From 04fc6c4af0e9487c6a8551d475f687a01d051cab Mon Sep 17 00:00:00 2001 From: Vratin Srivastava Date: Sat, 9 Sep 2023 19:37:05 -0400 Subject: [PATCH 01/16] added parser for mmtf files and objects --- prody/proteins/mmtffile.py | 256 +++++++++++++++++++++++++++++++++++++ 1 file changed, 256 insertions(+) create mode 100644 prody/proteins/mmtffile.py diff --git a/prody/proteins/mmtffile.py b/prody/proteins/mmtffile.py new file mode 100644 index 000000000..d3e6e6efe --- /dev/null +++ b/prody/proteins/mmtffile.py @@ -0,0 +1,256 @@ +from numbers import Number +import os.path +from collections import OrderedDict + +from prody.atomic import AtomGroup +from prody.atomic import flags +from prody.atomic import ATOMIC_FIELDS + +from prody.utilities import openFile, isListLike, copy +from prody import LOGGER + +import struct as st +import numpy as np + +try: + from mmtf import fetch, parse + import mmtf +except: + print("Install mmtf to read in mmtf structure objects (e.g. pip install mmtf-python)") + +#function to parse mmtf files or mmtf structure objects +def parseMMTF(mmtf_struc, **kwargs): + + chain = kwargs.pop('chain', None) + title = kwargs.get('title', None) + + if type(mmtf_struc)==str: + if not mmtf_struc.endswith(".mmtf") and not mmtf_struc.endswith(".mmtf.gz"): #entering just the pdb id + if len(mmtf_struc) == 5 and mmtf_struc.isalnum(): + if chain is None: + chain = mmtf_struc[-1] + mmtf_struc = mmtf_struc[:4] + else: + raise ValueError('Please provide chain as a keyword argument ' + 'or part of the PDB ID, not both') + else: + chain = chain + + if len(mmtf_struc) == 4 and mmtf_struc.isalnum(): + if title is None: + title = mmtf_struc + kwargs['title'] = title + structure = fetch(mmtf_struc) + if structure is None: + raise IOError('mmtf file for {0} could not be downloaded.' + .format(mmtf_struc)) + mmtf_struc = structure + else: + raise IOError('{0} is not a valid filename or a valid PDB ' + 'identifier.'.format(mmtf_struc)) + + else: #entering the mmtf file name + structure=parse(mmtf_struc) + if structure is None: + raise IOError('mmtf file for {0} could not be downloaded.' + .format(mmtf_struc)) + mmtf_struc = structure + title = mmtf_struc.structure_id + + #if none of the above loops are entered, user should have passed a mmtf structure object + + if title is None: + title = mmtf_struc.structure_id + + result = _parseMMTF(mmtf_struc, chain=chain, **kwargs) + + return result + +def _parseMMTF(mmtf_struc, **kwargs): + + ag = AtomGroup() + model = kwargs.get('model') + subset = kwargs.get('subset') + chain = kwargs.get('chain') + altloc = kwargs.get('altloc', 'A') + header = kwargs.get('header', False) + assert isinstance(header, bool), 'header must be a boolean' + + if model is not None: + if isinstance(model, int): + if model < 0: + raise ValueError('model must be greater than 0') + else: + raise TypeError('model must be an integer, {0} is invalid' + .format(str(model))) + title_suffix = '' + + biomol = kwargs.get('biomol', False) + hd = set_header(mmtf_struc) + ag = set_info(ag, mmtf_struc) + + if ag.numAtoms() > 0: + LOGGER.report('{0} atoms and {1} coordinate set(s) were ' + 'parsed in %.2fs.'.format(ag.numAtoms(), + ag.numCoordsets())) + else: + ag = None + LOGGER.warn('Atomic data could not be parsed, please ' + 'check the input file.') + + + + if ag is not None and isinstance(hd, dict): + if biomol: + ag = buildBiomolecules(hd, ag) + if isinstance(ag, list): + LOGGER.info('Biomolecular transformations were applied, {0} ' + 'biomolecule(s) are returned.'.format(len(ag))) + else: + LOGGER.info('Biomolecular transformations were applied to the ' + 'coordinate data.') + + if header: + return ag, hd + else: + return ag + + +def set_header(data_api): + + #get the transform here and convert it to the format that prody wants + assembly = data_api.bio_assembly[0] + chain_list = data_api.chain_name_list + assembly = bio_transform(assembly, chain_list) + + header = { + 'r_work': data_api.r_work, + 'r_free': data_api.r_free, + 'resolution': data_api.resolution, + 'title': data_api.title, + 'deposition_date': data_api.deposition_date, + 'release_date': data_api.release_date, + 'experimental_methods': data_api.experimental_methods, + 'biomoltrans': assembly + } + + return header + +def bio_transform(input_data, chain_list): + + output_dict = {} + index = input_data['name'] + transforms=[] + + for item in input_data['transformList']: + chains = list(set([chain_list[i] for i in item['chainIndexList']]))[::-1] + transforms.append(chains) + for i in range(0, len(item['matrix'])-4, 4): + string_slice = item['matrix'][i:i+4] + formatted_string = ' '.join(map(str, string_slice)) + transforms.append(formatted_string) + + output_dict[index]=transforms + + return output_dict + +def set_info(atomgroup, mmtf_data): + + mmtfHETATMtypes = set([ + "D-SACCHARIDE", + "D-SACCHARIDE 1,4 AND 1,4 LINKING", + "D-SACCHARIDE 1,4 AND 1,6 LINKING", + "L-SACCHARIDE", + "L-SACCHARIDE 1,4 AND 1,4 LINKING", + "L-SACCHARIDE 1,4 AND 1,6 LINKING", + "NON-POLYMER", + "OTHER", + "PEPTIDE-LIKE", + "SACCHARIDE"]) + + asize = mmtf_data.num_atoms + fields = OrderedDict() + + x = mmtf_data.x_coord_list + y = mmtf_data.y_coord_list + z = mmtf_data.z_coord_list + coords = np.array([x, y, z]).T + + # Initialize arrays for atom properties + atom_names = np.empty(asize, dtype=ATOMIC_FIELDS['name'].dtype) + resnames = np.empty(asize, dtype=ATOMIC_FIELDS['resname'].dtype) + resnums = np.empty(asize, dtype=ATOMIC_FIELDS['resnum'].dtype) + chainids = np.empty(asize, dtype=ATOMIC_FIELDS['chain'].dtype) + segnames = np.empty(asize, dtype=ATOMIC_FIELDS['segment'].dtype) + hetero = np.zeros(asize, dtype=bool) + termini = np.zeros(asize, dtype=bool) + altlocs = np.empty(asize, dtype=ATOMIC_FIELDS['altloc'].dtype) + icodes = np.empty(asize, dtype=ATOMIC_FIELDS['icode'].dtype) + serials = np.empty(asize, dtype=ATOMIC_FIELDS['serial'].dtype) + elements = np.empty(asize, dtype=ATOMIC_FIELDS['element'].dtype) + bfactors = np.empty(asize, dtype=ATOMIC_FIELDS['beta'].dtype) + occupancies = np.empty(asize, dtype=ATOMIC_FIELDS['occupancy'].dtype) + + modelIndex = 0 + chainIndex = 0 + groupIndex = 0 + atomIndex = 0 + + #traverse models + for modelChainCount in mmtf_data.chains_per_model: + chain_name_list = mmtf_data.chain_name_list + + #traverse chains + for k in range(modelChainCount): + chainGroupCount = mmtf_data.groups_per_chain[chainIndex] + + #traverse groups + for _ in range(chainGroupCount): + group = mmtf_data.group_list[mmtf_data.group_type_list[groupIndex]] + groupAtomCount = len(group.get('atomNameList')) + + #traverse atoms + for i in range(groupAtomCount): + bfactors[atomIndex] = mmtf_data.b_factor_list[atomIndex] + altlocs[atomIndex] = mmtf_data.alt_loc_list[atomIndex] + occupancies[atomIndex] = mmtf_data.occupancy_list[atomIndex] + atom_names[atomIndex] = group.get('atomNameList')[i] + elements[atomIndex] = group.get('elementList')[i] + resnames[atomIndex] = group.get('groupName') + resnums[atomIndex] = mmtf_data.group_id_list[groupIndex] + icodes[atomIndex] = mmtf_data.ins_code_list[groupIndex] + chainids[atomIndex] = chain_name_list[k] + if group.get('chemCompType') in mmtfHETATMtypes: + hetero[atomIndex] = True + serials[atomIndex] = atomIndex + 1 + segnames[atomIndex]='' + + atomIndex += 1 + + groupIndex += 1 + chainIndex += 1 + modelIndex += 1 + + #detect termini based on chain changes + termini[:-1] = chainids[1:] != chainids[:-1] + termini[-1] = True #the last atom is always a terminus + + atomgroup.setCoords(coords) + atomgroup.setNames(atom_names) + atomgroup.setResnums(resnums) + atomgroup.setResnames(resnames) + atomgroup.setChids(chainids) + atomgroup.setElements(elements) + from prody.utilities.misctools import getMasses + atomgroup.setMasses(getMasses(elements)) + atomgroup.setBetas(bfactors) + atomgroup.setAltlocs(altlocs) + atomgroup.setOccupancies(occupancies) + atomgroup.setFlags('hetatm', hetero) + atomgroup.setFlags('pdbter', termini) + atomgroup.setFlags('selpdbter', termini) + atomgroup.setSerials(serials) + atomgroup.setIcodes(icodes) + atomgroup.setSegnames(segnames) + + return atomgroup \ No newline at end of file From b9804496f03317a052b36321ab845e7f3f8007d5 Mon Sep 17 00:00:00 2001 From: Vratin Srivastava Date: Sat, 9 Sep 2023 19:41:35 -0400 Subject: [PATCH 02/16] parser for mmtf data --- prody/proteins/mmtffile.py | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/prody/proteins/mmtffile.py b/prody/proteins/mmtffile.py index d3e6e6efe..2abf6f033 100644 --- a/prody/proteins/mmtffile.py +++ b/prody/proteins/mmtffile.py @@ -1,3 +1,8 @@ +# -*- coding: utf-8 -*- +"""This module defines functions for parsing MMTF files and structure objects. + +.. MMTF files: https://mmtf.rcsb.org""" + from numbers import Number import os.path from collections import OrderedDict @@ -18,7 +23,6 @@ except: print("Install mmtf to read in mmtf structure objects (e.g. pip install mmtf-python)") -#function to parse mmtf files or mmtf structure objects def parseMMTF(mmtf_struc, **kwargs): chain = kwargs.pop('chain', None) From c838b8c65535f39f2bee3bde52032a94bf219743 Mon Sep 17 00:00:00 2001 From: Vratin Srivastava Date: Sat, 9 Sep 2023 19:45:47 -0400 Subject: [PATCH 03/16] mmtf-python requirement added for mmtf parser --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index f8a3b4541..b26ee3560 100644 --- a/setup.py +++ b/setup.py @@ -14,7 +14,7 @@ if sys.version_info[:2] == (2, 7) or sys.version_info[:2] <= (3, 5): INSTALL_REQUIRES=['numpy>=1.10,<1.24', 'biopython<=1.76', 'pyparsing', 'scipy'] else: - INSTALL_REQUIRES=['numpy>=1.10,<1.24', 'biopython<=1.79', 'pyparsing', 'scipy', 'setuptools'] + INSTALL_REQUIRES=['numpy>=1.10,<1.24', 'biopython<=1.79', 'pyparsing', 'scipy', 'setuptools', 'mmtf-python'] if sys.version_info[0] == 3: if sys.version_info[1] < 6: From 8f4a015da4a4439be9c6c93a5ab3f3ca93d84081 Mon Sep 17 00:00:00 2001 From: Vratin Srivastava <114123331+vratins@users.noreply.github.com> Date: Sat, 9 Sep 2023 20:36:58 -0400 Subject: [PATCH 04/16] Update mmtffile.py Added ImportError to except block for import mmtf. --- prody/proteins/mmtffile.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/prody/proteins/mmtffile.py b/prody/proteins/mmtffile.py index 2abf6f033..70bacfaba 100644 --- a/prody/proteins/mmtffile.py +++ b/prody/proteins/mmtffile.py @@ -20,7 +20,7 @@ try: from mmtf import fetch, parse import mmtf -except: +except ImportError: print("Install mmtf to read in mmtf structure objects (e.g. pip install mmtf-python)") def parseMMTF(mmtf_struc, **kwargs): @@ -257,4 +257,4 @@ def set_info(atomgroup, mmtf_data): atomgroup.setIcodes(icodes) atomgroup.setSegnames(segnames) - return atomgroup \ No newline at end of file + return atomgroup From 24a9d7171af8ebd9f2bd03c6b43f2e3cf671050b Mon Sep 17 00:00:00 2001 From: Vratin Srivastava <114123331+vratins@users.noreply.github.com> Date: Sat, 9 Sep 2023 20:38:10 -0400 Subject: [PATCH 05/16] Update setup.py Removed hard dependency for mmtf-python --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index b26ee3560..f8a3b4541 100644 --- a/setup.py +++ b/setup.py @@ -14,7 +14,7 @@ if sys.version_info[:2] == (2, 7) or sys.version_info[:2] <= (3, 5): INSTALL_REQUIRES=['numpy>=1.10,<1.24', 'biopython<=1.76', 'pyparsing', 'scipy'] else: - INSTALL_REQUIRES=['numpy>=1.10,<1.24', 'biopython<=1.79', 'pyparsing', 'scipy', 'setuptools', 'mmtf-python'] + INSTALL_REQUIRES=['numpy>=1.10,<1.24', 'biopython<=1.79', 'pyparsing', 'scipy', 'setuptools'] if sys.version_info[0] == 3: if sys.version_info[1] < 6: From 10fdf6bba8807c479fba3a7361f219917c57e388 Mon Sep 17 00:00:00 2001 From: David Koes Date: Tue, 19 Sep 2023 15:53:24 -0400 Subject: [PATCH 06/16] Support for bonds, test cases, other fixes. Multi model still doesn't work --- prody/proteins/__init__.py | 4 ++ prody/proteins/mmtffile.py | 23 ++++++-- prody/tests/datafiles/1ubi.mmtf | Bin 0 -> 12899 bytes prody/tests/datafiles/2k39.mmtf | Bin 0 -> 1276491 bytes prody/tests/datafiles/__init__.py | 28 +++++++++- prody/tests/datafiles/mmtf3enl.mmtf | Bin 0 -> 45852 bytes prody/tests/proteins/test_mmtffile.py | 77 ++++++++++++++++++++++++++ 7 files changed, 127 insertions(+), 5 deletions(-) create mode 100644 prody/tests/datafiles/1ubi.mmtf create mode 100644 prody/tests/datafiles/2k39.mmtf create mode 100644 prody/tests/datafiles/mmtf3enl.mmtf create mode 100644 prody/tests/proteins/test_mmtffile.py diff --git a/prody/proteins/__init__.py b/prody/proteins/__init__.py index 3ab4250d6..efb22620a 100644 --- a/prody/proteins/__init__.py +++ b/prody/proteins/__init__.py @@ -204,6 +204,10 @@ from .pdbfile import * __all__.extend(pdbfile.__all__) +from . import mmtffile +from .mmtffile import * +__all__.extend(mmtffile.__all__) + from . import emdfile from .emdfile import * __all__.extend(emdfile.__all__) diff --git a/prody/proteins/mmtffile.py b/prody/proteins/mmtffile.py index 70bacfaba..423216b33 100644 --- a/prody/proteins/mmtffile.py +++ b/prody/proteins/mmtffile.py @@ -13,6 +13,8 @@ from prody.utilities import openFile, isListLike, copy from prody import LOGGER +from prody.utilities.misctools import getMasses +from .header import getHeaderDict, buildBiomolecules import struct as st import numpy as np @@ -23,6 +25,8 @@ except ImportError: print("Install mmtf to read in mmtf structure objects (e.g. pip install mmtf-python)") +__all__ = ['parseMMTF'] + def parseMMTF(mmtf_struc, **kwargs): chain = kwargs.pop('chain', None) @@ -71,13 +75,15 @@ def parseMMTF(mmtf_struc, **kwargs): return result def _parseMMTF(mmtf_struc, **kwargs): - + LOGGER.timeit() ag = AtomGroup() model = kwargs.get('model') subset = kwargs.get('subset') chain = kwargs.get('chain') altloc = kwargs.get('altloc', 'A') header = kwargs.get('header', False) + get_bonds = kwargs.get('bonds',False) + assert isinstance(header, bool), 'header must be a boolean' if model is not None: @@ -91,7 +97,7 @@ def _parseMMTF(mmtf_struc, **kwargs): biomol = kwargs.get('biomol', False) hd = set_header(mmtf_struc) - ag = set_info(ag, mmtf_struc) + ag = set_info(ag, mmtf_struc, get_bonds) if ag.numAtoms() > 0: LOGGER.report('{0} atoms and {1} coordinate set(s) were ' @@ -158,7 +164,7 @@ def bio_transform(input_data, chain_list): return output_dict -def set_info(atomgroup, mmtf_data): +def set_info(atomgroup, mmtf_data,get_bonds=False): mmtfHETATMtypes = set([ "D-SACCHARIDE", @@ -245,7 +251,6 @@ def set_info(atomgroup, mmtf_data): atomgroup.setResnames(resnames) atomgroup.setChids(chainids) atomgroup.setElements(elements) - from prody.utilities.misctools import getMasses atomgroup.setMasses(getMasses(elements)) atomgroup.setBetas(bfactors) atomgroup.setAltlocs(altlocs) @@ -256,5 +261,15 @@ def set_info(atomgroup, mmtf_data): atomgroup.setSerials(serials) atomgroup.setIcodes(icodes) atomgroup.setSegnames(segnames) + atomgroup.setTitle(mmtf_data.structure_id) + + if get_bonds and hasattr(mmtf_data,'bond_atom_list'): + allbonds = np.array(mmtf_data.bond_atom_list).reshape(-1,2) + nonpeptide = [] + #irgnore bonds between C and N in adjacent residues + for a,b in allbonds: + if atom_names[a] != 'N' or atom_names[b] != 'C' or resnums[a]-resnums[b] != 1: + nonpeptide.append((a,b)) + atomgroup.setBonds(nonpeptide) return atomgroup diff --git a/prody/tests/datafiles/1ubi.mmtf b/prody/tests/datafiles/1ubi.mmtf new file mode 100644 index 0000000000000000000000000000000000000000..fc96329fa1f4f6008325089571832f102d9c26f2 GIT binary patch literal 12899 zcmeHucU%=m*Z<7y?!6bVpdzscyNSI=jRh|V$fcu(#D;LKC<81wr1J@0?NO}@&N*}D?B3&TR5xw- z@T7q~%?XJ^;zw*~-lSQRW?QtH(1iHd(J|(PA9@4_28Z+t-ZWzL@UHPAViV7i{@S^B zQv7f@PumRVehKlTM<$+Kp`9BCM-Lg1NVL8~$iWbMy&_eRGel&?7Z*WOR(#K{z$kt3~ry|8E*SVn~wF 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'1ubi': { 'pdb': '1ubi', 'file': 'pdb1ubi.pdb', + 'mmtf': '1ubi.mmtf', 'n_atoms': 683, 'models': 1 }, + '1ubi_mmtf': { + 'pdb': '1UBI', + 'file': '1ubi.mmtf', + 'n_atoms': 683, + 'models': 1 + }, '2nwl': { 'pdb': '2nwl', 'file': 'pdb2nwl-opm.pdb', @@ -66,6 +73,24 @@ 'n_atoms': 76, 'models': 116 }, + '2k39_mmtf': { + 'pdb': '2K39', + 'file': '2k39.mmtf', + 'n_atoms': 1231, + 'models': 116 + }, + '3enl_pdb': { + 'pdb': '3enl', + 'file': 'pdb3enl.pdb', + 'n_atoms': 7294, + 'models': 1 + }, + '3enl_mmtf': { + 'pdb': '3ENL', + 'file': 'mmtf3enl.mmtf', + 'n_atoms': 7294, + 'models': 1 + }, '1ubi_ca': { 'pdb': '1ubi', 'file': 'pdb1ubi_ca.pdb', @@ -220,6 +245,7 @@ PARSERS = { '.dcd': parseDCD, '.pdb': parsePDB, '.cif': parseMMCIF, + '.mmtf': parseMMTF, '.coo': parseSparseMatrix, '.dat': parseArray, '.txt': np.loadtxt, '.gz': lambda fn, **kwargs: PARSERS[splitext(fn)[1]](fn, **kwargs) diff --git a/prody/tests/datafiles/mmtf3enl.mmtf b/prody/tests/datafiles/mmtf3enl.mmtf new file mode 100644 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zMI?qLr$)xcL?^~1MMo#30?3ev*yM=Nu!xA{khs{W_@t09qzsLTN)8Q)iVg{hhzyO0 zPL7U>hzV^Gl9(749v+Pssi85U;nA^iv5BAC6_XSZ7taAojZBPbg>vJfk`trCLgP?v zXlR?TkT!{t$e0uo5fvYm91FGbD|MkBL zSvw+aX!_vK+5i6eZ=MnUlW|+O^nnA0^y2Imid>t58#Jg Date: Tue, 19 Sep 2023 17:01:16 -0400 Subject: [PATCH 07/16] Better handling of altlocs Plus more tests --- prody/proteins/mmtffile.py | 52 +- prody/tests/datafiles/1pwc.mmtf | Bin 0 -> 44602 bytes prody/tests/datafiles/1pwc.pdb | 6796 +++++++++++++++++++++++++ prody/tests/datafiles/__init__.py | 12 + prody/tests/datafiles/pdb3enl.pdb | 4178 +++++++++++++++ prody/tests/proteins/test_mmtffile.py | 33 + 6 files changed, 11050 insertions(+), 21 deletions(-) create mode 100644 prody/tests/datafiles/1pwc.mmtf create mode 100644 prody/tests/datafiles/1pwc.pdb create mode 100644 prody/tests/datafiles/pdb3enl.pdb diff --git a/prody/proteins/mmtffile.py b/prody/proteins/mmtffile.py index 423216b33..f981b36d3 100644 --- a/prody/proteins/mmtffile.py +++ b/prody/proteins/mmtffile.py @@ -80,9 +80,9 @@ def _parseMMTF(mmtf_struc, **kwargs): model = kwargs.get('model') subset = kwargs.get('subset') chain = kwargs.get('chain') - altloc = kwargs.get('altloc', 'A') header = kwargs.get('header', False) get_bonds = kwargs.get('bonds',False) + altloc_sel = kwargs.get('altloc', 'A') assert isinstance(header, bool), 'header must be a boolean' @@ -97,7 +97,7 @@ def _parseMMTF(mmtf_struc, **kwargs): biomol = kwargs.get('biomol', False) hd = set_header(mmtf_struc) - ag = set_info(ag, mmtf_struc, get_bonds) + ag = set_info(ag, mmtf_struc, get_bonds, altloc_sel) if ag.numAtoms() > 0: LOGGER.report('{0} atoms and {1} coordinate set(s) were ' @@ -164,7 +164,7 @@ def bio_transform(input_data, chain_list): return output_dict -def set_info(atomgroup, mmtf_data,get_bonds=False): +def set_info(atomgroup, mmtf_data,get_bonds=False,altloc_sel='A'): mmtfHETATMtypes = set([ "D-SACCHARIDE", @@ -245,31 +245,41 @@ def set_info(atomgroup, mmtf_data,get_bonds=False): termini[:-1] = chainids[1:] != chainids[:-1] termini[-1] = True #the last atom is always a terminus - atomgroup.setCoords(coords) - atomgroup.setNames(atom_names) - atomgroup.setResnums(resnums) - atomgroup.setResnames(resnames) - atomgroup.setChids(chainids) - atomgroup.setElements(elements) - atomgroup.setMasses(getMasses(elements)) - atomgroup.setBetas(bfactors) - atomgroup.setAltlocs(altlocs) - atomgroup.setOccupancies(occupancies) - atomgroup.setFlags('hetatm', hetero) - atomgroup.setFlags('pdbter', termini) - atomgroup.setFlags('selpdbter', termini) - atomgroup.setSerials(serials) - atomgroup.setIcodes(icodes) - atomgroup.setSegnames(segnames) + mask = np.full(asize, True, dtype=bool) + if altloc_sel != 'all': + #mask out any unwanted alternative locations + mask = (altlocs == '') | (altlocs == altloc_sel) + + atomgroup.setCoords(coords[mask]) + atomgroup.setNames(atom_names[mask]) + atomgroup.setResnums(resnums[mask]) + atomgroup.setResnames(resnames[mask]) + atomgroup.setChids(chainids[mask]) + atomgroup.setElements(elements[mask]) + atomgroup.setMasses(getMasses(elements[mask])) + atomgroup.setBetas(bfactors[mask]) + atomgroup.setAltlocs(altlocs[mask]) + atomgroup.setOccupancies(occupancies[mask]) + atomgroup.setFlags('hetatm', hetero[mask]) + atomgroup.setFlags('pdbter', termini[mask]) + atomgroup.setFlags('selpdbter', termini[mask]) + atomgroup.setSerials(serials[mask]) + atomgroup.setIcodes(icodes[mask]) + atomgroup.setSegnames(segnames[mask]) atomgroup.setTitle(mmtf_data.structure_id) if get_bonds and hasattr(mmtf_data,'bond_atom_list'): + #have to remap any masked out atoms + remaining = np.arange(asize)[mask] + remap = np.full(asize,-1) + remap[remaining] = np.arange(len(remaining)) allbonds = np.array(mmtf_data.bond_atom_list).reshape(-1,2) nonpeptide = [] #irgnore bonds between C and N in adjacent residues for a,b in allbonds: - if atom_names[a] != 'N' or atom_names[b] != 'C' or resnums[a]-resnums[b] != 1: - nonpeptide.append((a,b)) + if mask[a] and mask[b]: + if 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z10sV1!egUj0|O(1%^_`~!eUwn#|8vO2bhDS147JZb6|8(bZl@;tT{9$C?+5_HY_YE zEHR#O+a@y592*iDY;F?}5gZq0jtp!a5F8wUI>neeI1i!g@=M4Q7}#{>km3J#4loBvzK z?P(X;I>INYU39pQpATL`T7`s#g+%xS7j)M8pC=j{U)vsIE->+_Czq<9-rzR#Pf@bW&4McD~|INwqY3)GI LV21@qe`fw4kiJe6 literal 0 HcmV?d00001 diff --git a/prody/tests/datafiles/1pwc.pdb b/prody/tests/datafiles/1pwc.pdb new file mode 100644 index 000000000..d7ad5c89d --- /dev/null +++ b/prody/tests/datafiles/1pwc.pdb @@ -0,0 +1,6796 @@ +HEADER HYDROLASE 01-JUL-03 1PWC +TITLE PENICILLOYL ACYL ENZYME COMPLEX OF THE STREPTOMYCES R61 DD-PEPTIDASE +TITLE 2 WITH PENICILLIN G +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE; +COMPND 3 CHAIN: A; +COMPND 4 FRAGMENT: DD-PEPTIDASE; +COMPND 5 SYNONYM: DD-PEPTIDASE, DD-CARBOXYPEPTIDASE; +COMPND 6 EC: 3.4.16.4 +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; +SOURCE 3 ORGANISM_TAXID: 31952; +SOURCE 4 STRAIN: R61 +KEYWDS BETA-LACTAM, ANTIBIOTICS, PENICILLIN BINDING PROTEIN, ENZYME, +KEYWDS 2 PEPTIDOGLYCAN, HYDROLASE +EXPDTA X-RAY DIFFRACTION +AUTHOR N.R.SILVAGGI,H.R.JOSEPHINE,R.F.PRATT,J.A.KELLY +REVDAT 5 16-AUG-23 1PWC 1 REMARK LINK +REVDAT 4 13-JUL-11 1PWC 1 VERSN +REVDAT 3 24-FEB-09 1PWC 1 VERSN +REVDAT 2 19-APR-05 1PWC 1 JRNL +REVDAT 1 13-JUL-04 1PWC 0 +JRNL AUTH N.R.SILVAGGI,H.R.JOSEPHINE,A.P.KUZIN,R.NAGARAJAN,R.F.PRATT, +JRNL AUTH 2 J.A.KELLY +JRNL TITL CRYSTAL STRUCTURES OF COMPLEXES BETWEEN THE R61 DD-PEPTIDASE +JRNL TITL 2 AND PEPTIDOGLYCAN-MIMETIC BETA-LACTAMS: A NON-COVALENT +JRNL TITL 3 COMPLEX WITH A "PERFECT PENICILLIN" +JRNL REF J.MOL.BIOL. V. 345 521 2005 +JRNL REFN ISSN 0022-2836 +JRNL PMID 15581896 +JRNL DOI 10.1016/J.JMB.2004.10.076 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH M.A.MCDONOUGH,J.W.ANDERSON,N.R.SILVAGGI,R.F.PRATT,J.R.KNOX, +REMARK 1 AUTH 2 J.A.KELLY +REMARK 1 TITL STRUCTURES OF TWO KINETIC INTERMEDIATES REVEAL SPECIES +REMARK 1 TITL 2 SPECIFICITY OF PENICILLIN-BINDING PROTEINS +REMARK 1 REF J.MOL.BIOL. V. 322 111 2002 +REMARK 1 REFN ISSN 0022-2836 +REMARK 1 DOI 10.1016/S0022-2836(02)00742-8 +REMARK 1 REFERENCE 2 +REMARK 1 AUTH W.LEE,M.A.MCDONOUGH,L.KOTRA,Z.H.LI,N.R.SILVAGGI,Y.TAKEDA, +REMARK 1 AUTH 2 J.A.KELLY,S.MOBASHERY +REMARK 1 TITL A 1.2-A SNAPSHOT OF THE FINAL STEP OF BACTERIAL CELL WALL +REMARK 1 TITL 2 BIOSYNTHESIS +REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 98 1427 2001 +REMARK 1 REFN ISSN 0027-8424 +REMARK 1 DOI 10.1073/PNAS.98.4.1427 +REMARK 1 REFERENCE 3 +REMARK 1 AUTH J.A.KELLY,A.P.KUZIN +REMARK 1 TITL THE REFINED CRYSTALLOGRAPHIC STRUCTURE OF A DD-PEPTIDASE +REMARK 1 TITL 2 PENICILLIN-TARGET ENZYME AT 1.6 A RESOLUTION +REMARK 1 REF J.MOL.BIOL. V. 254 223 1995 +REMARK 1 REFN ISSN 0022-2836 +REMARK 1 DOI 10.1006/JMBI.1995.0613 +REMARK 2 +REMARK 2 RESOLUTION. 1.10 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : SHELXL-97 +REMARK 3 AUTHORS : G.M.SHELDRICK +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.10 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : 92.6 +REMARK 3 CROSS-VALIDATION METHOD : FREE R +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT (NO CUTOFF). +REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : 0.124 +REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.120 +REMARK 3 FREE R VALUE (NO CUTOFF) : 0.148 +REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : 5.100 +REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : 6469 +REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 127466 +REMARK 3 +REMARK 3 FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F). +REMARK 3 R VALUE (WORKING + TEST SET, F>4SIG(F)) : 0.119 +REMARK 3 R VALUE (WORKING SET, F>4SIG(F)) : 0.115 +REMARK 3 FREE R VALUE (F>4SIG(F)) : 0.143 +REMARK 3 FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : 5.100 +REMARK 3 FREE R VALUE TEST SET COUNT (F>4SIG(F)) : 5816 +REMARK 3 TOTAL NUMBER OF REFLECTIONS (F>4SIG(F)) : 114002 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 2602 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 23 +REMARK 3 SOLVENT ATOMS : 507 +REMARK 3 +REMARK 3 MODEL REFINEMENT. +REMARK 3 OCCUPANCY SUM OF NON-HYDROGEN ATOMS : 3112.5 +REMARK 3 OCCUPANCY SUM OF HYDROGEN ATOMS : 0.00 +REMARK 3 NUMBER OF DISCRETELY DISORDERED RESIDUES : 18 +REMARK 3 NUMBER OF LEAST-SQUARES PARAMETERS : 28737 +REMARK 3 NUMBER OF RESTRAINTS : 0 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM RESTRAINT TARGET VALUES. +REMARK 3 BOND LENGTHS (A) : 0.029 +REMARK 3 ANGLE DISTANCES (A) : 0.030 +REMARK 3 SIMILAR DISTANCES (NO TARGET VALUES) (A) : 0.000 +REMARK 3 DISTANCES FROM RESTRAINT PLANES (A) : 0.032 +REMARK 3 ZERO CHIRAL VOLUMES (A**3) : 0.084 +REMARK 3 NON-ZERO CHIRAL VOLUMES (A**3) : 0.088 +REMARK 3 ANTI-BUMPING DISTANCE RESTRAINTS (A) : 0.039 +REMARK 3 RIGID-BOND ADP COMPONENTS (A**2) : 0.006 +REMARK 3 SIMILAR ADP COMPONENTS (A**2) : 0.036 +REMARK 3 APPROXIMATELY ISOTROPIC ADPS (A**2) : 0.094 +REMARK 3 +REMARK 3 BULK SOLVENT MODELING. +REMARK 3 METHOD USED: NULL +REMARK 3 +REMARK 3 STEREOCHEMISTRY TARGET VALUES : ENGH AND HUBER +REMARK 3 SPECIAL CASE: NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: ANISOTROPIC REFINEMENT REDUCED FREE R +REMARK 3 (NO CUTOFF) BY 0.026. +REMARK 4 +REMARK 4 1PWC COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-JUL-03. +REMARK 100 THE DEPOSITION ID IS D_1000019631. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 14-APR-03 +REMARK 200 TEMPERATURE (KELVIN) : 100.0 +REMARK 200 PH : 6.80 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : NSLS +REMARK 200 BEAMLINE : X12C +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.00 +REMARK 200 MONOCHROMATOR : SI(111) +REMARK 200 OPTICS : MIRRORS +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : BRANDEIS - B4 +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO +REMARK 200 DATA SCALING SOFTWARE : SCALEPACK +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 131101 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.100 +REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 94.1 +REMARK 200 DATA REDUNDANCY : 4.300 +REMARK 200 R MERGE (I) : 0.05800 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 14.4000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.10 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.14 +REMARK 200 COMPLETENESS FOR SHELL (%) : 64.1 +REMARK 200 DATA REDUNDANCY IN SHELL : 2.50 +REMARK 200 R MERGE FOR SHELL (I) : 0.20900 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 3.500 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS +REMARK 200 SOFTWARE USED: CNS +REMARK 200 STARTING MODEL: 3PTE +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 45.55 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.94 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 20% PEG 8000, 50MM SODIUM PHOSPHATE, +REMARK 280 PH 6.80, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 25.45000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 49.80000 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 33.35000 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 49.80000 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 25.45000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 33.35000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 ALA A 1 +REMARK 465 ASP A 2 +REMARK 465 THR A 348 +REMARK 465 THR A 349 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 ARG A 50 NE - CZ - NH2 ANGL. DEV. = -3.9 DEGREES +REMARK 500 ARG A 99 CD - NE - CZ ANGL. DEV. = 10.6 DEGREES +REMARK 500 ARG A 99 NH1 - CZ - NH2 ANGL. DEV. = -7.0 DEGREES +REMARK 500 ARG A 99 NE - CZ - NH1 ANGL. DEV. = 9.4 DEGREES +REMARK 500 ARG A 109 NE - CZ - NH2 ANGL. DEV. = -4.0 DEGREES +REMARK 500 TYR A 137 CB - CG - CD2 ANGL. DEV. = -4.6 DEGREES +REMARK 500 TYR A 137 CB - CG - CD2 ANGL. DEV. = -4.6 DEGREES +REMARK 500 TYR A 137 CB - CG - CD1 ANGL. DEV. = 5.9 DEGREES +REMARK 500 TYR A 137 CB - CG - CD1 ANGL. DEV. = 4.0 DEGREES +REMARK 500 TYR A 183 CB - CG - CD1 ANGL. DEV. = 4.9 DEGREES +REMARK 500 GLU A 218 OE1 - CD - OE2 ANGL. DEV. = -7.2 DEGREES +REMARK 500 ASP A 248 CB - CG - OD1 ANGL. DEV. = 5.5 DEGREES +REMARK 500 ARG A 285 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES +REMARK 500 ARG A 285 NE - CZ - NH2 ANGL. DEV. = -6.4 DEGREES +REMARK 500 ARG A 286 NE - CZ - NH1 ANGL. DEV. = 4.7 DEGREES +REMARK 500 ARG A 286 NE - CZ - NH2 ANGL. DEV. = -5.8 DEGREES +REMARK 500 ARG A 287 NE - CZ - NH2 ANGL. DEV. = -6.2 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ILE A 187 -59.52 -134.17 +REMARK 500 GLN A 235 -120.71 51.52 +REMARK 500 ASN A 324 51.06 -91.63 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PNM A 400 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 1MPL RELATED DB: PDB +REMARK 900 CRYSTAL STRUCTURE OF PHOSPHONATE-INHIBITED D-ALA-D-ALA PEPTIDASE +REMARK 900 REVEALS AN ANALOG OF A TETRAHEDRAL TRANSITION STATE +REMARK 900 RELATED ID: 1IKG RELATED DB: PDB +REMARK 900 MICHAELIS COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH A SPECIFIC +REMARK 900 PEPTIDOGLYCAN SUBSTRATE FRAGMENT +REMARK 900 RELATED ID: 1IKI RELATED DB: PDB +REMARK 900 COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH THE PRODUCTS OF A +REMARK 900 SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT +DBREF 1PWC A 1 349 UNP P15555 DAC_STRSR 32 380 +SEQRES 1 A 349 ALA ASP LEU PRO ALA PRO ASP ASP THR GLY LEU GLN ALA +SEQRES 2 A 349 VAL LEU HIS THR ALA LEU SER GLN GLY ALA PRO GLY ALA +SEQRES 3 A 349 MET VAL ARG VAL ASP ASP ASN GLY THR ILE HIS GLN LEU +SEQRES 4 A 349 SER GLU GLY VAL ALA ASP ARG ALA THR GLY ARG ALA ILE +SEQRES 5 A 349 THR THR THR ASP ARG PHE ARG VAL GLY SER VAL THR LYS +SEQRES 6 A 349 SER PHE SER ALA VAL VAL LEU LEU GLN LEU VAL ASP GLU +SEQRES 7 A 349 GLY LYS LEU ASP LEU ASP ALA SER VAL ASN THR TYR LEU +SEQRES 8 A 349 PRO GLY LEU LEU PRO ASP ASP ARG ILE THR VAL ARG GLN +SEQRES 9 A 349 VAL MET SER HIS ARG SER GLY LEU TYR ASP TYR THR ASN +SEQRES 10 A 349 ASP MET PHE ALA GLN THR VAL PRO GLY PHE GLU SER VAL +SEQRES 11 A 349 ARG ASN LYS VAL PHE SER TYR GLN ASP LEU ILE THR LEU +SEQRES 12 A 349 SER LEU LYS HIS GLY VAL THR ASN ALA PRO GLY ALA ALA +SEQRES 13 A 349 TYR SER TYR SER ASN THR ASN PHE VAL VAL ALA GLY MET +SEQRES 14 A 349 LEU ILE GLU LYS LEU THR GLY HIS SER VAL ALA THR GLU +SEQRES 15 A 349 TYR GLN ASN ARG ILE PHE THR PRO LEU ASN LEU THR ASP +SEQRES 16 A 349 THR PHE TYR VAL HIS PRO ASP THR VAL ILE PRO GLY THR +SEQRES 17 A 349 HIS ALA ASN GLY TYR LEU THR PRO ASP GLU ALA GLY GLY +SEQRES 18 A 349 ALA LEU VAL ASP SER THR GLU GLN THR VAL SER TRP ALA +SEQRES 19 A 349 GLN SER ALA GLY ALA VAL ILE SER SER THR GLN ASP LEU +SEQRES 20 A 349 ASP THR PHE PHE SER ALA LEU MET SER GLY GLN LEU MET +SEQRES 21 A 349 SER ALA ALA GLN LEU ALA GLN MET GLN GLN TRP THR THR +SEQRES 22 A 349 VAL ASN SER THR GLN GLY TYR GLY LEU GLY LEU ARG ARG +SEQRES 23 A 349 ARG ASP LEU SER CYS GLY ILE SER VAL TYR GLY HIS THR +SEQRES 24 A 349 GLY THR VAL GLN GLY TYR TYR THR TYR ALA PHE ALA SER +SEQRES 25 A 349 LYS ASP GLY LYS ARG SER VAL THR ALA LEU ALA ASN THR +SEQRES 26 A 349 SER ASN ASN VAL ASN VAL LEU ASN THR MET ALA ARG THR +SEQRES 27 A 349 LEU GLU SER ALA PHE CYS GLY LYS PRO THR THR +HET PNM A 400 23 +HETNAM PNM OPEN FORM - PENICILLIN G +FORMUL 2 PNM C16 H20 N2 O4 S +FORMUL 3 HOH *507(H2 O) +HELIX 1 1 ASP A 7 GLN A 21 1 15 +HELIX 2 2 VAL A 63 GLU A 78 1 16 +HELIX 3 3 SER A 86 LEU A 91 1 6 +HELIX 4 4 THR A 101 SER A 107 1 7 +HELIX 5 5 TYR A 115 PHE A 120 1 6 +HELIX 6 6 GLN A 122 ARG A 131 1 10 +HELIX 7 7 SER A 136 LYS A 146 1 11 +HELIX 8 8 SER A 160 GLY A 176 1 17 +HELIX 9 9 SER A 178 ILE A 187 1 10 +HELIX 10 10 ALA A 234 GLY A 238 5 5 +HELIX 11 11 SER A 243 SER A 256 1 14 +HELIX 12 12 SER A 261 GLN A 269 1 9 +HELIX 13 13 ASN A 328 CYS A 344 1 17 +SHEET 1 A 8 THR A 35 GLY A 42 0 +SHEET 2 A 8 GLY A 25 ASP A 32 -1 N ASP A 32 O THR A 35 +SHEET 3 A 8 ARG A 317 ALA A 323 -1 O SER A 318 N ASP A 31 +SHEET 4 A 8 TYR A 305 ALA A 311 -1 N TYR A 306 O ALA A 323 +SHEET 5 A 8 SER A 294 VAL A 302 -1 N VAL A 302 O TYR A 305 +SHEET 6 A 8 ARG A 285 ASP A 288 -1 N ARG A 285 O GLY A 297 +SHEET 7 A 8 GLN A 278 TYR A 280 -1 N GLY A 279 O ARG A 286 +SHEET 8 A 8 THR A 272 ASN A 275 -1 N THR A 272 O TYR A 280 +SHEET 1 B 2 PHE A 58 ARG A 59 0 +SHEET 2 B 2 ILE A 241 SER A 242 -1 O SER A 242 N PHE A 58 +SHEET 1 C 3 VAL A 224 ASP A 225 0 +SHEET 2 C 3 TYR A 213 LEU A 214 -1 N LEU A 214 O VAL A 224 +SHEET 3 C 3 THR A 325 SER A 326 1 O SER A 326 N TYR A 213 +SSBOND 1 CYS A 291 CYS A 344 1555 1555 2.07 +LINK OG SER A 62 C7 APNM A 400 1555 1555 1.43 +CISPEP 1 HIS A 200 PRO A 201 0 1.65 +SITE 1 AC1 15 SER A 62 ASP A 98 ARG A 99 PHE A 120 +SITE 2 AC1 15 TYR A 159 ASN A 161 TRP A 233 ARG A 285 +SITE 3 AC1 15 HIS A 298 THR A 299 GLY A 300 THR A 301 +SITE 4 AC1 15 HOH A1108 HOH A1388 HOH A1389 +CRYST1 50.900 66.700 99.600 90.00 90.00 90.00 P 21 21 21 4 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.019646 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.014993 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.010040 0.00000 +ATOM 1 N LEU A 3 16.861 18.383 40.505 1.00 18.46 N +ANISOU 1 N LEU A 3 1683 1898 3434 159 198 -377 N +ATOM 2 CA LEU A 3 18.001 17.478 40.585 1.00 16.41 C +ANISOU 2 CA LEU A 3 1574 1962 2700 163 218 -557 C +ATOM 3 C LEU A 3 19.292 18.066 40.048 1.00 14.67 C +ANISOU 3 C LEU A 3 1773 1632 2170 189 246 -325 C +ATOM 4 O LEU A 3 19.287 18.923 39.152 1.00 17.72 O +ANISOU 4 O LEU A 3 3003 1498 2232 291 264 -283 O +ATOM 5 CB LEU A 3 17.723 16.238 39.717 1.00 16.70 C +ANISOU 5 CB LEU A 3 1570 2241 2533 -103 622 -731 C +ATOM 6 CG LEU A 3 16.484 15.409 40.119 1.00 17.92 C +ANISOU 6 CG LEU A 3 2165 2348 2295 -463 635 -397 C +ATOM 7 CD1 LEU A 3 16.131 14.433 39.012 1.00 24.68 C +ANISOU 7 CD1 LEU A 3 2562 3310 3507 -946 881 -1511 C +ATOM 8 CD2 LEU A 3 16.709 14.685 41.428 1.00 26.50 C +ANISOU 8 CD2 LEU A 3 2235 4531 3302 -348 199 992 C +ATOM 9 N PRO A 4 20.429 17.562 40.553 1.00 15.10 N +ANISOU 9 N PRO A 4 1684 1973 2081 218 259 -484 N +ATOM 10 CA PRO A 4 21.749 17.900 40.016 1.00 14.17 C +ANISOU 10 CA PRO A 4 1657 1608 2121 83 167 -815 C +ATOM 11 C PRO A 4 21.799 17.565 38.532 1.00 12.61 C +ANISOU 11 C PRO A 4 1213 1504 2074 -119 23 -612 C +ATOM 12 O PRO A 4 21.041 16.685 38.070 1.00 11.65 O +ANISOU 12 O PRO A 4 1383 1078 1965 65 -292 -338 O +ATOM 13 CB PRO A 4 22.648 16.962 40.799 1.00 15.80 C +ANISOU 13 CB PRO A 4 1772 2329 1902 277 -76 -909 C +ATOM 14 CG PRO A 4 21.959 16.704 42.094 1.00 16.42 C +ANISOU 14 CG PRO A 4 2000 2126 2114 236 52 -659 C +ATOM 15 CD PRO A 4 20.505 16.567 41.652 1.00 15.82 C +ANISOU 15 CD PRO A 4 1956 2076 1981 314 62 -426 C +ATOM 16 N ALA A 5 22.700 18.156 37.775 1.00 12.48 N +ANISOU 16 N ALA A 5 1273 1457 2011 -51 -27 -649 N +ATOM 17 CA ALA A 5 22.909 17.789 36.359 1.00 11.23 C +ANISOU 17 CA ALA A 5 1468 1051 1750 17 -274 -239 C +ATOM 18 C ALA A 5 23.517 16.411 36.245 1.00 9.76 C +ANISOU 18 C ALA A 5 1185 1291 1231 177 -48 -129 C +ATOM 19 O ALA A 5 24.431 16.098 37.029 1.00 10.67 O +ANISOU 19 O ALA A 5 1205 1300 1550 88 -152 -223 O +ATOM 20 CB ALA A 5 23.825 18.777 35.666 1.00 13.27 C +ANISOU 20 CB ALA A 5 1743 1420 1881 -145 -429 141 C +ATOM 21 N PRO A 6 23.042 15.553 35.344 1.00 8.56 N +ANISOU 21 N PRO A 6 1058 1004 1192 126 25 21 N +ATOM 22 CA PRO A 6 23.754 14.277 35.120 1.00 8.75 C +ANISOU 22 CA PRO A 6 962 1259 1102 152 43 -120 C +ATOM 23 C PRO A 6 25.199 14.586 34.729 1.00 8.27 C +ANISOU 23 C PRO A 6 1051 988 1101 192 40 39 C +ATOM 24 O PRO A 6 25.502 15.588 34.075 1.00 10.19 O +ANISOU 24 O PRO A 6 1308 1226 1337 113 88 293 O +ATOM 25 CB PRO A 6 22.990 13.665 33.956 1.00 8.79 C +ANISOU 25 CB PRO A 6 1076 1304 962 138 -18 -60 C +ATOM 26 CG PRO A 6 21.611 14.316 33.984 1.00 8.99 C +ANISOU 26 CG PRO A 6 1104 965 1347 154 -15 -69 C +ATOM 27 CD PRO A 6 21.895 15.703 34.453 1.00 9.25 C +ANISOU 27 CD PRO A 6 1187 1026 1300 -14 -172 77 C +ATOM 28 N ASP A 7 26.080 13.698 35.145 1.00 8.08 N +ANISOU 28 N ASP A 7 941 1013 1116 61 -37 11 N +ATOM 29 CA ASP A 7 27.503 13.827 34.931 1.00 8.65 C +ANISOU 29 CA ASP A 7 927 1100 1258 226 92 -82 C +ATOM 30 C ASP A 7 27.962 12.878 33.840 1.00 7.49 C +ANISOU 30 C ASP A 7 1043 718 1087 -39 -65 -45 C +ATOM 31 O ASP A 7 28.228 11.676 34.101 1.00 8.18 O +ANISOU 31 O ASP A 7 1136 801 1169 40 -15 57 O +ATOM 32 CB ASP A 7 28.240 13.504 36.234 1.00 8.86 C +ANISOU 32 CB ASP A 7 1082 1114 1169 89 -54 -243 C +ATOM 33 CG ASP A 7 29.745 13.489 36.084 1.00 8.56 C +ANISOU 33 CG ASP A 7 1062 908 1284 23 -129 66 C +ATOM 34 OD1 ASP A 7 30.251 13.995 35.028 1.00 8.17 O +ANISOU 34 OD1 ASP A 7 1027 813 1264 -54 -116 -90 O +ATOM 35 OD2 ASP A 7 30.422 12.997 37.024 1.00 9.51 O +ANISOU 35 OD2 ASP A 7 1320 913 1381 116 -217 27 O +ATOM 36 N ASP A 8 28.098 13.379 32.611 1.00 7.75 N +ANISOU 36 N ASP A 8 916 893 1137 34 -55 93 N +ATOM 37 CA ASP A 8 28.463 12.471 31.512 1.00 7.28 C +ANISOU 37 CA ASP A 8 896 776 1093 39 -100 16 C +ATOM 38 C ASP A 8 29.908 12.003 31.584 1.00 7.18 C +ANISOU 38 C ASP A 8 980 712 1038 2 -250 57 C +ATOM 39 O ASP A 8 30.212 10.894 31.125 1.00 7.72 O +ANISOU 39 O ASP A 8 937 831 1163 138 -214 4 O +ATOM 40 CB ASP A 8 28.221 13.123 30.133 1.00 7.68 C +ANISOU 40 CB ASP A 8 771 998 1148 156 -61 157 C +ATOM 41 CG ASP A 8 26.774 13.162 29.733 1.00 7.32 C +ANISOU 41 CG ASP A 8 876 795 1111 19 -87 77 C +ATOM 42 OD1 ASP A 8 25.885 12.840 30.545 1.00 8.59 O +ANISOU 42 OD1 ASP A 8 827 1169 1268 -68 -59 272 O +ATOM 43 OD2 ASP A 8 26.576 13.588 28.563 1.00 7.72 O +ANISOU 43 OD2 ASP A 8 815 910 1208 94 -62 140 O +ATOM 44 N THR A 9 30.826 12.823 32.105 1.00 7.27 N +ANISOU 44 N THR A 9 771 964 1027 -9 -66 -21 N +ATOM 45 CA THR A 9 32.210 12.377 32.272 1.00 7.25 C +ANISOU 45 CA THR A 9 911 852 991 34 -120 37 C +ATOM 46 C THR A 9 32.268 11.179 33.247 1.00 7.52 C +ANISOU 46 C THR A 9 841 782 1234 -26 -118 57 C +ATOM 47 O THR A 9 32.944 10.191 33.047 1.00 7.99 O +ANISOU 47 O THR A 9 924 790 1321 -33 -93 -36 O +ATOM 48 CB THR A 9 33.096 13.543 32.730 1.00 7.66 C +ANISOU 48 CB THR A 9 864 761 1286 -72 -140 193 C +ATOM 49 OG1 THR A 9 33.202 14.470 31.619 1.00 8.83 O +ANISOU 49 OG1 THR A 9 1022 1009 1325 30 -28 379 O +ATOM 50 CG2 THR A 9 34.494 13.114 33.110 1.00 9.22 C +ANISOU 50 CG2 THR A 9 933 1003 1567 38 -168 278 C +ATOM 51 N GLY A 10 31.487 11.335 34.325 1.00 7.66 N +ANISOU 51 N GLY A 10 1066 924 922 31 -178 85 N +ATOM 52 CA GLY A 10 31.361 10.240 35.294 1.00 8.74 C +ANISOU 52 CA GLY A 10 1341 712 1268 -81 -197 165 C +ATOM 53 C GLY A 10 30.738 8.987 34.662 1.00 8.45 C +ANISOU 53 C GLY A 10 1158 829 1223 70 -292 -37 C +ATOM 54 O GLY A 10 31.235 7.880 34.865 1.00 8.71 O +ANISOU 54 O GLY A 10 1216 799 1295 -52 -164 218 O +ATOM 55 N LEU A 11 29.682 9.141 33.875 1.00 8.09 N +ANISOU 55 N LEU A 11 1028 783 1264 -25 -76 44 N +ATOM 56 CA LEU A 11 29.088 8.021 33.172 1.00 7.70 C +ANISOU 56 CA LEU A 11 980 753 1191 -83 -91 -28 C +ATOM 57 C LEU A 11 30.102 7.368 32.253 1.00 8.05 C +ANISOU 57 C LEU A 11 996 774 1287 6 -178 57 C +ATOM 58 O LEU A 11 30.208 6.134 32.202 1.00 8.97 O +ANISOU 58 O LEU A 11 1053 758 1596 160 -143 26 O +ATOM 59 CB LEU A 11 27.833 8.419 32.368 1.00 8.16 C +ANISOU 59 CB LEU A 11 944 767 1389 -41 -13 103 C +ATOM 60 CG LEU A 11 26.617 8.810 33.247 1.00 8.54 C +ANISOU 60 CG LEU A 11 892 837 1516 -56 -81 45 C +ATOM 61 CD1 LEU A 11 25.545 9.441 32.406 1.00 10.27 C +ANISOU 61 CD1 LEU A 11 958 1033 1910 75 -151 179 C +ATOM 62 CD2 LEU A 11 26.072 7.595 34.012 1.00 9.78 C +ANISOU 62 CD2 LEU A 11 1211 947 1557 1 199 121 C +ATOM 63 N GLN A 12 30.864 8.165 31.523 1.00 7.41 N +ANISOU 63 N GLN A 12 928 764 1124 82 -156 25 N +ATOM 64 CA GLN A 12 31.873 7.619 30.624 1.00 8.56 C +ANISOU 64 CA GLN A 12 920 962 1370 160 -154 -32 C +ATOM 65 C GLN A 12 32.878 6.781 31.404 1.00 7.61 C +ANISOU 65 C GLN A 12 808 782 1302 1 -107 16 C +ATOM 66 O GLN A 12 33.276 5.686 30.974 1.00 8.60 O +ANISOU 66 O GLN A 12 945 844 1477 135 -93 79 O +ATOM 67 CB GLN A 12 32.586 8.748 29.869 1.00 9.08 C +ANISOU 67 CB GLN A 12 1240 899 1309 169 41 36 C +ATOM 68 CG GLN A 12 33.769 8.266 29.038 1.00 8.93 C +ANISOU 68 CG GLN A 12 1196 971 1224 217 -32 -53 C +ATOM 69 CD GLN A 12 34.465 9.382 28.214 1.00 10.70 C +ANISOU 69 CD GLN A 12 1228 1305 1531 97 17 242 C +ATOM 70 OE1 GLN A 12 35.753 9.445 28.062 1.00 14.15 O +ANISOU 70 OE1 GLN A 12 1188 1830 2359 270 40 590 O +ATOM 71 NE2 GLN A 12 33.716 10.223 27.595 1.00 9.54 N +ANISOU 71 NE2 GLN A 12 1025 1009 1592 -155 -72 150 N +ATOM 72 N ALA A 13 33.315 7.271 32.571 1.00 8.93 N +ANISOU 72 N ALA A 13 842 953 1597 -31 -342 12 N +ATOM 73 CA ALA A 13 34.274 6.508 33.397 1.00 8.43 C +ANISOU 73 CA ALA A 13 1054 775 1372 -31 -325 79 C +ATOM 74 C ALA A 13 33.665 5.193 33.888 1.00 8.09 C +ANISOU 74 C ALA A 13 880 872 1323 5 -280 -63 C +ATOM 75 O ALA A 13 34.389 4.196 33.941 1.00 8.86 O +ANISOU 75 O ALA A 13 1089 814 1465 66 -241 107 O +ATOM 76 CB ALA A 13 34.681 7.360 34.568 1.00 9.80 C +ANISOU 76 CB ALA A 13 1277 837 1610 -103 -477 58 C +ATOM 77 N VAL A 14 32.378 5.187 34.260 1.00 8.16 N +ANISOU 77 N VAL A 14 1035 881 1184 -9 -126 -6 N +ATOM 78 CA VAL A 14 31.745 3.981 34.697 1.00 8.47 C +ANISOU 78 CA VAL A 14 1098 867 1253 22 -44 15 C +ATOM 79 C VAL A 14 31.818 2.927 33.593 1.00 8.03 C +ANISOU 79 C VAL A 14 955 876 1220 228 -95 -16 C +ATOM 80 O VAL A 14 32.205 1.777 33.805 1.00 7.79 O +ANISOU 80 O VAL A 14 975 808 1176 -66 -106 143 O +ATOM 81 CB VAL A 14 30.273 4.232 35.138 1.00 9.86 C +ANISOU 81 CB VAL A 14 1315 1053 1380 211 287 73 C +ATOM 82 CG1 VAL A 14 29.620 2.915 35.425 1.00 10.47 C +ANISOU 82 CG1 VAL A 14 908 1303 1769 75 57 312 C +ATOM 83 CG2 VAL A 14 30.265 5.169 36.331 1.00 12.17 C +ANISOU 83 CG2 VAL A 14 1974 1233 1416 172 428 18 C +ATOM 84 N LEU A 15 31.409 3.311 32.384 1.00 7.91 N +ANISOU 84 N LEU A 15 979 740 1286 67 -139 -30 N +ATOM 85 CA LEU A 15 31.403 2.340 31.300 1.00 7.56 C +ANISOU 85 CA LEU A 15 925 765 1183 149 -194 5 C +ATOM 86 C LEU A 15 32.832 1.855 30.999 1.00 7.34 C +ANISOU 86 C LEU A 15 868 735 1184 -8 -121 79 C +ATOM 87 O LEU A 15 33.021 0.659 30.755 1.00 8.13 O +ANISOU 87 O LEU A 15 944 746 1400 107 -176 56 O +ATOM 88 CB LEU A 15 30.845 2.936 30.028 1.00 8.09 C +ANISOU 88 CB LEU A 15 942 860 1272 250 -49 164 C +ATOM 89 CG LEU A 15 29.438 3.575 30.104 1.00 7.80 C +ANISOU 89 CG LEU A 15 731 913 1321 35 -167 9 C +ATOM 90 CD1 LEU A 15 29.009 4.029 28.713 1.00 9.19 C +ANISOU 90 CD1 LEU A 15 968 1096 1427 102 -222 245 C +ATOM 91 CD2 LEU A 15 28.405 2.635 30.690 1.00 10.09 C +ANISOU 91 CD2 LEU A 15 926 1198 1712 -88 -150 317 C +ATOM 92 N HIS A 16 33.781 2.796 31.022 1.00 8.18 N +ANISOU 92 N HIS A 16 813 878 1417 -39 -206 7 N +ATOM 93 CA HIS A 16 35.150 2.348 30.701 1.00 7.97 C +ANISOU 93 CA HIS A 16 836 872 1320 32 25 21 C +ATOM 94 C HIS A 16 35.669 1.398 31.753 1.00 8.40 C +ANISOU 94 C HIS A 16 875 793 1524 73 25 51 C +ATOM 95 O HIS A 16 36.339 0.395 31.477 1.00 9.12 O +ANISOU 95 O HIS A 16 1007 826 1632 91 -20 38 O +ATOM 96 CB HIS A 16 36.018 3.622 30.638 1.00 9.76 C +ANISOU 96 CB HIS A 16 901 758 2051 -66 87 38 C +ATOM 97 CG HIS A 16 37.343 3.405 30.024 1.00 10.94 C +ANISOU 97 CG HIS A 16 921 1395 1842 -224 64 106 C +ATOM 98 ND1 HIS A 16 37.517 2.986 28.702 1.00 12.41 N +ANISOU 98 ND1 HIS A 16 1213 1597 1906 -115 113 -2 N +ATOM 99 CD2 HIS A 16 38.597 3.520 30.545 1.00 12.66 C +ANISOU 99 CD2 HIS A 16 810 1965 2038 158 2 -2 C +ATOM 100 CE1 HIS A 16 38.814 2.871 28.431 1.00 13.78 C +ANISOU 100 CE1 HIS A 16 1311 1694 2231 -81 284 -148 C +ATOM 101 NE2 HIS A 16 39.459 3.179 29.536 1.00 14.56 N +ANISOU 101 NE2 HIS A 16 956 2178 2398 -192 243 -224 N +ATOM 102 N THR A 17 35.324 1.642 33.030 1.00 8.02 N +ANISOU 102 N THR A 17 818 877 1352 -20 -200 80 N +ATOM 103 CA THR A 17 35.705 0.714 34.083 1.00 8.58 C +ANISOU 103 CA THR A 17 883 917 1458 -3 -162 89 C +ATOM 104 C THR A 17 35.048 -0.639 33.887 1.00 8.08 C +ANISOU 104 C THR A 17 916 843 1312 89 -278 -27 C +ATOM 105 O THR A 17 35.709 -1.682 34.061 1.00 8.38 O +ANISOU 105 O THR A 17 827 935 1420 133 -224 73 O +ATOM 106 CB THR A 17 35.327 1.295 35.464 1.00 9.72 C +ANISOU 106 CB THR A 17 1500 835 1357 44 -234 -40 C +ATOM 107 OG1 THR A 17 36.028 2.524 35.654 1.00 13.53 O +ANISOU 107 OG1 THR A 17 1881 1020 2240 -33 -813 -177 O +ATOM 108 CG2 THR A 17 35.684 0.314 36.570 1.00 12.14 C +ANISOU 108 CG2 THR A 17 1827 1343 1443 256 -576 13 C +ATOM 109 N ALA A 18 33.763 -0.655 33.560 1.00 7.90 N +ANISOU 109 N ALA A 18 745 863 1393 -18 -124 -42 N +ATOM 110 CA ALA A 18 33.099 -1.933 33.307 1.00 7.51 C +ANISOU 110 CA ALA A 18 707 858 1289 35 -73 34 C +ATOM 111 C ALA A 18 33.776 -2.705 32.193 1.00 7.17 C +ANISOU 111 C ALA A 18 756 857 1112 -75 -188 21 C +ATOM 112 O ALA A 18 33.976 -3.940 32.321 1.00 7.94 O +ANISOU 112 O ALA A 18 821 795 1403 46 -145 6 O +ATOM 113 CB ALA A 18 31.615 -1.642 32.979 1.00 9.38 C +ANISOU 113 CB ALA A 18 684 1035 1846 -50 -141 41 C +ATOM 114 N LEU A 19 34.203 -2.081 31.100 1.00 7.65 N +ANISOU 114 N LEU A 19 835 935 1135 -57 -186 7 N +ATOM 115 CA LEU A 19 34.959 -2.810 30.075 1.00 7.95 C +ANISOU 115 CA LEU A 19 690 1074 1259 80 -15 108 C +ATOM 116 C LEU A 19 36.267 -3.363 30.645 1.00 7.85 C +ANISOU 116 C LEU A 19 794 811 1379 -116 35 98 C +ATOM 117 O LEU A 19 36.621 -4.513 30.359 1.00 8.99 O +ANISOU 117 O LEU A 19 950 835 1633 107 -104 17 O +ATOM 118 CB LEU A 19 35.252 -1.905 28.903 1.00 9.30 C +ANISOU 118 CB LEU A 19 937 1238 1357 -180 -107 248 C +ATOM 119 CG LEU A 19 34.242 -1.942 27.752 1.00 10.81 C +ANISOU 119 CG LEU A 19 1021 1827 1259 -116 -100 375 C +ATOM 120 CD1 LEU A 19 32.834 -1.582 28.221 1.00 11.12 C +ANISOU 120 CD1 LEU A 19 1097 1514 1615 129 -339 99 C +ATOM 121 CD2 LEU A 19 34.710 -1.022 26.614 1.00 11.96 C +ANISOU 121 CD2 LEU A 19 1710 1269 1564 -444 -279 391 C +ATOM 122 N SER A 20 36.952 -2.571 31.463 1.00 8.15 N +ANISOU 122 N SER A 20 753 940 1405 -44 -182 61 N +ATOM 123 CA SER A 20 38.242 -3.020 32.039 1.00 8.12 C +ANISOU 123 CA SER A 20 685 811 1587 84 -53 172 C +ATOM 124 C SER A 20 38.050 -4.232 32.922 1.00 8.32 C +ANISOU 124 C SER A 20 635 896 1631 -92 -114 171 C +ATOM 125 O SER A 20 38.999 -4.969 33.160 1.00 9.89 O +ANISOU 125 O SER A 20 790 974 1994 45 -22 339 O +ATOM 126 CB SER A 20 38.928 -1.896 32.804 1.00 8.76 C +ANISOU 126 CB SER A 20 956 858 1513 -76 -226 260 C +ATOM 127 OG SER A 20 38.387 -1.718 34.117 1.00 9.65 O +ANISOU 127 OG SER A 20 1037 1111 1518 44 -169 152 O +ATOM 128 N GLN A 21 36.818 -4.421 33.428 1.00 8.05 N +ANISOU 128 N GLN A 21 700 835 1525 -131 44 22 N +ATOM 129 CA GLN A 21 36.543 -5.522 34.344 1.00 8.78 C +ANISOU 129 CA GLN A 21 914 925 1496 -92 29 133 C +ATOM 130 C GLN A 21 35.946 -6.737 33.653 1.00 7.65 C +ANISOU 130 C GLN A 21 542 766 1599 -22 155 114 C +ATOM 131 O GLN A 21 35.713 -7.733 34.336 1.00 9.94 O +ANISOU 131 O GLN A 21 1003 860 1913 -71 215 265 O +ATOM 132 CB GLN A 21 35.595 -5.019 35.455 1.00 7.75 C +ANISOU 132 CB GLN A 21 920 774 1250 -59 -205 190 C +ATOM 133 CG GLN A 21 36.292 -4.017 36.341 1.00 8.90 C +ANISOU 133 CG GLN A 21 1027 1007 1346 -54 -324 131 C +ATOM 134 CD GLN A 21 35.349 -3.413 37.338 1.00 9.68 C +ANISOU 134 CD GLN A 21 1274 994 1408 -11 -348 29 C +ATOM 135 OE1 GLN A 21 34.183 -3.111 36.997 1.00 11.80 O +ANISOU 135 OE1 GLN A 21 1414 1427 1642 423 -337 -245 O +ATOM 136 NE2 GLN A 21 35.892 -3.168 38.530 1.00 11.18 N +ANISOU 136 NE2 GLN A 21 1622 1304 1322 -199 -320 112 N +ATOM 137 N GLY A 22 35.685 -6.674 32.364 1.00 8.73 N +ANISOU 137 N GLY A 22 840 767 1710 102 -110 10 N +ATOM 138 CA GLY A 22 35.250 -7.816 31.612 1.00 9.62 C +ANISOU 138 CA GLY A 22 1006 763 1885 100 -349 60 C +ATOM 139 C GLY A 22 33.939 -7.708 30.874 1.00 8.42 C +ANISOU 139 C GLY A 22 642 753 1803 -40 -26 40 C +ATOM 140 O GLY A 22 33.534 -8.663 30.214 1.00 9.73 O +ANISOU 140 O GLY A 22 1050 835 1811 -125 -159 -39 O +ATOM 141 N ALA A 23 33.283 -6.553 30.913 1.00 7.61 N +ANISOU 141 N ALA A 23 807 706 1379 19 -57 112 N +ATOM 142 CA ALA A 23 32.082 -6.379 30.065 1.00 7.50 C +ANISOU 142 CA ALA A 23 669 982 1200 143 118 -21 C +ATOM 143 C ALA A 23 32.537 -6.162 28.628 1.00 6.91 C +ANISOU 143 C ALA A 23 695 786 1146 -46 121 -91 C +ATOM 144 O ALA A 23 33.315 -5.249 28.357 1.00 8.15 O +ANISOU 144 O ALA A 23 861 921 1313 -159 52 -44 O +ATOM 145 CB ALA A 23 31.267 -5.188 30.521 1.00 8.28 C +ANISOU 145 CB ALA A 23 997 904 1245 285 120 -12 C +ATOM 146 N PRO A 24 32.046 -6.927 27.648 1.00 6.89 N +ANISOU 146 N PRO A 24 712 659 1248 26 -19 -27 N +ATOM 147 CA PRO A 24 32.394 -6.600 26.269 1.00 7.38 C +ANISOU 147 CA PRO A 24 929 729 1144 4 62 -130 C +ATOM 148 C PRO A 24 31.907 -5.234 25.861 1.00 6.82 C +ANISOU 148 C PRO A 24 777 746 1067 -137 200 -108 C +ATOM 149 O PRO A 24 32.585 -4.526 25.101 1.00 7.11 O +ANISOU 149 O PRO A 24 749 826 1126 -68 122 -67 O +ATOM 150 CB PRO A 24 31.748 -7.764 25.465 1.00 7.81 C +ANISOU 150 CB PRO A 24 953 631 1382 -160 35 -76 C +ATOM 151 CG PRO A 24 31.679 -8.900 26.465 1.00 8.54 C +ANISOU 151 CG PRO A 24 1193 650 1404 -44 71 -29 C +ATOM 152 CD PRO A 24 31.315 -8.198 27.767 1.00 8.17 C +ANISOU 152 CD PRO A 24 842 819 1442 -144 42 -94 C +ATOM 153 N GLY A 25 30.725 -4.848 26.329 1.00 6.60 N +ANISOU 153 N GLY A 25 787 597 1124 -42 67 3 N +ATOM 154 CA GLY A 25 30.069 -3.612 26.046 1.00 7.06 C +ANISOU 154 CA GLY A 25 854 641 1186 -59 131 -13 C +ATOM 155 C GLY A 25 29.297 -3.143 27.236 1.00 6.82 C +ANISOU 155 C GLY A 25 712 732 1148 52 53 141 C +ATOM 156 O GLY A 25 28.842 -3.915 28.071 1.00 7.33 O +ANISOU 156 O GLY A 25 822 701 1263 -133 101 123 O +ATOM 157 N ALA A 26 29.135 -1.812 27.307 1.00 6.58 N +ANISOU 157 N ALA A 26 771 661 1070 9 37 59 N +ATOM 158 CA ALA A 26 28.338 -1.237 28.417 1.00 7.01 C +ANISOU 158 CA ALA A 26 781 890 993 111 108 146 C +ATOM 159 C ALA A 26 27.778 0.067 27.916 1.00 7.00 C +ANISOU 159 C ALA A 26 746 705 1209 -22 137 32 C +ATOM 160 O ALA A 26 28.394 0.806 27.101 1.00 8.21 O +ANISOU 160 O ALA A 26 844 911 1363 27 174 230 O +ATOM 161 CB ALA A 26 29.240 -1.019 29.634 1.00 7.91 C +ANISOU 161 CB ALA A 26 1069 771 1164 -72 -85 -15 C +ATOM 162 N MET A 27 26.544 0.409 28.341 1.00 6.79 N +ANISOU 162 N MET A 27 681 687 1212 12 -8 36 N +ATOM 163 CA MET A 27 25.908 1.627 27.824 1.00 7.39 C +ANISOU 163 CA MET A 27 978 675 1153 111 35 -8 C +ATOM 164 C MET A 27 24.897 2.138 28.820 1.00 7.18 C +ANISOU 164 C MET A 27 613 857 1256 74 124 213 C +ATOM 165 O MET A 27 24.458 1.430 29.760 1.00 7.63 O +ANISOU 165 O MET A 27 861 734 1303 28 149 97 O +ATOM 166 CB AMET A 27 25.240 1.268 26.504 0.66 7.33 C +ANISOU 166 CB AMET A 27 828 666 1291 4 -101 105 C +ATOM 167 CB BMET A 27 25.319 1.407 26.429 0.34 7.88 C +ANISOU 167 CB BMET A 27 1132 782 1082 -388 -41 352 C +ATOM 168 CG AMET A 27 24.104 0.283 26.696 0.66 7.22 C +ANISOU 168 CG AMET A 27 759 1067 915 -45 12 272 C +ATOM 169 CG BMET A 27 24.517 0.180 26.093 0.34 6.53 C +ANISOU 169 CG BMET A 27 789 515 1178 -70 -27 388 C +ATOM 170 SD AMET A 27 23.561 -0.055 24.997 0.66 8.63 S +ANISOU 170 SD AMET A 27 1157 1102 1021 -67 -74 51 S +ATOM 171 SD BMET A 27 22.785 0.423 26.508 0.34 7.84 S +ANISOU 171 SD BMET A 27 826 939 1214 12 18 107 S +ATOM 172 CE AMET A 27 22.355 -1.341 25.306 0.66 9.54 C +ANISOU 172 CE AMET A 27 1377 682 1566 18 -217 -73 C +ATOM 173 CE BMET A 27 22.007 -0.896 25.567 0.34 8.30 C +ANISOU 173 CE BMET A 27 970 333 1849 99 -647 535 C +ATOM 174 N VAL A 28 24.460 3.378 28.606 1.00 7.22 N +ANISOU 174 N VAL A 28 788 669 1288 -16 173 26 N +ATOM 175 CA VAL A 28 23.506 4.023 29.505 1.00 7.30 C +ANISOU 175 CA VAL A 28 829 908 1037 104 92 25 C +ATOM 176 C VAL A 28 22.797 5.117 28.753 1.00 6.97 C +ANISOU 176 C VAL A 28 695 694 1261 -73 99 46 C +ATOM 177 O VAL A 28 23.367 5.853 27.939 1.00 7.70 O +ANISOU 177 O VAL A 28 820 767 1339 -27 100 149 O +ATOM 178 CB VAL A 28 24.265 4.580 30.732 1.00 7.93 C +ANISOU 178 CB VAL A 28 1051 920 1043 -151 80 117 C +ATOM 179 CG1 VAL A 28 25.363 5.578 30.382 1.00 8.83 C +ANISOU 179 CG1 VAL A 28 979 965 1410 -145 -40 151 C +ATOM 180 CG2 VAL A 28 23.254 5.163 31.741 1.00 8.35 C +ANISOU 180 CG2 VAL A 28 1255 1119 800 63 14 74 C +ATOM 181 N ARG A 29 21.500 5.261 29.056 1.00 6.89 N +ANISOU 181 N ARG A 29 727 667 1226 6 71 82 N +ATOM 182 CA ARG A 29 20.666 6.372 28.550 1.00 7.19 C +ANISOU 182 CA ARG A 29 859 722 1153 85 118 -40 C +ATOM 183 C ARG A 29 19.967 7.029 29.703 1.00 8.87 C +ANISOU 183 C ARG A 29 1288 662 1420 35 486 90 C +ATOM 184 O ARG A 29 19.318 6.335 30.467 1.00 16.02 O +ANISOU 184 O ARG A 29 2835 780 2473 286 1780 292 O +ATOM 185 CB AARG A 29 19.648 5.874 27.511 0.30 8.48 C +ANISOU 185 CB AARG A 29 980 656 1585 -35 -193 173 C +ATOM 186 CB BARG A 29 19.611 5.850 27.542 0.70 8.68 C +ANISOU 186 CB BARG A 29 857 695 1746 69 -161 26 C +ATOM 187 CG AARG A 29 18.734 6.938 26.924 0.30 9.43 C +ANISOU 187 CG AARG A 29 863 860 1860 180 -169 -80 C +ATOM 188 CG BARG A 29 18.791 6.965 26.928 0.70 8.86 C +ANISOU 188 CG BARG A 29 848 811 1708 137 -198 -179 C +ATOM 189 CD AARG A 29 17.640 6.305 26.083 0.30 11.35 C +ANISOU 189 CD AARG A 29 1135 951 2225 422 -509 -327 C +ATOM 190 CD BARG A 29 17.752 6.385 25.973 0.70 12.54 C +ANISOU 190 CD BARG A 29 1144 1024 2597 344 -759 -430 C +ATOM 191 NE AARG A 29 16.904 7.278 25.275 0.30 11.78 N +ANISOU 191 NE AARG A 29 1409 1068 1998 441 -490 -221 N +ATOM 192 NE BARG A 29 16.723 7.396 25.750 0.70 13.06 N +ANISOU 192 NE BARG A 29 1172 933 2856 167 -755 85 N +ATOM 193 CZ AARG A 29 15.810 7.894 25.718 0.30 8.47 C +ANISOU 193 CZ AARG A 29 715 920 1585 -9 -741 74 C +ATOM 194 CZ BARG A 29 16.462 7.975 24.587 0.70 12.63 C +ANISOU 194 CZ BARG A 29 1465 1010 2325 267 -813 -401 C +ATOM 195 NH1AARG A 29 15.331 7.643 26.940 0.30 7.33 N +ANISOU 195 NH1AARG A 29 499 530 1758 -42 -721 516 N +ATOM 196 NH1BARG A 29 17.182 7.623 23.519 0.70 21.29 N +ANISOU 196 NH1BARG A 29 3164 2689 2236 2279 -1225 -1211 N +ATOM 197 NH2AARG A 29 15.171 8.776 24.953 0.30 8.19 N +ANISOU 197 NH2AARG A 29 639 1122 1350 -12 -222 429 N +ATOM 198 NH2BARG A 29 15.501 8.903 24.483 0.70 10.42 N +ANISOU 198 NH2BARG A 29 1287 981 1692 234 -370 -118 N +ATOM 199 N VAL A 30 20.045 8.352 29.771 1.00 7.39 N +ANISOU 199 N VAL A 30 914 717 1176 161 70 19 N +ATOM 200 CA VAL A 30 19.287 9.150 30.738 1.00 6.99 C +ANISOU 200 CA VAL A 30 864 736 1054 62 135 62 C +ATOM 201 C VAL A 30 18.266 9.985 29.985 1.00 7.64 C +ANISOU 201 C VAL A 30 997 688 1219 123 220 87 C +ATOM 202 O VAL A 30 18.637 10.648 29.007 1.00 8.21 O +ANISOU 202 O VAL A 30 871 861 1389 74 254 313 O +ATOM 203 CB VAL A 30 20.228 10.083 31.521 1.00 8.78 C +ANISOU 203 CB VAL A 30 1012 943 1382 116 70 -131 C +ATOM 204 CG1 VAL A 30 19.430 10.847 32.576 1.00 8.22 C +ANISOU 204 CG1 VAL A 30 1141 896 1087 39 84 10 C +ATOM 205 CG2 VAL A 30 21.369 9.324 32.153 1.00 9.69 C +ANISOU 205 CG2 VAL A 30 1146 1005 1531 140 -155 -76 C +ATOM 206 N ASP A 31 17.023 9.945 30.449 1.00 7.26 N +ANISOU 206 N ASP A 31 848 724 1186 96 142 100 N +ATOM 207 CA AASP A 31 16.062 10.919 29.971 0.62 7.71 C +ANISOU 207 CA AASP A 31 1010 800 1120 196 24 64 C +ATOM 208 CA BASP A 31 16.014 10.883 29.991 0.38 7.24 C +ANISOU 208 CA BASP A 31 971 805 976 127 0 124 C +ATOM 209 C AASP A 31 15.924 11.889 31.147 0.62 7.87 C +ANISOU 209 C AASP A 31 838 824 1327 199 386 71 C +ATOM 210 C BASP A 31 15.852 11.916 31.090 0.38 6.44 C +ANISOU 210 C BASP A 31 599 799 1049 243 -99 167 C +ATOM 211 O AASP A 31 15.335 11.568 32.180 0.62 7.56 O +ANISOU 211 O AASP A 31 897 810 1165 221 198 146 O +ATOM 212 O BASP A 31 15.167 11.644 32.082 0.38 7.68 O +ANISOU 212 O BASP A 31 1100 704 1116 -35 103 -79 O +ATOM 213 CB AASP A 31 14.704 10.372 29.586 0.62 8.90 C +ANISOU 213 CB AASP A 31 1008 1052 1323 -97 81 443 C +ATOM 214 CB BASP A 31 14.743 10.105 29.673 0.38 7.93 C +ANISOU 214 CB BASP A 31 928 796 1291 185 2 -13 C +ATOM 215 CG AASP A 31 13.683 11.439 29.284 0.62 10.37 C +ANISOU 215 CG AASP A 31 983 1170 1788 -24 -130 161 C +ATOM 216 CG BASP A 31 14.931 9.364 28.362 0.38 8.03 C +ANISOU 216 CG BASP A 31 481 1080 1490 225 -90 -174 C +ATOM 217 OD1AASP A 31 14.004 12.651 29.279 0.62 12.30 O +ANISOU 217 OD1AASP A 31 1686 981 2005 62 245 236 O +ATOM 218 OD1BASP A 31 14.787 9.990 27.291 0.38 10.60 O +ANISOU 218 OD1BASP A 31 2001 775 1251 451 -364 -602 O +ATOM 219 OD2AASP A 31 12.504 11.139 29.022 0.62 22.21 O +ANISOU 219 OD2AASP A 31 1177 2261 5003 -307 -999 740 O +ATOM 220 OD2BASP A 31 15.197 8.158 28.300 0.38 7.12 O +ANISOU 220 OD2BASP A 31 820 893 993 -234 58 -163 O +ATOM 221 N ASP A 32 16.506 13.081 30.967 1.00 7.96 N +ANISOU 221 N ASP A 32 1064 844 1114 15 -13 42 N +ATOM 222 CA ASP A 32 16.482 14.120 31.976 1.00 8.06 C +ANISOU 222 CA ASP A 32 1094 908 1060 120 8 75 C +ATOM 223 C ASP A 32 15.429 15.157 31.613 1.00 8.14 C +ANISOU 223 C ASP A 32 1054 863 1175 59 110 92 C +ATOM 224 O ASP A 32 15.755 16.210 31.040 1.00 8.40 O +ANISOU 224 O ASP A 32 1194 720 1278 88 69 59 O +ATOM 225 CB ASP A 32 17.859 14.789 32.080 1.00 8.61 C +ANISOU 225 CB ASP A 32 1035 793 1442 240 -83 -22 C +ATOM 226 CG ASP A 32 17.887 15.819 33.181 1.00 8.42 C +ANISOU 226 CG ASP A 32 1001 1000 1197 123 -116 106 C +ATOM 227 OD1 ASP A 32 17.026 15.768 34.100 1.00 9.35 O +ANISOU 227 OD1 ASP A 32 1225 1020 1308 175 119 98 O +ATOM 228 OD2 ASP A 32 18.769 16.695 33.132 1.00 9.46 O +ANISOU 228 OD2 ASP A 32 1167 1037 1391 36 7 -35 O +ATOM 229 N ASN A 33 14.188 14.851 31.926 1.00 9.08 N +ANISOU 229 N ASN A 33 1114 985 1349 163 242 106 N +ATOM 230 CA ASN A 33 13.082 15.779 31.726 1.00 10.65 C +ANISOU 230 CA ASN A 33 1201 1347 1499 298 183 169 C +ATOM 231 C ASN A 33 13.111 16.361 30.293 1.00 9.50 C +ANISOU 231 C ASN A 33 737 1310 1563 270 164 192 C +ATOM 232 O ASN A 33 12.964 17.560 30.108 1.00 11.80 O +ANISOU 232 O ASN A 33 1352 1352 1780 566 5 209 O +ATOM 233 CB ASN A 33 13.112 16.847 32.819 1.00 13.11 C +ANISOU 233 CB ASN A 33 1345 1812 1824 642 137 -349 C +ATOM 234 CG ASN A 33 11.848 17.706 32.815 1.00 16.06 C +ANISOU 234 CG ASN A 33 1389 1628 3083 556 75 -330 C +ATOM 235 OD1 ASN A 33 10.742 17.202 32.555 1.00 16.49 O +ANISOU 235 OD1 ASN A 33 1246 2236 2782 445 238 -382 O +ATOM 236 ND2 ASN A 33 12.014 18.980 33.164 1.00 18.74 N +ANISOU 236 ND2 ASN A 33 1855 1738 3527 696 -53 -624 N +ATOM 237 N GLY A 34 13.296 15.468 29.328 1.00 10.21 N +ANISOU 237 N GLY A 34 770 1513 1597 138 322 -3 N +ATOM 238 CA GLY A 34 13.257 15.880 27.924 1.00 12.47 C +ANISOU 238 CA GLY A 34 919 2247 1571 203 81 51 C +ATOM 239 C GLY A 34 14.604 16.169 27.287 1.00 9.39 C +ANISOU 239 C GLY A 34 1006 1238 1324 18 13 41 C +ATOM 240 O GLY A 34 14.637 16.454 26.079 1.00 11.97 O +ANISOU 240 O GLY A 34 1177 2089 1281 103 -156 -7 O +ATOM 241 N THR A 35 15.697 16.104 28.042 1.00 8.41 N +ANISOU 241 N THR A 35 876 959 1360 81 116 166 N +ATOM 242 CA THR A 35 17.056 16.196 27.457 1.00 7.98 C +ANISOU 242 CA THR A 35 947 773 1310 88 192 115 C +ATOM 243 C THR A 35 17.702 14.837 27.604 1.00 7.19 C +ANISOU 243 C THR A 35 717 870 1146 63 47 101 C +ATOM 244 O THR A 35 17.775 14.298 28.724 1.00 8.40 O +ANISOU 244 O THR A 35 1077 860 1255 34 116 161 O +ATOM 245 CB THR A 35 17.859 17.230 28.239 1.00 9.13 C +ANISOU 245 CB THR A 35 1022 636 1813 29 13 207 C +ATOM 246 OG1 THR A 35 17.208 18.532 28.091 1.00 11.31 O +ANISOU 246 OG1 THR A 35 1539 626 2132 51 -285 259 O +ATOM 247 CG2 THR A 35 19.255 17.328 27.666 1.00 11.24 C +ANISOU 247 CG2 THR A 35 1147 1262 1861 -229 86 257 C +ATOM 248 N ILE A 36 18.179 14.280 26.505 1.00 6.90 N +ANISOU 248 N ILE A 36 691 731 1199 36 56 119 N +ATOM 249 CA ILE A 36 18.715 12.940 26.531 1.00 6.76 C +ANISOU 249 CA ILE A 36 709 738 1121 4 -19 109 C +ATOM 250 C ILE A 36 20.197 12.950 26.764 1.00 6.49 C +ANISOU 250 C ILE A 36 705 760 1002 45 79 118 C +ATOM 251 O ILE A 36 20.946 13.764 26.189 1.00 7.14 O +ANISOU 251 O ILE A 36 822 717 1173 -32 -26 141 O +ATOM 252 CB ILE A 36 18.402 12.246 25.181 1.00 7.93 C +ANISOU 252 CB ILE A 36 1113 771 1128 -89 -193 96 C +ATOM 253 CG1 ILE A 36 16.918 12.305 24.819 1.00 9.57 C +ANISOU 253 CG1 ILE A 36 1137 1315 1184 156 -320 144 C +ATOM 254 CG2 ILE A 36 18.870 10.816 25.200 1.00 10.36 C +ANISOU 254 CG2 ILE A 36 1613 818 1504 167 -423 -29 C +ATOM 255 CD1 ILE A 36 15.952 12.050 25.934 1.00 17.27 C +ANISOU 255 CD1 ILE A 36 1422 2543 2598 -298 421 119 C +ATOM 256 N HIS A 37 20.663 11.973 27.521 1.00 6.61 N +ANISOU 256 N HIS A 37 652 716 1142 84 18 82 N +ATOM 257 CA HIS A 37 22.084 11.664 27.636 1.00 6.98 C +ANISOU 257 CA HIS A 37 690 789 1172 89 6 74 C +ATOM 258 C HIS A 37 22.271 10.210 27.190 1.00 6.64 C +ANISOU 258 C HIS A 37 699 756 1067 79 82 202 C +ATOM 259 O HIS A 37 21.495 9.356 27.574 1.00 8.30 O +ANISOU 259 O HIS A 37 923 728 1501 28 314 153 O +ATOM 260 CB HIS A 37 22.644 11.769 29.069 1.00 7.40 C +ANISOU 260 CB HIS A 37 791 851 1168 134 -82 55 C +ATOM 261 CG HIS A 37 22.450 13.154 29.618 1.00 7.32 C +ANISOU 261 CG HIS A 37 892 781 1108 155 56 121 C +ATOM 262 ND1 HIS A 37 23.543 13.873 30.126 1.00 8.29 N +ANISOU 262 ND1 HIS A 37 1003 884 1264 82 18 -65 N +ATOM 263 CD2 HIS A 37 21.389 13.967 29.773 1.00 7.39 C +ANISOU 263 CD2 HIS A 37 1021 724 1065 173 -100 44 C +ATOM 264 CE1 HIS A 37 23.121 15.074 30.515 1.00 8.00 C +ANISOU 264 CE1 HIS A 37 928 976 1135 31 156 -85 C +ATOM 265 NE2 HIS A 37 21.794 15.122 30.319 1.00 7.78 N +ANISOU 265 NE2 HIS A 37 976 795 1187 89 5 82 N +ATOM 266 N GLN A 38 23.256 9.940 26.335 1.00 7.02 N +ANISOU 266 N GLN A 38 720 711 1235 133 130 78 N +ATOM 267 CA GLN A 38 23.426 8.545 25.842 1.00 6.87 C +ANISOU 267 CA GLN A 38 773 615 1221 45 36 74 C +ATOM 268 C GLN A 38 24.890 8.303 25.610 1.00 6.62 C +ANISOU 268 C GLN A 38 776 735 1005 74 121 63 C +ATOM 269 O GLN A 38 25.570 9.049 24.928 1.00 7.10 O +ANISOU 269 O GLN A 38 837 713 1147 -30 79 114 O +ATOM 270 CB GLN A 38 22.591 8.324 24.606 1.00 8.26 C +ANISOU 270 CB GLN A 38 912 829 1397 217 -173 28 C +ATOM 271 CG GLN A 38 22.886 9.260 23.456 1.00 9.69 C +ANISOU 271 CG GLN A 38 1323 1192 1165 -17 -83 81 C +ATOM 272 CD GLN A 38 21.781 9.139 22.414 1.00 9.60 C +ANISOU 272 CD GLN A 38 1439 976 1232 275 -187 -52 C +ATOM 273 OE1 GLN A 38 20.799 9.883 22.431 1.00 11.49 O +ANISOU 273 OE1 GLN A 38 1556 1332 1476 487 -76 1 O +ATOM 274 NE2 GLN A 38 21.920 8.197 21.493 1.00 9.89 N +ANISOU 274 NE2 GLN A 38 1435 972 1349 111 -129 -62 N +ATOM 275 N LEU A 39 25.395 7.219 26.216 1.00 6.57 N +ANISOU 275 N LEU A 39 810 688 997 138 73 -13 N +ATOM 276 CA LEU A 39 26.784 6.847 26.093 1.00 6.38 C +ANISOU 276 CA LEU A 39 735 684 1004 -3 64 39 C +ATOM 277 C LEU A 39 26.874 5.319 25.961 1.00 6.38 C +ANISOU 277 C LEU A 39 794 631 1000 18 79 78 C +ATOM 278 O LEU A 39 26.076 4.578 26.564 1.00 7.30 O +ANISOU 278 O LEU A 39 910 687 1175 -31 185 43 O +ATOM 279 CB LEU A 39 27.646 7.212 27.295 1.00 7.34 C +ANISOU 279 CB LEU A 39 1003 749 1034 52 -170 36 C +ATOM 280 CG LEU A 39 27.879 8.726 27.477 1.00 8.25 C +ANISOU 280 CG LEU A 39 1011 745 1378 31 -235 -2 C +ATOM 281 CD1 LEU A 39 26.791 9.361 28.319 1.00 9.48 C +ANISOU 281 CD1 LEU A 39 1355 991 1256 176 -179 -224 C +ATOM 282 CD2 LEU A 39 29.249 8.961 28.119 1.00 9.90 C +ANISOU 282 CD2 LEU A 39 1181 1003 1578 -62 -425 58 C +ATOM 283 N SER A 40 27.880 4.858 25.231 1.00 6.98 N +ANISOU 283 N SER A 40 767 715 1171 59 157 65 N +ATOM 284 CA SER A 40 28.134 3.421 25.068 1.00 6.99 C +ANISOU 284 CA SER A 40 736 641 1278 -45 -21 -37 C +ATOM 285 C SER A 40 29.612 3.205 24.810 1.00 6.92 C +ANISOU 285 C SER A 40 853 699 1079 11 165 -7 C +ATOM 286 O SER A 40 30.257 4.068 24.177 1.00 7.63 O +ANISOU 286 O SER A 40 974 785 1141 17 217 157 O +ATOM 287 CB SER A 40 27.294 2.855 23.921 1.00 7.54 C +ANISOU 287 CB SER A 40 997 894 973 34 -32 79 C +ATOM 288 OG SER A 40 27.601 3.516 22.682 1.00 7.85 O +ANISOU 288 OG SER A 40 897 886 1199 -28 50 66 O +ATOM 289 N GLU A 41 30.130 2.088 25.264 1.00 7.29 N +ANISOU 289 N GLU A 41 781 811 1177 39 172 172 N +ATOM 290 CA GLU A 41 31.514 1.746 24.911 1.00 7.36 C +ANISOU 290 CA GLU A 41 793 862 1140 5 120 -58 C +ATOM 291 C GLU A 41 31.597 0.247 24.690 1.00 7.03 C +ANISOU 291 C GLU A 41 658 785 1226 -51 63 61 C +ATOM 292 O GLU A 41 30.915 -0.528 25.356 1.00 7.56 O +ANISOU 292 O GLU A 41 745 829 1297 -12 102 26 O +ATOM 293 CB GLU A 41 32.489 2.120 26.036 1.00 8.40 C +ANISOU 293 CB GLU A 41 826 972 1393 16 -112 -67 C +ATOM 294 CG GLU A 41 33.930 2.264 25.484 1.00 9.38 C +ANISOU 294 CG GLU A 41 913 1074 1578 -37 -35 -89 C +ATOM 295 CD GLU A 41 34.948 2.629 26.528 1.00 10.23 C +ANISOU 295 CD GLU A 41 975 647 2265 -27 -304 -201 C +ATOM 296 OE1 GLU A 41 34.646 3.157 27.579 1.00 14.56 O +ANISOU 296 OE1 GLU A 41 1195 2524 1814 -287 -450 -425 O +ATOM 297 OE2 GLU A 41 36.140 2.439 26.281 1.00 22.49 O +ANISOU 297 OE2 GLU A 41 1006 3130 4409 460 -596 -2105 O +ATOM 298 N GLY A 42 32.423 -0.158 23.728 1.00 7.80 N +ANISOU 298 N GLY A 42 736 787 1440 63 165 -27 N +ATOM 299 CA GLY A 42 32.635 -1.559 23.490 1.00 8.25 C +ANISOU 299 CA GLY A 42 906 725 1502 -58 17 -65 C +ATOM 300 C GLY A 42 31.715 -2.149 22.465 1.00 7.46 C +ANISOU 300 C GLY A 42 798 853 1185 -24 206 11 C +ATOM 301 O GLY A 42 31.203 -1.501 21.549 1.00 8.84 O +ANISOU 301 O GLY A 42 962 1057 1339 18 69 186 O +ATOM 302 N VAL A 43 31.542 -3.490 22.600 1.00 8.13 N +ANISOU 302 N VAL A 43 935 870 1284 -163 28 -28 N +ATOM 303 CA VAL A 43 30.978 -4.296 21.512 1.00 7.79 C +ANISOU 303 CA VAL A 43 989 869 1104 -146 149 13 C +ATOM 304 C VAL A 43 29.705 -4.995 21.932 1.00 7.44 C +ANISOU 304 C VAL A 43 909 834 1083 -125 51 42 C +ATOM 305 O VAL A 43 29.571 -5.497 23.053 1.00 7.67 O +ANISOU 305 O VAL A 43 966 918 1029 -41 128 63 O +ATOM 306 CB VAL A 43 32.000 -5.321 20.975 1.00 8.90 C +ANISOU 306 CB VAL A 43 1094 846 1443 18 180 28 C +ATOM 307 CG1 VAL A 43 33.193 -4.578 20.377 1.00 10.57 C +ANISOU 307 CG1 VAL A 43 998 1499 1520 -143 281 -40 C +ATOM 308 CG2 VAL A 43 32.436 -6.310 22.069 1.00 9.39 C +ANISOU 308 CG2 VAL A 43 1225 996 1347 195 80 -86 C +ATOM 309 N ALA A 44 28.766 -5.006 20.978 1.00 7.51 N +ANISOU 309 N ALA A 44 889 796 1168 -27 48 -15 N +ATOM 310 CA ALA A 44 27.563 -5.805 21.062 1.00 7.39 C +ANISOU 310 CA ALA A 44 786 777 1245 -35 -14 88 C +ATOM 311 C ALA A 44 27.851 -7.278 20.758 1.00 6.87 C +ANISOU 311 C ALA A 44 776 791 1043 -59 -56 19 C +ATOM 312 O ALA A 44 27.196 -8.146 21.305 1.00 8.32 O +ANISOU 312 O ALA A 44 973 844 1344 -104 124 36 O +ATOM 313 CB ALA A 44 26.564 -5.286 20.038 1.00 8.18 C +ANISOU 313 CB ALA A 44 913 930 1264 88 -8 80 C +ATOM 314 N ASP A 45 28.785 -7.516 19.825 1.00 7.97 N +ANISOU 314 N ASP A 45 1133 827 1067 156 80 123 N +ATOM 315 CA ASP A 45 29.135 -8.880 19.423 1.00 8.19 C +ANISOU 315 CA ASP A 45 951 898 1261 85 38 26 C +ATOM 316 C ASP A 45 30.672 -8.890 19.460 1.00 8.23 C +ANISOU 316 C ASP A 45 930 932 1263 89 206 -71 C +ATOM 317 O ASP A 45 31.309 -8.178 18.684 1.00 8.76 O +ANISOU 317 O ASP A 45 1072 972 1286 23 117 -37 O +ATOM 318 CB ASP A 45 28.579 -9.243 18.075 1.00 8.92 C +ANISOU 318 CB ASP A 45 1210 1000 1178 114 44 21 C +ATOM 319 CG ASP A 45 28.922 -10.647 17.636 1.00 10.23 C +ANISOU 319 CG ASP A 45 1094 1167 1626 130 -88 -387 C +ATOM 320 OD1 ASP A 45 30.068 -11.093 17.907 1.00 10.06 O +ANISOU 320 OD1 ASP A 45 1273 1068 1483 140 -31 -225 O +ATOM 321 OD2 ASP A 45 28.054 -11.295 17.010 1.00 10.81 O +ANISOU 321 OD2 ASP A 45 1367 1364 1376 49 -36 -344 O +ATOM 322 N ARG A 46 31.229 -9.628 20.393 1.00 8.46 N +ANISOU 322 N ARG A 46 998 957 1259 72 -42 -107 N +ATOM 323 CA ARG A 46 32.684 -9.632 20.586 1.00 8.04 C +ANISOU 323 CA ARG A 46 965 765 1326 -6 72 -47 C +ATOM 324 C ARG A 46 33.433 -10.395 19.535 1.00 8.82 C +ANISOU 324 C ARG A 46 949 847 1554 -76 119 -200 C +ATOM 325 O ARG A 46 34.636 -10.232 19.368 1.00 9.96 O +ANISOU 325 O ARG A 46 958 1131 1697 -73 193 -207 O +ATOM 326 CB ARG A 46 33.031 -10.111 22.004 1.00 9.14 C +ANISOU 326 CB ARG A 46 1156 865 1453 -3 -138 -50 C +ATOM 327 CG ARG A 46 32.900 -11.634 22.144 1.00 8.89 C +ANISOU 327 CG ARG A 46 1021 890 1466 -123 14 132 C +ATOM 328 CD ARG A 46 33.067 -12.045 23.588 1.00 10.27 C +ANISOU 328 CD ARG A 46 1298 1186 1418 -282 -127 68 C +ATOM 329 NE ARG A 46 34.353 -11.710 24.189 1.00 10.29 N +ANISOU 329 NE ARG A 46 1303 1085 1521 -67 -139 -31 N +ATOM 330 CZ ARG A 46 35.254 -12.612 24.433 1.00 15.19 C +ANISOU 330 CZ ARG A 46 1760 1348 2665 402 -738 -916 C +ATOM 331 NH1 ARG A 46 34.987 -13.870 24.048 1.00 19.20 N +ANISOU 331 NH1 ARG A 46 2878 1041 3379 292 -1521 -419 N +ATOM 332 NH2 ARG A 46 36.394 -12.286 25.011 1.00 17.93 N +ANISOU 332 NH2 ARG A 46 2012 1497 3305 423 -1286 -721 N +ATOM 333 N ALA A 47 32.730 -11.307 18.835 1.00 8.68 N +ANISOU 333 N ALA A 47 896 1030 1373 67 39 -280 N +ATOM 334 CA ALA A 47 33.392 -12.106 17.810 1.00 9.08 C +ANISOU 334 CA ALA A 47 1105 1051 1296 -29 102 -263 C +ATOM 335 C ALA A 47 33.457 -11.315 16.514 1.00 10.34 C +ANISOU 335 C ALA A 47 1250 1180 1497 131 175 -132 C +ATOM 336 O ALA A 47 34.438 -11.373 15.775 1.00 11.58 O +ANISOU 336 O ALA A 47 1435 1560 1405 -55 305 -149 O +ATOM 337 CB ALA A 47 32.671 -13.441 17.655 1.00 11.95 C +ANISOU 337 CB ALA A 47 1514 894 2134 -76 1 -322 C +ATOM 338 N THR A 48 32.382 -10.612 16.162 1.00 11.75 N +ANISOU 338 N THR A 48 1389 1509 1568 212 -40 -52 N +ATOM 339 CA THR A 48 32.384 -9.821 14.938 1.00 12.76 C +ANISOU 339 CA THR A 48 1531 1662 1655 267 124 116 C +ATOM 340 C THR A 48 32.929 -8.429 15.158 1.00 11.55 C +ANISOU 340 C THR A 48 1200 1785 1403 210 289 131 C +ATOM 341 O THR A 48 33.309 -7.762 14.164 1.00 14.76 O +ANISOU 341 O THR A 48 2119 1992 1496 10 595 166 O +ATOM 342 CB THR A 48 30.976 -9.639 14.338 1.00 12.25 C +ANISOU 342 CB THR A 48 1546 1760 1350 366 65 -353 C +ATOM 343 OG1 THR A 48 30.196 -8.882 15.267 1.00 12.04 O +ANISOU 343 OG1 THR A 48 1430 1832 1313 152 135 -389 O +ATOM 344 CG2 THR A 48 30.356 -11.007 14.087 1.00 14.19 C +ANISOU 344 CG2 THR A 48 1877 1720 1794 439 -360 -419 C +ATOM 345 N GLY A 49 32.968 -7.962 16.392 1.00 11.60 N +ANISOU 345 N GLY A 49 1408 1532 1469 274 455 90 N +ATOM 346 CA GLY A 49 33.416 -6.594 16.708 1.00 11.77 C +ANISOU 346 CA GLY A 49 1263 1568 1642 85 280 189 C +ATOM 347 C GLY A 49 32.365 -5.538 16.566 1.00 10.84 C +ANISOU 347 C GLY A 49 1321 1501 1298 95 399 124 C +ATOM 348 O GLY A 49 32.665 -4.325 16.743 1.00 13.10 O +ANISOU 348 O GLY A 49 1310 1585 2082 71 187 140 O +ATOM 349 N ARG A 50 31.114 -5.865 16.257 1.00 10.88 N +ANISOU 349 N ARG A 50 1236 1485 1410 146 496 98 N +ATOM 350 CA ARG A 50 30.093 -4.837 16.058 1.00 10.20 C +ANISOU 350 CA ARG A 50 1303 1439 1132 104 216 119 C +ATOM 351 C ARG A 50 29.907 -4.045 17.337 1.00 9.38 C +ANISOU 351 C ARG A 50 1120 1237 1208 35 291 148 C +ATOM 352 O ARG A 50 29.729 -4.607 18.422 1.00 9.19 O +ANISOU 352 O ARG A 50 1067 1326 1099 -11 183 176 O +ATOM 353 CB ARG A 50 28.785 -5.512 15.651 1.00 11.32 C +ANISOU 353 CB ARG A 50 1303 1736 1261 73 300 -135 C +ATOM 354 CG ARG A 50 27.566 -4.593 15.600 1.00 13.75 C +ANISOU 354 CG ARG A 50 1358 1979 1889 102 -143 -21 C +ATOM 355 CD ARG A 50 26.312 -5.323 15.210 1.00 15.55 C +ANISOU 355 CD ARG A 50 1450 2608 1849 -201 -388 421 C +ATOM 356 NE ARG A 50 26.033 -6.593 15.890 1.00 13.51 N +ANISOU 356 NE ARG A 50 1284 2115 1735 149 -79 -12 N +ATOM 357 CZ ARG A 50 25.139 -6.653 16.888 1.00 13.42 C +ANISOU 357 CZ ARG A 50 1362 1767 1971 32 48 -38 C +ATOM 358 NH1 ARG A 50 24.495 -5.592 17.345 1.00 11.80 N +ANISOU 358 NH1 ARG A 50 1173 1685 1625 71 -67 147 N +ATOM 359 NH2 ARG A 50 24.936 -7.869 17.441 1.00 13.63 N +ANISOU 359 NH2 ARG A 50 1512 1581 2087 -103 -56 -137 N +ATOM 360 N ALA A 51 29.939 -2.714 17.228 1.00 10.16 N +ANISOU 360 N ALA A 51 1257 1281 1321 113 278 259 N +ATOM 361 CA ALA A 51 29.873 -1.870 18.407 1.00 10.46 C +ANISOU 361 CA ALA A 51 1327 1126 1521 -71 449 120 C +ATOM 362 C ALA A 51 28.497 -1.906 19.075 1.00 8.81 C +ANISOU 362 C ALA A 51 1200 933 1215 170 50 65 C +ATOM 363 O ALA A 51 27.454 -2.021 18.411 1.00 10.74 O +ANISOU 363 O ALA A 51 1199 1584 1299 207 35 117 O +ATOM 364 CB ALA A 51 30.145 -0.440 17.953 1.00 14.73 C +ANISOU 364 CB ALA A 51 2771 1299 1526 -305 463 457 C +ATOM 365 N ILE A 52 28.487 -1.804 20.398 1.00 8.00 N +ANISOU 365 N ILE A 52 1018 729 1290 38 177 80 N +ATOM 366 CA ILE A 52 27.240 -1.674 21.144 1.00 7.49 C +ANISOU 366 CA ILE A 52 893 787 1164 55 89 119 C +ATOM 367 C ILE A 52 26.753 -0.232 21.049 1.00 8.07 C +ANISOU 367 C ILE A 52 936 770 1360 28 107 47 C +ATOM 368 O ILE A 52 27.558 0.729 20.920 1.00 8.74 O +ANISOU 368 O ILE A 52 918 854 1549 -6 75 106 O +ATOM 369 CB ILE A 52 27.426 -2.131 22.599 1.00 7.88 C +ANISOU 369 CB ILE A 52 969 801 1225 -64 16 89 C +ATOM 370 CG1 ILE A 52 26.135 -2.563 23.264 1.00 8.70 C +ANISOU 370 CG1 ILE A 52 1005 1120 1180 -49 143 69 C +ATOM 371 CG2 ILE A 52 28.115 -1.084 23.476 1.00 8.69 C +ANISOU 371 CG2 ILE A 52 987 1013 1303 -78 -11 -51 C +ATOM 372 CD1 ILE A 52 26.274 -3.247 24.605 1.00 9.14 C +ANISOU 372 CD1 ILE A 52 1226 938 1307 67 36 229 C +ATOM 373 N THR A 53 25.426 -0.070 21.065 1.00 7.92 N +ANISOU 373 N THR A 53 908 802 1298 -3 50 218 N +ATOM 374 CA THR A 53 24.821 1.254 20.993 1.00 7.94 C +ANISOU 374 CA THR A 53 1076 720 1221 53 188 114 C +ATOM 375 C THR A 53 23.559 1.286 21.843 1.00 8.08 C +ANISOU 375 C THR A 53 1061 702 1306 -66 61 -43 C +ATOM 376 O THR A 53 22.954 0.218 22.063 1.00 10.99 O +ANISOU 376 O THR A 53 1017 898 2262 -147 428 22 O +ATOM 377 CB ATHR A 53 24.314 1.654 19.590 0.56 7.82 C +ANISOU 377 CB ATHR A 53 781 830 1359 296 112 46 C +ATOM 378 CB BTHR A 53 24.693 1.691 19.527 0.44 8.72 C +ANISOU 378 CB BTHR A 53 1243 909 1163 346 -26 26 C +ATOM 379 OG1ATHR A 53 22.973 1.094 19.403 0.56 9.44 O +ANISOU 379 OG1ATHR A 53 754 1104 1729 185 277 -64 O +ATOM 380 OG1BTHR A 53 24.168 3.026 19.467 0.44 9.57 O +ANISOU 380 OG1BTHR A 53 1494 783 1359 146 26 108 O +ATOM 381 CG2ATHR A 53 25.214 1.195 18.445 0.56 8.28 C +ANISOU 381 CG2ATHR A 53 814 1106 1224 5 212 187 C +ATOM 382 CG2BTHR A 53 23.775 0.780 18.729 0.44 10.48 C +ANISOU 382 CG2BTHR A 53 1721 856 1407 349 -118 -206 C +ATOM 383 N THR A 54 23.154 2.479 22.268 1.00 8.21 N +ANISOU 383 N THR A 54 923 811 1385 71 179 149 N +ATOM 384 CA THR A 54 21.997 2.551 23.173 1.00 8.50 C +ANISOU 384 CA THR A 54 1085 851 1295 -38 243 -24 C +ATOM 385 C THR A 54 20.699 2.165 22.505 1.00 8.33 C +ANISOU 385 C THR A 54 1068 716 1382 -77 315 0 C +ATOM 386 O THR A 54 19.718 2.067 23.259 1.00 9.56 O +ANISOU 386 O THR A 54 1061 947 1624 -196 348 30 O +ATOM 387 CB THR A 54 21.865 3.929 23.855 1.00 8.79 C +ANISOU 387 CB THR A 54 1191 793 1355 151 0 65 C +ATOM 388 OG1 THR A 54 21.648 4.940 22.844 1.00 8.66 O +ANISOU 388 OG1 THR A 54 921 874 1494 101 -78 133 O +ATOM 389 CG2 THR A 54 23.052 4.254 24.721 1.00 8.99 C +ANISOU 389 CG2 THR A 54 1262 1029 1124 57 9 65 C +ATOM 390 N THR A 55 20.634 1.962 21.210 1.00 9.74 N +ANISOU 390 N THR A 55 1197 1045 1458 3 115 -272 N +ATOM 391 CA THR A 55 19.401 1.435 20.578 1.00 9.64 C +ANISOU 391 CA THR A 55 1106 972 1583 61 54 -110 C +ATOM 392 C THR A 55 19.393 -0.079 20.488 1.00 8.14 C +ANISOU 392 C THR A 55 855 940 1300 -72 219 4 C +ATOM 393 O THR A 55 18.402 -0.634 20.057 1.00 9.90 O +ANISOU 393 O THR A 55 1041 1173 1549 -145 -63 90 O +ATOM 394 CB THR A 55 19.261 2.080 19.191 1.00 10.54 C +ANISOU 394 CB THR A 55 1243 947 1814 90 -74 128 C +ATOM 395 OG1 THR A 55 20.426 1.803 18.419 1.00 10.61 O +ANISOU 395 OG1 THR A 55 1486 1035 1510 6 -6 219 O +ATOM 396 CG2 THR A 55 19.050 3.584 19.278 1.00 13.02 C +ANISOU 396 CG2 THR A 55 1406 890 2651 7 -48 85 C +ATOM 397 N ASP A 56 20.461 -0.759 20.900 1.00 7.97 N +ANISOU 397 N ASP A 56 1002 845 1183 -115 80 -6 N +ATOM 398 CA ASP A 56 20.453 -2.217 20.835 1.00 8.26 C +ANISOU 398 CA ASP A 56 1027 846 1267 -83 157 92 C +ATOM 399 C ASP A 56 19.469 -2.816 21.821 1.00 7.72 C +ANISOU 399 C ASP A 56 1132 746 1054 -47 57 74 C +ATOM 400 O ASP A 56 19.452 -2.494 23.025 1.00 10.06 O +ANISOU 400 O ASP A 56 1678 1027 1119 -150 247 -64 O +ATOM 401 CB ASP A 56 21.846 -2.756 21.160 1.00 9.22 C +ANISOU 401 CB ASP A 56 1057 1005 1441 38 41 238 C +ATOM 402 CG ASP A 56 22.898 -2.527 20.139 1.00 9.20 C +ANISOU 402 CG ASP A 56 1025 1087 1384 -244 0 96 C +ATOM 403 OD1 ASP A 56 22.565 -2.285 18.969 1.00 17.69 O +ANISOU 403 OD1 ASP A 56 1212 4027 1481 157 67 561 O +ATOM 404 OD2 ASP A 56 24.096 -2.580 20.494 1.00 9.85 O +ANISOU 404 OD2 ASP A 56 1070 1057 1616 -109 -10 -69 O +ATOM 405 N ARG A 57 18.650 -3.755 21.370 1.00 7.41 N +ANISOU 405 N ARG A 57 922 762 1132 4 189 62 N +ATOM 406 CA ARG A 57 17.758 -4.474 22.270 1.00 7.45 C +ANISOU 406 CA ARG A 57 940 875 1016 -39 117 216 C +ATOM 407 C ARG A 57 18.568 -5.441 23.126 1.00 6.74 C +ANISOU 407 C ARG A 57 742 843 977 -47 55 46 C +ATOM 408 O ARG A 57 19.635 -5.897 22.742 1.00 7.45 O +ANISOU 408 O ARG A 57 856 871 1105 59 108 68 O +ATOM 409 CB ARG A 57 16.658 -5.177 21.469 1.00 8.09 C +ANISOU 409 CB ARG A 57 916 1115 1045 35 7 123 C +ATOM 410 CG ARG A 57 15.712 -4.181 20.828 1.00 9.95 C +ANISOU 410 CG ARG A 57 1237 1429 1113 352 10 160 C +ATOM 411 CD ARG A 57 15.019 -4.671 19.614 1.00 12.55 C +ANISOU 411 CD ARG A 57 1742 1390 1634 546 -514 27 C +ATOM 412 NE ARG A 57 14.180 -3.619 19.036 1.00 12.20 N +ANISOU 412 NE ARG A 57 1696 1556 1383 655 -117 275 N +ATOM 413 CZ ARG A 57 13.421 -3.886 18.003 1.00 11.76 C +ANISOU 413 CZ ARG A 57 1692 1753 1025 729 80 358 C +ATOM 414 NH1 ARG A 57 13.443 -5.089 17.458 1.00 12.04 N +ANISOU 414 NH1 ARG A 57 1581 1800 1192 452 10 269 N +ATOM 415 NH2 ARG A 57 12.653 -2.922 17.508 1.00 12.59 N +ANISOU 415 NH2 ARG A 57 1425 1842 1516 561 40 557 N +ATOM 416 N PHE A 58 17.964 -5.785 24.277 1.00 6.35 N +ANISOU 416 N PHE A 58 656 811 947 -108 -11 59 N +ATOM 417 CA PHE A 58 18.649 -6.705 25.200 1.00 6.88 C +ANISOU 417 CA PHE A 58 751 816 1048 -140 -126 138 C +ATOM 418 C PHE A 58 17.623 -7.353 26.117 1.00 6.33 C +ANISOU 418 C PHE A 58 648 705 1050 -3 -49 10 C +ATOM 419 O PHE A 58 16.456 -6.948 26.158 1.00 6.82 O +ANISOU 419 O PHE A 58 740 838 1012 52 -10 18 O +ATOM 420 CB PHE A 58 19.742 -5.976 25.973 1.00 6.77 C +ANISOU 420 CB PHE A 58 664 854 1055 -79 -50 44 C +ATOM 421 CG PHE A 58 19.196 -4.816 26.827 1.00 6.31 C +ANISOU 421 CG PHE A 58 582 763 1051 -221 -200 50 C +ATOM 422 CD1 PHE A 58 18.821 -5.026 28.149 1.00 7.27 C +ANISOU 422 CD1 PHE A 58 841 929 991 -67 -178 26 C +ATOM 423 CD2 PHE A 58 19.109 -3.547 26.282 1.00 7.38 C +ANISOU 423 CD2 PHE A 58 769 862 1173 58 -108 85 C +ATOM 424 CE1 PHE A 58 18.369 -3.964 28.912 1.00 8.33 C +ANISOU 424 CE1 PHE A 58 939 962 1264 -143 -138 -50 C +ATOM 425 CE2 PHE A 58 18.651 -2.461 27.036 1.00 7.81 C +ANISOU 425 CE2 PHE A 58 1025 837 1106 -17 -302 -28 C +ATOM 426 CZ PHE A 58 18.265 -2.664 28.378 1.00 8.05 C +ANISOU 426 CZ PHE A 58 894 934 1232 -83 -97 -126 C +ATOM 427 N ARG A 59 18.073 -8.387 26.832 1.00 5.94 N +ANISOU 427 N ARG A 59 662 669 924 -26 -85 87 N +ATOM 428 CA ARG A 59 17.239 -9.081 27.818 1.00 6.65 C +ANISOU 428 CA ARG A 59 647 831 1051 22 91 -20 C +ATOM 429 C ARG A 59 17.318 -8.362 29.155 1.00 5.94 C +ANISOU 429 C ARG A 59 690 560 1007 18 -18 77 C +ATOM 430 O ARG A 59 18.406 -8.236 29.715 1.00 6.53 O +ANISOU 430 O ARG A 59 741 764 977 13 -34 5 O +ATOM 431 CB ARG A 59 17.682 -10.534 27.939 1.00 6.39 C +ANISOU 431 CB ARG A 59 738 729 959 52 -57 34 C +ATOM 432 CG ARG A 59 17.608 -11.316 26.622 1.00 7.09 C +ANISOU 432 CG ARG A 59 659 879 1158 121 -81 -115 C +ATOM 433 CD ARG A 59 17.737 -12.808 26.921 1.00 7.35 C +ANISOU 433 CD ARG A 59 783 797 1212 -34 92 -140 C +ATOM 434 NE ARG A 59 17.812 -13.618 25.694 1.00 6.77 N +ANISOU 434 NE ARG A 59 758 698 1114 67 -74 15 N +ATOM 435 CZ ARG A 59 16.793 -13.964 24.904 1.00 6.68 C +ANISOU 435 CZ ARG A 59 659 849 1031 48 11 -2 C +ATOM 436 NH1 ARG A 59 15.526 -13.640 25.195 1.00 6.99 N +ANISOU 436 NH1 ARG A 59 768 814 1074 25 -27 -38 N +ATOM 437 NH2 ARG A 59 17.034 -14.675 23.792 1.00 7.07 N +ANISOU 437 NH2 ARG A 59 892 640 1155 -19 50 -84 N +ATOM 438 N VAL A 60 16.161 -7.955 29.678 1.00 5.95 N +ANISOU 438 N VAL A 60 701 645 914 -29 75 95 N +ATOM 439 CA VAL A 60 16.126 -7.109 30.882 1.00 6.52 C +ANISOU 439 CA VAL A 60 739 767 969 38 23 47 C +ATOM 440 C VAL A 60 16.070 -7.908 32.187 1.00 5.80 C +ANISOU 440 C VAL A 60 567 745 891 -101 -60 67 C +ATOM 441 O VAL A 60 16.102 -7.326 33.267 1.00 6.99 O +ANISOU 441 O VAL A 60 751 892 1013 22 -8 -20 O +ATOM 442 CB VAL A 60 14.942 -6.129 30.843 1.00 6.87 C +ANISOU 442 CB VAL A 60 745 808 1055 99 -60 113 C +ATOM 443 CG1 VAL A 60 14.851 -5.403 29.511 1.00 7.74 C +ANISOU 443 CG1 VAL A 60 858 1104 978 212 -91 86 C +ATOM 444 CG2 VAL A 60 13.605 -6.831 31.142 1.00 7.75 C +ANISOU 444 CG2 VAL A 60 780 915 1251 79 57 -88 C +ATOM 445 N GLY A 61 15.967 -9.239 32.071 1.00 6.28 N +ANISOU 445 N GLY A 61 645 765 975 -33 -22 76 N +ATOM 446 CA GLY A 61 15.982 -10.045 33.290 1.00 6.88 C +ANISOU 446 CA GLY A 61 727 953 936 -27 -1 172 C +ATOM 447 C GLY A 61 14.866 -9.659 34.232 1.00 6.32 C +ANISOU 447 C GLY A 61 703 791 907 61 -4 153 C +ATOM 448 O GLY A 61 13.715 -9.426 33.801 1.00 6.62 O +ANISOU 448 O GLY A 61 697 793 1026 48 -88 107 O +ATOM 449 N SER A 62 15.179 -9.560 35.524 1.00 6.33 N +ANISOU 449 N SER A 62 675 799 933 -61 0 99 N +ATOM 450 CA SER A 62 14.175 -9.409 36.555 1.00 6.54 C +ANISOU 450 CA SER A 62 742 872 869 75 13 10 C +ATOM 451 C SER A 62 13.495 -8.038 36.534 1.00 6.31 C +ANISOU 451 C SER A 62 736 908 752 54 -44 34 C +ATOM 452 O SER A 62 12.513 -7.864 37.250 1.00 7.09 O +ANISOU 452 O SER A 62 732 998 962 56 52 -9 O +ATOM 453 CB SER A 62 14.771 -9.536 37.968 1.00 7.91 C +ANISOU 453 CB SER A 62 1262 863 879 206 -84 206 C +ATOM 454 OG SER A 62 15.074 -10.954 38.214 1.00 7.29 O +ANISOU 454 OG SER A 62 915 853 1004 77 182 229 O +ATOM 455 N VAL A 63 13.903 -7.109 35.674 1.00 6.63 N +ANISOU 455 N VAL A 63 721 844 954 -35 -116 125 N +ATOM 456 CA VAL A 63 13.082 -5.906 35.429 1.00 6.80 C +ANISOU 456 CA VAL A 63 717 926 941 15 62 104 C +ATOM 457 C VAL A 63 11.675 -6.319 34.985 1.00 6.65 C +ANISOU 457 C VAL A 63 784 922 819 -21 20 116 C +ATOM 458 O VAL A 63 10.701 -5.585 35.217 1.00 6.84 O +ANISOU 458 O VAL A 63 796 789 1015 -18 190 136 O +ATOM 459 CB VAL A 63 13.771 -4.989 34.409 1.00 7.24 C +ANISOU 459 CB VAL A 63 824 747 1180 -65 82 126 C +ATOM 460 CG1 VAL A 63 12.887 -3.797 34.040 1.00 9.99 C +ANISOU 460 CG1 VAL A 63 1018 1148 1629 161 230 496 C +ATOM 461 CG2 VAL A 63 15.133 -4.515 34.929 1.00 8.95 C +ANISOU 461 CG2 VAL A 63 946 1213 1242 -267 59 27 C +ATOM 462 N THR A 64 11.560 -7.518 34.395 1.00 6.54 N +ANISOU 462 N THR A 64 713 750 1023 28 -12 201 N +ATOM 463 CA THR A 64 10.264 -8.076 34.045 1.00 6.35 C +ANISOU 463 CA THR A 64 684 807 923 -62 57 126 C +ATOM 464 C THR A 64 9.294 -8.070 35.194 1.00 6.06 C +ANISOU 464 C THR A 64 706 680 918 115 105 210 C +ATOM 465 O THR A 64 8.078 -7.921 34.983 1.00 6.88 O +ANISOU 465 O THR A 64 684 808 1123 9 7 19 O +ATOM 466 CB THR A 64 10.478 -9.537 33.576 1.00 6.60 C +ANISOU 466 CB THR A 64 714 922 872 2 19 14 C +ATOM 467 OG1 THR A 64 11.357 -9.544 32.416 1.00 6.83 O +ANISOU 467 OG1 THR A 64 813 792 989 1 63 74 O +ATOM 468 CG2 THR A 64 9.171 -10.207 33.182 1.00 7.76 C +ANISOU 468 CG2 THR A 64 800 993 1155 -128 -20 60 C +ATOM 469 N LYS A 65 9.796 -8.245 36.424 1.00 7.18 N +ANISOU 469 N LYS A 65 790 967 973 40 166 264 N +ATOM 470 CA LYS A 65 8.860 -8.288 37.580 1.00 6.67 C +ANISOU 470 CA LYS A 65 712 911 914 92 170 97 C +ATOM 471 C LYS A 65 8.064 -7.006 37.659 1.00 6.68 C +ANISOU 471 C LYS A 65 542 786 1211 -16 -68 91 C +ATOM 472 O LYS A 65 6.909 -7.064 38.107 1.00 7.02 O +ANISOU 472 O LYS A 65 684 954 1031 39 49 169 O +ATOM 473 CB LYS A 65 9.620 -8.534 38.881 1.00 7.47 C +ANISOU 473 CB LYS A 65 901 923 1014 125 -49 192 C +ATOM 474 CG LYS A 65 10.254 -9.927 38.937 1.00 7.05 C +ANISOU 474 CG LYS A 65 786 938 954 196 29 30 C +ATOM 475 CD LYS A 65 10.861 -10.239 40.304 1.00 8.01 C +ANISOU 475 CD LYS A 65 922 1129 991 270 -16 213 C +ATOM 476 CE LYS A 65 11.389 -11.664 40.419 1.00 7.27 C +ANISOU 476 CE LYS A 65 684 918 1161 59 160 205 C +ATOM 477 NZ LYS A 65 12.597 -11.835 39.576 1.00 7.47 N +ANISOU 477 NZ LYS A 65 628 1011 1198 49 86 66 N +ATOM 478 N SER A 66 8.621 -5.869 37.302 1.00 7.06 N +ANISOU 478 N SER A 66 684 857 1142 10 -20 88 N +ATOM 479 CA SER A 66 7.867 -4.626 37.371 1.00 6.52 C +ANISOU 479 CA SER A 66 636 797 1044 29 156 119 C +ATOM 480 C SER A 66 6.746 -4.616 36.354 1.00 6.51 C +ANISOU 480 C SER A 66 634 790 1048 70 145 129 C +ATOM 481 O SER A 66 5.665 -4.066 36.619 1.00 7.51 O +ANISOU 481 O SER A 66 723 907 1226 107 97 74 O +ATOM 482 CB SER A 66 8.758 -3.384 37.162 1.00 7.54 C +ANISOU 482 CB SER A 66 812 940 1111 -64 -31 166 C +ATOM 483 OG SER A 66 9.787 -3.341 38.137 1.00 7.70 O +ANISOU 483 OG SER A 66 792 1060 1076 -12 -21 106 O +ATOM 484 N PHE A 67 6.973 -5.180 35.166 1.00 6.95 N +ANISOU 484 N PHE A 67 708 932 1002 84 56 184 N +ATOM 485 CA PHE A 67 5.898 -5.299 34.191 1.00 7.36 C +ANISOU 485 CA PHE A 67 710 1067 1022 -26 12 163 C +ATOM 486 C PHE A 67 4.786 -6.218 34.717 1.00 7.04 C +ANISOU 486 C PHE A 67 774 980 922 35 10 143 C +ATOM 487 O PHE A 67 3.592 -5.899 34.599 1.00 7.49 O +ANISOU 487 O PHE A 67 684 969 1191 8 -14 214 O +ATOM 488 CB PHE A 67 6.456 -5.851 32.874 1.00 7.11 C +ANISOU 488 CB PHE A 67 775 925 1003 25 -2 156 C +ATOM 489 CG PHE A 67 7.331 -4.888 32.113 1.00 6.55 C +ANISOU 489 CG PHE A 67 815 655 1020 34 -10 -20 C +ATOM 490 CD1 PHE A 67 8.701 -4.764 32.383 1.00 8.61 C +ANISOU 490 CD1 PHE A 67 885 1139 1249 -200 -150 256 C +ATOM 491 CD2 PHE A 67 6.800 -4.076 31.124 1.00 8.50 C +ANISOU 491 CD2 PHE A 67 887 1079 1263 7 -53 331 C +ATOM 492 CE1 PHE A 67 9.455 -3.846 31.690 1.00 8.99 C +ANISOU 492 CE1 PHE A 67 905 1060 1448 -82 -40 262 C +ATOM 493 CE2 PHE A 67 7.580 -3.171 30.412 1.00 9.43 C +ANISOU 493 CE2 PHE A 67 976 1100 1506 -60 -46 399 C +ATOM 494 CZ PHE A 67 8.929 -3.065 30.679 1.00 8.56 C +ANISOU 494 CZ PHE A 67 1064 946 1240 -212 -182 90 C +ATOM 495 N SER A 68 5.157 -7.367 35.284 1.00 6.76 N +ANISOU 495 N SER A 68 640 881 1046 -69 -68 89 N +ATOM 496 CA SER A 68 4.175 -8.258 35.898 1.00 7.26 C +ANISOU 496 CA SER A 68 698 946 1114 90 75 301 C +ATOM 497 C SER A 68 3.418 -7.571 37.011 1.00 7.15 C +ANISOU 497 C SER A 68 628 1017 1071 78 -52 239 C +ATOM 498 O SER A 68 2.183 -7.740 37.110 1.00 8.37 O +ANISOU 498 O SER A 68 591 1171 1416 94 70 225 O +ATOM 499 CB SER A 68 4.882 -9.516 36.422 1.00 8.79 C +ANISOU 499 CB SER A 68 1059 1026 1253 245 121 258 C +ATOM 500 OG SER A 68 5.431 -10.231 35.333 1.00 7.79 O +ANISOU 500 OG SER A 68 856 818 1287 94 -28 130 O +ATOM 501 N ALA A 69 4.097 -6.818 37.851 1.00 7.41 N +ANISOU 501 N ALA A 69 633 978 1206 74 35 233 N +ATOM 502 CA ALA A 69 3.433 -6.121 38.963 1.00 7.74 C +ANISOU 502 CA ALA A 69 713 924 1303 191 84 150 C +ATOM 503 C ALA A 69 2.470 -5.088 38.402 1.00 7.83 C +ANISOU 503 C ALA A 69 664 934 1379 108 61 194 C +ATOM 504 O ALA A 69 1.357 -4.962 38.980 1.00 8.91 O +ANISOU 504 O ALA A 69 702 1245 1437 132 93 402 O +ATOM 505 CB ALA A 69 4.429 -5.513 39.914 1.00 8.68 C +ANISOU 505 CB ALA A 69 718 1304 1276 103 48 141 C +ATOM 506 N VAL A 70 2.796 -4.341 37.355 1.00 7.82 N +ANISOU 506 N VAL A 70 596 1017 1356 68 23 234 N +ATOM 507 CA VAL A 70 1.854 -3.374 36.799 1.00 8.47 C +ANISOU 507 CA VAL A 70 769 1181 1268 33 -99 300 C +ATOM 508 C VAL A 70 0.589 -4.069 36.338 1.00 7.88 C +ANISOU 508 C VAL A 70 691 876 1427 257 -47 376 C +ATOM 509 O VAL A 70 -0.517 -3.618 36.632 1.00 8.42 O +ANISOU 509 O VAL A 70 673 954 1571 208 -61 263 O +ATOM 510 CB VAL A 70 2.522 -2.556 35.661 1.00 8.03 C +ANISOU 510 CB VAL A 70 684 950 1415 89 34 269 C +ATOM 511 CG1 VAL A 70 1.450 -1.834 34.870 1.00 9.18 C +ANISOU 511 CG1 VAL A 70 847 1326 1313 269 125 410 C +ATOM 512 CG2 VAL A 70 3.528 -1.607 36.284 1.00 8.90 C +ANISOU 512 CG2 VAL A 70 871 961 1548 84 33 184 C +ATOM 513 N VAL A 71 0.732 -5.219 35.645 1.00 8.40 N +ANISOU 513 N VAL A 71 682 1166 1345 97 13 52 N +ATOM 514 CA VAL A 71 -0.483 -5.908 35.203 1.00 8.43 C +ANISOU 514 CA VAL A 71 710 1089 1403 133 -57 289 C +ATOM 515 C VAL A 71 -1.335 -6.300 36.407 1.00 8.27 C +ANISOU 515 C VAL A 71 526 1189 1427 70 -146 178 C +ATOM 516 O VAL A 71 -2.555 -6.072 36.436 1.00 10.05 O +ANISOU 516 O VAL A 71 685 1528 1606 188 50 276 O +ATOM 517 CB VAL A 71 -0.137 -7.157 34.340 1.00 8.93 C +ANISOU 517 CB VAL A 71 745 1051 1599 -12 102 174 C +ATOM 518 CG1 VAL A 71 -1.424 -7.918 34.017 1.00 10.96 C +ANISOU 518 CG1 VAL A 71 844 1368 1950 16 -113 23 C +ATOM 519 CG2 VAL A 71 0.564 -6.720 33.041 1.00 9.56 C +ANISOU 519 CG2 VAL A 71 870 1278 1485 296 -19 266 C +ATOM 520 N LEU A 72 -0.718 -6.931 37.415 1.00 8.81 N +ANISOU 520 N LEU A 72 840 986 1522 87 57 398 N +ATOM 521 CA LEU A 72 -1.487 -7.347 38.591 1.00 8.90 C +ANISOU 521 CA LEU A 72 617 1367 1395 137 -40 256 C +ATOM 522 C LEU A 72 -2.152 -6.188 39.293 1.00 8.69 C +ANISOU 522 C LEU A 72 728 1086 1487 182 -81 484 C +ATOM 523 O LEU A 72 -3.305 -6.273 39.725 1.00 9.21 O +ANISOU 523 O LEU A 72 771 1354 1376 106 60 430 O +ATOM 524 CB LEU A 72 -0.554 -8.050 39.585 1.00 9.08 C +ANISOU 524 CB LEU A 72 827 1172 1451 270 18 447 C +ATOM 525 CG LEU A 72 -0.138 -9.448 39.147 1.00 9.62 C +ANISOU 525 CG LEU A 72 948 1169 1536 74 -11 268 C +ATOM 526 CD1 LEU A 72 1.009 -9.883 40.096 1.00 12.40 C +ANISOU 526 CD1 LEU A 72 1128 1471 2112 520 -117 611 C +ATOM 527 CD2 LEU A 72 -1.252 -10.480 39.181 1.00 12.91 C +ANISOU 527 CD2 LEU A 72 1009 1369 2527 -121 261 547 C +ATOM 528 N LEU A 73 -1.471 -5.040 39.385 1.00 9.20 N +ANISOU 528 N LEU A 73 670 1296 1529 69 101 238 N +ATOM 529 CA LEU A 73 -2.076 -3.868 40.082 1.00 9.34 C +ANISOU 529 CA LEU A 73 938 1266 1347 245 -122 262 C +ATOM 530 C LEU A 73 -3.206 -3.278 39.264 1.00 8.99 C +ANISOU 530 C LEU A 73 839 1265 1313 245 108 241 C +ATOM 531 O LEU A 73 -4.180 -2.816 39.851 1.00 9.84 O +ANISOU 531 O LEU A 73 768 1509 1462 270 164 319 O +ATOM 532 CB LEU A 73 -0.973 -2.870 40.407 1.00 8.72 C +ANISOU 532 CB LEU A 73 769 1256 1289 258 87 284 C +ATOM 533 CG LEU A 73 -0.043 -3.388 41.543 1.00 9.40 C +ANISOU 533 CG LEU A 73 794 1587 1191 112 67 336 C +ATOM 534 CD1 LEU A 73 1.271 -2.616 41.570 1.00 10.28 C +ANISOU 534 CD1 LEU A 73 912 1379 1614 -42 13 177 C +ATOM 535 CD2 LEU A 73 -0.718 -3.339 42.906 1.00 12.75 C +ANISOU 535 CD2 LEU A 73 1219 2380 1246 190 277 295 C +ATOM 536 N GLN A 74 -3.155 -3.349 37.934 1.00 9.00 N +ANISOU 536 N GLN A 74 830 1331 1258 308 19 327 N +ATOM 537 CA GLN A 74 -4.324 -2.962 37.115 1.00 9.52 C +ANISOU 537 CA GLN A 74 756 1490 1370 377 114 373 C +ATOM 538 C GLN A 74 -5.477 -3.945 37.380 1.00 9.31 C +ANISOU 538 C GLN A 74 769 1532 1236 351 18 454 C +ATOM 539 O GLN A 74 -6.626 -3.519 37.427 1.00 10.96 O +ANISOU 539 O GLN A 74 733 1803 1628 400 46 613 O +ATOM 540 CB GLN A 74 -4.010 -2.928 35.641 1.00 9.61 C +ANISOU 540 CB GLN A 74 850 1484 1318 68 -22 309 C +ATOM 541 CG GLN A 74 -3.014 -1.842 35.264 1.00 10.48 C +ANISOU 541 CG GLN A 74 846 1578 1558 89 34 393 C +ATOM 542 CD GLN A 74 -2.805 -1.720 33.774 1.00 10.67 C +ANISOU 542 CD GLN A 74 914 1616 1525 65 61 459 C +ATOM 543 OE1 GLN A 74 -3.444 -2.424 32.974 1.00 12.07 O +ANISOU 543 OE1 GLN A 74 1128 1864 1594 -239 126 299 O +ATOM 544 NE2 GLN A 74 -1.941 -0.785 33.403 1.00 15.02 N +ANISOU 544 NE2 GLN A 74 1769 2308 1632 -812 -220 572 N +ATOM 545 N LEU A 75 -5.183 -5.228 37.551 1.00 10.16 N +ANISOU 545 N LEU A 75 715 1574 1573 215 -3 566 N +ATOM 546 CA LEU A 75 -6.273 -6.161 37.908 1.00 10.85 C +ANISOU 546 CA LEU A 75 917 1613 1593 -23 -37 292 C +ATOM 547 C LEU A 75 -6.848 -5.823 39.250 1.00 10.65 C +ANISOU 547 C LEU A 75 699 1853 1493 185 -4 645 C +ATOM 548 O LEU A 75 -8.077 -6.014 39.454 1.00 12.62 O +ANISOU 548 O LEU A 75 751 2215 1830 148 -4 632 O +ATOM 549 CB LEU A 75 -5.766 -7.620 37.889 1.00 11.27 C +ANISOU 549 CB LEU A 75 996 1607 1679 -87 -149 350 C +ATOM 550 CG LEU A 75 -5.261 -8.085 36.520 1.00 11.53 C +ANISOU 550 CG LEU A 75 1107 1401 1873 41 -187 269 C +ATOM 551 CD1 LEU A 75 -4.699 -9.494 36.610 1.00 14.30 C +ANISOU 551 CD1 LEU A 75 1181 1580 2672 322 -439 84 C +ATOM 552 CD2 LEU A 75 -6.319 -8.016 35.406 1.00 14.73 C +ANISOU 552 CD2 LEU A 75 1586 2217 1793 743 -355 60 C +ATOM 553 N VAL A 76 -6.051 -5.346 40.205 1.00 10.41 N +ANISOU 553 N VAL A 76 779 1712 1466 295 -45 556 N +ATOM 554 CA VAL A 76 -6.605 -4.884 41.506 1.00 11.51 C +ANISOU 554 CA VAL A 76 819 2097 1457 369 -38 625 C +ATOM 555 C VAL A 76 -7.505 -3.681 41.285 1.00 10.84 C +ANISOU 555 C VAL A 76 740 1954 1424 304 115 528 C +ATOM 556 O VAL A 76 -8.641 -3.594 41.783 1.00 12.67 O +ANISOU 556 O VAL A 76 895 2303 1615 342 229 653 O +ATOM 557 CB VAL A 76 -5.478 -4.524 42.496 1.00 12.49 C +ANISOU 557 CB VAL A 76 1023 2112 1612 458 -110 376 C +ATOM 558 CG1 VAL A 76 -6.068 -3.942 43.795 1.00 11.94 C +ANISOU 558 CG1 VAL A 76 1073 1969 1494 222 11 504 C +ATOM 559 CG2 VAL A 76 -4.629 -5.753 42.789 1.00 11.80 C +ANISOU 559 CG2 VAL A 76 923 1990 1569 260 -113 580 C +ATOM 560 N ASP A 77 -7.075 -2.698 40.484 1.00 12.06 N +ANISOU 560 N ASP A 77 742 1916 1925 335 117 649 N +ATOM 561 CA ASP A 77 -7.933 -1.564 40.124 1.00 12.62 C +ANISOU 561 CA ASP A 77 839 1858 2098 377 110 654 C +ATOM 562 C ASP A 77 -9.275 -1.982 39.560 1.00 12.71 C +ANISOU 562 C ASP A 77 825 2431 1571 475 91 551 C +ATOM 563 O ASP A 77 -10.316 -1.364 39.821 1.00 13.33 O +ANISOU 563 O ASP A 77 949 2332 1783 579 131 618 O +ATOM 564 CB ASP A 77 -7.206 -0.670 39.076 1.00 12.92 C +ANISOU 564 CB ASP A 77 1140 1914 1856 323 74 563 C +ATOM 565 CG ASP A 77 -6.212 0.250 39.713 1.00 12.36 C +ANISOU 565 CG ASP A 77 996 1771 1929 411 134 493 C +ATOM 566 OD1 ASP A 77 -6.306 0.472 40.928 1.00 14.79 O +ANISOU 566 OD1 ASP A 77 1517 2148 1954 207 10 438 O +ATOM 567 OD2 ASP A 77 -5.369 0.768 38.919 1.00 14.84 O +ANISOU 567 OD2 ASP A 77 1182 2084 2372 292 312 514 O +ATOM 568 N GLU A 78 -9.283 -3.044 38.774 1.00 12.20 N +ANISOU 568 N GLU A 78 707 2340 1590 464 68 610 N +ATOM 569 CA GLU A 78 -10.450 -3.575 38.068 1.00 12.98 C +ANISOU 569 CA GLU A 78 834 2411 1686 378 -106 752 C +ATOM 570 C GLU A 78 -11.282 -4.462 39.009 1.00 16.68 C +ANISOU 570 C GLU A 78 632 3645 2059 147 -58 1131 C +ATOM 571 O GLU A 78 -12.375 -4.867 38.590 1.00 15.78 O +ANISOU 571 O GLU A 78 986 2723 2285 60 -143 833 O +ATOM 572 CB GLU A 78 -10.031 -4.332 36.823 1.00 12.10 C +ANISOU 572 CB GLU A 78 1031 1673 1894 223 -149 695 C +ATOM 573 CG GLU A 78 -9.445 -3.413 35.754 1.00 12.85 C +ANISOU 573 CG GLU A 78 815 2187 1879 435 101 753 C +ATOM 574 CD GLU A 78 -8.716 -4.050 34.600 1.00 11.38 C +ANISOU 574 CD GLU A 78 995 1537 1792 72 -177 480 C +ATOM 575 OE1 GLU A 78 -8.743 -5.294 34.464 1.00 13.83 O +ANISOU 575 OE1 GLU A 78 967 1633 2653 -41 -274 386 O +ATOM 576 OE2 GLU A 78 -8.084 -3.258 33.815 1.00 14.15 O +ANISOU 576 OE2 GLU A 78 1505 1787 2084 142 436 567 O +ATOM 577 N GLY A 79 -10.825 -4.712 40.231 1.00 15.41 N +ANISOU 577 N GLY A 79 949 3001 1906 354 109 1077 N +ATOM 578 CA GLY A 79 -11.649 -5.467 41.164 1.00 14.79 C +ANISOU 578 CA GLY A 79 1002 2787 1830 29 143 687 C +ATOM 579 C GLY A 79 -11.498 -6.961 40.971 1.00 14.61 C +ANISOU 579 C GLY A 79 799 2840 1912 -265 -82 326 C +ATOM 580 O GLY A 79 -12.294 -7.697 41.572 1.00 14.90 O +ANISOU 580 O GLY A 79 1055 2823 1784 -15 -182 788 O +ATOM 581 N LYS A 80 -10.516 -7.437 40.189 1.00 14.37 N +ANISOU 581 N LYS A 80 915 2651 1893 403 -132 1020 N +ATOM 582 CA LYS A 80 -10.350 -8.848 39.877 1.00 14.36 C +ANISOU 582 CA LYS A 80 780 2661 2016 290 -195 973 C +ATOM 583 C LYS A 80 -9.382 -9.575 40.786 1.00 14.28 C +ANISOU 583 C LYS A 80 926 2427 2075 297 -282 940 C +ATOM 584 O LYS A 80 -9.292 -10.813 40.746 1.00 16.92 O +ANISOU 584 O LYS A 80 1392 2377 2659 -144 -677 1133 O +ATOM 585 CB LYS A 80 -9.845 -8.996 38.440 1.00 15.57 C +ANISOU 585 CB LYS A 80 1226 2690 2001 203 -316 705 C +ATOM 586 CG LYS A 80 -10.869 -8.411 37.440 1.00 15.48 C +ANISOU 586 CG LYS A 80 1324 2656 1903 286 -303 757 C +ATOM 587 CD LYS A 80 -10.218 -8.272 36.059 1.00 15.56 C +ANISOU 587 CD LYS A 80 1161 2728 2021 285 -241 683 C +ATOM 588 CE LYS A 80 -11.198 -7.707 35.049 1.00 13.51 C +ANISOU 588 CE LYS A 80 1088 2001 2046 105 -101 945 C +ATOM 589 NZ LYS A 80 -10.518 -7.394 33.762 1.00 12.77 N +ANISOU 589 NZ LYS A 80 1212 1534 2108 493 173 613 N +ATOM 590 N LEU A 81 -8.710 -8.792 41.633 1.00 13.88 N +ANISOU 590 N LEU A 81 816 2417 2043 63 -187 1114 N +ATOM 591 CA LEU A 81 -7.645 -9.300 42.487 1.00 13.41 C +ANISOU 591 CA LEU A 81 846 2374 1874 305 -138 879 C +ATOM 592 C LEU A 81 -7.642 -8.498 43.762 1.00 13.77 C +ANISOU 592 C LEU A 81 1043 2287 1904 418 -175 961 C +ATOM 593 O LEU A 81 -7.725 -7.275 43.634 1.00 14.10 O +ANISOU 593 O LEU A 81 1081 2338 1940 532 286 936 O +ATOM 594 CB LEU A 81 -6.312 -9.101 41.722 1.00 14.54 C +ANISOU 594 CB LEU A 81 922 2266 2338 471 92 962 C +ATOM 595 CG LEU A 81 -5.078 -9.608 42.469 1.00 13.28 C +ANISOU 595 CG LEU A 81 825 2470 1751 20 -50 730 C +ATOM 596 CD1 LEU A 81 -5.197 -11.097 42.789 1.00 20.66 C +ANISOU 596 CD1 LEU A 81 884 2913 4054 -75 -901 2068 C +ATOM 597 CD2 LEU A 81 -3.866 -9.269 41.576 1.00 16.70 C +ANISOU 597 CD2 LEU A 81 844 3356 2144 -124 40 1091 C +ATOM 598 N ASP A 82 -7.523 -9.087 44.918 1.00 12.95 N +ANISOU 598 N ASP A 82 836 2344 1741 213 -73 898 N +ATOM 599 CA ASP A 82 -7.339 -8.429 46.201 1.00 12.90 C +ANISOU 599 CA ASP A 82 773 2287 1840 98 55 784 C +ATOM 600 C ASP A 82 -5.936 -8.793 46.674 1.00 10.78 C +ANISOU 600 C ASP A 82 761 1768 1569 234 180 437 C +ATOM 601 O ASP A 82 -5.585 -9.953 46.823 1.00 11.21 O +ANISOU 601 O ASP A 82 907 1771 1580 146 178 420 O +ATOM 602 CB ASP A 82 -8.432 -8.896 47.145 1.00 12.77 C +ANISOU 602 CB ASP A 82 857 2006 1988 99 174 433 C +ATOM 603 CG ASP A 82 -8.494 -8.063 48.389 1.00 12.53 C +ANISOU 603 CG ASP A 82 969 1618 2175 13 275 531 C +ATOM 604 OD1 ASP A 82 -7.433 -7.890 49.035 1.00 13.27 O +ANISOU 604 OD1 ASP A 82 1025 1965 2053 242 244 225 O +ATOM 605 OD2 ASP A 82 -9.604 -7.625 48.757 1.00 16.45 O +ANISOU 605 OD2 ASP A 82 1095 3257 1897 371 496 473 O +ATOM 606 N LEU A 83 -5.132 -7.753 46.929 1.00 11.62 N +ANISOU 606 N LEU A 83 676 1903 1836 130 180 684 N +ATOM 607 CA LEU A 83 -3.759 -8.012 47.358 1.00 11.03 C +ANISOU 607 CA LEU A 83 735 1829 1627 69 94 644 C +ATOM 608 C LEU A 83 -3.662 -8.811 48.654 1.00 11.17 C +ANISOU 608 C LEU A 83 843 1837 1563 231 305 657 C +ATOM 609 O LEU A 83 -2.654 -9.511 48.839 1.00 10.71 O +ANISOU 609 O LEU A 83 881 1677 1512 228 235 468 O +ATOM 610 CB LEU A 83 -3.021 -6.664 47.531 1.00 11.08 C +ANISOU 610 CB LEU A 83 976 1712 1521 73 197 632 C +ATOM 611 CG LEU A 83 -2.816 -5.860 46.244 1.00 11.40 C +ANISOU 611 CG LEU A 83 1006 1745 1581 58 183 607 C +ATOM 612 CD1 LEU A 83 -2.262 -4.505 46.666 1.00 14.30 C +ANISOU 612 CD1 LEU A 83 1804 1563 2068 -16 241 662 C +ATOM 613 CD2 LEU A 83 -1.937 -6.622 45.263 1.00 12.00 C +ANISOU 613 CD2 LEU A 83 1139 1780 1641 87 360 690 C +ATOM 614 N ASP A 84 -4.668 -8.679 49.528 1.00 11.07 N +ANISOU 614 N ASP A 84 944 1745 1517 292 305 580 N +ATOM 615 CA ASP A 84 -4.564 -9.419 50.800 1.00 11.13 C +ANISOU 615 CA ASP A 84 1353 1368 1507 166 421 458 C +ATOM 616 C ASP A 84 -5.310 -10.729 50.821 1.00 10.44 C +ANISOU 616 C ASP A 84 1030 1452 1487 210 509 248 C +ATOM 617 O ASP A 84 -5.326 -11.398 51.869 1.00 12.40 O +ANISOU 617 O ASP A 84 1828 1497 1385 -301 502 174 O +ATOM 618 CB ASP A 84 -4.978 -8.490 51.953 1.00 11.92 C +ANISOU 618 CB ASP A 84 1191 1671 1666 -118 393 135 C +ATOM 619 CG ASP A 84 -4.018 -7.318 51.978 1.00 12.21 C +ANISOU 619 CG ASP A 84 1209 1359 2072 46 504 392 C +ATOM 620 OD1 ASP A 84 -2.809 -7.557 52.057 1.00 12.86 O +ANISOU 620 OD1 ASP A 84 1195 1325 2365 -94 355 281 O +ATOM 621 OD2 ASP A 84 -4.512 -6.168 51.817 1.00 15.78 O +ANISOU 621 OD2 ASP A 84 1557 1574 2865 300 884 534 O +ATOM 622 N ALA A 85 -5.860 -11.143 49.652 1.00 10.86 N +ANISOU 622 N ALA A 85 963 1477 1685 178 219 420 N +ATOM 623 CA ALA A 85 -6.406 -12.511 49.576 1.00 10.93 C +ANISOU 623 CA ALA A 85 972 1377 1806 181 117 441 C +ATOM 624 C ALA A 85 -5.258 -13.497 49.407 1.00 11.13 C +ANISOU 624 C ALA A 85 991 1502 1735 176 314 458 C +ATOM 625 O ALA A 85 -4.166 -13.150 48.907 1.00 12.25 O +ANISOU 625 O ALA A 85 1001 1764 1889 113 328 551 O +ATOM 626 CB ALA A 85 -7.378 -12.631 48.422 1.00 11.53 C +ANISOU 626 CB ALA A 85 1234 1441 1706 130 79 396 C +ATOM 627 N SER A 86 -5.528 -14.716 49.804 1.00 11.48 N +ANISOU 627 N SER A 86 1119 1347 1897 294 438 525 N +ATOM 628 CA SER A 86 -4.647 -15.852 49.602 1.00 12.97 C +ANISOU 628 CA SER A 86 1343 1753 1831 598 601 733 C +ATOM 629 C SER A 86 -4.363 -16.117 48.149 1.00 11.75 C +ANISOU 629 C SER A 86 1170 1465 1831 393 365 532 C +ATOM 630 O SER A 86 -5.296 -16.048 47.318 1.00 12.05 O +ANISOU 630 O SER A 86 1073 1396 2111 -1 289 355 O +ATOM 631 CB ASER A 86 -5.340 -17.124 50.146 0.36 18.10 C +ANISOU 631 CB ASER A 86 2557 1485 2834 1052 1780 948 C +ATOM 632 CB BSER A 86 -5.370 -17.073 50.223 0.64 20.54 C +ANISOU 632 CB BSER A 86 3079 1753 2970 993 1426 1671 C +ATOM 633 OG ASER A 86 -5.373 -17.101 51.552 0.36 20.90 O +ANISOU 633 OG ASER A 86 2215 2938 2789 1110 1429 1615 O +ATOM 634 OG BSER A 86 -4.917 -18.316 49.736 0.64 20.40 O +ANISOU 634 OG BSER A 86 2518 1864 3369 542 1704 1276 O +ATOM 635 N VAL A 87 -3.150 -16.484 47.784 1.00 11.70 N +ANISOU 635 N VAL A 87 1156 1406 1884 352 518 567 N +ATOM 636 CA VAL A 87 -2.896 -16.934 46.417 1.00 10.58 C +ANISOU 636 CA VAL A 87 909 1242 1867 34 314 459 C +ATOM 637 C VAL A 87 -3.777 -18.109 46.092 1.00 12.12 C +ANISOU 637 C VAL A 87 798 1528 2280 -83 104 633 C +ATOM 638 O VAL A 87 -4.338 -18.213 44.995 1.00 11.18 O +ANISOU 638 O VAL A 87 705 1294 2250 -123 195 464 O +ATOM 639 CB VAL A 87 -1.433 -17.372 46.339 1.00 11.04 C +ANISOU 639 CB VAL A 87 743 1429 2022 -38 232 123 C +ATOM 640 CG1 VAL A 87 -1.187 -18.096 45.005 1.00 12.07 C +ANISOU 640 CG1 VAL A 87 1300 1336 1950 158 410 317 C +ATOM 641 CG2 VAL A 87 -0.504 -16.173 46.460 1.00 12.41 C +ANISOU 641 CG2 VAL A 87 973 1478 2267 -197 489 235 C +ATOM 642 N ASN A 88 -3.972 -19.028 47.048 1.00 11.65 N +ANISOU 642 N ASN A 88 1127 1423 1877 -213 664 313 N +ATOM 643 CA ASN A 88 -4.818 -20.215 46.814 1.00 12.01 C +ANISOU 643 CA ASN A 88 1143 1346 2075 -74 322 417 C +ATOM 644 C ASN A 88 -6.279 -19.862 46.572 1.00 13.43 C +ANISOU 644 C ASN A 88 1046 1606 2452 -101 522 427 C +ATOM 645 O ASN A 88 -6.977 -20.728 45.997 1.00 14.41 O +ANISOU 645 O ASN A 88 1060 1729 2687 -242 435 335 O +ATOM 646 CB ASN A 88 -4.719 -21.209 47.957 1.00 15.58 C +ANISOU 646 CB ASN A 88 1347 1742 2832 304 932 1070 C +ATOM 647 CG ASN A 88 -3.414 -21.982 47.881 1.00 16.29 C +ANISOU 647 CG ASN A 88 1304 1761 3125 302 1022 1227 C +ATOM 648 OD1 ASN A 88 -2.644 -21.908 46.930 1.00 14.63 O +ANISOU 648 OD1 ASN A 88 1202 1601 2754 380 734 820 O +ATOM 649 ND2 ASN A 88 -3.153 -22.719 48.966 1.00 19.74 N +ANISOU 649 ND2 ASN A 88 1644 2291 3567 527 1024 1721 N +ATOM 650 N THR A 89 -6.752 -18.672 46.943 1.00 13.20 N +ANISOU 650 N THR A 89 963 1815 2236 30 573 344 N +ATOM 651 CA THR A 89 -8.104 -18.258 46.551 1.00 13.25 C +ANISOU 651 CA THR A 89 1020 1476 2539 -179 408 556 C +ATOM 652 C THR A 89 -8.270 -18.309 45.054 1.00 13.52 C +ANISOU 652 C THR A 89 1056 1528 2554 -406 272 379 C +ATOM 653 O THR A 89 -9.323 -18.660 44.522 1.00 15.79 O +ANISOU 653 O THR A 89 1074 1958 2969 -343 270 -33 O +ATOM 654 CB THR A 89 -8.360 -16.834 47.083 1.00 13.67 C +ANISOU 654 CB THR A 89 1125 1563 2508 -21 261 445 C +ATOM 655 OG1 THR A 89 -8.548 -16.957 48.503 1.00 16.46 O +ANISOU 655 OG1 THR A 89 1684 2000 2571 391 489 517 O +ATOM 656 CG2 THR A 89 -9.562 -16.168 46.475 1.00 16.39 C +ANISOU 656 CG2 THR A 89 1354 2023 2852 334 539 947 C +ATOM 657 N TYR A 90 -7.218 -17.863 44.324 1.00 12.69 N +ANISOU 657 N TYR A 90 1131 1576 2114 -349 -15 572 N +ATOM 658 CA TYR A 90 -7.271 -17.763 42.900 1.00 12.93 C +ANISOU 658 CA TYR A 90 1177 1663 2071 -208 -153 428 C +ATOM 659 C TYR A 90 -6.687 -18.969 42.179 1.00 14.25 C +ANISOU 659 C TYR A 90 1050 1875 2489 -94 -417 33 C +ATOM 660 O TYR A 90 -7.136 -19.259 41.069 1.00 15.95 O +ANISOU 660 O TYR A 90 1584 2054 2423 59 -648 116 O +ATOM 661 CB TYR A 90 -6.506 -16.509 42.393 1.00 12.90 C +ANISOU 661 CB TYR A 90 1157 1758 1986 -197 164 383 C +ATOM 662 CG TYR A 90 -6.963 -15.278 43.135 1.00 12.43 C +ANISOU 662 CG TYR A 90 1365 1571 1786 25 69 582 C +ATOM 663 CD1 TYR A 90 -8.197 -14.712 42.795 1.00 14.60 C +ANISOU 663 CD1 TYR A 90 1360 2012 2177 102 70 411 C +ATOM 664 CD2 TYR A 90 -6.253 -14.699 44.163 1.00 12.91 C +ANISOU 664 CD2 TYR A 90 1390 1858 1657 -159 237 516 C +ATOM 665 CE1 TYR A 90 -8.692 -13.595 43.447 1.00 12.98 C +ANISOU 665 CE1 TYR A 90 1220 1619 2093 132 -196 724 C +ATOM 666 CE2 TYR A 90 -6.715 -13.575 44.820 1.00 12.17 C +ANISOU 666 CE2 TYR A 90 1325 1909 1389 -53 9 566 C +ATOM 667 CZ TYR A 90 -7.930 -13.040 44.452 1.00 13.05 C +ANISOU 667 CZ TYR A 90 1323 2229 1406 10 207 664 C +ATOM 668 OH TYR A 90 -8.378 -11.922 45.093 1.00 13.61 O +ANISOU 668 OH TYR A 90 1083 2185 1905 -25 102 495 O +ATOM 669 N LEU A 91 -5.713 -19.622 42.724 1.00 13.45 N +ANISOU 669 N LEU A 91 857 2119 2136 -129 -86 447 N +ATOM 670 CA LEU A 91 -5.044 -20.781 42.146 1.00 15.40 C +ANISOU 670 CA LEU A 91 908 1946 2996 12 90 742 C +ATOM 671 C LEU A 91 -5.162 -21.946 43.124 1.00 13.11 C +ANISOU 671 C LEU A 91 1021 1970 1989 -389 216 286 C +ATOM 672 O LEU A 91 -4.286 -22.185 43.939 1.00 13.70 O +ANISOU 672 O LEU A 91 976 1574 2657 30 162 447 O +ATOM 673 CB LEU A 91 -3.567 -20.445 41.885 1.00 13.81 C +ANISOU 673 CB LEU A 91 918 1706 2622 -157 44 794 C +ATOM 674 CG LEU A 91 -3.359 -19.323 40.834 1.00 15.60 C +ANISOU 674 CG LEU A 91 1281 2011 2634 -280 -281 955 C +ATOM 675 CD1 LEU A 91 -1.918 -18.854 40.902 1.00 15.04 C +ANISOU 675 CD1 LEU A 91 1275 1641 2799 -306 206 713 C +ATOM 676 CD2 LEU A 91 -3.739 -19.824 39.452 1.00 17.81 C +ANISOU 676 CD2 LEU A 91 1432 2733 2603 65 -338 796 C +ATOM 677 N PRO A 92 -6.328 -22.609 43.256 1.00 14.58 N +ANISOU 677 N PRO A 92 1177 1923 2440 -413 -25 271 N +ATOM 678 CA PRO A 92 -6.580 -23.515 44.390 1.00 14.55 C +ANISOU 678 CA PRO A 92 1227 1814 2486 -556 309 192 C +ATOM 679 C PRO A 92 -5.577 -24.661 44.365 1.00 18.33 C +ANISOU 679 C PRO A 92 1538 1509 3917 -527 393 488 C +ATOM 680 O PRO A 92 -5.212 -25.211 43.322 1.00 17.93 O +ANISOU 680 O PRO A 92 1430 1408 3976 -147 218 463 O +ATOM 681 CB PRO A 92 -8.005 -24.011 44.142 1.00 17.39 C +ANISOU 681 CB PRO A 92 1315 2739 2553 -787 198 -19 C +ATOM 682 CG PRO A 92 -8.181 -23.818 42.663 1.00 25.00 C +ANISOU 682 CG PRO A 92 2375 4390 2734 -2117 -207 489 C +ATOM 683 CD PRO A 92 -7.497 -22.488 42.385 1.00 19.93 C +ANISOU 683 CD PRO A 92 1899 3477 2196 -1394 -581 159 C +ATOM 684 N GLY A 93 -5.127 -24.998 45.563 1.00 17.59 N +ANISOU 684 N GLY A 93 1391 1474 3818 -104 1055 801 N +ATOM 685 CA GLY A 93 -4.210 -26.091 45.741 1.00 21.16 C +ANISOU 685 CA GLY A 93 1515 1559 4965 -29 1135 1215 C +ATOM 686 C GLY A 93 -2.803 -25.718 45.331 1.00 18.65 C +ANISOU 686 C GLY A 93 1506 1637 3945 118 1167 1037 C +ATOM 687 O GLY A 93 -1.901 -26.616 45.393 1.00 17.54 O +ANISOU 687 O GLY A 93 1531 1648 3486 96 677 744 O +ATOM 688 N LEU A 94 -2.518 -24.454 44.918 1.00 14.07 N +ANISOU 688 N LEU A 94 1126 1664 2557 -148 604 707 N +ATOM 689 CA LEU A 94 -1.166 -24.195 44.372 1.00 12.25 C +ANISOU 689 CA LEU A 94 995 1584 2075 73 366 787 C +ATOM 690 C LEU A 94 -0.114 -24.303 45.455 1.00 12.50 C +ANISOU 690 C LEU A 94 1227 1408 2115 185 253 693 C +ATOM 691 O LEU A 94 0.904 -24.965 45.246 1.00 13.19 O +ANISOU 691 O LEU A 94 1319 1525 2169 311 74 639 O +ATOM 692 CB LEU A 94 -1.130 -22.809 43.720 1.00 11.69 C +ANISOU 692 CB LEU A 94 930 1482 2028 -195 169 761 C +ATOM 693 CG LEU A 94 0.207 -22.570 43.023 1.00 11.91 C +ANISOU 693 CG LEU A 94 926 1444 2157 85 333 552 C +ATOM 694 CD1 LEU A 94 0.257 -23.405 41.762 1.00 13.75 C +ANISOU 694 CD1 LEU A 94 1045 1902 2277 -42 198 341 C +ATOM 695 CD2 LEU A 94 0.348 -21.104 42.726 1.00 13.45 C +ANISOU 695 CD2 LEU A 94 964 1507 2640 -222 345 722 C +ATOM 696 N LEU A 95 -0.325 -23.565 46.552 1.00 14.02 N +ANISOU 696 N LEU A 95 1439 1950 1939 154 498 703 N +ATOM 697 CA LEU A 95 0.696 -23.438 47.589 1.00 13.80 C +ANISOU 697 CA LEU A 95 1561 1907 1776 294 532 586 C +ATOM 698 C LEU A 95 0.336 -24.241 48.828 1.00 14.66 C +ANISOU 698 C LEU A 95 1756 1843 1973 297 579 760 C +ATOM 699 O LEU A 95 -0.832 -24.435 49.125 1.00 15.82 O +ANISOU 699 O LEU A 95 1928 1545 2538 242 958 721 O +ATOM 700 CB LEU A 95 0.923 -21.983 48.002 1.00 13.82 C +ANISOU 700 CB LEU A 95 1481 1807 1964 254 559 637 C +ATOM 701 CG LEU A 95 1.210 -21.039 46.834 1.00 13.41 C +ANISOU 701 CG LEU A 95 1169 2053 1872 -315 645 412 C +ATOM 702 CD1 LEU A 95 1.435 -19.634 47.366 1.00 14.51 C +ANISOU 702 CD1 LEU A 95 1014 1665 2833 289 57 478 C +ATOM 703 CD2 LEU A 95 2.425 -21.557 46.025 1.00 15.20 C +ANISOU 703 CD2 LEU A 95 1491 2477 1808 553 566 602 C +ATOM 704 N PRO A 96 1.312 -24.723 49.565 1.00 18.54 N +ANISOU 704 N PRO A 96 2155 2632 2259 617 567 1142 N +ATOM 705 CA PRO A 96 1.012 -25.533 50.744 1.00 19.69 C +ANISOU 705 CA PRO A 96 2801 2157 2522 1091 832 1232 C +ATOM 706 C PRO A 96 0.438 -24.767 51.927 1.00 22.13 C +ANISOU 706 C PRO A 96 3421 2246 2740 1054 1436 1275 C +ATOM 707 O PRO A 96 0.009 -25.349 52.943 1.00 26.24 O +ANISOU 707 O PRO A 96 4178 2301 3491 1102 2202 1539 O +ATOM 708 CB PRO A 96 2.407 -26.122 51.080 1.00 23.60 C +ANISOU 708 CB PRO A 96 3324 3075 2570 1745 588 1135 C +ATOM 709 CG PRO A 96 3.346 -25.042 50.609 1.00 23.58 C +ANISOU 709 CG PRO A 96 2586 4517 1857 1211 417 1043 C +ATOM 710 CD PRO A 96 2.759 -24.632 49.284 1.00 21.58 C +ANISOU 710 CD PRO A 96 2033 4179 1987 1418 715 1197 C +ATOM 711 N ASP A 97 0.419 -23.449 51.899 1.00 18.15 N +ANISOU 711 N ASP A 97 2554 2225 2118 536 918 1009 N +ATOM 712 CA ASP A 97 -0.076 -22.632 52.986 1.00 17.68 C +ANISOU 712 CA ASP A 97 2724 2117 1878 621 728 1209 C +ATOM 713 C ASP A 97 -1.141 -21.740 52.345 1.00 16.54 C +ANISOU 713 C ASP A 97 1941 2421 1924 381 825 1130 C +ATOM 714 O ASP A 97 -0.784 -20.917 51.505 1.00 14.47 O +ANISOU 714 O ASP A 97 1188 2118 2193 171 266 1228 O +ATOM 715 CB ASP A 97 1.068 -21.860 53.640 1.00 19.27 C +ANISOU 715 CB ASP A 97 2347 2735 2241 1047 537 621 C +ATOM 716 CG ASP A 97 0.668 -21.190 54.953 1.00 17.36 C +ANISOU 716 CG ASP A 97 2454 2113 2029 1187 657 990 C +ATOM 717 OD1 ASP A 97 -0.533 -20.950 55.172 1.00 20.42 O +ANISOU 717 OD1 ASP A 97 2505 2290 2965 1076 996 866 O +ATOM 718 OD2 ASP A 97 1.599 -20.836 55.690 1.00 22.30 O +ANISOU 718 OD2 ASP A 97 2805 4161 1508 2040 238 790 O +ATOM 719 N ASP A 98 -2.380 -21.883 52.796 1.00 21.26 N +ANISOU 719 N ASP A 98 2127 2564 3386 -182 1061 1534 N +ATOM 720 CA ASP A 98 -3.459 -20.992 52.457 1.00 23.24 C +ANISOU 720 CA ASP A 98 1281 3527 4021 -479 377 1260 C +ATOM 721 C ASP A 98 -3.252 -19.574 52.899 1.00 18.20 C +ANISOU 721 C ASP A 98 1193 3211 2510 418 802 1500 C +ATOM 722 O ASP A 98 -3.957 -18.685 52.424 1.00 26.79 O +ANISOU 722 O ASP A 98 2806 4555 2816 2026 353 989 O +ATOM 723 CB ASP A 98 -4.717 -21.446 53.273 1.00 23.28 C +ANISOU 723 CB ASP A 98 1720 4151 2974 -883 443 111 C +ATOM 724 CG ASP A 98 -5.249 -22.706 52.611 1.00 30.17 C +ANISOU 724 CG ASP A 98 2982 5172 3309 -2185 1973 -764 C +ATOM 725 OD1 ASP A 98 -5.005 -22.752 51.380 1.00 24.45 O +ANISOU 725 OD1 ASP A 98 2190 4120 2981 -1330 1130 50 O +ATOM 726 OD2 ASP A 98 -5.804 -23.532 53.348 1.00 35.96 O +ANISOU 726 OD2 ASP A 98 5565 5518 2579 -3262 1851 -1014 O +ATOM 727 N ARG A 99 -2.372 -19.299 53.857 1.00 18.66 N +ANISOU 727 N ARG A 99 1444 3104 2540 186 712 1402 N +ATOM 728 CA ARG A 99 -2.276 -17.915 54.353 1.00 18.98 C +ANISOU 728 CA ARG A 99 2328 3156 1726 782 1072 1286 C +ATOM 729 C ARG A 99 -1.300 -17.079 53.560 1.00 13.82 C +ANISOU 729 C ARG A 99 1210 2870 1171 212 221 370 C +ATOM 730 O ARG A 99 -1.302 -15.887 53.796 1.00 20.70 O +ANISOU 730 O ARG A 99 2668 3056 2142 -112 942 -162 O +ATOM 731 CB ARG A 99 -1.870 -17.830 55.840 1.00 28.63 C +ANISOU 731 CB ARG A 99 3382 5817 1680 -230 1170 882 C +ATOM 732 CG ARG A 99 -0.521 -17.146 56.165 1.00 34.73 C +ANISOU 732 CG ARG A 99 2381 8608 2208 213 1016 219 C +ATOM 733 CD ARG A 99 -0.505 -16.476 57.562 1.00 34.79 C +ANISOU 733 CD ARG A 99 3188 7108 2921 -1099 1726 -181 C +ATOM 734 NE ARG A 99 0.772 -16.508 58.243 1.00 35.82 N +ANISOU 734 NE ARG A 99 5509 5538 2562 -1888 -392 2193 N +ATOM 735 CZ ARG A 99 1.697 -15.605 58.506 1.00 30.86 C +ANISOU 735 CZ ARG A 99 5704 3101 2921 197 -1900 419 C +ATOM 736 NH1 ARG A 99 2.897 -15.747 59.136 1.00 17.61 N +ANISOU 736 NH1 ARG A 99 3473 1854 1365 1184 867 514 N +ATOM 737 NH2 ARG A 99 1.465 -14.354 58.135 1.00 30.85 N +ANISOU 737 NH2 ARG A 99 3528 4142 4052 696 -316 2332 N +ATOM 738 N ILE A 100 -0.579 -17.674 52.599 1.00 13.95 N +ANISOU 738 N ILE A 100 1404 2502 1394 427 543 808 N +ATOM 739 CA ILE A 100 0.307 -16.856 51.770 1.00 11.07 C +ANISOU 739 CA ILE A 100 1019 1572 1616 239 328 424 C +ATOM 740 C ILE A 100 -0.539 -16.002 50.851 1.00 11.47 C +ANISOU 740 C ILE A 100 1078 1661 1619 131 316 526 C +ATOM 741 O ILE A 100 -1.365 -16.529 50.097 1.00 10.97 O +ANISOU 741 O ILE A 100 1144 1409 1614 191 236 571 O +ATOM 742 CB ILE A 100 1.260 -17.728 50.972 1.00 11.89 C +ANISOU 742 CB ILE A 100 1177 1707 1632 288 562 673 C +ATOM 743 CG1 ILE A 100 2.284 -18.433 51.892 1.00 14.49 C +ANISOU 743 CG1 ILE A 100 1297 2451 1756 742 611 883 C +ATOM 744 CG2 ILE A 100 1.992 -16.866 49.916 1.00 12.74 C +ANISOU 744 CG2 ILE A 100 1312 1497 2031 205 652 746 C +ATOM 745 CD1 ILE A 100 3.005 -19.557 51.184 1.00 16.71 C +ANISOU 745 CD1 ILE A 100 1732 2346 2271 917 962 1058 C +ATOM 746 N THR A 101 -0.339 -14.699 50.926 1.00 10.38 N +ANISOU 746 N THR A 101 1079 1643 1220 337 117 248 N +ATOM 747 CA THR A 101 -1.156 -13.775 50.149 1.00 10.22 C +ANISOU 747 CA THR A 101 1086 1517 1279 276 205 263 C +ATOM 748 C THR A 101 -0.462 -13.210 48.926 1.00 9.03 C +ANISOU 748 C THR A 101 954 1097 1379 242 201 144 C +ATOM 749 O THR A 101 0.742 -13.308 48.729 1.00 9.69 O +ANISOU 749 O THR A 101 938 1181 1565 238 267 293 O +ATOM 750 CB THR A 101 -1.619 -12.576 51.024 1.00 10.70 C +ANISOU 750 CB THR A 101 1083 1531 1450 169 381 151 C +ATOM 751 OG1 THR A 101 -0.472 -11.776 51.294 1.00 10.77 O +ANISOU 751 OG1 THR A 101 1073 1685 1333 166 194 167 O +ATOM 752 CG2 THR A 101 -2.256 -13.081 52.321 1.00 13.32 C +ANISOU 752 CG2 THR A 101 1585 1916 1561 4 567 180 C +ATOM 753 N VAL A 102 -1.275 -12.603 48.056 1.00 9.56 N +ANISOU 753 N VAL A 102 935 1429 1269 175 244 317 N +ATOM 754 CA VAL A 102 -0.753 -11.989 46.836 1.00 9.65 C +ANISOU 754 CA VAL A 102 769 1640 1259 14 144 255 C +ATOM 755 C VAL A 102 0.251 -10.882 47.188 1.00 9.05 C +ANISOU 755 C VAL A 102 894 1308 1237 139 220 251 C +ATOM 756 O VAL A 102 1.319 -10.832 46.530 1.00 9.32 O +ANISOU 756 O VAL A 102 798 1426 1318 165 230 343 O +ATOM 757 CB VAL A 102 -1.914 -11.463 45.979 1.00 10.98 C +ANISOU 757 CB VAL A 102 991 1585 1595 9 -41 522 C +ATOM 758 CG1 VAL A 102 -1.402 -10.686 44.793 1.00 12.56 C +ANISOU 758 CG1 VAL A 102 1144 1913 1713 -214 -53 641 C +ATOM 759 CG2 VAL A 102 -2.808 -12.631 45.521 1.00 11.90 C +ANISOU 759 CG2 VAL A 102 1133 1782 1606 -195 -174 427 C +ATOM 760 N ARG A 103 -0.054 -10.061 48.167 1.00 9.37 N +ANISOU 760 N ARG A 103 771 1372 1416 193 204 170 N +ATOM 761 CA ARG A 103 0.853 -8.992 48.556 1.00 9.24 C +ANISOU 761 CA ARG A 103 762 1379 1370 175 201 175 C +ATOM 762 C ARG A 103 2.202 -9.552 49.028 1.00 8.98 C +ANISOU 762 C ARG A 103 808 1190 1413 272 161 175 C +ATOM 763 O ARG A 103 3.244 -8.999 48.709 1.00 9.12 O +ANISOU 763 O ARG A 103 869 1348 1249 150 133 172 O +ATOM 764 CB ARG A 103 0.235 -8.099 49.669 1.00 9.82 C +ANISOU 764 CB ARG A 103 944 1404 1383 340 299 164 C +ATOM 765 CG ARG A 103 0.969 -6.775 49.831 1.00 10.46 C +ANISOU 765 CG ARG A 103 1153 1461 1361 261 339 132 C +ATOM 766 CD ARG A 103 0.488 -6.013 51.063 1.00 11.54 C +ANISOU 766 CD ARG A 103 1139 1705 1540 494 427 -57 C +ATOM 767 NE ARG A 103 -0.952 -5.660 51.017 1.00 10.87 N +ANISOU 767 NE ARG A 103 1131 1513 1487 331 325 122 N +ATOM 768 CZ ARG A 103 -1.411 -4.515 50.463 1.00 10.79 C +ANISOU 768 CZ ARG A 103 1048 1352 1698 222 313 116 C +ATOM 769 NH1 ARG A 103 -0.617 -3.656 49.859 1.00 11.34 N +ANISOU 769 NH1 ARG A 103 1050 1834 1423 -86 142 218 N +ATOM 770 NH2 ARG A 103 -2.718 -4.297 50.508 1.00 12.29 N +ANISOU 770 NH2 ARG A 103 1071 1516 2084 234 429 239 N +ATOM 771 N GLN A 104 2.139 -10.627 49.812 1.00 9.51 N +ANISOU 771 N GLN A 104 905 1330 1380 229 99 213 N +ATOM 772 CA GLN A 104 3.385 -11.274 50.305 1.00 9.69 C +ANISOU 772 CA GLN A 104 1082 1350 1249 390 266 379 C +ATOM 773 C GLN A 104 4.204 -11.783 49.133 1.00 8.62 C +ANISOU 773 C GLN A 104 851 1270 1154 262 17 398 C +ATOM 774 O GLN A 104 5.413 -11.619 49.084 1.00 10.07 O +ANISOU 774 O GLN A 104 914 1644 1268 281 223 35 O +ATOM 775 CB GLN A 104 3.024 -12.401 51.273 1.00 10.15 C +ANISOU 775 CB GLN A 104 1392 1243 1222 398 407 247 C +ATOM 776 CG GLN A 104 2.478 -11.874 52.612 1.00 10.89 C +ANISOU 776 CG GLN A 104 1527 1501 1109 463 364 323 C +ATOM 777 CD GLN A 104 1.788 -12.995 53.386 1.00 11.37 C +ANISOU 777 CD GLN A 104 1365 1663 1294 460 265 532 C +ATOM 778 OE1 GLN A 104 1.641 -14.106 52.885 1.00 11.65 O +ANISOU 778 OE1 GLN A 104 1332 1714 1382 235 205 463 O +ATOM 779 NE2 GLN A 104 1.419 -12.683 54.620 1.00 12.76 N +ANISOU 779 NE2 GLN A 104 1630 1860 1357 120 436 459 N +ATOM 780 N VAL A 105 3.528 -12.414 48.145 1.00 8.50 N +ANISOU 780 N VAL A 105 860 1194 1175 270 177 383 N +ATOM 781 CA VAL A 105 4.275 -12.899 46.954 1.00 9.51 C +ANISOU 781 CA VAL A 105 1079 1198 1335 131 307 281 C +ATOM 782 C VAL A 105 4.943 -11.736 46.247 1.00 8.17 C +ANISOU 782 C VAL A 105 879 1151 1077 245 156 220 C +ATOM 783 O VAL A 105 6.115 -11.769 45.862 1.00 8.59 O +ANISOU 783 O VAL A 105 929 1097 1237 214 268 163 O +ATOM 784 CB VAL A 105 3.308 -13.663 46.055 1.00 11.99 C +ANISOU 784 CB VAL A 105 1868 1203 1483 -180 191 285 C +ATOM 785 CG1 VAL A 105 3.739 -13.878 44.645 1.00 12.90 C +ANISOU 785 CG1 VAL A 105 1871 1586 1443 72 138 259 C +ATOM 786 CG2 VAL A 105 3.092 -15.059 46.726 1.00 12.46 C +ANISOU 786 CG2 VAL A 105 1954 1069 1712 -81 230 314 C +ATOM 787 N MET A 106 4.165 -10.658 46.017 1.00 7.78 N +ANISOU 787 N MET A 106 795 1120 1039 195 180 167 N +ATOM 788 CA MET A 106 4.694 -9.538 45.193 1.00 8.15 C +ANISOU 788 CA MET A 106 831 1224 1042 115 85 309 C +ATOM 789 C MET A 106 5.825 -8.766 45.859 1.00 7.72 C +ANISOU 789 C MET A 106 726 1185 1024 234 83 201 C +ATOM 790 O MET A 106 6.545 -8.040 45.151 1.00 8.10 O +ANISOU 790 O MET A 106 838 1110 1128 176 118 194 O +ATOM 791 CB MET A 106 3.558 -8.599 44.818 1.00 9.31 C +ANISOU 791 CB MET A 106 749 1446 1342 201 40 412 C +ATOM 792 CG MET A 106 2.506 -9.215 43.887 1.00 8.61 C +ANISOU 792 CG MET A 106 962 1331 980 398 79 166 C +ATOM 793 SD MET A 106 1.165 -8.059 43.518 1.00 11.43 S +ANISOU 793 SD MET A 106 980 1810 1554 381 4 384 S +ATOM 794 CE MET A 106 2.015 -7.011 42.328 1.00 12.01 C +ANISOU 794 CE MET A 106 1605 1553 1405 227 -184 395 C +ATOM 795 N SER A 107 5.968 -8.892 47.172 1.00 7.88 N +ANISOU 795 N SER A 107 850 1071 1074 204 49 179 N +ATOM 796 CA SER A 107 6.979 -8.156 47.943 1.00 8.49 C +ANISOU 796 CA SER A 107 989 1207 1030 213 -49 151 C +ATOM 797 C SER A 107 8.066 -9.109 48.447 1.00 7.63 C +ANISOU 797 C SER A 107 849 1019 1031 72 79 294 C +ATOM 798 O SER A 107 8.888 -8.715 49.266 1.00 8.85 O +ANISOU 798 O SER A 107 1080 1263 1021 196 57 86 O +ATOM 799 CB SER A 107 6.344 -7.401 49.126 1.00 10.00 C +ANISOU 799 CB SER A 107 1260 1276 1263 159 198 -42 C +ATOM 800 OG SER A 107 5.685 -8.330 49.976 1.00 10.09 O +ANISOU 800 OG SER A 107 1111 1551 1172 157 39 106 O +ATOM 801 N HIS A 108 8.069 -10.371 47.987 1.00 8.14 N +ANISOU 801 N HIS A 108 885 1098 1109 212 192 240 N +ATOM 802 CA HIS A 108 9.089 -11.372 48.396 1.00 8.61 C +ANISOU 802 CA HIS A 108 953 1231 1087 355 100 370 C +ATOM 803 C HIS A 108 9.056 -11.627 49.887 1.00 8.81 C +ANISOU 803 C HIS A 108 977 1266 1104 184 94 296 C +ATOM 804 O HIS A 108 10.102 -11.804 50.531 1.00 10.50 O +ANISOU 804 O HIS A 108 1064 1828 1096 426 57 305 O +ATOM 805 CB HIS A 108 10.496 -10.979 47.929 1.00 8.42 C +ANISOU 805 CB HIS A 108 916 1289 995 165 -38 208 C +ATOM 806 CG HIS A 108 10.573 -10.834 46.438 1.00 7.91 C +ANISOU 806 CG HIS A 108 910 1004 1093 54 -7 181 C +ATOM 807 ND1 HIS A 108 10.440 -11.923 45.568 1.00 7.76 N +ANISOU 807 ND1 HIS A 108 894 980 1073 -2 -38 226 N +ATOM 808 CD2 HIS A 108 10.801 -9.757 45.716 1.00 8.91 C +ANISOU 808 CD2 HIS A 108 1211 956 1218 -16 -128 245 C +ATOM 809 CE1 HIS A 108 10.569 -11.413 44.333 1.00 7.89 C +ANISOU 809 CE1 HIS A 108 877 1017 1103 -114 80 289 C +ATOM 810 NE2 HIS A 108 10.771 -10.105 44.382 1.00 8.00 N +ANISOU 810 NE2 HIS A 108 929 882 1228 58 62 237 N +ATOM 811 N ARG A 109 7.857 -11.640 50.445 1.00 8.97 N +ANISOU 811 N ARG A 109 1003 1333 1073 199 108 393 N +ATOM 812 CA ARG A 109 7.679 -11.993 51.857 1.00 9.97 C +ANISOU 812 CA ARG A 109 1370 1423 996 117 151 331 C +ATOM 813 C ARG A 109 6.895 -13.297 52.019 1.00 9.45 C +ANISOU 813 C ARG A 109 1246 1410 934 124 -29 402 C +ATOM 814 O ARG A 109 6.320 -13.603 53.045 1.00 15.65 O +ANISOU 814 O ARG A 109 2525 2336 1085 -737 283 290 O +ATOM 815 CB ARG A 109 7.019 -10.862 52.665 1.00 10.94 C +ANISOU 815 CB ARG A 109 1473 1441 1241 249 106 257 C +ATOM 816 CG ARG A 109 7.832 -9.552 52.647 1.00 10.66 C +ANISOU 816 CG ARG A 109 1275 1564 1212 129 166 250 C +ATOM 817 CD ARG A 109 7.149 -8.423 53.420 1.00 11.66 C +ANISOU 817 CD ARG A 109 1364 1809 1259 79 90 -65 C +ATOM 818 NE ARG A 109 5.875 -8.075 52.797 1.00 12.26 N +ANISOU 818 NE ARG A 109 1269 1917 1473 281 266 89 N +ATOM 819 CZ ARG A 109 4.643 -8.325 53.318 1.00 12.22 C +ANISOU 819 CZ ARG A 109 1339 1785 1521 231 239 46 C +ATOM 820 NH1 ARG A 109 4.487 -8.912 54.504 1.00 13.76 N +ANISOU 820 NH1 ARG A 109 1787 2135 1306 -201 393 -162 N +ATOM 821 NH2 ARG A 109 3.599 -7.936 52.581 1.00 15.53 N +ANISOU 821 NH2 ARG A 109 1347 2907 1647 598 46 -405 N +ATOM 822 N SER A 110 6.868 -14.121 50.976 1.00 10.69 N +ANISOU 822 N SER A 110 1625 1047 1391 141 308 326 N +ATOM 823 CA SER A 110 6.053 -15.325 51.011 1.00 10.32 C +ANISOU 823 CA SER A 110 1472 1086 1361 235 167 268 C +ATOM 824 C SER A 110 6.723 -16.559 51.611 1.00 9.60 C +ANISOU 824 C SER A 110 1460 1078 1110 286 315 312 C +ATOM 825 O SER A 110 6.054 -17.522 51.955 1.00 11.73 O +ANISOU 825 O SER A 110 1526 1394 1538 250 502 618 O +ATOM 826 CB SER A 110 5.701 -15.730 49.576 1.00 9.78 C +ANISOU 826 CB SER A 110 1382 1038 1298 391 162 292 C +ATOM 827 OG SER A 110 6.908 -16.017 48.904 1.00 10.07 O +ANISOU 827 OG SER A 110 1247 1194 1387 -6 310 345 O +ATOM 828 N GLY A 111 8.057 -16.523 51.686 1.00 10.56 N +ANISOU 828 N GLY A 111 1440 1210 1361 325 352 453 N +ATOM 829 CA GLY A 111 8.831 -17.678 52.086 1.00 11.47 C +ANISOU 829 CA GLY A 111 1691 1371 1294 608 395 262 C +ATOM 830 C GLY A 111 9.033 -18.717 50.989 1.00 9.71 C +ANISOU 830 C GLY A 111 1237 1174 1277 171 362 323 C +ATOM 831 O GLY A 111 9.703 -19.731 51.234 1.00 10.64 O +ANISOU 831 O GLY A 111 1401 1125 1516 326 374 343 O +ATOM 832 N LEU A 112 8.485 -18.501 49.773 1.00 10.25 N +ANISOU 832 N LEU A 112 1108 1612 1174 295 489 245 N +ATOM 833 CA LEU A 112 8.646 -19.535 48.734 1.00 9.81 C +ANISOU 833 CA LEU A 112 1012 1329 1386 348 324 171 C +ATOM 834 C LEU A 112 10.107 -19.677 48.317 1.00 9.00 C +ANISOU 834 C LEU A 112 1000 1135 1286 283 285 284 C +ATOM 835 O LEU A 112 10.781 -18.683 47.990 1.00 12.39 O +ANISOU 835 O LEU A 112 1233 1438 2037 247 668 534 O +ATOM 836 CB LEU A 112 7.812 -19.202 47.478 1.00 9.79 C +ANISOU 836 CB LEU A 112 1035 1359 1327 341 263 71 C +ATOM 837 CG LEU A 112 6.313 -19.240 47.740 1.00 11.16 C +ANISOU 837 CG LEU A 112 1049 1439 1751 169 97 227 C +ATOM 838 CD1 LEU A 112 5.569 -18.833 46.466 1.00 12.32 C +ANISOU 838 CD1 LEU A 112 1058 1579 2046 164 -32 495 C +ATOM 839 CD2 LEU A 112 5.805 -20.592 48.234 1.00 13.66 C +ANISOU 839 CD2 LEU A 112 1145 1666 2378 209 67 719 C +ATOM 840 N TYR A 113 10.626 -20.876 48.259 1.00 9.37 N +ANISOU 840 N TYR A 113 935 1284 1340 360 178 159 N +ATOM 841 CA TYR A 113 12.019 -21.128 47.909 1.00 9.34 C +ANISOU 841 CA TYR A 113 900 1303 1346 345 261 381 C +ATOM 842 C TYR A 113 12.257 -20.781 46.467 1.00 8.67 C +ANISOU 842 C TYR A 113 992 1103 1198 148 42 143 C +ATOM 843 O TYR A 113 11.428 -21.099 45.608 1.00 9.04 O +ANISOU 843 O TYR A 113 985 1057 1391 192 -33 214 O +ATOM 844 CB TYR A 113 12.286 -22.599 48.167 1.00 9.49 C +ANISOU 844 CB TYR A 113 854 1145 1609 260 141 370 C +ATOM 845 CG TYR A 113 13.703 -23.032 47.745 1.00 8.27 C +ANISOU 845 CG TYR A 113 844 1128 1168 72 35 238 C +ATOM 846 CD1 TYR A 113 14.778 -22.816 48.594 1.00 10.58 C +ANISOU 846 CD1 TYR A 113 868 1602 1548 190 -231 135 C +ATOM 847 CD2 TYR A 113 13.915 -23.661 46.527 1.00 8.80 C +ANISOU 847 CD2 TYR A 113 990 1033 1319 110 39 141 C +ATOM 848 CE1 TYR A 113 16.030 -23.214 48.179 1.00 11.55 C +ANISOU 848 CE1 TYR A 113 982 1608 1801 238 -175 -111 C +ATOM 849 CE2 TYR A 113 15.192 -24.055 46.146 1.00 9.26 C +ANISOU 849 CE2 TYR A 113 1081 1007 1429 278 -11 170 C +ATOM 850 CZ TYR A 113 16.237 -23.822 46.992 1.00 10.39 C +ANISOU 850 CZ TYR A 113 1004 1478 1465 245 -82 331 C +ATOM 851 OH TYR A 113 17.509 -24.238 46.651 1.00 13.98 O +ANISOU 851 OH TYR A 113 993 2115 2206 393 -94 -180 O +ATOM 852 N ASP A 114 13.401 -20.197 46.175 1.00 8.61 N +ANISOU 852 N ASP A 114 968 1128 1177 178 78 307 N +ATOM 853 CA ASP A 114 13.759 -19.837 44.809 1.00 8.63 C +ANISOU 853 CA ASP A 114 1062 1018 1200 179 154 162 C +ATOM 854 C ASP A 114 14.383 -21.037 44.086 1.00 9.85 C +ANISOU 854 C ASP A 114 1437 1023 1281 243 242 238 C +ATOM 855 O ASP A 114 15.535 -21.395 44.339 1.00 10.67 O +ANISOU 855 O ASP A 114 1677 1151 1226 544 243 286 O +ATOM 856 CB ASP A 114 14.726 -18.636 44.813 1.00 9.73 C +ANISOU 856 CB ASP A 114 1310 1032 1355 88 188 256 C +ATOM 857 CG ASP A 114 14.821 -18.038 43.428 1.00 9.27 C +ANISOU 857 CG ASP A 114 986 1113 1422 226 366 243 C +ATOM 858 OD1 ASP A 114 14.657 -18.799 42.425 1.00 10.05 O +ANISOU 858 OD1 ASP A 114 1496 937 1388 212 -3 341 O +ATOM 859 OD2 ASP A 114 15.063 -16.830 43.292 1.00 8.87 O +ANISOU 859 OD2 ASP A 114 996 1159 1215 28 71 233 O +ATOM 860 N TYR A 115 13.616 -21.654 43.160 1.00 11.12 N +ANISOU 860 N TYR A 115 1917 1050 1256 72 258 88 N +ATOM 861 CA TYR A 115 14.017 -22.848 42.388 1.00 12.74 C +ANISOU 861 CA TYR A 115 2386 982 1474 121 486 152 C +ATOM 862 C TYR A 115 15.320 -22.564 41.636 1.00 11.96 C +ANISOU 862 C TYR A 115 2370 1068 1107 417 429 392 C +ATOM 863 O TYR A 115 15.997 -23.491 41.260 1.00 12.11 O +ANISOU 863 O TYR A 115 2219 1214 1169 497 6 84 O +ATOM 864 CB TYR A 115 12.849 -23.393 41.494 1.00 14.38 C +ANISOU 864 CB TYR A 115 2873 1186 1403 -330 508 -16 C +ATOM 865 CG TYR A 115 12.489 -22.276 40.524 1.00 11.42 C +ANISOU 865 CG TYR A 115 1847 1084 1407 -458 382 -159 C +ATOM 866 CD1 TYR A 115 13.148 -22.134 39.313 1.00 11.05 C +ANISOU 866 CD1 TYR A 115 1700 1369 1129 10 170 -1 C +ATOM 867 CD2 TYR A 115 11.499 -21.367 40.862 1.00 11.74 C +ANISOU 867 CD2 TYR A 115 1544 1339 1579 -561 394 -333 C +ATOM 868 CE1 TYR A 115 12.822 -21.118 38.455 1.00 9.60 C +ANISOU 868 CE1 TYR A 115 962 1253 1433 63 136 39 C +ATOM 869 CE2 TYR A 115 11.211 -20.330 40.000 1.00 11.82 C +ANISOU 869 CE2 TYR A 115 1012 1829 1648 -115 197 -285 C +ATOM 870 CZ TYR A 115 11.846 -20.209 38.799 1.00 10.07 C +ANISOU 870 CZ TYR A 115 758 1461 1605 -40 157 -127 C +ATOM 871 OH TYR A 115 11.577 -19.164 37.976 1.00 11.11 O +ANISOU 871 OH TYR A 115 1059 1585 1576 433 -167 -258 O +ATOM 872 N THR A 116 15.613 -21.275 41.325 1.00 10.16 N +ANISOU 872 N THR A 116 1741 1068 1054 159 142 98 N +ATOM 873 CA THR A 116 16.783 -21.028 40.514 1.00 10.53 C +ANISOU 873 CA THR A 116 1699 1050 1251 342 213 139 C +ATOM 874 C THR A 116 18.047 -21.338 41.291 1.00 10.73 C +ANISOU 874 C THR A 116 1778 1199 1099 287 122 119 C +ATOM 875 O THR A 116 19.099 -21.576 40.654 1.00 12.69 O +ANISOU 875 O THR A 116 1972 1668 1181 845 105 131 O +ATOM 876 CB THR A 116 16.883 -19.597 39.942 1.00 10.17 C +ANISOU 876 CB THR A 116 1273 1089 1500 194 147 215 C +ATOM 877 OG1 THR A 116 16.925 -18.672 41.013 1.00 11.13 O +ANISOU 877 OG1 THR A 116 1490 1150 1589 216 173 129 O +ATOM 878 CG2 THR A 116 15.717 -19.260 39.033 1.00 12.06 C +ANISOU 878 CG2 THR A 116 1627 1343 1613 158 -89 393 C +ATOM 879 N ASN A 117 18.015 -21.423 42.612 1.00 12.33 N +ANISOU 879 N ASN A 117 2279 1269 1137 569 90 109 N +ATOM 880 CA ASN A 117 19.173 -21.863 43.364 1.00 16.43 C +ANISOU 880 CA ASN A 117 3191 1913 1136 1171 -206 156 C +ATOM 881 C ASN A 117 19.547 -23.334 43.089 1.00 17.29 C +ANISOU 881 C ASN A 117 3036 2072 1462 1433 -442 -133 C +ATOM 882 O ASN A 117 20.697 -23.652 43.345 1.00 22.27 O +ANISOU 882 O ASN A 117 3468 2964 2031 1908 -1039 -549 O +ATOM 883 CB AASN A 117 18.918 -21.649 44.866 0.53 21.09 C +ANISOU 883 CB AASN A 117 4121 2672 1221 2187 -239 -34 C +ATOM 884 CB BASN A 117 18.934 -21.717 44.870 0.47 21.38 C +ANISOU 884 CB BASN A 117 4272 2666 1187 1784 -343 -194 C +ATOM 885 CG AASN A 117 18.802 -20.204 45.299 0.53 23.99 C +ANISOU 885 CG AASN A 117 4735 2774 1605 1986 -327 -362 C +ATOM 886 CG BASN A 117 18.848 -20.250 45.251 0.47 23.06 C +ANISOU 886 CG BASN A 117 4897 2653 1211 2063 -1152 -216 C +ATOM 887 OD1AASN A 117 19.208 -19.837 46.416 0.53 26.53 O +ANISOU 887 OD1AASN A 117 5080 2881 2118 1526 -956 -315 O +ATOM 888 OD1BASN A 117 18.005 -19.952 46.094 0.47 23.20 O +ANISOU 888 OD1BASN A 117 2810 2816 3188 2020 -1562 -1134 O +ATOM 889 ND2AASN A 117 18.237 -19.351 44.461 0.53 15.18 N +ANISOU 889 ND2AASN A 117 1716 2023 2028 1189 -254 -634 N +ATOM 890 ND2BASN A 117 19.695 -19.430 44.661 0.47 26.87 N +ANISOU 890 ND2BASN A 117 4925 2715 2572 1319 -814 -1039 N +ATOM 891 N ASP A 118 18.597 -24.096 42.578 1.00 14.66 N +ANISOU 891 N ASP A 118 2741 1630 1197 901 589 464 N +ATOM 892 CA ASP A 118 18.831 -25.486 42.145 1.00 15.76 C +ANISOU 892 CA ASP A 118 2877 1641 1472 832 738 446 C +ATOM 893 C AASP A 118 19.111 -25.667 40.654 0.44 14.18 C +ANISOU 893 C AASP A 118 2616 1383 1389 871 296 327 C +ATOM 894 C BASP A 118 19.492 -25.442 40.786 0.56 15.71 C +ANISOU 894 C BASP A 118 2500 2162 1307 1322 513 362 C +ATOM 895 O AASP A 118 19.296 -26.780 40.154 0.44 11.31 O +ANISOU 895 O AASP A 118 1573 1026 1697 -109 511 289 O +ATOM 896 O BASP A 118 20.456 -26.111 40.469 0.56 23.33 O +ANISOU 896 O BASP A 118 4047 2890 1927 2638 868 433 O +ATOM 897 CB ASP A 118 17.529 -26.303 42.284 1.00 17.70 C +ANISOU 897 CB ASP A 118 3128 2035 1562 426 494 200 C +ATOM 898 CG ASP A 118 17.137 -26.548 43.727 1.00 13.93 C +ANISOU 898 CG ASP A 118 2071 1765 1457 257 257 -25 C +ATOM 899 OD1 ASP A 118 17.817 -26.084 44.665 1.00 13.79 O +ANISOU 899 OD1 ASP A 118 1838 1715 1686 90 120 267 O +ATOM 900 OD2 ASP A 118 16.094 -27.215 43.922 1.00 18.02 O +ANISOU 900 OD2 ASP A 118 2602 2337 1908 -440 221 -203 O +ATOM 901 N MET A 119 19.049 -24.583 39.914 1.00 9.37 N +ANISOU 901 N MET A 119 1188 1034 1340 85 196 185 N +ATOM 902 CA MET A 119 19.403 -24.581 38.502 1.00 9.11 C +ANISOU 902 CA MET A 119 1081 1154 1224 245 96 34 C +ATOM 903 C MET A 119 20.834 -24.094 38.245 1.00 9.05 C +ANISOU 903 C MET A 119 1145 1067 1227 227 72 186 C +ATOM 904 O MET A 119 21.414 -24.547 37.265 1.00 10.97 O +ANISOU 904 O MET A 119 1170 1298 1699 290 355 -68 O +ATOM 905 CB MET A 119 18.443 -23.708 37.690 1.00 9.21 C +ANISOU 905 CB MET A 119 1094 1097 1307 155 219 223 C +ATOM 906 CG MET A 119 17.038 -24.235 37.651 1.00 10.46 C +ANISOU 906 CG MET A 119 1152 1231 1593 159 -77 5 C +ATOM 907 SD MET A 119 15.956 -23.070 36.801 1.00 10.14 S +ANISOU 907 SD MET A 119 1149 1237 1468 105 46 126 S +ATOM 908 CE MET A 119 14.562 -24.116 36.476 1.00 12.17 C +ANISOU 908 CE MET A 119 1004 1586 2036 98 41 -279 C +ATOM 909 N PHE A 120 21.295 -23.120 39.051 1.00 10.14 N +ANISOU 909 N PHE A 120 1194 1596 1063 -27 -84 118 N +ATOM 910 CA PHE A 120 22.524 -22.415 38.657 1.00 10.37 C +ANISOU 910 CA PHE A 120 1238 1371 1330 -28 -111 239 C +ATOM 911 C PHE A 120 23.640 -22.549 39.694 1.00 11.52 C +ANISOU 911 C PHE A 120 1357 1709 1311 -222 -243 338 C +ATOM 912 O PHE A 120 24.497 -21.675 39.836 1.00 14.32 O +ANISOU 912 O PHE A 120 1551 2070 1820 -518 -493 575 O +ATOM 913 CB PHE A 120 22.226 -20.924 38.323 1.00 11.89 C +ANISOU 913 CB PHE A 120 1736 1299 1482 -21 -475 25 C +ATOM 914 CG PHE A 120 21.107 -20.776 37.300 1.00 9.38 C +ANISOU 914 CG PHE A 120 1137 1291 1137 -231 -20 123 C +ATOM 915 CD1 PHE A 120 21.224 -21.354 36.031 1.00 8.70 C +ANISOU 915 CD1 PHE A 120 1077 1054 1176 -288 -53 158 C +ATOM 916 CD2 PHE A 120 19.946 -20.101 37.568 1.00 11.55 C +ANISOU 916 CD2 PHE A 120 1430 1389 1570 23 -100 -173 C +ATOM 917 CE1 PHE A 120 20.208 -21.239 35.101 1.00 8.53 C +ANISOU 917 CE1 PHE A 120 1143 808 1289 69 -182 132 C +ATOM 918 CE2 PHE A 120 18.952 -19.957 36.645 1.00 10.59 C +ANISOU 918 CE2 PHE A 120 904 1770 1348 -244 212 -182 C +ATOM 919 CZ PHE A 120 19.035 -20.545 35.396 1.00 8.56 C +ANISOU 919 CZ PHE A 120 1104 922 1226 -46 250 175 C +ATOM 920 N ALA A 121 23.631 -23.671 40.398 1.00 13.45 N +ANISOU 920 N ALA A 121 1640 2070 1399 -338 -285 665 N +ATOM 921 CA ALA A 121 24.741 -23.938 41.291 1.00 14.11 C +ANISOU 921 CA ALA A 121 1660 2085 1617 -374 -311 860 C +ATOM 922 C ALA A 121 26.090 -23.924 40.567 1.00 13.03 C +ANISOU 922 C ALA A 121 1622 1866 1462 -28 -388 361 C +ATOM 923 O ALA A 121 27.060 -23.469 41.181 1.00 12.97 O +ANISOU 923 O ALA A 121 1573 2126 1229 -83 -315 418 O +ATOM 924 CB ALA A 121 24.556 -25.256 42.014 1.00 18.08 C +ANISOU 924 CB ALA A 121 2620 2127 2122 -665 -777 1074 C +ATOM 925 N GLN A 122 26.151 -24.335 39.317 1.00 13.19 N +ANISOU 925 N GLN A 122 1890 1666 1455 -595 -395 481 N +ATOM 926 CA GLN A 122 27.294 -24.079 38.404 1.00 11.72 C +ANISOU 926 CA GLN A 122 1837 1422 1195 -47 -446 305 C +ATOM 927 C GLN A 122 26.785 -23.186 37.299 1.00 9.44 C +ANISOU 927 C GLN A 122 1194 1300 1093 -49 -244 166 C +ATOM 928 O GLN A 122 25.794 -23.560 36.631 1.00 10.30 O +ANISOU 928 O GLN A 122 1381 1409 1121 -224 -383 73 O +ATOM 929 CB GLN A 122 27.868 -25.411 37.891 1.00 13.86 C +ANISOU 929 CB GLN A 122 2326 1242 1699 -28 -731 202 C +ATOM 930 CG GLN A 122 28.358 -26.236 39.108 1.00 19.71 C +ANISOU 930 CG GLN A 122 3616 2005 1868 922 -771 315 C +ATOM 931 CD GLN A 122 29.098 -27.465 38.611 1.00 27.58 C +ANISOU 931 CD GLN A 122 5643 1522 3316 1212 -214 569 C +ATOM 932 OE1 GLN A 122 28.684 -27.977 37.583 1.00 43.20 O +ANISOU 932 OE1 GLN A 122 8296 3179 4941 2233 -1194 -1564 O +ATOM 933 NE2 GLN A 122 30.137 -27.869 39.313 1.00 38.05 N +ANISOU 933 NE2 GLN A 122 5989 2146 6321 2284 -1112 -21 N +ATOM 934 N THR A 123 27.432 -22.064 37.033 1.00 9.14 N +ANISOU 934 N THR A 123 1283 1106 1085 -81 -198 45 N +ATOM 935 CA THR A 123 26.841 -21.037 36.168 1.00 8.90 C +ANISOU 935 CA THR A 123 1171 1141 1069 -37 -201 -31 C +ATOM 936 C THR A 123 26.668 -21.512 34.730 1.00 8.18 C +ANISOU 936 C THR A 123 995 1011 1100 -124 -157 -43 C +ATOM 937 O THR A 123 25.579 -21.461 34.197 1.00 8.03 O +ANISOU 937 O THR A 123 1023 901 1125 54 -145 -140 O +ATOM 938 CB THR A 123 27.747 -19.797 36.242 1.00 9.47 C +ANISOU 938 CB THR A 123 1381 1044 1173 -81 -218 -23 C +ATOM 939 OG1 THR A 123 27.686 -19.272 37.567 1.00 11.09 O +ANISOU 939 OG1 THR A 123 1715 1506 992 -420 -249 -8 O +ATOM 940 CG2 THR A 123 27.270 -18.733 35.256 1.00 9.43 C +ANISOU 940 CG2 THR A 123 1286 1098 1198 -113 -295 36 C +ATOM 941 N VAL A 124 27.770 -21.911 34.093 1.00 8.52 N +ANISOU 941 N VAL A 124 1059 1031 1150 -14 -103 76 N +ATOM 942 CA VAL A 124 27.641 -22.297 32.684 1.00 8.14 C +ANISOU 942 CA VAL A 124 855 961 1275 -10 64 28 C +ATOM 943 C VAL A 124 26.930 -23.642 32.543 1.00 7.64 C +ANISOU 943 C VAL A 124 792 944 1164 25 44 30 C +ATOM 944 O VAL A 124 26.014 -23.695 31.658 1.00 8.07 O +ANISOU 944 O VAL A 124 865 982 1221 79 -48 62 O +ATOM 945 CB VAL A 124 29.020 -22.187 32.006 1.00 8.78 C +ANISOU 945 CB VAL A 124 742 981 1614 31 129 14 C +ATOM 946 CG1 VAL A 124 28.897 -22.743 30.607 1.00 11.28 C +ANISOU 946 CG1 VAL A 124 1510 1187 1590 -198 533 -137 C +ATOM 947 CG2 VAL A 124 29.487 -20.748 31.951 1.00 10.63 C +ANISOU 947 CG2 VAL A 124 853 1148 2038 -154 80 -147 C +ATOM 948 N PRO A 125 27.264 -24.681 33.304 1.00 8.09 N +ANISOU 948 N PRO A 125 902 905 1268 21 -131 -31 N +ATOM 949 CA PRO A 125 26.460 -25.898 33.160 1.00 7.87 C +ANISOU 949 CA PRO A 125 909 882 1199 31 28 73 C +ATOM 950 C PRO A 125 24.986 -25.650 33.392 1.00 7.66 C +ANISOU 950 C PRO A 125 971 730 1210 117 -123 -23 C +ATOM 951 O PRO A 125 24.136 -26.237 32.683 1.00 8.06 O +ANISOU 951 O PRO A 125 922 888 1250 106 -31 -108 O +ATOM 952 CB PRO A 125 27.095 -26.836 34.213 1.00 9.59 C +ANISOU 952 CB PRO A 125 1068 996 1581 116 -201 159 C +ATOM 953 CG PRO A 125 28.548 -26.379 34.280 1.00 9.50 C +ANISOU 953 CG PRO A 125 1124 956 1528 66 -210 45 C +ATOM 954 CD PRO A 125 28.423 -24.860 34.188 1.00 8.68 C +ANISOU 954 CD PRO A 125 940 913 1444 222 -208 -129 C +ATOM 955 N GLY A 126 24.619 -24.809 34.365 1.00 7.94 N +ANISOU 955 N GLY A 126 993 953 1069 142 -17 -42 N +ATOM 956 CA GLY A 126 23.209 -24.540 34.602 1.00 8.96 C +ANISOU 956 CA GLY A 126 1059 1263 1081 237 -90 0 C +ATOM 957 C GLY A 126 22.562 -23.816 33.429 1.00 6.65 C +ANISOU 957 C GLY A 126 716 831 982 141 76 -146 C +ATOM 958 O GLY A 126 21.419 -24.131 33.074 1.00 8.00 O +ANISOU 958 O GLY A 126 777 1103 1161 93 -15 -123 O +ATOM 959 N PHE A 127 23.272 -22.875 32.860 1.00 7.55 N +ANISOU 959 N PHE A 127 866 915 1089 10 -31 -7 N +ATOM 960 CA PHE A 127 22.773 -22.207 31.644 1.00 7.53 C +ANISOU 960 CA PHE A 127 832 861 1170 81 -16 -95 C +ATOM 961 C PHE A 127 22.576 -23.254 30.532 1.00 7.26 C +ANISOU 961 C PHE A 127 880 780 1096 43 -5 -70 C +ATOM 962 O PHE A 127 21.515 -23.257 29.861 1.00 7.39 O +ANISOU 962 O PHE A 127 704 786 1317 -87 3 -6 O +ATOM 963 CB PHE A 127 23.701 -21.103 31.216 1.00 7.63 C +ANISOU 963 CB PHE A 127 864 830 1207 -60 -92 -40 C +ATOM 964 CG PHE A 127 23.320 -20.494 29.884 1.00 6.87 C +ANISOU 964 CG PHE A 127 808 578 1222 -42 -58 -214 C +ATOM 965 CD1 PHE A 127 22.141 -19.819 29.717 1.00 7.51 C +ANISOU 965 CD1 PHE A 127 855 750 1251 -39 -44 -2 C +ATOM 966 CD2 PHE A 127 24.173 -20.645 28.780 1.00 8.12 C +ANISOU 966 CD2 PHE A 127 1068 736 1281 -101 113 -147 C +ATOM 967 CE1 PHE A 127 21.757 -19.278 28.484 1.00 8.28 C +ANISOU 967 CE1 PHE A 127 1090 825 1234 -218 -75 141 C +ATOM 968 CE2 PHE A 127 23.784 -20.125 27.559 1.00 8.57 C +ANISOU 968 CE2 PHE A 127 1010 1011 1236 -301 -15 -132 C +ATOM 969 CZ PHE A 127 22.605 -19.463 27.403 1.00 8.53 C +ANISOU 969 CZ PHE A 127 993 892 1355 -356 -54 34 C +ATOM 970 N GLU A 128 23.552 -24.117 30.311 1.00 7.20 N +ANISOU 970 N GLU A 128 840 871 1022 67 -45 -136 N +ATOM 971 CA GLU A 128 23.413 -25.131 29.275 1.00 7.39 C +ANISOU 971 CA GLU A 128 859 938 1010 -50 -21 -146 C +ATOM 972 C GLU A 128 22.234 -26.065 29.561 1.00 7.24 C +ANISOU 972 C GLU A 128 855 793 1103 33 -84 -45 C +ATOM 973 O GLU A 128 21.611 -26.597 28.632 1.00 9.46 O +ANISOU 973 O GLU A 128 939 1426 1231 -212 -83 -215 O +ATOM 974 CB GLU A 128 24.728 -25.918 29.180 1.00 8.02 C +ANISOU 974 CB GLU A 128 936 954 1156 30 35 -162 C +ATOM 975 CG GLU A 128 24.781 -26.788 27.942 1.00 9.10 C +ANISOU 975 CG GLU A 128 1102 1064 1291 156 -43 -225 C +ATOM 976 CD GLU A 128 25.937 -27.756 27.959 1.00 8.14 C +ANISOU 976 CD GLU A 128 910 860 1322 -71 37 -135 C +ATOM 977 OE1 GLU A 128 27.091 -27.330 28.174 1.00 8.85 O +ANISOU 977 OE1 GLU A 128 935 838 1588 -19 38 -349 O +ATOM 978 OE2 GLU A 128 25.692 -28.951 27.760 1.00 8.68 O +ANISOU 978 OE2 GLU A 128 951 883 1463 -48 -118 -110 O +ATOM 979 N SER A 129 21.913 -26.253 30.844 1.00 7.84 N +ANISOU 979 N SER A 129 984 810 1185 -25 84 -87 N +ATOM 980 CA ASER A 129 20.780 -27.148 31.161 0.66 7.66 C +ANISOU 980 CA ASER A 129 1056 879 977 -28 59 -202 C +ATOM 981 CA BSER A 129 20.799 -27.051 31.325 0.34 10.37 C +ANISOU 981 CA BSER A 129 855 1180 1906 114 321 212 C +ATOM 982 C ASER A 129 19.459 -26.480 30.843 0.66 8.65 C +ANISOU 982 C ASER A 129 943 981 1364 -18 101 -122 C +ATOM 983 C BSER A 129 19.467 -26.481 30.867 0.34 8.13 C +ANISOU 983 C BSER A 129 947 1063 1078 42 -14 -206 C +ATOM 984 O ASER A 129 18.530 -27.108 30.329 0.66 9.95 O +ANISOU 984 O ASER A 129 997 1306 1476 146 -40 -589 O +ATOM 985 O BSER A 129 18.625 -27.170 30.292 0.34 12.02 O +ANISOU 985 O BSER A 129 764 1585 2218 -454 403 -674 O +ATOM 986 CB ASER A 129 20.855 -27.555 32.634 0.66 8.32 C +ANISOU 986 CB ASER A 129 1282 886 993 -129 36 -154 C +ATOM 987 CB BSER A 129 20.830 -27.133 32.871 0.34 10.84 C +ANISOU 987 CB BSER A 129 807 1269 2044 -246 -213 1167 C +ATOM 988 OG ASER A 129 19.742 -28.310 33.036 0.66 10.42 O +ANISOU 988 OG ASER A 129 1091 1416 1451 51 372 66 O +ATOM 989 OG BSER A 129 21.828 -28.088 33.193 0.34 13.12 O +ANISOU 989 OG BSER A 129 968 1309 2709 121 263 909 O +ATOM 990 N VAL A 130 19.284 -25.194 31.150 1.00 7.99 N +ANISOU 990 N VAL A 130 760 1030 1244 29 82 -48 N +ATOM 991 CA VAL A 130 17.943 -24.586 30.999 1.00 8.46 C +ANISOU 991 CA VAL A 130 741 1334 1139 165 131 -67 C +ATOM 992 C VAL A 130 17.754 -23.879 29.689 1.00 8.10 C +ANISOU 992 C VAL A 130 826 1101 1149 134 109 -153 C +ATOM 993 O VAL A 130 16.580 -23.565 29.363 1.00 8.38 O +ANISOU 993 O VAL A 130 843 1191 1150 16 -31 -150 O +ATOM 994 CB VAL A 130 17.696 -23.542 32.130 1.00 10.61 C +ANISOU 994 CB VAL A 130 1196 1695 1139 298 303 -126 C +ATOM 995 CG1 VAL A 130 17.836 -24.142 33.524 1.00 12.32 C +ANISOU 995 CG1 VAL A 130 1430 2077 1173 397 54 -73 C +ATOM 996 CG2 VAL A 130 18.579 -22.307 31.973 1.00 10.70 C +ANISOU 996 CG2 VAL A 130 1257 1393 1414 381 -307 -256 C +ATOM 997 N ARG A 131 18.810 -23.551 28.941 1.00 7.60 N +ANISOU 997 N ARG A 131 906 766 1217 -77 26 9 N +ATOM 998 CA ARG A 131 18.634 -22.531 27.872 1.00 7.62 C +ANISOU 998 CA ARG A 131 790 716 1389 103 20 -16 C +ATOM 999 C ARG A 131 17.663 -22.948 26.813 1.00 7.42 C +ANISOU 999 C ARG A 131 682 781 1357 23 70 -19 C +ATOM 1000 O ARG A 131 17.051 -22.067 26.190 1.00 8.74 O +ANISOU 1000 O ARG A 131 963 698 1659 21 -101 33 O +ATOM 1001 CB ARG A 131 19.997 -22.194 27.249 1.00 7.94 C +ANISOU 1001 CB ARG A 131 779 953 1285 19 61 -62 C +ATOM 1002 CG ARG A 131 20.666 -23.388 26.582 1.00 7.49 C +ANISOU 1002 CG ARG A 131 766 994 1085 -37 11 -179 C +ATOM 1003 CD ARG A 131 22.005 -23.054 25.953 1.00 6.92 C +ANISOU 1003 CD ARG A 131 785 897 949 -18 -40 34 C +ATOM 1004 NE ARG A 131 21.792 -22.077 24.894 1.00 6.95 N +ANISOU 1004 NE ARG A 131 799 729 1114 0 3 -59 N +ATOM 1005 CZ ARG A 131 22.782 -21.473 24.232 1.00 6.95 C +ANISOU 1005 CZ ARG A 131 793 744 1103 83 53 -29 C +ATOM 1006 NH1 ARG A 131 24.047 -21.812 24.460 1.00 7.83 N +ANISOU 1006 NH1 ARG A 131 779 850 1347 103 -31 -143 N +ATOM 1007 NH2 ARG A 131 22.502 -20.538 23.313 1.00 7.61 N +ANISOU 1007 NH2 ARG A 131 1019 638 1234 38 62 10 N +ATOM 1008 N ASN A 132 17.536 -24.219 26.533 1.00 7.29 N +ANISOU 1008 N ASN A 132 875 806 1087 114 -101 -25 N +ATOM 1009 CA ASN A 132 16.662 -24.743 25.478 1.00 8.22 C +ANISOU 1009 CA ASN A 132 901 1014 1208 17 -95 -111 C +ATOM 1010 C ASN A 132 15.511 -25.544 26.030 1.00 8.78 C +ANISOU 1010 C ASN A 132 1091 868 1378 -33 -112 -98 C +ATOM 1011 O ASN A 132 14.895 -26.306 25.253 1.00 12.01 O +ANISOU 1011 O ASN A 132 1395 1445 1723 -353 -105 -457 O +ATOM 1012 CB ASN A 132 17.493 -25.549 24.465 1.00 8.47 C +ANISOU 1012 CB ASN A 132 1113 948 1157 185 -224 -100 C +ATOM 1013 CG ASN A 132 18.278 -26.695 25.112 1.00 9.07 C +ANISOU 1013 CG ASN A 132 1583 771 1093 206 -273 -148 C +ATOM 1014 OD1 ASN A 132 18.465 -26.738 26.309 1.00 11.00 O +ANISOU 1014 OD1 ASN A 132 2039 930 1211 534 -410 -281 O +ATOM 1015 ND2 ASN A 132 18.724 -27.639 24.297 1.00 9.82 N +ANISOU 1015 ND2 ASN A 132 1323 981 1428 201 -162 -369 N +ATOM 1016 N LYS A 133 15.205 -25.374 27.318 1.00 8.56 N +ANISOU 1016 N LYS A 133 802 944 1504 -70 27 -172 N +ATOM 1017 CA LYS A 133 14.066 -26.031 27.934 1.00 9.47 C +ANISOU 1017 CA LYS A 133 1055 966 1579 -53 143 -60 C +ATOM 1018 C LYS A 133 12.850 -25.124 27.905 1.00 7.99 C +ANISOU 1018 C LYS A 133 1013 816 1209 -169 154 -58 C +ATOM 1019 O LYS A 133 12.994 -23.923 28.078 1.00 9.61 O +ANISOU 1019 O LYS A 133 1012 735 1903 -153 136 -47 O +ATOM 1020 CB LYS A 133 14.364 -26.456 29.379 1.00 10.35 C +ANISOU 1020 CB LYS A 133 1092 1127 1713 -46 -74 83 C +ATOM 1021 CG LYS A 133 15.263 -27.674 29.492 1.00 13.36 C +ANISOU 1021 CG LYS A 133 1642 1410 2022 325 198 248 C +ATOM 1022 CD LYS A 133 15.383 -28.085 30.956 1.00 14.98 C +ANISOU 1022 CD LYS A 133 1824 1674 2194 363 87 509 C +ATOM 1023 CE LYS A 133 16.223 -29.333 31.111 1.00 15.42 C +ANISOU 1023 CE LYS A 133 1546 2021 2290 676 452 602 C +ATOM 1024 NZ LYS A 133 16.274 -29.860 32.492 1.00 23.61 N +ANISOU 1024 NZ LYS A 133 2579 3294 3099 1025 1452 2100 N +ATOM 1025 N VAL A 134 11.675 -25.738 27.813 1.00 8.81 N +ANISOU 1025 N VAL A 134 1028 781 1540 -98 0 7 N +ATOM 1026 CA VAL A 134 10.404 -25.072 27.973 1.00 9.13 C +ANISOU 1026 CA VAL A 134 974 1065 1428 -150 38 -41 C +ATOM 1027 C VAL A 134 9.742 -25.639 29.234 1.00 9.41 C +ANISOU 1027 C VAL A 134 1217 926 1431 -191 44 63 C +ATOM 1028 O VAL A 134 9.545 -26.863 29.284 1.00 12.60 O +ANISOU 1028 O VAL A 134 1929 839 2019 -294 598 -206 O +ATOM 1029 CB VAL A 134 9.515 -25.197 26.725 1.00 11.12 C +ANISOU 1029 CB VAL A 134 1120 1575 1528 -139 -112 62 C +ATOM 1030 CG1 VAL A 134 8.174 -24.539 26.984 1.00 14.49 C +ANISOU 1030 CG1 VAL A 134 1012 2098 2394 -29 -181 -2 C +ATOM 1031 CG2 VAL A 134 10.226 -24.589 25.519 1.00 12.64 C +ANISOU 1031 CG2 VAL A 134 1691 1536 1577 -26 18 316 C +ATOM 1032 N PHE A 135 9.433 -24.782 30.184 1.00 8.38 N +ANISOU 1032 N PHE A 135 1013 857 1314 -157 -84 14 N +ATOM 1033 CA PHE A 135 8.765 -25.125 31.417 1.00 9.00 C +ANISOU 1033 CA PHE A 135 1020 1144 1257 -65 -60 76 C +ATOM 1034 C PHE A 135 7.340 -24.597 31.438 1.00 8.93 C +ANISOU 1034 C PHE A 135 1027 893 1473 -233 -45 -85 C +ATOM 1035 O PHE A 135 7.135 -23.490 30.913 1.00 9.49 O +ANISOU 1035 O PHE A 135 909 935 1763 -133 109 55 O +ATOM 1036 CB PHE A 135 9.480 -24.529 32.623 1.00 9.79 C +ANISOU 1036 CB PHE A 135 1111 1260 1348 -50 -130 9 C +ATOM 1037 CG PHE A 135 10.879 -25.049 32.869 1.00 8.73 C +ANISOU 1037 CG PHE A 135 1251 950 1116 -80 -110 61 C +ATOM 1038 CD1 PHE A 135 11.100 -26.234 33.550 1.00 12.35 C +ANISOU 1038 CD1 PHE A 135 1739 1366 1588 123 -171 450 C +ATOM 1039 CD2 PHE A 135 11.990 -24.336 32.408 1.00 10.22 C +ANISOU 1039 CD2 PHE A 135 1132 1199 1551 -120 61 -184 C +ATOM 1040 CE1 PHE A 135 12.355 -26.731 33.784 1.00 14.01 C +ANISOU 1040 CE1 PHE A 135 1822 1634 1867 420 162 650 C +ATOM 1041 CE2 PHE A 135 13.289 -24.838 32.635 1.00 11.73 C +ANISOU 1041 CE2 PHE A 135 1233 1496 1728 -29 -34 57 C +ATOM 1042 CZ PHE A 135 13.452 -26.018 33.334 1.00 12.72 C +ANISOU 1042 CZ PHE A 135 1745 1396 1691 25 -242 -52 C +ATOM 1043 N SER A 136 6.403 -25.295 32.041 1.00 9.99 N +ANISOU 1043 N SER A 136 1025 1195 1576 -340 -60 129 N +ATOM 1044 CA SER A 136 5.163 -24.658 32.406 1.00 10.08 C +ANISOU 1044 CA SER A 136 974 1095 1760 -306 -122 101 C +ATOM 1045 C SER A 136 5.391 -23.842 33.677 1.00 9.10 C +ANISOU 1045 C SER A 136 820 1127 1512 -297 31 295 C +ATOM 1046 O SER A 136 6.315 -24.028 34.458 1.00 9.68 O +ANISOU 1046 O SER A 136 955 1134 1587 -216 -66 229 O +ATOM 1047 CB SER A 136 4.011 -25.612 32.665 1.00 10.98 C +ANISOU 1047 CB SER A 136 1219 1663 1289 -598 -24 132 C +ATOM 1048 OG SER A 136 4.364 -26.444 33.747 1.00 11.41 O +ANISOU 1048 OG SER A 136 1467 1528 1339 -533 -147 111 O +ATOM 1049 N TYR A 137 4.449 -22.901 33.919 1.00 10.05 N +ANISOU 1049 N TYR A 137 1146 1140 1533 -130 -129 221 N +ATOM 1050 CA TYR A 137 4.480 -22.249 35.250 1.00 9.67 C +ANISOU 1050 CA TYR A 137 1191 1021 1462 56 15 402 C +ATOM 1051 C TYR A 137 4.448 -23.270 36.379 1.00 9.59 C +ANISOU 1051 C TYR A 137 1139 1050 1454 -92 -50 382 C +ATOM 1052 O TYR A 137 5.212 -23.182 37.342 1.00 9.94 O +ANISOU 1052 O TYR A 137 1276 1136 1363 -39 -17 248 O +ATOM 1053 CB ATYR A 137 3.327 -21.294 35.396 0.57 10.67 C +ANISOU 1053 CB ATYR A 137 1093 1147 1816 55 198 452 C +ATOM 1054 CB BTYR A 137 3.263 -21.297 35.355 0.43 10.38 C +ANISOU 1054 CB BTYR A 137 1081 992 1869 -41 291 529 C +ATOM 1055 CG ATYR A 137 3.305 -20.065 34.543 0.57 9.50 C +ANISOU 1055 CG ATYR A 137 882 965 1765 -14 22 236 C +ATOM 1056 CG BTYR A 137 3.514 -20.017 34.580 0.43 9.75 C +ANISOU 1056 CG BTYR A 137 823 1063 1817 -140 -188 569 C +ATOM 1057 CD1ATYR A 137 4.197 -19.020 34.579 0.57 11.60 C +ANISOU 1057 CD1ATYR A 137 1190 1423 1794 -362 -315 578 C +ATOM 1058 CD1BTYR A 137 2.976 -19.722 33.331 0.43 10.64 C +ANISOU 1058 CD1BTYR A 137 761 1265 2017 -99 -373 609 C +ATOM 1059 CD2ATYR A 137 2.266 -19.971 33.621 0.57 11.34 C +ANISOU 1059 CD2ATYR A 137 830 1295 2183 -159 -167 535 C +ATOM 1060 CD2BTYR A 137 4.344 -19.080 35.186 0.43 12.31 C +ANISOU 1060 CD2BTYR A 137 1771 949 1956 -254 -567 522 C +ATOM 1061 CE1ATYR A 137 4.106 -17.908 33.758 0.57 9.95 C +ANISOU 1061 CE1ATYR A 137 944 1027 1810 -37 32 324 C +ATOM 1062 CE1BTYR A 137 3.272 -18.503 32.698 0.43 10.14 C +ANISOU 1062 CE1BTYR A 137 848 1406 1599 -188 -337 552 C +ATOM 1063 CE2ATYR A 137 2.140 -18.875 32.793 0.57 11.86 C +ANISOU 1063 CE2ATYR A 137 859 1643 2003 -259 36 721 C +ATOM 1064 CE2BTYR A 137 4.637 -17.883 34.564 0.43 9.54 C +ANISOU 1064 CE2BTYR A 137 1044 1152 1428 -243 -210 447 C +ATOM 1065 CZ ATYR A 137 3.059 -17.843 32.850 0.57 9.55 C +ANISOU 1065 CZ ATYR A 137 815 1158 1656 39 144 368 C +ATOM 1066 CZ BTYR A 137 4.098 -17.604 33.329 0.43 7.62 C +ANISOU 1066 CZ BTYR A 137 805 949 1141 185 115 115 C +ATOM 1067 OH ATYR A 137 2.999 -16.723 32.053 0.57 10.08 O +ANISOU 1067 OH ATYR A 137 922 1291 1617 -131 112 372 O +ATOM 1068 OH BTYR A 137 4.441 -16.401 32.768 0.43 9.58 O +ANISOU 1068 OH BTYR A 137 1372 986 1281 118 -57 293 O +ATOM 1069 N GLN A 138 3.515 -24.229 36.257 1.00 10.12 N +ANISOU 1069 N GLN A 138 1157 1056 1633 -80 82 389 N +ATOM 1070 CA GLN A 138 3.384 -25.225 37.320 1.00 9.76 C +ANISOU 1070 CA GLN A 138 1086 1063 1561 -127 -35 341 C +ATOM 1071 C GLN A 138 4.693 -25.995 37.516 1.00 9.33 C +ANISOU 1071 C GLN A 138 1047 911 1586 -205 68 333 C +ATOM 1072 O GLN A 138 5.041 -26.340 38.648 1.00 10.00 O +ANISOU 1072 O GLN A 138 1120 1101 1580 -214 -118 204 O +ATOM 1073 CB GLN A 138 2.237 -26.190 36.962 1.00 12.19 C +ANISOU 1073 CB GLN A 138 1266 1398 1970 -419 -240 438 C +ATOM 1074 CG GLN A 138 2.021 -27.293 38.018 1.00 12.38 C +ANISOU 1074 CG GLN A 138 1491 1207 2008 -352 113 299 C +ATOM 1075 CD GLN A 138 1.569 -26.752 39.343 1.00 12.31 C +ANISOU 1075 CD GLN A 138 1115 1479 2082 -342 159 298 C +ATOM 1076 OE1 GLN A 138 0.456 -26.242 39.396 1.00 15.13 O +ANISOU 1076 OE1 GLN A 138 1416 2232 2102 109 294 691 O +ATOM 1077 NE2 GLN A 138 2.373 -26.861 40.416 1.00 12.10 N +ANISOU 1077 NE2 GLN A 138 1334 1254 2011 -300 84 174 N +ATOM 1078 N ASP A 139 5.440 -26.284 36.423 1.00 9.66 N +ANISOU 1078 N ASP A 139 1096 952 1621 -261 93 231 N +ATOM 1079 CA ASP A 139 6.696 -26.994 36.630 1.00 9.51 C +ANISOU 1079 CA ASP A 139 1121 934 1561 -163 95 73 C +ATOM 1080 C ASP A 139 7.606 -26.283 37.569 1.00 8.81 C +ANISOU 1080 C ASP A 139 1082 799 1467 -66 148 200 C +ATOM 1081 O ASP A 139 8.292 -26.887 38.410 1.00 9.83 O +ANISOU 1081 O ASP A 139 1317 980 1436 -81 58 262 O +ATOM 1082 CB ASP A 139 7.435 -27.138 35.286 1.00 10.02 C +ANISOU 1082 CB ASP A 139 1192 1137 1479 -207 12 109 C +ATOM 1083 CG ASP A 139 6.832 -28.103 34.284 1.00 10.93 C +ANISOU 1083 CG ASP A 139 1637 830 1687 -171 -31 2 C +ATOM 1084 OD1 ASP A 139 6.135 -29.059 34.673 1.00 12.63 O +ANISOU 1084 OD1 ASP A 139 2063 1161 1575 -449 -88 154 O +ATOM 1085 OD2 ASP A 139 7.129 -27.907 33.073 1.00 11.74 O +ANISOU 1085 OD2 ASP A 139 1681 1126 1654 -324 6 17 O +ATOM 1086 N LEU A 140 7.676 -24.955 37.373 1.00 8.55 N +ANISOU 1086 N LEU A 140 1147 788 1313 -116 159 62 N +ATOM 1087 CA LEU A 140 8.606 -24.146 38.209 1.00 8.64 C +ANISOU 1087 CA LEU A 140 1198 909 1174 -138 95 81 C +ATOM 1088 C LEU A 140 8.118 -24.085 39.642 1.00 8.21 C +ANISOU 1088 C LEU A 140 1110 818 1191 -45 129 176 C +ATOM 1089 O LEU A 140 8.901 -24.145 40.594 1.00 8.92 O +ANISOU 1089 O LEU A 140 1110 994 1288 -52 41 126 O +ATOM 1090 CB LEU A 140 8.760 -22.743 37.621 1.00 8.34 C +ANISOU 1090 CB LEU A 140 1280 856 1035 -125 89 50 C +ATOM 1091 CG LEU A 140 9.269 -22.715 36.165 1.00 9.02 C +ANISOU 1091 CG LEU A 140 1359 909 1160 -126 177 -12 C +ATOM 1092 CD1 LEU A 140 9.247 -21.307 35.617 1.00 9.86 C +ANISOU 1092 CD1 LEU A 140 1463 1016 1266 -345 -9 240 C +ATOM 1093 CD2 LEU A 140 10.687 -23.303 36.104 1.00 10.34 C +ANISOU 1093 CD2 LEU A 140 1300 1328 1299 -89 224 207 C +ATOM 1094 N ILE A 141 6.787 -23.939 39.839 1.00 9.00 N +ANISOU 1094 N ILE A 141 1085 961 1373 47 154 100 N +ATOM 1095 CA ILE A 141 6.248 -23.953 41.199 1.00 9.00 C +ANISOU 1095 CA ILE A 141 1032 996 1389 41 197 155 C +ATOM 1096 C ILE A 141 6.575 -25.280 41.885 1.00 9.10 C +ANISOU 1096 C ILE A 141 803 1059 1596 -128 22 292 C +ATOM 1097 O ILE A 141 6.981 -25.293 43.035 1.00 9.96 O +ANISOU 1097 O ILE A 141 1051 1088 1644 20 -74 330 O +ATOM 1098 CB AILE A 141 4.739 -23.705 41.165 0.98 10.73 C +ANISOU 1098 CB AILE A 141 1037 1586 1452 180 96 261 C +ATOM 1099 CB BILE A 141 4.731 -23.720 41.238 0.02 11.06 C +ANISOU 1099 CB BILE A 141 1124 1581 1497 393 166 67 C +ATOM 1100 CG1AILE A 141 4.325 -22.369 40.546 0.98 13.89 C +ANISOU 1100 CG1AILE A 141 1624 1586 2067 539 -8 155 C +ATOM 1101 CG1BILE A 141 4.331 -22.300 41.645 0.02 12.00 C +ANISOU 1101 CG1BILE A 141 1306 1602 1651 507 -83 56 C +ATOM 1102 CG2AILE A 141 4.156 -23.869 42.572 0.98 14.10 C +ANISOU 1102 CG2AILE A 141 1192 2626 1540 659 308 209 C +ATOM 1103 CG2BILE A 141 4.052 -24.745 42.139 0.02 7.03 C +ANISOU 1103 CG2BILE A 141 1452 1121 99 456 1359 -1507 C +ATOM 1104 CD1AILE A 141 5.049 -21.246 41.239 0.98 16.62 C +ANISOU 1104 CD1AILE A 141 2156 1508 2649 -131 -750 992 C +ATOM 1105 CD1BILE A 141 3.254 -21.692 40.771 0.02 9.18 C +ANISOU 1105 CD1BILE A 141 2468 591 429 641 -1532 -2637 C +ATOM 1106 N THR A 142 6.343 -26.366 41.175 1.00 9.69 N +ANISOU 1106 N THR A 142 1142 913 1627 -168 62 348 N +ATOM 1107 CA THR A 142 6.643 -27.708 41.766 1.00 10.18 C +ANISOU 1107 CA THR A 142 1275 1026 1566 114 111 247 C +ATOM 1108 C THR A 142 8.094 -27.798 42.151 1.00 10.28 C +ANISOU 1108 C THR A 142 1255 872 1779 -48 26 312 C +ATOM 1109 O THR A 142 8.441 -28.350 43.226 1.00 11.25 O +ANISOU 1109 O THR A 142 1532 933 1809 -23 -4 389 O +ATOM 1110 CB THR A 142 6.224 -28.765 40.777 1.00 11.54 C +ANISOU 1110 CB THR A 142 1400 902 2081 -99 -237 367 C +ATOM 1111 OG1 THR A 142 4.805 -28.726 40.672 1.00 12.52 O +ANISOU 1111 OG1 THR A 142 1391 1320 2047 -227 -78 557 O +ATOM 1112 CG2 THR A 142 6.631 -30.159 41.298 1.00 14.24 C +ANISOU 1112 CG2 THR A 142 1929 853 2629 -82 -251 449 C +ATOM 1113 N LEU A 143 9.028 -27.293 41.328 1.00 9.97 N +ANISOU 1113 N LEU A 143 1254 898 1637 -70 41 185 N +ATOM 1114 CA LEU A 143 10.444 -27.288 41.689 1.00 9.96 C +ANISOU 1114 CA LEU A 143 1219 1096 1470 107 112 64 C +ATOM 1115 C LEU A 143 10.673 -26.523 42.983 1.00 9.24 C +ANISOU 1115 C LEU A 143 1011 1008 1492 186 50 144 C +ATOM 1116 O LEU A 143 11.431 -26.976 43.862 1.00 11.13 O +ANISOU 1116 O LEU A 143 1298 1378 1553 308 -61 250 O +ATOM 1117 CB LEU A 143 11.303 -26.668 40.556 1.00 10.25 C +ANISOU 1117 CB LEU A 143 1118 1289 1487 88 32 123 C +ATOM 1118 CG LEU A 143 11.434 -27.490 39.260 1.00 12.45 C +ANISOU 1118 CG LEU A 143 1701 1627 1403 82 149 168 C +ATOM 1119 CD1 LEU A 143 12.129 -26.680 38.171 1.00 17.15 C +ANISOU 1119 CD1 LEU A 143 2410 2378 1727 360 670 509 C +ATOM 1120 CD2 LEU A 143 12.184 -28.782 39.538 1.00 18.80 C +ANISOU 1120 CD2 LEU A 143 2677 1264 3204 399 1141 133 C +ATOM 1121 N SER A 144 10.079 -25.379 43.143 1.00 8.74 N +ANISOU 1121 N SER A 144 1101 951 1267 73 116 176 N +ATOM 1122 CA SER A 144 10.205 -24.622 44.386 1.00 9.69 C +ANISOU 1122 CA SER A 144 1412 977 1294 119 180 232 C +ATOM 1123 C SER A 144 9.697 -25.441 45.561 1.00 8.53 C +ANISOU 1123 C SER A 144 1044 918 1278 89 136 184 C +ATOM 1124 O SER A 144 10.330 -25.484 46.649 1.00 9.17 O +ANISOU 1124 O SER A 144 1263 861 1359 -81 -17 145 O +ATOM 1125 CB SER A 144 9.365 -23.353 44.311 1.00 8.91 C +ANISOU 1125 CB SER A 144 1267 845 1273 51 -115 64 C +ATOM 1126 OG SER A 144 9.259 -22.696 45.577 1.00 9.60 O +ANISOU 1126 OG SER A 144 1256 1089 1304 196 117 123 O +ATOM 1127 N LEU A 145 8.520 -26.038 45.394 1.00 9.45 N +ANISOU 1127 N LEU A 145 927 1345 1320 63 179 272 N +ATOM 1128 CA LEU A 145 7.804 -26.665 46.533 1.00 11.40 C +ANISOU 1128 CA LEU A 145 873 1685 1775 -23 142 646 C +ATOM 1129 C LEU A 145 8.460 -27.935 46.975 1.00 12.12 C +ANISOU 1129 C LEU A 145 1220 1596 1790 -166 28 730 C +ATOM 1130 O LEU A 145 8.135 -28.427 48.066 1.00 15.19 O +ANISOU 1130 O LEU A 145 1301 2558 1914 -384 -1 1139 O +ATOM 1131 CB LEU A 145 6.343 -26.873 46.107 1.00 12.91 C +ANISOU 1131 CB LEU A 145 944 1927 2035 -209 70 727 C +ATOM 1132 CG LEU A 145 5.564 -25.552 45.962 1.00 13.80 C +ANISOU 1132 CG LEU A 145 1200 2589 1454 378 -10 758 C +ATOM 1133 CD1 LEU A 145 4.109 -25.841 45.598 1.00 14.62 C +ANISOU 1133 CD1 LEU A 145 1177 2506 1874 346 134 417 C +ATOM 1134 CD2 LEU A 145 5.653 -24.638 47.180 1.00 16.51 C +ANISOU 1134 CD2 LEU A 145 1926 2121 2225 -87 65 430 C +ATOM 1135 N LYS A 146 9.411 -28.477 46.206 1.00 10.20 N +ANISOU 1135 N LYS A 146 1265 964 1647 -307 -197 314 N +ATOM 1136 CA LYS A 146 10.237 -29.579 46.695 1.00 12.43 C +ANISOU 1136 CA LYS A 146 2053 934 1735 -29 -507 210 C +ATOM 1137 C LYS A 146 10.984 -29.192 47.967 1.00 10.50 C +ANISOU 1137 C LYS A 146 1470 966 1554 94 -135 149 C +ATOM 1138 O LYS A 146 11.377 -30.055 48.745 1.00 15.12 O +ANISOU 1138 O LYS A 146 2915 893 1938 103 -905 180 O +ATOM 1139 CB LYS A 146 11.249 -30.025 45.637 1.00 15.98 C +ANISOU 1139 CB LYS A 146 3171 1223 1677 888 -530 -148 C +ATOM 1140 CG LYS A 146 10.671 -30.685 44.413 1.00 20.45 C +ANISOU 1140 CG LYS A 146 3576 2653 1540 390 -657 -41 C +ATOM 1141 CD LYS A 146 11.669 -30.621 43.261 1.00 33.81 C +ANISOU 1141 CD LYS A 146 4579 5882 2387 1263 436 -1507 C +ATOM 1142 CE LYS A 146 13.004 -31.217 43.659 1.00 39.97 C +ANISOU 1142 CE LYS A 146 4564 7426 3196 1517 505 -940 C +ATOM 1143 NZ LYS A 146 13.893 -31.336 42.462 1.00 36.30 N +ANISOU 1143 NZ LYS A 146 3596 7365 2832 1320 421 1721 N +ATOM 1144 N HIS A 147 11.204 -27.890 48.208 1.00 8.80 N +ANISOU 1144 N HIS A 147 956 968 1420 -41 68 136 N +ATOM 1145 CA HIS A 147 11.890 -27.398 49.360 1.00 9.56 C +ANISOU 1145 CA HIS A 147 1273 993 1365 19 -41 215 C +ATOM 1146 C AHIS A 147 10.778 -26.830 50.268 0.49 9.88 C +ANISOU 1146 C AHIS A 147 1463 1228 1063 -11 -1 350 C +ATOM 1147 C BHIS A 147 11.094 -26.935 50.546 0.51 9.37 C +ANISOU 1147 C BHIS A 147 1372 896 1292 130 -27 220 C +ATOM 1148 O AHIS A 147 9.753 -26.291 49.781 0.49 11.38 O +ANISOU 1148 O AHIS A 147 1084 2064 1177 61 163 123 O +ATOM 1149 O BHIS A 147 11.717 -26.492 51.506 0.51 11.08 O +ANISOU 1149 O BHIS A 147 1568 1085 1556 -345 21 9 O +ATOM 1150 CB HIS A 147 12.776 -26.226 48.938 1.00 9.37 C +ANISOU 1150 CB HIS A 147 1046 915 1599 13 -62 83 C +ATOM 1151 CG HIS A 147 13.898 -26.610 48.029 1.00 10.16 C +ANISOU 1151 CG HIS A 147 1035 1012 1812 144 -95 129 C +ATOM 1152 ND1 HIS A 147 15.221 -26.661 48.442 1.00 12.90 N +ANISOU 1152 ND1 HIS A 147 1022 1414 2465 57 -34 335 N +ATOM 1153 CD2 HIS A 147 13.884 -26.998 46.721 1.00 11.49 C +ANISOU 1153 CD2 HIS A 147 1342 1111 1913 -171 306 23 C +ATOM 1154 CE1 HIS A 147 15.964 -27.059 47.431 1.00 15.14 C +ANISOU 1154 CE1 HIS A 147 1181 1536 3035 -2 281 56 C +ATOM 1155 NE2 HIS A 147 15.191 -27.232 46.383 1.00 14.37 N +ANISOU 1155 NE2 HIS A 147 1463 1462 2536 -116 521 30 N +ATOM 1156 N AGLY A 148 10.917 -26.923 51.577 0.54 12.16 N +ANISOU 1156 N AGLY A 148 2520 1079 1022 0 -204 -15 N +ATOM 1157 N BGLY A 148 9.781 -27.008 50.510 0.46 9.93 N +ANISOU 1157 N BGLY A 148 1352 1463 958 378 -109 428 N +ATOM 1158 CA AGLY A 148 10.070 -26.219 52.532 0.54 13.55 C +ANISOU 1158 CA AGLY A 148 2791 1016 1342 -39 154 5 C +ATOM 1159 CA BGLY A 148 9.058 -26.254 51.529 0.46 9.76 C +ANISOU 1159 CA BGLY A 148 1303 1232 1174 60 148 419 C +ATOM 1160 C AGLY A 148 10.237 -24.737 52.260 0.54 10.61 C +ANISOU 1160 C AGLY A 148 1347 1114 1571 6 165 213 C +ATOM 1161 C BGLY A 148 9.328 -24.742 51.436 0.46 9.80 C +ANISOU 1161 C BGLY A 148 1359 1205 1160 93 -418 553 C +ATOM 1162 O AGLY A 148 11.208 -24.186 51.744 0.54 12.14 O +ANISOU 1162 O AGLY A 148 988 1321 2305 84 273 126 O +ATOM 1163 O BGLY A 148 9.666 -24.330 50.307 0.46 10.97 O +ANISOU 1163 O BGLY A 148 1802 1003 1363 142 44 328 O +ATOM 1164 N VAL A 149 9.181 -24.024 52.595 1.00 10.62 N +ANISOU 1164 N VAL A 149 1189 1260 1587 -17 330 311 N +ATOM 1165 CA VAL A 149 9.348 -22.554 52.620 1.00 10.57 C +ANISOU 1165 CA VAL A 149 1091 1194 1730 22 330 315 C +ATOM 1166 C VAL A 149 10.499 -22.194 53.554 1.00 11.35 C +ANISOU 1166 C VAL A 149 1213 1458 1640 -126 285 468 C +ATOM 1167 O VAL A 149 10.939 -22.972 54.390 1.00 15.62 O +ANISOU 1167 O VAL A 149 1610 2325 1998 -202 -32 1049 O +ATOM 1168 CB VAL A 149 8.101 -21.809 53.120 1.00 10.76 C +ANISOU 1168 CB VAL A 149 1181 1208 1699 53 511 508 C +ATOM 1169 CG1 VAL A 149 6.961 -22.028 52.114 1.00 12.40 C +ANISOU 1169 CG1 VAL A 149 1293 1688 1730 320 362 522 C +ATOM 1170 CG2 VAL A 149 7.638 -22.271 54.515 1.00 14.54 C +ANISOU 1170 CG2 VAL A 149 1736 2136 1652 507 597 879 C +ATOM 1171 N THR A 150 11.046 -20.997 53.330 1.00 10.57 N +ANISOU 1171 N THR A 150 1140 1350 1526 -69 407 76 N +ATOM 1172 CA THR A 150 12.225 -20.601 54.109 1.00 12.30 C +ANISOU 1172 CA THR A 150 1443 1901 1330 -378 196 214 C +ATOM 1173 C THR A 150 11.861 -19.801 55.357 1.00 14.62 C +ANISOU 1173 C THR A 150 2092 2238 1225 -613 385 175 C +ATOM 1174 O THR A 150 12.787 -19.631 56.163 1.00 19.29 O +ANISOU 1174 O THR A 150 2728 3232 1368 -704 17 -62 O +ATOM 1175 CB THR A 150 13.180 -19.786 53.242 1.00 12.99 C +ANISOU 1175 CB THR A 150 1864 1733 1339 -615 341 114 C +ATOM 1176 OG1 THR A 150 12.457 -18.642 52.712 1.00 13.13 O +ANISOU 1176 OG1 THR A 150 1908 1766 1313 -627 479 160 O +ATOM 1177 CG2 THR A 150 13.654 -20.540 51.996 1.00 20.04 C +ANISOU 1177 CG2 THR A 150 3067 2752 1794 192 1013 -115 C +ATOM 1178 N ASN A 151 10.641 -19.332 55.463 1.00 13.98 N +ANISOU 1178 N ASN A 151 2434 1544 1332 -373 589 176 N +ATOM 1179 CA ASN A 151 10.140 -18.521 56.580 1.00 17.70 C +ANISOU 1179 CA ASN A 151 3653 1809 1263 33 735 208 C +ATOM 1180 C ASN A 151 8.608 -18.531 56.581 1.00 18.40 C +ANISOU 1180 C ASN A 151 3703 1763 1523 492 1176 137 C +ATOM 1181 O ASN A 151 8.033 -18.901 55.555 1.00 15.43 O +ANISOU 1181 O ASN A 151 2901 1362 1599 701 1134 343 O +ATOM 1182 CB ASN A 151 10.731 -17.110 56.474 1.00 21.11 C +ANISOU 1182 CB ASN A 151 4775 1924 1322 -374 662 -236 C +ATOM 1183 CG ASN A 151 10.612 -16.460 55.109 1.00 24.26 C +ANISOU 1183 CG ASN A 151 6492 1405 1321 -1346 558 -315 C +ATOM 1184 OD1 ASN A 151 11.515 -16.516 54.251 1.00 29.19 O +ANISOU 1184 OD1 ASN A 151 7307 2099 1685 -2011 1208 -304 O +ATOM 1185 ND2 ASN A 151 9.461 -15.814 54.935 1.00 28.18 N +ANISOU 1185 ND2 ASN A 151 8317 1292 1096 161 457 156 N +ATOM 1186 N ALA A 152 7.936 -18.132 57.646 1.00 22.23 N +ANISOU 1186 N ALA A 152 4622 2497 1328 1271 1399 613 N +ATOM 1187 CA ALA A 152 6.494 -17.993 57.749 1.00 24.02 C +ANISOU 1187 CA ALA A 152 4868 2609 1650 2083 1812 1154 C +ATOM 1188 C ALA A 152 5.886 -17.000 56.763 1.00 25.58 C +ANISOU 1188 C ALA A 152 5706 2462 1551 2304 1637 974 C +ATOM 1189 O ALA A 152 6.620 -16.083 56.441 1.00 26.32 O +ANISOU 1189 O ALA A 152 6442 2237 1324 2047 1754 699 O +ATOM 1190 CB ALA A 152 6.239 -17.557 59.203 1.00 30.31 C +ANISOU 1190 CB ALA A 152 6021 3894 1603 3834 1571 1168 C +ATOM 1191 N PRO A 153 4.645 -17.112 56.310 1.00 26.11 N +ANISOU 1191 N PRO A 153 5972 2295 1656 2461 1259 814 N +ATOM 1192 CA PRO A 153 4.116 -16.128 55.344 1.00 27.82 C +ANISOU 1192 CA PRO A 153 6658 2674 1237 2356 991 787 C +ATOM 1193 C PRO A 153 4.151 -14.701 55.897 1.00 27.13 C +ANISOU 1193 C PRO A 153 6109 2321 1877 2255 1870 1168 C +ATOM 1194 O PRO A 153 3.744 -14.424 57.006 1.00 40.61 O +ANISOU 1194 O PRO A 153 10354 1926 3151 2163 4234 825 O +ATOM 1195 CB PRO A 153 2.658 -16.548 55.133 1.00 31.41 C +ANISOU 1195 CB PRO A 153 6778 2671 2486 2378 379 1049 C +ATOM 1196 CG PRO A 153 2.674 -18.021 55.505 1.00 30.48 C +ANISOU 1196 CG PRO A 153 6444 2550 2587 2491 351 814 C +ATOM 1197 CD PRO A 153 3.631 -18.131 56.680 1.00 27.86 C +ANISOU 1197 CD PRO A 153 5513 2955 2119 2400 1067 1225 C +ATOM 1198 N GLY A 154 4.706 -13.854 55.068 1.00 23.15 N +ANISOU 1198 N GLY A 154 3343 3188 2264 1999 1092 1630 N +ATOM 1199 CA GLY A 154 4.724 -12.446 55.404 1.00 21.26 C +ANISOU 1199 CA GLY A 154 2257 3231 2589 1050 785 1571 C +ATOM 1200 C GLY A 154 5.853 -12.107 56.328 1.00 28.60 C +ANISOU 1200 C GLY A 154 4152 5363 1350 1315 -49 1522 C +ATOM 1201 O GLY A 154 6.087 -10.923 56.581 1.00 31.18 O +ANISOU 1201 O GLY A 154 2926 5682 3241 943 -1103 1138 O +ATOM 1202 N ALA A 155 6.574 -13.094 56.894 1.00 30.98 N +ANISOU 1202 N ALA A 155 4110 6107 1553 1930 205 1617 N +ATOM 1203 CA ALA A 155 7.483 -12.808 57.988 1.00 27.03 C +ANISOU 1203 CA ALA A 155 4093 4626 1551 2962 320 677 C +ATOM 1204 C ALA A 155 8.872 -12.242 57.724 1.00 29.79 C +ANISOU 1204 C ALA A 155 3932 5279 2106 2855 128 -119 C +ATOM 1205 O ALA A 155 9.493 -11.731 58.670 1.00 38.40 O +ANISOU 1205 O ALA A 155 4663 7637 2290 2500 -1053 424 O +ATOM 1206 CB ALA A 155 7.765 -14.149 58.678 1.00 27.67 C +ANISOU 1206 CB ALA A 155 5601 2494 2418 2340 -2407 -1408 C +ATOM 1207 N ALA A 156 9.452 -12.351 56.562 1.00 27.29 N +ANISOU 1207 N ALA A 156 4003 4266 2102 2734 426 1148 N +ATOM 1208 CA ALA A 156 10.840 -12.029 56.207 1.00 22.57 C +ANISOU 1208 CA ALA A 156 3909 3316 1351 1834 -422 211 C +ATOM 1209 C ALA A 156 10.958 -11.673 54.724 1.00 19.19 C +ANISOU 1209 C ALA A 156 2889 3043 1360 1398 -350 -81 C +ATOM 1210 O ALA A 156 10.215 -12.305 53.977 1.00 19.45 O +ANISOU 1210 O ALA A 156 2954 3068 1366 1067 -434 240 O +ATOM 1211 CB ALA A 156 11.702 -13.223 56.536 1.00 16.77 C +ANISOU 1211 CB ALA A 156 2828 2074 1469 757 -64 1 C +ATOM 1212 N TYR A 157 11.787 -10.734 54.331 1.00 17.18 N +ANISOU 1212 N TYR A 157 2531 2599 1398 1643 -457 -268 N +ATOM 1213 CA TYR A 157 12.089 -10.475 52.913 1.00 15.30 C +ANISOU 1213 CA TYR A 157 2357 1986 1471 1268 -558 -259 C +ATOM 1214 C TYR A 157 13.103 -11.506 52.446 1.00 11.26 C +ANISOU 1214 C TYR A 157 1396 1544 1338 533 -319 -54 C +ATOM 1215 O TYR A 157 14.162 -11.679 53.057 1.00 12.80 O +ANISOU 1215 O TYR A 157 1693 1755 1415 566 -552 -123 O +ATOM 1216 CB TYR A 157 12.627 -9.041 52.746 1.00 17.74 C +ANISOU 1216 CB TYR A 157 3172 1807 1763 1189 -912 -438 C +ATOM 1217 CG TYR A 157 13.148 -8.767 51.347 1.00 16.09 C +ANISOU 1217 CG TYR A 157 2993 1447 1674 802 -1181 -248 C +ATOM 1218 CD1 TYR A 157 12.284 -8.501 50.301 1.00 16.44 C +ANISOU 1218 CD1 TYR A 157 2994 1410 1841 1117 -1224 -365 C +ATOM 1219 CD2 TYR A 157 14.518 -8.854 51.089 1.00 15.47 C +ANISOU 1219 CD2 TYR A 157 2850 1270 1757 489 -1307 389 C +ATOM 1220 CE1 TYR A 157 12.802 -8.289 49.026 1.00 16.13 C +ANISOU 1220 CE1 TYR A 157 3180 1154 1797 301 -1469 -23 C +ATOM 1221 CE2 TYR A 157 15.037 -8.641 49.832 1.00 15.67 C +ANISOU 1221 CE2 TYR A 157 2966 1172 1815 108 -1217 296 C +ATOM 1222 CZ TYR A 157 14.151 -8.350 48.809 1.00 16.08 C +ANISOU 1222 CZ TYR A 157 3299 1326 1483 250 -1279 -226 C +ATOM 1223 OH TYR A 157 14.657 -8.136 47.551 1.00 18.18 O +ANISOU 1223 OH TYR A 157 3716 1640 1551 -161 -1279 -28 O +ATOM 1224 N SER A 158 12.750 -12.191 51.355 1.00 9.43 N +ANISOU 1224 N SER A 158 1189 1238 1156 224 -167 148 N +ATOM 1225 CA SER A 158 13.667 -13.173 50.756 1.00 8.70 C +ANISOU 1225 CA SER A 158 987 1258 1059 160 -130 223 C +ATOM 1226 C SER A 158 13.330 -13.186 49.261 1.00 8.58 C +ANISOU 1226 C SER A 158 939 1197 1125 78 -93 205 C +ATOM 1227 O SER A 158 12.310 -13.741 48.876 1.00 8.85 O +ANISOU 1227 O SER A 158 897 1400 1066 93 -99 223 O +ATOM 1228 CB SER A 158 13.512 -14.562 51.348 1.00 9.60 C +ANISOU 1228 CB SER A 158 1093 1244 1310 279 -120 334 C +ATOM 1229 OG SER A 158 14.361 -15.442 50.673 1.00 10.81 O +ANISOU 1229 OG SER A 158 1261 1415 1433 402 -97 358 O +ATOM 1230 N TYR A 159 14.154 -12.570 48.459 1.00 9.07 N +ANISOU 1230 N TYR A 159 1147 1208 1090 50 -95 286 N +ATOM 1231 CA TYR A 159 13.851 -12.462 47.039 1.00 9.03 C +ANISOU 1231 CA TYR A 159 1237 1066 1126 -129 -161 309 C +ATOM 1232 C TYR A 159 13.706 -13.868 46.461 1.00 8.22 C +ANISOU 1232 C TYR A 159 967 1115 1043 52 24 259 C +ATOM 1233 O TYR A 159 14.577 -14.711 46.657 1.00 11.12 O +ANISOU 1233 O TYR A 159 1337 1457 1430 521 -276 156 O +ATOM 1234 CB TYR A 159 14.934 -11.674 46.366 1.00 10.46 C +ANISOU 1234 CB TYR A 159 1247 1525 1204 -329 -228 443 C +ATOM 1235 CG TYR A 159 14.675 -11.319 44.921 1.00 8.77 C +ANISOU 1235 CG TYR A 159 923 1361 1049 18 -36 208 C +ATOM 1236 CD1 TYR A 159 14.361 -9.968 44.607 1.00 9.61 C +ANISOU 1236 CD1 TYR A 159 1236 1387 1029 236 115 169 C +ATOM 1237 CD2 TYR A 159 14.731 -12.235 43.876 1.00 8.41 C +ANISOU 1237 CD2 TYR A 159 695 1349 1150 99 39 227 C +ATOM 1238 CE1 TYR A 159 14.114 -9.606 43.291 1.00 8.98 C +ANISOU 1238 CE1 TYR A 159 1262 1018 1131 110 -304 18 C +ATOM 1239 CE2 TYR A 159 14.482 -11.842 42.571 1.00 8.51 C +ANISOU 1239 CE2 TYR A 159 1187 949 1099 55 65 191 C +ATOM 1240 CZ TYR A 159 14.171 -10.554 42.292 1.00 7.44 C +ANISOU 1240 CZ TYR A 159 898 857 1072 21 51 76 C +ATOM 1241 OH TYR A 159 13.990 -10.131 40.978 1.00 8.08 O +ANISOU 1241 OH TYR A 159 1037 893 1139 32 10 132 O +ATOM 1242 N SER A 160 12.681 -14.075 45.666 1.00 7.66 N +ANISOU 1242 N SER A 160 983 895 1033 126 8 181 N +ATOM 1243 CA SER A 160 12.492 -15.373 45.047 1.00 8.56 C +ANISOU 1243 CA SER A 160 1114 937 1201 94 -46 173 C +ATOM 1244 C SER A 160 11.780 -15.238 43.719 1.00 7.82 C +ANISOU 1244 C SER A 160 802 793 1377 63 -119 -43 C +ATOM 1245 O SER A 160 10.689 -14.665 43.601 1.00 8.57 O +ANISOU 1245 O SER A 160 864 1037 1356 145 -19 42 O +ATOM 1246 CB SER A 160 11.677 -16.241 46.014 1.00 10.13 C +ANISOU 1246 CB SER A 160 1263 993 1591 -41 253 177 C +ATOM 1247 OG SER A 160 11.492 -17.519 45.389 1.00 9.54 O +ANISOU 1247 OG SER A 160 1113 1110 1402 -20 24 142 O +ATOM 1248 N ASN A 161 12.438 -15.755 42.671 1.00 7.57 N +ANISOU 1248 N ASN A 161 771 833 1272 -34 -54 124 N +ATOM 1249 CA ASN A 161 11.821 -15.788 41.333 1.00 7.55 C +ANISOU 1249 CA ASN A 161 708 980 1181 -54 33 215 C +ATOM 1250 C ASN A 161 10.495 -16.483 41.369 1.00 7.47 C +ANISOU 1250 C ASN A 161 673 942 1223 18 18 232 C +ATOM 1251 O ASN A 161 9.601 -16.133 40.594 1.00 7.56 O +ANISOU 1251 O ASN A 161 662 1096 1114 -28 34 185 O +ATOM 1252 CB ASN A 161 12.752 -16.509 40.349 1.00 7.77 C +ANISOU 1252 CB ASN A 161 748 809 1397 18 55 23 C +ATOM 1253 CG ASN A 161 13.895 -15.630 39.918 1.00 7.74 C +ANISOU 1253 CG ASN A 161 745 884 1313 129 141 216 C +ATOM 1254 OD1 ASN A 161 13.676 -14.648 39.201 1.00 8.76 O +ANISOU 1254 OD1 ASN A 161 902 1059 1369 118 109 304 O +ATOM 1255 ND2 ASN A 161 15.086 -15.991 40.301 1.00 13.24 N +ANISOU 1255 ND2 ASN A 161 768 1480 2784 81 15 946 N +ATOM 1256 N THR A 162 10.315 -17.461 42.269 1.00 7.94 N +ANISOU 1256 N THR A 162 755 1003 1260 -60 98 231 N +ATOM 1257 CA THR A 162 9.084 -18.220 42.347 1.00 8.64 C +ANISOU 1257 CA THR A 162 829 827 1627 83 189 353 C +ATOM 1258 C THR A 162 7.892 -17.285 42.508 1.00 7.14 C +ANISOU 1258 C THR A 162 742 851 1121 39 131 262 C +ATOM 1259 O THR A 162 6.805 -17.542 41.972 1.00 8.32 O +ANISOU 1259 O THR A 162 834 1054 1274 -49 -63 290 O +ATOM 1260 CB THR A 162 9.130 -19.184 43.567 1.00 7.80 C +ANISOU 1260 CB THR A 162 846 804 1314 94 6 274 C +ATOM 1261 OG1 THR A 162 10.382 -19.894 43.423 1.00 8.47 O +ANISOU 1261 OG1 THR A 162 891 946 1380 173 130 171 O +ATOM 1262 CG2 THR A 162 7.972 -20.149 43.552 1.00 9.00 C +ANISOU 1262 CG2 THR A 162 958 1147 1316 -115 -4 418 C +ATOM 1263 N ASN A 163 8.098 -16.194 43.277 1.00 7.68 N +ANISOU 1263 N ASN A 163 847 910 1163 124 18 160 N +ATOM 1264 CA ASN A 163 6.982 -15.260 43.529 1.00 7.92 C +ANISOU 1264 CA ASN A 163 797 976 1234 106 152 269 C +ATOM 1265 C ASN A 163 6.428 -14.708 42.233 1.00 7.40 C +ANISOU 1265 C ASN A 163 610 911 1290 -15 46 174 C +ATOM 1266 O ASN A 163 5.226 -14.491 42.099 1.00 8.70 O +ANISOU 1266 O ASN A 163 588 938 1779 26 104 436 O +ATOM 1267 CB ASN A 163 7.484 -14.123 44.418 1.00 8.40 C +ANISOU 1267 CB ASN A 163 1184 921 1086 144 201 213 C +ATOM 1268 CG ASN A 163 7.704 -14.579 45.858 1.00 7.61 C +ANISOU 1268 CG ASN A 163 904 910 1078 127 305 248 C +ATOM 1269 OD1 ASN A 163 8.734 -14.211 46.505 1.00 10.42 O +ANISOU 1269 OD1 ASN A 163 1092 1264 1603 35 -27 214 O +ATOM 1270 ND2 ASN A 163 6.791 -15.399 46.342 1.00 7.01 N +ANISOU 1270 ND2 ASN A 163 776 923 965 143 307 177 N +ATOM 1271 N PHE A 164 7.320 -14.434 41.226 1.00 7.70 N +ANISOU 1271 N PHE A 164 835 845 1245 74 191 216 N +ATOM 1272 CA PHE A 164 6.818 -13.852 39.987 1.00 7.23 C +ANISOU 1272 CA PHE A 164 621 811 1314 117 10 211 C +ATOM 1273 C PHE A 164 6.509 -14.885 38.918 1.00 8.01 C +ANISOU 1273 C PHE A 164 715 1012 1317 40 111 207 C +ATOM 1274 O PHE A 164 5.848 -14.519 37.933 1.00 8.69 O +ANISOU 1274 O PHE A 164 1017 936 1351 20 -110 89 O +ATOM 1275 CB PHE A 164 7.724 -12.696 39.470 1.00 7.65 C +ANISOU 1275 CB PHE A 164 791 863 1255 88 70 148 C +ATOM 1276 CG PHE A 164 7.350 -11.455 40.314 1.00 7.15 C +ANISOU 1276 CG PHE A 164 875 824 1019 -99 145 248 C +ATOM 1277 CD1 PHE A 164 7.792 -11.309 41.624 1.00 8.02 C +ANISOU 1277 CD1 PHE A 164 958 1132 958 -157 224 152 C +ATOM 1278 CD2 PHE A 164 6.513 -10.469 39.770 1.00 7.75 C +ANISOU 1278 CD2 PHE A 164 829 871 1246 92 298 297 C +ATOM 1279 CE1 PHE A 164 7.365 -10.228 42.395 1.00 8.43 C +ANISOU 1279 CE1 PHE A 164 1139 972 1093 -70 183 173 C +ATOM 1280 CE2 PHE A 164 6.101 -9.413 40.504 1.00 8.41 C +ANISOU 1280 CE2 PHE A 164 802 1009 1384 64 134 77 C +ATOM 1281 CZ PHE A 164 6.506 -9.284 41.839 1.00 8.87 C +ANISOU 1281 CZ PHE A 164 891 1218 1261 -54 240 234 C +ATOM 1282 N VAL A 165 6.790 -16.153 39.138 1.00 7.98 N +ANISOU 1282 N VAL A 165 765 897 1371 38 73 85 N +ATOM 1283 CA VAL A 165 6.160 -17.274 38.456 1.00 9.54 C +ANISOU 1283 CA VAL A 165 902 1077 1644 46 -214 126 C +ATOM 1284 C VAL A 165 4.685 -17.338 38.932 1.00 8.89 C +ANISOU 1284 C VAL A 165 869 810 1698 39 -217 176 C +ATOM 1285 O VAL A 165 3.774 -17.381 38.084 1.00 10.39 O +ANISOU 1285 O VAL A 165 912 1105 1930 -125 -307 289 O +ATOM 1286 CB VAL A 165 6.891 -18.576 38.745 1.00 9.90 C +ANISOU 1286 CB VAL A 165 997 924 1839 163 -247 -96 C +ATOM 1287 CG1 VAL A 165 6.115 -19.769 38.089 1.00 14.44 C +ANISOU 1287 CG1 VAL A 165 1582 1079 2825 119 -822 -198 C +ATOM 1288 CG2 VAL A 165 8.291 -18.541 38.192 1.00 11.53 C +ANISOU 1288 CG2 VAL A 165 1170 1484 1727 304 -51 3 C +ATOM 1289 N VAL A 166 4.444 -17.272 40.240 1.00 9.87 N +ANISOU 1289 N VAL A 166 865 1099 1786 13 -68 309 N +ATOM 1290 CA VAL A 166 3.059 -17.157 40.727 1.00 9.48 C +ANISOU 1290 CA VAL A 166 849 1136 1616 -56 -172 381 C +ATOM 1291 C VAL A 166 2.384 -15.952 40.084 1.00 8.52 C +ANISOU 1291 C VAL A 166 727 1060 1450 -77 26 287 C +ATOM 1292 O VAL A 166 1.230 -16.049 39.674 1.00 9.75 O +ANISOU 1292 O VAL A 166 751 1159 1794 -165 -92 460 O +ATOM 1293 CB VAL A 166 3.022 -17.075 42.253 1.00 10.28 C +ANISOU 1293 CB VAL A 166 939 1333 1634 -113 -75 548 C +ATOM 1294 CG1 VAL A 166 1.600 -16.793 42.766 1.00 12.24 C +ANISOU 1294 CG1 VAL A 166 1032 1995 1624 -89 57 666 C +ATOM 1295 CG2 VAL A 166 3.595 -18.359 42.888 1.00 11.64 C +ANISOU 1295 CG2 VAL A 166 1469 1249 1706 -102 38 658 C +ATOM 1296 N ALA A 167 3.061 -14.841 39.990 1.00 8.72 N +ANISOU 1296 N ALA A 167 713 1026 1573 -56 -14 314 N +ATOM 1297 CA ALA A 167 2.473 -13.649 39.391 1.00 9.05 C +ANISOU 1297 CA ALA A 167 709 1067 1664 -10 1 356 C +ATOM 1298 C ALA A 167 1.953 -13.946 37.972 1.00 8.79 C +ANISOU 1298 C ALA A 167 647 1015 1677 -102 -31 473 C +ATOM 1299 O ALA A 167 0.859 -13.516 37.615 1.00 10.23 O +ANISOU 1299 O ALA A 167 743 1223 1922 -4 -80 572 O +ATOM 1300 CB ALA A 167 3.493 -12.514 39.357 1.00 9.82 C +ANISOU 1300 CB ALA A 167 705 1054 1972 49 -134 371 C +ATOM 1301 N GLY A 168 2.801 -14.586 37.167 1.00 8.86 N +ANISOU 1301 N GLY A 168 746 1139 1481 -167 15 410 N +ATOM 1302 CA GLY A 168 2.387 -14.939 35.803 1.00 10.15 C +ANISOU 1302 CA GLY A 168 939 1361 1557 -220 -69 363 C +ATOM 1303 C GLY A 168 1.165 -15.828 35.780 1.00 9.78 C +ANISOU 1303 C GLY A 168 832 1053 1832 6 -222 375 C +ATOM 1304 O GLY A 168 0.228 -15.656 34.972 1.00 10.55 O +ANISOU 1304 O GLY A 168 790 1431 1790 -165 -135 527 O +ATOM 1305 N MET A 169 1.163 -16.822 36.671 1.00 10.89 N +ANISOU 1305 N MET A 169 983 1244 1912 -205 -258 450 N +ATOM 1306 CA MET A 169 0.020 -17.752 36.743 1.00 11.91 C +ANISOU 1306 CA MET A 169 1042 1352 2131 -170 -233 669 C +ATOM 1307 C MET A 169 -1.256 -17.044 37.092 1.00 11.42 C +ANISOU 1307 C MET A 169 917 1360 2061 -213 -329 704 C +ATOM 1308 O MET A 169 -2.328 -17.350 36.544 1.00 13.79 O +ANISOU 1308 O MET A 169 975 1519 2744 -533 -428 679 O +ATOM 1309 CB AMET A 169 0.282 -18.712 37.909 0.58 13.78 C +ANISOU 1309 CB AMET A 169 1338 1458 2441 235 178 899 C +ATOM 1310 CB BMET A 169 0.316 -18.924 37.681 0.42 12.94 C +ANISOU 1310 CB BMET A 169 1043 1310 2563 -319 -759 739 C +ATOM 1311 CG AMET A 169 1.322 -19.681 37.418 0.58 10.26 C +ANISOU 1311 CG AMET A 169 686 1365 1848 -220 16 624 C +ATOM 1312 CG BMET A 169 -0.228 -20.295 37.262 0.42 13.23 C +ANISOU 1312 CG BMET A 169 1169 1445 2411 -624 -135 689 C +ATOM 1313 SD AMET A 169 1.643 -20.974 38.613 0.58 11.30 S +ANISOU 1313 SD AMET A 169 1192 1474 1629 270 4 450 S +ATOM 1314 SD BMET A 169 0.485 -21.546 38.365 0.42 15.43 S +ANISOU 1314 SD BMET A 169 1691 1324 2848 -186 199 842 S +ATOM 1315 CE AMET A 169 0.295 -22.100 38.263 0.58 16.90 C +ANISOU 1315 CE AMET A 169 2312 2002 2106 -807 -309 1460 C +ATOM 1316 CE BMET A 169 -0.505 -22.960 37.880 0.42 18.01 C +ANISOU 1316 CE BMET A 169 2507 765 3570 324 383 -162 C +ATOM 1317 N LEU A 170 -1.142 -16.079 38.030 1.00 11.26 N +ANISOU 1317 N LEU A 170 945 1437 1896 -273 -122 683 N +ATOM 1318 CA LEU A 170 -2.318 -15.311 38.406 1.00 12.57 C +ANISOU 1318 CA LEU A 170 944 2062 1771 -156 -71 510 C +ATOM 1319 C LEU A 170 -2.824 -14.446 37.265 1.00 11.31 C +ANISOU 1319 C LEU A 170 763 1702 1832 -107 52 410 C +ATOM 1320 O LEU A 170 -4.016 -14.371 37.033 1.00 13.40 O +ANISOU 1320 O LEU A 170 666 2033 2392 -200 -80 600 O +ATOM 1321 CB LEU A 170 -1.932 -14.427 39.598 1.00 14.02 C +ANISOU 1321 CB LEU A 170 1234 2291 1802 -490 142 336 C +ATOM 1322 CG LEU A 170 -1.808 -14.952 40.988 1.00 13.95 C +ANISOU 1322 CG LEU A 170 1221 2275 1804 -370 0 324 C +ATOM 1323 CD1 LEU A 170 -1.314 -13.868 41.936 1.00 18.00 C +ANISOU 1323 CD1 LEU A 170 2343 2515 1982 -721 375 -90 C +ATOM 1324 CD2 LEU A 170 -3.204 -15.403 41.454 1.00 16.71 C +ANISOU 1324 CD2 LEU A 170 1588 2027 2732 -407 583 779 C +ATOM 1325 N ILE A 171 -1.885 -13.813 36.539 1.00 10.71 N +ANISOU 1325 N ILE A 171 676 1537 1858 -85 -128 550 N +ATOM 1326 CA ILE A 171 -2.318 -13.010 35.393 1.00 10.74 C +ANISOU 1326 CA ILE A 171 713 1521 1845 -169 -225 510 C +ATOM 1327 C ILE A 171 -3.077 -13.893 34.413 1.00 10.62 C +ANISOU 1327 C ILE A 171 789 1264 1981 -122 -308 677 C +ATOM 1328 O ILE A 171 -4.153 -13.499 33.948 1.00 11.26 O +ANISOU 1328 O ILE A 171 736 1518 2023 -129 -212 478 O +ATOM 1329 CB ILE A 171 -1.100 -12.326 34.767 1.00 9.47 C +ANISOU 1329 CB ILE A 171 731 1375 1492 -4 -34 298 C +ATOM 1330 CG1 ILE A 171 -0.458 -11.276 35.632 1.00 10.02 C +ANISOU 1330 CG1 ILE A 171 902 1016 1887 -64 -5 318 C +ATOM 1331 CG2 ILE A 171 -1.535 -11.731 33.393 1.00 11.42 C +ANISOU 1331 CG2 ILE A 171 891 1550 1897 -149 -242 606 C +ATOM 1332 CD1 ILE A 171 0.894 -10.714 35.181 1.00 11.40 C +ANISOU 1332 CD1 ILE A 171 761 1453 2118 -18 89 298 C +ATOM 1333 N GLU A 172 -2.498 -15.045 34.078 1.00 11.24 N +ANISOU 1333 N GLU A 172 947 1343 1981 -196 -200 487 N +ATOM 1334 CA GLU A 172 -3.124 -15.840 33.017 1.00 11.56 C +ANISOU 1334 CA GLU A 172 919 1434 2038 -183 -287 496 C +ATOM 1335 C GLU A 172 -4.440 -16.431 33.497 1.00 11.97 C +ANISOU 1335 C GLU A 172 872 1565 2111 -228 -284 542 C +ATOM 1336 O GLU A 172 -5.410 -16.493 32.715 1.00 14.14 O +ANISOU 1336 O GLU A 172 1093 1936 2344 -369 -506 603 O +ATOM 1337 CB GLU A 172 -2.165 -16.938 32.503 1.00 11.88 C +ANISOU 1337 CB GLU A 172 826 1367 2321 -302 -263 349 C +ATOM 1338 CG GLU A 172 -0.950 -16.280 31.867 1.00 11.21 C +ANISOU 1338 CG GLU A 172 1178 1127 1954 -226 -97 425 C +ATOM 1339 CD GLU A 172 -0.161 -17.227 30.988 1.00 10.80 C +ANISOU 1339 CD GLU A 172 1311 1050 1741 -111 -179 538 C +ATOM 1340 OE1 GLU A 172 -0.478 -18.425 30.946 1.00 21.81 O +ANISOU 1340 OE1 GLU A 172 2424 1235 4628 -575 1433 -217 O +ATOM 1341 OE2 GLU A 172 0.783 -16.737 30.352 1.00 11.73 O +ANISOU 1341 OE2 GLU A 172 1250 1363 1845 -293 -193 447 O +ATOM 1342 N LYS A 173 -4.540 -16.832 34.757 1.00 12.01 N +ANISOU 1342 N LYS A 173 832 1443 2287 -257 -263 685 N +ATOM 1343 CA LYS A 173 -5.803 -17.399 35.230 1.00 12.84 C +ANISOU 1343 CA LYS A 173 932 1355 2593 -292 -203 812 C +ATOM 1344 C LYS A 173 -6.867 -16.345 35.300 1.00 13.89 C +ANISOU 1344 C LYS A 173 892 1471 2915 -217 -224 801 C +ATOM 1345 O LYS A 173 -8.035 -16.550 34.866 1.00 17.39 O +ANISOU 1345 O LYS A 173 805 1984 3817 -307 -288 687 O +ATOM 1346 CB LYS A 173 -5.524 -18.009 36.619 1.00 16.11 C +ANISOU 1346 CB LYS A 173 971 2400 2750 -267 -224 1330 C +ATOM 1347 CG LYS A 173 -6.800 -18.524 37.274 1.00 17.25 C +ANISOU 1347 CG LYS A 173 1218 2260 3078 -45 639 793 C +ATOM 1348 CD LYS A 173 -7.565 -19.507 36.380 1.00 26.11 C +ANISOU 1348 CD LYS A 173 2255 2464 5202 -1194 910 89 C +ATOM 1349 CE LYS A 173 -8.250 -20.560 37.261 1.00 32.24 C +ANISOU 1349 CE LYS A 173 3627 2165 6460 -835 792 1147 C +ATOM 1350 NZ LYS A 173 -7.128 -21.160 38.042 1.00 50.71 N +ANISOU 1350 NZ LYS A 173 7120 4465 7682 -73 -1914 1461 N +ATOM 1351 N LEU A 174 -6.575 -15.168 35.839 1.00 12.35 N +ANISOU 1351 N LEU A 174 812 1718 2160 25 6 557 N +ATOM 1352 CA LEU A 174 -7.636 -14.181 36.050 1.00 13.79 C +ANISOU 1352 CA LEU A 174 1106 2111 2021 310 220 583 C +ATOM 1353 C LEU A 174 -8.085 -13.492 34.763 1.00 12.28 C +ANISOU 1353 C LEU A 174 756 1623 2287 -225 52 776 C +ATOM 1354 O LEU A 174 -9.232 -13.046 34.654 1.00 14.20 O +ANISOU 1354 O LEU A 174 783 2092 2520 -150 -164 523 O +ATOM 1355 CB LEU A 174 -7.198 -13.159 37.110 1.00 14.43 C +ANISOU 1355 CB LEU A 174 1326 2026 2133 261 166 510 C +ATOM 1356 CG LEU A 174 -6.907 -13.731 38.508 1.00 15.45 C +ANISOU 1356 CG LEU A 174 1370 2372 2127 105 30 561 C +ATOM 1357 CD1 LEU A 174 -6.446 -12.638 39.449 1.00 23.45 C +ANISOU 1357 CD1 LEU A 174 2649 3202 3059 1533 -884 -812 C +ATOM 1358 CD2 LEU A 174 -8.115 -14.460 39.056 1.00 24.50 C +ANISOU 1358 CD2 LEU A 174 837 5411 3063 309 154 2231 C +ATOM 1359 N THR A 175 -7.220 -13.400 33.769 1.00 12.48 N +ANISOU 1359 N THR A 175 887 1955 1899 -200 -93 524 N +ATOM 1360 CA THR A 175 -7.519 -12.716 32.505 1.00 12.68 C +ANISOU 1360 CA THR A 175 872 1975 1971 -444 -191 554 C +ATOM 1361 C THR A 175 -7.962 -13.668 31.414 1.00 12.81 C +ANISOU 1361 C THR A 175 730 2065 2073 10 -327 379 C +ATOM 1362 O THR A 175 -8.590 -13.278 30.434 1.00 15.29 O +ANISOU 1362 O THR A 175 1033 2391 2386 -217 -723 549 O +ATOM 1363 CB THR A 175 -6.354 -11.873 31.963 1.00 11.80 C +ANISOU 1363 CB THR A 175 856 1779 1849 -115 16 494 C +ATOM 1364 OG1 THR A 175 -5.289 -12.759 31.554 1.00 11.59 O +ANISOU 1364 OG1 THR A 175 826 1691 1885 -184 -169 331 O +ATOM 1365 CG2 THR A 175 -5.865 -10.877 33.001 1.00 13.13 C +ANISOU 1365 CG2 THR A 175 1075 1337 2577 -24 -342 370 C +ATOM 1366 N GLY A 176 -7.609 -14.949 31.540 1.00 13.26 N +ANISOU 1366 N GLY A 176 934 1980 2123 -67 -309 371 N +ATOM 1367 CA GLY A 176 -7.836 -15.856 30.432 1.00 13.38 C +ANISOU 1367 CA GLY A 176 900 2033 2149 -214 -253 412 C +ATOM 1368 C GLY A 176 -6.936 -15.664 29.230 1.00 13.41 C +ANISOU 1368 C GLY A 176 1105 1871 2121 -307 -158 468 C +ATOM 1369 O GLY A 176 -7.177 -16.244 28.129 1.00 15.59 O +ANISOU 1369 O GLY A 176 1247 2308 2370 -720 -85 176 O +ATOM 1370 N HIS A 177 -5.875 -14.851 29.402 1.00 12.34 N +ANISOU 1370 N HIS A 177 962 1565 2160 -174 -176 339 N +ATOM 1371 CA HIS A 177 -4.973 -14.559 28.305 1.00 12.27 C +ANISOU 1371 CA HIS A 177 1011 1638 2012 -169 -264 404 C +ATOM 1372 C HIS A 177 -3.559 -14.879 28.710 1.00 11.58 C +ANISOU 1372 C HIS A 177 945 1626 1828 -434 -299 407 C +ATOM 1373 O HIS A 177 -3.247 -15.017 29.878 1.00 14.13 O +ANISOU 1373 O HIS A 177 996 2456 1916 -80 -335 496 O +ATOM 1374 CB HIS A 177 -5.000 -13.064 27.951 1.00 13.87 C +ANISOU 1374 CB HIS A 177 1137 1855 2279 -224 -324 609 C +ATOM 1375 CG HIS A 177 -6.364 -12.588 27.602 1.00 17.70 C +ANISOU 1375 CG HIS A 177 1217 2127 3381 -101 -453 1096 C +ATOM 1376 ND1 HIS A 177 -6.766 -11.326 27.937 1.00 22.16 N +ANISOU 1376 ND1 HIS A 177 1650 2232 4539 191 -682 911 N +ATOM 1377 CD2 HIS A 177 -7.400 -13.190 26.982 1.00 19.65 C +ANISOU 1377 CD2 HIS A 177 1409 2562 3494 -28 -984 1193 C +ATOM 1378 CE1 HIS A 177 -8.013 -11.141 27.515 1.00 27.06 C +ANISOU 1378 CE1 HIS A 177 2176 3067 5039 782 -1457 671 C +ATOM 1379 NE2 HIS A 177 -8.416 -12.271 26.949 1.00 26.00 N +ANISOU 1379 NE2 HIS A 177 1739 3109 5029 431 -1328 873 N +ATOM 1380 N SER A 178 -2.696 -14.917 27.721 1.00 12.70 N +ANISOU 1380 N SER A 178 1025 1809 1993 -319 -201 407 N +ATOM 1381 CA SER A 178 -1.264 -15.119 27.992 1.00 11.54 C +ANISOU 1381 CA SER A 178 1067 1475 1841 -130 -259 213 C +ATOM 1382 C SER A 178 -0.672 -13.860 28.589 1.00 10.36 C +ANISOU 1382 C SER A 178 863 1289 1785 -64 -146 343 C +ATOM 1383 O SER A 178 -1.149 -12.745 28.350 1.00 10.82 O +ANISOU 1383 O SER A 178 885 1281 1946 -137 -233 424 O +ATOM 1384 CB SER A 178 -0.505 -15.438 26.693 1.00 11.46 C +ANISOU 1384 CB SER A 178 1276 1225 1854 -199 -226 168 C +ATOM 1385 OG SER A 178 -0.530 -14.278 25.858 1.00 12.66 O +ANISOU 1385 OG SER A 178 1348 1508 1953 -368 -168 327 O +ATOM 1386 N VAL A 179 0.430 -14.032 29.341 1.00 10.13 N +ANISOU 1386 N VAL A 179 982 1290 1578 -10 -150 296 N +ATOM 1387 CA VAL A 179 1.114 -12.836 29.817 1.00 9.88 C +ANISOU 1387 CA VAL A 179 915 1148 1690 108 -196 191 C +ATOM 1388 C VAL A 179 1.570 -11.949 28.662 1.00 8.95 C +ANISOU 1388 C VAL A 179 580 1196 1624 86 -269 96 C +ATOM 1389 O VAL A 179 1.540 -10.718 28.758 1.00 9.57 O +ANISOU 1389 O VAL A 179 1001 1104 1531 53 -186 118 O +ATOM 1390 CB VAL A 179 2.272 -13.109 30.817 1.00 11.50 C +ANISOU 1390 CB VAL A 179 908 1573 1890 213 -276 366 C +ATOM 1391 CG1 VAL A 179 1.762 -13.748 32.089 1.00 14.55 C +ANISOU 1391 CG1 VAL A 179 1714 1977 1839 238 -39 445 C +ATOM 1392 CG2 VAL A 179 3.410 -13.909 30.218 1.00 11.30 C +ANISOU 1392 CG2 VAL A 179 964 1299 2029 265 -165 477 C +ATOM 1393 N ALA A 180 1.990 -12.555 27.538 1.00 9.12 N +ANISOU 1393 N ALA A 180 702 1154 1608 -163 -200 86 N +ATOM 1394 CA ALA A 180 2.408 -11.698 26.426 1.00 9.90 C +ANISOU 1394 CA ALA A 180 894 1303 1564 88 -122 140 C +ATOM 1395 C ALA A 180 1.309 -10.762 25.959 1.00 8.97 C +ANISOU 1395 C ALA A 180 861 1146 1399 -81 -170 41 C +ATOM 1396 O ALA A 180 1.549 -9.583 25.689 1.00 10.14 O +ANISOU 1396 O ALA A 180 945 1286 1622 -143 -134 333 O +ATOM 1397 CB ALA A 180 2.917 -12.541 25.244 1.00 11.74 C +ANISOU 1397 CB ALA A 180 1259 1534 1669 244 5 90 C +ATOM 1398 N THR A 181 0.089 -11.306 25.849 1.00 9.36 N +ANISOU 1398 N THR A 181 913 1190 1452 -13 -230 166 N +ATOM 1399 CA THR A 181 -1.064 -10.496 25.464 1.00 9.96 C +ANISOU 1399 CA THR A 181 964 1299 1521 70 -425 166 C +ATOM 1400 C THR A 181 -1.324 -9.381 26.466 1.00 8.82 C +ANISOU 1400 C THR A 181 802 1097 1452 -4 -252 277 C +ATOM 1401 O THR A 181 -1.586 -8.235 26.097 1.00 9.85 O +ANISOU 1401 O THR A 181 806 1228 1708 29 -188 350 O +ATOM 1402 CB THR A 181 -2.303 -11.388 25.382 1.00 11.60 C +ANISOU 1402 CB THR A 181 1076 1382 1948 -48 -558 59 C +ATOM 1403 OG1 THR A 181 -2.089 -12.209 24.224 1.00 13.04 O +ANISOU 1403 OG1 THR A 181 1250 1797 1906 -273 -428 14 O +ATOM 1404 CG2 THR A 181 -3.583 -10.591 25.161 1.00 12.55 C +ANISOU 1404 CG2 THR A 181 960 1718 2091 -137 -460 367 C +ATOM 1405 N GLU A 182 -1.273 -9.688 27.762 1.00 8.82 N +ANISOU 1405 N GLU A 182 728 1109 1513 -45 -136 277 N +ATOM 1406 CA GLU A 182 -1.557 -8.695 28.820 1.00 9.63 C +ANISOU 1406 CA GLU A 182 842 1299 1519 -170 77 273 C +ATOM 1407 C GLU A 182 -0.471 -7.633 28.826 1.00 8.43 C +ANISOU 1407 C GLU A 182 738 1144 1321 -17 -114 288 C +ATOM 1408 O GLU A 182 -0.813 -6.475 28.944 1.00 9.35 O +ANISOU 1408 O GLU A 182 813 1135 1605 96 -90 398 O +ATOM 1409 CB GLU A 182 -1.708 -9.392 30.147 1.00 10.26 C +ANISOU 1409 CB GLU A 182 807 1425 1664 7 100 532 C +ATOM 1410 CG GLU A 182 -2.960 -10.277 30.170 1.00 10.92 C +ANISOU 1410 CG GLU A 182 1022 1346 1779 -157 205 403 C +ATOM 1411 CD GLU A 182 -4.210 -9.497 29.982 1.00 15.65 C +ANISOU 1411 CD GLU A 182 940 1720 3285 -204 250 1002 C +ATOM 1412 OE1 GLU A 182 -4.445 -8.496 30.686 1.00 25.19 O +ANISOU 1412 OE1 GLU A 182 1495 2598 5478 583 693 -78 O +ATOM 1413 OE2 GLU A 182 -4.970 -9.881 29.102 1.00 27.08 O +ANISOU 1413 OE2 GLU A 182 2452 2104 5734 137 -1973 1078 O +ATOM 1414 N TYR A 183 0.805 -8.035 28.713 1.00 8.39 N +ANISOU 1414 N TYR A 183 736 1074 1379 -49 -15 261 N +ATOM 1415 CA TYR A 183 1.851 -7.033 28.640 1.00 8.11 C +ANISOU 1415 CA TYR A 183 619 1171 1293 -9 -163 294 C +ATOM 1416 C TYR A 183 1.635 -6.108 27.451 1.00 8.20 C +ANISOU 1416 C TYR A 183 656 1115 1345 -130 -98 281 C +ATOM 1417 O TYR A 183 1.765 -4.870 27.531 1.00 8.61 O +ANISOU 1417 O TYR A 183 805 1094 1374 -40 -80 324 O +ATOM 1418 CB TYR A 183 3.232 -7.675 28.446 1.00 8.48 C +ANISOU 1418 CB TYR A 183 691 1195 1337 -6 -129 275 C +ATOM 1419 CG TYR A 183 3.765 -8.417 29.653 1.00 7.84 C +ANISOU 1419 CG TYR A 183 629 1050 1302 -8 -110 208 C +ATOM 1420 CD1 TYR A 183 3.560 -8.068 30.975 1.00 9.45 C +ANISOU 1420 CD1 TYR A 183 1138 1189 1264 -8 -172 177 C +ATOM 1421 CD2 TYR A 183 4.560 -9.549 29.417 1.00 9.78 C +ANISOU 1421 CD2 TYR A 183 921 1330 1465 306 55 381 C +ATOM 1422 CE1 TYR A 183 4.111 -8.814 32.026 1.00 8.95 C +ANISOU 1422 CE1 TYR A 183 935 1125 1341 61 -207 83 C +ATOM 1423 CE2 TYR A 183 5.112 -10.322 30.422 1.00 10.24 C +ANISOU 1423 CE2 TYR A 183 1092 1509 1291 459 -8 264 C +ATOM 1424 CZ TYR A 183 4.882 -9.944 31.736 1.00 9.58 C +ANISOU 1424 CZ TYR A 183 897 1431 1313 249 116 271 C +ATOM 1425 OH TYR A 183 5.459 -10.732 32.719 1.00 11.69 O +ANISOU 1425 OH TYR A 183 1562 1545 1335 722 -62 93 O +ATOM 1426 N GLN A 184 1.304 -6.730 26.308 1.00 8.72 N +ANISOU 1426 N GLN A 184 799 1275 1240 -110 -96 307 N +ATOM 1427 CA GLN A 184 1.135 -5.919 25.108 1.00 9.61 C +ANISOU 1427 CA GLN A 184 1000 1300 1352 95 -177 276 C +ATOM 1428 C GLN A 184 0.000 -4.921 25.241 1.00 8.85 C +ANISOU 1428 C GLN A 184 935 1117 1312 -49 -212 154 C +ATOM 1429 O GLN A 184 0.124 -3.737 24.905 1.00 9.70 O +ANISOU 1429 O GLN A 184 991 1149 1547 -17 -149 189 O +ATOM 1430 CB GLN A 184 0.858 -6.829 23.920 1.00 10.44 C +ANISOU 1430 CB GLN A 184 1201 1594 1172 260 43 95 C +ATOM 1431 CG GLN A 184 0.921 -6.068 22.588 1.00 12.26 C +ANISOU 1431 CG GLN A 184 1564 1722 1372 -100 -10 193 C +ATOM 1432 CD GLN A 184 2.338 -5.627 22.235 1.00 11.38 C +ANISOU 1432 CD GLN A 184 1576 1529 1219 -39 1 86 C +ATOM 1433 OE1 GLN A 184 3.268 -6.422 22.299 1.00 15.18 O +ANISOU 1433 OE1 GLN A 184 1611 1596 2562 47 107 -15 O +ATOM 1434 NE2 GLN A 184 2.502 -4.341 21.893 1.00 12.74 N +ANISOU 1434 NE2 GLN A 184 1925 1526 1391 -152 -89 82 N +ATOM 1435 N ASN A 185 -1.168 -5.408 25.700 1.00 9.34 N +ANISOU 1435 N ASN A 185 831 1291 1426 27 -281 254 N +ATOM 1436 CA ASN A 185 -2.340 -4.539 25.713 1.00 9.73 C +ANISOU 1436 CA ASN A 185 912 1303 1481 67 -116 383 C +ATOM 1437 C ASN A 185 -2.308 -3.515 26.827 1.00 9.69 C +ANISOU 1437 C ASN A 185 806 1282 1595 144 -69 429 C +ATOM 1438 O ASN A 185 -2.873 -2.451 26.614 1.00 10.89 O +ANISOU 1438 O ASN A 185 1127 1297 1714 184 -258 379 O +ATOM 1439 CB ASN A 185 -3.578 -5.435 25.841 1.00 12.50 C +ANISOU 1439 CB ASN A 185 867 1658 2226 -143 -159 289 C +ATOM 1440 CG ASN A 185 -3.890 -6.326 24.655 1.00 13.90 C +ANISOU 1440 CG ASN A 185 1464 1200 2620 2 -616 309 C +ATOM 1441 OD1 ASN A 185 -4.699 -7.302 24.756 1.00 19.09 O +ANISOU 1441 OD1 ASN A 185 1619 1804 3831 -505 -1084 561 O +ATOM 1442 ND2 ASN A 185 -3.259 -6.089 23.530 1.00 14.95 N +ANISOU 1442 ND2 ASN A 185 1528 1929 2223 -169 -882 -32 N +ATOM 1443 N ARG A 186 -1.712 -3.847 27.957 1.00 9.35 N +ANISOU 1443 N ARG A 186 626 1413 1512 221 -43 315 N +ATOM 1444 CA ARG A 186 -1.788 -2.968 29.129 1.00 9.83 C +ANISOU 1444 CA ARG A 186 932 1183 1620 94 59 314 C +ATOM 1445 C ARG A 186 -0.563 -2.076 29.234 1.00 8.87 C +ANISOU 1445 C ARG A 186 808 1112 1452 279 15 346 C +ATOM 1446 O ARG A 186 -0.657 -1.067 29.943 1.00 10.54 O +ANISOU 1446 O ARG A 186 990 1322 1692 41 209 93 O +ATOM 1447 CB ARG A 186 -1.905 -3.799 30.419 1.00 9.88 C +ANISOU 1447 CB ARG A 186 769 1372 1612 28 -40 407 C +ATOM 1448 CG ARG A 186 -3.246 -4.571 30.445 1.00 10.10 C +ANISOU 1448 CG ARG A 186 747 1347 1744 -1 -10 406 C +ATOM 1449 CD ARG A 186 -3.286 -5.428 31.729 1.00 10.30 C +ANISOU 1449 CD ARG A 186 1012 1505 1397 -57 56 333 C +ATOM 1450 NE ARG A 186 -4.614 -6.098 31.831 1.00 10.95 N +ANISOU 1450 NE ARG A 186 897 1642 1620 39 119 361 N +ATOM 1451 CZ ARG A 186 -5.672 -5.542 32.393 1.00 11.80 C +ANISOU 1451 CZ ARG A 186 989 1962 1531 -108 185 185 C +ATOM 1452 NH1 ARG A 186 -5.594 -4.345 32.933 1.00 11.96 N +ANISOU 1452 NH1 ARG A 186 1179 1626 1738 20 234 347 N +ATOM 1453 NH2 ARG A 186 -6.829 -6.175 32.430 1.00 13.23 N +ANISOU 1453 NH2 ARG A 186 919 2069 2040 -176 197 275 N +ATOM 1454 N ILE A 187 0.537 -2.403 28.568 1.00 8.23 N +ANISOU 1454 N ILE A 187 766 991 1370 165 -59 208 N +ATOM 1455 CA ILE A 187 1.804 -1.674 28.770 1.00 7.96 C +ANISOU 1455 CA ILE A 187 876 976 1174 -31 -164 161 C +ATOM 1456 C ILE A 187 2.461 -1.338 27.438 1.00 7.96 C +ANISOU 1456 C ILE A 187 908 1002 1113 16 -201 211 C +ATOM 1457 O ILE A 187 2.671 -0.164 27.142 1.00 9.00 O +ANISOU 1457 O ILE A 187 942 1047 1430 61 -131 331 O +ATOM 1458 CB ILE A 187 2.791 -2.419 29.693 1.00 8.25 C +ANISOU 1458 CB ILE A 187 813 1142 1180 -87 -93 342 C +ATOM 1459 CG1 ILE A 187 2.109 -2.810 31.024 1.00 9.35 C +ANISOU 1459 CG1 ILE A 187 894 1394 1267 111 67 351 C +ATOM 1460 CG2 ILE A 187 4.040 -1.530 29.869 1.00 9.38 C +ANISOU 1460 CG2 ILE A 187 873 1187 1503 -151 -342 298 C +ATOM 1461 CD1 ILE A 187 2.993 -3.674 31.902 1.00 8.51 C +ANISOU 1461 CD1 ILE A 187 1080 1071 1083 38 67 284 C +ATOM 1462 N PHE A 188 2.783 -2.350 26.628 1.00 8.01 N +ANISOU 1462 N PHE A 188 767 1015 1263 112 -132 194 N +ATOM 1463 CA PHE A 188 3.652 -2.080 25.491 1.00 8.59 C +ANISOU 1463 CA PHE A 188 913 1126 1226 90 -50 236 C +ATOM 1464 C PHE A 188 2.975 -1.196 24.459 1.00 9.02 C +ANISOU 1464 C PHE A 188 946 1255 1225 76 -31 211 C +ATOM 1465 O PHE A 188 3.552 -0.227 23.943 1.00 10.21 O +ANISOU 1465 O PHE A 188 1061 1379 1439 -13 -206 441 O +ATOM 1466 CB PHE A 188 4.141 -3.358 24.801 1.00 8.66 C +ANISOU 1466 CB PHE A 188 884 1128 1278 -22 -27 147 C +ATOM 1467 CG PHE A 188 4.845 -4.387 25.650 1.00 8.69 C +ANISOU 1467 CG PHE A 188 740 1141 1419 -18 50 274 C +ATOM 1468 CD1 PHE A 188 5.357 -4.142 26.937 1.00 9.01 C +ANISOU 1468 CD1 PHE A 188 662 1440 1321 -149 6 492 C +ATOM 1469 CD2 PHE A 188 5.047 -5.650 25.091 1.00 10.63 C +ANISOU 1469 CD2 PHE A 188 983 1143 1913 -45 149 184 C +ATOM 1470 CE1 PHE A 188 6.013 -5.153 27.638 1.00 9.72 C +ANISOU 1470 CE1 PHE A 188 662 1348 1684 71 -7 352 C +ATOM 1471 CE2 PHE A 188 5.713 -6.659 25.801 1.00 10.97 C +ANISOU 1471 CE2 PHE A 188 1136 1156 1874 99 374 257 C +ATOM 1472 CZ PHE A 188 6.214 -6.398 27.051 1.00 11.18 C +ANISOU 1472 CZ PHE A 188 894 1488 1866 56 330 313 C +ATOM 1473 N THR A 189 1.730 -1.511 24.136 1.00 9.92 N +ANISOU 1473 N THR A 189 1096 1293 1379 24 -329 262 N +ATOM 1474 CA THR A 189 1.008 -0.717 23.143 1.00 10.83 C +ANISOU 1474 CA THR A 189 1196 1287 1631 44 -461 360 C +ATOM 1475 C THR A 189 0.679 0.657 23.698 1.00 9.89 C +ANISOU 1475 C THR A 189 966 1371 1422 -32 -479 475 C +ATOM 1476 O THR A 189 0.973 1.673 23.038 1.00 10.67 O +ANISOU 1476 O THR A 189 1288 1308 1457 307 -233 484 O +ATOM 1477 CB THR A 189 -0.227 -1.455 22.595 1.00 12.40 C +ANISOU 1477 CB THR A 189 1250 1375 2087 63 -628 269 C +ATOM 1478 OG1 THR A 189 0.275 -2.556 21.826 1.00 14.04 O +ANISOU 1478 OG1 THR A 189 2177 1543 1614 -48 -686 129 O +ATOM 1479 CG2 THR A 189 -1.047 -0.587 21.653 1.00 15.56 C +ANISOU 1479 CG2 THR A 189 2018 1718 2175 -31 -1197 406 C +ATOM 1480 N PRO A 190 0.042 0.797 24.867 1.00 10.57 N +ANISOU 1480 N PRO A 190 991 1275 1751 64 -174 486 N +ATOM 1481 CA PRO A 190 -0.300 2.165 25.331 1.00 12.11 C +ANISOU 1481 CA PRO A 190 945 1319 2338 40 -118 331 C +ATOM 1482 C PRO A 190 0.906 3.084 25.452 1.00 10.09 C +ANISOU 1482 C PRO A 190 878 1211 1745 138 -110 378 C +ATOM 1483 O PRO A 190 0.723 4.287 25.273 1.00 11.98 O +ANISOU 1483 O PRO A 190 1062 1226 2266 202 -185 419 O +ATOM 1484 CB PRO A 190 -0.940 1.942 26.728 1.00 15.38 C +ANISOU 1484 CB PRO A 190 1294 1792 2758 -242 562 -54 C +ATOM 1485 CG PRO A 190 -1.361 0.503 26.728 1.00 16.30 C +ANISOU 1485 CG PRO A 190 2485 1349 2357 380 775 450 C +ATOM 1486 CD PRO A 190 -0.500 -0.240 25.756 1.00 11.11 C +ANISOU 1486 CD PRO A 190 999 1429 1794 76 51 528 C +ATOM 1487 N LEU A 191 2.091 2.586 25.804 1.00 9.29 N +ANISOU 1487 N LEU A 191 879 1048 1605 182 -121 223 N +ATOM 1488 CA LEU A 191 3.288 3.425 25.968 1.00 9.08 C +ANISOU 1488 CA LEU A 191 938 1045 1466 177 -133 115 C +ATOM 1489 C LEU A 191 4.100 3.463 24.687 1.00 8.89 C +ANISOU 1489 C LEU A 191 949 1048 1382 215 -182 211 C +ATOM 1490 O LEU A 191 5.147 4.133 24.657 1.00 10.55 O +ANISOU 1490 O LEU A 191 1242 1180 1586 -66 -81 189 O +ATOM 1491 CB LEU A 191 4.112 2.917 27.142 1.00 9.63 C +ANISOU 1491 CB LEU A 191 1043 1238 1377 137 -119 279 C +ATOM 1492 CG LEU A 191 3.485 3.035 28.520 1.00 9.73 C +ANISOU 1492 CG LEU A 191 1172 1046 1480 186 -43 134 C +ATOM 1493 CD1 LEU A 191 4.520 2.626 29.568 1.00 10.78 C +ANISOU 1493 CD1 LEU A 191 1389 1262 1445 67 -390 26 C +ATOM 1494 CD2 LEU A 191 2.971 4.449 28.826 1.00 12.79 C +ANISOU 1494 CD2 LEU A 191 1732 1205 1922 453 -244 -65 C +ATOM 1495 N ASN A 192 3.631 2.794 23.619 1.00 9.46 N +ANISOU 1495 N ASN A 192 1171 1025 1397 7 -129 220 N +ATOM 1496 CA ASN A 192 4.362 2.739 22.359 1.00 10.12 C +ANISOU 1496 CA ASN A 192 1266 1183 1395 294 -160 229 C +ATOM 1497 C ASN A 192 5.789 2.250 22.550 1.00 9.46 C +ANISOU 1497 C ASN A 192 1146 1151 1300 184 -130 332 C +ATOM 1498 O ASN A 192 6.775 2.835 22.011 1.00 9.92 O +ANISOU 1498 O ASN A 192 1283 1089 1396 3 -104 261 O +ATOM 1499 CB ASN A 192 4.351 4.132 21.688 1.00 12.47 C +ANISOU 1499 CB ASN A 192 1727 1515 1494 644 93 553 C +ATOM 1500 CG ASN A 192 4.767 4.019 20.216 1.00 15.72 C +ANISOU 1500 CG ASN A 192 1894 2298 1781 1001 384 830 C +ATOM 1501 OD1 ASN A 192 5.378 4.958 19.670 1.00 26.18 O +ANISOU 1501 OD1 ASN A 192 3829 3600 2518 213 788 1732 O +ATOM 1502 ND2 ASN A 192 4.445 2.945 19.519 1.00 19.50 N +ANISOU 1502 ND2 ASN A 192 3546 2582 1282 1614 -56 460 N +ATOM 1503 N LEU A 193 5.964 1.149 23.257 1.00 8.31 N +ANISOU 1503 N LEU A 193 954 1060 1143 74 -64 188 N +ATOM 1504 CA LEU A 193 7.303 0.584 23.518 1.00 9.01 C +ANISOU 1504 CA LEU A 193 1065 1184 1174 237 -215 114 C +ATOM 1505 C LEU A 193 7.708 -0.312 22.348 1.00 8.50 C +ANISOU 1505 C LEU A 193 991 955 1284 171 -26 253 C +ATOM 1506 O LEU A 193 7.601 -1.531 22.397 1.00 9.99 O +ANISOU 1506 O LEU A 193 1250 1000 1546 105 -148 167 O +ATOM 1507 CB LEU A 193 7.284 -0.198 24.843 1.00 8.62 C +ANISOU 1507 CB LEU A 193 1044 899 1332 69 -152 201 C +ATOM 1508 CG LEU A 193 6.852 0.574 26.081 1.00 8.39 C +ANISOU 1508 CG LEU A 193 882 1031 1274 9 -129 156 C +ATOM 1509 CD1 LEU A 193 7.073 -0.280 27.348 1.00 9.77 C +ANISOU 1509 CD1 LEU A 193 1197 1207 1307 -368 -227 278 C +ATOM 1510 CD2 LEU A 193 7.580 1.880 26.231 1.00 9.02 C +ANISOU 1510 CD2 LEU A 193 1088 1057 1283 -158 -117 243 C +ATOM 1511 N THR A 194 8.179 0.290 21.271 1.00 9.45 N +ANISOU 1511 N THR A 194 1058 1355 1177 133 -114 269 N +ATOM 1512 CA THR A 194 8.420 -0.383 19.996 1.00 10.82 C +ANISOU 1512 CA THR A 194 1546 1397 1166 375 -120 301 C +ATOM 1513 C THR A 194 9.625 -1.290 20.029 1.00 10.04 C +ANISOU 1513 C THR A 194 1345 1320 1151 211 -57 204 C +ATOM 1514 O THR A 194 9.792 -2.094 19.080 1.00 13.00 O +ANISOU 1514 O THR A 194 1727 1695 1516 363 -361 -354 O +ATOM 1515 CB THR A 194 8.617 0.664 18.842 1.00 14.16 C +ANISOU 1515 CB THR A 194 1826 2207 1348 639 135 718 C +ATOM 1516 OG1 THR A 194 9.846 1.375 19.026 1.00 16.27 O +ANISOU 1516 OG1 THR A 194 2717 1744 1719 -21 632 303 O +ATOM 1517 CG2 THR A 194 7.490 1.643 18.807 1.00 18.29 C +ANISOU 1517 CG2 THR A 194 3086 1930 1932 1155 189 827 C +ATOM 1518 N ASP A 195 10.460 -1.213 21.070 1.00 8.01 N +ANISOU 1518 N ASP A 195 1089 803 1152 -95 42 131 N +ATOM 1519 CA ASP A 195 11.582 -2.126 21.224 1.00 8.36 C +ANISOU 1519 CA ASP A 195 854 1075 1248 -59 56 162 C +ATOM 1520 C ASP A 195 11.370 -3.218 22.275 1.00 7.59 C +ANISOU 1520 C ASP A 195 833 998 1052 -7 -1 53 C +ATOM 1521 O ASP A 195 12.315 -3.906 22.628 1.00 9.20 O +ANISOU 1521 O ASP A 195 902 1432 1160 170 -1 217 O +ATOM 1522 CB ASP A 195 12.849 -1.403 21.676 1.00 9.95 C +ANISOU 1522 CB ASP A 195 1086 1117 1578 -258 166 11 C +ATOM 1523 CG ASP A 195 13.394 -0.371 20.738 1.00 11.91 C +ANISOU 1523 CG ASP A 195 1551 1255 1719 -380 -167 384 C +ATOM 1524 OD1 ASP A 195 13.432 -0.714 19.548 1.00 17.70 O +ANISOU 1524 OD1 ASP A 195 2731 2525 1469 -1520 -195 461 O +ATOM 1525 OD2 ASP A 195 13.803 0.721 21.254 1.00 12.53 O +ANISOU 1525 OD2 ASP A 195 1614 1185 1964 -263 -134 302 O +ATOM 1526 N THR A 196 10.128 -3.323 22.741 1.00 7.41 N +ANISOU 1526 N THR A 196 880 813 1124 -60 -20 90 N +ATOM 1527 CA THR A 196 9.867 -4.167 23.902 1.00 7.05 C +ANISOU 1527 CA THR A 196 641 842 1194 -31 -84 146 C +ATOM 1528 C THR A 196 8.998 -5.344 23.494 1.00 7.19 C +ANISOU 1528 C THR A 196 739 809 1183 -41 -86 68 C +ATOM 1529 O THR A 196 8.000 -5.180 22.795 1.00 8.32 O +ANISOU 1529 O THR A 196 810 946 1406 -96 -245 210 O +ATOM 1530 CB THR A 196 9.235 -3.334 25.025 1.00 7.50 C +ANISOU 1530 CB THR A 196 884 868 1097 -98 -97 79 C +ATOM 1531 OG1 THR A 196 10.105 -2.267 25.372 1.00 7.20 O +ANISOU 1531 OG1 THR A 196 853 799 1083 -16 -41 85 O +ATOM 1532 CG2 THR A 196 8.958 -4.150 26.275 1.00 7.92 C +ANISOU 1532 CG2 THR A 196 930 874 1203 60 -41 262 C +ATOM 1533 N PHE A 197 9.413 -6.540 23.932 1.00 7.00 N +ANISOU 1533 N PHE A 197 753 845 1063 -48 -115 31 N +ATOM 1534 CA PHE A 197 8.792 -7.775 23.487 1.00 7.37 C +ANISOU 1534 CA PHE A 197 941 746 1112 23 -39 93 C +ATOM 1535 C PHE A 197 8.780 -8.795 24.613 1.00 6.62 C +ANISOU 1535 C PHE A 197 629 786 1101 9 -75 24 C +ATOM 1536 O PHE A 197 9.614 -8.795 25.526 1.00 8.19 O +ANISOU 1536 O PHE A 197 903 1023 1187 7 -255 68 O +ATOM 1537 CB PHE A 197 9.605 -8.418 22.346 1.00 7.91 C +ANISOU 1537 CB PHE A 197 1032 858 1117 -10 -43 124 C +ATOM 1538 CG PHE A 197 9.821 -7.493 21.156 1.00 7.55 C +ANISOU 1538 CG PHE A 197 880 970 1018 -3 14 -15 C +ATOM 1539 CD1 PHE A 197 10.893 -6.616 21.135 1.00 9.01 C +ANISOU 1539 CD1 PHE A 197 1200 974 1250 -108 206 72 C +ATOM 1540 CD2 PHE A 197 8.930 -7.511 20.108 1.00 11.01 C +ANISOU 1540 CD2 PHE A 197 1264 1740 1180 -43 -157 213 C +ATOM 1541 CE1 PHE A 197 11.058 -5.750 20.059 1.00 10.27 C +ANISOU 1541 CE1 PHE A 197 1695 1077 1132 -134 146 100 C +ATOM 1542 CE2 PHE A 197 9.080 -6.663 19.016 1.00 12.97 C +ANISOU 1542 CE2 PHE A 197 1100 2461 1369 66 -64 623 C +ATOM 1543 CZ PHE A 197 10.148 -5.784 19.009 1.00 11.71 C +ANISOU 1543 CZ PHE A 197 1390 1796 1265 119 203 175 C +ATOM 1544 N TYR A 198 7.863 -9.718 24.484 1.00 7.62 N +ANISOU 1544 N TYR A 198 738 819 1340 -36 -122 183 N +ATOM 1545 CA TYR A 198 7.805 -10.938 25.305 1.00 7.15 C +ANISOU 1545 CA TYR A 198 755 780 1179 -94 -77 96 C +ATOM 1546 C TYR A 198 7.492 -12.071 24.313 1.00 7.49 C +ANISOU 1546 C TYR A 198 776 810 1260 -100 -102 86 C +ATOM 1547 O TYR A 198 6.378 -12.160 23.837 1.00 9.63 O +ANISOU 1547 O TYR A 198 823 1290 1547 -133 -210 -184 O +ATOM 1548 CB TYR A 198 6.810 -10.831 26.425 1.00 7.77 C +ANISOU 1548 CB TYR A 198 717 894 1341 59 6 167 C +ATOM 1549 CG TYR A 198 6.850 -11.979 27.392 1.00 7.58 C +ANISOU 1549 CG TYR A 198 800 928 1151 98 82 100 C +ATOM 1550 CD1 TYR A 198 6.110 -13.151 27.186 1.00 8.46 C +ANISOU 1550 CD1 TYR A 198 969 1049 1198 -101 26 132 C +ATOM 1551 CD2 TYR A 198 7.594 -11.901 28.578 1.00 7.59 C +ANISOU 1551 CD2 TYR A 198 910 763 1209 85 16 21 C +ATOM 1552 CE1 TYR A 198 6.170 -14.196 28.099 1.00 8.03 C +ANISOU 1552 CE1 TYR A 198 824 1003 1223 -17 -32 79 C +ATOM 1553 CE2 TYR A 198 7.632 -12.916 29.501 1.00 7.91 C +ANISOU 1553 CE2 TYR A 198 856 951 1198 -20 -57 79 C +ATOM 1554 CZ TYR A 198 6.906 -14.059 29.249 1.00 7.85 C +ANISOU 1554 CZ TYR A 198 778 894 1310 51 -78 191 C +ATOM 1555 OH TYR A 198 6.970 -15.055 30.181 1.00 9.30 O +ANISOU 1555 OH TYR A 198 1054 1093 1387 -49 -91 339 O +ATOM 1556 N VAL A 199 8.518 -12.824 23.989 1.00 8.11 N +ANISOU 1556 N VAL A 199 895 1012 1174 -1 -163 -98 N +ATOM 1557 CA VAL A 199 8.432 -13.796 22.891 1.00 8.22 C +ANISOU 1557 CA VAL A 199 899 1011 1212 188 -197 -90 C +ATOM 1558 C VAL A 199 8.558 -15.223 23.361 1.00 7.92 C +ANISOU 1558 C VAL A 199 755 1047 1207 60 -104 -65 C +ATOM 1559 O VAL A 199 8.548 -16.120 22.516 1.00 8.30 O +ANISOU 1559 O VAL A 199 875 1035 1242 17 -129 -12 O +ATOM 1560 CB VAL A 199 9.491 -13.503 21.795 1.00 9.17 C +ANISOU 1560 CB VAL A 199 1183 855 1446 160 49 67 C +ATOM 1561 CG1 VAL A 199 9.253 -12.099 21.206 1.00 12.58 C +ANISOU 1561 CG1 VAL A 199 2465 996 1317 103 -275 159 C +ATOM 1562 CG2 VAL A 199 10.893 -13.728 22.307 1.00 9.40 C +ANISOU 1562 CG2 VAL A 199 1055 1048 1468 -280 -14 -40 C +ATOM 1563 N HIS A 200 8.654 -15.443 24.670 1.00 8.84 N +ANISOU 1563 N HIS A 200 1094 1033 1231 111 -195 2 N +ATOM 1564 CA HIS A 200 8.805 -16.784 25.232 1.00 8.62 C +ANISOU 1564 CA HIS A 200 1009 945 1321 75 -17 -25 C +ATOM 1565 C HIS A 200 7.880 -17.791 24.552 1.00 8.75 C +ANISOU 1565 C HIS A 200 903 1098 1321 60 -117 84 C +ATOM 1566 O HIS A 200 6.668 -17.528 24.436 1.00 10.53 O +ANISOU 1566 O HIS A 200 835 1391 1775 -40 78 -3 O +ATOM 1567 CB HIS A 200 8.552 -16.725 26.751 1.00 10.58 C +ANISOU 1567 CB HIS A 200 1441 1275 1303 85 -6 77 C +ATOM 1568 CG HIS A 200 8.345 -18.088 27.351 1.00 9.54 C +ANISOU 1568 CG HIS A 200 1143 1266 1216 173 106 31 C +ATOM 1569 ND1 HIS A 200 9.297 -18.931 27.828 1.00 10.80 N +ANISOU 1569 ND1 HIS A 200 1205 1199 1698 -61 -127 191 N +ATOM 1570 CD2 HIS A 200 7.182 -18.772 27.525 1.00 9.62 C +ANISOU 1570 CD2 HIS A 200 1001 1478 1175 148 125 200 C +ATOM 1571 CE1 HIS A 200 8.672 -20.052 28.255 1.00 7.90 C +ANISOU 1571 CE1 HIS A 200 878 1016 1108 4 8 -45 C +ATOM 1572 NE2 HIS A 200 7.383 -19.956 28.065 1.00 12.84 N +ANISOU 1572 NE2 HIS A 200 1168 1726 1987 -23 -274 543 N +ATOM 1573 N PRO A 201 8.353 -18.977 24.210 1.00 9.33 N +ANISOU 1573 N PRO A 201 875 942 1727 -137 -11 58 N +ATOM 1574 CA PRO A 201 9.719 -19.495 24.439 1.00 9.50 C +ANISOU 1574 CA PRO A 201 828 928 1854 -71 164 336 C +ATOM 1575 C PRO A 201 10.659 -19.303 23.269 1.00 7.95 C +ANISOU 1575 C PRO A 201 850 809 1361 -23 -101 -121 C +ATOM 1576 O PRO A 201 11.681 -19.995 23.176 1.00 8.66 O +ANISOU 1576 O PRO A 201 1006 1002 1284 202 4 3 O +ATOM 1577 CB PRO A 201 9.472 -21.021 24.621 1.00 11.24 C +ANISOU 1577 CB PRO A 201 1613 843 1815 -7 254 36 C +ATOM 1578 CG PRO A 201 8.364 -21.270 23.623 1.00 12.86 C +ANISOU 1578 CG PRO A 201 1272 1214 2399 -231 401 -475 C +ATOM 1579 CD PRO A 201 7.465 -20.057 23.671 1.00 11.72 C +ANISOU 1579 CD PRO A 201 1169 1118 2167 -376 57 -119 C +ATOM 1580 N ASP A 202 10.373 -18.363 22.354 1.00 7.79 N +ANISOU 1580 N ASP A 202 783 913 1263 -45 -110 -104 N +ATOM 1581 CA ASP A 202 11.324 -18.130 21.266 1.00 7.77 C +ANISOU 1581 CA ASP A 202 806 898 1248 -7 -48 -194 C +ATOM 1582 C ASP A 202 12.661 -17.656 21.809 1.00 7.42 C +ANISOU 1582 C ASP A 202 801 891 1125 -29 -56 -66 C +ATOM 1583 O ASP A 202 12.719 -16.908 22.769 1.00 7.90 O +ANISOU 1583 O ASP A 202 815 997 1190 -71 23 -155 O +ATOM 1584 CB ASP A 202 10.713 -17.064 20.326 1.00 9.59 C +ANISOU 1584 CB ASP A 202 1019 1299 1326 -87 -301 46 C +ATOM 1585 CG ASP A 202 11.406 -16.892 18.996 1.00 11.11 C +ANISOU 1585 CG ASP A 202 1263 1643 1316 -141 -332 30 C +ATOM 1586 OD1 ASP A 202 12.420 -17.546 18.689 1.00 13.81 O +ANISOU 1586 OD1 ASP A 202 1305 2559 1382 117 -204 -78 O +ATOM 1587 OD2 ASP A 202 10.910 -16.003 18.225 1.00 14.29 O +ANISOU 1587 OD2 ASP A 202 1763 2063 1602 -187 -380 506 O +ATOM 1588 N THR A 203 13.719 -18.085 21.159 1.00 7.58 N +ANISOU 1588 N THR A 203 741 1108 1031 -92 -82 -88 N +ATOM 1589 CA THR A 203 15.097 -17.787 21.554 1.00 7.49 C +ANISOU 1589 CA THR A 203 690 798 1358 -31 -98 -9 C +ATOM 1590 C THR A 203 15.696 -16.628 20.783 1.00 7.07 C +ANISOU 1590 C THR A 203 799 815 1071 57 -4 -148 C +ATOM 1591 O THR A 203 16.774 -16.161 21.169 1.00 8.17 O +ANISOU 1591 O THR A 203 798 1025 1279 -40 -47 -67 O +ATOM 1592 CB THR A 203 15.954 -19.041 21.314 1.00 8.13 C +ANISOU 1592 CB THR A 203 1082 787 1220 37 -94 -88 C +ATOM 1593 OG1 THR A 203 15.785 -19.491 19.953 1.00 8.89 O +ANISOU 1593 OG1 THR A 203 1127 1017 1235 -110 -178 -179 O +ATOM 1594 CG2 THR A 203 15.566 -20.233 22.227 1.00 8.59 C +ANISOU 1594 CG2 THR A 203 1061 840 1363 -31 -221 102 C +ATOM 1595 N VAL A 204 15.058 -16.169 19.708 1.00 7.95 N +ANISOU 1595 N VAL A 204 1042 920 1060 -123 -133 -72 N +ATOM 1596 CA VAL A 204 15.540 -15.056 18.907 1.00 8.20 C +ANISOU 1596 CA VAL A 204 1023 1008 1084 -65 7 -35 C +ATOM 1597 C VAL A 204 15.204 -13.722 19.583 1.00 8.17 C +ANISOU 1597 C VAL A 204 1152 954 998 -181 162 44 C +ATOM 1598 O VAL A 204 14.085 -13.530 20.086 1.00 8.54 O +ANISOU 1598 O VAL A 204 992 940 1315 -30 -13 35 O +ATOM 1599 CB VAL A 204 14.868 -15.126 17.514 1.00 9.29 C +ANISOU 1599 CB VAL A 204 1437 1064 1028 134 -91 -44 C +ATOM 1600 CG1 VAL A 204 15.124 -13.860 16.743 1.00 12.35 C +ANISOU 1600 CG1 VAL A 204 2055 1347 1289 -180 -160 204 C +ATOM 1601 CG2 VAL A 204 15.390 -16.369 16.783 1.00 11.35 C +ANISOU 1601 CG2 VAL A 204 1766 1357 1188 136 27 -239 C +ATOM 1602 N ILE A 205 16.194 -12.827 19.591 1.00 7.82 N +ANISOU 1602 N ILE A 205 931 857 1184 27 -22 45 N +ATOM 1603 CA ILE A 205 15.881 -11.428 19.982 1.00 8.13 C +ANISOU 1603 CA ILE A 205 999 815 1274 95 -22 103 C +ATOM 1604 C ILE A 205 15.552 -10.635 18.737 1.00 8.09 C +ANISOU 1604 C ILE A 205 1037 836 1199 48 -38 37 C +ATOM 1605 O ILE A 205 16.390 -10.500 17.850 1.00 8.95 O +ANISOU 1605 O ILE A 205 1162 1032 1208 -44 47 116 O +ATOM 1606 CB ILE A 205 17.020 -10.786 20.789 1.00 8.36 C +ANISOU 1606 CB ILE A 205 955 948 1273 86 -12 46 C +ATOM 1607 CG1 ILE A 205 17.408 -11.619 22.010 1.00 8.33 C +ANISOU 1607 CG1 ILE A 205 1197 897 1071 -97 -73 22 C +ATOM 1608 CG2 ILE A 205 16.710 -9.331 21.121 1.00 8.64 C +ANISOU 1608 CG2 ILE A 205 915 970 1398 130 174 -8 C +ATOM 1609 CD1 ILE A 205 18.597 -11.099 22.796 1.00 8.89 C +ANISOU 1609 CD1 ILE A 205 946 1109 1323 -29 -37 -90 C +ATOM 1610 N PRO A 206 14.320 -10.118 18.618 1.00 9.11 N +ANISOU 1610 N PRO A 206 1129 1021 1311 137 -63 208 N +ATOM 1611 CA PRO A 206 13.987 -9.420 17.362 1.00 10.64 C +ANISOU 1611 CA PRO A 206 1328 1206 1508 27 -257 285 C +ATOM 1612 C PRO A 206 14.824 -8.169 17.169 1.00 9.77 C +ANISOU 1612 C PRO A 206 1270 1059 1383 215 -150 285 C +ATOM 1613 O PRO A 206 15.063 -7.407 18.069 1.00 10.95 O +ANISOU 1613 O PRO A 206 1563 1126 1473 97 -61 73 O +ATOM 1614 CB PRO A 206 12.531 -9.003 17.555 1.00 14.93 C +ANISOU 1614 CB PRO A 206 1204 2048 2420 135 -244 963 C +ATOM 1615 CG PRO A 206 12.052 -9.627 18.767 1.00 13.75 C +ANISOU 1615 CG PRO A 206 1417 2385 1421 648 -162 191 C +ATOM 1616 CD PRO A 206 13.206 -10.130 19.547 1.00 9.95 C +ANISOU 1616 CD PRO A 206 971 1181 1627 55 -59 201 C +ATOM 1617 N GLY A 207 15.232 -7.950 15.913 1.00 10.99 N +ANISOU 1617 N GLY A 207 1382 1434 1361 79 -283 388 N +ATOM 1618 CA GLY A 207 15.946 -6.748 15.549 1.00 11.08 C +ANISOU 1618 CA GLY A 207 1443 1484 1283 -4 -135 318 C +ATOM 1619 C GLY A 207 17.364 -6.737 16.047 1.00 10.23 C +ANISOU 1619 C GLY A 207 1632 1232 1022 -88 -322 138 C +ATOM 1620 O GLY A 207 17.926 -7.718 16.578 1.00 12.00 O +ANISOU 1620 O GLY A 207 1328 1390 1840 22 -314 322 O +ATOM 1621 N THR A 208 18.024 -5.595 15.865 1.00 9.48 N +ANISOU 1621 N THR A 208 1316 1167 1121 109 -153 53 N +ATOM 1622 CA THR A 208 19.428 -5.422 16.266 1.00 9.42 C +ANISOU 1622 CA THR A 208 1427 1149 1002 28 -160 -42 C +ATOM 1623 C THR A 208 19.538 -5.441 17.775 1.00 7.69 C +ANISOU 1623 C THR A 208 1036 915 970 -70 56 112 C +ATOM 1624 O THR A 208 18.818 -4.711 18.489 1.00 8.28 O +ANISOU 1624 O THR A 208 1167 941 1038 114 -10 62 O +ATOM 1625 CB THR A 208 19.902 -4.083 15.674 1.00 10.47 C +ANISOU 1625 CB THR A 208 1517 1474 987 -32 51 351 C +ATOM 1626 OG1 THR A 208 19.769 -4.204 14.250 1.00 14.43 O +ANISOU 1626 OG1 THR A 208 2174 2209 1099 -198 -212 303 O +ATOM 1627 CG2 THR A 208 21.366 -3.880 16.011 1.00 11.62 C +ANISOU 1627 CG2 THR A 208 1624 1226 1566 -155 -138 208 C +ATOM 1628 N HIS A 209 20.447 -6.255 18.277 1.00 7.87 N +ANISOU 1628 N HIS A 209 1077 960 954 -15 -109 -46 N +ATOM 1629 CA HIS A 209 20.547 -6.482 19.687 1.00 7.13 C +ANISOU 1629 CA HIS A 209 936 871 902 3 33 21 C +ATOM 1630 C HIS A 209 21.972 -6.634 20.142 1.00 7.50 C +ANISOU 1630 C HIS A 209 917 910 1022 22 -13 42 C +ATOM 1631 O HIS A 209 22.850 -6.958 19.328 1.00 8.33 O +ANISOU 1631 O HIS A 209 937 974 1254 61 196 -49 O +ATOM 1632 CB HIS A 209 19.742 -7.686 20.121 1.00 7.95 C +ANISOU 1632 CB HIS A 209 1001 799 1222 13 -61 37 C +ATOM 1633 CG HIS A 209 20.070 -8.958 19.402 1.00 7.67 C +ANISOU 1633 CG HIS A 209 966 887 1061 -84 63 36 C +ATOM 1634 ND1 HIS A 209 19.453 -9.303 18.204 1.00 9.36 N +ANISOU 1634 ND1 HIS A 209 1314 1005 1236 9 -166 -84 N +ATOM 1635 CD2 HIS A 209 20.929 -9.952 19.687 1.00 8.30 C +ANISOU 1635 CD2 HIS A 209 1110 765 1278 -2 -44 -87 C +ATOM 1636 CE1 HIS A 209 19.922 -10.469 17.840 1.00 8.94 C +ANISOU 1636 CE1 HIS A 209 1299 849 1248 -94 -44 20 C +ATOM 1637 NE2 HIS A 209 20.835 -10.902 18.706 1.00 9.95 N +ANISOU 1637 NE2 HIS A 209 1560 1157 1063 252 -47 -113 N +ATOM 1638 N ALA A 210 22.188 -6.356 21.426 1.00 6.82 N +ANISOU 1638 N ALA A 210 880 747 962 16 -7 89 N +ATOM 1639 CA ALA A 210 23.441 -6.731 22.061 1.00 7.03 C +ANISOU 1639 CA ALA A 210 828 781 1061 41 -53 22 C +ATOM 1640 C ALA A 210 23.425 -8.242 22.292 1.00 6.80 C +ANISOU 1640 C ALA A 210 794 737 1052 35 -6 86 C +ATOM 1641 O ALA A 210 22.410 -8.764 22.756 1.00 7.75 O +ANISOU 1641 O ALA A 210 877 888 1179 -35 67 63 O +ATOM 1642 CB ALA A 210 23.635 -6.014 23.394 1.00 8.36 C +ANISOU 1642 CB ALA A 210 1143 825 1208 -89 -153 -129 C +ATOM 1643 N ASN A 211 24.524 -8.934 21.979 1.00 6.95 N +ANISOU 1643 N ASN A 211 750 820 1070 37 -43 45 N +ATOM 1644 CA ASN A 211 24.673 -10.309 22.394 1.00 6.81 C +ANISOU 1644 CA ASN A 211 836 773 977 51 -78 3 C +ATOM 1645 C ASN A 211 25.020 -10.289 23.871 1.00 6.50 C +ANISOU 1645 C ASN A 211 653 783 1035 37 -104 12 C +ATOM 1646 O ASN A 211 25.606 -9.334 24.379 1.00 8.47 O +ANISOU 1646 O ASN A 211 1250 826 1143 -265 -26 -82 O +ATOM 1647 CB ASN A 211 25.750 -10.995 21.566 1.00 8.27 C +ANISOU 1647 CB ASN A 211 1054 1033 1056 242 -19 -24 C +ATOM 1648 CG ASN A 211 25.252 -11.371 20.196 1.00 9.69 C +ANISOU 1648 CG ASN A 211 1153 1366 1162 199 -107 -239 C +ATOM 1649 OD1 ASN A 211 24.279 -10.873 19.663 1.00 11.68 O +ANISOU 1649 OD1 ASN A 211 1931 1193 1315 420 -467 -74 O +ATOM 1650 ND2 ASN A 211 25.845 -12.368 19.568 1.00 20.21 N +ANISOU 1650 ND2 ASN A 211 2408 3824 1445 1966 -558 -1140 N +ATOM 1651 N GLY A 212 24.672 -11.392 24.536 1.00 6.80 N +ANISOU 1651 N GLY A 212 926 696 961 -32 -50 -42 N +ATOM 1652 CA GLY A 212 25.039 -11.547 25.957 1.00 7.29 C +ANISOU 1652 CA GLY A 212 944 857 971 58 -111 19 C +ATOM 1653 C GLY A 212 26.184 -12.494 26.118 1.00 6.55 C +ANISOU 1653 C GLY A 212 774 576 1138 -216 -85 31 C +ATOM 1654 O GLY A 212 26.266 -13.527 25.399 1.00 7.11 O +ANISOU 1654 O GLY A 212 835 619 1249 -49 -163 -74 O +ATOM 1655 N TYR A 213 27.064 -12.214 27.055 1.00 6.13 N +ANISOU 1655 N TYR A 213 683 668 977 -19 -18 -72 N +ATOM 1656 CA TYR A 213 28.263 -13.019 27.260 1.00 6.63 C +ANISOU 1656 CA TYR A 213 829 701 989 75 -8 -46 C +ATOM 1657 C TYR A 213 28.352 -13.430 28.713 1.00 6.50 C +ANISOU 1657 C TYR A 213 652 729 1087 138 -57 -70 C +ATOM 1658 O TYR A 213 28.571 -12.622 29.624 1.00 7.92 O +ANISOU 1658 O TYR A 213 1047 847 1114 -47 -90 -87 O +ATOM 1659 CB TYR A 213 29.509 -12.247 26.799 1.00 7.58 C +ANISOU 1659 CB TYR A 213 693 930 1256 -3 -31 -118 C +ATOM 1660 CG TYR A 213 29.437 -12.072 25.288 1.00 7.52 C +ANISOU 1660 CG TYR A 213 678 881 1296 86 142 39 C +ATOM 1661 CD1 TYR A 213 29.726 -13.149 24.470 1.00 7.84 C +ANISOU 1661 CD1 TYR A 213 881 881 1216 81 192 27 C +ATOM 1662 CD2 TYR A 213 29.053 -10.865 24.727 1.00 7.74 C +ANISOU 1662 CD2 TYR A 213 860 790 1290 37 84 -42 C +ATOM 1663 CE1 TYR A 213 29.650 -13.027 23.090 1.00 7.82 C +ANISOU 1663 CE1 TYR A 213 1007 737 1228 -81 183 88 C +ATOM 1664 CE2 TYR A 213 28.955 -10.724 23.339 1.00 7.93 C +ANISOU 1664 CE2 TYR A 213 880 868 1266 -59 127 -71 C +ATOM 1665 CZ TYR A 213 29.247 -11.820 22.538 1.00 7.68 C +ANISOU 1665 CZ TYR A 213 838 884 1196 309 138 -35 C +ATOM 1666 OH TYR A 213 29.176 -11.638 21.166 1.00 8.19 O +ANISOU 1666 OH TYR A 213 1063 842 1208 95 129 72 O +ATOM 1667 N LEU A 214 28.122 -14.707 28.946 1.00 6.80 N +ANISOU 1667 N LEU A 214 703 845 1037 -10 -83 22 N +ATOM 1668 CA LEU A 214 28.128 -15.237 30.301 1.00 6.89 C +ANISOU 1668 CA LEU A 214 832 759 1027 -67 -196 10 C +ATOM 1669 C LEU A 214 29.561 -15.506 30.714 1.00 6.55 C +ANISOU 1669 C LEU A 214 736 876 877 1 98 44 C +ATOM 1670 O LEU A 214 30.322 -16.196 30.044 1.00 7.67 O +ANISOU 1670 O LEU A 214 908 897 1108 61 -14 -158 O +ATOM 1671 CB LEU A 214 27.302 -16.529 30.289 1.00 7.27 C +ANISOU 1671 CB LEU A 214 915 825 1021 -73 -83 -40 C +ATOM 1672 CG LEU A 214 27.117 -17.252 31.626 1.00 7.50 C +ANISOU 1672 CG LEU A 214 982 892 976 -202 -56 -59 C +ATOM 1673 CD1 LEU A 214 26.433 -16.341 32.638 1.00 8.39 C +ANISOU 1673 CD1 LEU A 214 1143 1015 1030 -32 180 18 C +ATOM 1674 CD2 LEU A 214 26.306 -18.540 31.364 1.00 8.83 C +ANISOU 1674 CD2 LEU A 214 1107 902 1346 -237 -82 40 C +ATOM 1675 N THR A 215 29.937 -14.945 31.879 1.00 7.31 N +ANISOU 1675 N THR A 215 754 1015 1010 52 -86 -36 N +ATOM 1676 CA THR A 215 31.270 -15.144 32.422 1.00 7.22 C +ANISOU 1676 CA THR A 215 746 892 1105 63 -91 26 C +ATOM 1677 C THR A 215 31.277 -16.511 33.131 1.00 7.41 C +ANISOU 1677 C THR A 215 764 943 1107 -16 -54 84 C +ATOM 1678 O THR A 215 30.396 -16.792 33.952 1.00 8.16 O +ANISOU 1678 O THR A 215 978 1159 965 -145 -34 -18 O +ATOM 1679 CB THR A 215 31.619 -14.063 33.430 1.00 7.70 C +ANISOU 1679 CB THR A 215 730 927 1269 -9 -143 27 C +ATOM 1680 OG1 THR A 215 31.502 -12.780 32.794 1.00 7.65 O +ANISOU 1680 OG1 THR A 215 918 825 1165 -52 -75 -48 O +ATOM 1681 CG2 THR A 215 33.066 -14.168 33.927 1.00 9.01 C +ANISOU 1681 CG2 THR A 215 832 1247 1345 -31 -258 -67 C +ATOM 1682 N PRO A 216 32.254 -17.371 32.873 1.00 8.39 N +ANISOU 1682 N PRO A 216 842 933 1411 120 -56 272 N +ATOM 1683 CA PRO A 216 32.264 -18.658 33.548 1.00 9.12 C +ANISOU 1683 CA PRO A 216 1057 883 1524 -33 -102 298 C +ATOM 1684 C PRO A 216 32.699 -18.508 35.009 1.00 10.59 C +ANISOU 1684 C PRO A 216 979 1240 1806 -195 -592 512 C +ATOM 1685 O PRO A 216 33.261 -17.489 35.400 1.00 10.03 O +ANISOU 1685 O PRO A 216 1070 1301 1440 -156 -261 453 O +ATOM 1686 CB PRO A 216 33.261 -19.482 32.717 1.00 11.85 C +ANISOU 1686 CB PRO A 216 1057 1013 2431 315 139 380 C +ATOM 1687 CG PRO A 216 34.237 -18.474 32.226 1.00 13.64 C +ANISOU 1687 CG PRO A 216 994 1229 2960 433 428 564 C +ATOM 1688 CD PRO A 216 33.350 -17.241 31.916 1.00 9.84 C +ANISOU 1688 CD PRO A 216 912 1024 1803 204 209 271 C +ATOM 1689 N ASP A 217 32.459 -19.543 35.837 1.00 12.56 N +ANISOU 1689 N ASP A 217 1307 1653 1813 -690 -671 726 N +ATOM 1690 CA ASP A 217 32.874 -19.470 37.242 1.00 12.93 C +ANISOU 1690 CA ASP A 217 1554 1499 1860 -677 -677 618 C +ATOM 1691 C ASP A 217 34.380 -19.521 37.363 1.00 14.89 C +ANISOU 1691 C ASP A 217 1564 1654 2437 -701 -927 845 C +ATOM 1692 O ASP A 217 34.924 -19.054 38.364 1.00 17.75 O +ANISOU 1692 O ASP A 217 1934 1948 2864 -639 -1306 545 O +ATOM 1693 CB ASP A 217 32.258 -20.642 37.971 1.00 15.98 C +ANISOU 1693 CB ASP A 217 1656 2176 2242 -850 -866 1234 C +ATOM 1694 CG ASP A 217 30.750 -20.469 38.181 1.00 15.47 C +ANISOU 1694 CG ASP A 217 1693 1964 2221 -887 -599 1165 C +ATOM 1695 OD1 ASP A 217 30.302 -19.322 38.194 1.00 13.60 O +ANISOU 1695 OD1 ASP A 217 1663 1900 1604 -999 -751 714 O +ATOM 1696 OD2 ASP A 217 30.100 -21.526 38.312 1.00 15.46 O +ANISOU 1696 OD2 ASP A 217 1794 1862 2218 -956 -818 851 O +ATOM 1697 N GLU A 218 35.093 -20.062 36.382 1.00 14.97 N +ANISOU 1697 N GLU A 218 1289 1699 2698 -604 -812 948 N +ATOM 1698 CA GLU A 218 36.548 -20.117 36.497 1.00 18.43 C +ANISOU 1698 CA GLU A 218 1260 2064 3680 -657 -928 1288 C +ATOM 1699 C GLU A 218 37.141 -18.786 36.079 1.00 15.55 C +ANISOU 1699 C GLU A 218 1477 2061 2370 -847 -872 816 C +ATOM 1700 O GLU A 218 36.879 -18.315 34.952 1.00 12.87 O +ANISOU 1700 O GLU A 218 1066 1927 1898 -581 -331 384 O +ATOM 1701 CB GLU A 218 37.022 -21.253 35.600 1.00 23.27 C +ANISOU 1701 CB GLU A 218 1322 1850 5670 -268 -585 977 C +ATOM 1702 CG GLU A 218 36.492 -22.631 35.985 1.00 25.15 C +ANISOU 1702 CG GLU A 218 2236 1925 5393 -456 -1707 1497 C +ATOM 1703 CD GLU A 218 35.113 -22.886 35.403 1.00 27.03 C +ANISOU 1703 CD GLU A 218 2241 1924 6105 -669 -1893 1563 C +ATOM 1704 OE1 GLU A 218 34.489 -23.910 35.792 1.00 42.76 O +ANISOU 1704 OE1 GLU A 218 3669 3071 9507 -1847 -3225 3269 O +ATOM 1705 OE2 GLU A 218 34.522 -22.166 34.557 1.00 17.78 O +ANISOU 1705 OE2 GLU A 218 1667 1985 3103 -121 -604 283 O +ATOM 1706 N ALA A 219 37.885 -18.155 36.985 1.00 15.43 N +ANISOU 1706 N ALA A 219 1456 2245 2160 -726 -829 931 N +ATOM 1707 CA ALA A 219 38.444 -16.841 36.659 1.00 15.11 C +ANISOU 1707 CA ALA A 219 1726 2380 1637 -1089 -606 580 C +ATOM 1708 C ALA A 219 39.280 -16.975 35.411 1.00 13.54 C +ANISOU 1708 C ALA A 219 1431 1849 1864 -648 -692 478 C +ATOM 1709 O ALA A 219 40.023 -17.931 35.245 1.00 17.39 O +ANISOU 1709 O ALA A 219 1149 2216 3240 -386 -659 653 O +ATOM 1710 CB ALA A 219 39.291 -16.281 37.817 1.00 20.07 C +ANISOU 1710 CB ALA A 219 2894 2971 1759 -1304 -1174 618 C +ATOM 1711 N GLY A 220 39.138 -16.005 34.520 1.00 13.66 N +ANISOU 1711 N GLY A 220 1338 2087 1766 -659 -539 681 N +ATOM 1712 CA GLY A 220 39.888 -15.991 33.274 1.00 13.31 C +ANISOU 1712 CA GLY A 220 1149 1902 2006 -573 -428 528 C +ATOM 1713 C GLY A 220 39.361 -16.865 32.176 1.00 12.51 C +ANISOU 1713 C GLY A 220 1036 1633 2085 -236 -260 365 C +ATOM 1714 O GLY A 220 39.892 -16.878 31.070 1.00 15.19 O +ANISOU 1714 O GLY A 220 1087 2335 2351 -267 40 128 O +ATOM 1715 N GLY A 221 38.305 -17.617 32.404 1.00 12.52 N +ANISOU 1715 N GLY A 221 1033 1767 1956 -359 -446 446 N +ATOM 1716 CA GLY A 221 37.782 -18.536 31.414 1.00 11.33 C +ANISOU 1716 CA GLY A 221 933 1456 1915 -25 -352 371 C +ATOM 1717 C GLY A 221 37.131 -17.784 30.266 1.00 10.44 C +ANISOU 1717 C GLY A 221 943 1250 1773 184 -298 57 C +ATOM 1718 O GLY A 221 36.650 -16.660 30.387 1.00 10.47 O +ANISOU 1718 O GLY A 221 1122 1113 1743 79 -235 137 O +ATOM 1719 N ALA A 222 37.067 -18.430 29.115 1.00 9.74 N +ANISOU 1719 N ALA A 222 926 1071 1703 120 -32 180 N +ATOM 1720 CA ALA A 222 36.449 -17.888 27.909 1.00 9.44 C +ANISOU 1720 CA ALA A 222 939 1162 1485 243 70 0 C +ATOM 1721 C ALA A 222 34.970 -17.611 28.119 1.00 8.32 C +ANISOU 1721 C ALA A 222 897 898 1367 42 -76 -146 C +ATOM 1722 O ALA A 222 34.245 -18.399 28.733 1.00 9.83 O +ANISOU 1722 O ALA A 222 968 932 1835 125 0 217 O +ATOM 1723 CB ALA A 222 36.607 -18.878 26.777 1.00 11.90 C +ANISOU 1723 CB ALA A 222 1393 1135 1994 578 -174 -346 C +ATOM 1724 N LEU A 223 34.531 -16.467 27.590 1.00 7.50 N +ANISOU 1724 N LEU A 223 759 784 1306 -28 50 -132 N +ATOM 1725 CA LEU A 223 33.119 -16.096 27.690 1.00 7.73 C +ANISOU 1725 CA LEU A 223 781 863 1294 24 -109 -195 C +ATOM 1726 C LEU A 223 32.267 -16.977 26.776 1.00 6.81 C +ANISOU 1726 C LEU A 223 703 796 1086 54 22 -97 C +ATOM 1727 O LEU A 223 32.682 -17.432 25.703 1.00 8.10 O +ANISOU 1727 O LEU A 223 767 1120 1192 0 12 -248 O +ATOM 1728 CB LEU A 223 32.919 -14.641 27.284 1.00 7.52 C +ANISOU 1728 CB LEU A 223 790 856 1209 -36 -109 -179 C +ATOM 1729 CG LEU A 223 33.710 -13.644 28.122 1.00 7.41 C +ANISOU 1729 CG LEU A 223 942 812 1064 -193 14 -42 C +ATOM 1730 CD1 LEU A 223 33.371 -12.218 27.696 1.00 9.13 C +ANISOU 1730 CD1 LEU A 223 1253 727 1490 -136 -123 -89 C +ATOM 1731 CD2 LEU A 223 33.498 -13.870 29.596 1.00 10.77 C +ANISOU 1731 CD2 LEU A 223 1904 1154 1036 -83 22 -186 C +ATOM 1732 N VAL A 224 31.041 -17.210 27.261 1.00 6.81 N +ANISOU 1732 N VAL A 224 702 737 1146 61 -50 -38 N +ATOM 1733 CA VAL A 224 30.054 -18.042 26.558 1.00 6.79 C +ANISOU 1733 CA VAL A 224 715 665 1198 17 29 -46 C +ATOM 1734 C VAL A 224 28.973 -17.124 25.975 1.00 6.56 C +ANISOU 1734 C VAL A 224 690 780 1023 -38 -23 -120 C +ATOM 1735 O VAL A 224 28.392 -16.311 26.698 1.00 7.33 O +ANISOU 1735 O VAL A 224 820 869 1095 130 -46 -79 O +ATOM 1736 CB VAL A 224 29.438 -19.062 27.515 1.00 7.23 C +ANISOU 1736 CB VAL A 224 834 766 1147 -36 -17 -29 C +ATOM 1737 CG1 VAL A 224 28.288 -19.830 26.864 1.00 9.12 C +ANISOU 1737 CG1 VAL A 224 1028 1054 1383 -386 -76 149 C +ATOM 1738 CG2 VAL A 224 30.536 -20.003 28.037 1.00 8.39 C +ANISOU 1738 CG2 VAL A 224 1023 883 1283 25 -192 39 C +ATOM 1739 N ASP A 225 28.676 -17.253 24.692 1.00 6.97 N +ANISOU 1739 N ASP A 225 769 819 1063 -28 -46 -71 N +ATOM 1740 CA ASP A 225 27.576 -16.487 24.093 1.00 6.58 C +ANISOU 1740 CA ASP A 225 674 712 1114 30 12 -48 C +ATOM 1741 C ASP A 225 26.271 -17.050 24.610 1.00 6.51 C +ANISOU 1741 C ASP A 225 716 745 1013 -13 -46 -106 C +ATOM 1742 O ASP A 225 25.921 -18.216 24.385 1.00 8.18 O +ANISOU 1742 O ASP A 225 978 802 1327 -183 95 -189 O +ATOM 1743 CB ASP A 225 27.650 -16.527 22.565 1.00 7.08 C +ANISOU 1743 CB ASP A 225 774 813 1104 69 98 -62 C +ATOM 1744 CG ASP A 225 26.681 -15.595 21.893 1.00 6.61 C +ANISOU 1744 CG ASP A 225 709 620 1184 -35 74 -137 C +ATOM 1745 OD1 ASP A 225 25.547 -15.482 22.381 1.00 7.61 O +ANISOU 1745 OD1 ASP A 225 812 810 1270 75 32 19 O +ATOM 1746 OD2 ASP A 225 27.063 -14.977 20.869 1.00 10.66 O +ANISOU 1746 OD2 ASP A 225 1251 1250 1549 335 346 378 O +ATOM 1747 N SER A 226 25.538 -16.262 25.400 1.00 6.44 N +ANISOU 1747 N SER A 226 668 832 948 -49 2 -79 N +ATOM 1748 CA SER A 226 24.307 -16.711 26.033 1.00 6.52 C +ANISOU 1748 CA SER A 226 712 811 954 -126 59 5 C +ATOM 1749 C SER A 226 23.079 -15.963 25.484 1.00 6.68 C +ANISOU 1749 C SER A 226 685 736 1116 -144 -35 -96 C +ATOM 1750 O SER A 226 22.007 -16.027 26.097 1.00 7.99 O +ANISOU 1750 O SER A 226 754 1071 1210 -117 -16 -173 O +ATOM 1751 CB SER A 226 24.402 -16.555 27.552 1.00 7.16 C +ANISOU 1751 CB SER A 226 871 904 945 -219 60 -58 C +ATOM 1752 OG SER A 226 24.705 -15.220 27.919 1.00 8.55 O +ANISOU 1752 OG SER A 226 892 1039 1318 -196 71 -301 O +ATOM 1753 N THR A 227 23.239 -15.329 24.336 1.00 6.86 N +ANISOU 1753 N THR A 227 714 747 1147 23 -28 -54 N +ATOM 1754 CA THR A 227 22.215 -14.466 23.775 1.00 7.37 C +ANISOU 1754 CA THR A 227 657 949 1193 -80 -23 83 C +ATOM 1755 C THR A 227 20.874 -15.165 23.577 1.00 6.73 C +ANISOU 1755 C THR A 227 708 653 1195 -71 -15 -49 C +ATOM 1756 O THR A 227 19.837 -14.617 23.926 1.00 8.37 O +ANISOU 1756 O THR A 227 728 938 1514 -38 124 -257 O +ATOM 1757 CB THR A 227 22.665 -13.958 22.404 1.00 6.90 C +ANISOU 1757 CB THR A 227 595 863 1163 -48 -21 41 C +ATOM 1758 OG1 THR A 227 23.945 -13.337 22.542 1.00 7.12 O +ANISOU 1758 OG1 THR A 227 715 810 1179 -109 20 -53 O +ATOM 1759 CG2 THR A 227 21.664 -12.952 21.838 1.00 8.59 C +ANISOU 1759 CG2 THR A 227 948 880 1437 105 -114 82 C +ATOM 1760 N GLU A 228 20.907 -16.347 22.957 1.00 6.99 N +ANISOU 1760 N GLU A 228 714 733 1209 -112 69 -125 N +ATOM 1761 CA GLU A 228 19.678 -16.989 22.467 1.00 7.51 C +ANISOU 1761 CA GLU A 228 856 801 1197 -178 131 -177 C +ATOM 1762 C GLU A 228 19.282 -18.123 23.389 1.00 6.98 C +ANISOU 1762 C GLU A 228 690 691 1270 -136 -63 -130 C +ATOM 1763 O GLU A 228 19.957 -19.175 23.465 1.00 8.45 O +ANISOU 1763 O GLU A 228 787 781 1642 -15 87 1 O +ATOM 1764 CB GLU A 228 19.883 -17.483 21.033 1.00 7.68 C +ANISOU 1764 CB GLU A 228 950 825 1143 -98 14 -94 C +ATOM 1765 CG GLU A 228 20.060 -16.258 20.139 1.00 8.72 C +ANISOU 1765 CG GLU A 228 1341 774 1197 -44 169 -120 C +ATOM 1766 CD GLU A 228 20.154 -16.542 18.649 1.00 8.38 C +ANISOU 1766 CD GLU A 228 1075 962 1147 -37 -147 -99 C +ATOM 1767 OE1 GLU A 228 20.100 -17.715 18.273 1.00 9.65 O +ANISOU 1767 OE1 GLU A 228 1252 1098 1318 -84 90 -353 O +ATOM 1768 OE2 GLU A 228 20.317 -15.554 17.882 1.00 10.83 O +ANISOU 1768 OE2 GLU A 228 1713 1114 1287 92 124 -31 O +ATOM 1769 N GLN A 229 18.196 -17.938 24.148 1.00 7.02 N +ANISOU 1769 N GLN A 229 678 816 1172 -57 -51 15 N +ATOM 1770 CA GLN A 229 17.720 -18.911 25.106 1.00 7.04 C +ANISOU 1770 CA GLN A 229 689 776 1211 -104 -147 76 C +ATOM 1771 C GLN A 229 16.218 -18.664 25.284 1.00 7.31 C +ANISOU 1771 C GLN A 229 749 843 1186 17 -49 97 C +ATOM 1772 O GLN A 229 15.725 -17.589 24.921 1.00 7.68 O +ANISOU 1772 O GLN A 229 751 882 1284 -50 -50 128 O +ATOM 1773 CB GLN A 229 18.416 -18.831 26.465 1.00 7.15 C +ANISOU 1773 CB GLN A 229 865 619 1235 42 -194 -13 C +ATOM 1774 CG GLN A 229 18.196 -17.497 27.182 1.00 7.56 C +ANISOU 1774 CG GLN A 229 879 705 1289 -34 -222 -13 C +ATOM 1775 CD GLN A 229 18.342 -17.640 28.678 1.00 7.88 C +ANISOU 1775 CD GLN A 229 1081 675 1238 116 -17 -29 C +ATOM 1776 OE1 GLN A 229 17.729 -18.542 29.264 1.00 11.35 O +ANISOU 1776 OE1 GLN A 229 1930 747 1635 -168 422 10 O +ATOM 1777 NE2 GLN A 229 19.099 -16.782 29.296 1.00 8.90 N +ANISOU 1777 NE2 GLN A 229 1098 1050 1235 6 -124 -187 N +ATOM 1778 N THR A 230 15.505 -19.651 25.826 1.00 7.41 N +ANISOU 1778 N THR A 230 711 953 1151 -134 -174 64 N +ATOM 1779 CA THR A 230 14.040 -19.513 25.959 1.00 7.28 C +ANISOU 1779 CA THR A 230 761 774 1229 85 61 -96 C +ATOM 1780 C THR A 230 13.684 -18.583 27.089 1.00 6.80 C +ANISOU 1780 C THR A 230 673 702 1207 -93 29 44 C +ATOM 1781 O THR A 230 12.580 -18.005 27.090 1.00 7.60 O +ANISOU 1781 O THR A 230 769 775 1343 117 56 -9 O +ATOM 1782 CB THR A 230 13.387 -20.895 26.234 1.00 7.40 C +ANISOU 1782 CB THR A 230 874 758 1178 -74 -99 -14 C +ATOM 1783 OG1 THR A 230 13.887 -21.325 27.501 1.00 8.05 O +ANISOU 1783 OG1 THR A 230 836 882 1342 -42 -67 -17 O +ATOM 1784 CG2 THR A 230 13.654 -21.928 25.131 1.00 8.17 C +ANISOU 1784 CG2 THR A 230 784 838 1482 49 -67 -185 C +ATOM 1785 N VAL A 231 14.548 -18.464 28.109 1.00 6.78 N +ANISOU 1785 N VAL A 231 784 644 1147 -71 -51 71 N +ATOM 1786 CA VAL A 231 14.226 -17.806 29.382 1.00 7.52 C +ANISOU 1786 CA VAL A 231 845 734 1279 -50 42 55 C +ATOM 1787 C VAL A 231 12.979 -18.408 30.008 1.00 7.22 C +ANISOU 1787 C VAL A 231 717 777 1250 30 -76 196 C +ATOM 1788 O VAL A 231 12.267 -17.772 30.794 1.00 7.43 O +ANISOU 1788 O VAL A 231 812 810 1201 -2 -40 130 O +ATOM 1789 CB VAL A 231 14.147 -16.263 29.290 1.00 7.76 C +ANISOU 1789 CB VAL A 231 959 740 1248 -98 66 -7 C +ATOM 1790 CG1 VAL A 231 14.514 -15.652 30.647 1.00 9.67 C +ANISOU 1790 CG1 VAL A 231 1239 961 1475 -266 -117 -153 C +ATOM 1791 CG2 VAL A 231 15.060 -15.674 28.235 1.00 9.49 C +ANISOU 1791 CG2 VAL A 231 1045 817 1745 -65 364 221 C +ATOM 1792 N SER A 232 12.708 -19.681 29.701 1.00 7.93 N +ANISOU 1792 N SER A 232 932 811 1269 -135 40 119 N +ATOM 1793 CA SER A 232 11.472 -20.329 30.207 1.00 7.87 C +ANISOU 1793 CA SER A 232 858 888 1243 -115 115 22 C +ATOM 1794 C SER A 232 11.563 -20.608 31.686 1.00 7.83 C +ANISOU 1794 C SER A 232 1032 594 1347 -134 21 182 C +ATOM 1795 O SER A 232 10.544 -20.792 32.362 1.00 8.58 O +ANISOU 1795 O SER A 232 916 1049 1295 23 89 226 O +ATOM 1796 CB SER A 232 11.243 -21.626 29.421 1.00 8.68 C +ANISOU 1796 CB SER A 232 947 867 1484 -187 142 -12 C +ATOM 1797 OG SER A 232 9.906 -22.073 29.659 1.00 8.95 O +ANISOU 1797 OG SER A 232 900 789 1713 -99 191 48 O +ATOM 1798 N TRP A 233 12.807 -20.647 32.209 1.00 8.11 N +ANISOU 1798 N TRP A 233 965 708 1409 72 -8 61 N +ATOM 1799 CA TRP A 233 13.034 -20.789 33.649 1.00 8.48 C +ANISOU 1799 CA TRP A 233 854 994 1374 191 46 174 C +ATOM 1800 C TRP A 233 12.607 -19.575 34.424 1.00 8.05 C +ANISOU 1800 C TRP A 233 828 972 1258 67 -21 175 C +ATOM 1801 O TRP A 233 12.557 -19.649 35.640 1.00 9.05 O +ANISOU 1801 O TRP A 233 1050 1184 1203 -8 9 184 O +ATOM 1802 CB TRP A 233 14.527 -21.149 33.954 1.00 9.56 C +ANISOU 1802 CB TRP A 233 907 1320 1406 189 61 257 C +ATOM 1803 CG TRP A 233 15.447 -20.105 33.407 1.00 9.94 C +ANISOU 1803 CG TRP A 233 860 1356 1561 246 154 355 C +ATOM 1804 CD1 TRP A 233 16.035 -20.102 32.171 1.00 10.46 C +ANISOU 1804 CD1 TRP A 233 1206 1098 1671 477 299 533 C +ATOM 1805 CD2 TRP A 233 15.878 -18.928 34.089 1.00 9.42 C +ANISOU 1805 CD2 TRP A 233 576 1505 1499 136 27 464 C +ATOM 1806 NE1 TRP A 233 16.785 -18.972 32.053 1.00 11.10 N +ANISOU 1806 NE1 TRP A 233 1179 1467 1571 210 332 462 N +ATOM 1807 CE2 TRP A 233 16.718 -18.234 33.211 1.00 10.38 C +ANISOU 1807 CE2 TRP A 233 818 1339 1786 288 250 442 C +ATOM 1808 CE3 TRP A 233 15.640 -18.385 35.365 1.00 9.97 C +ANISOU 1808 CE3 TRP A 233 975 1316 1497 -109 -53 441 C +ATOM 1809 CZ2 TRP A 233 17.289 -17.036 33.605 1.00 11.18 C +ANISOU 1809 CZ2 TRP A 233 833 1426 1990 153 100 435 C +ATOM 1810 CZ3 TRP A 233 16.211 -17.191 35.736 1.00 11.85 C +ANISOU 1810 CZ3 TRP A 233 1019 1523 1961 -352 9 370 C +ATOM 1811 CH2 TRP A 233 17.046 -16.512 34.843 1.00 11.42 C +ANISOU 1811 CH2 TRP A 233 1112 1452 1775 -57 34 584 C +ATOM 1812 N ALA A 234 12.340 -18.443 33.719 1.00 8.25 N +ANISOU 1812 N ALA A 234 956 941 1237 124 -6 102 N +ATOM 1813 CA ALA A 234 11.918 -17.216 34.435 1.00 8.82 C +ANISOU 1813 CA ALA A 234 878 985 1489 115 -257 -126 C +ATOM 1814 C ALA A 234 10.563 -16.698 33.973 1.00 7.55 C +ANISOU 1814 C ALA A 234 931 891 1048 96 -41 233 C +ATOM 1815 O ALA A 234 9.747 -16.296 34.868 1.00 7.80 O +ANISOU 1815 O ALA A 234 890 962 1113 134 17 203 O +ATOM 1816 CB ALA A 234 12.937 -16.106 34.215 1.00 9.01 C +ANISOU 1816 CB ALA A 234 910 1112 1402 115 -92 -96 C +ATOM 1817 N GLN A 235 10.272 -16.641 32.680 1.00 7.13 N +ANISOU 1817 N GLN A 235 765 903 1039 22 -43 95 N +ATOM 1818 CA GLN A 235 8.959 -16.187 32.181 1.00 7.02 C +ANISOU 1818 CA GLN A 235 697 802 1167 -11 2 175 C +ATOM 1819 C GLN A 235 8.575 -14.855 32.781 1.00 6.74 C +ANISOU 1819 C GLN A 235 625 876 1061 -35 -21 142 C +ATOM 1820 O GLN A 235 9.311 -13.870 32.588 1.00 6.88 O +ANISOU 1820 O GLN A 235 707 830 1077 -101 25 62 O +ATOM 1821 CB GLN A 235 7.947 -17.339 32.386 1.00 7.87 C +ANISOU 1821 CB GLN A 235 895 887 1207 -169 -17 81 C +ATOM 1822 CG GLN A 235 8.277 -18.477 31.406 1.00 8.54 C +ANISOU 1822 CG GLN A 235 846 881 1519 -94 151 -18 C +ATOM 1823 CD GLN A 235 7.253 -19.566 31.412 1.00 7.90 C +ANISOU 1823 CD GLN A 235 924 825 1253 -117 91 44 C +ATOM 1824 OE1 GLN A 235 6.079 -19.372 31.094 1.00 9.66 O +ANISOU 1824 OE1 GLN A 235 921 1012 1739 -113 19 141 O +ATOM 1825 NE2 GLN A 235 7.705 -20.773 31.731 1.00 9.57 N +ANISOU 1825 NE2 GLN A 235 1002 1007 1625 -81 -14 159 N +ATOM 1826 N SER A 236 7.467 -14.727 33.489 1.00 7.06 N +ANISOU 1826 N SER A 236 614 885 1184 53 35 199 N +ATOM 1827 CA SER A 236 6.973 -13.496 34.066 1.00 7.01 C +ANISOU 1827 CA SER A 236 575 839 1248 61 -22 208 C +ATOM 1828 C SER A 236 7.856 -12.970 35.198 1.00 6.57 C +ANISOU 1828 C SER A 236 755 751 991 10 19 332 C +ATOM 1829 O SER A 236 7.580 -11.877 35.707 1.00 7.58 O +ANISOU 1829 O SER A 236 707 899 1274 39 2 196 O +ATOM 1830 CB SER A 236 5.539 -13.735 34.573 1.00 7.52 C +ANISOU 1830 CB SER A 236 756 897 1204 -66 116 131 C +ATOM 1831 OG SER A 236 5.488 -14.959 35.310 1.00 8.43 O +ANISOU 1831 OG SER A 236 695 1034 1475 -137 -14 297 O +ATOM 1832 N ALA A 237 8.911 -13.696 35.576 1.00 6.73 N +ANISOU 1832 N ALA A 237 670 853 1032 -78 -21 176 N +ATOM 1833 CA ALA A 237 9.945 -13.212 36.496 1.00 6.89 C +ANISOU 1833 CA ALA A 237 604 887 1127 -66 6 163 C +ATOM 1834 C ALA A 237 11.145 -12.637 35.758 1.00 6.80 C +ANISOU 1834 C ALA A 237 635 835 1113 -48 -18 188 C +ATOM 1835 O ALA A 237 12.002 -12.039 36.410 1.00 7.30 O +ANISOU 1835 O ALA A 237 741 866 1165 -75 -2 130 O +ATOM 1836 CB ALA A 237 10.412 -14.301 37.422 1.00 7.28 C +ANISOU 1836 CB ALA A 237 669 978 1118 99 90 176 C +ATOM 1837 N GLY A 238 11.288 -12.886 34.426 1.00 6.85 N +ANISOU 1837 N GLY A 238 704 794 1105 -10 74 194 N +ATOM 1838 CA GLY A 238 12.531 -12.484 33.782 1.00 6.59 C +ANISOU 1838 CA GLY A 238 708 693 1103 -99 32 281 C +ATOM 1839 C GLY A 238 12.633 -12.458 32.289 1.00 6.43 C +ANISOU 1839 C GLY A 238 696 626 1122 -132 10 236 C +ATOM 1840 O GLY A 238 13.747 -12.132 31.857 1.00 7.45 O +ANISOU 1840 O GLY A 238 772 1010 1048 -199 -30 170 O +ATOM 1841 N ALA A 239 11.615 -12.699 31.459 1.00 6.41 N +ANISOU 1841 N ALA A 239 612 721 1102 73 -12 113 N +ATOM 1842 CA ALA A 239 11.852 -12.907 30.020 1.00 6.95 C +ANISOU 1842 CA ALA A 239 683 796 1160 -16 56 94 C +ATOM 1843 C ALA A 239 11.584 -11.701 29.118 1.00 6.17 C +ANISOU 1843 C ALA A 239 571 739 1033 -41 -117 -1 C +ATOM 1844 O ALA A 239 11.665 -11.870 27.894 1.00 6.99 O +ANISOU 1844 O ALA A 239 705 818 1132 0 -44 43 O +ATOM 1845 CB ALA A 239 11.047 -14.105 29.516 1.00 8.35 C +ANISOU 1845 CB ALA A 239 1074 726 1373 -20 2 9 C +ATOM 1846 N VAL A 240 11.308 -10.490 29.608 1.00 6.36 N +ANISOU 1846 N VAL A 240 654 770 992 -58 -94 86 N +ATOM 1847 CA VAL A 240 11.079 -9.341 28.692 1.00 6.61 C +ANISOU 1847 CA VAL A 240 676 815 1021 -35 -27 173 C +ATOM 1848 C VAL A 240 12.380 -8.943 28.005 1.00 6.14 C +ANISOU 1848 C VAL A 240 671 655 1007 47 -61 183 C +ATOM 1849 O VAL A 240 13.472 -8.930 28.591 1.00 6.17 O +ANISOU 1849 O VAL A 240 713 691 941 -71 -27 195 O +ATOM 1850 CB VAL A 240 10.458 -8.175 29.502 1.00 7.46 C +ANISOU 1850 CB VAL A 240 760 824 1249 88 -3 179 C +ATOM 1851 CG1 VAL A 240 10.530 -6.845 28.739 1.00 7.70 C +ANISOU 1851 CG1 VAL A 240 1089 771 1064 43 115 62 C +ATOM 1852 CG2 VAL A 240 9.009 -8.459 29.890 1.00 8.54 C +ANISOU 1852 CG2 VAL A 240 756 1178 1312 -64 -6 214 C +ATOM 1853 N ILE A 241 12.233 -8.516 26.754 1.00 6.17 N +ANISOU 1853 N ILE A 241 673 737 933 -8 -52 96 N +ATOM 1854 CA ILE A 241 13.244 -7.877 25.938 1.00 6.27 C +ANISOU 1854 CA ILE A 241 631 722 1028 -21 33 117 C +ATOM 1855 C ILE A 241 12.898 -6.410 25.796 1.00 6.10 C +ANISOU 1855 C ILE A 241 698 753 869 -22 -107 128 C +ATOM 1856 O ILE A 241 11.739 -6.081 25.593 1.00 6.65 O +ANISOU 1856 O ILE A 241 658 835 1035 24 -15 121 O +ATOM 1857 CB ILE A 241 13.280 -8.552 24.537 1.00 6.73 C +ANISOU 1857 CB ILE A 241 740 779 1038 74 37 51 C +ATOM 1858 CG1 ILE A 241 13.726 -10.006 24.652 1.00 8.10 C +ANISOU 1858 CG1 ILE A 241 984 744 1348 8 -72 -93 C +ATOM 1859 CG2 ILE A 241 14.089 -7.732 23.542 1.00 7.51 C +ANISOU 1859 CG2 ILE A 241 896 1032 927 9 6 123 C +ATOM 1860 CD1 ILE A 241 13.386 -10.854 23.428 1.00 8.99 C +ANISOU 1860 CD1 ILE A 241 1134 853 1430 10 -164 -171 C +ATOM 1861 N SER A 242 13.879 -5.516 25.916 1.00 6.07 N +ANISOU 1861 N SER A 242 679 634 996 -29 -65 61 N +ATOM 1862 CA SER A 242 13.569 -4.081 25.761 1.00 6.71 C +ANISOU 1862 CA SER A 242 851 687 1012 -13 89 181 C +ATOM 1863 C SER A 242 14.812 -3.317 25.300 1.00 5.85 C +ANISOU 1863 C SER A 242 709 709 807 24 -32 51 C +ATOM 1864 O SER A 242 15.781 -3.873 24.807 1.00 6.99 O +ANISOU 1864 O SER A 242 811 756 1090 -24 4 -42 O +ATOM 1865 CB SER A 242 12.957 -3.551 27.047 1.00 6.60 C +ANISOU 1865 CB SER A 242 806 716 985 87 82 211 C +ATOM 1866 OG SER A 242 12.351 -2.276 26.908 1.00 6.96 O +ANISOU 1866 OG SER A 242 782 772 1091 37 14 197 O +ATOM 1867 N SER A 243 14.733 -2.014 25.464 1.00 6.68 N +ANISOU 1867 N SER A 243 743 653 1141 -70 -55 68 N +ATOM 1868 CA SER A 243 15.806 -1.082 25.117 1.00 6.82 C +ANISOU 1868 CA SER A 243 864 697 1031 -53 102 29 C +ATOM 1869 C SER A 243 15.909 -0.056 26.225 1.00 6.24 C +ANISOU 1869 C SER A 243 822 530 1019 -8 -82 184 C +ATOM 1870 O SER A 243 15.012 0.118 27.071 1.00 7.23 O +ANISOU 1870 O SER A 243 849 766 1132 -21 77 8 O +ATOM 1871 CB SER A 243 15.510 -0.362 23.815 1.00 7.87 C +ANISOU 1871 CB SER A 243 1021 808 1163 -24 -40 86 C +ATOM 1872 OG SER A 243 14.402 0.525 23.990 1.00 8.13 O +ANISOU 1872 OG SER A 243 980 900 1210 106 -24 174 O +ATOM 1873 N THR A 244 17.030 0.662 26.236 1.00 7.01 N +ANISOU 1873 N THR A 244 864 610 1189 -55 70 23 N +ATOM 1874 CA THR A 244 17.203 1.737 27.246 1.00 6.53 C +ANISOU 1874 CA THR A 244 817 690 973 -17 15 -37 C +ATOM 1875 C THR A 244 16.107 2.785 27.120 1.00 7.18 C +ANISOU 1875 C THR A 244 983 696 1049 41 -19 -24 C +ATOM 1876 O THR A 244 15.608 3.284 28.118 1.00 8.01 O +ANISOU 1876 O THR A 244 1081 810 1151 93 75 -85 O +ATOM 1877 CB THR A 244 18.592 2.391 27.149 1.00 7.31 C +ANISOU 1877 CB THR A 244 944 639 1194 -145 18 160 C +ATOM 1878 OG1 THR A 244 18.756 3.037 25.872 1.00 7.85 O +ANISOU 1878 OG1 THR A 244 1033 818 1133 -131 93 52 O +ATOM 1879 CG2 THR A 244 19.703 1.380 27.382 1.00 7.99 C +ANISOU 1879 CG2 THR A 244 748 977 1310 -139 -55 82 C +ATOM 1880 N GLN A 245 15.757 3.176 25.896 1.00 7.27 N +ANISOU 1880 N GLN A 245 934 688 1140 -82 -129 48 N +ATOM 1881 CA GLN A 245 14.704 4.180 25.722 1.00 7.43 C +ANISOU 1881 CA GLN A 245 941 731 1151 -21 78 177 C +ATOM 1882 C GLN A 245 13.383 3.666 26.279 1.00 7.09 C +ANISOU 1882 C GLN A 245 926 763 1005 -35 4 174 C +ATOM 1883 O GLN A 245 12.646 4.402 26.988 1.00 7.87 O +ANISOU 1883 O GLN A 245 991 833 1167 -66 131 51 O +ATOM 1884 CB GLN A 245 14.536 4.596 24.254 1.00 9.16 C +ANISOU 1884 CB GLN A 245 1043 1161 1276 105 172 375 C +ATOM 1885 CG GLN A 245 13.484 5.645 24.090 1.00 10.40 C +ANISOU 1885 CG GLN A 245 1173 1266 1512 190 -97 233 C +ATOM 1886 CD GLN A 245 13.409 6.177 22.675 1.00 15.69 C +ANISOU 1886 CD GLN A 245 2356 1917 1689 414 -484 556 C +ATOM 1887 OE1 GLN A 245 12.762 7.199 22.397 1.00 30.59 O +ANISOU 1887 OE1 GLN A 245 5187 3716 2721 2373 -384 1213 O +ATOM 1888 NE2 GLN A 245 14.060 5.573 21.695 1.00 21.92 N +ANISOU 1888 NE2 GLN A 245 2550 4219 1560 1273 279 1249 N +ATOM 1889 N ASP A 246 13.038 2.388 25.982 1.00 6.87 N +ANISOU 1889 N ASP A 246 809 806 996 39 -19 116 N +ATOM 1890 CA ASP A 246 11.708 1.893 26.420 1.00 6.87 C +ANISOU 1890 CA ASP A 246 865 762 983 -21 23 81 C +ATOM 1891 C ASP A 246 11.650 1.691 27.918 1.00 6.49 C +ANISOU 1891 C ASP A 246 681 660 1127 -34 42 165 C +ATOM 1892 O ASP A 246 10.608 1.955 28.509 1.00 6.92 O +ANISOU 1892 O ASP A 246 862 771 996 38 36 84 O +ATOM 1893 CB ASP A 246 11.334 0.632 25.665 1.00 6.90 C +ANISOU 1893 CB ASP A 246 802 765 1054 -15 -45 178 C +ATOM 1894 CG ASP A 246 10.831 0.846 24.252 1.00 6.91 C +ANISOU 1894 CG ASP A 246 757 787 1080 66 35 65 C +ATOM 1895 OD1 ASP A 246 10.801 2.013 23.807 1.00 8.63 O +ANISOU 1895 OD1 ASP A 246 1277 841 1160 67 -72 123 O +ATOM 1896 OD2 ASP A 246 10.469 -0.189 23.628 1.00 7.81 O +ANISOU 1896 OD2 ASP A 246 1077 815 1075 -88 -106 145 O +ATOM 1897 N LEU A 247 12.737 1.240 28.546 1.00 7.17 N +ANISOU 1897 N LEU A 247 939 758 1026 179 -14 190 N +ATOM 1898 CA LEU A 247 12.667 1.085 30.002 1.00 7.18 C +ANISOU 1898 CA LEU A 247 883 763 1081 158 81 204 C +ATOM 1899 C LEU A 247 12.582 2.466 30.648 1.00 6.91 C +ANISOU 1899 C LEU A 247 780 831 1014 130 80 207 C +ATOM 1900 O LEU A 247 11.885 2.632 31.661 1.00 7.30 O +ANISOU 1900 O LEU A 247 891 802 1078 106 78 180 O +ATOM 1901 CB LEU A 247 13.852 0.296 30.574 1.00 6.74 C +ANISOU 1901 CB LEU A 247 754 798 1009 87 -136 65 C +ATOM 1902 CG LEU A 247 13.852 -1.188 30.158 1.00 6.75 C +ANISOU 1902 CG LEU A 247 641 855 1070 169 -6 53 C +ATOM 1903 CD1 LEU A 247 14.983 -1.905 30.925 1.00 8.27 C +ANISOU 1903 CD1 LEU A 247 898 924 1318 326 31 296 C +ATOM 1904 CD2 LEU A 247 12.530 -1.879 30.446 1.00 7.75 C +ANISOU 1904 CD2 LEU A 247 860 936 1150 -42 110 120 C +ATOM 1905 N ASP A 248 13.269 3.470 30.105 1.00 6.76 N +ANISOU 1905 N ASP A 248 646 778 1144 -29 -12 2 N +ATOM 1906 CA ASP A 248 13.132 4.842 30.605 1.00 7.28 C +ANISOU 1906 CA ASP A 248 817 858 1092 68 55 -23 C +ATOM 1907 C ASP A 248 11.657 5.280 30.497 1.00 6.46 C +ANISOU 1907 C ASP A 248 832 717 907 59 -16 105 C +ATOM 1908 O ASP A 248 11.090 5.822 31.444 1.00 7.76 O +ANISOU 1908 O ASP A 248 890 886 1171 108 55 -69 O +ATOM 1909 CB ASP A 248 14.054 5.770 29.845 1.00 7.73 C +ANISOU 1909 CB ASP A 248 709 810 1419 0 -96 73 C +ATOM 1910 CG ASP A 248 15.483 5.720 30.351 1.00 8.12 C +ANISOU 1910 CG ASP A 248 835 851 1400 137 -21 196 C +ATOM 1911 OD1 ASP A 248 15.841 5.052 31.310 1.00 8.16 O +ANISOU 1911 OD1 ASP A 248 935 834 1332 187 -81 110 O +ATOM 1912 OD2 ASP A 248 16.290 6.494 29.706 1.00 10.33 O +ANISOU 1912 OD2 ASP A 248 820 1116 1989 -138 -79 486 O +ATOM 1913 N THR A 249 11.057 5.057 29.332 1.00 6.59 N +ANISOU 1913 N THR A 249 793 704 1006 63 -17 214 N +ATOM 1914 CA THR A 249 9.652 5.438 29.151 1.00 7.86 C +ANISOU 1914 CA THR A 249 847 1068 1072 74 -50 185 C +ATOM 1915 C THR A 249 8.769 4.724 30.135 1.00 7.21 C +ANISOU 1915 C THR A 249 850 759 1130 97 13 30 C +ATOM 1916 O THR A 249 7.858 5.328 30.746 1.00 7.76 O +ANISOU 1916 O THR A 249 925 922 1103 168 87 224 O +ATOM 1917 CB THR A 249 9.237 5.104 27.717 1.00 7.94 C +ANISOU 1917 CB THR A 249 899 1003 1113 -86 -86 263 C +ATOM 1918 OG1 THR A 249 10.037 5.903 26.830 1.00 8.51 O +ANISOU 1918 OG1 THR A 249 1059 923 1252 9 59 379 O +ATOM 1919 CG2 THR A 249 7.745 5.419 27.486 1.00 8.93 C +ANISOU 1919 CG2 THR A 249 927 1212 1254 88 -188 177 C +ATOM 1920 N PHE A 250 8.981 3.436 30.313 1.00 7.87 N +ANISOU 1920 N PHE A 250 1001 806 1184 45 81 98 N +ATOM 1921 CA PHE A 250 8.149 2.634 31.238 1.00 7.52 C +ANISOU 1921 CA PHE A 250 888 835 1135 69 54 113 C +ATOM 1922 C PHE A 250 8.272 3.145 32.675 1.00 7.07 C +ANISOU 1922 C PHE A 250 812 701 1173 176 24 87 C +ATOM 1923 O PHE A 250 7.242 3.375 33.322 1.00 7.57 O +ANISOU 1923 O PHE A 250 754 902 1218 103 34 4 O +ATOM 1924 CB PHE A 250 8.561 1.188 31.119 1.00 7.86 C +ANISOU 1924 CB PHE A 250 901 807 1276 12 226 43 C +ATOM 1925 CG PHE A 250 7.899 0.285 32.153 1.00 7.70 C +ANISOU 1925 CG PHE A 250 840 812 1275 -23 2 107 C +ATOM 1926 CD1 PHE A 250 6.540 -0.021 32.080 1.00 8.36 C +ANISOU 1926 CD1 PHE A 250 754 1123 1300 167 167 183 C +ATOM 1927 CD2 PHE A 250 8.632 -0.232 33.211 1.00 8.79 C +ANISOU 1927 CD2 PHE A 250 968 1030 1341 -21 -56 162 C +ATOM 1928 CE1 PHE A 250 5.946 -0.833 33.013 1.00 8.62 C +ANISOU 1928 CE1 PHE A 250 789 1101 1384 -109 -15 142 C +ATOM 1929 CE2 PHE A 250 8.035 -1.070 34.145 1.00 9.11 C +ANISOU 1929 CE2 PHE A 250 956 1346 1160 39 -40 198 C +ATOM 1930 CZ PHE A 250 6.701 -1.367 34.057 1.00 8.76 C +ANISOU 1930 CZ PHE A 250 934 1135 1260 108 -5 65 C +ATOM 1931 N PHE A 251 9.479 3.255 33.229 1.00 7.27 N +ANISOU 1931 N PHE A 251 816 802 1144 132 -5 137 N +ATOM 1932 CA PHE A 251 9.539 3.643 34.635 1.00 7.89 C +ANISOU 1932 CA PHE A 251 1058 870 1070 187 -47 136 C +ATOM 1933 C PHE A 251 9.143 5.097 34.817 1.00 7.54 C +ANISOU 1933 C PHE A 251 909 885 1070 137 -59 56 C +ATOM 1934 O PHE A 251 8.558 5.433 35.869 1.00 8.79 O +ANISOU 1934 O PHE A 251 1305 902 1131 173 -36 38 O +ATOM 1935 CB PHE A 251 10.931 3.388 35.212 1.00 8.37 C +ANISOU 1935 CB PHE A 251 900 1032 1248 192 -45 221 C +ATOM 1936 CG PHE A 251 11.083 1.881 35.493 1.00 7.93 C +ANISOU 1936 CG PHE A 251 794 1038 1181 86 -18 87 C +ATOM 1937 CD1 PHE A 251 10.356 1.327 36.533 1.00 8.77 C +ANISOU 1937 CD1 PHE A 251 1146 1033 1152 17 -38 108 C +ATOM 1938 CD2 PHE A 251 11.918 1.076 34.739 1.00 8.07 C +ANISOU 1938 CD2 PHE A 251 829 929 1306 104 -71 122 C +ATOM 1939 CE1 PHE A 251 10.452 -0.034 36.802 1.00 8.73 C +ANISOU 1939 CE1 PHE A 251 1088 963 1267 -33 -197 133 C +ATOM 1940 CE2 PHE A 251 12.006 -0.298 34.973 1.00 9.01 C +ANISOU 1940 CE2 PHE A 251 714 971 1739 116 -43 341 C +ATOM 1941 CZ PHE A 251 11.279 -0.834 36.037 1.00 8.52 C +ANISOU 1941 CZ PHE A 251 923 960 1355 5 -174 233 C +ATOM 1942 N SER A 252 9.352 5.996 33.844 1.00 8.12 N +ANISOU 1942 N SER A 252 1035 831 1218 134 -10 47 N +ATOM 1943 CA SER A 252 8.823 7.357 33.980 1.00 8.80 C +ANISOU 1943 CA SER A 252 1179 866 1300 159 -11 -4 C +ATOM 1944 C SER A 252 7.291 7.355 34.008 1.00 8.41 C +ANISOU 1944 C SER A 252 1117 903 1176 199 31 164 C +ATOM 1945 O SER A 252 6.699 8.085 34.772 1.00 9.30 O +ANISOU 1945 O SER A 252 1250 1013 1271 297 140 134 O +ATOM 1946 CB SER A 252 9.302 8.197 32.772 1.00 10.05 C +ANISOU 1946 CB SER A 252 996 1099 1722 306 243 272 C +ATOM 1947 OG SER A 252 10.659 8.560 32.966 1.00 13.28 O +ANISOU 1947 OG SER A 252 1237 1277 2533 -8 -92 404 O +ATOM 1948 N ALA A 253 6.676 6.554 33.154 1.00 8.58 N +ANISOU 1948 N ALA A 253 992 984 1283 170 90 134 N +ATOM 1949 CA ALA A 253 5.215 6.432 33.129 1.00 8.95 C +ANISOU 1949 CA ALA A 253 986 1108 1308 64 98 243 C +ATOM 1950 C ALA A 253 4.685 5.862 34.438 1.00 8.84 C +ANISOU 1950 C ALA A 253 1091 902 1366 212 246 137 C +ATOM 1951 O ALA A 253 3.645 6.320 34.964 1.00 9.36 O +ANISOU 1951 O ALA A 253 1075 1088 1392 299 185 224 O +ATOM 1952 CB ALA A 253 4.802 5.552 31.934 1.00 8.80 C +ANISOU 1952 CB ALA A 253 1058 894 1393 182 34 184 C +ATOM 1953 N LEU A 254 5.398 4.865 34.966 1.00 8.47 N +ANISOU 1953 N LEU A 254 921 1029 1268 102 134 220 N +ATOM 1954 CA LEU A 254 4.963 4.284 36.258 1.00 8.79 C +ANISOU 1954 CA LEU A 254 1053 1002 1284 167 104 205 C +ATOM 1955 C LEU A 254 5.005 5.341 37.336 1.00 8.50 C +ANISOU 1955 C LEU A 254 909 1004 1316 333 160 238 C +ATOM 1956 O LEU A 254 4.009 5.564 38.047 1.00 9.68 O +ANISOU 1956 O LEU A 254 1059 1303 1314 192 262 166 O +ATOM 1957 CB LEU A 254 5.934 3.124 36.590 1.00 8.69 C +ANISOU 1957 CB LEU A 254 1090 1145 1068 287 40 144 C +ATOM 1958 CG LEU A 254 5.571 2.445 37.931 1.00 9.13 C +ANISOU 1958 CG LEU A 254 950 1196 1323 227 169 307 C +ATOM 1959 CD1 LEU A 254 4.169 1.862 37.936 1.00 10.09 C +ANISOU 1959 CD1 LEU A 254 1149 1286 1397 -21 96 159 C +ATOM 1960 CD2 LEU A 254 6.640 1.391 38.213 1.00 12.64 C +ANISOU 1960 CD2 LEU A 254 1348 1893 1561 745 178 653 C +ATOM 1961 N MET A 255 6.163 5.980 37.523 1.00 9.02 N +ANISOU 1961 N MET A 255 1030 1147 1248 192 139 93 N +ATOM 1962 CA MET A 255 6.330 6.868 38.679 1.00 9.90 C +ANISOU 1962 CA MET A 255 1135 1269 1356 299 130 -27 C +ATOM 1963 C MET A 255 5.498 8.117 38.563 1.00 10.18 C +ANISOU 1963 C MET A 255 1321 1114 1432 277 315 133 C +ATOM 1964 O MET A 255 5.079 8.713 39.570 1.00 11.87 O +ANISOU 1964 O MET A 255 1484 1414 1613 304 244 -216 O +ATOM 1965 CB MET A 255 7.833 7.193 38.883 1.00 9.72 C +ANISOU 1965 CB MET A 255 1123 1120 1449 38 156 136 C +ATOM 1966 CG MET A 255 8.684 5.948 39.143 1.00 12.30 C +ANISOU 1966 CG MET A 255 1378 1440 1854 272 13 502 C +ATOM 1967 SD MET A 255 8.094 4.853 40.430 1.00 11.30 S +ANISOU 1967 SD MET A 255 1277 1404 1612 54 -61 353 S +ATOM 1968 CE MET A 255 8.274 5.920 41.855 1.00 19.30 C +ANISOU 1968 CE MET A 255 2576 3049 1707 746 -248 -386 C +ATOM 1969 N SER A 256 5.186 8.546 37.331 1.00 10.64 N +ANISOU 1969 N SER A 256 1493 1009 1541 274 93 88 N +ATOM 1970 CA SER A 256 4.380 9.761 37.111 1.00 10.68 C +ANISOU 1970 CA SER A 256 1651 905 1502 254 107 99 C +ATOM 1971 C SER A 256 2.901 9.452 37.142 1.00 12.94 C +ANISOU 1971 C SER A 256 1578 1253 2087 479 491 186 C +ATOM 1972 O SER A 256 2.101 10.371 36.976 1.00 15.71 O +ANISOU 1972 O SER A 256 1755 1267 2948 555 603 340 O +ATOM 1973 CB SER A 256 4.754 10.467 35.814 1.00 11.62 C +ANISOU 1973 CB SER A 256 1833 1186 1394 422 307 87 C +ATOM 1974 OG SER A 256 4.408 9.701 34.677 1.00 11.55 O +ANISOU 1974 OG SER A 256 1483 1379 1526 356 93 182 O +ATOM 1975 N GLY A 257 2.490 8.219 37.419 1.00 11.45 N +ANISOU 1975 N GLY A 257 1383 1234 1733 372 502 75 N +ATOM 1976 CA GLY A 257 1.112 7.846 37.677 1.00 13.95 C +ANISOU 1976 CA GLY A 257 1374 1581 2347 334 579 -345 C +ATOM 1977 C GLY A 257 0.272 7.489 36.484 1.00 13.04 C +ANISOU 1977 C GLY A 257 1195 1324 2437 421 416 101 C +ATOM 1978 O GLY A 257 -0.972 7.592 36.538 1.00 18.17 O +ANISOU 1978 O GLY A 257 1156 2508 3241 301 497 -1 O +ATOM 1979 N GLN A 258 0.886 7.044 35.377 1.00 12.12 N +ANISOU 1979 N GLN A 258 1167 1290 2148 502 157 79 N +ATOM 1980 CA GLN A 258 0.157 6.730 34.163 1.00 12.24 C +ANISOU 1980 CA GLN A 258 1044 1610 1996 247 -86 878 C +ATOM 1981 C GLN A 258 -0.337 5.293 34.026 1.00 12.42 C +ANISOU 1981 C GLN A 258 1478 1508 1731 307 75 414 C +ATOM 1982 O GLN A 258 -1.071 5.061 33.049 1.00 15.93 O +ANISOU 1982 O GLN A 258 2397 1587 2068 237 -476 525 O +ATOM 1983 CB GLN A 258 1.055 7.021 32.926 1.00 15.61 C +ANISOU 1983 CB GLN A 258 1419 2428 2083 -69 -42 948 C +ATOM 1984 CG GLN A 258 1.508 8.489 32.939 1.00 24.29 C +ANISOU 1984 CG GLN A 258 2741 2858 3631 -1057 -465 1790 C +ATOM 1985 CD GLN A 258 2.341 8.914 31.769 1.00 30.75 C +ANISOU 1985 CD GLN A 258 3153 4507 4022 -1369 -488 2700 C +ATOM 1986 OE1 GLN A 258 2.028 8.583 30.621 1.00 50.75 O +ANISOU 1986 OE1 GLN A 258 6157 9318 3809 -4370 -37 2415 O +ATOM 1987 NE2 GLN A 258 3.408 9.665 32.036 1.00 37.71 N +ANISOU 1987 NE2 GLN A 258 3381 5762 5185 -2109 -765 3360 N +ATOM 1988 N LEU A 259 0.097 4.389 34.910 1.00 10.70 N +ANISOU 1988 N LEU A 259 1333 1323 1408 264 227 278 N +ATOM 1989 CA LEU A 259 -0.115 2.963 34.655 1.00 10.42 C +ANISOU 1989 CA LEU A 259 1115 1359 1487 232 135 236 C +ATOM 1990 C LEU A 259 -1.082 2.290 35.618 1.00 10.51 C +ANISOU 1990 C LEU A 259 1048 1468 1476 223 5 365 C +ATOM 1991 O LEU A 259 -1.316 1.076 35.456 1.00 11.83 O +ANISOU 1991 O LEU A 259 1157 1724 1614 -137 154 1 O +ATOM 1992 CB LEU A 259 1.246 2.230 34.678 1.00 10.19 C +ANISOU 1992 CB LEU A 259 1237 1342 1292 260 207 322 C +ATOM 1993 CG LEU A 259 2.175 2.530 33.475 1.00 11.55 C +ANISOU 1993 CG LEU A 259 974 1708 1705 179 227 707 C +ATOM 1994 CD1 LEU A 259 3.515 1.837 33.628 1.00 11.19 C +ANISOU 1994 CD1 LEU A 259 1190 1552 1512 455 208 472 C +ATOM 1995 CD2 LEU A 259 1.522 2.044 32.202 1.00 21.98 C +ANISOU 1995 CD2 LEU A 259 1380 5737 1233 610 139 368 C +ATOM 1996 N MET A 260 -1.619 3.026 36.596 1.00 10.73 N +ANISOU 1996 N MET A 260 989 1688 1402 23 -2 180 N +ATOM 1997 CA MET A 260 -2.557 2.451 37.561 1.00 11.14 C +ANISOU 1997 CA MET A 260 864 1737 1631 289 94 358 C +ATOM 1998 C MET A 260 -3.136 3.589 38.379 1.00 11.74 C +ANISOU 1998 C MET A 260 1285 1748 1427 337 85 403 C +ATOM 1999 O MET A 260 -2.690 4.725 38.212 1.00 11.67 O +ANISOU 1999 O MET A 260 1289 1687 1457 427 195 481 O +ATOM 2000 CB MET A 260 -1.860 1.425 38.468 1.00 11.16 C +ANISOU 2000 CB MET A 260 1370 1585 1286 272 -22 136 C +ATOM 2001 CG MET A 260 -0.759 2.056 39.306 1.00 10.35 C +ANISOU 2001 CG MET A 260 929 1347 1657 410 35 242 C +ATOM 2002 SD MET A 260 0.258 0.828 40.183 1.00 10.44 S +ANISOU 2002 SD MET A 260 1063 1370 1536 388 169 235 S +ATOM 2003 CE MET A 260 1.073 0.051 38.771 1.00 10.46 C +ANISOU 2003 CE MET A 260 1045 1401 1530 423 314 310 C +ATOM 2004 N SER A 261 -4.114 3.287 39.230 1.00 12.33 N +ANISOU 2004 N SER A 261 1097 1833 1755 521 228 454 N +ATOM 2005 CA SER A 261 -4.657 4.328 40.128 1.00 13.41 C +ANISOU 2005 CA SER A 261 1086 1864 2144 602 367 386 C +ATOM 2006 C SER A 261 -3.568 4.786 41.084 1.00 13.27 C +ANISOU 2006 C SER A 261 1299 1766 1979 579 340 297 C +ATOM 2007 O SER A 261 -2.568 4.104 41.392 1.00 12.88 O +ANISOU 2007 O SER A 261 1367 1796 1730 643 232 233 O +ATOM 2008 CB SER A 261 -5.852 3.776 40.907 1.00 13.65 C +ANISOU 2008 CB SER A 261 1252 1806 2127 589 405 439 C +ATOM 2009 OG SER A 261 -5.379 2.807 41.876 1.00 13.27 O +ANISOU 2009 OG SER A 261 1276 1981 1783 470 335 363 O +ATOM 2010 N ALA A 262 -3.771 5.966 41.662 1.00 14.45 N +ANISOU 2010 N ALA A 262 1799 1716 1976 730 364 398 N +ATOM 2011 CA ALA A 262 -2.883 6.466 42.723 1.00 14.84 C +ANISOU 2011 CA ALA A 262 1882 1693 2064 865 427 71 C +ATOM 2012 C ALA A 262 -2.866 5.506 43.888 1.00 13.35 C +ANISOU 2012 C ALA A 262 1302 1875 1897 486 289 -56 C +ATOM 2013 O ALA A 262 -1.802 5.266 44.508 1.00 12.78 O +ANISOU 2013 O ALA A 262 1310 1465 2082 383 300 31 O +ATOM 2014 CB ALA A 262 -3.341 7.876 43.137 1.00 19.72 C +ANISOU 2014 CB ALA A 262 1884 1584 4023 585 517 -301 C +ATOM 2015 N ALA A 263 -4.016 4.921 44.232 1.00 15.55 N +ANISOU 2015 N ALA A 263 1237 2018 2653 710 585 250 N +ATOM 2016 CA ALA A 263 -4.044 4.006 45.377 1.00 14.31 C +ANISOU 2016 CA ALA A 263 1280 2048 2111 555 512 20 C +ATOM 2017 C ALA A 263 -3.129 2.818 45.148 1.00 12.50 C +ANISOU 2017 C ALA A 263 1240 1960 1550 429 498 166 C +ATOM 2018 O ALA A 263 -2.406 2.404 46.047 1.00 13.21 O +ANISOU 2018 O ALA A 263 1294 2054 1672 393 297 93 O +ATOM 2019 CB ALA A 263 -5.480 3.498 45.647 1.00 18.33 C +ANISOU 2019 CB ALA A 263 1680 2072 3213 227 1350 -435 C +ATOM 2020 N GLN A 264 -3.174 2.232 43.961 1.00 11.80 N +ANISOU 2020 N GLN A 264 1152 1713 1618 395 405 302 N +ATOM 2021 CA GLN A 264 -2.344 1.057 43.703 1.00 11.32 C +ANISOU 2021 CA GLN A 264 1133 1585 1582 333 308 245 C +ATOM 2022 C GLN A 264 -0.870 1.426 43.568 1.00 11.34 C +ANISOU 2022 C GLN A 264 1117 1410 1784 331 237 141 C +ATOM 2023 O GLN A 264 -0.020 0.637 43.986 1.00 10.55 O +ANISOU 2023 O GLN A 264 1119 1393 1499 264 164 33 O +ATOM 2024 CB GLN A 264 -2.854 0.300 42.453 1.00 11.31 C +ANISOU 2024 CB GLN A 264 1105 1626 1567 256 100 402 C +ATOM 2025 CG GLN A 264 -3.783 -0.918 42.786 1.00 13.41 C +ANISOU 2025 CG GLN A 264 1206 1797 2093 49 251 443 C +ATOM 2026 CD GLN A 264 -4.752 -0.617 43.899 1.00 16.51 C +ANISOU 2026 CD GLN A 264 1372 3015 1886 50 344 667 C +ATOM 2027 OE1 GLN A 264 -4.341 -0.778 45.077 1.00 19.51 O +ANISOU 2027 OE1 GLN A 264 1772 3681 1962 -788 43 552 O +ATOM 2028 NE2 GLN A 264 -5.965 -0.220 43.591 1.00 15.91 N +ANISOU 2028 NE2 GLN A 264 1315 2181 2548 23 380 254 N +ATOM 2029 N LEU A 265 -0.522 2.610 43.033 1.00 10.87 N +ANISOU 2029 N LEU A 265 1100 1511 1520 346 328 190 N +ATOM 2030 CA LEU A 265 0.879 3.003 43.030 1.00 10.43 C +ANISOU 2030 CA LEU A 265 1240 1180 1543 342 258 198 C +ATOM 2031 C LEU A 265 1.390 3.162 44.426 1.00 10.55 C +ANISOU 2031 C LEU A 265 1243 1270 1494 211 286 119 C +ATOM 2032 O LEU A 265 2.517 2.803 44.743 1.00 10.95 O +ANISOU 2032 O LEU A 265 1263 1356 1539 347 303 68 O +ATOM 2033 CB LEU A 265 1.004 4.310 42.224 1.00 11.51 C +ANISOU 2033 CB LEU A 265 1368 1377 1630 107 314 247 C +ATOM 2034 CG LEU A 265 2.474 4.763 42.042 1.00 11.86 C +ANISOU 2034 CG LEU A 265 1370 1285 1849 197 285 218 C +ATOM 2035 CD1 LEU A 265 3.296 3.728 41.280 1.00 12.97 C +ANISOU 2035 CD1 LEU A 265 1467 1555 1907 287 396 173 C +ATOM 2036 CD2 LEU A 265 2.555 6.118 41.373 1.00 14.84 C +ANISOU 2036 CD2 LEU A 265 1615 1283 2742 -94 254 322 C +ATOM 2037 N ALA A 266 0.528 3.659 45.343 1.00 11.10 N +ANISOU 2037 N ALA A 266 1395 1215 1607 361 305 59 N +ATOM 2038 CA ALA A 266 0.931 3.756 46.744 1.00 12.35 C +ANISOU 2038 CA ALA A 266 1711 1415 1567 572 369 -45 C +ATOM 2039 C ALA A 266 1.176 2.389 47.344 1.00 11.12 C +ANISOU 2039 C ALA A 266 1192 1547 1486 409 282 109 C +ATOM 2040 O ALA A 266 2.164 2.248 48.100 1.00 12.35 O +ANISOU 2040 O ALA A 266 1475 1818 1401 230 110 69 O +ATOM 2041 CB ALA A 266 -0.123 4.526 47.505 1.00 14.07 C +ANISOU 2041 CB ALA A 266 1570 1944 1831 833 285 -146 C +ATOM 2042 N GLN A 267 0.353 1.387 47.004 1.00 11.74 N +ANISOU 2042 N GLN A 267 1297 1566 1599 315 297 67 N +ATOM 2043 CA GLN A 267 0.613 0.042 47.492 1.00 11.62 C +ANISOU 2043 CA GLN A 267 1205 1652 1556 332 327 238 C +ATOM 2044 C GLN A 267 1.940 -0.481 46.926 1.00 10.55 C +ANISOU 2044 C GLN A 267 1129 1578 1302 284 135 106 C +ATOM 2045 O GLN A 267 2.713 -1.174 47.644 1.00 11.97 O +ANISOU 2045 O GLN A 267 1218 1876 1453 373 250 507 O +ATOM 2046 CB GLN A 267 -0.509 -0.918 47.103 1.00 12.55 C +ANISOU 2046 CB GLN A 267 1156 1721 1892 201 235 675 C +ATOM 2047 CG GLN A 267 -1.940 -0.508 47.545 1.00 17.69 C +ANISOU 2047 CG GLN A 267 1222 2804 2694 445 569 1106 C +ATOM 2048 CD GLN A 267 -1.941 -0.278 49.033 1.00 16.63 C +ANISOU 2048 CD GLN A 267 1708 1690 2919 585 965 489 C +ATOM 2049 OE1 GLN A 267 -1.618 -1.133 49.851 1.00 16.40 O +ANISOU 2049 OE1 GLN A 267 2259 1763 2209 262 993 271 O +ATOM 2050 NE2 GLN A 267 -2.332 0.947 49.376 1.00 23.84 N +ANISOU 2050 NE2 GLN A 267 2064 1638 5356 409 900 -48 N +ATOM 2051 N MET A 268 2.186 -0.200 45.656 1.00 9.54 N +ANISOU 2051 N MET A 268 960 1323 1341 87 157 245 N +ATOM 2052 CA MET A 268 3.445 -0.658 45.035 1.00 10.03 C +ANISOU 2052 CA MET A 268 1069 1498 1244 259 127 264 C +ATOM 2053 C MET A 268 4.672 -0.106 45.716 1.00 9.44 C +ANISOU 2053 C MET A 268 983 1281 1322 190 140 262 C +ATOM 2054 O MET A 268 5.741 -0.746 45.594 1.00 10.14 O +ANISOU 2054 O MET A 268 1126 1261 1466 260 47 132 O +ATOM 2055 CB MET A 268 3.413 -0.206 43.549 1.00 10.21 C +ANISOU 2055 CB MET A 268 1220 1426 1232 400 117 219 C +ATOM 2056 CG MET A 268 4.408 -0.991 42.694 1.00 8.94 C +ANISOU 2056 CG MET A 268 1096 1076 1225 287 98 267 C +ATOM 2057 SD MET A 268 4.346 -0.351 41.004 1.00 9.79 S +ANISOU 2057 SD MET A 268 1082 1363 1274 229 165 336 S +ATOM 2058 CE MET A 268 5.184 -1.684 40.149 1.00 10.78 C +ANISOU 2058 CE MET A 268 1498 1272 1325 201 235 203 C +ATOM 2059 N GLN A 269 4.547 1.065 46.350 1.00 10.43 N +ANISOU 2059 N GLN A 269 1105 1523 1333 309 304 100 N +ATOM 2060 CA GLN A 269 5.652 1.796 46.995 1.00 10.51 C +ANISOU 2060 CA GLN A 269 1196 1330 1467 210 300 24 C +ATOM 2061 C GLN A 269 5.650 1.641 48.502 1.00 10.99 C +ANISOU 2061 C GLN A 269 1319 1349 1508 129 193 69 C +ATOM 2062 O GLN A 269 6.315 2.443 49.193 1.00 13.05 O +ANISOU 2062 O GLN A 269 1933 1381 1643 140 47 -53 O +ATOM 2063 CB GLN A 269 5.675 3.265 46.571 1.00 11.61 C +ANISOU 2063 CB GLN A 269 1412 1344 1656 486 458 111 C +ATOM 2064 CG GLN A 269 5.813 3.398 45.035 1.00 11.76 C +ANISOU 2064 CG GLN A 269 1595 1254 1619 -13 286 111 C +ATOM 2065 CD GLN A 269 6.174 4.806 44.632 1.00 14.36 C +ANISOU 2065 CD GLN A 269 2032 1237 2187 -33 298 257 C +ATOM 2066 OE1 GLN A 269 6.997 5.467 45.271 1.00 23.30 O +ANISOU 2066 OE1 GLN A 269 4098 1985 2769 -1299 -560 631 O +ATOM 2067 NE2 GLN A 269 5.607 5.303 43.540 1.00 22.30 N +ANISOU 2067 NE2 GLN A 269 2501 2064 3906 -482 -797 1413 N +ATOM 2068 N GLN A 270 4.956 0.638 49.048 1.00 11.53 N +ANISOU 2068 N GLN A 270 1490 1504 1386 179 238 134 N +ATOM 2069 CA GLN A 270 5.095 0.345 50.510 1.00 11.53 C +ANISOU 2069 CA GLN A 270 1530 1508 1343 142 110 79 C +ATOM 2070 C GLN A 270 6.335 -0.494 50.684 1.00 11.07 C +ANISOU 2070 C GLN A 270 1538 1504 1164 68 107 -58 C +ATOM 2071 O GLN A 270 6.406 -1.668 50.271 1.00 13.98 O +ANISOU 2071 O GLN A 270 1887 1501 1922 233 -7 -273 O +ATOM 2072 CB GLN A 270 3.878 -0.345 51.052 1.00 13.84 C +ANISOU 2072 CB GLN A 270 1691 1787 1779 259 629 125 C +ATOM 2073 CG GLN A 270 2.675 0.584 51.056 1.00 16.21 C +ANISOU 2073 CG GLN A 270 1682 2406 2070 525 361 308 C +ATOM 2074 CD GLN A 270 1.413 -0.106 51.524 1.00 22.01 C +ANISOU 2074 CD GLN A 270 1755 3343 3266 687 757 1034 C +ATOM 2075 OE1 GLN A 270 0.439 0.607 51.785 1.00 32.73 O +ANISOU 2075 OE1 GLN A 270 2265 4382 5789 908 1750 -62 O +ATOM 2076 NE2 GLN A 270 1.422 -1.423 51.635 1.00 21.03 N +ANISOU 2076 NE2 GLN A 270 2193 3219 2579 -266 1084 -56 N +ATOM 2077 N TRP A 271 7.385 0.083 51.227 1.00 10.70 N +ANISOU 2077 N TRP A 271 1415 1655 998 75 150 71 N +ATOM 2078 CA TRP A 271 8.696 -0.530 51.172 1.00 10.78 C +ANISOU 2078 CA TRP A 271 1523 1356 1215 154 142 37 C +ATOM 2079 C TRP A 271 8.928 -1.520 52.314 1.00 11.58 C +ANISOU 2079 C TRP A 271 1639 1589 1174 303 262 126 C +ATOM 2080 O TRP A 271 8.757 -1.229 53.513 1.00 12.88 O +ANISOU 2080 O TRP A 271 1947 1766 1179 185 246 49 O +ATOM 2081 CB TRP A 271 9.853 0.497 51.244 1.00 11.39 C +ANISOU 2081 CB TRP A 271 1516 1550 1262 14 -124 39 C +ATOM 2082 CG TRP A 271 9.635 1.525 50.166 1.00 10.91 C +ANISOU 2082 CG TRP A 271 1597 1231 1316 -42 116 -56 C +ATOM 2083 CD1 TRP A 271 9.344 2.838 50.320 1.00 11.85 C +ANISOU 2083 CD1 TRP A 271 1822 1150 1529 -262 105 -74 C +ATOM 2084 CD2 TRP A 271 9.687 1.297 48.752 1.00 10.94 C +ANISOU 2084 CD2 TRP A 271 1582 1276 1299 108 -111 17 C +ATOM 2085 NE1 TRP A 271 9.207 3.483 49.108 1.00 12.34 N +ANISOU 2085 NE1 TRP A 271 1936 1229 1525 127 417 23 N +ATOM 2086 CE2 TRP A 271 9.407 2.542 48.120 1.00 11.21 C +ANISOU 2086 CE2 TRP A 271 1576 1233 1451 70 341 98 C +ATOM 2087 CE3 TRP A 271 9.939 0.170 47.961 1.00 10.25 C +ANISOU 2087 CE3 TRP A 271 1271 1289 1336 26 87 -44 C +ATOM 2088 CZ2 TRP A 271 9.366 2.691 46.748 1.00 10.64 C +ANISOU 2088 CZ2 TRP A 271 1275 1385 1381 -89 154 146 C +ATOM 2089 CZ3 TRP A 271 9.895 0.291 46.586 1.00 10.53 C +ANISOU 2089 CZ3 TRP A 271 1283 1369 1349 -177 200 163 C +ATOM 2090 CH2 TRP A 271 9.616 1.543 45.990 1.00 10.61 C +ANISOU 2090 CH2 TRP A 271 1251 1282 1500 -235 18 107 C +ATOM 2091 N THR A 272 9.345 -2.720 51.902 1.00 11.24 N +ANISOU 2091 N THR A 272 1548 1438 1285 155 329 205 N +ATOM 2092 CA THR A 272 9.925 -3.701 52.785 1.00 12.07 C +ANISOU 2092 CA THR A 272 1716 1634 1237 275 181 211 C +ATOM 2093 C THR A 272 11.426 -3.474 52.776 1.00 11.32 C +ANISOU 2093 C THR A 272 1801 1348 1150 102 59 240 C +ATOM 2094 O THR A 272 12.028 -3.320 51.687 1.00 11.02 O +ANISOU 2094 O THR A 272 1675 1507 1006 22 60 122 O +ATOM 2095 CB THR A 272 9.608 -5.121 52.253 1.00 12.74 C +ANISOU 2095 CB THR A 272 1339 1474 2027 220 323 278 C +ATOM 2096 OG1 THR A 272 8.158 -5.354 52.343 1.00 15.54 O +ANISOU 2096 OG1 THR A 272 1534 1841 2528 14 645 524 O +ATOM 2097 CG2 THR A 272 10.249 -6.215 53.076 1.00 15.86 C +ANISOU 2097 CG2 THR A 272 1863 1725 2437 111 554 933 C +ATOM 2098 N THR A 273 12.096 -3.433 53.914 1.00 13.40 N +ANISOU 2098 N THR A 273 1913 2084 1093 176 78 280 N +ATOM 2099 CA THR A 273 13.519 -3.258 53.979 1.00 12.68 C +ANISOU 2099 CA THR A 273 1976 1612 1230 50 -204 77 C +ATOM 2100 C THR A 273 14.267 -4.405 53.331 1.00 11.82 C +ANISOU 2100 C THR A 273 1682 1473 1337 88 -161 366 C +ATOM 2101 O THR A 273 14.058 -5.575 53.661 1.00 14.12 O +ANISOU 2101 O THR A 273 2222 1464 1679 -77 40 350 O +ATOM 2102 CB THR A 273 13.935 -3.157 55.458 1.00 15.86 C +ANISOU 2102 CB THR A 273 2330 2476 1220 -2 -165 129 C +ATOM 2103 OG1 THR A 273 13.224 -2.025 56.005 1.00 19.35 O +ANISOU 2103 OG1 THR A 273 3353 2659 1341 246 -378 -435 O +ATOM 2104 CG2 THR A 273 15.420 -2.944 55.586 1.00 18.64 C +ANISOU 2104 CG2 THR A 273 2468 2514 2101 -361 -891 727 C +ATOM 2105 N VAL A 274 15.199 -4.034 52.460 1.00 11.85 N +ANISOU 2105 N VAL A 274 1778 1283 1439 56 -123 353 N +ATOM 2106 CA VAL A 274 16.137 -4.984 51.819 1.00 12.12 C +ANISOU 2106 CA VAL A 274 1359 1422 1825 55 -123 340 C +ATOM 2107 C VAL A 274 17.469 -4.900 52.547 1.00 14.09 C +ANISOU 2107 C VAL A 274 1646 1759 1949 -51 -395 687 C +ATOM 2108 O VAL A 274 18.051 -5.906 52.963 1.00 17.64 O +ANISOU 2108 O VAL A 274 1656 2085 2960 205 -261 1273 O +ATOM 2109 CB VAL A 274 16.221 -4.698 50.321 1.00 12.23 C +ANISOU 2109 CB VAL A 274 1352 1629 1667 123 -123 167 C +ATOM 2110 CG1 VAL A 274 17.325 -5.582 49.697 1.00 13.44 C +ANISOU 2110 CG1 VAL A 274 1393 1811 1904 126 51 208 C +ATOM 2111 CG2 VAL A 274 14.876 -4.945 49.663 1.00 12.01 C +ANISOU 2111 CG2 VAL A 274 1351 1332 1879 -87 -116 354 C +ATOM 2112 N ASN A 275 17.951 -3.673 52.667 1.00 14.42 N +ANISOU 2112 N ASN A 275 1698 1830 1951 -183 -561 535 N +ATOM 2113 CA ASN A 275 19.180 -3.395 53.416 1.00 15.31 C +ANISOU 2113 CA ASN A 275 1911 2133 1775 -204 -670 635 C +ATOM 2114 C ASN A 275 19.121 -1.927 53.812 1.00 15.80 C +ANISOU 2114 C ASN A 275 2000 2249 1753 -542 -566 410 C +ATOM 2115 O ASN A 275 18.079 -1.244 53.607 1.00 15.27 O +ANISOU 2115 O ASN A 275 2358 1997 1446 -298 -422 397 O +ATOM 2116 CB ASN A 275 20.445 -3.800 52.620 1.00 16.93 C +ANISOU 2116 CB ASN A 275 1694 2045 2692 -99 -469 1028 C +ATOM 2117 CG ASN A 275 20.596 -3.017 51.325 1.00 19.88 C +ANISOU 2117 CG ASN A 275 2931 1957 2667 -143 235 937 C +ATOM 2118 OD1 ASN A 275 20.270 -1.815 51.280 1.00 15.73 O +ANISOU 2118 OD1 ASN A 275 1555 2210 2213 76 -284 848 O +ATOM 2119 ND2 ASN A 275 21.076 -3.682 50.273 1.00 19.20 N +ANISOU 2119 ND2 ASN A 275 2301 2009 2985 -25 233 831 N +ATOM 2120 N SER A 276 20.162 -1.358 54.357 1.00 19.46 N +ANISOU 2120 N SER A 276 2772 2812 1809 -1165 -1071 818 N +ATOM 2121 CA SER A 276 20.056 -0.011 54.907 1.00 19.61 C +ANISOU 2121 CA SER A 276 2997 2905 1549 -1403 -1018 625 C +ATOM 2122 C SER A 276 19.901 1.043 53.797 1.00 17.68 C +ANISOU 2122 C SER A 276 2661 2592 1466 -929 -787 375 C +ATOM 2123 O SER A 276 19.593 2.183 54.158 1.00 21.32 O +ANISOU 2123 O SER A 276 4021 2641 1437 -1009 -988 -26 O +ATOM 2124 CB SER A 276 21.291 0.335 55.749 1.00 24.68 C +ANISOU 2124 CB SER A 276 3941 3245 2193 -1947 -1779 1080 C +ATOM 2125 OG SER A 276 22.442 0.397 54.929 1.00 30.80 O +ANISOU 2125 OG SER A 276 3139 5461 3102 -1949 -2080 1902 O +ATOM 2126 N THR A 277 20.127 0.706 52.522 1.00 15.42 N +ANISOU 2126 N THR A 277 2045 2284 1531 -436 -645 515 N +ATOM 2127 CA THR A 277 19.942 1.741 51.474 1.00 14.10 C +ANISOU 2127 CA THR A 277 2209 1719 1428 -392 -601 175 C +ATOM 2128 C THR A 277 18.978 1.279 50.411 1.00 11.32 C +ANISOU 2128 C THR A 277 1663 1427 1213 -205 -316 172 C +ATOM 2129 O THR A 277 18.907 1.845 49.342 1.00 11.69 O +ANISOU 2129 O THR A 277 1840 1223 1377 -466 -468 319 O +ATOM 2130 CB THR A 277 21.275 2.155 50.823 1.00 16.63 C +ANISOU 2130 CB THR A 277 1992 1953 2373 -697 -941 848 C +ATOM 2131 OG1 THR A 277 21.894 0.945 50.351 1.00 18.04 O +ANISOU 2131 OG1 THR A 277 1562 2435 2857 -357 -335 1080 O +ATOM 2132 CG2 THR A 277 22.138 2.880 51.854 1.00 22.88 C +ANISOU 2132 CG2 THR A 277 3294 3332 2068 -1699 -1354 1156 C +ATOM 2133 N GLN A 278 18.191 0.231 50.688 1.00 10.82 N +ANISOU 2133 N GLN A 278 1686 1433 992 -161 -275 281 N +ATOM 2134 CA GLN A 278 17.284 -0.328 49.677 1.00 10.04 C +ANISOU 2134 CA GLN A 278 1331 1408 1077 -28 -125 70 C +ATOM 2135 C GLN A 278 15.994 -0.846 50.280 1.00 9.89 C +ANISOU 2135 C GLN A 278 1479 1195 1085 -9 -72 250 C +ATOM 2136 O GLN A 278 15.934 -1.374 51.404 1.00 10.62 O +ANISOU 2136 O GLN A 278 1646 1403 987 -42 -76 210 O +ATOM 2137 CB GLN A 278 17.941 -1.487 48.930 1.00 10.41 C +ANISOU 2137 CB GLN A 278 1282 1234 1440 -29 -80 143 C +ATOM 2138 CG GLN A 278 19.097 -1.064 48.051 1.00 11.19 C +ANISOU 2138 CG GLN A 278 1238 1561 1452 172 -27 167 C +ATOM 2139 CD GLN A 278 19.518 -2.149 47.119 1.00 11.44 C +ANISOU 2139 CD GLN A 278 1430 1449 1469 206 -20 316 C +ATOM 2140 OE1 GLN A 278 18.651 -2.883 46.590 1.00 14.74 O +ANISOU 2140 OE1 GLN A 278 1797 2111 1691 -70 187 -321 O +ATOM 2141 NE2 GLN A 278 20.815 -2.280 46.846 1.00 15.01 N +ANISOU 2141 NE2 GLN A 278 1582 1853 2267 402 267 -221 N +ATOM 2142 N GLY A 279 14.928 -0.717 49.494 1.00 8.89 N +ANISOU 2142 N GLY A 279 1265 980 1134 16 44 100 N +ATOM 2143 CA GLY A 279 13.640 -1.302 49.804 1.00 9.27 C +ANISOU 2143 CA GLY A 279 1378 1070 1075 -119 116 75 C +ATOM 2144 C GLY A 279 13.097 -2.079 48.612 1.00 8.22 C +ANISOU 2144 C GLY A 279 1179 897 1049 115 145 118 C +ATOM 2145 O GLY A 279 13.582 -1.959 47.494 1.00 8.47 O +ANISOU 2145 O GLY A 279 1222 1005 993 -13 94 101 O +ATOM 2146 N TYR A 280 12.079 -2.889 48.908 1.00 8.44 N +ANISOU 2146 N TYR A 280 1258 1125 823 -5 104 68 N +ATOM 2147 CA TYR A 280 11.315 -3.610 47.876 1.00 8.42 C +ANISOU 2147 CA TYR A 280 1103 1129 966 74 13 111 C +ATOM 2148 C TYR A 280 9.830 -3.384 48.089 1.00 8.53 C +ANISOU 2148 C TYR A 280 1126 1057 1060 130 156 143 C +ATOM 2149 O TYR A 280 9.371 -3.504 49.246 1.00 9.82 O +ANISOU 2149 O TYR A 280 1235 1341 1156 -34 156 103 O +ATOM 2150 CB TYR A 280 11.636 -5.095 47.870 1.00 8.52 C +ANISOU 2150 CB TYR A 280 1134 1017 1087 5 120 18 C +ATOM 2151 CG TYR A 280 11.339 -5.727 46.524 1.00 7.98 C +ANISOU 2151 CG TYR A 280 1072 959 1000 108 45 143 C +ATOM 2152 CD1 TYR A 280 12.364 -5.857 45.609 1.00 8.93 C +ANISOU 2152 CD1 TYR A 280 1056 1287 1050 61 14 5 C +ATOM 2153 CD2 TYR A 280 10.071 -6.188 46.146 1.00 7.80 C +ANISOU 2153 CD2 TYR A 280 1086 894 981 164 28 198 C +ATOM 2154 CE1 TYR A 280 12.188 -6.394 44.358 1.00 8.22 C +ANISOU 2154 CE1 TYR A 280 873 1242 1007 111 17 83 C +ATOM 2155 CE2 TYR A 280 9.863 -6.731 44.895 1.00 7.58 C +ANISOU 2155 CE2 TYR A 280 946 946 989 19 32 255 C +ATOM 2156 CZ TYR A 280 10.935 -6.829 43.994 1.00 7.34 C +ANISOU 2156 CZ TYR A 280 931 879 978 -23 3 213 C +ATOM 2157 OH TYR A 280 10.725 -7.426 42.776 1.00 7.55 O +ANISOU 2157 OH TYR A 280 905 998 965 1 64 189 O +ATOM 2158 N GLY A 281 9.105 -2.972 47.067 1.00 8.65 N +ANISOU 2158 N GLY A 281 935 1116 1234 132 153 171 N +ATOM 2159 CA GLY A 281 7.674 -2.651 47.176 1.00 8.25 C +ANISOU 2159 CA GLY A 281 999 1021 1114 148 169 128 C +ATOM 2160 C GLY A 281 6.900 -3.869 46.679 1.00 8.62 C +ANISOU 2160 C GLY A 281 1030 1270 975 25 161 183 C +ATOM 2161 O GLY A 281 7.023 -4.966 47.232 1.00 9.91 O +ANISOU 2161 O GLY A 281 1263 1200 1303 -37 -90 353 O +ATOM 2162 N LEU A 282 6.121 -3.633 45.613 1.00 8.15 N +ANISOU 2162 N LEU A 282 1049 1011 1035 73 149 91 N +ATOM 2163 CA LEU A 282 5.450 -4.759 44.934 1.00 8.69 C +ANISOU 2163 CA LEU A 282 828 1168 1305 -123 244 36 C +ATOM 2164 C LEU A 282 6.048 -4.790 43.539 1.00 7.68 C +ANISOU 2164 C LEU A 282 869 951 1098 59 71 119 C +ATOM 2165 O LEU A 282 5.740 -3.983 42.660 1.00 9.33 O +ANISOU 2165 O LEU A 282 1012 1252 1281 218 92 266 O +ATOM 2166 CB LEU A 282 3.938 -4.557 44.869 1.00 9.02 C +ANISOU 2166 CB LEU A 282 886 1265 1276 282 84 2 C +ATOM 2167 CG LEU A 282 3.234 -4.340 46.240 1.00 9.52 C +ANISOU 2167 CG LEU A 282 849 1493 1274 198 170 256 C +ATOM 2168 CD1 LEU A 282 1.761 -4.082 45.996 1.00 10.62 C +ANISOU 2168 CD1 LEU A 282 885 1708 1443 157 97 -25 C +ATOM 2169 CD2 LEU A 282 3.424 -5.536 47.145 1.00 11.20 C +ANISOU 2169 CD2 LEU A 282 1064 1501 1690 77 275 473 C +ATOM 2170 N GLY A 283 6.993 -5.710 43.315 1.00 8.11 N +ANISOU 2170 N GLY A 283 948 902 1230 78 142 40 N +ATOM 2171 CA GLY A 283 7.684 -5.801 42.028 1.00 8.14 C +ANISOU 2171 CA GLY A 283 774 1113 1205 -34 109 143 C +ATOM 2172 C GLY A 283 8.457 -4.519 41.700 1.00 8.34 C +ANISOU 2172 C GLY A 283 1074 1196 897 -156 72 88 C +ATOM 2173 O GLY A 283 8.520 -4.158 40.516 1.00 8.17 O +ANISOU 2173 O GLY A 283 1048 1053 1003 -20 -5 96 O +ATOM 2174 N LEU A 284 9.056 -3.880 42.687 1.00 7.88 N +ANISOU 2174 N LEU A 284 922 1064 1008 -115 80 171 N +ATOM 2175 CA LEU A 284 9.650 -2.527 42.501 1.00 7.20 C +ANISOU 2175 CA LEU A 284 784 952 998 5 55 244 C +ATOM 2176 C LEU A 284 10.735 -2.407 43.549 1.00 6.95 C +ANISOU 2176 C LEU A 284 892 818 930 95 104 109 C +ATOM 2177 O LEU A 284 10.523 -2.764 44.692 1.00 8.68 O +ANISOU 2177 O LEU A 284 938 1422 939 -2 48 208 O +ATOM 2178 CB LEU A 284 8.623 -1.447 42.651 1.00 8.37 C +ANISOU 2178 CB LEU A 284 866 1091 1224 67 128 254 C +ATOM 2179 CG LEU A 284 9.043 -0.043 42.218 1.00 8.52 C +ANISOU 2179 CG LEU A 284 915 959 1363 106 135 83 C +ATOM 2180 CD1 LEU A 284 9.350 0.016 40.739 1.00 9.53 C +ANISOU 2180 CD1 LEU A 284 1137 1044 1440 146 305 316 C +ATOM 2181 CD2 LEU A 284 7.960 0.947 42.583 1.00 10.01 C +ANISOU 2181 CD2 LEU A 284 897 1140 1765 201 188 11 C +ATOM 2182 N ARG A 285 11.902 -1.890 43.146 1.00 7.43 N +ANISOU 2182 N ARG A 285 827 1035 959 12 16 32 N +ATOM 2183 CA ARG A 285 12.998 -1.625 44.068 1.00 7.32 C +ANISOU 2183 CA ARG A 285 812 940 1028 90 -55 148 C +ATOM 2184 C ARG A 285 13.158 -0.121 44.318 1.00 8.00 C +ANISOU 2184 C ARG A 285 985 1025 1030 37 -72 48 C +ATOM 2185 O ARG A 285 12.941 0.676 43.408 1.00 9.07 O +ANISOU 2185 O ARG A 285 1330 987 1127 69 -90 177 O +ATOM 2186 CB ARG A 285 14.344 -2.131 43.482 1.00 7.82 C +ANISOU 2186 CB ARG A 285 839 990 1142 19 88 69 C +ATOM 2187 CG ARG A 285 14.347 -3.624 43.269 1.00 10.13 C +ANISOU 2187 CG ARG A 285 1208 968 1674 193 317 275 C +ATOM 2188 CD ARG A 285 15.775 -4.077 43.084 1.00 12.92 C +ANISOU 2188 CD ARG A 285 1478 1632 1798 753 450 369 C +ATOM 2189 NE ARG A 285 16.098 -5.455 43.050 1.00 13.57 N +ANISOU 2189 NE ARG A 285 1255 1583 2317 447 -465 296 N +ATOM 2190 CZ ARG A 285 16.293 -6.233 44.105 1.00 11.73 C +ANISOU 2190 CZ ARG A 285 1242 1133 2082 469 -267 54 C +ATOM 2191 NH1 ARG A 285 16.164 -5.844 45.356 1.00 17.59 N +ANISOU 2191 NH1 ARG A 285 2901 1667 2116 -165 551 147 N +ATOM 2192 NH2 ARG A 285 16.603 -7.489 43.798 1.00 16.94 N +ANISOU 2192 NH2 ARG A 285 1711 968 3758 228 -859 -486 N +ATOM 2193 N ARG A 286 13.605 0.192 45.526 1.00 7.77 N +ANISOU 2193 N ARG A 286 986 986 982 -106 5 105 N +ATOM 2194 CA ARG A 286 14.058 1.525 45.880 1.00 8.37 C +ANISOU 2194 CA ARG A 286 1102 1031 1047 -137 67 57 C +ATOM 2195 C ARG A 286 15.546 1.468 46.226 1.00 8.20 C +ANISOU 2195 C ARG A 286 1186 988 942 -71 -50 0 C +ATOM 2196 O ARG A 286 15.937 0.617 47.025 1.00 9.38 O +ANISOU 2196 O ARG A 286 1379 1158 1027 -61 -165 96 O +ATOM 2197 CB ARG A 286 13.292 2.085 47.089 1.00 9.07 C +ANISOU 2197 CB ARG A 286 1273 1088 1085 145 27 71 C +ATOM 2198 CG ARG A 286 13.576 3.537 47.395 1.00 10.50 C +ANISOU 2198 CG ARG A 286 1421 1126 1442 149 -16 -105 C +ATOM 2199 CD ARG A 286 13.112 3.989 48.779 1.00 11.30 C +ANISOU 2199 CD ARG A 286 1496 1294 1503 269 133 -99 C +ATOM 2200 NE ARG A 286 14.152 3.650 49.739 1.00 11.36 N +ANISOU 2200 NE ARG A 286 1598 1565 1151 131 214 39 N +ATOM 2201 CZ ARG A 286 14.017 2.701 50.665 1.00 11.50 C +ANISOU 2201 CZ ARG A 286 1631 1646 1093 -325 58 -46 C +ATOM 2202 NH1 ARG A 286 12.928 1.970 50.851 1.00 11.77 N +ANISOU 2202 NH1 ARG A 286 1595 1370 1507 -192 134 -193 N +ATOM 2203 NH2 ARG A 286 15.090 2.505 51.406 1.00 12.68 N +ANISOU 2203 NH2 ARG A 286 1785 1729 1305 -221 -186 107 N +ATOM 2204 N ARG A 287 16.317 2.385 45.616 1.00 8.28 N +ANISOU 2204 N ARG A 287 1076 855 1214 -30 34 -18 N +ATOM 2205 CA ARG A 287 17.719 2.520 45.959 1.00 8.64 C +ANISOU 2205 CA ARG A 287 1173 1147 963 -103 -143 147 C +ATOM 2206 C ARG A 287 17.954 3.944 46.439 1.00 9.34 C +ANISOU 2206 C ARG A 287 1142 1229 1177 -123 -137 -17 C +ATOM 2207 O ARG A 287 17.543 4.931 45.795 1.00 9.64 O +ANISOU 2207 O ARG A 287 1338 1122 1202 -139 -195 -43 O +ATOM 2208 CB ARG A 287 18.633 2.225 44.774 1.00 9.83 C +ANISOU 2208 CB ARG A 287 1128 1405 1204 181 -21 56 C +ATOM 2209 CG ARG A 287 18.645 0.756 44.377 1.00 11.98 C +ANISOU 2209 CG ARG A 287 1727 1233 1593 456 220 194 C +ATOM 2210 CD ARG A 287 19.545 0.562 43.181 1.00 11.71 C +ANISOU 2210 CD ARG A 287 1432 1556 1464 180 15 -143 C +ATOM 2211 NE ARG A 287 20.928 0.607 43.465 1.00 16.20 N +ANISOU 2211 NE ARG A 287 1405 2755 1995 279 -165 -535 N +ATOM 2212 CZ ARG A 287 21.771 -0.462 43.549 1.00 15.69 C +ANISOU 2212 CZ ARG A 287 1493 2720 1749 224 -93 1071 C +ATOM 2213 NH1 ARG A 287 21.363 -1.728 43.385 1.00 15.46 N +ANISOU 2213 NH1 ARG A 287 1321 2829 1723 212 322 523 N +ATOM 2214 NH2 ARG A 287 23.008 -0.144 43.794 1.00 17.35 N +ANISOU 2214 NH2 ARG A 287 1372 2779 2442 171 245 909 N +ATOM 2215 N ASP A 288 18.667 4.025 47.586 1.00 10.36 N +ANISOU 2215 N ASP A 288 1647 1249 1042 -245 -133 5 N +ATOM 2216 CA ASP A 288 18.969 5.329 48.184 1.00 11.64 C +ANISOU 2216 CA ASP A 288 1791 1549 1084 -534 -128 -157 C +ATOM 2217 C ASP A 288 20.387 5.716 47.833 1.00 12.10 C +ANISOU 2217 C ASP A 288 1770 1827 999 -560 -180 181 C +ATOM 2218 O ASP A 288 21.322 4.984 48.126 1.00 13.65 O +ANISOU 2218 O ASP A 288 1727 1671 1788 -607 -158 440 O +ATOM 2219 CB ASP A 288 18.806 5.220 49.696 1.00 11.43 C +ANISOU 2219 CB ASP A 288 1678 1608 1056 -331 -25 -17 C +ATOM 2220 CG ASP A 288 17.434 4.841 50.144 1.00 12.18 C +ANISOU 2220 CG ASP A 288 1651 1518 1457 -306 -54 167 C +ATOM 2221 OD1 ASP A 288 16.458 5.083 49.383 1.00 12.39 O +ANISOU 2221 OD1 ASP A 288 1539 1899 1272 -184 2 -118 O +ATOM 2222 OD2 ASP A 288 17.292 4.305 51.259 1.00 14.22 O +ANISOU 2222 OD2 ASP A 288 1825 2317 1261 -514 4 159 O +ATOM 2223 N LEU A 289 20.551 6.835 47.131 1.00 10.79 N +ANISOU 2223 N LEU A 289 1607 1470 1023 -321 -38 -99 N +ATOM 2224 CA LEU A 289 21.835 7.281 46.575 1.00 12.78 C +ANISOU 2224 CA LEU A 289 1604 2093 1161 -611 -261 348 C +ATOM 2225 C LEU A 289 22.568 8.177 47.546 1.00 13.71 C +ANISOU 2225 C LEU A 289 1743 2054 1411 -587 -255 85 C +ATOM 2226 O LEU A 289 22.051 8.716 48.495 1.00 17.02 O +ANISOU 2226 O LEU A 289 2100 3182 1184 -1083 8 -142 O +ATOM 2227 CB LEU A 289 21.656 8.000 45.231 1.00 12.32 C +ANISOU 2227 CB LEU A 289 2122 1460 1098 -477 -264 196 C +ATOM 2228 CG LEU A 289 20.819 7.154 44.228 1.00 10.96 C +ANISOU 2228 CG LEU A 289 1715 1384 1064 -50 -195 31 C +ATOM 2229 CD1 LEU A 289 20.727 8.027 42.963 1.00 11.77 C +ANISOU 2229 CD1 LEU A 289 1542 1693 1235 -425 -388 286 C +ATOM 2230 CD2 LEU A 289 21.401 5.776 43.917 1.00 11.96 C +ANISOU 2230 CD2 LEU A 289 1552 1423 1571 -121 -283 -74 C +ATOM 2231 N SER A 290 23.865 8.302 47.311 1.00 14.84 N +ANISOU 2231 N SER A 290 1619 2286 1734 -537 -370 -26 N +ATOM 2232 CA SER A 290 24.754 8.904 48.272 1.00 17.96 C +ANISOU 2232 CA SER A 290 2025 3075 1725 -1115 -349 -84 C +ATOM 2233 C SER A 290 24.355 10.349 48.555 1.00 19.35 C +ANISOU 2233 C SER A 290 2781 2719 1851 -1694 -133 -70 C +ATOM 2234 O SER A 290 24.687 10.799 49.651 1.00 22.65 O +ANISOU 2234 O SER A 290 3456 3454 1698 -1187 -100 -320 O +ATOM 2235 CB SER A 290 26.215 8.850 47.800 1.00 21.64 C +ANISOU 2235 CB SER A 290 1907 4566 1747 -1308 -365 77 C +ATOM 2236 OG SER A 290 26.448 9.687 46.680 1.00 21.83 O +ANISOU 2236 OG SER A 290 2571 3669 2055 -1348 110 -202 O +ATOM 2237 N CYS A 291 23.765 11.051 47.606 1.00 18.78 N +ANISOU 2237 N CYS A 291 2594 2632 1907 -1172 -64 -290 N +ATOM 2238 CA CYS A 291 23.459 12.479 47.744 1.00 19.10 C +ANISOU 2238 CA CYS A 291 3117 2608 1531 -1300 614 -396 C +ATOM 2239 C CYS A 291 22.072 12.723 48.332 1.00 18.13 C +ANISOU 2239 C CYS A 291 2659 2687 1542 -1204 17 -426 C +ATOM 2240 O CYS A 291 21.561 13.845 48.253 1.00 26.44 O +ANISOU 2240 O CYS A 291 4407 2522 3117 -805 1569 -763 O +ATOM 2241 CB CYS A 291 23.635 13.142 46.355 1.00 20.90 C +ANISOU 2241 CB CYS A 291 3766 2773 1403 -1291 312 -328 C +ATOM 2242 SG CYS A 291 22.421 12.584 45.150 1.00 18.47 S +ANISOU 2242 SG CYS A 291 2665 2474 1879 -883 401 -345 S +ATOM 2243 N GLY A 292 21.487 11.660 48.887 1.00 17.62 N +ANISOU 2243 N GLY A 292 2494 2896 1305 -1261 44 -362 N +ATOM 2244 CA GLY A 292 20.202 11.722 49.586 1.00 19.68 C +ANISOU 2244 CA GLY A 292 2456 3552 1469 -1008 3 -203 C +ATOM 2245 C GLY A 292 18.990 11.706 48.668 1.00 19.57 C +ANISOU 2245 C GLY A 292 2621 3167 1646 -934 -222 265 C +ATOM 2246 O GLY A 292 17.918 12.114 49.138 1.00 28.05 O +ANISOU 2246 O GLY A 292 2507 5857 2295 -734 -206 -398 O +ATOM 2247 N ILE A 293 19.125 11.259 47.427 1.00 17.63 N +ANISOU 2247 N ILE A 293 3317 1520 1860 -770 -626 68 N +ATOM 2248 CA ILE A 293 18.076 11.079 46.434 1.00 16.24 C +ANISOU 2248 CA ILE A 293 2806 1379 1985 -556 -335 -81 C +ATOM 2249 C ILE A 293 17.726 9.583 46.482 1.00 14.17 C +ANISOU 2249 C ILE A 293 2312 1196 1877 -250 -191 -168 C +ATOM 2250 O ILE A 293 18.667 8.770 46.477 1.00 17.47 O +ANISOU 2250 O ILE A 293 2006 1482 3150 -345 -464 185 O +ATOM 2251 CB ILE A 293 18.507 11.530 45.032 1.00 16.13 C +ANISOU 2251 CB ILE A 293 2785 1443 1899 -592 -519 91 C +ATOM 2252 CG1 ILE A 293 18.811 13.063 45.012 1.00 20.87 C +ANISOU 2252 CG1 ILE A 293 3742 1371 2815 -581 443 -47 C +ATOM 2253 CG2 ILE A 293 17.545 11.175 43.925 1.00 16.58 C +ANISOU 2253 CG2 ILE A 293 1774 2354 2170 -347 -431 341 C +ATOM 2254 CD1 ILE A 293 19.349 13.532 43.653 1.00 24.94 C +ANISOU 2254 CD1 ILE A 293 4821 2088 2567 -499 -189 836 C +ATOM 2255 N SER A 294 16.484 9.177 46.513 1.00 11.67 N +ANISOU 2255 N SER A 294 2163 939 1333 44 -152 -24 N +ATOM 2256 CA SER A 294 16.084 7.820 46.244 1.00 11.20 C +ANISOU 2256 CA SER A 294 2002 1070 1186 -92 -34 -148 C +ATOM 2257 C SER A 294 15.538 7.703 44.819 1.00 9.41 C +ANISOU 2257 C SER A 294 1364 1009 1203 79 150 -5 C +ATOM 2258 O SER A 294 14.898 8.620 44.286 1.00 11.07 O +ANISOU 2258 O SER A 294 1877 956 1372 88 -102 -86 O +ATOM 2259 CB SER A 294 14.946 7.370 47.173 1.00 12.19 C +ANISOU 2259 CB SER A 294 1938 1518 1177 -17 -65 90 C +ATOM 2260 OG SER A 294 15.447 7.389 48.532 1.00 14.38 O +ANISOU 2260 OG SER A 294 2484 1847 1134 -119 -111 -259 O +ATOM 2261 N VAL A 295 15.805 6.530 44.225 1.00 8.41 N +ANISOU 2261 N VAL A 295 1214 973 1008 -26 -14 21 N +ATOM 2262 CA VAL A 295 15.310 6.224 42.862 1.00 8.38 C +ANISOU 2262 CA VAL A 295 1101 1091 991 -118 46 101 C +ATOM 2263 C VAL A 295 14.615 4.877 42.872 1.00 7.66 C +ANISOU 2263 C VAL A 295 1010 923 977 20 84 73 C +ATOM 2264 O VAL A 295 14.787 4.044 43.788 1.00 8.94 O +ANISOU 2264 O VAL A 295 1226 1030 1139 -9 51 151 O +ATOM 2265 CB VAL A 295 16.430 6.321 41.788 1.00 8.15 C +ANISOU 2265 CB VAL A 295 1077 921 1097 -83 63 134 C +ATOM 2266 CG1 VAL A 295 16.874 7.768 41.743 1.00 10.49 C +ANISOU 2266 CG1 VAL A 295 1587 905 1496 -347 29 112 C +ATOM 2267 CG2 VAL A 295 17.537 5.310 42.095 1.00 10.05 C +ANISOU 2267 CG2 VAL A 295 1066 1047 1707 14 188 166 C +ATOM 2268 N TYR A 296 13.781 4.647 41.872 1.00 7.76 N +ANISOU 2268 N TYR A 296 1094 804 1050 91 123 -27 N +ATOM 2269 CA TYR A 296 12.764 3.600 41.896 1.00 7.95 C +ANISOU 2269 CA TYR A 296 901 878 1243 91 138 -50 C +ATOM 2270 C TYR A 296 12.749 2.863 40.592 1.00 7.21 C +ANISOU 2270 C TYR A 296 833 704 1201 139 252 43 C +ATOM 2271 O TYR A 296 12.715 3.459 39.501 1.00 8.18 O +ANISOU 2271 O TYR A 296 1029 890 1189 61 197 97 O +ATOM 2272 CB TYR A 296 11.371 4.245 42.116 1.00 8.22 C +ANISOU 2272 CB TYR A 296 1067 958 1098 389 139 -30 C +ATOM 2273 CG TYR A 296 11.391 5.181 43.324 1.00 8.83 C +ANISOU 2273 CG TYR A 296 1285 988 1083 179 179 57 C +ATOM 2274 CD1 TYR A 296 11.079 4.665 44.596 1.00 9.92 C +ANISOU 2274 CD1 TYR A 296 1575 1133 1061 211 252 65 C +ATOM 2275 CD2 TYR A 296 11.754 6.499 43.229 1.00 8.57 C +ANISOU 2275 CD2 TYR A 296 1063 931 1261 163 64 22 C +ATOM 2276 CE1 TYR A 296 11.104 5.500 45.703 1.00 10.96 C +ANISOU 2276 CE1 TYR A 296 1358 1652 1155 -125 183 -106 C +ATOM 2277 CE2 TYR A 296 11.802 7.357 44.299 1.00 10.24 C +ANISOU 2277 CE2 TYR A 296 1253 1178 1460 241 257 -186 C +ATOM 2278 CZ TYR A 296 11.469 6.837 45.559 1.00 11.10 C +ANISOU 2278 CZ TYR A 296 1354 1540 1324 -158 214 -376 C +ATOM 2279 OH TYR A 296 11.481 7.628 46.690 1.00 15.56 O +ANISOU 2279 OH TYR A 296 1916 2372 1624 391 -1 -996 O +ATOM 2280 N GLY A 297 12.728 1.517 40.629 1.00 7.19 N +ANISOU 2280 N GLY A 297 999 864 869 2 162 13 N +ATOM 2281 CA GLY A 297 12.798 0.763 39.386 1.00 7.47 C +ANISOU 2281 CA GLY A 297 1069 794 975 207 135 -35 C +ATOM 2282 C GLY A 297 13.188 -0.676 39.683 1.00 6.21 C +ANISOU 2282 C GLY A 297 749 860 749 150 72 157 C +ATOM 2283 O GLY A 297 12.665 -1.306 40.599 1.00 7.44 O +ANISOU 2283 O GLY A 297 953 920 956 -79 100 85 O +ATOM 2284 N HIS A 298 14.077 -1.235 38.887 1.00 6.55 N +ANISOU 2284 N HIS A 298 828 723 938 118 36 2 N +ATOM 2285 CA HIS A 298 14.458 -2.615 39.125 1.00 6.51 C +ANISOU 2285 CA HIS A 298 725 691 1058 47 96 22 C +ATOM 2286 C HIS A 298 15.788 -2.888 38.447 1.00 6.04 C +ANISOU 2286 C HIS A 298 765 727 802 77 67 28 C +ATOM 2287 O HIS A 298 16.149 -2.254 37.453 1.00 7.25 O +ANISOU 2287 O HIS A 298 818 912 1026 79 91 133 O +ATOM 2288 CB HIS A 298 13.364 -3.596 38.619 1.00 7.14 C +ANISOU 2288 CB HIS A 298 867 784 1061 -39 -119 130 C +ATOM 2289 CG HIS A 298 13.166 -4.828 39.452 1.00 6.63 C +ANISOU 2289 CG HIS A 298 671 882 968 -7 51 122 C +ATOM 2290 ND1 HIS A 298 14.064 -5.900 39.551 1.00 6.95 N +ANISOU 2290 ND1 HIS A 298 949 705 987 -29 -10 89 N +ATOM 2291 CD2 HIS A 298 12.166 -5.148 40.336 1.00 7.30 C +ANISOU 2291 CD2 HIS A 298 870 841 1064 -38 36 134 C +ATOM 2292 CE1 HIS A 298 13.542 -6.804 40.407 1.00 7.30 C +ANISOU 2292 CE1 HIS A 298 959 853 960 45 117 58 C +ATOM 2293 NE2 HIS A 298 12.401 -6.377 40.898 1.00 7.58 N +ANISOU 2293 NE2 HIS A 298 975 867 1039 13 86 128 N +ATOM 2294 N THR A 299 16.487 -3.879 38.975 1.00 7.25 N +ANISOU 2294 N THR A 299 839 751 1164 169 119 92 N +ATOM 2295 CA THR A 299 17.653 -4.470 38.365 1.00 6.83 C +ANISOU 2295 CA THR A 299 795 689 1110 120 113 67 C +ATOM 2296 C THR A 299 17.313 -5.801 37.683 1.00 6.73 C +ANISOU 2296 C THR A 299 760 670 1125 146 144 180 C +ATOM 2297 O THR A 299 16.300 -6.439 38.010 1.00 7.38 O +ANISOU 2297 O THR A 299 820 749 1236 -6 176 113 O +ATOM 2298 CB THR A 299 18.724 -4.740 39.462 1.00 8.03 C +ANISOU 2298 CB THR A 299 809 1001 1240 116 47 31 C +ATOM 2299 OG1 THR A 299 18.066 -5.383 40.568 1.00 10.22 O +ANISOU 2299 OG1 THR A 299 1393 1343 1146 131 -66 274 O +ATOM 2300 CG2 THR A 299 19.325 -3.396 39.933 1.00 11.01 C +ANISOU 2300 CG2 THR A 299 1350 1059 1774 70 -494 -96 C +ATOM 2301 N GLY A 300 18.177 -6.204 36.792 1.00 6.38 N +ANISOU 2301 N GLY A 300 766 641 1016 -3 50 54 N +ATOM 2302 CA GLY A 300 18.074 -7.512 36.174 1.00 7.13 C +ANISOU 2302 CA GLY A 300 718 701 1290 -8 157 -10 C +ATOM 2303 C GLY A 300 19.420 -8.140 35.948 1.00 6.72 C +ANISOU 2303 C GLY A 300 724 774 1057 81 -39 35 C +ATOM 2304 O GLY A 300 20.392 -7.496 35.575 1.00 6.98 O +ANISOU 2304 O GLY A 300 830 775 1048 57 56 100 O +ATOM 2305 N THR A 301 19.434 -9.470 36.140 1.00 6.83 N +ANISOU 2305 N THR A 301 717 758 1119 -11 33 69 N +ATOM 2306 CA THR A 301 20.521 -10.348 35.782 1.00 7.84 C +ANISOU 2306 CA THR A 301 1087 695 1197 85 192 -79 C +ATOM 2307 C THR A 301 19.883 -11.518 35.050 1.00 7.95 C +ANISOU 2307 C THR A 301 1090 727 1205 -8 173 39 C +ATOM 2308 O THR A 301 19.064 -12.280 35.607 1.00 9.23 O +ANISOU 2308 O THR A 301 1306 745 1455 -124 313 37 O +ATOM 2309 CB THR A 301 21.280 -10.924 36.988 1.00 11.09 C +ANISOU 2309 CB THR A 301 1366 1075 1771 460 -338 -119 C +ATOM 2310 OG1 THR A 301 21.924 -9.919 37.704 1.00 11.55 O +ANISOU 2310 OG1 THR A 301 1291 1416 1681 -256 -40 188 O +ATOM 2311 CG2 THR A 301 22.339 -11.898 36.438 1.00 13.13 C +ANISOU 2311 CG2 THR A 301 1224 1948 1815 633 -292 -232 C +ATOM 2312 N VAL A 302 20.215 -11.674 33.790 1.00 7.21 N +ANISOU 2312 N VAL A 302 1000 609 1129 73 9 67 N +ATOM 2313 CA VAL A 302 19.871 -12.858 33.019 1.00 7.27 C +ANISOU 2313 CA VAL A 302 832 652 1278 56 132 -4 C +ATOM 2314 C VAL A 302 21.156 -13.188 32.273 1.00 7.55 C +ANISOU 2314 C VAL A 302 855 780 1234 -34 122 15 C +ATOM 2315 O VAL A 302 22.040 -12.312 32.179 1.00 8.72 O +ANISOU 2315 O VAL A 302 1030 830 1455 -203 355 -111 O +ATOM 2316 CB VAL A 302 18.616 -12.649 32.169 1.00 8.25 C +ANISOU 2316 CB VAL A 302 834 913 1389 -125 17 151 C +ATOM 2317 CG1 VAL A 302 18.785 -11.447 31.232 1.00 9.99 C +ANISOU 2317 CG1 VAL A 302 1375 1223 1197 15 259 322 C +ATOM 2318 CG2 VAL A 302 18.216 -13.891 31.373 1.00 10.72 C +ANISOU 2318 CG2 VAL A 302 1047 1036 1990 -108 -405 13 C +ATOM 2319 N GLN A 303 21.352 -14.410 31.823 1.00 6.80 N +ANISOU 2319 N GLN A 303 720 714 1151 35 109 70 N +ATOM 2320 CA GLN A 303 22.710 -14.804 31.419 1.00 6.80 C +ANISOU 2320 CA GLN A 303 702 785 1099 -26 56 52 C +ATOM 2321 C GLN A 303 23.231 -13.891 30.322 1.00 6.10 C +ANISOU 2321 C GLN A 303 690 686 943 -13 -3 -60 C +ATOM 2322 O GLN A 303 22.642 -13.776 29.256 1.00 6.95 O +ANISOU 2322 O GLN A 303 822 849 969 15 21 78 O +ATOM 2323 CB GLN A 303 22.742 -16.277 30.971 1.00 7.16 C +ANISOU 2323 CB GLN A 303 812 755 1154 -65 -7 105 C +ATOM 2324 CG GLN A 303 22.591 -17.270 32.108 1.00 7.46 C +ANISOU 2324 CG GLN A 303 794 832 1208 -2 55 212 C +ATOM 2325 CD GLN A 303 21.181 -17.572 32.523 1.00 7.38 C +ANISOU 2325 CD GLN A 303 822 792 1189 -135 20 27 C +ATOM 2326 OE1 GLN A 303 20.185 -16.991 32.031 1.00 7.76 O +ANISOU 2326 OE1 GLN A 303 813 885 1251 -126 -29 -23 O +ATOM 2327 NE2 GLN A 303 21.056 -18.525 33.420 1.00 9.50 N +ANISOU 2327 NE2 GLN A 303 935 1094 1582 -79 206 295 N +ATOM 2328 N GLY A 304 24.363 -13.261 30.650 1.00 6.30 N +ANISOU 2328 N GLY A 304 744 634 1015 -52 95 -65 N +ATOM 2329 CA GLY A 304 25.004 -12.339 29.741 1.00 6.23 C +ANISOU 2329 CA GLY A 304 629 721 1016 32 31 97 C +ATOM 2330 C GLY A 304 24.545 -10.911 29.739 1.00 5.80 C +ANISOU 2330 C GLY A 304 547 730 926 -50 0 -124 C +ATOM 2331 O GLY A 304 25.062 -10.146 28.933 1.00 6.75 O +ANISOU 2331 O GLY A 304 746 642 1176 -211 91 -64 O +ATOM 2332 N TYR A 305 23.606 -10.530 30.636 1.00 5.90 N +ANISOU 2332 N TYR A 305 565 618 1058 -44 11 -113 N +ATOM 2333 CA TYR A 305 23.077 -9.150 30.676 1.00 6.00 C +ANISOU 2333 CA TYR A 305 638 641 1000 10 80 29 C +ATOM 2334 C TYR A 305 22.825 -8.697 32.085 1.00 5.71 C +ANISOU 2334 C TYR A 305 566 557 1048 124 23 37 C +ATOM 2335 O TYR A 305 21.989 -9.286 32.803 1.00 6.84 O +ANISOU 2335 O TYR A 305 716 862 1021 -69 144 -3 O +ATOM 2336 CB TYR A 305 21.789 -9.066 29.900 1.00 7.00 C +ANISOU 2336 CB TYR A 305 838 862 959 94 -27 120 C +ATOM 2337 CG TYR A 305 21.768 -9.504 28.464 1.00 6.93 C +ANISOU 2337 CG TYR A 305 780 860 993 -71 -94 110 C +ATOM 2338 CD1 TYR A 305 21.394 -10.800 28.116 1.00 6.58 C +ANISOU 2338 CD1 TYR A 305 560 872 1067 54 33 2 C +ATOM 2339 CD2 TYR A 305 22.083 -8.593 27.445 1.00 7.21 C +ANISOU 2339 CD2 TYR A 305 960 817 962 187 -100 161 C +ATOM 2340 CE1 TYR A 305 21.359 -11.186 26.777 1.00 6.65 C +ANISOU 2340 CE1 TYR A 305 643 790 1094 -32 115 -36 C +ATOM 2341 CE2 TYR A 305 22.027 -8.977 26.122 1.00 7.19 C +ANISOU 2341 CE2 TYR A 305 1001 771 958 -164 -118 159 C +ATOM 2342 CZ TYR A 305 21.670 -10.270 25.790 1.00 6.71 C +ANISOU 2342 CZ TYR A 305 684 856 1009 9 -82 -3 C +ATOM 2343 OH TYR A 305 21.584 -10.685 24.483 1.00 7.37 O +ANISOU 2343 OH TYR A 305 834 861 1105 -14 -45 -77 O +ATOM 2344 N TYR A 306 23.422 -7.568 32.435 1.00 5.88 N +ANISOU 2344 N TYR A 306 693 642 898 -22 2 26 N +ATOM 2345 CA TYR A 306 23.118 -6.846 33.678 1.00 6.46 C +ANISOU 2345 CA TYR A 306 720 738 997 100 -64 -88 C +ATOM 2346 C TYR A 306 22.410 -5.526 33.339 1.00 5.98 C +ANISOU 2346 C TYR A 306 635 792 847 5 -29 31 C +ATOM 2347 O TYR A 306 22.960 -4.702 32.602 1.00 6.54 O +ANISOU 2347 O TYR A 306 668 753 1064 -14 82 5 O +ATOM 2348 CB TYR A 306 24.385 -6.493 34.416 1.00 7.03 C +ANISOU 2348 CB TYR A 306 779 720 1170 45 -200 -55 C +ATOM 2349 CG TYR A 306 25.088 -7.550 35.200 1.00 5.94 C +ANISOU 2349 CG TYR A 306 681 644 931 75 -7 -61 C +ATOM 2350 CD1 TYR A 306 24.436 -8.437 36.038 1.00 7.77 C +ANISOU 2350 CD1 TYR A 306 648 852 1452 -96 -104 141 C +ATOM 2351 CD2 TYR A 306 26.491 -7.628 35.153 1.00 6.72 C +ANISOU 2351 CD2 TYR A 306 665 894 995 10 -114 -97 C +ATOM 2352 CE1 TYR A 306 25.116 -9.393 36.785 1.00 7.55 C +ANISOU 2352 CE1 TYR A 306 751 860 1257 -40 -65 90 C +ATOM 2353 CE2 TYR A 306 27.183 -8.571 35.915 1.00 7.15 C +ANISOU 2353 CE2 TYR A 306 746 890 1082 -84 -194 33 C +ATOM 2354 CZ TYR A 306 26.493 -9.452 36.726 1.00 7.60 C +ANISOU 2354 CZ TYR A 306 794 993 1100 32 -147 53 C +ATOM 2355 OH TYR A 306 27.228 -10.370 37.483 1.00 8.48 O +ANISOU 2355 OH TYR A 306 882 997 1343 120 -146 173 O +ATOM 2356 N THR A 307 21.238 -5.319 33.925 1.00 5.85 N +ANISOU 2356 N THR A 307 636 621 966 -21 -21 -46 N +ATOM 2357 CA THR A 307 20.425 -4.131 33.679 1.00 6.50 C +ANISOU 2357 CA THR A 307 746 711 1013 66 -43 40 C +ATOM 2358 C THR A 307 20.164 -3.375 34.971 1.00 6.54 C +ANISOU 2358 C THR A 307 807 659 1018 93 -18 47 C +ATOM 2359 O THR A 307 19.841 -3.990 36.019 1.00 6.28 O +ANISOU 2359 O THR A 307 710 712 965 21 -32 80 O +ATOM 2360 CB THR A 307 19.041 -4.550 33.101 1.00 6.36 C +ANISOU 2360 CB THR A 307 738 765 915 31 -26 48 C +ATOM 2361 OG1 THR A 307 19.229 -5.284 31.902 1.00 6.90 O +ANISOU 2361 OG1 THR A 307 797 818 1007 75 -2 10 O +ATOM 2362 CG2 THR A 307 18.185 -3.325 32.752 1.00 7.17 C +ANISOU 2362 CG2 THR A 307 847 810 1069 122 -60 55 C +ATOM 2363 N TYR A 308 20.240 -2.049 34.921 1.00 6.47 N +ANISOU 2363 N TYR A 308 696 724 1040 81 -21 17 N +ATOM 2364 CA TYR A 308 19.701 -1.168 35.939 1.00 6.73 C +ANISOU 2364 CA TYR A 308 866 611 1081 113 -30 -68 C +ATOM 2365 C TYR A 308 18.688 -0.238 35.279 1.00 6.22 C +ANISOU 2365 C TYR A 308 710 717 936 -28 67 9 C +ATOM 2366 O TYR A 308 19.021 0.348 34.250 1.00 7.57 O +ANISOU 2366 O TYR A 308 826 897 1154 109 238 237 O +ATOM 2367 CB TYR A 308 20.773 -0.241 36.578 1.00 7.83 C +ANISOU 2367 CB TYR A 308 902 849 1226 -15 -177 -11 C +ATOM 2368 CG TYR A 308 21.740 -0.975 37.484 1.00 7.65 C +ANISOU 2368 CG TYR A 308 938 738 1233 -54 -76 -49 C +ATOM 2369 CD1 TYR A 308 22.811 -1.753 36.954 1.00 8.23 C +ANISOU 2369 CD1 TYR A 308 815 1031 1281 102 -150 54 C +ATOM 2370 CD2 TYR A 308 21.594 -0.923 38.870 1.00 8.99 C +ANISOU 2370 CD2 TYR A 308 1109 1144 1163 36 -160 54 C +ATOM 2371 CE1 TYR A 308 23.690 -2.433 37.785 1.00 8.69 C +ANISOU 2371 CE1 TYR A 308 1076 945 1280 -31 -309 18 C +ATOM 2372 CE2 TYR A 308 22.495 -1.596 39.702 1.00 9.23 C +ANISOU 2372 CE2 TYR A 308 888 1199 1420 -30 -193 96 C +ATOM 2373 CZ TYR A 308 23.520 -2.344 39.150 1.00 8.71 C +ANISOU 2373 CZ TYR A 308 941 1107 1263 -77 -229 131 C +ATOM 2374 OH TYR A 308 24.365 -2.989 40.012 1.00 9.39 O +ANISOU 2374 OH TYR A 308 1072 1213 1283 67 -295 130 O +ATOM 2375 N ALA A 309 17.487 -0.099 35.821 1.00 6.02 N +ANISOU 2375 N ALA A 309 747 625 914 112 34 91 N +ATOM 2376 CA ALA A 309 16.503 0.795 35.227 1.00 6.53 C +ANISOU 2376 CA ALA A 309 836 839 807 227 -34 -4 C +ATOM 2377 C ALA A 309 15.757 1.466 36.374 1.00 6.05 C +ANISOU 2377 C ALA A 309 772 619 907 187 5 133 C +ATOM 2378 O ALA A 309 15.014 0.809 37.099 1.00 6.79 O +ANISOU 2378 O ALA A 309 830 708 1043 84 129 76 O +ATOM 2379 CB ALA A 309 15.527 0.063 34.334 1.00 7.89 C +ANISOU 2379 CB ALA A 309 928 1019 1051 115 -96 -198 C +ATOM 2380 N PHE A 310 16.004 2.788 36.546 1.00 6.43 N +ANISOU 2380 N PHE A 310 862 685 897 122 23 44 N +ATOM 2381 CA PHE A 310 15.483 3.509 37.701 1.00 7.19 C +ANISOU 2381 CA PHE A 310 1053 722 955 166 100 8 C +ATOM 2382 C PHE A 310 15.036 4.918 37.309 1.00 7.16 C +ANISOU 2382 C PHE A 310 984 773 965 37 135 62 C +ATOM 2383 O PHE A 310 15.633 5.539 36.447 1.00 8.76 O +ANISOU 2383 O PHE A 310 1401 814 1113 86 335 94 O +ATOM 2384 CB PHE A 310 16.526 3.608 38.833 1.00 7.91 C +ANISOU 2384 CB PHE A 310 1174 875 955 94 -23 13 C +ATOM 2385 CG PHE A 310 16.748 2.267 39.524 1.00 7.27 C +ANISOU 2385 CG PHE A 310 803 945 1013 43 -97 24 C +ATOM 2386 CD1 PHE A 310 17.608 1.312 39.001 1.00 7.16 C +ANISOU 2386 CD1 PHE A 310 812 819 1089 -15 -17 22 C +ATOM 2387 CD2 PHE A 310 16.045 1.988 40.715 1.00 7.68 C +ANISOU 2387 CD2 PHE A 310 838 830 1251 -59 21 52 C +ATOM 2388 CE1 PHE A 310 17.747 0.073 39.619 1.00 7.98 C +ANISOU 2388 CE1 PHE A 310 916 988 1129 -4 -89 133 C +ATOM 2389 CE2 PHE A 310 16.204 0.750 41.341 1.00 8.40 C +ANISOU 2389 CE2 PHE A 310 1033 884 1276 -14 -3 31 C +ATOM 2390 CZ PHE A 310 17.039 -0.204 40.772 1.00 7.32 C +ANISOU 2390 CZ PHE A 310 844 921 1018 39 -176 107 C +ATOM 2391 N ALA A 311 14.041 5.425 37.999 1.00 7.51 N +ANISOU 2391 N ALA A 311 922 651 1280 119 123 202 N +ATOM 2392 CA ALA A 311 13.533 6.776 37.789 1.00 7.43 C +ANISOU 2392 CA ALA A 311 1054 712 1058 165 58 125 C +ATOM 2393 C ALA A 311 13.412 7.501 39.119 1.00 7.93 C +ANISOU 2393 C ALA A 311 1036 834 1144 13 136 -15 C +ATOM 2394 O ALA A 311 13.315 6.909 40.214 1.00 8.13 O +ANISOU 2394 O ALA A 311 1064 930 1094 129 216 60 O +ATOM 2395 CB ALA A 311 12.161 6.700 37.081 1.00 9.91 C +ANISOU 2395 CB ALA A 311 1378 1079 1310 450 -231 41 C +ATOM 2396 N SER A 312 13.385 8.828 39.024 1.00 8.10 N +ANISOU 2396 N SER A 312 1087 844 1146 99 147 -29 N +ATOM 2397 CA SER A 312 13.100 9.670 40.212 1.00 9.23 C +ANISOU 2397 CA SER A 312 1416 858 1232 44 159 -155 C +ATOM 2398 C SER A 312 11.665 9.496 40.627 1.00 9.19 C +ANISOU 2398 C SER A 312 1321 850 1321 220 82 -182 C +ATOM 2399 O SER A 312 10.833 8.954 39.881 1.00 9.06 O +ANISOU 2399 O SER A 312 1322 882 1237 115 304 -71 O +ATOM 2400 CB SER A 312 13.401 11.142 39.902 1.00 9.57 C +ANISOU 2400 CB SER A 312 1429 829 1377 209 132 -55 C +ATOM 2401 OG SER A 312 12.669 11.536 38.735 1.00 10.67 O +ANISOU 2401 OG SER A 312 1599 1035 1421 182 156 60 O +ATOM 2402 N LYS A 313 11.334 10.008 41.818 1.00 9.94 N +ANISOU 2402 N LYS A 313 1277 1262 1237 287 111 -69 N +ATOM 2403 CA LYS A 313 9.986 9.793 42.386 1.00 11.52 C +ANISOU 2403 CA LYS A 313 1403 1549 1426 114 127 75 C +ATOM 2404 C LYS A 313 8.842 10.264 41.487 1.00 10.74 C +ANISOU 2404 C LYS A 313 1221 1404 1455 325 410 70 C +ATOM 2405 O LYS A 313 7.774 9.660 41.429 1.00 12.11 O +ANISOU 2405 O LYS A 313 1224 1632 1747 203 367 66 O +ATOM 2406 CB LYS A 313 9.877 10.542 43.734 1.00 26.06 C +ANISOU 2406 CB LYS A 313 3497 5062 1342 3419 -245 -786 C +ATOM 2407 CG LYS A 313 8.596 10.283 44.457 1.00 27.82 C +ANISOU 2407 CG LYS A 313 3462 5263 1846 3179 -342 -1727 C +ATOM 2408 CD LYS A 313 8.512 9.014 45.220 1.00 37.71 C +ANISOU 2408 CD LYS A 313 3696 5183 5449 2592 819 -379 C +ATOM 2409 CE LYS A 313 7.345 8.882 46.181 1.00 45.58 C +ANISOU 2409 CE LYS A 313 6130 4449 6738 2919 1243 -686 C +ATOM 2410 NZ LYS A 313 7.786 8.766 47.593 1.00 46.09 N +ANISOU 2410 NZ LYS A 313 6194 4174 7146 1278 1930 -1197 N +ATOM 2411 N ASP A 314 9.085 11.381 40.777 1.00 10.49 N +ANISOU 2411 N ASP A 314 1406 1295 1285 332 364 8 N +ATOM 2412 CA ASP A 314 8.037 11.929 39.911 1.00 11.28 C +ANISOU 2412 CA ASP A 314 1478 1396 1411 398 298 48 C +ATOM 2413 C ASP A 314 8.171 11.496 38.452 1.00 9.55 C +ANISOU 2413 C ASP A 314 1174 1035 1419 139 230 98 C +ATOM 2414 O ASP A 314 7.400 11.928 37.603 1.00 11.33 O +ANISOU 2414 O ASP A 314 1313 1349 1641 382 113 115 O +ATOM 2415 CB ASP A 314 7.989 13.456 40.034 1.00 15.20 C +ANISOU 2415 CB ASP A 314 2715 1468 1592 823 -51 -197 C +ATOM 2416 CG ASP A 314 9.255 14.148 39.550 1.00 18.42 C +ANISOU 2416 CG ASP A 314 3712 1015 2271 72 16 -23 C +ATOM 2417 OD1 ASP A 314 10.119 13.466 38.943 1.00 15.53 O +ANISOU 2417 OD1 ASP A 314 2883 1139 1877 -579 158 -18 O +ATOM 2418 OD2 ASP A 314 9.416 15.381 39.781 1.00 28.67 O +ANISOU 2418 OD2 ASP A 314 6721 1059 3113 -303 614 -357 O +ATOM 2419 N GLY A 315 9.122 10.591 38.175 1.00 9.03 N +ANISOU 2419 N GLY A 315 1234 967 1229 132 248 83 N +ATOM 2420 CA GLY A 315 9.329 10.063 36.846 1.00 9.63 C +ANISOU 2420 CA GLY A 315 1236 1044 1379 -137 203 -154 C +ATOM 2421 C GLY A 315 10.026 11.024 35.881 1.00 9.13 C +ANISOU 2421 C GLY A 315 1036 1130 1303 39 250 -27 C +ATOM 2422 O GLY A 315 10.263 10.664 34.758 1.00 11.55 O +ANISOU 2422 O GLY A 315 1647 1413 1327 15 213 -61 O +ATOM 2423 N LYS A 316 10.420 12.230 36.325 1.00 8.67 N +ANISOU 2423 N LYS A 316 1008 908 1377 172 92 173 N +ATOM 2424 CA LYS A 316 10.957 13.182 35.341 1.00 9.90 C +ANISOU 2424 CA LYS A 316 1123 1131 1509 169 293 275 C +ATOM 2425 C LYS A 316 12.366 12.849 34.897 1.00 8.08 C +ANISOU 2425 C LYS A 316 1041 818 1212 31 39 119 C +ATOM 2426 O LYS A 316 12.724 13.291 33.793 1.00 11.04 O +ANISOU 2426 O LYS A 316 1241 1522 1430 418 301 543 O +ATOM 2427 CB LYS A 316 10.881 14.595 35.941 1.00 13.20 C +ANISOU 2427 CB LYS A 316 1612 998 2404 296 804 286 C +ATOM 2428 CG LYS A 316 9.423 15.120 35.976 1.00 19.03 C +ANISOU 2428 CG LYS A 316 2023 2039 3170 1047 1159 532 C +ATOM 2429 CD LYS A 316 9.586 16.610 36.296 1.00 31.43 C +ANISOU 2429 CD LYS A 316 4628 1929 5383 1880 672 132 C +ATOM 2430 CE LYS A 316 8.458 17.479 36.748 1.00 39.64 C +ANISOU 2430 CE LYS A 316 5486 2756 6820 2009 1776 -436 C +ATOM 2431 NZ LYS A 316 9.016 18.842 37.097 1.00 39.81 N +ANISOU 2431 NZ LYS A 316 6818 2639 5668 2557 69 -647 N +ATOM 2432 N ARG A 317 13.153 12.139 35.686 1.00 7.84 N +ANISOU 2432 N ARG A 317 979 891 1109 104 152 111 N +ATOM 2433 CA ARG A 317 14.453 11.670 35.199 1.00 7.38 C +ANISOU 2433 CA ARG A 317 1093 710 1002 166 150 27 C +ATOM 2434 C ARG A 317 14.472 10.158 35.303 1.00 6.85 C +ANISOU 2434 C ARG A 317 856 835 910 17 137 58 C +ATOM 2435 O ARG A 317 14.139 9.602 36.344 1.00 8.79 O +ANISOU 2435 O ARG A 317 1283 871 1186 72 287 168 O +ATOM 2436 CB ARG A 317 15.631 12.250 35.986 1.00 8.08 C +ANISOU 2436 CB ARG A 317 1084 767 1218 -37 170 32 C +ATOM 2437 CG ARG A 317 16.974 11.797 35.441 1.00 7.84 C +ANISOU 2437 CG ARG A 317 1067 715 1198 40 -8 112 C +ATOM 2438 CD ARG A 317 18.214 12.405 36.091 1.00 9.16 C +ANISOU 2438 CD ARG A 317 1121 878 1482 -59 -47 -57 C +ATOM 2439 NE ARG A 317 18.203 13.859 35.936 1.00 8.54 N +ANISOU 2439 NE ARG A 317 1068 905 1273 -105 -62 224 N +ATOM 2440 CZ ARG A 317 18.969 14.698 36.598 1.00 8.18 C +ANISOU 2440 CZ ARG A 317 1034 881 1191 15 -29 14 C +ATOM 2441 NH1 ARG A 317 19.883 14.232 37.431 1.00 9.24 N +ANISOU 2441 NH1 ARG A 317 946 1285 1280 156 -13 -26 N +ATOM 2442 NH2 ARG A 317 18.814 16.016 36.438 1.00 9.88 N +ANISOU 2442 NH2 ARG A 317 1427 922 1405 65 43 65 N +ATOM 2443 N SER A 318 14.896 9.489 34.253 1.00 7.53 N +ANISOU 2443 N SER A 318 953 710 1198 130 185 -33 N +ATOM 2444 CA SER A 318 15.002 8.030 34.248 1.00 7.78 C +ANISOU 2444 CA SER A 318 933 623 1401 60 101 136 C +ATOM 2445 C SER A 318 16.314 7.656 33.626 1.00 8.31 C +ANISOU 2445 C SER A 318 1179 731 1248 241 266 140 C +ATOM 2446 O SER A 318 16.863 8.398 32.781 1.00 9.93 O +ANISOU 2446 O SER A 318 1352 1027 1395 319 410 368 O +ATOM 2447 CB SER A 318 13.836 7.397 33.507 1.00 9.73 C +ANISOU 2447 CB SER A 318 1273 1051 1373 -85 60 -216 C +ATOM 2448 OG SER A 318 13.773 7.870 32.164 1.00 13.28 O +ANISOU 2448 OG SER A 318 2179 1451 1415 -162 -173 -143 O +ATOM 2449 N VAL A 319 16.846 6.522 34.068 1.00 7.17 N +ANISOU 2449 N VAL A 319 918 693 1114 73 159 37 N +ATOM 2450 CA VAL A 319 18.132 6.034 33.629 1.00 7.00 C +ANISOU 2450 CA VAL A 319 822 754 1083 58 171 38 C +ATOM 2451 C VAL A 319 18.048 4.534 33.431 1.00 6.76 C +ANISOU 2451 C VAL A 319 771 731 1066 86 126 55 C +ATOM 2452 O VAL A 319 17.552 3.818 34.333 1.00 7.97 O +ANISOU 2452 O VAL A 319 1045 758 1224 145 292 124 O +ATOM 2453 CB AVAL A 319 19.172 6.301 34.731 0.77 8.54 C +ANISOU 2453 CB AVAL A 319 981 791 1473 14 -87 -49 C +ATOM 2454 CB BVAL A 319 19.282 6.418 34.574 0.23 9.08 C +ANISOU 2454 CB BVAL A 319 936 1193 1320 -187 58 -69 C +ATOM 2455 CG1AVAL A 319 20.553 5.772 34.269 0.77 10.05 C +ANISOU 2455 CG1AVAL A 319 766 1443 1612 -134 -256 -459 C +ATOM 2456 CG1BVAL A 319 19.337 7.914 34.878 0.23 11.92 C +ANISOU 2456 CG1BVAL A 319 2201 1214 1113 181 -1120 -29 C +ATOM 2457 CG2AVAL A 319 19.213 7.779 35.146 0.77 11.31 C +ANISOU 2457 CG2AVAL A 319 1860 911 1527 -314 324 -153 C +ATOM 2458 CG2BVAL A 319 19.153 5.606 35.848 0.23 7.34 C +ANISOU 2458 CG2BVAL A 319 800 1044 943 142 129 -379 C +ATOM 2459 N THR A 320 18.567 4.056 32.320 1.00 6.18 N +ANISOU 2459 N THR A 320 666 616 1065 19 26 63 N +ATOM 2460 CA THR A 320 18.728 2.648 32.081 1.00 6.02 C +ANISOU 2460 CA THR A 320 772 515 1002 40 90 89 C +ATOM 2461 C THR A 320 20.159 2.383 31.625 1.00 6.33 C +ANISOU 2461 C THR A 320 770 463 1173 -130 71 -16 C +ATOM 2462 O THR A 320 20.635 3.013 30.693 1.00 7.36 O +ANISOU 2462 O THR A 320 796 710 1290 62 198 198 O +ATOM 2463 CB THR A 320 17.746 2.110 31.030 1.00 6.74 C +ANISOU 2463 CB THR A 320 703 709 1148 -64 39 -27 C +ATOM 2464 OG1 THR A 320 16.400 2.285 31.514 1.00 8.16 O +ANISOU 2464 OG1 THR A 320 695 981 1423 -20 20 111 O +ATOM 2465 CG2 THR A 320 17.911 0.612 30.845 1.00 7.11 C +ANISOU 2465 CG2 THR A 320 821 724 1156 -156 32 68 C +ATOM 2466 N ALA A 321 20.826 1.429 32.289 1.00 6.52 N +ANISOU 2466 N ALA A 321 747 585 1143 4 207 56 N +ATOM 2467 CA ALA A 321 22.178 1.047 32.010 1.00 6.91 C +ANISOU 2467 CA ALA A 321 783 740 1104 87 85 -6 C +ATOM 2468 C ALA A 321 22.204 -0.471 31.768 1.00 6.69 C +ANISOU 2468 C ALA A 321 700 818 1026 109 30 -12 C +ATOM 2469 O ALA A 321 21.471 -1.247 32.400 1.00 7.49 O +ANISOU 2469 O ALA A 321 910 679 1257 -8 192 42 O +ATOM 2470 CB ALA A 321 23.121 1.381 33.186 1.00 8.57 C +ANISOU 2470 CB ALA A 321 1080 621 1556 19 -206 -161 C +ATOM 2471 N LEU A 322 23.084 -0.897 30.862 1.00 6.45 N +ANISOU 2471 N LEU A 322 664 635 1150 103 74 38 N +ATOM 2472 CA LEU A 322 23.178 -2.297 30.437 1.00 6.06 C +ANISOU 2472 CA LEU A 322 723 617 962 100 57 11 C +ATOM 2473 C LEU A 322 24.660 -2.588 30.234 1.00 5.82 C +ANISOU 2473 C LEU A 322 655 670 885 -27 -23 31 C +ATOM 2474 O LEU A 322 25.346 -1.845 29.509 1.00 6.87 O +ANISOU 2474 O LEU A 322 652 714 1246 5 83 145 O +ATOM 2475 CB LEU A 322 22.384 -2.466 29.164 1.00 7.39 C +ANISOU 2475 CB LEU A 322 879 876 1054 -58 -169 72 C +ATOM 2476 CG LEU A 322 22.270 -3.813 28.497 1.00 7.42 C +ANISOU 2476 CG LEU A 322 826 946 1047 -184 -46 -8 C +ATOM 2477 CD1 LEU A 322 23.489 -4.205 27.691 1.00 8.39 C +ANISOU 2477 CD1 LEU A 322 782 1317 1091 60 -80 -28 C +ATOM 2478 CD2 LEU A 322 21.939 -4.951 29.471 1.00 8.48 C +ANISOU 2478 CD2 LEU A 322 1247 926 1051 -267 -149 158 C +ATOM 2479 N ALA A 323 25.113 -3.706 30.757 1.00 5.98 N +ANISOU 2479 N ALA A 323 639 676 956 18 107 -38 N +ATOM 2480 CA ALA A 323 26.403 -4.297 30.404 1.00 6.33 C +ANISOU 2480 CA ALA A 323 649 626 1130 17 -2 -126 C +ATOM 2481 C ALA A 323 26.107 -5.712 29.877 1.00 6.00 C +ANISOU 2481 C ALA A 323 720 627 931 129 -7 35 C +ATOM 2482 O ALA A 323 25.332 -6.438 30.530 1.00 6.87 O +ANISOU 2482 O ALA A 323 867 617 1127 -99 143 77 O +ATOM 2483 CB ALA A 323 27.417 -4.380 31.539 1.00 7.21 C +ANISOU 2483 CB ALA A 323 912 825 1001 80 -111 -33 C +ATOM 2484 N ASN A 324 26.702 -6.082 28.753 1.00 6.11 N +ANISOU 2484 N ASN A 324 666 721 936 38 -59 -20 N +ATOM 2485 CA ASN A 324 26.366 -7.411 28.180 1.00 6.09 C +ANISOU 2485 CA ASN A 324 689 667 957 -20 24 0 C +ATOM 2486 C ASN A 324 27.305 -8.503 28.673 1.00 6.21 C +ANISOU 2486 C ASN A 324 661 630 1069 -46 -85 -149 C +ATOM 2487 O ASN A 324 27.845 -9.299 27.888 1.00 6.27 O +ANISOU 2487 O ASN A 324 671 648 1064 43 70 -20 O +ATOM 2488 CB ASN A 324 26.297 -7.385 26.667 1.00 6.91 C +ANISOU 2488 CB ASN A 324 892 838 895 -158 85 -24 C +ATOM 2489 CG ASN A 324 27.587 -7.032 25.968 1.00 6.30 C +ANISOU 2489 CG ASN A 324 654 713 1027 30 61 2 C +ATOM 2490 OD1 ASN A 324 28.504 -6.509 26.594 1.00 7.34 O +ANISOU 2490 OD1 ASN A 324 815 936 1036 -143 101 -53 O +ATOM 2491 ND2 ASN A 324 27.645 -7.282 24.658 1.00 7.25 N +ANISOU 2491 ND2 ASN A 324 1050 814 892 -38 62 43 N +ATOM 2492 N THR A 325 27.452 -8.561 29.988 1.00 6.05 N +ANISOU 2492 N THR A 325 663 559 1075 -60 -90 -112 N +ATOM 2493 CA THR A 325 27.931 -9.793 30.632 1.00 6.21 C +ANISOU 2493 CA THR A 325 626 517 1219 50 71 -10 C +ATOM 2494 C THR A 325 27.086 -10.055 31.876 1.00 6.64 C +ANISOU 2494 C THR A 325 831 644 1048 -3 34 -100 C +ATOM 2495 O THR A 325 26.328 -9.184 32.294 1.00 7.19 O +ANISOU 2495 O THR A 325 804 877 1052 68 29 -65 O +ATOM 2496 CB THR A 325 29.442 -9.687 30.925 1.00 6.57 C +ANISOU 2496 CB THR A 325 697 639 1160 11 -109 6 C +ATOM 2497 OG1 THR A 325 29.969 -10.981 31.265 1.00 6.94 O +ANISOU 2497 OG1 THR A 325 751 729 1156 50 -125 61 O +ATOM 2498 CG2 THR A 325 29.766 -8.777 32.097 1.00 8.04 C +ANISOU 2498 CG2 THR A 325 774 951 1329 38 -104 -211 C +ATOM 2499 N SER A 326 27.247 -11.245 32.435 1.00 6.64 N +ANISOU 2499 N SER A 326 976 717 829 -75 -55 6 N +ATOM 2500 CA SER A 326 26.772 -11.496 33.792 1.00 6.34 C +ANISOU 2500 CA SER A 326 630 943 835 -114 -76 -57 C +ATOM 2501 C SER A 326 27.741 -12.474 34.420 1.00 6.54 C +ANISOU 2501 C SER A 326 736 870 879 -144 -104 86 C +ATOM 2502 O SER A 326 28.721 -12.929 33.843 1.00 7.74 O +ANISOU 2502 O SER A 326 785 1017 1137 43 -10 188 O +ATOM 2503 CB SER A 326 25.316 -11.950 33.837 1.00 7.44 C +ANISOU 2503 CB SER A 326 662 818 1349 25 17 29 C +ATOM 2504 OG SER A 326 25.240 -13.314 33.341 1.00 7.45 O +ANISOU 2504 OG SER A 326 858 943 1031 -193 12 1 O +ATOM 2505 N ASN A 327 27.469 -12.794 35.686 1.00 7.19 N +ANISOU 2505 N ASN A 327 706 1011 1013 -201 -40 140 N +ATOM 2506 CA ASN A 327 28.366 -13.575 36.541 1.00 7.02 C +ANISOU 2506 CA ASN A 327 743 1031 894 -106 -46 136 C +ATOM 2507 C ASN A 327 29.725 -12.911 36.646 1.00 7.05 C +ANISOU 2507 C ASN A 327 769 946 963 -106 -66 165 C +ATOM 2508 O ASN A 327 30.760 -13.567 36.597 1.00 8.27 O +ANISOU 2508 O ASN A 327 851 1053 1239 -40 -100 111 O +ATOM 2509 CB ASN A 327 28.486 -15.041 36.118 1.00 7.99 C +ANISOU 2509 CB ASN A 327 976 1037 1024 -106 -88 58 C +ATOM 2510 CG ASN A 327 29.117 -15.919 37.168 1.00 7.11 C +ANISOU 2510 CG ASN A 327 782 923 996 -231 -79 24 C +ATOM 2511 OD1 ASN A 327 28.767 -15.829 38.330 1.00 8.67 O +ANISOU 2511 OD1 ASN A 327 1145 1150 1000 -135 -121 87 O +ATOM 2512 ND2 ASN A 327 29.996 -16.798 36.732 1.00 8.94 N +ANISOU 2512 ND2 ASN A 327 1095 929 1372 -86 -99 15 N +ATOM 2513 N ASN A 328 29.719 -11.577 36.803 1.00 7.15 N +ANISOU 2513 N ASN A 328 823 983 912 -113 -126 108 N +ATOM 2514 CA ASN A 328 30.903 -10.749 36.951 1.00 7.56 C +ANISOU 2514 CA ASN A 328 929 901 1044 -148 -222 115 C +ATOM 2515 C ASN A 328 30.540 -9.653 37.951 1.00 7.38 C +ANISOU 2515 C ASN A 328 745 1052 1008 -173 -154 130 C +ATOM 2516 O ASN A 328 29.988 -8.614 37.572 1.00 7.74 O +ANISOU 2516 O ASN A 328 915 1073 952 12 -222 -6 O +ATOM 2517 CB ASN A 328 31.373 -10.210 35.604 1.00 7.61 C +ANISOU 2517 CB ASN A 328 927 862 1102 -180 -69 -1 C +ATOM 2518 CG ASN A 328 32.683 -9.454 35.688 1.00 7.66 C +ANISOU 2518 CG ASN A 328 800 794 1317 -59 -99 104 C +ATOM 2519 OD1 ASN A 328 32.907 -8.794 36.700 1.00 9.27 O +ANISOU 2519 OD1 ASN A 328 991 954 1577 -94 -253 -57 O +ATOM 2520 ND2 ASN A 328 33.505 -9.567 34.655 1.00 9.45 N +ANISOU 2520 ND2 ASN A 328 1131 883 1576 29 249 166 N +ATOM 2521 N VAL A 329 30.807 -9.923 39.229 1.00 9.69 N +ANISOU 2521 N VAL A 329 1496 1147 1039 -311 -202 211 N +ATOM 2522 CA VAL A 329 30.254 -9.030 40.235 1.00 14.09 C +ANISOU 2522 CA VAL A 329 2674 1694 985 -696 41 -219 C +ATOM 2523 C VAL A 329 30.984 -7.680 40.149 1.00 10.43 C +ANISOU 2523 C VAL A 329 1687 1235 1042 -13 -428 27 C +ATOM 2524 O VAL A 329 30.330 -6.689 40.499 1.00 12.43 O +ANISOU 2524 O VAL A 329 1915 1677 1131 324 -473 -87 O +ATOM 2525 CB VAL A 329 30.219 -9.574 41.676 1.00 22.14 C +ANISOU 2525 CB VAL A 329 5296 2092 1024 -1256 79 10 C +ATOM 2526 CG1 VAL A 329 29.908 -11.054 41.750 1.00 37.14 C +ANISOU 2526 CG1 VAL A 329 10257 2535 1319 -2842 1497 -169 C +ATOM 2527 CG2 VAL A 329 31.536 -9.309 42.329 1.00 32.15 C +ANISOU 2527 CG2 VAL A 329 6349 3182 2685 -957 -2042 1936 C +ATOM 2528 N ASN A 330 32.245 -7.628 39.687 1.00 10.64 N +ANISOU 2528 N ASN A 330 1610 950 1484 26 -586 -28 N +ATOM 2529 CA ASN A 330 32.855 -6.313 39.568 1.00 10.30 C +ANISOU 2529 CA ASN A 330 1405 862 1646 85 -700 -28 C +ATOM 2530 C ASN A 330 32.072 -5.466 38.587 1.00 9.48 C +ANISOU 2530 C ASN A 330 1220 880 1503 43 -423 -11 C +ATOM 2531 O ASN A 330 31.823 -4.289 38.858 1.00 10.13 O +ANISOU 2531 O ASN A 330 1411 810 1627 141 -611 -167 O +ATOM 2532 CB ASN A 330 34.312 -6.450 39.052 1.00 11.61 C +ANISOU 2532 CB ASN A 330 1361 1021 2028 132 -811 23 C +ATOM 2533 CG ASN A 330 35.288 -6.979 40.064 1.00 12.10 C +ANISOU 2533 CG ASN A 330 1293 1140 2166 -133 -839 -70 C +ATOM 2534 OD1 ASN A 330 35.057 -6.766 41.272 1.00 19.24 O +ANISOU 2534 OD1 ASN A 330 2871 2438 2003 852 -1288 -333 O +ATOM 2535 ND2 ASN A 330 36.323 -7.636 39.634 1.00 15.13 N +ANISOU 2535 ND2 ASN A 330 1189 1806 2754 297 -723 458 N +ATOM 2536 N VAL A 331 31.698 -6.059 37.454 1.00 8.52 N +ANISOU 2536 N VAL A 331 948 938 1351 -5 -312 13 N +ATOM 2537 CA VAL A 331 30.891 -5.289 36.474 1.00 7.95 C +ANISOU 2537 CA VAL A 331 1066 737 1218 151 -161 5 C +ATOM 2538 C VAL A 331 29.558 -4.902 37.060 1.00 7.88 C +ANISOU 2538 C VAL A 331 970 887 1137 -29 -186 -190 C +ATOM 2539 O VAL A 331 29.095 -3.766 36.899 1.00 8.01 O +ANISOU 2539 O VAL A 331 1033 968 1042 179 -196 -93 O +ATOM 2540 CB VAL A 331 30.716 -6.092 35.167 1.00 7.49 C +ANISOU 2540 CB VAL A 331 729 864 1254 -3 -147 -106 C +ATOM 2541 CG1 VAL A 331 29.717 -5.431 34.224 1.00 7.34 C +ANISOU 2541 CG1 VAL A 331 817 765 1207 124 -2 103 C +ATOM 2542 CG2 VAL A 331 32.071 -6.227 34.460 1.00 8.39 C +ANISOU 2542 CG2 VAL A 331 792 1021 1375 81 -90 30 C +ATOM 2543 N LEU A 332 28.887 -5.808 37.764 1.00 8.04 N +ANISOU 2543 N LEU A 332 995 1045 1013 150 -110 -37 N +ATOM 2544 CA LEU A 332 27.597 -5.484 38.374 1.00 8.37 C +ANISOU 2544 CA LEU A 332 954 1174 1051 -10 -55 -127 C +ATOM 2545 C LEU A 332 27.720 -4.267 39.305 1.00 8.55 C +ANISOU 2545 C LEU A 332 1205 1144 898 96 6 22 C +ATOM 2546 O LEU A 332 26.927 -3.305 39.250 1.00 9.31 O +ANISOU 2546 O LEU A 332 1233 1162 1143 148 -3 -99 O +ATOM 2547 CB LEU A 332 27.035 -6.683 39.118 1.00 9.67 C +ANISOU 2547 CB LEU A 332 1450 1075 1151 239 280 15 C +ATOM 2548 CG LEU A 332 25.695 -6.430 39.857 1.00 10.40 C +ANISOU 2548 CG LEU A 332 1394 1268 1289 20 262 21 C +ATOM 2549 CD1 LEU A 332 24.606 -6.083 38.837 1.00 11.90 C +ANISOU 2549 CD1 LEU A 332 1236 1686 1598 -145 -21 -432 C +ATOM 2550 CD2 LEU A 332 25.303 -7.631 40.679 1.00 15.83 C +ANISOU 2550 CD2 LEU A 332 2354 1415 2245 8 961 303 C +ATOM 2551 N ASN A 333 28.715 -4.325 40.188 1.00 9.09 N +ANISOU 2551 N ASN A 333 1312 1124 1020 -72 -167 3 N +ATOM 2552 CA ASN A 333 28.948 -3.245 41.144 1.00 9.79 C +ANISOU 2552 CA ASN A 333 1522 1099 1097 -54 -326 16 C +ATOM 2553 C ASN A 333 29.298 -1.947 40.414 1.00 8.93 C +ANISOU 2553 C ASN A 333 1197 1069 1129 -29 -217 -93 C +ATOM 2554 O ASN A 333 28.745 -0.897 40.775 1.00 10.28 O +ANISOU 2554 O ASN A 333 1599 1138 1171 146 -182 -22 O +ATOM 2555 CB ASN A 333 30.072 -3.594 42.109 1.00 12.02 C +ANISOU 2555 CB ASN A 333 1874 1314 1380 34 -626 43 C +ATOM 2556 CG ASN A 333 29.802 -4.754 43.014 1.00 14.57 C +ANISOU 2556 CG ASN A 333 2044 1931 1562 179 -349 454 C +ATOM 2557 OD1 ASN A 333 28.676 -5.105 43.248 1.00 17.79 O +ANISOU 2557 OD1 ASN A 333 2452 2744 1564 -335 365 37 O +ATOM 2558 ND2 ASN A 333 30.805 -5.427 43.565 1.00 17.19 N +ANISOU 2558 ND2 ASN A 333 3208 1383 1939 754 -846 10 N +ATOM 2559 N THR A 334 30.135 -2.041 39.414 1.00 8.43 N +ANISOU 2559 N THR A 334 1104 1075 1023 89 -359 54 N +ATOM 2560 CA THR A 334 30.489 -0.819 38.690 1.00 8.96 C +ANISOU 2560 CA THR A 334 1131 964 1309 147 -190 73 C +ATOM 2561 C THR A 334 29.288 -0.165 38.031 1.00 7.80 C +ANISOU 2561 C THR A 334 1004 869 1089 84 -102 -60 C +ATOM 2562 O THR A 334 29.091 1.040 38.063 1.00 8.41 O +ANISOU 2562 O THR A 334 1092 844 1261 130 -65 30 O +ATOM 2563 CB THR A 334 31.573 -1.141 37.642 1.00 9.21 C +ANISOU 2563 CB THR A 334 892 1182 1425 118 -229 39 C +ATOM 2564 OG1 THR A 334 32.751 -1.421 38.420 1.00 9.11 O +ANISOU 2564 OG1 THR A 334 1062 1039 1359 198 -301 -135 O +ATOM 2565 CG2 THR A 334 31.848 -0.027 36.649 1.00 10.01 C +ANISOU 2565 CG2 THR A 334 1310 1175 1318 280 -131 52 C +ATOM 2566 N MET A 335 28.447 -0.990 37.380 1.00 8.38 N +ANISOU 2566 N MET A 335 1051 916 1217 11 -142 61 N +ATOM 2567 CA MET A 335 27.314 -0.448 36.642 1.00 7.94 C +ANISOU 2567 CA MET A 335 1011 921 1084 -26 -158 71 C +ATOM 2568 C MET A 335 26.329 0.242 37.565 1.00 8.18 C +ANISOU 2568 C MET A 335 1041 1123 942 45 -287 -6 C +ATOM 2569 O MET A 335 25.617 1.179 37.107 1.00 7.95 O +ANISOU 2569 O MET A 335 936 950 1135 -58 -183 75 O +ATOM 2570 CB MET A 335 26.658 -1.538 35.814 1.00 8.49 C +ANISOU 2570 CB MET A 335 1175 1096 956 -68 -135 9 C +ATOM 2571 CG MET A 335 27.517 -2.033 34.653 1.00 8.93 C +ANISOU 2571 CG MET A 335 1302 1038 1053 205 -118 51 C +ATOM 2572 SD MET A 335 28.039 -0.781 33.474 1.00 8.73 S +ANISOU 2572 SD MET A 335 849 1267 1201 82 -33 -73 S +ATOM 2573 CE MET A 335 26.481 -0.276 32.743 1.00 10.08 C +ANISOU 2573 CE MET A 335 1020 1558 1252 297 -45 318 C +ATOM 2574 N ALA A 336 26.229 -0.134 38.824 1.00 8.19 N +ANISOU 2574 N ALA A 336 1008 1027 1078 -32 -93 39 N +ATOM 2575 CA ALA A 336 25.375 0.600 39.748 1.00 8.50 C +ANISOU 2575 CA ALA A 336 1138 1073 1020 -12 -55 2 C +ATOM 2576 C ALA A 336 25.784 2.073 39.865 1.00 8.41 C +ANISOU 2576 C ALA A 336 1039 965 1192 130 -99 118 C +ATOM 2577 O ALA A 336 24.927 2.919 40.207 1.00 9.15 O +ANISOU 2577 O ALA A 336 1189 1053 1235 159 -19 25 O +ATOM 2578 CB ALA A 336 25.397 -0.036 41.132 1.00 10.06 C +ANISOU 2578 CB ALA A 336 1408 1261 1152 -127 -39 284 C +ATOM 2579 N ARG A 337 27.065 2.393 39.613 1.00 7.94 N +ANISOU 2579 N ARG A 337 1054 1034 931 2 -134 129 N +ATOM 2580 CA ARG A 337 27.544 3.767 39.744 1.00 9.16 C +ANISOU 2580 CA ARG A 337 1121 1034 1324 28 -153 -36 C +ATOM 2581 C ARG A 337 26.902 4.677 38.704 1.00 7.74 C +ANISOU 2581 C ARG A 337 826 833 1284 -35 8 -25 C +ATOM 2582 O ARG A 337 26.951 5.914 38.833 1.00 9.00 O +ANISOU 2582 O ARG A 337 952 861 1605 30 -137 -63 O +ATOM 2583 CB ARG A 337 29.067 3.801 39.593 1.00 10.01 C +ANISOU 2583 CB ARG A 337 1083 1017 1704 14 -470 -197 C +ATOM 2584 CG ARG A 337 29.760 2.986 40.692 1.00 15.09 C +ANISOU 2584 CG ARG A 337 1822 2109 1804 401 -1020 -279 C +ATOM 2585 CD ARG A 337 31.257 2.811 40.330 1.00 20.37 C +ANISOU 2585 CD ARG A 337 1584 1651 4504 440 -1270 -95 C +ATOM 2586 NE ARG A 337 31.845 4.158 40.330 1.00 33.31 N +ANISOU 2586 NE ARG A 337 2639 2405 7614 -633 -1774 367 N +ATOM 2587 CZ ARG A 337 33.033 4.318 39.751 1.00 37.13 C +ANISOU 2587 CZ ARG A 337 2581 1751 9775 -217 -1303 935 C +ATOM 2588 NH1 ARG A 337 33.639 3.274 39.186 1.00 41.29 N +ANISOU 2588 NH1 ARG A 337 3754 2375 9560 537 -718 1252 N +ATOM 2589 NH2 ARG A 337 33.635 5.493 39.709 1.00 49.34 N +ANISOU 2589 NH2 ARG A 337 4592 1846 12309 -752 -132 2045 N +ATOM 2590 N THR A 338 26.297 4.110 37.617 1.00 7.82 N +ANISOU 2590 N THR A 338 778 881 1310 -92 -86 72 N +ATOM 2591 CA THR A 338 25.598 4.994 36.687 1.00 8.86 C +ANISOU 2591 CA THR A 338 1095 1018 1254 130 -87 -19 C +ATOM 2592 C THR A 338 24.479 5.735 37.364 1.00 7.62 C +ANISOU 2592 C THR A 338 927 947 1022 -15 -147 124 C +ATOM 2593 O THR A 338 24.179 6.860 36.982 1.00 9.01 O +ANISOU 2593 O THR A 338 1229 945 1250 140 -65 97 O +ATOM 2594 CB THR A 338 25.015 4.199 35.488 1.00 8.39 C +ANISOU 2594 CB THR A 338 1013 985 1189 -5 -61 40 C +ATOM 2595 OG1 THR A 338 24.067 3.216 35.961 1.00 8.91 O +ANISOU 2595 OG1 THR A 338 1084 1112 1189 -13 -54 -2 O +ATOM 2596 CG2 THR A 338 26.088 3.581 34.605 1.00 9.30 C +ANISOU 2596 CG2 THR A 338 1278 1322 935 41 -19 124 C +ATOM 2597 N LEU A 339 23.872 5.158 38.397 1.00 8.22 N +ANISOU 2597 N LEU A 339 986 949 1190 -18 -65 5 N +ATOM 2598 CA LEU A 339 22.793 5.868 39.093 1.00 8.42 C +ANISOU 2598 CA LEU A 339 914 1042 1244 -86 -7 -20 C +ATOM 2599 C LEU A 339 23.323 7.087 39.833 1.00 7.89 C +ANISOU 2599 C LEU A 339 1046 991 962 5 -52 44 C +ATOM 2600 O LEU A 339 22.712 8.135 39.855 1.00 8.60 O +ANISOU 2600 O LEU A 339 1042 998 1227 0 -97 -63 O +ATOM 2601 CB LEU A 339 22.096 4.931 40.081 1.00 9.47 C +ANISOU 2601 CB LEU A 339 1188 933 1476 -85 153 52 C +ATOM 2602 CG LEU A 339 21.520 3.659 39.452 1.00 11.05 C +ANISOU 2602 CG LEU A 339 1512 1141 1544 -286 126 14 C +ATOM 2603 CD1 LEU A 339 20.755 2.848 40.520 1.00 15.37 C +ANISOU 2603 CD1 LEU A 339 1876 1278 2687 -407 885 122 C +ATOM 2604 CD2 LEU A 339 20.631 3.942 38.254 1.00 14.62 C +ANISOU 2604 CD2 LEU A 339 1635 1424 2494 -53 -649 -241 C +ATOM 2605 N GLU A 340 24.488 6.929 40.490 1.00 8.74 N +ANISOU 2605 N GLU A 340 1046 1118 1158 -120 -174 188 N +ATOM 2606 CA GLU A 340 25.142 8.060 41.144 1.00 9.51 C +ANISOU 2606 CA GLU A 340 1352 1104 1156 -101 -222 -18 C +ATOM 2607 C GLU A 340 25.454 9.154 40.131 1.00 8.86 C +ANISOU 2607 C GLU A 340 1180 1078 1108 -165 -117 -107 C +ATOM 2608 O GLU A 340 25.108 10.320 40.347 1.00 9.05 O +ANISOU 2608 O GLU A 340 1183 1046 1209 -120 50 -182 O +ATOM 2609 CB GLU A 340 26.399 7.547 41.844 1.00 11.70 C +ANISOU 2609 CB GLU A 340 1246 1909 1292 -163 -351 90 C +ATOM 2610 CG GLU A 340 26.104 6.677 43.039 1.00 14.00 C +ANISOU 2610 CG GLU A 340 1591 2222 1507 -34 -280 354 C +ATOM 2611 CD GLU A 340 25.644 7.481 44.243 1.00 15.21 C +ANISOU 2611 CD GLU A 340 1941 2656 1182 -451 -362 186 C +ATOM 2612 OE1 GLU A 340 25.951 8.679 44.329 1.00 19.20 O +ANISOU 2612 OE1 GLU A 340 3041 2786 1470 -616 12 -112 O +ATOM 2613 OE2 GLU A 340 24.997 6.873 45.136 1.00 18.14 O +ANISOU 2613 OE2 GLU A 340 2019 3374 1499 -557 -98 297 O +ATOM 2614 N SER A 341 26.130 8.823 39.025 1.00 8.64 N +ANISOU 2614 N SER A 341 948 1056 1277 -24 -126 -16 N +ATOM 2615 CA SER A 341 26.482 9.884 38.098 1.00 9.00 C +ANISOU 2615 CA SER A 341 1022 1021 1376 -124 149 0 C +ATOM 2616 C SER A 341 25.282 10.525 37.468 1.00 8.41 C +ANISOU 2616 C SER A 341 1249 952 994 -43 112 -60 C +ATOM 2617 O SER A 341 25.301 11.739 37.212 1.00 9.83 O +ANISOU 2617 O SER A 341 1445 950 1339 5 205 -14 O +ATOM 2618 CB SER A 341 27.408 9.336 36.982 1.00 9.77 C +ANISOU 2618 CB SER A 341 1006 1397 1310 -59 17 -183 C +ATOM 2619 OG SER A 341 28.641 8.854 37.550 1.00 11.42 O +ANISOU 2619 OG SER A 341 1199 1538 1601 187 77 236 O +ATOM 2620 N ALA A 342 24.239 9.722 37.162 1.00 8.07 N +ANISOU 2620 N ALA A 342 1141 841 1083 40 -33 1 N +ATOM 2621 CA ALA A 342 23.083 10.274 36.465 1.00 8.57 C +ANISOU 2621 CA ALA A 342 1253 925 1076 90 -87 -82 C +ATOM 2622 C ALA A 342 22.147 11.082 37.351 1.00 8.20 C +ANISOU 2622 C ALA A 342 1147 785 1185 -18 72 80 C +ATOM 2623 O ALA A 342 21.538 12.046 36.842 1.00 8.63 O +ANISOU 2623 O ALA A 342 1123 978 1175 73 94 85 O +ATOM 2624 CB ALA A 342 22.282 9.109 35.846 1.00 9.95 C +ANISOU 2624 CB ALA A 342 1340 1055 1385 86 -414 -186 C +ATOM 2625 N PHE A 343 22.014 10.735 38.617 1.00 8.21 N +ANISOU 2625 N PHE A 343 1010 991 1120 -79 -37 70 N +ATOM 2626 CA PHE A 343 21.109 11.431 39.535 1.00 9.14 C +ANISOU 2626 CA PHE A 343 1104 1143 1225 0 124 133 C +ATOM 2627 C PHE A 343 21.841 12.380 40.466 1.00 9.80 C +ANISOU 2627 C PHE A 343 1492 1078 1156 130 -14 57 C +ATOM 2628 O PHE A 343 21.291 13.453 40.709 1.00 14.42 O +ANISOU 2628 O PHE A 343 1835 1251 2392 265 -267 -269 O +ATOM 2629 CB PHE A 343 20.309 10.427 40.406 1.00 9.66 C +ANISOU 2629 CB PHE A 343 1332 1333 1004 -97 -25 92 C +ATOM 2630 CG PHE A 343 19.259 9.679 39.598 1.00 8.55 C +ANISOU 2630 CG PHE A 343 1136 1151 963 68 -33 234 C +ATOM 2631 CD1 PHE A 343 18.040 10.258 39.303 1.00 10.35 C +ANISOU 2631 CD1 PHE A 343 958 1427 1550 -18 66 462 C +ATOM 2632 CD2 PHE A 343 19.477 8.374 39.116 1.00 9.80 C +ANISOU 2632 CD2 PHE A 343 1182 1375 1165 -63 28 -46 C +ATOM 2633 CE1 PHE A 343 17.072 9.576 38.560 1.00 9.97 C +ANISOU 2633 CE1 PHE A 343 942 1466 1380 21 127 408 C +ATOM 2634 CE2 PHE A 343 18.519 7.703 38.409 1.00 9.82 C +ANISOU 2634 CE2 PHE A 343 1052 1433 1246 43 -26 -31 C +ATOM 2635 CZ PHE A 343 17.293 8.283 38.100 1.00 10.54 C +ANISOU 2635 CZ PHE A 343 1053 1607 1345 142 95 178 C +ATOM 2636 N CYS A 344 22.979 11.996 41.029 1.00 9.59 N +ANISOU 2636 N CYS A 344 1342 1204 1096 -59 75 -103 N +ATOM 2637 CA CYS A 344 23.720 12.856 41.938 1.00 10.14 C +ANISOU 2637 CA CYS A 344 1430 1166 1258 -41 75 -239 C +ATOM 2638 C CYS A 344 24.659 13.813 41.218 1.00 10.13 C +ANISOU 2638 C CYS A 344 1219 1431 1198 -150 -118 -178 C +ATOM 2639 O CYS A 344 24.962 14.869 41.786 1.00 11.21 O +ANISOU 2639 O CYS A 344 1528 1369 1362 -180 136 -260 O +ATOM 2640 CB CYS A 344 24.485 11.987 42.956 1.00 12.55 C +ANISOU 2640 CB CYS A 344 1893 1514 1362 -132 -271 -11 C +ATOM 2641 SG CYS A 344 23.391 11.096 44.087 1.00 16.30 S +ANISOU 2641 SG CYS A 344 2876 1675 1643 -766 -230 138 S +ATOM 2642 N GLY A 345 25.076 13.514 40.010 1.00 11.27 N +ANISOU 2642 N GLY A 345 1588 1402 1292 -306 147 -246 N +ATOM 2643 CA GLY A 345 25.949 14.411 39.256 1.00 11.44 C +ANISOU 2643 CA GLY A 345 1359 1523 1466 -330 10 -79 C +ATOM 2644 C GLY A 345 27.374 14.446 39.780 1.00 11.94 C +ANISOU 2644 C GLY A 345 1447 1375 1716 -209 -152 -261 C +ATOM 2645 O GLY A 345 27.821 13.607 40.558 1.00 15.84 O +ANISOU 2645 O GLY A 345 1409 2470 2140 -220 15 614 O +ATOM 2646 N LYS A 346 28.083 15.480 39.329 1.00 11.74 N +ANISOU 2646 N LYS A 346 1576 1405 1481 -399 -107 -474 N +ATOM 2647 CA LYS A 346 29.514 15.609 39.670 1.00 13.14 C +ANISOU 2647 CA LYS A 346 1585 1859 1549 -554 49 -112 C +ATOM 2648 C LYS A 346 29.648 15.823 41.154 1.00 17.98 C +ANISOU 2648 C LYS A 346 1668 3749 1414 -1018 -233 346 C +ATOM 2649 O LYS A 346 28.930 16.630 41.766 1.00 22.66 O +ANISOU 2649 O LYS A 346 3285 3854 1472 -1251 -199 -934 O +ATOM 2650 CB LYS A 346 30.142 16.763 38.895 1.00 14.09 C +ANISOU 2650 CB LYS A 346 1819 2063 1472 -499 261 39 C +ATOM 2651 CG LYS A 346 30.353 16.456 37.425 1.00 13.43 C +ANISOU 2651 CG LYS A 346 2100 1470 1534 -519 212 -143 C +ATOM 2652 CD LYS A 346 30.983 17.621 36.673 1.00 13.89 C +ANISOU 2652 CD LYS A 346 2278 1684 1316 -488 -143 249 C +ATOM 2653 CE LYS A 346 31.386 17.238 35.242 1.00 14.19 C +ANISOU 2653 CE LYS A 346 2426 1582 1385 -696 -28 134 C +ATOM 2654 NZ LYS A 346 30.230 16.757 34.419 1.00 11.73 N +ANISOU 2654 NZ LYS A 346 2029 1006 1420 -236 104 -43 N +ATOM 2655 N PRO A 347 30.571 15.095 41.782 1.00 28.44 N +ANISOU 2655 N PRO A 347 2584 5303 2919 -899 -1079 1396 N +ATOM 2656 CA PRO A 347 30.749 15.075 43.228 1.00 36.52 C +ANISOU 2656 CA PRO A 347 4043 6576 3259 -845 -2173 1544 C +ATOM 2657 C PRO A 347 31.483 16.332 43.718 1.00 47.11 C +ANISOU 2657 C PRO A 347 5461 8060 4377 -1766 -1782 -105 C +ATOM 2658 O PRO A 347 31.682 17.184 42.812 1.00 46.49 O +ANISOU 2658 O PRO A 347 6315 8223 3128 -4329 -1664 -1251 O +ATOM 2659 CB PRO A 347 31.609 13.829 43.480 1.00 45.46 C +ANISOU 2659 CB PRO A 347 4972 7707 4595 79 -1888 2690 C +ATOM 2660 CG PRO A 347 32.438 13.716 42.241 1.00 44.31 C +ANISOU 2660 CG PRO A 347 5246 7280 4308 1039 -2081 2704 C +ATOM 2661 CD PRO A 347 31.555 14.223 41.132 1.00 37.29 C +ANISOU 2661 CD PRO A 347 3251 6631 4288 1130 -1688 1698 C +TER 2662 PRO A 347 +HETATM 2663 O8 APNM A 400 17.133 -10.677 37.249 0.75 5.76 O +ANISOU 2663 O8 APNM A 400 504 702 984 -24 -28 184 O +HETATM 2664 C7 APNM A 400 16.441 -11.304 37.956 0.75 6.35 C +ANISOU 2664 C7 APNM A 400 844 697 871 27 65 94 C +HETATM 2665 N4 APNM A 400 16.928 -10.579 40.187 0.75 9.42 N +ANISOU 2665 N4 APNM A 400 1160 1018 1403 193 -133 78 N +HETATM 2666 C3 APNM A 400 18.215 -9.896 40.353 0.75 10.60 C +ANISOU 2666 C3 APNM A 400 1292 1362 1374 -27 -187 102 C +HETATM 2667 C11APNM A 400 17.900 -8.410 40.747 0.75 10.68 C +ANISOU 2667 C11APNM A 400 1259 1291 1510 32 24 175 C +HETATM 2668 O13APNM A 400 18.868 -7.666 40.594 0.75 19.38 O +ANISOU 2668 O13APNM A 400 1708 1210 4446 65 774 560 O +HETATM 2669 O12APNM A 400 16.768 -8.170 41.252 0.75 14.27 O +ANISOU 2669 O12APNM A 400 1831 1623 1966 144 800 261 O +HETATM 2670 C2 APNM A 400 18.974 -10.753 41.422 0.75 11.35 C +ANISOU 2670 C2 APNM A 400 1309 1489 1514 47 -234 275 C +HETATM 2671 C10APNM A 400 20.440 -10.477 41.399 0.75 17.71 C +ANISOU 2671 C10APNM A 400 1514 3656 1561 -832 -679 1136 C +HETATM 2672 C9 APNM A 400 18.483 -10.470 42.828 0.75 12.35 C +ANISOU 2672 C9 APNM A 400 2017 1219 1455 415 -412 82 C +HETATM 2673 S1 APNM A 400 18.554 -12.499 40.936 0.75 12.45 S +ANISOU 2673 S1 APNM A 400 1636 1456 1639 576 -402 -100 S +HETATM 2674 C5 APNM A 400 17.011 -12.050 40.194 0.75 7.47 C +ANISOU 2674 C5 APNM A 400 1081 885 871 259 164 209 C +HETATM 2675 C6 APNM A 400 16.765 -12.518 38.757 0.75 6.28 C +ANISOU 2675 C6 APNM A 400 525 838 1022 135 219 193 C +HETATM 2676 N14APNM A 400 17.875 -13.173 38.104 0.75 5.62 N +ANISOU 2676 N14APNM A 400 516 840 781 32 -12 52 N +HETATM 2677 C15APNM A 400 18.083 -14.479 38.239 0.75 7.92 C +ANISOU 2677 C15APNM A 400 728 838 1443 80 312 166 C +HETATM 2678 O16APNM A 400 17.233 -15.263 38.707 0.75 21.95 O +ANISOU 2678 O16APNM A 400 1887 1121 5331 99 2018 816 O +HETATM 2679 C17APNM A 400 19.267 -15.055 37.497 0.75 9.99 C +ANISOU 2679 C17APNM A 400 927 1079 1792 287 405 51 C +HETATM 2680 C18APNM A 400 20.413 -15.477 38.451 0.75 10.77 C +ANISOU 2680 C18APNM A 400 968 1037 2089 395 311 -66 C +HETATM 2681 C19APNM A 400 20.639 -16.803 38.721 0.75 13.96 C +ANISOU 2681 C19APNM A 400 1311 1117 2874 215 426 554 C +HETATM 2682 C20APNM A 400 21.728 -17.140 39.497 0.75 18.29 C +ANISOU 2682 C20APNM A 400 1741 1534 3676 669 87 627 C +HETATM 2683 C21APNM A 400 22.575 -16.132 39.911 0.75 19.44 C +ANISOU 2683 C21APNM A 400 1328 2218 3839 526 -206 696 C +HETATM 2684 C22APNM A 400 22.358 -14.804 39.732 0.75 15.07 C +ANISOU 2684 C22APNM A 400 666 1964 3094 174 144 274 C +HETATM 2685 C23APNM A 400 21.288 -14.473 38.947 0.75 12.62 C +ANISOU 2685 C23APNM A 400 1113 1322 2359 115 104 125 C +HETATM 2686 O HOH A1001 29.679 3.945 21.722 1.00 5.53 O +ANISOU 2686 O HOH A1001 598 668 836 25 -101 92 O +HETATM 2687 O HOH A1002 26.141 -20.557 23.106 1.00 7.98 O +ANISOU 2687 O HOH A1002 860 902 1272 -40 111 -146 O +HETATM 2688 O HOH A1003 21.625 -26.361 25.886 1.00 7.98 O +ANISOU 2688 O HOH A1003 921 738 1374 104 108 -174 O +HETATM 2689 O HOH A1004 19.379 -7.982 32.409 1.00 7.02 O +ANISOU 2689 O HOH A1004 856 808 1003 75 30 -55 O +HETATM 2690 O HOH A1005 20.414 -14.630 27.880 1.00 8.36 O +ANISOU 2690 O HOH A1005 677 1015 1484 -129 -7 -204 O +HETATM 2691 O HOH A1006 10.604 -13.459 25.842 1.00 9.02 O +ANISOU 2691 O HOH A1006 1079 982 1367 221 -255 -93 O +HETATM 2692 O HOH A1007 27.478 16.093 28.026 1.00 9.31 O +ANISOU 2692 O HOH A1007 804 968 1766 76 155 350 O +HETATM 2693 O HOH A1008 33.390 -10.890 32.007 1.00 9.98 O +ANISOU 2693 O HOH A1008 1030 995 1766 -19 -192 -34 O +HETATM 2694 O HOH A1009 14.922 -10.887 29.827 1.00 6.95 O +ANISOU 2694 O HOH A1009 743 757 1140 -47 20 13 O +HETATM 2695 O HOH A1010 14.454 -12.250 27.452 1.00 7.60 O +ANISOU 2695 O HOH A1010 926 883 1079 103 -63 -37 O +HETATM 2696 O HOH A1011 11.965 -15.860 25.350 1.00 10.02 O +ANISOU 2696 O HOH A1011 1286 1289 1233 269 -27 58 O +HETATM 2697 O HOH A1012 20.104 17.095 30.836 1.00 9.52 O +ANISOU 2697 O HOH A1012 1036 878 1703 181 122 -48 O +HETATM 2698 O HOH A1013 14.255 -14.576 22.783 1.00 8.21 O +ANISOU 2698 O HOH A1013 867 954 1300 -69 -190 -258 O +HETATM 2699 O HOH A1014 14.299 -13.734 36.592 1.00 9.92 O +ANISOU 2699 O HOH A1014 1137 1305 1329 167 -50 241 O +HETATM 2700 O HOH A1015 29.287 -13.924 19.806 1.00 9.21 O +ANISOU 2700 O HOH A1015 1360 894 1245 2 179 -86 O +HETATM 2701 O HOH A1016 1.445 4.557 37.491 1.00 10.91 O +ANISOU 2701 O HOH A1016 1474 1218 1454 194 198 273 O +HETATM 2702 O HOH A1017 20.164 18.611 34.598 1.00 10.56 O +ANISOU 2702 O HOH A1017 1597 960 1453 -57 -79 138 O +HETATM 2703 O HOH A1018 18.972 -0.242 24.405 1.00 8.66 O +ANISOU 2703 O HOH A1018 1036 1035 1218 35 146 43 O +HETATM 2704 O HOH A1019 36.359 -14.616 32.245 1.00 12.29 O +ANISOU 2704 O HOH A1019 1438 1363 1868 196 -121 89 O +HETATM 2705 O HOH A1020 24.483 -28.814 31.545 1.00 10.90 O +ANISOU 2705 O HOH A1020 1369 1083 1690 214 -198 -240 O +HETATM 2706 O HOH A1021 10.166 4.579 24.489 1.00 8.89 O +ANISOU 2706 O HOH A1021 1200 986 1192 -34 -33 -5 O +HETATM 2707 O HOH A1022 5.892 -6.575 21.554 1.00 12.84 O +ANISOU 2707 O HOH A1022 1523 1366 1990 57 -330 -144 O +HETATM 2708 O HOH A1023 21.768 -7.999 16.310 1.00 11.55 O +ANISOU 2708 O HOH A1023 1281 1669 1440 -126 135 -217 O +HETATM 2709 O HOH A1024 23.604 -19.418 34.450 1.00 9.46 O +ANISOU 2709 O HOH A1024 1026 1008 1559 13 120 129 O +HETATM 2710 O HOH A1025 16.292 -12.706 34.846 1.00 10.06 O +ANISOU 2710 O HOH A1025 1303 1060 1458 -44 8 305 O +HETATM 2711 O HOH A1026 17.000 2.845 23.165 1.00 12.39 O +ANISOU 2711 O HOH A1026 1505 1904 1301 609 226 106 O +HETATM 2712 O HOH A1027 31.682 11.329 26.209 1.00 11.39 O +ANISOU 2712 O HOH A1027 1052 1645 1629 -265 -270 213 O +HETATM 2713 O HOH A1028 28.389 3.263 19.708 1.00 10.68 O +ANISOU 2713 O HOH A1028 1227 1203 1627 -120 72 232 O +HETATM 2714 O HOH A1029 2.217 -3.276 49.645 1.00 11.18 O +ANISOU 2714 O HOH A1029 1027 1581 1641 53 288 252 O +HETATM 2715 O HOH A1030 6.879 7.847 29.931 1.00 10.97 O +ANISOU 2715 O HOH A1030 1329 1346 1494 107 68 190 O +HETATM 2716 O HOH A1031 11.724 -13.424 18.548 1.00 14.64 O +ANISOU 2716 O HOH A1031 1602 1853 2106 206 -552 -189 O +HETATM 2717 O HOH A1032 28.829 -13.916 17.033 1.00 10.32 O +ANISOU 2717 O HOH A1032 1141 1376 1404 -39 74 -235 O +HETATM 2718 O HOH A1033 24.901 -2.855 17.557 1.00 11.45 O +ANISOU 2718 O HOH A1033 1409 1469 1472 -66 243 42 O +HETATM 2719 O HOH A1034 2.913 -15.324 26.896 1.00 12.34 O +ANISOU 2719 O HOH A1034 1053 1139 2497 -69 -264 220 O +HETATM 2720 O HOH A1035 18.963 -28.795 28.195 1.00 9.13 O +ANISOU 2720 O HOH A1035 1014 1034 1421 -76 71 -86 O +HETATM 2721 O HOH A1036 -0.298 5.636 39.455 1.00 13.03 O +ANISOU 2721 O HOH A1036 1718 1610 1625 544 203 266 O +HETATM 2722 O HOH A1037 9.999 -14.449 52.142 1.00 16.70 O +ANISOU 2722 O HOH A1037 1420 2236 2690 725 721 1135 O +HETATM 2723 O HOH A1038 14.780 -19.203 48.462 1.00 11.91 O +ANISOU 2723 O HOH A1038 1572 1488 1467 -242 3 236 O +HETATM 2724 O HOH A1039 9.808 -14.709 49.173 1.00 16.51 O +ANISOU 2724 O HOH A1039 1423 2707 2143 -533 -142 1165 O +HETATM 2725 O HOH A1040 5.101 -17.029 30.117 1.00 11.34 O +ANISOU 2725 O HOH A1040 1079 1299 1931 -123 -114 504 O +HETATM 2726 O HOH A1041 18.536 -13.476 18.100 1.00 11.61 O +ANISOU 2726 O HOH A1041 1390 1097 1925 -7 541 119 O +HETATM 2727 O HOH A1042 -2.020 -19.211 49.432 1.00 11.94 O +ANISOU 2727 O HOH A1042 1300 1416 1820 -3 203 406 O +HETATM 2728 O HOH A1043 35.611 9.830 32.027 1.00 12.38 O +ANISOU 2728 O HOH A1043 1451 1369 1885 241 9 198 O +HETATM 2729 O HOH A1044 33.794 0.617 39.876 1.00 14.55 O +ANISOU 2729 O HOH A1044 1413 1957 2158 -49 -610 -322 O +HETATM 2730 O HOH A1045 14.363 -22.536 30.427 1.00 14.34 O +ANISOU 2730 O HOH A1045 1566 2171 1712 722 1 -163 O +HETATM 2731 O HOH A1046 26.801 17.272 37.492 1.00 13.83 O +ANISOU 2731 O HOH A1046 1585 1796 1876 -156 -408 226 O +HETATM 2732 O HOH A1047 5.983 -9.263 22.362 1.00 12.94 O +ANISOU 2732 O HOH A1047 1461 1387 2067 -419 -683 294 O +HETATM 2733 O HOH A1048 32.952 5.148 28.230 1.00 13.95 O +ANISOU 2733 O HOH A1048 2586 1171 1543 -46 48 128 O +HETATM 2734 O HOH A1049 10.037 2.770 21.393 1.00 13.97 O +ANISOU 2734 O HOH A1049 1913 1788 1606 -162 -442 400 O +HETATM 2735 O HOH A1050 -6.712 5.998 43.555 1.00 17.98 O +ANISOU 2735 O HOH A1050 1632 2461 2738 900 265 -8 O +HETATM 2736 O HOH A1051 -1.258 -9.623 52.873 1.00 13.64 O +ANISOU 2736 O HOH A1051 1546 1821 1817 391 226 264 O +HETATM 2737 O HOH A1052 21.998 3.703 17.152 1.00 14.02 O +ANISOU 2737 O HOH A1052 1857 1332 2140 -329 44 26 O +HETATM 2738 O HOH A1053 6.617 -4.337 50.264 1.00 12.21 O +ANISOU 2738 O HOH A1053 1363 1754 1520 51 382 237 O +HETATM 2739 O HOH A1054 34.870 -9.081 24.997 1.00 13.91 O +ANISOU 2739 O HOH A1054 1718 1235 2330 -291 330 -629 O +HETATM 2740 O HOH A1055 -7.392 -8.555 30.674 1.00 15.40 O +ANISOU 2740 O HOH A1055 1247 1832 2773 221 210 366 O +HETATM 2741 O HOH A1056 12.499 -22.186 21.645 1.00 13.53 O +ANISOU 2741 O HOH A1056 1602 1691 1848 138 215 -357 O +HETATM 2742 O HOH A1057 20.333 7.094 19.224 1.00 15.27 O +ANISOU 2742 O HOH A1057 2215 1421 2166 -227 -416 -156 O +HETATM 2743 O HOH A1058 27.655 -8.485 14.292 1.00 15.26 O +ANISOU 2743 O HOH A1058 1773 2233 1791 502 -18 -395 O +HETATM 2744 O HOH A1059 15.866 -3.253 46.357 1.00 12.81 O +ANISOU 2744 O HOH A1059 1294 2114 1458 327 29 7 O +HETATM 2745 O HOH A1060 33.650 -2.882 40.799 1.00 14.99 O +ANISOU 2745 O HOH A1060 1807 2043 1845 166 -725 42 O +HETATM 2746 O HOH A1061 12.654 7.460 27.150 1.00 15.32 O +ANISOU 2746 O HOH A1061 2019 1249 2551 -223 -717 531 O +HETATM 2747 O HOH A1062 16.799 -11.639 49.399 1.00 13.68 O +ANISOU 2747 O HOH A1062 1713 1731 1752 -59 -599 77 O +HETATM 2748 O HOH A1063 14.015 -21.469 19.267 1.00 12.85 O +ANISOU 2748 O HOH A1063 1547 1505 1829 120 -132 -345 O +HETATM 2749 O HOH A1064 -8.275 -15.329 50.726 1.00 15.58 O +ANISOU 2749 O HOH A1064 1121 1779 3022 96 550 38 O +HETATM 2750 O HOH A1065 30.076 1.495 21.776 1.00 11.24 O +ANISOU 2750 O HOH A1065 1470 1210 1591 -358 -255 146 O +HETATM 2751 O HOH A1066 27.452 -23.275 43.934 1.00 12.89 O +ANISOU 2751 O HOH A1066 1603 1951 1345 -188 -341 437 O +HETATM 2752 O HOH A1067 8.814 -23.104 48.382 1.00 16.69 O +ANISOU 2752 O HOH A1067 1398 2743 2199 -664 630 -905 O +HETATM 2753 O HOH A1068 30.600 -21.839 35.089 1.00 12.91 O +ANISOU 2753 O HOH A1068 1279 1451 2175 -492 -633 454 O +HETATM 2754 O HOH A1069 25.222 -13.307 37.788 1.00 16.91 O +ANISOU 2754 O HOH A1069 1482 2061 2880 -330 761 -424 O +HETATM 2755 O HOH A1070 5.680 -19.243 54.028 1.00 19.12 O +ANISOU 2755 O HOH A1070 4082 1290 1891 131 1312 618 O +HETATM 2756 O HOH A1071 4.091 -21.025 30.205 1.00 15.45 O +ANISOU 2756 O HOH A1071 1588 1776 2507 -282 197 -219 O +HETATM 2757 O HOH A1072 17.546 -10.367 15.277 1.00 16.95 O +ANISOU 2757 O HOH A1072 2639 2368 1433 713 -35 44 O +HETATM 2758 O HOH A1073 22.133 -13.311 18.317 1.00 12.60 O +ANISOU 2758 O HOH A1073 1755 1280 1753 -63 103 -110 O +HETATM 2759 O HOH A1074 8.773 -29.566 37.994 1.00 14.68 O +ANISOU 2759 O HOH A1074 2281 1170 2125 19 120 221 O +HETATM 2760 O HOH A1075 2.470 -22.727 31.688 1.00 15.68 O +ANISOU 2760 O HOH A1075 2243 1720 1995 -340 -389 304 O +HETATM 2761 O HOH A1076 33.284 2.044 21.910 1.00 13.10 O +ANISOU 2761 O HOH A1076 1782 1581 1615 116 354 569 O +HETATM 2762 O HOH A1077 35.187 -4.755 24.284 1.00 15.28 O +ANISOU 2762 O HOH A1077 1081 1849 2876 116 327 126 O +HETATM 2763 O HOH A1078 -9.072 -9.461 32.621 1.00 14.65 O +ANISOU 2763 O HOH A1078 1336 1610 2620 280 78 289 O +HETATM 2764 O HOH A1079 0.945 -8.306 53.841 1.00 14.35 O +ANISOU 2764 O HOH A1079 1664 2158 1630 276 445 398 O +HETATM 2765 O HOH A1080 28.239 -27.668 30.862 1.00 14.24 O +ANISOU 2765 O HOH A1080 2020 2014 1378 251 17 -196 O +HETATM 2766 O HOH A1081 -6.233 -4.991 47.378 1.00 22.98 O +ANISOU 2766 O HOH A1081 2019 2321 4393 906 982 1666 O +HETATM 2767 O HOH A1082 5.534 -22.739 28.750 1.00 15.38 O +ANISOU 2767 O HOH A1082 1698 2202 1945 -161 -227 281 O +HETATM 2768 O HOH A1083 1.312 -24.256 34.369 1.00 16.57 O +ANISOU 2768 O HOH A1083 1623 2459 2215 -191 -196 580 O +HETATM 2769 O HOH A1084 13.536 10.765 43.330 1.00 13.89 O +ANISOU 2769 O HOH A1084 2220 1183 1873 293 -511 -157 O +HETATM 2770 O HOH A1085 1.470 -26.698 43.219 1.00 13.63 O +ANISOU 2770 O HOH A1085 1757 1496 1926 -3 513 359 O +HETATM 2771 O HOH A1086 5.685 8.018 42.192 1.00 14.85 O +ANISOU 2771 O HOH A1086 1899 1855 1889 250 301 225 O +HETATM 2772 O HOH A1087 33.218 -13.713 37.677 1.00 17.05 O +ANISOU 2772 O HOH A1087 1612 3042 1822 298 -192 -546 O +HETATM 2773 O HOH A1088 7.069 -30.280 44.760 1.00 19.22 O +ANISOU 2773 O HOH A1088 2642 1831 2828 -1015 -450 798 O +HETATM 2774 O HOH A1089 15.670 0.532 53.602 1.00 16.85 O +ANISOU 2774 O HOH A1089 2635 2331 1435 253 -202 -62 O +HETATM 2775 O HOH A1090 38.475 -0.125 29.526 1.00 16.58 O +ANISOU 2775 O HOH A1090 1643 1910 2747 -108 416 197 O +HETATM 2776 O HOH A1091 -10.565 -10.833 44.062 1.00 22.36 O +ANISOU 2776 O HOH A1091 1474 3124 3899 -102 172 1462 O +HETATM 2777 O HOH A1092 -12.357 -8.114 31.881 1.00 17.77 O +ANISOU 2777 O HOH A1092 1319 2297 3135 307 -408 -703 O +HETATM 2778 O HOH A1093 25.371 -19.221 38.896 1.00 18.61 O +ANISOU 2778 O HOH A1093 2080 3349 1644 -585 24 -543 O +HETATM 2779 O HOH A1094 12.927 -17.711 50.146 1.00 15.38 O +ANISOU 2779 O HOH A1094 2591 1621 1630 71 711 -34 O +HETATM 2780 O HOH A1095 27.575 16.134 32.327 1.00 18.98 O +ANISOU 2780 O HOH A1095 2243 1614 3356 451 1331 284 O +HETATM 2781 O HOH A1096 29.786 11.008 38.716 1.00 14.66 O +ANISOU 2781 O HOH A1096 1888 1751 1931 -403 -75 580 O +HETATM 2782 O HOH A1097 11.845 -28.549 27.064 1.00 17.77 O +ANISOU 2782 O HOH A1097 2291 1229 3231 -271 523 -703 O +HETATM 2783 O HOH A1098 32.439 -12.288 39.758 1.00 21.43 O +ANISOU 2783 O HOH A1098 5312 1227 1605 609 -1172 35 O +HETATM 2784 O HOH A1099 13.006 0.088 52.965 1.00 17.02 O +ANISOU 2784 O HOH A1099 2249 2195 2022 -101 7 236 O +HETATM 2785 O HOH A1100 11.799 -24.594 55.917 1.00 22.97 O +ANISOU 2785 O HOH A1100 3157 3531 2039 1758 378 948 O +HETATM 2786 O HOH A1101 21.781 -5.433 37.562 1.00 16.59 O +ANISOU 2786 O HOH A1101 2104 1564 2635 126 -523 414 O +HETATM 2787 O HOH A1102 36.754 -15.010 26.169 1.00 21.17 O +ANISOU 2787 O HOH A1102 2464 2176 3404 -490 600 1308 O +HETATM 2788 O HOH A1103 24.226 17.559 32.322 1.00 15.52 O +ANISOU 2788 O HOH A1103 1814 1129 2955 -81 183 -380 O +HETATM 2789 O HOH A1104 -3.714 -14.336 24.972 1.00 19.22 O +ANISOU 2789 O HOH A1104 3051 2064 2187 -497 -813 315 O +HETATM 2790 O HOH A1105 15.579 19.061 30.150 1.00 16.73 O +ANISOU 2790 O HOH A1105 2655 1142 2559 -218 -27 -249 O +HETATM 2791 O HOH A1106 20.932 -0.685 17.485 1.00 15.62 O +ANISOU 2791 O HOH A1106 2814 1321 1798 116 -69 66 O +HETATM 2792 O HOH A1107 32.297 -22.750 33.259 1.00 19.21 O +ANISOU 2792 O HOH A1107 1290 1800 4210 -46 -393 523 O +HETATM 2793 O HOH A1108 20.886 -7.788 38.806 1.00 16.75 O +ANISOU 2793 O HOH A1108 2480 1570 2313 246 -90 -219 O +HETATM 2794 O HOH A1109 11.095 -0.318 54.952 1.00 22.36 O +ANISOU 2794 O HOH A1109 3239 2345 2913 -21 -416 -139 O +HETATM 2795 O HOH A1110 24.681 -14.743 35.582 1.00 17.27 O +ANISOU 2795 O HOH A1110 3425 1113 2026 -466 780 -86 O +HETATM 2796 O HOH A1111 1.281 -26.914 47.357 1.00 22.56 O +ANISOU 2796 O HOH A1111 2022 2890 3660 885 1139 1364 O +HETATM 2797 O HOH A1112 30.540 -1.524 14.743 1.00 25.03 O +ANISOU 2797 O HOH A1112 5224 2571 1717 -1084 693 482 O +HETATM 2798 O HOH A1113 -8.731 -22.211 47.387 1.00 18.06 O +ANISOU 2798 O HOH A1113 2338 2658 1865 -171 705 421 O +HETATM 2799 O HOH A1114 35.553 -7.683 20.300 1.00 20.92 O +ANISOU 2799 O HOH A1114 2151 1807 3990 -443 927 -710 O +HETATM 2800 O HOH A1115 6.895 2.550 52.837 1.00 19.41 O +ANISOU 2800 O HOH A1115 2782 2135 2459 377 693 -584 O +HETATM 2801 O HOH A1116 4.091 -21.389 54.634 1.00 17.58 O +ANISOU 2801 O HOH A1116 2574 1882 2224 1041 1037 947 O +HETATM 2802 O HOH A1117 4.888 -2.985 21.022 1.00 24.64 O +ANISOU 2802 O HOH A1117 2901 3511 2951 -598 1082 304 O +HETATM 2803 O HOH A1118 -2.718 -19.840 35.319 1.00 19.52 O +ANISOU 2803 O HOH A1118 1702 1703 4010 -224 -463 286 O +HETATM 2804 O HOH A1119 -0.060 7.278 44.923 1.00 20.31 O +ANISOU 2804 O HOH A1119 1970 2376 3372 452 41 -287 O +HETATM 2805 O HOH A1120 -7.450 -0.752 34.559 1.00 22.51 O +ANISOU 2805 O HOH A1120 3484 2175 2895 -99 142 -103 O +HETATM 2806 O HOH A1121 36.471 -8.378 36.900 1.00 23.71 O +ANISOU 2806 O HOH A1121 1753 4530 2727 1453 514 1844 O +HETATM 2807 O HOH A1122 -10.952 -12.211 36.686 1.00 18.10 O +ANISOU 2807 O HOH A1122 1497 3690 1689 270 -99 464 O +HETATM 2808 O HOH A1123 -10.364 -21.011 43.973 1.00 22.95 O +ANISOU 2808 O HOH A1123 2695 3796 2228 -869 1036 -255 O +HETATM 2809 O HOH A1124 7.641 5.283 23.485 1.00 19.20 O +ANISOU 2809 O HOH A1124 2383 2062 2848 446 -659 509 O +HETATM 2810 O HOH A1125 8.289 -25.766 54.767 1.00 16.87 O +ANISOU 2810 O HOH A1125 1846 2011 2553 188 75 586 O +HETATM 2811 O HOH A1126 19.729 8.596 50.136 1.00 21.75 O +ANISOU 2811 O HOH A1126 3547 1964 2753 -926 730 -469 O +HETATM 2812 O HOH A1127 18.546 9.648 21.125 1.00 26.10 O +ANISOU 2812 O HOH A1127 1695 5817 2403 78 -172 -922 O +HETATM 2813 O HOH A1128 26.171 17.352 41.385 1.00 20.00 O +ANISOU 2813 O HOH A1128 2687 2220 2692 -253 690 -190 O +HETATM 2814 O HOH A1129 33.142 13.246 36.960 1.00 16.32 O +ANISOU 2814 O HOH A1129 1425 2248 2527 -188 -205 23 O +HETATM 2815 O HOH A1130 13.612 -18.751 58.640 1.00 18.65 O +ANISOU 2815 O HOH A1130 2386 3077 1622 902 -353 -526 O +HETATM 2816 O HOH A1131 9.274 8.465 25.882 1.00 24.08 O +ANISOU 2816 O HOH A1131 3476 1987 3688 882 183 619 O +HETATM 2817 O HOH A1132 15.973 2.200 20.813 1.00 26.95 O +ANISOU 2817 O HOH A1132 2054 4755 3428 -1161 -228 907 O +HETATM 2818 O HOH A1133 21.981 -4.742 45.524 1.00 36.95 O +ANISOU 2818 O HOH A1133 3395 5616 5028 1408 208 855 O +HETATM 2819 O HOH A1134 -1.416 -26.223 37.516 1.00 27.23 O +ANISOU 2819 O HOH A1134 1798 4118 4428 -923 -684 1693 O +HETATM 2820 O HOH A1135 35.109 -9.070 42.756 1.00 20.76 O +ANISOU 2820 O HOH A1135 2720 2912 2255 -72 -414 418 O +HETATM 2821 O HOH A1136 12.372 14.203 39.415 1.00 21.34 O +ANISOU 2821 O HOH A1136 3151 1446 3509 415 168 193 O +HETATM 2822 O HOH A1137 -6.710 -5.769 50.095 1.00 19.71 O +ANISOU 2822 O HOH A1137 1773 2938 2777 301 -42 469 O +HETATM 2823 O HOH A1138 18.873 5.462 22.726 1.00 23.09 O +ANISOU 2823 O HOH A1138 2320 1944 4508 779 -881 -1238 O +HETATM 2824 O HOH A1139 -7.103 -24.494 47.735 1.00 24.50 O +ANISOU 2824 O HOH A1139 2867 2734 3708 596 1332 1033 O +HETATM 2825 O HOH A1140 33.973 -9.835 39.279 1.00 22.40 O +ANISOU 2825 O HOH A1140 3154 1061 4297 388 -1652 -311 O +HETATM 2826 O HOH A1141 -8.379 -18.678 32.797 1.00 28.63 O +ANISOU 2826 O HOH A1141 3311 3676 3890 -518 536 -958 O +HETATM 2827 O HOH A1142 -2.127 1.188 30.557 1.00 25.32 O +ANISOU 2827 O HOH A1142 3450 3566 2604 1257 -42 103 O +HETATM 2828 O HOH A1143 18.978 4.842 53.338 1.00 28.58 O +ANISOU 2828 O HOH A1143 4979 3767 2113 460 -1331 -316 O +HETATM 2829 O HOH A1144 23.943 -25.968 38.083 1.00 25.27 O +ANISOU 2829 O HOH A1144 2891 2741 3969 -1464 -577 813 O +HETATM 2830 O HOH A1145 34.718 -20.923 29.598 1.00 23.08 O +ANISOU 2830 O HOH A1145 2616 1514 4638 829 2099 1253 O +HETATM 2831 O HOH A1146 33.575 -4.806 42.582 1.00 18.21 O +ANISOU 2831 O HOH A1146 2927 1808 2184 -105 -726 95 O +HETATM 2832 O HOH A1147 15.972 17.922 35.363 1.00 19.41 O +ANISOU 2832 O HOH A1147 2602 2130 2641 925 316 -480 O +HETATM 2833 O HOH A1148 13.378 -9.383 56.338 1.00 23.09 O +ANISOU 2833 O HOH A1148 4114 2885 1774 -483 -666 190 O +HETATM 2834 O HOH A1149 4.721 -13.934 22.577 1.00 20.20 O +ANISOU 2834 O HOH A1149 1790 2145 3739 -278 -246 94 O +HETATM 2835 O HOH A1150 38.526 -21.005 28.845 1.00 34.37 O +ANISOU 2835 O HOH A1150 5287 2919 4855 2789 56 -430 O +HETATM 2836 O HOH A1151 13.745 -30.558 33.278 1.00 23.05 O +ANISOU 2836 O HOH A1151 2934 3230 2595 -10 363 -372 O +HETATM 2837 O HOH A1152 1.612 -20.189 58.316 1.00 22.10 O +ANISOU 2837 O HOH A1152 3470 3130 1798 652 833 583 O +HETATM 2838 O HOH A1153 23.178 -22.694 44.365 1.00 19.39 O +ANISOU 2838 O HOH A1153 2258 2872 2237 635 -303 37 O +HETATM 2839 O HOH A1154 22.288 -14.925 34.676 1.00 19.46 O +ANISOU 2839 O HOH A1154 2653 2763 1977 1096 301 492 O +HETATM 2840 O HOH A1155 -4.885 -1.212 30.914 1.00 22.73 O +ANISOU 2840 O HOH A1155 3444 1979 3214 57 404 102 O +HETATM 2841 O HOH A1156 4.870 6.705 25.643 1.00 19.92 O +ANISOU 2841 O HOH A1156 2484 1708 3375 -33 -1111 337 O +HETATM 2842 O HOH A1157 12.037 9.233 31.248 1.00 32.14 O +ANISOU 2842 O HOH A1157 1938 3221 7054 705 1395 2187 O +HETATM 2843 O HOH A1158 17.163 -8.607 47.246 1.00 35.08 O +ANISOU 2843 O HOH A1158 3044 4753 5530 -1299 -344 192 O +HETATM 2844 O HOH A1159 4.948 -15.399 24.742 1.00 19.17 O +ANISOU 2844 O HOH A1159 2042 1910 3330 458 -731 -618 O +HETATM 2845 O HOH A1160 23.270 -0.354 52.489 1.00 26.64 O +ANISOU 2845 O HOH A1160 3179 3488 3454 -392 -1122 1261 O +HETATM 2846 O HOH A1161 18.930 -3.120 43.676 1.00 23.98 O +ANISOU 2846 O HOH A1161 1842 4933 2337 -1096 288 -629 O +HETATM 2847 O HOH A1162 27.771 -7.801 44.107 1.00 21.98 O +ANISOU 2847 O HOH A1162 2002 2925 3423 348 523 270 O +HETATM 2848 O HOH A1163 -5.463 0.406 36.226 1.00 17.96 O +ANISOU 2848 O HOH A1163 1856 2268 2698 442 408 511 O +HETATM 2849 O HOH A1164 4.053 -30.339 38.523 1.00 18.76 O +ANISOU 2849 O HOH A1164 1923 1971 3235 -225 -122 -297 O +HETATM 2850 O HOH A1165 35.959 -5.679 27.951 1.00 22.64 O +ANISOU 2850 O HOH A1165 1660 2733 4210 -429 -39 -1761 O +HETATM 2851 O HOH A1166 3.348 -28.716 43.110 1.00 22.32 O +ANISOU 2851 O HOH A1166 2547 2586 3346 256 796 1351 O +HETATM 2852 O HOH A1167 23.941 5.221 49.190 1.00 34.50 O +ANISOU 2852 O HOH A1167 4650 4812 3647 -2082 -1484 2136 O +HETATM 2853 O HOH A1168 11.811 -5.949 15.239 1.00 26.87 O +ANISOU 2853 O HOH A1168 3819 3542 2849 290 -809 714 O +HETATM 2854 O HOH A1169 -4.717 -2.667 49.105 1.00 27.47 O +ANISOU 2854 O HOH A1169 2404 3309 4725 517 -286 2078 O +HETATM 2855 O HOH A1170 5.892 9.641 31.836 1.00 22.25 O +ANISOU 2855 O HOH A1170 3521 1874 3060 197 568 459 O +HETATM 2856 O HOH A1171 40.427 -19.950 33.766 1.00 28.95 O +ANISOU 2856 O HOH A1171 2724 3011 5264 -131 -876 -1016 O +HETATM 2857 O HOH A1172 2.640 -17.575 28.626 1.00 21.74 O +ANISOU 2857 O HOH A1172 2208 3160 2891 638 391 623 O +HETATM 2858 O HOH A1173 23.308 -10.411 17.184 1.00 17.41 O +ANISOU 2858 O HOH A1173 1746 2785 2084 69 45 346 O +HETATM 2859 O HOH A1174 2.717 -28.520 33.763 1.00 25.45 O +ANISOU 2859 O HOH A1174 3540 2181 3948 -1714 215 -324 O +HETATM 2860 O HOH A1175 12.069 10.203 46.796 1.00 23.35 O +ANISOU 2860 O HOH A1175 3053 2616 3203 341 -270 -1092 O +HETATM 2861 O HOH A1176 -4.713 -17.964 30.132 1.00 24.93 O +ANISOU 2861 O HOH A1176 3001 2329 4142 231 -1355 -1024 O +HETATM 2862 O HOH A1177 -3.290 3.208 48.461 1.00 26.22 O +ANISOU 2862 O HOH A1177 2457 3623 3882 203 -52 1672 O +HETATM 2863 O HOH A1178 -5.644 -7.475 27.602 1.00 26.58 O +ANISOU 2863 O HOH A1178 1855 4087 4155 -111 35 2377 O +HETATM 2864 O HOH A1179 -11.082 -12.529 39.461 1.00 17.90 O +ANISOU 2864 O HOH A1179 1720 3282 1801 -360 -78 263 O +HETATM 2865 O HOH A1180 10.943 -16.739 49.534 1.00 31.77 O +ANISOU 2865 O HOH A1180 3618 3540 4913 -1313 1628 -1213 O +HETATM 2866 O HOH A1181 25.878 -10.323 16.040 1.00 25.33 O +ANISOU 2866 O HOH A1181 2402 5526 1696 1582 -17 -442 O +HETATM 2867 O HOH A1182 1.113 -18.288 59.899 1.00 18.79 O +ANISOU 2867 O HOH A1182 1830 1879 3429 366 -330 274 O +HETATM 2868 O HOH A1183 3.511 -9.075 23.566 1.00 25.20 O +ANISOU 2868 O HOH A1183 2162 2616 4795 668 1421 1191 O +HETATM 2869 O HOH A1184 8.783 9.428 28.708 1.00 21.21 O +ANISOU 2869 O HOH A1184 2011 1989 4059 -24 320 914 O +HETATM 2870 O HOH A1185 35.691 -16.078 34.567 1.00 24.12 O +ANISOU 2870 O HOH A1185 2793 3415 2957 -131 -107 -306 O +HETATM 2871 O HOH A1186 31.357 -7.463 45.679 1.00 20.24 O +ANISOU 2871 O HOH A1186 3269 1858 2565 -1116 313 -39 O +HETATM 2872 O HOH A1187 22.284 0.298 47.747 1.00 19.97 O +ANISOU 2872 O HOH A1187 2393 2379 2817 -444 243 -18 O +HETATM 2873 O HOH A1188 -6.085 7.538 40.888 1.00 26.56 O +ANISOU 2873 O HOH A1188 2709 2538 4845 1415 -990 -425 O +HETATM 2874 O HOH A1189 16.297 -3.417 14.723 1.00 28.01 O +ANISOU 2874 O HOH A1189 2416 2292 5933 26 -877 1669 O +HETATM 2875 O HOH A1190 -6.552 -5.240 53.354 1.00 22.81 O +ANISOU 2875 O HOH A1190 1945 1690 5030 331 515 188 O +HETATM 2876 O HOH A1191 3.061 4.254 49.661 1.00 22.90 O +ANISOU 2876 O HOH A1191 3255 2624 2823 236 -204 -621 O +HETATM 2877 O HOH A1192 27.967 10.464 43.637 1.00 20.93 O +ANISOU 2877 O HOH A1192 2424 3009 2520 34 -165 -154 O +HETATM 2878 O HOH A1193 6.613 -5.166 54.571 1.00 31.68 O +ANISOU 2878 O HOH A1193 4049 4094 3895 -821 2408 -996 O +HETATM 2879 O HOH A1194 14.800 -26.138 40.461 1.00 23.50 O +ANISOU 2879 O HOH A1194 2826 1678 4425 -9 88 -428 O +HETATM 2880 O HOH A1195 -9.413 -18.546 39.920 1.00 23.91 O +ANISOU 2880 O HOH A1195 2172 4106 2805 1102 -1065 -1153 O +HETATM 2881 O HOH A1196 33.192 0.789 19.545 1.00 36.85 O +ANISOU 2881 O HOH A1196 5345 4949 3709 -1364 -1609 -1012 O +HETATM 2882 O HOH A1197 28.365 10.963 41.007 1.00 28.05 O +ANISOU 2882 O HOH A1197 3587 4810 2262 -759 46 -456 O +HETATM 2883 O HOH A1198 23.940 20.835 38.589 1.00 31.66 O +ANISOU 2883 O HOH A1198 3223 4741 4068 -2273 266 -1758 O +HETATM 2884 O HOH A1199 -3.864 -1.462 24.294 1.00 31.90 O +ANISOU 2884 O HOH A1199 4306 4124 3690 1624 -1099 953 O +HETATM 2885 O HOH A1200 19.377 -18.122 42.478 1.00 27.91 O +ANISOU 2885 O HOH A1200 4410 3452 2742 -736 -54 1273 O +HETATM 2886 O HOH A1201 39.474 -22.177 37.454 1.00 34.86 O +ANISOU 2886 O HOH A1201 3570 4637 5039 -595 -468 1902 O +HETATM 2887 O HOH A1202 24.802 15.860 44.463 1.00 21.66 O +ANISOU 2887 O HOH A1202 2916 2652 2661 -607 264 -139 O +HETATM 2888 O HOH A1203 -9.694 -5.365 43.939 1.00 33.79 O +ANISOU 2888 O HOH A1203 2212 7089 3537 2264 -613 -528 O +HETATM 2889 O HOH A1204 5.660 -28.817 30.972 1.00 21.49 O +ANISOU 2889 O HOH A1204 2941 2777 2445 -816 245 -714 O +HETATM 2890 O HOH A1205 -3.481 -24.369 41.122 1.00 34.68 O +ANISOU 2890 O HOH A1205 2571 5484 5120 -787 122 -865 O +HETATM 2891 O HOH A1206 16.896 -27.568 34.160 1.00 32.65 O +ANISOU 2891 O HOH A1206 3492 2854 6059 650 -958 1250 O +HETATM 2892 O HOH A1207 27.085 12.299 47.209 1.00 40.38 O +ANISOU 2892 O HOH A1207 6752 4533 4057 -1808 553 -1855 O +HETATM 2893 O HOH A1208 12.012 8.671 24.586 1.00 23.48 O +ANISOU 2893 O HOH A1208 3021 3472 2428 78 637 448 O +HETATM 2894 O HOH A1209 18.134 -31.717 32.392 1.00 30.53 O +ANISOU 2894 O HOH A1209 3994 3088 4517 1730 230 142 O +HETATM 2895 O HOH A1210 34.865 -15.597 37.030 1.00 17.61 O +ANISOU 2895 O HOH A1210 1699 2359 2634 131 -286 89 O +HETATM 2896 O HOH A1211 35.080 -3.513 17.331 1.00 35.18 O +ANISOU 2896 O HOH A1211 3036 4561 5769 -1099 190 197 O +HETATM 2897 O HOH A1212 36.690 4.104 24.001 1.00 26.35 O +ANISOU 2897 O HOH A1212 2443 2190 5380 -160 577 761 O +HETATM 2898 O HOH A1213 35.859 -11.918 31.716 1.00 12.93 O +ANISOU 2898 O HOH A1213 1220 1137 2555 -61 -220 -230 O +HETATM 2899 O HOH A1214 4.033 -5.160 50.954 1.00 15.48 O +ANISOU 2899 O HOH A1214 1486 2655 1739 -228 168 69 O +HETATM 2900 O HOH A1215 37.759 -10.618 33.167 1.00 16.84 O +ANISOU 2900 O HOH A1215 1777 1773 2849 -436 -661 181 O +HETATM 2901 O HOH A1216 27.828 18.212 35.057 1.00 17.60 O +ANISOU 2901 O HOH A1216 1901 3021 1765 302 1 257 O +HETATM 2902 O HOH A1217 22.576 -0.073 15.182 1.00 19.85 O +ANISOU 2902 O HOH A1217 2940 2363 2239 -538 76 451 O +HETATM 2903 O HOH A1218 35.966 -21.523 31.915 1.00 22.36 O +ANISOU 2903 O HOH A1218 1902 1666 4928 358 62 -109 O +HETATM 2904 O HOH A1219 18.339 19.386 36.586 1.00 19.95 O +ANISOU 2904 O HOH A1219 2838 2423 2318 -267 800 -438 O +HETATM 2905 O HOH A1220 23.653 2.598 15.261 1.00 16.79 O +ANISOU 2905 O HOH A1220 2669 1940 1770 -592 -67 75 O +HETATM 2906 O HOH A1221 8.235 4.724 21.268 1.00 22.90 O +ANISOU 2906 O HOH A1221 2058 3344 3301 640 69 1192 O +HETATM 2907 O HOH A1222 4.011 -23.957 53.784 1.00 18.27 O +ANISOU 2907 O HOH A1222 2352 2353 2236 879 -173 599 O +HETATM 2908 O HOH A1223 2.538 6.604 45.365 1.00 20.65 O +ANISOU 2908 O HOH A1223 2237 2455 3154 178 420 349 O +HETATM 2909 O HOH A1224 18.797 -12.811 15.440 1.00 20.50 O +ANISOU 2909 O HOH A1224 3925 1686 2178 -671 1186 -7 O +HETATM 2910 O HOH A1225 34.645 10.856 36.374 1.00 20.96 O +ANISOU 2910 O HOH A1225 2349 3080 2536 293 -778 -362 O +HETATM 2911 O HOH A1226 34.415 15.706 36.172 1.00 22.92 O +ANISOU 2911 O HOH A1226 2021 2986 3702 19 -112 1224 O +HETATM 2912 O HOH A1227 37.284 7.086 28.934 1.00 16.49 O +ANISOU 2912 O HOH A1227 1893 1686 2688 168 -42 207 O +HETATM 2913 O HOH A1228 23.213 -6.972 14.102 1.00 22.49 O +ANISOU 2913 O HOH A1228 1880 3781 2886 -264 502 180 O +HETATM 2914 O HOH A1229 31.861 -25.487 32.882 1.00 23.05 O +ANISOU 2914 O HOH A1229 2944 2450 3363 -654 -718 348 O +HETATM 2915 O HOH A1230 35.865 -7.316 23.236 1.00 17.92 O +ANISOU 2915 O HOH A1230 1564 1717 3528 12 329 204 O +HETATM 2916 O HOH A1231 36.643 7.354 31.386 1.00 18.76 O +ANISOU 2916 O HOH A1231 2273 1800 3054 -81 390 168 O +HETATM 2917 O HOH A1232 24.017 -18.056 36.931 1.00 18.02 O +ANISOU 2917 O HOH A1232 2276 1843 2729 -820 516 -888 O +HETATM 2918 O HOH A1233 6.422 -30.591 36.938 1.00 20.96 O +ANISOU 2918 O HOH A1233 2885 2329 2750 -512 -814 88 O +HETATM 2919 O HOH A1234 24.642 -1.567 15.114 1.00 24.36 O +ANISOU 2919 O HOH A1234 2651 4158 2448 362 -20 1054 O +HETATM 2920 O HOH A1235 19.958 -9.184 14.513 1.00 22.62 O +ANISOU 2920 O HOH A1235 2647 3879 2068 -787 -301 -452 O +HETATM 2921 O HOH A1236 26.177 3.252 15.736 1.00 23.78 O +ANISOU 2921 O HOH A1236 2606 4043 2388 67 225 -383 O +HETATM 2922 O HOH A1237 35.339 -25.080 37.676 1.00 36.12 O +ANISOU 2922 O HOH A1237 5489 2857 5377 1267 -1071 -689 O +HETATM 2923 O HOH A1238 24.629 -14.036 17.024 1.00 33.54 O +ANISOU 2923 O HOH A1238 2346 8078 2319 776 758 -138 O +HETATM 2924 O HOH A1239 4.560 -9.011 57.969 1.00 29.67 O +ANISOU 2924 O HOH A1239 3625 5496 2153 -337 688 -208 O +HETATM 2925 O HOH A1240 -7.016 -19.584 51.097 1.00 23.46 O +ANISOU 2925 O HOH A1240 3621 2831 2464 -433 904 -180 O +HETATM 2926 O HOH A1241 -11.523 -8.577 44.636 1.00 27.10 O +ANISOU 2926 O HOH A1241 1704 4377 4216 385 -377 -225 O +HETATM 2927 O HOH A1242 -8.497 -3.963 46.603 1.00 31.70 O +ANISOU 2927 O HOH A1242 2987 5352 3707 949 831 1108 O +HETATM 2928 O HOH A1243 5.812 -27.574 49.625 1.00 21.99 O +ANISOU 2928 O HOH A1243 3110 3230 2016 829 750 841 O +HETATM 2929 O HOH A1244 18.169 6.582 20.529 1.00 20.84 O +ANISOU 2929 O HOH A1244 3539 2193 2187 478 66 146 O +HETATM 2930 O HOH A1245 13.643 -15.886 55.672 1.00 28.55 O +ANISOU 2930 O HOH A1245 4394 4080 2374 -964 488 202 O +HETATM 2931 O HOH A1246 36.245 -13.405 15.699 1.00 20.82 O +ANISOU 2931 O HOH A1246 1812 1659 4440 122 -182 -528 O +HETATM 2932 O HOH A1247 4.766 7.805 28.298 1.00 20.23 O +ANISOU 2932 O HOH A1247 2231 2524 2930 507 -674 -128 O +HETATM 2933 O HOH A1248 27.189 -0.472 15.981 1.00 24.80 O +ANISOU 2933 O HOH A1248 3192 3594 2636 -306 -272 993 O +HETATM 2934 O HOH A1249 35.325 -8.577 27.672 1.00 21.15 O +ANISOU 2934 O HOH A1249 2739 2817 2481 147 -609 -993 O +HETATM 2935 O HOH A1250 1.986 -24.833 29.970 1.00 30.75 O +ANISOU 2935 O HOH A1250 3754 4210 3719 -1003 -2027 -70 O +HETATM 2936 O HOH A1251 10.414 -29.378 35.747 1.00 24.40 O +ANISOU 2936 O HOH A1251 3670 2725 2877 552 742 -214 O +HETATM 2937 O HOH A1252 13.068 -29.804 35.803 1.00 21.95 O +ANISOU 2937 O HOH A1252 2974 2892 2474 869 -3 147 O +HETATM 2938 O HOH A1253 39.702 -17.285 41.334 1.00 21.27 O +ANISOU 2938 O HOH A1253 2380 3346 2356 -326 374 -411 O +HETATM 2939 O HOH A1254 4.470 -30.012 45.455 1.00 27.93 O +ANISOU 2939 O HOH A1254 2633 2979 4999 -749 -219 2031 O +HETATM 2940 O HOH A1255 35.963 -2.752 22.501 1.00 22.29 O +ANISOU 2940 O HOH A1255 2312 2349 3807 -454 1180 -142 O +HETATM 2941 O HOH A1256 -8.785 -3.265 31.124 1.00 25.16 O +ANISOU 2941 O HOH A1256 2343 4423 2792 1337 394 856 O +HETATM 2942 O HOH A1257 9.266 -28.374 54.534 1.00 29.18 O +ANISOU 2942 O HOH A1257 3413 4825 2848 935 372 1549 O +HETATM 2943 O HOH A1258 5.612 -22.322 25.838 1.00 21.99 O +ANISOU 2943 O HOH A1258 2806 2456 3094 74 233 1007 O +HETATM 2944 O HOH A1259 4.064 8.574 44.191 1.00 23.53 O +ANISOU 2944 O HOH A1259 2980 2697 3262 -428 1593 -154 O +HETATM 2945 O HOH A1260 9.577 6.695 48.803 1.00 36.75 O +ANISOU 2945 O HOH A1260 6115 3493 4355 1490 1899 1942 O +HETATM 2946 O HOH A1261 2.998 6.558 48.234 1.00 24.16 O +ANISOU 2946 O HOH A1261 3153 2953 3073 -568 801 -295 O +HETATM 2947 O HOH A1262 24.740 22.726 36.515 1.00 21.43 O +ANISOU 2947 O HOH A1262 2629 2713 2799 -160 -220 972 O +HETATM 2948 O HOH A1263 36.049 2.135 22.247 1.00 22.02 O +ANISOU 2948 O HOH A1263 1712 2818 3837 -243 436 346 O +HETATM 2949 O HOH A1264 3.197 -29.332 31.199 1.00 34.07 O +ANISOU 2949 O HOH A1264 3444 5618 3883 -824 -1065 -526 O +HETATM 2950 O HOH A1265 31.343 -24.110 36.417 1.00 25.22 O +ANISOU 2950 O HOH A1265 4023 2183 3377 23 -1097 719 O +HETATM 2951 O HOH A1266 11.352 12.424 31.458 1.00 34.38 O +ANISOU 2951 O HOH A1266 4873 5649 2541 -2242 223 -1480 O +HETATM 2952 O HOH A1267 9.951 -31.369 39.712 1.00 29.38 O +ANISOU 2952 O HOH A1267 3579 2962 4621 1069 376 2000 O +HETATM 2953 O HOH A1268 31.031 -5.354 47.317 1.00 20.59 O +ANISOU 2953 O HOH A1268 2981 2426 2417 -309 20 317 O +HETATM 2954 O HOH A1269 35.543 -16.620 39.832 1.00 36.68 O +ANISOU 2954 O HOH A1269 5616 6589 1732 -2641 -77 -1406 O +HETATM 2955 O HOH A1270 7.357 11.520 33.151 1.00 24.64 O +ANISOU 2955 O HOH A1270 3157 2719 3485 -271 133 -633 O +HETATM 2956 O HOH A1271 10.688 17.754 22.273 1.00 44.81 O +ANISOU 2956 O HOH A1271 6213 5488 5326 29 37 974 O +HETATM 2957 O HOH A1272 24.459 3.902 45.027 1.00 28.59 O +ANISOU 2957 O HOH A1272 3249 4110 3503 322 -491 1694 O +HETATM 2958 O HOH A1273 38.287 -14.434 28.866 1.00 36.43 O +ANISOU 2958 O HOH A1273 6239 4856 2745 -2510 -1309 494 O +HETATM 2959 O HOH A1274 37.132 -4.466 26.130 1.00 26.56 O +ANISOU 2959 O HOH A1274 1723 4067 4303 13 -27 -38 O +HETATM 2960 O HOH A1275 16.049 -27.876 38.782 1.00 25.66 O +ANISOU 2960 O HOH A1275 2287 3998 3463 158 603 -842 O +HETATM 2961 O HOH A1276 22.690 2.665 43.689 1.00 35.22 O +ANISOU 2961 O HOH A1276 4114 1423 7847 251 -3044 -979 O +HETATM 2962 O HOH A1277 17.097 9.219 49.898 1.00 23.54 O +ANISOU 2962 O HOH A1277 4259 2453 2231 -825 -854 -669 O +HETATM 2963 O HOH A1278 22.571 -26.591 39.804 1.00 37.50 O +ANISOU 2963 O HOH A1278 5217 3294 5738 118 -1154 563 O +HETATM 2964 O HOH A1279 -10.742 -11.830 32.598 1.00 19.82 O +ANISOU 2964 O HOH A1279 1571 2308 3651 -5 -85 -24 O +HETATM 2965 O HOH A1280 11.802 -12.604 16.036 1.00 28.56 O +ANISOU 2965 O HOH A1280 4077 3787 2987 -346 -1251 790 O +HETATM 2966 O HOH A1281 36.548 0.250 40.284 1.00 23.83 O +ANISOU 2966 O HOH A1281 2106 4372 2578 279 -733 -691 O +HETATM 2967 O HOH A1282 8.320 -15.063 18.213 1.00 28.17 O +ANISOU 2967 O HOH A1282 2499 4430 3774 638 -1056 136 O +HETATM 2968 O HOH A1283 16.394 -20.390 29.012 1.00 26.37 O +ANISOU 2968 O HOH A1283 3919 2559 3541 523 -252 -258 O +HETATM 2969 O HOH A1284 23.266 -8.944 43.284 1.00 34.41 O +ANISOU 2969 O HOH A1284 4637 5249 3188 -285 1829 -39 O +HETATM 2970 O HOH A1285 7.211 5.526 48.876 1.00 48.22 O +ANISOU 2970 O HOH A1285 6349 3375 8599 3064 -3950 -2062 O +HETATM 2971 O HOH A1286 -6.887 -16.663 53.203 1.00 36.12 O +ANISOU 2971 O HOH A1286 5917 3140 4668 -1411 -1452 472 O +HETATM 2972 O HOH A1287 -6.515 -2.764 29.513 1.00 24.31 O +ANISOU 2972 O HOH A1287 2271 4757 2210 1124 129 357 O +HETATM 2973 O HOH A1288 -12.990 -2.194 40.381 1.00 25.96 O +ANISOU 2973 O HOH A1288 1625 4351 3887 389 -103 287 O +HETATM 2974 O HOH A1289 16.988 -15.450 44.724 1.00 33.44 O +ANISOU 2974 O HOH A1289 3947 3704 5054 -2207 -1885 112 O +HETATM 2975 O HOH A1290 16.195 -0.506 18.674 1.00 32.54 O +ANISOU 2975 O HOH A1290 1725 5168 5469 -103 -439 -183 O +HETATM 2976 O HOH A1291 -8.015 0.441 45.450 1.00 42.66 O +ANISOU 2976 O HOH A1291 3328 7404 5476 658 2055 -1355 O +HETATM 2977 O HOH A1292 30.975 -29.199 34.460 1.00 24.42 O +ANISOU 2977 O HOH A1292 2933 2789 3558 649 -1005 -897 O +HETATM 2978 O HOH A1293 -6.102 -13.889 23.823 1.00 34.17 O +ANISOU 2978 O HOH A1293 3024 5202 4757 -1704 -1823 1602 O +HETATM 2979 O HOH A1294 36.792 10.617 34.569 1.00 26.05 O +ANISOU 2979 O HOH A1294 3026 3315 3556 -462 -973 611 O +HETATM 2980 O HOH A1295 29.747 -13.641 40.048 1.00 21.39 O +ANISOU 2980 O HOH A1295 3796 1944 2388 265 1241 -58 O +HETATM 2981 O HOH A1296 23.957 -28.004 35.836 1.00 29.26 O +ANISOU 2981 O HOH A1296 5528 1853 3735 596 1055 -163 O +HETATM 2982 O HOH A1297 -6.545 -4.879 28.380 1.00 37.04 O +ANISOU 2982 O HOH A1297 2694 5877 5502 -218 -251 247 O +HETATM 2983 O HOH A1298 11.207 13.218 42.133 1.00 26.65 O +ANISOU 2983 O HOH A1298 4920 2746 2460 1223 496 -93 O +HETATM 2984 O HOH A1299 -0.438 8.103 40.850 1.00 26.04 O +ANISOU 2984 O HOH A1299 3782 2470 3641 199 2095 224 O +HETATM 2985 O HOH A1300 31.967 -26.727 35.075 1.00 30.88 O +ANISOU 2985 O HOH A1300 3207 3631 4893 -609 -2164 422 O +HETATM 2986 O HOH A1301 -5.530 -0.534 47.496 1.00 26.46 O +ANISOU 2986 O HOH A1301 2683 4127 3244 -275 432 115 O +HETATM 2987 O HOH A1302 0.483 -26.634 33.540 1.00 33.55 O +ANISOU 2987 O HOH A1302 3671 3773 5304 -854 -1792 -648 O +HETATM 2988 O HOH A1303 12.376 12.049 25.268 0.50 38.08 O +ANISOU 2988 O HOH A1303 5422 4496 4550 1650 -110 -782 O +HETATM 2989 O HOH A1304 36.367 -0.403 23.054 1.00 36.83 O +ANISOU 2989 O HOH A1304 6958 2726 4311 -804 896 -435 O +HETATM 2990 O HOH A1305 28.855 -4.375 46.776 1.00 30.61 O +ANISOU 2990 O HOH A1305 4270 4762 2597 1278 618 859 O +HETATM 2991 O HOH A1306 13.718 -24.238 52.175 1.00 24.61 O +ANISOU 2991 O HOH A1306 1883 4274 3193 308 -10 -568 O +HETATM 2992 O HOH A1307 19.665 -15.922 43.050 1.00 46.04 O +ANISOU 2992 O HOH A1307 4387 6867 6238 333 3442 39 O +HETATM 2993 O HOH A1308 13.921 13.420 43.960 1.00 33.41 O +ANISOU 2993 O HOH A1308 4101 2184 6409 422 611 -270 O +HETATM 2994 O HOH A1309 4.424 -18.517 26.782 1.00 30.91 O +ANISOU 2994 O HOH A1309 1640 6177 3928 1369 107 1644 O +HETATM 2995 O HOH A1310 37.067 14.728 35.640 1.00 26.77 O +ANISOU 2995 O HOH A1310 2467 4116 3587 781 -977 -1525 O +HETATM 2996 O HOH A1311 -4.718 -20.151 32.973 1.00 39.25 O +ANISOU 2996 O HOH A1311 6106 2811 5998 -879 671 -191 O +HETATM 2997 O HOH A1312 21.667 -12.424 15.100 1.00 36.40 O +ANISOU 2997 O HOH A1312 4628 4190 5012 -559 1896 -822 O +HETATM 2998 O HOH A1313 31.241 -23.972 39.083 1.00 22.31 O +ANISOU 2998 O HOH A1313 2965 2320 3192 247 237 352 O +HETATM 2999 O HOH A1314 -2.473 -4.127 22.030 1.00 31.79 O +ANISOU 2999 O HOH A1314 4998 4060 3022 -2476 -1658 999 O +HETATM 3000 O HOH A1315 20.537 21.380 39.423 1.00 29.61 O +ANISOU 3000 O HOH A1315 5556 2317 3378 -813 -1132 3 O +HETATM 3001 O HOH A1316 28.583 0.044 43.177 1.00 31.04 O +ANISOU 3001 O HOH A1316 4536 4652 2605 1529 -1448 -1559 O +HETATM 3002 O HOH A1317 -10.805 -21.668 41.417 1.00 38.38 O +ANISOU 3002 O HOH A1317 3873 7640 3069 2200 -242 -1926 O +HETATM 3003 O HOH A1318 -1.572 -26.577 41.200 1.00 32.06 O +ANISOU 3003 O HOH A1318 3328 4176 4675 -1412 2156 -412 O +HETATM 3004 O HOH A1319 0.347 -15.131 23.305 1.00 25.91 O +ANISOU 3004 O HOH A1319 3902 3331 2613 192 -934 -37 O +HETATM 3005 O HOH A1320 16.849 -15.496 47.718 1.00 28.03 O +ANISOU 3005 O HOH A1320 2039 2949 5662 -459 -1710 1868 O +HETATM 3006 O HOH A1321 37.400 -10.180 26.662 1.00 43.88 O +ANISOU 3006 O HOH A1321 6464 4884 5323 763 -1527 -2518 O +HETATM 3007 O HOH A1322 -9.046 0.593 36.009 1.00 31.09 O +ANISOU 3007 O HOH A1322 2739 3366 5709 -475 -713 8 O +HETATM 3008 O HOH A1323 1.231 -27.364 30.940 1.00 33.15 O +ANISOU 3008 O HOH A1323 3211 4212 5174 -542 -1477 -529 O +HETATM 3009 O HOH A1324 10.459 -4.050 56.302 1.00 27.28 O +ANISOU 3009 O HOH A1324 3295 5257 1812 346 516 1106 O +HETATM 3010 O HOH A1325 0.204 -22.356 32.783 1.00 29.70 O +ANISOU 3010 O HOH A1325 4776 2429 4080 772 922 1112 O +HETATM 3011 O HOH A1326 20.553 -26.987 36.100 1.00 32.83 O +ANISOU 3011 O HOH A1326 7409 2650 2414 -1045 1574 -1002 O +HETATM 3012 O HOH A1327 13.768 -6.920 56.055 1.00 37.79 O +ANISOU 3012 O HOH A1327 6918 4395 3046 -1845 -1793 1842 O +HETATM 3013 O HOH A1328 36.778 -6.093 43.650 1.00 41.16 O +ANISOU 3013 O HOH A1328 4275 6713 4652 -431 -725 369 O +HETATM 3014 O HOH A1329 6.044 -31.390 33.308 1.00 35.33 O +ANISOU 3014 O HOH A1329 5234 3351 4837 -164 -1405 -859 O +HETATM 3015 O HOH A1330 23.760 -11.530 39.454 1.00 19.02 O +ANISOU 3015 O HOH A1330 2147 2468 2611 76 -15 707 O +HETATM 3016 O HOH A1331 26.124 -11.024 39.793 1.00 24.02 O +ANISOU 3016 O HOH A1331 4105 3224 1798 1565 963 1110 O +HETATM 3017 O HOH A1332 20.727 -30.632 32.228 1.00 26.37 O +ANISOU 3017 O HOH A1332 4081 1190 4747 -298 2637 -638 O +HETATM 3018 O HOH A1333 37.523 -18.619 39.929 1.00 26.16 O +ANISOU 3018 O HOH A1333 3661 4124 2156 -1350 -490 1112 O +HETATM 3019 O HOH A1334 14.528 11.153 47.061 1.00 26.67 O +ANISOU 3019 O HOH A1334 3103 2814 4218 12 479 -1870 O +HETATM 3020 O HOH A1335 -13.422 -11.167 35.829 1.00 28.28 O +ANISOU 3020 O HOH A1335 2088 6052 2604 1760 55 838 O +HETATM 3021 O HOH A1336 14.640 -27.633 22.825 1.00 29.63 O +ANISOU 3021 O HOH A1336 4517 2552 4190 794 -1306 -1691 O +HETATM 3022 O HOH A1337 -8.695 3.901 43.510 1.00 28.18 O +ANISOU 3022 O HOH A1337 2437 4036 4234 -857 106 678 O +HETATM 3023 O HOH A1338 39.401 -0.402 36.026 1.00 34.01 O +ANISOU 3023 O HOH A1338 3514 4335 5075 1297 -1977 -2039 O +HETATM 3024 O HOH A1339 3.547 -28.578 48.131 1.00 26.99 O +ANISOU 3024 O HOH A1339 2827 3772 3654 -798 374 1856 O +HETATM 3025 O HOH A1340 -5.612 1.980 49.103 1.00 27.86 O +ANISOU 3025 O HOH A1340 3598 3830 3156 -136 -68 918 O +HETATM 3026 O HOH A1341 25.652 -27.678 44.745 1.00 30.22 O +ANISOU 3026 O HOH A1341 4218 4716 2549 946 -873 -203 O +HETATM 3027 O HOH A1342 11.536 -16.193 15.464 1.00 34.92 O +ANISOU 3027 O HOH A1342 5146 6447 1674 -1841 80 -152 O +HETATM 3028 O HOH A1343 23.536 -3.860 42.423 1.00 29.44 O +ANISOU 3028 O HOH A1343 3770 5068 2347 1689 910 1687 O +HETATM 3029 O HOH A1344 5.423 -6.746 18.887 1.00 29.64 O +ANISOU 3029 O HOH A1344 2752 5467 3042 803 -818 -19 O +HETATM 3030 O HOH A1345 38.191 6.624 33.119 1.00 36.18 O +ANISOU 3030 O HOH A1345 3391 4954 5401 479 -136 -700 O +HETATM 3031 O HOH A1346 -6.011 -25.063 50.218 1.00 28.87 O +ANISOU 3031 O HOH A1346 4844 2537 3589 -420 -604 -456 O +HETATM 3032 O HOH A1347 6.142 -10.736 20.050 1.00 27.35 O +ANISOU 3032 O HOH A1347 3577 3629 3185 627 -648 -294 O +HETATM 3033 O HOH A1348 11.866 -11.892 59.792 1.00 34.91 O +ANISOU 3033 O HOH A1348 4858 4091 4316 -887 852 1728 O +HETATM 3034 O HOH A1349 7.901 -3.207 17.499 1.00 32.87 O +ANISOU 3034 O HOH A1349 3770 4165 4555 899 -2684 -1053 O +HETATM 3035 O HOH A1350 32.648 -22.149 30.407 1.00 30.35 O +ANISOU 3035 O HOH A1350 2947 2883 5703 482 1401 1425 O +HETATM 3036 O HOH A1351 15.862 9.236 21.656 0.50 23.87 O +ANISOU 3036 O HOH A1351 2575 3456 3040 -1749 57 1798 O +HETATM 3037 O HOH A1352 32.303 7.563 37.561 1.00 24.82 O +ANISOU 3037 O HOH A1352 3744 3244 2442 408 -116 -188 O +HETATM 3038 O HOH A1353 38.611 -22.288 31.407 1.00 38.39 O +ANISOU 3038 O HOH A1353 3428 3778 7380 901 906 1078 O +HETATM 3039 O HOH A1354 -9.553 -23.289 39.528 1.00 32.68 O +ANISOU 3039 O HOH A1354 2968 5844 3606 -1545 -173 483 O +HETATM 3040 O HOH A1355 5.365 13.737 37.367 1.00 28.31 O +ANISOU 3040 O HOH A1355 3520 2257 4980 1119 -1254 -720 O +HETATM 3041 O HOH A1356 12.993 16.691 38.472 1.00 36.43 O +ANISOU 3041 O HOH A1356 4724 2366 6750 141 -1733 557 O +HETATM 3042 O HOH A1357 28.166 -6.995 12.124 1.00 31.79 O +ANISOU 3042 O HOH A1357 4318 6197 1564 296 -79 333 O +HETATM 3043 O HOH A1358 22.427 2.925 46.514 1.00 29.63 O +ANISOU 3043 O HOH A1358 5209 2722 3326 989 177 625 O +HETATM 3044 O HOH A1359 -12.892 -10.721 42.377 1.00 28.36 O +ANISOU 3044 O HOH A1359 3767 3039 3967 41 1128 1490 O +HETATM 3045 O HOH A1360 28.004 13.367 43.461 1.00 27.90 O +ANISOU 3045 O HOH A1360 3517 3467 3617 -389 -276 104 O +HETATM 3046 O HOH A1361 22.254 -3.169 55.330 0.50 26.67 O +ANISOU 3046 O HOH A1361 3212 3539 3383 602 -2149 680 O +HETATM 3047 O HOH A1362 14.904 -9.971 13.820 1.00 40.12 O +ANISOU 3047 O HOH A1362 6967 5317 2961 -2164 -520 -1948 O +HETATM 3048 O HOH A1363 24.139 -3.472 12.927 1.00 30.89 O +ANISOU 3048 O HOH A1363 3832 4563 3341 972 -115 -932 O +HETATM 3049 O HOH A1364 12.635 -20.180 17.285 1.00 37.92 O +ANISOU 3049 O HOH A1364 2825 6589 4995 305 -1413 -2203 O +HETATM 3050 O HOH A1365 37.196 -10.471 39.590 1.00 38.75 O +ANISOU 3050 O HOH A1365 4653 4552 5520 283 364 -1438 O +HETATM 3051 O HOH A1366 38.085 8.542 35.571 1.00 32.15 O +ANISOU 3051 O HOH A1366 3165 4376 4674 176 -375 -674 O +HETATM 3052 O HOH A1367 14.100 -27.452 42.717 1.00 30.91 O +ANISOU 3052 O HOH A1367 2937 4979 3829 1260 -1081 -1475 O +HETATM 3053 O HOH A1368 36.445 -5.784 18.894 1.00 35.33 O +ANISOU 3053 O HOH A1368 3262 6538 3624 1706 55 -506 O +HETATM 3054 O HOH A1369 42.161 3.215 29.158 1.00 37.86 O +ANISOU 3054 O HOH A1369 2391 5551 6442 616 -115 488 O +HETATM 3055 O HOH A1370 15.828 3.037 18.155 1.00 33.42 O +ANISOU 3055 O HOH A1370 3047 5500 4152 -1261 533 57 O +HETATM 3056 O HOH A1371 19.594 -5.456 43.140 1.00 26.97 O +ANISOU 3056 O HOH A1371 2339 5348 2560 -726 -227 74 O +HETATM 3057 O HOH A1372 26.836 19.352 39.209 0.50 22.83 O +ANISOU 3057 O HOH A1372 3231 2285 3159 855 -1678 -1397 O +HETATM 3058 O HOH A1373 -1.991 -8.328 21.905 1.00 37.68 O +ANISOU 3058 O HOH A1373 4885 5088 4345 -1799 1063 -790 O +HETATM 3059 O HOH A1374 -11.074 -12.020 26.652 1.00 41.09 O +ANISOU 3059 O HOH A1374 2611 6216 6787 420 -1553 1372 O +HETATM 3060 O HOH A1375 22.743 -31.615 34.115 1.00 34.38 O +ANISOU 3060 O HOH A1375 4876 4848 3340 -800 -70 -1236 O +HETATM 3061 O HOH A1376 9.206 -21.562 57.863 1.00 25.34 O +ANISOU 3061 O HOH A1376 3409 3063 3156 -242 40 -115 O +HETATM 3062 O HOH A1377 -0.073 9.070 42.949 1.00 32.90 O +ANISOU 3062 O HOH A1377 4885 3166 4450 235 761 1185 O +HETATM 3063 O HOH A1378 4.356 -25.235 28.303 1.00 30.18 O +ANISOU 3063 O HOH A1378 4243 3209 4014 -1881 458 70 O +HETATM 3064 O HOH A1380 -1.202 -1.906 52.460 1.00 43.67 O +ANISOU 3064 O HOH A1380 6857 5230 4507 -2030 625 -427 O +HETATM 3065 O HOH A1381 10.923 -3.383 15.173 1.00 34.55 O +ANISOU 3065 O HOH A1381 5512 4604 3013 2497 -1773 -933 O +HETATM 3066 O HOH A1382 -5.309 -9.189 22.020 1.00 33.78 O +ANISOU 3066 O HOH A1382 3674 3754 5407 -985 -2103 1266 O +HETATM 3067 O HOH A1383 2.061 6.617 24.880 1.00 35.47 O +ANISOU 3067 O HOH A1383 3463 4950 5065 674 -1153 1509 O +HETATM 3068 O HOH A1384 39.761 9.318 28.110 1.00 44.03 O +ANISOU 3068 O HOH A1384 5965 5755 5010 322 1166 373 O +HETATM 3069 O HOH A1385 40.736 6.266 31.165 1.00 45.48 O +ANISOU 3069 O HOH A1385 5651 4708 6921 357 -77 -690 O +HETATM 3070 O HOH A1386 6.990 7.798 24.388 1.00 39.27 O +ANISOU 3070 O HOH A1386 6197 3663 5060 -520 607 1721 O +HETATM 3071 O BHOH A1387 12.595 12.945 29.294 0.40 13.42 O +ANISOU 3071 O BHOH A1387 1777 1134 2186 65 526 145 O +HETATM 3072 O BHOH A1388 17.521 -13.669 41.169 0.35 3.48 O +ANISOU 3072 O BHOH A1388 271 188 864 -64 -374 282 O +HETATM 3073 O BHOH A1389 17.668 -15.013 39.338 0.35 6.49 O +ANISOU 3073 O BHOH A1389 675 959 833 147 -384 -249 O +HETATM 3074 O HOH A1390 37.508 4.494 33.878 1.00 31.58 O +ANISOU 3074 O HOH A1390 3093 5198 3708 -2404 -797 184 O +HETATM 3075 O HOH A1391 11.394 8.801 29.084 1.00 26.43 O +ANISOU 3075 O HOH A1391 1885 2492 5664 -341 249 -1464 O +HETATM 3076 O HOH A1392 36.690 -11.056 29.239 1.00 32.66 O +ANISOU 3076 O HOH A1392 3827 5239 3344 -2225 -380 -644 O +HETATM 3077 O HOH A1393 34.102 9.148 38.031 1.00 35.03 O +ANISOU 3077 O HOH A1393 4022 4996 4291 966 -12 -1295 O +HETATM 3078 O HOH A1394 14.125 3.565 33.901 1.00 36.87 O +ANISOU 3078 O HOH A1394 5386 4711 3914 902 -1208 2175 O +HETATM 3079 O HOH A1395 17.308 -2.429 17.553 1.00 36.60 O +ANISOU 3079 O HOH A1395 5780 3933 4192 2447 1911 1561 O +HETATM 3080 O HOH A1396 24.267 -15.779 19.640 1.00 34.20 O +ANISOU 3080 O HOH A1396 3898 5341 3754 1278 -80 -1665 O +HETATM 3081 O HOH A1397 15.879 -6.182 57.688 1.00 28.09 O +ANISOU 3081 O HOH A1397 2741 3593 4339 -873 241 369 O +HETATM 3082 O HOH A1398 7.511 -3.850 20.199 1.00 42.25 O +ANISOU 3082 O HOH A1398 5557 5636 4861 1337 -3106 702 O +HETATM 3083 O HOH A1399 -12.578 -0.592 38.641 1.00 36.22 O +ANISOU 3083 O HOH A1399 4281 6024 3459 90 -1837 201 O +HETATM 3084 O HOH A1400 30.632 6.851 41.469 1.00 39.29 O +ANISOU 3084 O HOH A1400 4483 4619 5826 -269 -2161 -87 O +HETATM 3085 O HOH A1401 27.499 -9.497 42.365 0.50 28.55 O +ANISOU 3085 O HOH A1401 4918 4144 1785 1580 -300 247 O +HETATM 3086 O HOH A1402 -7.552 -20.858 54.224 1.00 38.37 O +ANISOU 3086 O HOH A1402 3155 4099 7325 -722 474 1573 O +HETATM 3087 O HOH A1403 -6.342 0.531 32.281 1.00 35.47 O +ANISOU 3087 O HOH A1403 4461 3451 5564 1992 1058 405 O +HETATM 3088 O HOH A1404 -1.591 -21.774 57.414 1.00 38.38 O +ANISOU 3088 O HOH A1404 2582 7831 4169 -1766 955 1193 O +HETATM 3089 O HOH A1405 41.152 -0.112 30.815 1.00 39.48 O +ANISOU 3089 O HOH A1405 4057 4144 6798 651 2336 2904 O +HETATM 3090 O HOH A1406 17.965 -1.427 57.181 1.00 41.95 O +ANISOU 3090 O HOH A1406 6456 5296 4188 -65 -443 1796 O +HETATM 3091 O HOH A1407 7.675 -32.707 43.585 1.00 38.16 O +ANISOU 3091 O HOH A1407 7407 2221 4872 1410 -1521 -240 O +HETATM 3092 O HOH A1408 37.639 0.617 25.628 1.00 43.30 O +ANISOU 3092 O HOH A1408 3520 5137 7796 56 1928 -1330 O +HETATM 3093 O HOH A1409 -2.634 -5.846 54.836 1.00 40.43 O +ANISOU 3093 O HOH A1409 5167 5261 4934 -1052 -2407 358 O +HETATM 3094 O HOH A1410 34.636 18.238 36.619 1.00 34.14 O +ANISOU 3094 O HOH A1410 3326 6841 2806 -2230 653 -1282 O +HETATM 3095 O HOH A1411 15.245 -27.911 36.161 1.00 36.01 O +ANISOU 3095 O HOH A1411 3235 6119 4330 857 -36 -1279 O +HETATM 3096 O HOH A1412 40.797 -5.381 31.291 1.00 37.42 O +ANISOU 3096 O HOH A1412 4129 6174 3915 1399 -368 2318 O +HETATM 3097 O HOH A1413 40.664 -18.758 29.259 1.00 41.37 O +ANISOU 3097 O HOH A1413 4328 5956 5434 515 2397 -358 O +HETATM 3098 O HOH A1414 5.974 -24.137 23.929 1.00 36.38 O +ANISOU 3098 O HOH A1414 4963 4642 4218 -1911 -1686 -165 O +HETATM 3099 O HOH A1415 28.603 -21.061 40.709 1.00 33.45 O +ANISOU 3099 O HOH A1415 7048 2767 2894 -1473 602 -970 O +HETATM 3100 O HOH A1416 13.200 7.596 50.206 1.00 34.40 O +ANISOU 3100 O HOH A1416 4882 4657 3530 -51 1432 -574 O +HETATM 3101 O HOH A1417 19.504 -29.600 41.163 1.00 41.99 O +ANISOU 3101 O HOH A1417 5118 3466 7368 1169 431 -520 O +HETATM 3102 O HOH A1418 26.773 -27.857 42.759 1.00 46.23 O +ANISOU 3102 O HOH A1418 6069 4863 6633 3361 -134 -672 O +HETATM 3103 O HOH A1419 -3.338 1.849 23.632 1.00 47.32 O +ANISOU 3103 O HOH A1419 5758 6739 5482 966 -2374 -521 O +HETATM 3104 O HOH A1420 24.552 -19.988 43.175 1.00 48.28 O +ANISOU 3104 O HOH A1420 5988 8221 4133 1961 -266 3133 O +HETATM 3105 O HOH A1421 21.953 -27.907 42.165 0.50 28.06 O +ANISOU 3105 O HOH A1421 2429 3744 4489 386 -23 2328 O +HETATM 3106 O HOH A1422 12.515 20.846 35.917 1.00 40.65 O +ANISOU 3106 O HOH A1422 4450 6730 4266 1254 971 -1861 O +HETATM 3107 O HOH A1423 2.165 -13.470 21.961 1.00 39.86 O +ANISOU 3107 O HOH A1423 6341 5039 3767 -2705 -150 -809 O +HETATM 3108 O HOH A1424 10.407 17.509 39.408 1.00 37.62 O +ANISOU 3108 O HOH A1424 5343 3582 5368 -1371 -743 1114 O +HETATM 3109 O HOH A1425 2.506 -30.164 36.147 1.00 44.64 O +ANISOU 3109 O HOH A1425 6344 5411 5206 511 1436 -1030 O +HETATM 3110 O HOH A1426 -1.104 -28.054 48.043 1.00 37.68 O +ANISOU 3110 O HOH A1426 3590 5498 5228 -1859 533 -183 O +HETATM 3111 O HOH A1427 26.928 14.864 45.228 1.00 45.98 O +ANISOU 3111 O HOH A1427 5455 6844 5171 -639 -1718 -815 O +HETATM 3112 O HOH A1428 -6.612 6.994 45.683 1.00 48.69 O +ANISOU 3112 O HOH A1428 6943 5396 6162 589 1099 -1356 O +HETATM 3113 O HOH A1429 40.217 7.012 28.596 1.00 39.49 O +ANISOU 3113 O HOH A1429 4324 3940 6741 -45 -549 -919 O +HETATM 3114 O HOH A1430 15.125 18.468 38.035 1.00 41.82 O +ANISOU 3114 O HOH A1430 6093 4781 5017 797 -1826 339 O +HETATM 3115 O HOH A1431 15.302 14.905 45.389 1.00 52.25 O +ANISOU 3115 O HOH A1431 5770 6990 7093 1632 -227 -1665 O +HETATM 3116 O HOH A1432 6.704 -27.596 28.789 1.00 33.21 O +ANISOU 3116 O HOH A1432 5606 3785 3227 -594 345 1048 O +HETATM 3117 O HOH A1433 -7.267 6.433 38.707 1.00 53.35 O +ANISOU 3117 O HOH A1433 6457 6362 7452 -1019 -2011 -205 O +HETATM 3118 O HOH A1434 40.367 2.051 26.054 1.00 48.30 O +ANISOU 3118 O HOH A1434 5309 7151 5891 -203 2419 -474 O +HETATM 3119 O HOH A1435 23.985 -2.744 33.761 1.00 42.72 O +ANISOU 3119 O HOH A1435 4243 6754 5235 -1127 -2749 952 O +HETATM 3120 O HOH A1436 -3.103 7.102 32.332 0.50 32.57 O +ANISOU 3120 O HOH A1436 4090 4258 4026 642 -1495 -510 O +HETATM 3121 O HOH A1437 17.871 2.384 15.695 1.00 38.44 O +ANISOU 3121 O HOH A1437 3643 6277 4683 -2956 -1516 2254 O +HETATM 3122 O HOH A1438 18.602 -0.799 16.031 1.00 34.41 O +ANISOU 3122 O HOH A1438 2514 5346 5212 -712 -1142 679 O +HETATM 3123 O HOH A1439 30.602 7.421 39.135 1.00 34.50 O +ANISOU 3123 O HOH A1439 6277 3214 3618 -396 -124 -1055 O +HETATM 3124 O HOH A1440 32.350 11.580 29.177 1.00 43.10 O +ANISOU 3124 O HOH A1440 6158 4942 5276 -146 275 -964 O +HETATM 3125 O HOH A1441 -8.834 1.845 42.014 1.00 37.37 O +ANISOU 3125 O HOH A1441 3749 5204 5243 -272 1256 191 O +HETATM 3126 O HOH A1442 -4.607 2.531 34.248 1.00 45.29 O +ANISOU 3126 O HOH A1442 3380 6936 6892 216 -1803 1863 O +HETATM 3127 O HOH A1443 -8.541 -7.352 28.666 1.00 46.93 O +ANISOU 3127 O HOH A1443 4681 6766 6383 2027 -1113 1481 O +HETATM 3128 O HOH A1444 11.110 -19.945 59.902 1.00 39.51 O +ANISOU 3128 O HOH A1444 4932 6545 3536 -736 649 1839 O +HETATM 3129 O HOH A1445 7.735 -29.662 52.868 0.50 29.40 O +ANISOU 3129 O HOH A1445 4698 3161 3311 -651 128 -1107 O +HETATM 3130 O HOH A1446 9.876 -9.057 56.821 0.50 27.40 O +ANISOU 3130 O HOH A1446 4478 3508 2426 -1942 569 -477 O +HETATM 3131 O HOH A1447 39.031 -9.021 29.707 1.00 44.06 O +ANISOU 3131 O HOH A1447 4535 7111 5097 -1052 -2724 198 O +HETATM 3132 O HOH A1448 -1.053 -27.735 43.208 1.00 36.76 O +ANISOU 3132 O HOH A1448 4113 5861 3991 -1510 736 1230 O +HETATM 3133 O HOH A1449 0.827 2.838 20.715 1.00 47.15 O +ANISOU 3133 O HOH A1449 5556 7364 4997 -2127 -1355 3473 O +HETATM 3134 O HOH A1450 -6.920 -10.107 24.235 1.00 40.70 O +ANISOU 3134 O HOH A1450 4418 4996 6051 1718 -786 154 O +HETATM 3135 O HOH A1451 2.959 -5.711 18.316 1.00 46.54 O +ANISOU 3135 O HOH A1451 4519 7809 5355 2335 -1033 878 O +HETATM 3136 O HOH A1452 14.143 -27.682 52.255 1.00 43.39 O +ANISOU 3136 O HOH A1452 5419 6074 4991 -784 -235 2338 O +HETATM 3137 O HOH A1453 21.365 -17.843 45.612 1.00 44.06 O +ANISOU 3137 O HOH A1453 4611 5754 6374 -711 -1724 3809 O +HETATM 3138 O HOH A1454 29.356 -1.637 45.211 1.00 44.70 O +ANISOU 3138 O HOH A1454 6540 5006 5438 -118 -486 1149 O +HETATM 3139 O HOH A1455 21.102 -6.595 50.104 1.00 39.73 O +ANISOU 3139 O HOH A1455 5629 4545 4923 -1072 1981 -207 O +HETATM 3140 O HOH A1456 3.818 -18.597 24.243 1.00 39.62 O +ANISOU 3140 O HOH A1456 4660 5310 5084 -203 -907 -2110 O +HETATM 3141 O HOH A1457 -9.052 2.645 37.844 1.00 41.41 O +ANISOU 3141 O HOH A1457 6629 3037 6067 -1047 -566 -1407 O +HETATM 3142 O HOH A1458 23.557 -9.324 12.661 0.50 25.31 O +ANISOU 3142 O HOH A1458 3381 3341 2894 878 718 355 O +HETATM 3143 O HOH A1459 -10.578 0.360 41.834 1.00 38.82 O +ANISOU 3143 O HOH A1459 4079 5228 5441 1596 644 -129 O +HETATM 3144 O HOH A1460 33.934 13.334 39.474 1.00 44.67 O +ANISOU 3144 O HOH A1460 4916 6799 5259 2642 -1241 -1351 O +HETATM 3145 O HOH A1461 16.199 0.866 56.355 0.50 28.78 O +ANISOU 3145 O HOH A1461 4388 5121 1427 -990 -678 981 O +HETATM 3146 O HOH A1462 10.407 18.519 26.465 0.50 42.66 O +ANISOU 3146 O HOH A1462 5067 5651 5492 586 -142 -4 O +HETATM 3147 O HOH A1463 7.765 -30.834 50.009 1.00 37.31 O +ANISOU 3147 O HOH A1463 4763 3323 6091 132 -397 1361 O +HETATM 3148 O HOH A1464 13.814 -14.461 13.224 1.00 38.38 O +ANISOU 3148 O HOH A1464 3507 5403 5675 1842 -1857 -2320 O +HETATM 3149 O HOH A1465 21.699 -6.906 41.711 1.00 35.93 O +ANISOU 3149 O HOH A1465 3876 4870 4908 -1165 -417 2173 O +HETATM 3150 O HOH A1466 9.709 15.073 31.369 0.50 30.04 O +ANISOU 3150 O HOH A1466 1810 3808 5795 961 -693 -772 O +HETATM 3151 O HOH A1467 12.353 16.714 24.945 1.00 40.57 O +ANISOU 3151 O HOH A1467 5172 5175 5069 1435 382 -70 O +HETATM 3152 O HOH A1468 -4.339 -18.210 27.072 1.00 48.73 O +ANISOU 3152 O HOH A1468 6596 5562 6359 266 -594 -897 O +HETATM 3153 O HOH A1469 1.932 -16.752 24.139 1.00 46.34 O +ANISOU 3153 O HOH A1469 5351 6894 5363 742 1900 -1757 O +HETATM 3154 O HOH A1470 6.405 -31.496 30.308 0.50 28.59 O +ANISOU 3154 O HOH A1470 3338 3625 3899 176 -1546 -571 O +HETATM 3155 O HOH A1471 9.454 -29.772 32.487 1.00 37.85 O +ANISOU 3155 O HOH A1471 4264 4337 5781 821 876 1306 O +HETATM 3156 O HOH A1472 10.759 12.588 27.581 1.00 41.52 O +ANISOU 3156 O HOH A1472 3993 5024 6758 824 -727 1381 O +HETATM 3157 O HOH A1473 25.342 -1.754 44.400 1.00 45.70 O +ANISOU 3157 O HOH A1473 6930 5482 4950 1036 -1773 125 O +HETATM 3158 O HOH A1474 5.778 -8.861 17.790 1.00 36.78 O +ANISOU 3158 O HOH A1474 5626 5080 3268 15 -693 754 O +HETATM 3159 O HOH A1475 32.970 -0.259 42.275 1.00 52.68 O +ANISOU 3159 O HOH A1475 5850 7610 6556 -374 1224 -488 O +HETATM 3160 O HOH A1476 35.315 -25.709 32.036 1.00 47.95 O +ANISOU 3160 O HOH A1476 7444 5129 5645 1957 -1005 -1632 O +HETATM 3161 O HOH A1477 -2.384 8.443 47.229 0.50 38.38 O +ANISOU 3161 O HOH A1477 6052 4403 4127 99 -501 174 O +HETATM 3162 O HOH A1478 8.398 -5.068 15.743 1.00 44.52 O +ANISOU 3162 O HOH A1478 7755 4913 4246 -288 -2062 1101 O +HETATM 3163 O HOH A1479 -0.046 6.419 28.936 1.00 47.95 O +ANISOU 3163 O HOH A1479 6347 5992 5879 1212 -670 231 O +HETATM 3164 O HOH A1480 38.358 -8.063 24.181 0.50 28.01 O +ANISOU 3164 O HOH A1480 3101 4132 3412 -134 465 -127 O +HETATM 3165 O HOH A1481 12.210 -32.516 39.331 1.00 36.59 O +ANISOU 3165 O HOH A1481 4231 2912 6759 1715 911 1031 O +HETATM 3166 O HOH A1482 6.396 12.614 43.143 1.00 49.43 O +ANISOU 3166 O HOH A1482 6197 5833 6752 2301 2681 795 O +HETATM 3167 O HOH A1483 -9.755 -2.103 44.265 1.00 48.85 O +ANISOU 3167 O HOH A1483 6738 5213 6611 179 1906 1181 O +HETATM 3168 O HOH A1484 12.727 3.473 20.195 1.00 43.73 O +ANISOU 3168 O HOH A1484 5340 3953 7321 -161 -195 -1448 O +HETATM 3169 O HOH A1485 16.058 -30.002 40.430 1.00 44.37 O +ANISOU 3169 O HOH A1485 4796 4807 7257 661 -207 1125 O +HETATM 3170 O HOH A1486 -3.121 -22.179 36.635 1.00 35.19 O +ANISOU 3170 O HOH A1486 5200 3610 4560 -1450 768 212 O +HETATM 3171 O HOH A1487 13.052 1.367 17.733 0.50 32.30 O +ANISOU 3171 O HOH A1487 5688 4482 2101 245 476 -45 O +HETATM 3172 O HOH A1488 1.906 -20.011 28.898 1.00 42.90 O +ANISOU 3172 O HOH A1488 5301 4014 6984 239 -1271 -992 O +HETATM 3173 O HOH A1489 35.312 -1.748 19.868 1.00 40.99 O +ANISOU 3173 O HOH A1489 4432 5747 5397 -2751 -1875 1033 O +HETATM 3174 O HOH A1490 20.540 7.428 52.585 0.50 31.18 O +ANISOU 3174 O HOH A1490 3284 6113 2450 -1973 266 -423 O +HETATM 3175 O HOH A1491 8.228 18.329 33.326 1.00 39.76 O +ANISOU 3175 O HOH A1491 4381 4330 6395 360 -202 512 O +HETATM 3176 O HOH A1492 9.810 16.504 27.252 0.50 40.17 O +ANISOU 3176 O HOH A1492 4460 5510 5292 -195 348 -1534 O +HETATM 3177 O HOH A1493 25.744 1.085 52.396 1.00 44.24 O +ANISOU 3177 O HOH A1493 5579 4592 6638 573 1668 481 O +HETATM 3178 O HOH A1494 34.499 -11.822 12.692 1.00 44.39 O +ANISOU 3178 O HOH A1494 6511 4933 5421 2541 975 -1038 O +HETATM 3179 O HOH A1495 5.258 16.095 38.882 0.50 34.35 O +ANISOU 3179 O HOH A1495 4844 2361 5845 1269 641 -997 O +HETATM 3180 O HOH A1496 13.153 -11.439 13.943 1.00 45.99 O +ANISOU 3180 O HOH A1496 5855 6976 4644 589 977 246 O +HETATM 3181 O HOH A1497 -3.689 6.051 48.543 1.00 49.59 O +ANISOU 3181 O HOH A1497 5821 6084 6936 799 890 -2909 O +HETATM 3182 O HOH A1498 6.783 -16.227 20.339 0.50 28.81 O +ANISOU 3182 O HOH A1498 3384 5673 1889 -587 -852 -418 O +HETATM 3183 O HOH A1499 11.072 -32.704 48.378 1.00 37.94 O +ANISOU 3183 O HOH A1499 7989 2394 4032 221 -914 191 O +HETATM 3184 O HOH A1500 40.430 4.547 25.800 0.50 39.67 O +ANISOU 3184 O HOH A1500 5833 4597 4642 -1760 1210 1777 O +HETATM 3185 O HOH A1501 39.821 2.230 33.505 1.00 41.62 O +ANISOU 3185 O HOH A1501 6781 4317 4716 -202 -2718 419 O +HETATM 3186 O HOH A1502 3.928 -4.061 53.652 1.00 46.23 O +ANISOU 3186 O HOH A1502 5069 7040 5456 1615 1333 -548 O +HETATM 3187 O HOH A1503 24.124 -2.976 52.107 1.00 44.04 O +ANISOU 3187 O HOH A1503 6740 3674 6319 338 -349 903 O +HETATM 3188 O HOH A1504 3.686 -7.047 57.174 1.00 28.41 O +ANISOU 3188 O HOH A1504 5042 2536 3216 125 777 -260 O +HETATM 3189 O HOH A1505 4.073 11.144 40.712 1.00 37.47 O +ANISOU 3189 O HOH A1505 6472 3621 4145 1207 2139 268 O +HETATM 3190 O HOH A1506 28.858 19.897 40.165 1.00 40.30 O +ANISOU 3190 O HOH A1506 3896 5089 6325 -1177 -412 1052 O +HETATM 3191 O HOH A1507 32.570 0.358 14.987 0.50 32.79 O +ANISOU 3191 O HOH A1507 4515 3466 4477 -1421 1569 -705 O +HETATM 3192 O HOH A1508 15.481 5.597 53.005 1.00 31.81 O +ANISOU 3192 O HOH A1508 5540 3791 2755 181 324 -251 O +CONECT 454 2664 +CONECT 2242 2641 +CONECT 2641 2242 +CONECT 2663 2664 +CONECT 2664 454 2663 2675 +CONECT 2665 2666 2674 +CONECT 2666 2665 2667 2670 +CONECT 2667 2666 2668 2669 +CONECT 2668 2667 +CONECT 2669 2667 +CONECT 2670 2666 2671 2672 2673 +CONECT 2671 2670 +CONECT 2672 2670 +CONECT 2673 2670 2674 +CONECT 2674 2665 2673 2675 +CONECT 2675 2664 2674 2676 +CONECT 2676 2675 2677 +CONECT 2677 2676 2678 2679 +CONECT 2678 2677 +CONECT 2679 2677 2680 +CONECT 2680 2679 2681 2685 +CONECT 2681 2680 2682 +CONECT 2682 2681 2683 +CONECT 2683 2682 2684 +CONECT 2684 2683 2685 +CONECT 2685 2680 2684 +MASTER 282 0 1 13 13 0 4 6 3132 1 26 27 +END diff --git a/prody/tests/datafiles/__init__.py b/prody/tests/datafiles/__init__.py index 89e8a65af..2821c8a53 100644 --- a/prody/tests/datafiles/__init__.py +++ b/prody/tests/datafiles/__init__.py @@ -91,6 +91,18 @@ 'n_atoms': 7294, 'models': 1 }, + '1pwc_pdb': { + 'pdb': '1pwc', + 'file': '1pwc.pdb', + 'n_atoms': 3129, + 'models': 1 + }, + '1pwc_mmtf': { + 'pdb': '1PWC', + 'file': '1pwc.mmtf', + 'n_atoms': 3129, + 'models': 1 + }, '1ubi_ca': { 'pdb': '1ubi', 'file': 'pdb1ubi_ca.pdb', diff --git a/prody/tests/datafiles/pdb3enl.pdb b/prody/tests/datafiles/pdb3enl.pdb new file mode 100644 index 000000000..aa7f2fb4d --- /dev/null +++ b/prody/tests/datafiles/pdb3enl.pdb @@ -0,0 +1,4178 @@ +HEADER CARBON-OXYGEN LYASE 13-NOV-90 3ENL +TITLE REFINED STRUCTURE OF YEAST APO-ENOLASE AT 2.25 ANGSTROMS RESOLUTION +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: ENOLASE; +COMPND 3 CHAIN: A; +COMPND 4 EC: 4.2.1.11; +COMPND 5 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; +SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST; +SOURCE 4 ORGANISM_TAXID: 4932 +KEYWDS CARBON-OXYGEN LYASE +EXPDTA X-RAY DIFFRACTION +AUTHOR L.LEBIODA,B.STEC +REVDAT 4 29-NOV-17 3ENL 1 HELIX +REVDAT 3 24-FEB-09 3ENL 1 VERSN +REVDAT 2 01-APR-03 3ENL 1 JRNL +REVDAT 1 15-APR-92 3ENL 0 +SPRSDE 15-APR-92 3ENL 2ENL +JRNL AUTH B.STEC,L.LEBIODA +JRNL TITL REFINED STRUCTURE OF YEAST APO-ENOLASE AT 2.25 A RESOLUTION. +JRNL REF J.MOL.BIOL. V. 211 235 1990 +JRNL REFN ISSN 0022-2836 +JRNL PMID 2405163 +JRNL DOI 10.1016/0022-2836(90)90023-F +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH L.LEBIODA,B.STEC +REMARK 1 TITL MECHANISM OF ENOLASE: THE CRYSTAL STRUCTURE OF +REMARK 1 TITL 2 ENOLASE-MG2+-PHOSPHOGLYCERATE(SLASH) PHOSPHOENOLPYRUVATE +REMARK 1 TITL 3 COMPLEX AT 2.2-ANGSTROMS RESOLUTION +REMARK 1 REF BIOCHEMISTRY V. 30 2817 1991 +REMARK 1 REFN ISSN 0006-2960 +REMARK 1 REFERENCE 2 +REMARK 1 AUTH L.LEBIODA,B.STEC,J.M.BREWER,E.TYKARSKA +REMARK 1 TITL INHIBITION OF ENOLASE: THE CRYSTAL STRUCTURES OF +REMARK 1 TITL 2 ENOLASE-CA2+-PHOSPHOGLYCERATE AND +REMARK 1 TITL 3 ENOLASE-ZN2+-PHOSPHOGLYCOLATE COMPLEXES AT 2.2-ANGSTROMS +REMARK 1 TITL 4 RESOLUTION +REMARK 1 REF BIOCHEMISTRY V. 30 2823 1991 +REMARK 1 REFN ISSN 0006-2960 +REMARK 1 REFERENCE 3 +REMARK 1 AUTH L.LEBIODA,B.STEC +REMARK 1 TITL CRYSTAL STRUCTURE OF HOLOENZYME REFINED AT 1.9 ANGSTROMS +REMARK 1 TITL 2 RESOLUTION: TRIGONAL-BIPYRAMIDAL GEOMETRY OF THE CATION +REMARK 1 TITL 3 BINDING SITE +REMARK 1 REF J.AM.CHEM.SOC. V. 111 8511 1989 +REMARK 1 REFN ISSN 0002-7863 +REMARK 1 REFERENCE 4 +REMARK 1 AUTH L.LEBIODA,B.STEC,J.M.BREWER +REMARK 1 TITL THE STRUCTURE OF YEAST ENOLASE AT 2.25-ANGSTROMS RESOLUTION. +REMARK 1 TITL 2 AN 8-FOLD BETA+ALPHA-BARREL WITH A NOVEL BETA BETA ALPHA +REMARK 1 TITL 3 ALPHA (BETA ALPHA)6 TOPOLOGY +REMARK 1 REF J.BIOL.CHEM. V. 264 3685 1989 +REMARK 1 REFN ISSN 0021-9258 +REMARK 1 REFERENCE 5 +REMARK 1 AUTH L.LEBIODA,B.STEC +REMARK 1 TITL CRYSTAL STRUCTURE OF ENOLASE INDICATES THAT ENOLASE AND +REMARK 1 TITL 2 PYRUVATE KINASE EVOLVED FROM A COMMON ANCESTOR +REMARK 1 REF NATURE V. 333 683 1988 +REMARK 1 REFN ISSN 0028-0836 +REMARK 1 REFERENCE 6 +REMARK 1 AUTH L.LEBIODA,J.M.BREWER +REMARK 1 TITL CRYSTALLIZATION AND PRELIMINARY CRYSTALLOGRAPHIC DATA FOR A +REMARK 1 TITL 2 TETRAGONAL FORM OF YEAST ENOLASE +REMARK 1 REF J.MOL.BIOL. V. 180 213 1984 +REMARK 1 REFN ISSN 0022-2836 +REMARK 2 +REMARK 2 RESOLUTION. 2.25 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : PROLSQ +REMARK 3 AUTHORS : KONNERT,HENDRICKSON +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.25 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL +REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL +REMARK 3 COMPLETENESS FOR RANGE (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : NULL +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING + TEST SET) : 0.154 +REMARK 3 R VALUE (WORKING SET) : NULL +REMARK 3 FREE R VALUE : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : NULL +REMARK 3 +REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. +REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL +REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL +REMARK 3 FREE R VALUE (NO CUTOFF) : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL +REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 3289 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 5 +REMARK 3 SOLVENT ATOMS : 353 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA +REMARK 3 BOND LENGTH (A) : 0.017 ; 0.020 +REMARK 3 ANGLE DISTANCE (A) : 0.055 ; 0.040 +REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.058 ; 0.050 +REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL +REMARK 3 +REMARK 3 PLANE RESTRAINT (A) : 0.013 ; 0.020 +REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.164 ; 0.150 +REMARK 3 +REMARK 3 NON-BONDED CONTACT RESTRAINTS. +REMARK 3 SINGLE TORSION (A) : 0.230 ; 0.450 +REMARK 3 MULTIPLE TORSION (A) : 0.220 ; 0.450 +REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL +REMARK 3 H-BOND (X-H...Y) (A) : 0.240 ; 0.450 +REMARK 3 +REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. +REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL +REMARK 3 PLANAR (DEGREES) : 2.300 ; 3.000 +REMARK 3 STAGGERED (DEGREES) : 19.500; 12.000 +REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: +REMARK 3 RESIDUES GLY 41 - VAL 42 AND PRO 265 - LYS 269 ARE PROBABLY +REMARK 3 PARTIALLY DISORDERED. +REMARK 4 +REMARK 4 3ENL COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 100 THE DEPOSITION ID IS D_1000178950. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NULL +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : NULL +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : NULL +REMARK 200 RADIATION SOURCE : NULL +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL +REMARK 200 WAVELENGTH OR RANGE (A) : NULL +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : NULL +REMARK 200 DETECTOR MANUFACTURER : NULL +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL +REMARK 200 DATA SCALING SOFTWARE : NULL +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL +REMARK 200 RESOLUTION RANGE HIGH (A) : NULL +REMARK 200 RESOLUTION RANGE LOW (A) : NULL +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : NULL +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL +REMARK 200 SOFTWARE USED: NULL +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 55.39 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.76 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: NULL +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 42 21 2 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,-Y,Z +REMARK 290 3555 -Y+1/2,X+1/2,Z+1/2 +REMARK 290 4555 Y+1/2,-X+1/2,Z+1/2 +REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/2 +REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/2 +REMARK 290 7555 Y,X,-Z +REMARK 290 8555 -Y,-X,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 62.05000 +REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 62.05000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 33.45000 +REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 62.05000 +REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 62.05000 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 33.45000 +REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 62.05000 +REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 62.05000 +REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 33.45000 +REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 62.05000 +REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 62.05000 +REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 33.45000 +REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 0.000000 -1.000000 0.000000 124.10000 +REMARK 350 BIOMT2 2 -1.000000 0.000000 0.000000 124.10000 +REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 66.90000 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 O SER A 36 O HOH A 617 1.71 +REMARK 500 O HOH A 474 O HOH A 516 2.08 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 O HOH A 474 O HOH A 665 4564 2.09 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 TYR A 6 CB - CG - CD1 ANGL. DEV. = -4.0 DEGREES +REMARK 500 ALA A 7 N - CA - CB ANGL. DEV. = 9.1 DEGREES +REMARK 500 ARG A 8 NH1 - CZ - NH2 ANGL. DEV. = -8.7 DEGREES +REMARK 500 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 7.6 DEGREES +REMARK 500 TYR A 11 CB - CG - CD2 ANGL. DEV. = -3.6 DEGREES +REMARK 500 ASP A 12 CB - CG - OD2 ANGL. DEV. = 7.5 DEGREES +REMARK 500 ARG A 14 NE - CZ - NH1 ANGL. DEV. = 4.2 DEGREES +REMARK 500 GLU A 26 OE1 - CD - OE2 ANGL. DEV. = 10.5 DEGREES +REMARK 500 ARG A 31 NE - CZ - NH2 ANGL. DEV. = -3.7 DEGREES +REMARK 500 SER A 36 CB - CA - C ANGL. DEV. = 11.4 DEGREES +REMARK 500 GLY A 41 N - CA - C ANGL. DEV. = 21.1 DEGREES +REMARK 500 GLU A 47 OE1 - CD - OE2 ANGL. DEV. = 11.9 DEGREES +REMARK 500 GLU A 47 CG - CD - OE1 ANGL. DEV. = -12.4 DEGREES +REMARK 500 ARG A 49 CD - NE - CZ ANGL. DEV. = 29.4 DEGREES +REMARK 500 ARG A 49 NH1 - CZ - NH2 ANGL. DEV. = -7.6 DEGREES +REMARK 500 ARG A 49 NE - CZ - NH1 ANGL. DEV. = 12.9 DEGREES +REMARK 500 ARG A 49 NE - CZ - NH2 ANGL. DEV. = -5.3 DEGREES +REMARK 500 ASP A 52 CB - CG - OD1 ANGL. DEV. = -6.0 DEGREES +REMARK 500 LYS A 59 N - CA - CB ANGL. DEV. = 12.1 DEGREES +REMARK 500 ASP A 82 CB - CG - OD2 ANGL. DEV. = -5.8 DEGREES +REMARK 500 ASP A 85 CB - CG - OD1 ANGL. DEV. = 7.7 DEGREES +REMARK 500 ARG A 119 CD - NE - CZ ANGL. DEV. = 9.9 DEGREES +REMARK 500 ARG A 119 NE - CZ - NH2 ANGL. DEV. = 6.2 DEGREES +REMARK 500 GLU A 124 OE1 - CD - OE2 ANGL. DEV. = 9.5 DEGREES +REMARK 500 GLU A 124 CG - CD - OE1 ANGL. DEV. = -15.4 DEGREES +REMARK 500 LYS A 125 CA - CB - CG ANGL. DEV. = 14.5 DEGREES +REMARK 500 ASP A 135 CB - CG - OD2 ANGL. DEV. = 6.8 DEGREES +REMARK 500 LEU A 146 CB - CA - C ANGL. DEV. = 12.9 DEGREES +REMARK 500 LEU A 154 CA - CB - CG ANGL. DEV. = 23.1 DEGREES +REMARK 500 GLU A 168 OE1 - CD - OE2 ANGL. DEV. = -9.3 DEGREES +REMARK 500 GLU A 168 CG - CD - OE2 ANGL. DEV. = 12.9 DEGREES +REMARK 500 ARG A 184 CG - CD - NE ANGL. DEV. = -15.1 DEGREES +REMARK 500 ARG A 184 CD - NE - CZ ANGL. DEV. = -15.9 DEGREES +REMARK 500 ARG A 184 NE - CZ - NH1 ANGL. DEV. = -7.7 DEGREES +REMARK 500 SER A 195 CB - CA - C ANGL. DEV. = -11.4 DEGREES +REMARK 500 ARG A 200 CD - NE - CZ ANGL. DEV. = 11.3 DEGREES +REMARK 500 ARG A 200 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES +REMARK 500 ARG A 200 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES +REMARK 500 TYR A 201 CB - CG - CD2 ANGL. DEV. = 3.8 DEGREES +REMARK 500 GLU A 223 OE1 - CD - OE2 ANGL. DEV. = 12.7 DEGREES +REMARK 500 GLU A 223 CG - CD - OE2 ANGL. DEV. = -17.8 DEGREES +REMARK 500 ASP A 226 CB - CG - OD1 ANGL. DEV. = 6.9 DEGREES +REMARK 500 ASP A 226 CB - CG - OD2 ANGL. DEV. = -9.2 DEGREES +REMARK 500 ASP A 246 N - CA - CB ANGL. DEV. = 12.4 DEGREES +REMARK 500 ASP A 246 CB - CG - OD1 ANGL. DEV. = 6.4 DEGREES +REMARK 500 ASP A 246 CB - CG - OD2 ANGL. DEV. = -7.4 DEGREES +REMARK 500 ASP A 255 CB - CG - OD2 ANGL. DEV. = -8.9 DEGREES +REMARK 500 ASP A 255 O - C - N ANGL. DEV. = 10.3 DEGREES +REMARK 500 TYR A 258 CB - CG - CD2 ANGL. DEV. = -4.4 DEGREES +REMARK 500 LYS A 263 CB - CA - C ANGL. DEV. = 14.4 DEGREES +REMARK 500 +REMARK 500 THIS ENTRY HAS 85 ANGLE DEVIATIONS. +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 VAL A 42 -94.47 -60.75 +REMARK 500 HIS A 43 49.91 -143.44 +REMARK 500 VAL A 61 22.91 -140.84 +REMARK 500 LYS A 104 -70.99 -63.95 +REMARK 500 SER A 158 1.67 -69.61 +REMARK 500 PRO A 173 68.42 -69.01 +REMARK 500 PHE A 262 -4.61 -57.57 +REMARK 500 ASN A 264 -84.64 -1.63 +REMARK 500 ASP A 320 -76.34 -121.57 +REMARK 500 VAL A 324 47.80 35.19 +REMARK 500 THR A 325 23.17 49.04 +REMARK 500 ALA A 339 -169.95 -163.11 +REMARK 500 ASP A 340 20.49 -145.99 +REMARK 500 ARG A 402 121.38 88.09 +REMARK 500 HIS A 432 50.88 -111.94 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 700 +REMARK 700 SHEET +REMARK 700 THE SHEET PRESENTED AS *BAR* ON SHEET RECORDS BELOW IS +REMARK 700 ACTUALLY AN EIGHT-STRANDED BETA-BARREL. THIS IS +REMARK 700 REPRESENTED BY A NINE-STRANDED SHEET IN WHICH THE FIRST AND +REMARK 700 LAST STRANDS ARE IDENTICAL. THERE IS A SMALL STRAND BONDED +REMARK 700 TO THE END OF STRAND 1 OF THE BARREL. THIS SMALL STRAND +REMARK 700 STRAND AND STRAND 1 ARE PRESENTED AS SHEET S1. +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: MEI +REMARK 800 EVIDENCE_CODE: AUTHOR +REMARK 800 SITE_DESCRIPTION: metal ion binding site +REMARK 800 +REMARK 800 SITE_IDENTIFIER: PHO +REMARK 800 EVIDENCE_CODE: AUTHOR +REMARK 800 SITE_DESCRIPTION: phosphate binding site +REMARK 800 +REMARK 800 SITE_IDENTIFIER: CAT +REMARK 800 EVIDENCE_CODE: AUTHOR +REMARK 800 SITE_DESCRIPTION: catalytic and substrate binding site +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 444 +DBREF 3ENL A 1 436 UNP P00924 ENO1_YEAST 1 436 +SEQADV 3ENL SER A 84 UNP P00924 LYS 84 CONFLICT +SEQRES 1 A 436 ALA VAL SER LYS VAL TYR ALA ARG SER VAL TYR ASP SER +SEQRES 2 A 436 ARG GLY ASN PRO THR VAL GLU VAL GLU LEU THR THR GLU +SEQRES 3 A 436 LYS GLY VAL PHE ARG SER ILE VAL PRO SER GLY ALA SER +SEQRES 4 A 436 THR GLY VAL HIS GLU ALA LEU GLU MET ARG ASP GLY ASP +SEQRES 5 A 436 LYS SER LYS TRP MET GLY LYS GLY VAL LEU HIS ALA VAL +SEQRES 6 A 436 LYS ASN VAL ASN ASP VAL ILE ALA PRO ALA PHE VAL LYS +SEQRES 7 A 436 ALA ASN ILE ASP VAL SER ASP GLN LYS ALA VAL ASP ASP +SEQRES 8 A 436 PHE LEU ILE SER LEU ASP GLY THR ALA ASN LYS SER LYS +SEQRES 9 A 436 LEU GLY ALA ASN ALA ILE LEU GLY VAL SER LEU ALA ALA +SEQRES 10 A 436 SER ARG ALA ALA ALA ALA GLU LYS ASN VAL PRO LEU TYR +SEQRES 11 A 436 LYS HIS LEU ALA ASP LEU SER LYS SER LYS THR SER PRO +SEQRES 12 A 436 TYR VAL LEU PRO VAL PRO PHE LEU ASN VAL LEU ASN GLY +SEQRES 13 A 436 GLY SER HIS ALA GLY GLY ALA LEU ALA LEU GLN GLU PHE +SEQRES 14 A 436 MET ILE ALA PRO THR GLY ALA LYS THR PHE ALA GLU ALA +SEQRES 15 A 436 LEU ARG ILE GLY SER GLU VAL TYR HIS ASN LEU LYS SER +SEQRES 16 A 436 LEU THR LYS LYS ARG TYR GLY ALA SER ALA GLY ASN VAL +SEQRES 17 A 436 GLY ASP GLU GLY GLY VAL ALA PRO ASN ILE GLN THR ALA +SEQRES 18 A 436 GLU GLU ALA LEU ASP LEU ILE VAL ASP ALA ILE LYS ALA +SEQRES 19 A 436 ALA GLY HIS ASP GLY LYS VAL LYS ILE GLY LEU ASP CYS +SEQRES 20 A 436 ALA SER SER GLU PHE PHE LYS ASP GLY LYS TYR ASP LEU +SEQRES 21 A 436 ASP PHE LYS ASN PRO ASN SER ASP LYS SER LYS TRP LEU +SEQRES 22 A 436 THR GLY PRO GLN LEU ALA ASP LEU TYR HIS SER LEU MET +SEQRES 23 A 436 LYS ARG TYR PRO ILE VAL SER ILE GLU ASP PRO PHE ALA +SEQRES 24 A 436 GLU ASP ASP TRP GLU ALA TRP SER HIS PHE PHE LYS THR +SEQRES 25 A 436 ALA GLY ILE GLN ILE VAL ALA ASP ASP LEU THR VAL THR +SEQRES 26 A 436 ASN PRO LYS ARG ILE ALA THR ALA ILE GLU LYS LYS ALA +SEQRES 27 A 436 ALA ASP ALA LEU LEU LEU LYS VAL ASN GLN ILE GLY THR +SEQRES 28 A 436 LEU SER GLU SER ILE LYS ALA ALA GLN ASP SER PHE ALA +SEQRES 29 A 436 ALA GLY TRP GLY VAL MET VAL SER HIS ARG SER GLY GLU +SEQRES 30 A 436 THR GLU ASP THR PHE ILE ALA ASP LEU VAL VAL GLY LEU +SEQRES 31 A 436 ARG THR GLY GLN ILE LYS THR GLY ALA PRO ALA ARG SER +SEQRES 32 A 436 GLU ARG LEU ALA LYS LEU ASN GLN LEU LEU ARG ILE GLU +SEQRES 33 A 436 GLU GLU LEU GLY ASP ASN ALA VAL PHE ALA GLY GLU ASN +SEQRES 34 A 436 PHE HIS HIS GLY ASP LYS LEU +HET SO4 A 444 5 +HETNAM SO4 SULFATE ION +FORMUL 2 SO4 O4 S 2- +FORMUL 3 HOH *353(H2 O) +HELIX 1 I LEU A 62 ALA A 79 1BROKEN BY PRO 74 18 +HELIX 2 J GLN A 86 ASP A 97 1 12 +HELIX 3 K ALA A 107 GLU A 124 1 18 +HELIX 4 L LEU A 129 LEU A 136 1 8 +HELIX 5 A PHE A 179 ARG A 200 1 22 +HELIX 6 A10 ALA A 203 GLY A 206 5 4 +HELIX 7 B ALA A 221 ALA A 234 1 14 +HELIX 8 B10 SER A 249 GLU A 251 5 3 +HELIX 9 C GLY A 275 ARG A 288 1 14 +HELIX 10 D TRP A 303 LYS A 311 1 9 +HELIX 11 D10 ASP A 320 THR A 323 5 4 +HELIX 12 E PRO A 327 GLU A 335 1 9 +HELIX 13 E10 VAL A 346 ILE A 349 5 4 +HELIX 14 F LEU A 352 ALA A 364 1 13 +HELIX 15 G PHE A 382 LEU A 390 1 9 +HELIX 16 H SER A 403 LEU A 419 1 17 +SHEET 1 MEA 3 LYS A 4 ASP A 12 0 +SHEET 2 MEA 3 ASN A 16 THR A 25 -1 O THR A 24 N LYS A 4 +SHEET 3 MEA 3 VAL A 29 VAL A 34 -1 N VAL A 34 O VAL A 19 +SHEET 1 BAR 9 TYR A 144 ASN A 155 0 +SHEET 2 BAR 9 GLU A 168 PRO A 173 -1 O ILE A 171 N LEU A 151 +SHEET 3 BAR 9 VAL A 241 ASP A 246 -1 N LYS A 242 O ALA A 172 +SHEET 4 BAR 9 SER A 293 GLU A 295 1 O SER A 293 N LEU A 245 +SHEET 5 BAR 9 GLN A 316 ALA A 319 1 O GLN A 316 N ILE A 294 +SHEET 6 BAR 9 ASP A 340 LYS A 345 1 N ALA A 341 O ILE A 317 +SHEET 7 BAR 9 GLY A 368 HIS A 373 1 N GLY A 368 O ASP A 340 +SHEET 8 BAR 9 GLN A 394 LYS A 396 1 O GLN A 394 N VAL A 371 +SHEET 9 BAR 9 TYR A 144 ASN A 155 1 O VAL A 148 N ILE A 395 +SHEET 1 S1 2 TYR A 144 ASN A 155 0 +SHEET 2 S1 2 ASN A 422 PHE A 425 1 O ASN A 422 N TYR A 144 +CISPEP 1 SER A 142 PRO A 143 0 -2.57 +CISPEP 2 ASN A 264 PRO A 265 0 -0.35 +SITE 1 MEI 3 ASP A 246 GLU A 295 ASP A 320 +SITE 1 PHO 1 ARG A 374 +SITE 1 CAT 5 GLU A 168 GLU A 211 LYS A 345 HIS A 373 +SITE 2 CAT 5 LYS A 396 +SITE 1 AC1 6 LYS A 345 ARG A 374 SER A 375 HOH A 514 +SITE 2 AC1 6 HOH A 525 HOH A 597 +CRYST1 124.100 124.100 66.900 90.00 90.00 90.00 P 42 21 2 8 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.008058 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.008058 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.014948 0.00000 +ATOM 1 N ALA A 1 116.247 17.538 20.929 1.00 36.27 N +ATOM 2 CA ALA A 1 115.946 18.087 19.587 1.00 35.02 C +ATOM 3 C ALA A 1 114.469 18.135 19.291 1.00 33.81 C +ATOM 4 O ALA A 1 113.790 17.196 19.751 1.00 34.67 O +ATOM 5 CB ALA A 1 116.587 17.152 18.574 1.00 35.13 C +ATOM 6 N VAL A 2 114.071 19.120 18.550 1.00 32.70 N +ATOM 7 CA VAL A 2 112.640 19.190 18.219 1.00 32.07 C +ATOM 8 C VAL A 2 112.302 18.071 17.255 1.00 32.54 C +ATOM 9 O VAL A 2 112.824 17.935 16.136 1.00 33.26 O +ATOM 10 CB VAL A 2 112.304 20.582 17.727 1.00 31.43 C +ATOM 11 CG1 VAL A 2 110.829 20.717 17.412 1.00 31.39 C +ATOM 12 CG2 VAL A 2 112.847 21.554 18.762 1.00 30.97 C +ATOM 13 N SER A 3 111.393 17.246 17.737 1.00 32.66 N +ATOM 14 CA SER A 3 110.872 16.098 16.979 1.00 32.42 C +ATOM 15 C SER A 3 109.469 16.434 16.483 1.00 32.61 C +ATOM 16 O SER A 3 108.927 15.742 15.608 1.00 32.70 O +ATOM 17 CB SER A 3 110.942 14.853 17.829 1.00 32.48 C +ATOM 18 OG SER A 3 110.023 14.969 18.890 1.00 33.57 O +ATOM 19 N LYS A 4 108.812 17.487 16.962 1.00 32.73 N +ATOM 20 CA LYS A 4 107.449 17.720 16.427 1.00 32.42 C +ATOM 21 C LYS A 4 107.011 19.095 16.864 1.00 31.82 C +ATOM 22 O LYS A 4 107.401 19.515 17.944 1.00 30.69 O +ATOM 23 CB LYS A 4 106.607 16.557 16.905 1.00 34.06 C +ATOM 24 CG LYS A 4 105.131 16.749 16.710 1.00 36.63 C +ATOM 25 CD LYS A 4 104.280 15.854 17.577 1.00 38.95 C +ATOM 26 CE LYS A 4 102.889 16.442 17.859 1.00 40.42 C +ATOM 27 NZ LYS A 4 101.951 15.364 18.410 1.00 41.90 N +ATOM 28 N VAL A 5 106.323 19.764 15.957 1.00 30.99 N +ATOM 29 CA VAL A 5 105.729 21.085 16.104 1.00 30.62 C +ATOM 30 C VAL A 5 104.251 20.917 15.709 1.00 29.80 C +ATOM 31 O VAL A 5 103.949 20.497 14.585 1.00 30.29 O +ATOM 32 CB VAL A 5 106.396 22.215 15.317 1.00 30.79 C +ATOM 33 CG1 VAL A 5 105.707 23.555 15.510 1.00 30.73 C +ATOM 34 CG2 VAL A 5 107.857 22.297 15.711 1.00 31.64 C +ATOM 35 N TYR A 6 103.344 21.209 16.613 1.00 29.00 N +ATOM 36 CA TYR A 6 101.899 21.014 16.357 1.00 27.30 C +ATOM 37 C TYR A 6 101.109 22.226 16.740 1.00 25.79 C +ATOM 38 O TYR A 6 101.609 22.878 17.690 1.00 26.21 O +ATOM 39 CB TYR A 6 101.614 19.716 17.184 1.00 28.30 C +ATOM 40 CG TYR A 6 100.136 19.493 17.026 1.00 29.39 C +ATOM 41 CD1 TYR A 6 99.696 19.050 15.790 1.00 29.84 C +ATOM 42 CD2 TYR A 6 99.216 19.801 18.027 1.00 30.27 C +ATOM 43 CE1 TYR A 6 98.344 18.874 15.568 1.00 30.79 C +ATOM 44 CE2 TYR A 6 97.842 19.642 17.808 1.00 30.95 C +ATOM 45 CZ TYR A 6 97.431 19.168 16.569 1.00 31.46 C +ATOM 46 OH TYR A 6 96.111 18.987 16.200 1.00 32.58 O +ATOM 47 N ALA A 7 100.040 22.615 16.091 1.00 23.23 N +ATOM 48 CA ALA A 7 99.228 23.773 16.465 1.00 20.70 C +ATOM 49 C ALA A 7 97.762 23.311 16.447 1.00 19.94 C +ATOM 50 O ALA A 7 97.404 22.397 15.669 1.00 19.95 O +ATOM 51 CB ALA A 7 99.357 25.049 15.673 1.00 19.90 C +ATOM 52 N ARG A 8 96.983 23.925 17.300 1.00 18.36 N +ATOM 53 CA ARG A 8 95.549 23.734 17.457 1.00 17.16 C +ATOM 54 C ARG A 8 94.905 25.085 17.716 1.00 16.27 C +ATOM 55 O ARG A 8 95.510 26.092 18.086 1.00 15.88 O +ATOM 56 CB ARG A 8 95.116 22.742 18.539 1.00 17.68 C +ATOM 57 CG ARG A 8 95.617 23.068 19.970 1.00 18.69 C +ATOM 58 CD ARG A 8 94.702 22.291 20.893 1.00 17.86 C +ATOM 59 NE ARG A 8 95.130 20.898 20.813 1.00 18.61 N +ATOM 60 CZ ARG A 8 96.303 20.563 21.373 1.00 19.50 C +ATOM 61 NH1 ARG A 8 97.182 21.370 21.996 1.00 19.72 N +ATOM 62 NH2 ARG A 8 96.730 19.291 21.394 1.00 19.76 N +ATOM 63 N SER A 9 93.595 25.141 17.537 1.00 16.36 N +ATOM 64 CA SER A 9 92.829 26.397 17.783 1.00 16.50 C +ATOM 65 C SER A 9 92.255 26.296 19.193 1.00 17.15 C +ATOM 66 O SER A 9 91.698 25.190 19.459 1.00 17.60 O +ATOM 67 CB SER A 9 91.716 26.430 16.731 1.00 15.80 C +ATOM 68 OG SER A 9 91.101 27.649 16.763 1.00 14.74 O +ATOM 69 N VAL A 10 92.388 27.307 20.052 1.00 17.54 N +ATOM 70 CA VAL A 10 91.803 27.245 21.433 1.00 16.26 C +ATOM 71 C VAL A 10 91.178 28.606 21.619 1.00 16.90 C +ATOM 72 O VAL A 10 91.373 29.367 20.628 1.00 17.79 O +ATOM 73 CB VAL A 10 92.823 26.965 22.529 1.00 15.66 C +ATOM 74 CG1 VAL A 10 93.251 25.508 22.503 1.00 14.85 C +ATOM 75 CG2 VAL A 10 93.953 27.949 22.580 1.00 14.31 C +ATOM 76 N TYR A 11 90.488 28.899 22.703 1.00 16.43 N +ATOM 77 CA TYR A 11 89.844 30.220 22.888 1.00 15.34 C +ATOM 78 C TYR A 11 90.546 31.062 23.931 1.00 14.86 C +ATOM 79 O TYR A 11 91.151 30.607 24.926 1.00 14.89 O +ATOM 80 CB TYR A 11 88.395 29.908 23.332 1.00 16.08 C +ATOM 81 CG TYR A 11 87.578 29.164 22.305 1.00 15.79 C +ATOM 82 CD1 TYR A 11 87.569 27.790 22.163 1.00 16.25 C +ATOM 83 CD2 TYR A 11 86.842 29.926 21.396 1.00 16.06 C +ATOM 84 CE1 TYR A 11 86.764 27.201 21.189 1.00 17.29 C +ATOM 85 CE2 TYR A 11 86.041 29.357 20.406 1.00 16.41 C +ATOM 86 CZ TYR A 11 86.002 27.992 20.288 1.00 17.27 C +ATOM 87 OH TYR A 11 85.206 27.436 19.289 1.00 17.49 O +ATOM 88 N ASP A 12 90.543 32.310 23.690 1.00 14.20 N +ATOM 89 CA ASP A 12 91.055 33.453 24.407 1.00 14.42 C +ATOM 90 C ASP A 12 89.874 33.925 25.326 1.00 15.55 C +ATOM 91 O ASP A 12 88.649 33.592 25.239 1.00 14.69 O +ATOM 92 CB ASP A 12 91.684 34.506 23.522 1.00 14.16 C +ATOM 93 CG ASP A 12 90.805 35.506 22.834 1.00 14.58 C +ATOM 94 OD1 ASP A 12 89.568 35.463 23.023 1.00 14.38 O +ATOM 95 OD2 ASP A 12 91.189 36.431 22.115 1.00 14.79 O +ATOM 96 N SER A 13 90.341 34.741 26.267 1.00 16.72 N +ATOM 97 CA SER A 13 89.488 35.314 27.327 1.00 17.68 C +ATOM 98 C SER A 13 88.269 35.991 26.761 1.00 19.58 C +ATOM 99 O SER A 13 87.324 36.230 27.563 1.00 20.68 O +ATOM 100 CB SER A 13 90.374 36.145 28.205 1.00 17.24 C +ATOM 101 OG SER A 13 90.831 37.395 27.827 1.00 16.90 O +ATOM 102 N ARG A 14 88.173 36.238 25.445 1.00 20.74 N +ATOM 103 CA ARG A 14 86.944 36.900 24.961 1.00 21.38 C +ATOM 104 C ARG A 14 86.032 35.951 24.238 1.00 20.31 C +ATOM 105 O ARG A 14 84.966 36.338 23.792 1.00 20.42 O +ATOM 106 CB ARG A 14 87.310 38.054 24.069 1.00 24.05 C +ATOM 107 CG ARG A 14 87.780 39.240 24.861 1.00 27.35 C +ATOM 108 CD ARG A 14 88.985 39.729 24.141 1.00 30.65 C +ATOM 109 NE ARG A 14 88.643 41.128 23.899 1.00 34.62 N +ATOM 110 CZ ARG A 14 88.100 41.606 22.759 1.00 36.94 C +ATOM 111 NH1 ARG A 14 87.825 40.857 21.672 1.00 37.85 N +ATOM 112 NH2 ARG A 14 87.793 42.928 22.681 1.00 37.79 N +ATOM 113 N GLY A 15 86.446 34.722 24.179 1.00 19.72 N +ATOM 114 CA GLY A 15 85.656 33.701 23.470 1.00 19.26 C +ATOM 115 C GLY A 15 86.118 33.746 21.994 1.00 18.26 C +ATOM 116 O GLY A 15 85.316 33.243 21.241 1.00 18.29 O +ATOM 117 N ASN A 16 87.244 34.299 21.600 1.00 17.96 N +ATOM 118 CA ASN A 16 87.609 34.313 20.184 1.00 18.21 C +ATOM 119 C ASN A 16 88.727 33.272 20.034 1.00 18.58 C +ATOM 120 O ASN A 16 89.539 33.213 20.969 1.00 19.26 O +ATOM 121 CB ASN A 16 88.040 35.664 19.610 1.00 17.81 C +ATOM 122 CG ASN A 16 87.043 36.792 19.682 1.00 18.51 C +ATOM 123 OD1 ASN A 16 87.290 37.965 20.127 1.00 19.26 O +ATOM 124 ND2 ASN A 16 85.835 36.429 19.266 1.00 17.70 N +ATOM 125 N PRO A 17 88.808 32.578 18.892 1.00 18.31 N +ATOM 126 CA PRO A 17 89.862 31.625 18.605 1.00 17.65 C +ATOM 127 C PRO A 17 91.241 32.262 18.646 1.00 17.01 C +ATOM 128 O PRO A 17 91.594 33.440 18.427 1.00 16.84 O +ATOM 129 CB PRO A 17 89.541 31.233 17.142 1.00 18.71 C +ATOM 130 CG PRO A 17 88.087 31.502 16.984 1.00 18.46 C +ATOM 131 CD PRO A 17 87.803 32.728 17.829 1.00 18.06 C +ATOM 132 N THR A 18 92.208 31.396 18.929 1.00 16.82 N +ATOM 133 CA THR A 18 93.640 31.739 19.034 1.00 16.45 C +ATOM 134 C THR A 18 94.441 30.458 18.901 1.00 16.71 C +ATOM 135 O THR A 18 93.938 29.317 18.946 1.00 16.82 O +ATOM 136 CB THR A 18 94.095 32.611 20.258 1.00 16.77 C +ATOM 137 OG1 THR A 18 95.376 33.156 19.854 1.00 16.17 O +ATOM 138 CG2 THR A 18 94.115 31.858 21.624 1.00 15.45 C +ATOM 139 N VAL A 19 95.729 30.742 18.691 1.00 17.30 N +ATOM 140 CA VAL A 19 96.671 29.655 18.442 1.00 17.35 C +ATOM 141 C VAL A 19 97.447 29.186 19.657 1.00 17.92 C +ATOM 142 O VAL A 19 98.050 29.996 20.315 1.00 17.03 O +ATOM 143 CB VAL A 19 97.630 30.083 17.300 1.00 17.12 C +ATOM 144 CG1 VAL A 19 98.517 28.905 16.897 1.00 17.49 C +ATOM 145 CG2 VAL A 19 96.967 30.643 16.057 1.00 17.52 C +ATOM 146 N GLU A 20 97.453 27.877 19.810 1.00 19.49 N +ATOM 147 CA GLU A 20 98.151 27.139 20.839 1.00 21.24 C +ATOM 148 C GLU A 20 99.163 26.258 20.065 1.00 22.18 C +ATOM 149 O GLU A 20 98.687 25.521 19.173 1.00 22.55 O +ATOM 150 CB GLU A 20 97.262 26.215 21.639 1.00 21.56 C +ATOM 151 CG GLU A 20 97.943 25.148 22.487 1.00 22.49 C +ATOM 152 CD GLU A 20 96.970 24.565 23.509 1.00 23.93 C +ATOM 153 OE1 GLU A 20 96.498 25.420 24.328 1.00 24.39 O +ATOM 154 OE2 GLU A 20 96.671 23.379 23.583 1.00 23.95 O +ATOM 155 N VAL A 21 100.444 26.328 20.374 1.00 22.22 N +ATOM 156 CA VAL A 21 101.437 25.491 19.705 1.00 22.84 C +ATOM 157 C VAL A 21 102.011 24.499 20.698 1.00 23.92 C +ATOM 158 O VAL A 21 102.105 24.829 21.873 1.00 25.13 O +ATOM 159 CB VAL A 21 102.528 26.439 19.138 1.00 22.53 C +ATOM 160 CG1 VAL A 21 103.787 25.681 18.774 1.00 22.61 C +ATOM 161 CG2 VAL A 21 101.956 27.321 18.058 1.00 22.41 C +ATOM 162 N GLU A 22 102.384 23.313 20.377 1.00 24.96 N +ATOM 163 CA GLU A 22 103.021 22.308 21.152 1.00 26.28 C +ATOM 164 C GLU A 22 104.295 21.939 20.355 1.00 26.64 C +ATOM 165 O GLU A 22 104.180 21.615 19.132 1.00 25.69 O +ATOM 166 CB GLU A 22 102.294 20.975 21.319 1.00 28.06 C +ATOM 167 CG GLU A 22 101.220 21.121 22.378 1.00 30.60 C +ATOM 168 CD GLU A 22 100.216 20.005 22.521 1.00 32.13 C +ATOM 169 OE1 GLU A 22 100.579 18.927 21.977 1.00 32.62 O +ATOM 170 OE2 GLU A 22 99.154 20.253 23.089 1.00 32.88 O +ATOM 171 N LEU A 23 105.348 22.002 21.154 1.00 26.17 N +ATOM 172 CA LEU A 23 106.713 21.647 20.722 1.00 26.23 C +ATOM 173 C LEU A 23 107.139 20.382 21.441 1.00 27.15 C +ATOM 174 O LEU A 23 107.067 20.314 22.690 1.00 28.11 O +ATOM 175 CB LEU A 23 107.602 22.861 20.988 1.00 25.69 C +ATOM 176 CG LEU A 23 108.819 22.991 20.131 1.00 26.05 C +ATOM 177 CD1 LEU A 23 109.193 24.406 19.722 1.00 26.33 C +ATOM 178 CD2 LEU A 23 110.037 22.401 20.870 1.00 26.21 C +ATOM 179 N THR A 24 107.547 19.313 20.787 1.00 27.94 N +ATOM 180 CA THR A 24 107.997 18.062 21.394 1.00 28.25 C +ATOM 181 C THR A 24 109.517 18.056 21.189 1.00 29.30 C +ATOM 182 O THR A 24 110.041 18.531 20.186 1.00 29.38 O +ATOM 183 CB THR A 24 107.210 16.806 20.918 1.00 28.07 C +ATOM 184 OG1 THR A 24 105.785 17.130 21.058 1.00 28.20 O +ATOM 185 CG2 THR A 24 107.514 15.482 21.614 1.00 27.66 C +ATOM 186 N THR A 25 110.204 17.580 22.205 1.00 30.29 N +ATOM 187 CA THR A 25 111.643 17.431 22.333 1.00 31.72 C +ATOM 188 C THR A 25 111.829 16.213 23.223 1.00 33.82 C +ATOM 189 O THR A 25 110.830 15.633 23.719 1.00 34.62 O +ATOM 190 CB THR A 25 112.365 18.742 22.819 1.00 31.17 C +ATOM 191 OG1 THR A 25 112.359 18.738 24.273 1.00 30.30 O +ATOM 192 CG2 THR A 25 111.627 19.944 22.211 1.00 31.32 C +ATOM 193 N GLU A 26 113.069 15.763 23.374 1.00 36.07 N +ATOM 194 CA GLU A 26 113.270 14.583 24.221 1.00 37.75 C +ATOM 195 C GLU A 26 112.955 14.900 25.685 1.00 37.88 C +ATOM 196 O GLU A 26 113.137 13.972 26.505 1.00 38.42 O +ATOM 197 CB GLU A 26 114.750 14.156 24.252 1.00 39.25 C +ATOM 198 CG GLU A 26 115.510 15.283 25.001 1.00 41.24 C +ATOM 199 CD GLU A 26 116.124 16.254 24.016 1.00 42.29 C +ATOM 200 OE1 GLU A 26 116.185 15.658 22.897 1.00 43.07 O +ATOM 201 OE2 GLU A 26 116.498 17.340 24.411 1.00 42.71 O +ATOM 202 N LYS A 27 112.612 16.128 26.046 1.00 37.59 N +ATOM 203 CA LYS A 27 112.300 16.381 27.459 1.00 36.95 C +ATOM 204 C LYS A 27 110.788 16.385 27.657 1.00 36.11 C +ATOM 205 O LYS A 27 110.441 16.201 28.838 1.00 37.08 O +ATOM 206 CB LYS A 27 112.977 17.578 28.078 1.00 37.91 C +ATOM 207 CG LYS A 27 114.459 17.345 27.828 1.00 39.29 C +ATOM 208 CD LYS A 27 115.328 18.046 28.862 1.00 40.73 C +ATOM 209 CE LYS A 27 116.583 18.439 28.055 1.00 42.38 C +ATOM 210 NZ LYS A 27 117.855 18.252 28.828 1.00 43.26 N +ATOM 211 N GLY A 28 109.956 16.495 26.631 1.00 33.98 N +ATOM 212 CA GLY A 28 108.493 16.486 26.802 1.00 30.84 C +ATOM 213 C GLY A 28 107.969 17.502 25.782 1.00 29.25 C +ATOM 214 O GLY A 28 108.704 17.977 24.935 1.00 28.46 O +ATOM 215 N VAL A 29 106.723 17.852 25.913 1.00 28.31 N +ATOM 216 CA VAL A 29 105.911 18.787 25.136 1.00 26.92 C +ATOM 217 C VAL A 29 105.794 20.125 25.859 1.00 26.05 C +ATOM 218 O VAL A 29 105.329 20.177 27.007 1.00 26.21 O +ATOM 219 CB VAL A 29 104.545 18.090 24.931 1.00 26.70 C +ATOM 220 CG1 VAL A 29 103.601 18.786 23.978 1.00 26.41 C +ATOM 221 CG2 VAL A 29 104.809 16.649 24.540 1.00 26.57 C +ATOM 222 N PHE A 30 106.206 21.156 25.182 1.00 25.05 N +ATOM 223 CA PHE A 30 106.229 22.547 25.697 1.00 24.56 C +ATOM 224 C PHE A 30 105.138 23.295 25.006 1.00 24.55 C +ATOM 225 O PHE A 30 105.123 23.142 23.773 1.00 25.00 O +ATOM 226 CB PHE A 30 107.651 23.078 25.532 1.00 23.27 C +ATOM 227 CG PHE A 30 108.520 22.158 26.389 1.00 22.64 C +ATOM 228 CD1 PHE A 30 108.681 22.433 27.742 1.00 21.36 C +ATOM 229 CD2 PHE A 30 109.136 21.041 25.811 1.00 22.38 C +ATOM 230 CE1 PHE A 30 109.449 21.599 28.513 1.00 21.27 C +ATOM 231 CE2 PHE A 30 109.927 20.194 26.616 1.00 22.15 C +ATOM 232 CZ PHE A 30 110.096 20.476 28.004 1.00 21.43 C +ATOM 233 N ARG A 31 104.319 24.000 25.740 1.00 24.62 N +ATOM 234 CA ARG A 31 103.194 24.639 24.978 1.00 25.42 C +ATOM 235 C ARG A 31 103.141 26.130 25.037 1.00 24.44 C +ATOM 236 O ARG A 31 103.759 26.679 25.969 1.00 25.51 O +ATOM 237 CB ARG A 31 101.896 23.920 25.451 1.00 26.04 C +ATOM 238 CG ARG A 31 100.676 24.870 25.390 1.00 28.04 C +ATOM 239 CD ARG A 31 99.566 24.265 26.246 1.00 29.56 C +ATOM 240 NE ARG A 31 99.630 22.815 25.891 1.00 30.95 N +ATOM 241 CZ ARG A 31 99.061 21.843 26.614 1.00 31.20 C +ATOM 242 NH1 ARG A 31 98.403 22.101 27.751 1.00 30.97 N +ATOM 243 NH2 ARG A 31 99.117 20.610 26.107 1.00 31.18 N +ATOM 244 N SER A 32 102.505 26.836 24.136 1.00 23.42 N +ATOM 245 CA SER A 32 102.385 28.294 24.262 1.00 23.04 C +ATOM 246 C SER A 32 100.997 28.617 23.695 1.00 22.24 C +ATOM 247 O SER A 32 100.465 27.853 22.870 1.00 20.96 O +ATOM 248 CB SER A 32 103.538 29.093 23.733 1.00 24.62 C +ATOM 249 OG SER A 32 103.403 29.058 22.314 1.00 26.80 O +ATOM 250 N ILE A 33 100.416 29.696 24.209 1.00 21.45 N +ATOM 251 CA ILE A 33 99.074 30.133 23.731 1.00 21.10 C +ATOM 252 C ILE A 33 99.332 31.632 23.479 1.00 22.12 C +ATOM 253 O ILE A 33 99.909 32.289 24.393 1.00 22.17 O +ATOM 254 CB ILE A 33 97.863 29.802 24.635 1.00 19.78 C +ATOM 255 CG1 ILE A 33 98.011 28.378 25.196 1.00 18.95 C +ATOM 256 CG2 ILE A 33 96.470 30.031 24.027 1.00 19.13 C +ATOM 257 CD1 ILE A 33 97.031 28.169 26.388 1.00 18.93 C +ATOM 258 N VAL A 34 98.943 32.078 22.301 1.00 22.84 N +ATOM 259 CA VAL A 34 99.120 33.461 21.824 1.00 24.59 C +ATOM 260 C VAL A 34 97.933 34.373 22.161 1.00 25.06 C +ATOM 261 O VAL A 34 96.759 34.022 21.927 1.00 24.99 O +ATOM 262 CB VAL A 34 99.454 33.327 20.278 1.00 24.89 C +ATOM 263 CG1 VAL A 34 99.194 34.564 19.428 1.00 25.09 C +ATOM 264 CG2 VAL A 34 100.874 32.840 20.005 1.00 25.18 C +ATOM 265 N PRO A 35 98.197 35.555 22.667 1.00 26.50 N +ATOM 266 CA PRO A 35 97.170 36.531 22.992 1.00 29.08 C +ATOM 267 C PRO A 35 96.645 37.045 21.641 1.00 33.15 C +ATOM 268 O PRO A 35 97.379 37.045 20.610 1.00 33.56 O +ATOM 269 CB PRO A 35 97.842 37.619 23.794 1.00 27.79 C +ATOM 270 CG PRO A 35 99.308 37.461 23.596 1.00 26.95 C +ATOM 271 CD PRO A 35 99.519 36.101 22.962 1.00 26.80 C +ATOM 272 N SER A 36 95.398 37.505 21.662 1.00 37.21 N +ATOM 273 CA SER A 36 94.814 38.007 20.380 1.00 41.07 C +ATOM 274 C SER A 36 95.318 39.450 20.210 1.00 43.50 C +ATOM 275 O SER A 36 95.221 40.376 21.023 1.00 43.90 O +ATOM 276 CB SER A 36 93.365 37.650 20.179 1.00 41.63 C +ATOM 277 OG SER A 36 93.066 36.275 19.739 1.00 41.94 O +ATOM 278 N GLY A 37 95.974 39.559 19.043 1.00 45.85 N +ATOM 279 CA GLY A 37 96.620 40.692 18.398 1.00 48.48 C +ATOM 280 C GLY A 37 95.856 41.421 17.281 1.00 50.57 C +ATOM 281 O GLY A 37 94.598 41.422 17.215 1.00 50.62 O +ATOM 282 N ALA A 38 96.588 42.095 16.371 1.00 52.36 N +ATOM 283 CA ALA A 38 96.013 42.854 15.245 1.00 53.70 C +ATOM 284 C ALA A 38 96.100 42.032 13.963 1.00 55.31 C +ATOM 285 O ALA A 38 97.164 41.394 13.824 1.00 55.82 O +ATOM 286 CB ALA A 38 96.802 44.134 15.008 1.00 53.17 C +ATOM 287 N SER A 39 95.081 42.042 13.121 1.00 56.99 N +ATOM 288 CA SER A 39 95.147 41.269 11.867 1.00 58.54 C +ATOM 289 C SER A 39 95.267 42.237 10.691 1.00 59.93 C +ATOM 290 O SER A 39 95.418 41.772 9.548 1.00 60.31 O +ATOM 291 CB SER A 39 94.082 40.223 11.657 1.00 58.57 C +ATOM 292 OG SER A 39 92.793 40.783 11.530 1.00 59.00 O +ATOM 293 N THR A 40 95.205 43.522 10.958 1.00 61.46 N +ATOM 294 CA THR A 40 95.366 44.627 9.980 1.00 62.78 C +ATOM 295 C THR A 40 96.448 45.487 10.670 1.00 63.43 C +ATOM 296 O THR A 40 96.350 45.926 11.830 1.00 63.63 O +ATOM 297 CB THR A 40 94.102 45.331 9.427 1.00 62.95 C +ATOM 298 OG1 THR A 40 93.320 45.779 10.576 1.00 63.64 O +ATOM 299 CG2 THR A 40 93.170 44.455 8.561 1.00 63.06 C +ATOM 300 N GLY A 41 97.554 45.635 9.955 1.00 64.12 N +ATOM 301 CA GLY A 41 98.763 46.299 10.322 1.00 64.49 C +ATOM 302 C GLY A 41 99.280 47.693 10.155 1.00 64.39 C +ATOM 303 O GLY A 41 99.573 48.242 9.083 1.00 64.72 O +ATOM 304 N VAL A 42 99.467 48.327 11.314 1.00 63.94 N +ATOM 305 CA VAL A 42 100.009 49.676 11.578 1.00 62.71 C +ATOM 306 C VAL A 42 101.448 49.632 11.006 1.00 61.60 C +ATOM 307 O VAL A 42 101.765 49.835 9.797 1.00 61.88 O +ATOM 308 CB VAL A 42 99.839 49.971 13.091 1.00 62.94 C +ATOM 309 CG1 VAL A 42 100.766 50.994 13.748 1.00 62.93 C +ATOM 310 CG2 VAL A 42 98.414 50.396 13.493 1.00 62.99 C +ATOM 311 N HIS A 43 102.324 49.328 11.944 1.00 59.30 N +ATOM 312 CA HIS A 43 103.777 49.142 11.908 1.00 56.86 C +ATOM 313 C HIS A 43 103.889 47.988 12.928 1.00 54.56 C +ATOM 314 O HIS A 43 104.631 48.101 13.909 1.00 54.95 O +ATOM 315 CB HIS A 43 104.659 50.298 12.480 1.00 56.90 C +ATOM 316 CG HIS A 43 104.148 51.560 11.852 1.00 57.00 C +ATOM 317 ND1 HIS A 43 104.648 52.059 10.662 1.00 57.10 N +ATOM 318 CD2 HIS A 43 103.140 52.373 12.249 1.00 56.91 C +ATOM 319 CE1 HIS A 43 103.945 53.160 10.390 1.00 57.14 C +ATOM 320 NE2 HIS A 43 103.027 53.381 11.317 1.00 56.76 N +ATOM 321 N GLU A 44 103.047 47.007 12.662 1.00 51.60 N +ATOM 322 CA GLU A 44 102.985 45.858 13.573 1.00 48.50 C +ATOM 323 C GLU A 44 102.761 44.562 12.815 1.00 46.35 C +ATOM 324 O GLU A 44 102.242 44.530 11.686 1.00 46.49 O +ATOM 325 CB GLU A 44 101.883 45.999 14.601 1.00 48.34 C +ATOM 326 CG GLU A 44 100.474 46.161 14.040 1.00 48.66 C +ATOM 327 CD GLU A 44 99.604 46.805 15.093 1.00 48.89 C +ATOM 328 OE1 GLU A 44 99.764 46.181 16.169 1.00 48.98 O +ATOM 329 OE2 GLU A 44 98.925 47.802 14.876 1.00 49.01 O +ATOM 330 N ALA A 45 103.269 43.580 13.530 1.00 43.30 N +ATOM 331 CA ALA A 45 103.217 42.204 13.093 1.00 41.10 C +ATOM 332 C ALA A 45 101.701 41.992 13.030 1.00 40.49 C +ATOM 333 O ALA A 45 100.864 42.443 13.818 1.00 39.99 O +ATOM 334 CB ALA A 45 104.007 41.352 14.010 1.00 40.86 C +ATOM 335 N LEU A 46 101.342 41.323 11.959 1.00 39.93 N +ATOM 336 CA LEU A 46 99.994 41.000 11.609 1.00 39.31 C +ATOM 337 C LEU A 46 99.756 39.547 11.953 1.00 39.08 C +ATOM 338 O LEU A 46 100.512 38.618 11.764 1.00 39.21 O +ATOM 339 CB LEU A 46 99.638 41.356 10.170 1.00 39.54 C +ATOM 340 CG LEU A 46 99.596 42.870 9.997 1.00 40.11 C +ATOM 341 CD1 LEU A 46 99.058 43.107 8.582 1.00 40.46 C +ATOM 342 CD2 LEU A 46 98.740 43.568 11.056 1.00 39.77 C +ATOM 343 N GLU A 47 98.580 39.532 12.497 1.00 38.94 N +ATOM 344 CA GLU A 47 97.871 38.369 12.984 1.00 39.07 C +ATOM 345 C GLU A 47 96.913 37.985 11.858 1.00 37.79 C +ATOM 346 O GLU A 47 96.239 38.847 11.293 1.00 37.19 O +ATOM 347 CB GLU A 47 97.109 38.881 14.211 1.00 40.37 C +ATOM 348 CG GLU A 47 95.902 38.045 14.564 1.00 42.20 C +ATOM 349 CD GLU A 47 95.141 38.430 15.810 1.00 43.10 C +ATOM 350 OE1 GLU A 47 95.682 37.783 16.761 1.00 43.78 O +ATOM 351 OE2 GLU A 47 94.187 39.201 15.711 1.00 43.50 O +ATOM 352 N MET A 48 96.919 36.710 11.583 1.00 36.96 N +ATOM 353 CA MET A 48 96.093 36.116 10.550 1.00 36.67 C +ATOM 354 C MET A 48 94.814 35.346 10.925 1.00 35.51 C +ATOM 355 O MET A 48 94.806 34.222 11.489 1.00 35.02 O +ATOM 356 CB MET A 48 97.043 35.227 9.709 1.00 37.59 C +ATOM 357 CG MET A 48 96.452 35.106 8.291 1.00 38.60 C +ATOM 358 SD MET A 48 97.108 33.506 7.716 1.00 39.83 S +ATOM 359 CE MET A 48 98.756 34.058 7.237 1.00 39.67 C +ATOM 360 N ARG A 49 93.726 35.963 10.462 1.00 33.91 N +ATOM 361 CA ARG A 49 92.373 35.426 10.656 1.00 32.77 C +ATOM 362 C ARG A 49 91.689 34.935 9.416 1.00 32.27 C +ATOM 363 O ARG A 49 91.720 35.704 8.454 1.00 32.62 O +ATOM 364 CB ARG A 49 91.554 36.574 11.325 1.00 32.49 C +ATOM 365 CG ARG A 49 92.163 36.697 12.717 1.00 31.60 C +ATOM 366 CD ARG A 49 91.522 37.467 13.742 1.00 31.21 C +ATOM 367 NE ARG A 49 91.920 36.987 15.036 1.00 31.57 N +ATOM 368 CZ ARG A 49 91.899 36.118 16.013 1.00 31.16 C +ATOM 369 NH1 ARG A 49 91.272 34.974 16.188 1.00 29.75 N +ATOM 370 NH2 ARG A 49 92.705 36.426 17.079 1.00 31.73 N +ATOM 371 N ASP A 50 91.087 33.766 9.396 1.00 31.43 N +ATOM 372 CA ASP A 50 90.368 33.242 8.254 1.00 30.98 C +ATOM 373 C ASP A 50 89.396 34.221 7.620 1.00 31.87 C +ATOM 374 O ASP A 50 89.126 34.031 6.390 1.00 32.91 O +ATOM 375 CB ASP A 50 89.622 31.987 8.720 1.00 30.07 C +ATOM 376 CG ASP A 50 90.623 31.073 9.353 1.00 29.77 C +ATOM 377 OD1 ASP A 50 91.810 31.372 9.117 1.00 29.93 O +ATOM 378 OD2 ASP A 50 90.283 30.107 10.030 1.00 30.00 O +ATOM 379 N GLY A 51 88.804 35.219 8.234 1.00 31.80 N +ATOM 380 CA GLY A 51 87.830 36.103 7.565 1.00 32.29 C +ATOM 381 C GLY A 51 86.527 35.426 7.076 1.00 32.73 C +ATOM 382 O GLY A 51 85.719 36.057 6.326 1.00 33.13 O +ATOM 383 N ASP A 52 86.297 34.162 7.446 1.00 32.19 N +ATOM 384 CA ASP A 52 85.098 33.399 7.086 1.00 31.28 C +ATOM 385 C ASP A 52 83.962 33.725 8.057 1.00 31.26 C +ATOM 386 O ASP A 52 83.870 33.170 9.165 1.00 30.80 O +ATOM 387 CB ASP A 52 85.446 31.914 7.145 1.00 31.01 C +ATOM 388 CG ASP A 52 84.141 31.199 6.758 1.00 31.46 C +ATOM 389 OD1 ASP A 52 83.149 31.992 6.724 1.00 31.31 O +ATOM 390 OD2 ASP A 52 84.144 29.971 6.577 1.00 30.86 O +ATOM 391 N LYS A 53 83.105 34.609 7.666 1.00 31.52 N +ATOM 392 CA LYS A 53 81.985 35.106 8.440 1.00 32.47 C +ATOM 393 C LYS A 53 81.041 34.067 9.024 1.00 31.60 C +ATOM 394 O LYS A 53 80.370 34.327 10.034 1.00 30.71 O +ATOM 395 CB LYS A 53 81.226 36.131 7.592 1.00 34.54 C +ATOM 396 CG LYS A 53 82.075 37.389 7.368 1.00 36.91 C +ATOM 397 CD LYS A 53 81.436 38.323 6.321 1.00 38.78 C +ATOM 398 CE LYS A 53 82.485 39.035 5.449 1.00 40.21 C +ATOM 399 NZ LYS A 53 81.904 39.775 4.279 1.00 41.10 N +ATOM 400 N SER A 54 80.972 32.909 8.404 1.00 30.79 N +ATOM 401 CA SER A 54 80.181 31.747 8.756 1.00 29.57 C +ATOM 402 C SER A 54 80.892 30.948 9.863 1.00 28.93 C +ATOM 403 O SER A 54 80.471 29.817 10.182 1.00 29.40 O +ATOM 404 CB SER A 54 80.018 30.792 7.569 1.00 29.39 C +ATOM 405 OG SER A 54 81.192 30.084 7.216 1.00 29.06 O +ATOM 406 N LYS A 55 81.993 31.463 10.355 1.00 27.83 N +ATOM 407 CA LYS A 55 82.736 30.742 11.410 1.00 26.51 C +ATOM 408 C LYS A 55 83.468 31.742 12.290 1.00 25.38 C +ATOM 409 O LYS A 55 84.274 32.520 11.772 1.00 24.52 O +ATOM 410 CB LYS A 55 83.681 29.726 10.846 1.00 26.95 C +ATOM 411 CG LYS A 55 82.854 28.504 10.517 1.00 27.90 C +ATOM 412 CD LYS A 55 83.798 27.307 10.338 1.00 28.82 C +ATOM 413 CE LYS A 55 82.769 26.230 10.094 1.00 30.56 C +ATOM 414 NZ LYS A 55 83.363 24.858 10.007 1.00 32.25 N +ATOM 415 N TRP A 56 83.061 31.594 13.569 1.00 24.25 N +ATOM 416 CA TRP A 56 83.600 32.424 14.630 1.00 22.33 C +ATOM 417 C TRP A 56 83.541 33.886 14.311 1.00 22.34 C +ATOM 418 O TRP A 56 84.430 34.588 14.779 1.00 21.71 O +ATOM 419 CB TRP A 56 85.036 32.076 14.935 1.00 21.89 C +ATOM 420 CG TRP A 56 85.246 30.697 15.447 1.00 21.93 C +ATOM 421 CD1 TRP A 56 84.960 30.278 16.736 1.00 21.28 C +ATOM 422 CD2 TRP A 56 85.852 29.597 14.760 1.00 22.00 C +ATOM 423 NE1 TRP A 56 85.355 28.982 16.870 1.00 22.06 N +ATOM 424 CE2 TRP A 56 85.913 28.518 15.691 1.00 22.09 C +ATOM 425 CE3 TRP A 56 86.366 29.415 13.476 1.00 22.31 C +ATOM 426 CZ2 TRP A 56 86.428 27.275 15.355 1.00 21.93 C +ATOM 427 CZ3 TRP A 56 86.881 28.179 13.123 1.00 22.13 C +ATOM 428 CH2 TRP A 56 86.902 27.125 14.054 1.00 22.43 C +ATOM 429 N MET A 57 82.564 34.260 13.561 1.00 24.37 N +ATOM 430 CA MET A 57 82.342 35.694 13.146 1.00 26.87 C +ATOM 431 C MET A 57 83.466 36.215 12.226 1.00 26.82 C +ATOM 432 O MET A 57 83.800 37.404 12.074 1.00 27.41 O +ATOM 433 CB MET A 57 82.079 36.567 14.370 1.00 28.39 C +ATOM 434 CG MET A 57 81.335 35.759 15.452 1.00 30.83 C +ATOM 435 SD MET A 57 79.808 36.746 15.851 1.00 33.45 S +ATOM 436 CE MET A 57 78.663 35.408 15.561 1.00 32.77 C +ATOM 437 N GLY A 58 84.112 35.246 11.577 1.00 26.50 N +ATOM 438 CA GLY A 58 85.230 35.482 10.689 1.00 26.06 C +ATOM 439 C GLY A 58 86.518 35.604 11.476 1.00 26.16 C +ATOM 440 O GLY A 58 87.359 36.390 10.995 1.00 26.59 O +ATOM 441 N LYS A 59 86.719 34.936 12.628 1.00 25.26 N +ATOM 442 CA LYS A 59 87.963 35.072 13.360 1.00 23.77 C +ATOM 443 C LYS A 59 88.609 33.700 13.585 1.00 23.51 C +ATOM 444 O LYS A 59 89.306 33.681 14.617 1.00 23.81 O +ATOM 445 CB LYS A 59 88.043 35.731 14.705 1.00 23.59 C +ATOM 446 CG LYS A 59 86.792 36.588 14.862 1.00 24.87 C +ATOM 447 CD LYS A 59 87.166 38.019 15.206 1.00 25.02 C +ATOM 448 CE LYS A 59 85.844 38.608 15.661 1.00 26.17 C +ATOM 449 NZ LYS A 59 86.053 39.963 16.283 1.00 26.86 N +ATOM 450 N GLY A 60 88.397 32.750 12.723 1.00 21.98 N +ATOM 451 CA GLY A 60 89.094 31.456 12.965 1.00 21.63 C +ATOM 452 C GLY A 60 90.563 31.846 12.784 1.00 21.33 C +ATOM 453 O GLY A 60 90.923 32.971 12.414 1.00 20.89 O +ATOM 454 N VAL A 61 91.418 30.891 13.043 1.00 21.11 N +ATOM 455 CA VAL A 61 92.898 31.027 12.984 1.00 20.48 C +ATOM 456 C VAL A 61 93.256 29.674 12.375 1.00 21.60 C +ATOM 457 O VAL A 61 94.359 29.191 12.605 1.00 22.02 O +ATOM 458 CB VAL A 61 93.477 31.427 14.350 1.00 19.36 C +ATOM 459 CG1 VAL A 61 93.100 32.817 14.849 1.00 18.67 C +ATOM 460 CG2 VAL A 61 92.998 30.481 15.480 1.00 18.92 C +ATOM 461 N LEU A 62 92.281 29.071 11.681 1.00 22.89 N +ATOM 462 CA LEU A 62 92.488 27.801 10.993 1.00 24.46 C +ATOM 463 C LEU A 62 93.661 27.883 9.985 1.00 24.83 C +ATOM 464 O LEU A 62 94.342 26.881 9.869 1.00 24.11 O +ATOM 465 CB LEU A 62 91.170 27.431 10.269 1.00 25.46 C +ATOM 466 CG LEU A 62 90.024 26.920 11.106 1.00 26.01 C +ATOM 467 CD1 LEU A 62 89.146 25.987 10.315 1.00 26.16 C +ATOM 468 CD2 LEU A 62 90.589 26.087 12.285 1.00 26.88 C +ATOM 469 N HIS A 63 93.847 28.991 9.278 1.00 26.11 N +ATOM 470 CA HIS A 63 94.954 29.132 8.310 1.00 27.51 C +ATOM 471 C HIS A 63 96.293 29.127 9.047 1.00 27.15 C +ATOM 472 O HIS A 63 97.157 28.263 8.775 1.00 26.83 O +ATOM 473 CB HIS A 63 94.883 30.440 7.512 1.00 30.30 C +ATOM 474 CG HIS A 63 93.659 30.402 6.642 1.00 33.12 C +ATOM 475 ND1 HIS A 63 93.088 31.486 6.026 1.00 34.02 N +ATOM 476 CD2 HIS A 63 92.875 29.318 6.343 1.00 34.10 C +ATOM 477 CE1 HIS A 63 92.012 31.061 5.345 1.00 34.67 C +ATOM 478 NE2 HIS A 63 91.846 29.766 5.532 1.00 34.89 N +ATOM 479 N ALA A 64 96.332 30.102 9.960 1.00 26.46 N +ATOM 480 CA ALA A 64 97.448 30.313 10.915 1.00 25.54 C +ATOM 481 C ALA A 64 97.810 28.951 11.472 1.00 25.13 C +ATOM 482 O ALA A 64 99.005 28.593 11.445 1.00 25.41 O +ATOM 483 CB ALA A 64 97.086 31.362 11.924 1.00 24.66 C +ATOM 484 N VAL A 65 96.910 28.097 11.884 1.00 25.12 N +ATOM 485 CA VAL A 65 97.180 26.761 12.402 1.00 25.69 C +ATOM 486 C VAL A 65 97.742 25.839 11.319 1.00 27.60 C +ATOM 487 O VAL A 65 98.501 24.848 11.564 1.00 28.55 O +ATOM 488 CB VAL A 65 95.907 26.161 13.021 1.00 25.37 C +ATOM 489 CG1 VAL A 65 96.099 24.684 13.397 1.00 25.17 C +ATOM 490 CG2 VAL A 65 95.351 26.878 14.237 1.00 24.73 C +ATOM 491 N LYS A 66 97.338 26.088 10.069 1.00 28.81 N +ATOM 492 CA LYS A 66 97.802 25.313 8.920 1.00 29.85 C +ATOM 493 C LYS A 66 99.246 25.690 8.600 1.00 27.92 C +ATOM 494 O LYS A 66 100.003 24.782 8.242 1.00 27.89 O +ATOM 495 CB LYS A 66 96.981 25.555 7.660 1.00 33.26 C +ATOM 496 CG LYS A 66 96.118 24.303 7.433 1.00 37.28 C +ATOM 497 CD LYS A 66 94.599 24.647 7.494 1.00 40.62 C +ATOM 498 CE LYS A 66 93.696 23.470 7.988 1.00 42.03 C +ATOM 499 NZ LYS A 66 92.374 23.500 7.241 1.00 43.68 N +ATOM 500 N ASN A 67 99.552 26.958 8.776 1.00 26.31 N +ATOM 501 CA ASN A 67 100.878 27.492 8.554 1.00 25.45 C +ATOM 502 C ASN A 67 101.837 26.809 9.497 1.00 26.11 C +ATOM 503 O ASN A 67 102.944 26.565 8.980 1.00 27.11 O +ATOM 504 CB ASN A 67 101.081 28.983 8.733 1.00 25.38 C +ATOM 505 CG ASN A 67 100.375 29.611 7.528 1.00 26.09 C +ATOM 506 OD1 ASN A 67 100.151 28.784 6.627 1.00 26.22 O +ATOM 507 ND2 ASN A 67 100.015 30.892 7.471 1.00 26.07 N +ATOM 508 N VAL A 68 101.417 26.568 10.742 1.00 25.68 N +ATOM 509 CA VAL A 68 102.311 25.942 11.720 1.00 24.76 C +ATOM 510 C VAL A 68 102.548 24.500 11.312 1.00 24.30 C +ATOM 511 O VAL A 68 103.647 23.998 11.137 1.00 24.64 O +ATOM 512 CB VAL A 68 101.805 26.035 13.209 1.00 24.55 C +ATOM 513 CG1 VAL A 68 102.746 25.238 14.114 1.00 23.84 C +ATOM 514 CG2 VAL A 68 101.633 27.441 13.736 1.00 24.31 C +ATOM 515 N ASN A 69 101.443 23.839 11.250 1.00 24.79 N +ATOM 516 CA ASN A 69 101.293 22.427 10.915 1.00 25.87 C +ATOM 517 C ASN A 69 101.868 22.096 9.535 1.00 26.63 C +ATOM 518 O ASN A 69 102.658 21.159 9.416 1.00 26.27 O +ATOM 519 CB ASN A 69 99.775 22.204 11.052 1.00 26.00 C +ATOM 520 CG ASN A 69 99.241 22.017 12.465 1.00 25.87 C +ATOM 521 OD1 ASN A 69 100.007 21.622 13.358 1.00 26.18 O +ATOM 522 ND2 ASN A 69 97.963 22.225 12.743 1.00 25.18 N +ATOM 523 N ASP A 70 101.439 22.821 8.506 1.00 28.06 N +ATOM 524 CA ASP A 70 101.889 22.565 7.142 1.00 30.00 C +ATOM 525 C ASP A 70 103.220 23.170 6.683 1.00 29.61 C +ATOM 526 O ASP A 70 103.897 22.455 5.917 1.00 29.69 O +ATOM 527 CB ASP A 70 100.805 22.874 6.104 1.00 32.08 C +ATOM 528 CG ASP A 70 99.661 21.876 6.167 1.00 34.43 C +ATOM 529 OD1 ASP A 70 99.839 20.724 6.667 1.00 35.07 O +ATOM 530 OD2 ASP A 70 98.524 22.258 5.724 1.00 36.01 O +ATOM 531 N VAL A 71 103.584 24.356 7.092 1.00 28.62 N +ATOM 532 CA VAL A 71 104.851 24.960 6.648 1.00 27.56 C +ATOM 533 C VAL A 71 105.989 24.968 7.655 1.00 27.05 C +ATOM 534 O VAL A 71 107.082 24.495 7.308 1.00 26.89 O +ATOM 535 CB VAL A 71 104.495 26.388 6.185 1.00 27.08 C +ATOM 536 CG1 VAL A 71 105.632 27.173 5.569 1.00 27.13 C +ATOM 537 CG2 VAL A 71 103.264 26.331 5.290 1.00 27.20 C +ATOM 538 N ILE A 72 105.788 25.542 8.820 1.00 26.49 N +ATOM 539 CA ILE A 72 106.839 25.661 9.834 1.00 25.40 C +ATOM 540 C ILE A 72 107.321 24.322 10.354 1.00 25.25 C +ATOM 541 O ILE A 72 108.547 24.043 10.376 1.00 25.31 O +ATOM 542 CB ILE A 72 106.358 26.677 10.979 1.00 24.52 C +ATOM 543 CG1 ILE A 72 105.925 28.000 10.358 1.00 23.43 C +ATOM 544 CG2 ILE A 72 107.412 26.942 12.087 1.00 24.47 C +ATOM 545 CD1 ILE A 72 105.335 29.081 11.288 1.00 23.32 C +ATOM 546 N ALA A 73 106.384 23.501 10.793 1.00 25.10 N +ATOM 547 CA ALA A 73 106.698 22.215 11.434 1.00 24.91 C +ATOM 548 C ALA A 73 107.710 21.427 10.624 1.00 25.75 C +ATOM 549 O ALA A 73 108.823 21.068 11.066 1.00 26.57 O +ATOM 550 CB ALA A 73 105.414 21.499 11.753 1.00 23.98 C +ATOM 551 N PRO A 74 107.301 21.117 9.398 1.00 25.96 N +ATOM 552 CA PRO A 74 108.159 20.325 8.465 1.00 25.85 C +ATOM 553 C PRO A 74 109.576 20.890 8.366 1.00 24.71 C +ATOM 554 O PRO A 74 110.601 20.277 8.625 1.00 24.20 O +ATOM 555 CB PRO A 74 107.295 20.231 7.212 1.00 25.66 C +ATOM 556 CG PRO A 74 105.984 20.877 7.477 1.00 25.77 C +ATOM 557 CD PRO A 74 105.987 21.498 8.832 1.00 25.84 C +ATOM 558 N ALA A 75 109.683 22.142 7.995 1.00 24.61 N +ATOM 559 CA ALA A 75 110.885 22.930 7.849 1.00 25.33 C +ATOM 560 C ALA A 75 111.727 23.007 9.130 1.00 26.25 C +ATOM 561 O ALA A 75 112.946 22.882 9.089 1.00 26.35 O +ATOM 562 CB ALA A 75 110.476 24.355 7.431 1.00 24.46 C +ATOM 563 N PHE A 76 111.074 23.285 10.250 1.00 27.02 N +ATOM 564 CA PHE A 76 111.696 23.457 11.547 1.00 27.61 C +ATOM 565 C PHE A 76 112.318 22.161 12.000 1.00 27.64 C +ATOM 566 O PHE A 76 113.423 22.139 12.518 1.00 27.70 O +ATOM 567 CB PHE A 76 110.647 24.032 12.557 1.00 28.52 C +ATOM 568 CG PHE A 76 111.208 24.645 13.823 1.00 28.56 C +ATOM 569 CD1 PHE A 76 111.635 23.825 14.858 1.00 28.59 C +ATOM 570 CD2 PHE A 76 111.367 26.030 13.929 1.00 28.51 C +ATOM 571 CE1 PHE A 76 112.211 24.368 15.991 1.00 28.71 C +ATOM 572 CE2 PHE A 76 111.959 26.603 15.058 1.00 28.51 C +ATOM 573 CZ PHE A 76 112.365 25.745 16.098 1.00 28.78 C +ATOM 574 N VAL A 77 111.650 21.062 11.854 1.00 28.50 N +ATOM 575 CA VAL A 77 112.186 19.789 12.315 1.00 30.42 C +ATOM 576 C VAL A 77 113.481 19.435 11.588 1.00 32.40 C +ATOM 577 O VAL A 77 114.568 19.026 12.080 1.00 32.08 O +ATOM 578 CB VAL A 77 111.050 18.747 12.284 1.00 30.45 C +ATOM 579 CG1 VAL A 77 111.716 17.369 12.212 1.00 30.35 C +ATOM 580 CG2 VAL A 77 110.029 18.854 13.405 1.00 29.73 C +ATOM 581 N LYS A 78 113.315 19.574 10.273 1.00 34.76 N +ATOM 582 CA LYS A 78 114.445 19.306 9.353 1.00 36.72 C +ATOM 583 C LYS A 78 115.587 20.274 9.602 1.00 36.47 C +ATOM 584 O LYS A 78 116.703 19.768 9.479 1.00 36.82 O +ATOM 585 CB LYS A 78 114.014 19.369 7.887 1.00 38.88 C +ATOM 586 CG LYS A 78 113.013 18.292 7.461 1.00 41.11 C +ATOM 587 CD LYS A 78 112.123 18.638 6.243 1.00 43.02 C +ATOM 588 CE LYS A 78 111.652 17.306 5.622 1.00 44.53 C +ATOM 589 NZ LYS A 78 110.213 17.258 5.191 1.00 45.37 N +ATOM 590 N ALA A 79 115.427 21.530 9.933 1.00 36.36 N +ATOM 591 CA ALA A 79 116.427 22.547 10.187 1.00 36.02 C +ATOM 592 C ALA A 79 117.343 22.119 11.315 1.00 36.54 C +ATOM 593 O ALA A 79 118.460 22.622 11.350 1.00 36.73 O +ATOM 594 CB ALA A 79 115.886 23.927 10.602 1.00 35.25 C +ATOM 595 N ASN A 80 116.870 21.280 12.195 1.00 37.67 N +ATOM 596 CA ASN A 80 117.624 20.823 13.386 1.00 38.42 C +ATOM 597 C ASN A 80 118.177 22.009 14.210 1.00 37.36 C +ATOM 598 O ASN A 80 119.387 22.059 14.443 1.00 36.77 O +ATOM 599 CB ASN A 80 118.736 19.840 12.994 1.00 40.50 C +ATOM 600 CG ASN A 80 119.144 19.125 14.303 1.00 42.28 C +ATOM 601 OD1 ASN A 80 118.386 18.254 14.811 1.00 43.33 O +ATOM 602 ND2 ASN A 80 120.299 19.562 14.824 1.00 42.90 N +ATOM 603 N ILE A 81 117.338 22.959 14.628 1.00 36.05 N +ATOM 604 CA ILE A 81 117.735 24.151 15.361 1.00 34.92 C +ATOM 605 C ILE A 81 117.932 23.895 16.854 1.00 34.45 C +ATOM 606 O ILE A 81 117.200 23.062 17.396 1.00 34.60 O +ATOM 607 CB ILE A 81 116.668 25.308 15.165 1.00 34.68 C +ATOM 608 CG1 ILE A 81 116.503 25.650 13.662 1.00 34.50 C +ATOM 609 CG2 ILE A 81 117.001 26.548 16.034 1.00 34.11 C +ATOM 610 CD1 ILE A 81 115.330 26.570 13.297 1.00 34.31 C +ATOM 611 N ASP A 82 118.885 24.579 17.448 1.00 33.77 N +ATOM 612 CA ASP A 82 119.119 24.432 18.897 1.00 33.58 C +ATOM 613 C ASP A 82 118.211 25.467 19.621 1.00 32.35 C +ATOM 614 O ASP A 82 118.545 26.658 19.529 1.00 31.84 O +ATOM 615 CB ASP A 82 120.572 24.611 19.283 1.00 34.79 C +ATOM 616 CG ASP A 82 120.721 24.569 20.817 1.00 35.88 C +ATOM 617 OD1 ASP A 82 119.858 23.932 21.464 1.00 36.53 O +ATOM 618 OD2 ASP A 82 121.739 25.175 21.216 1.00 36.09 O +ATOM 619 N VAL A 83 117.166 24.931 20.242 1.00 30.89 N +ATOM 620 CA VAL A 83 116.206 25.789 20.936 1.00 29.89 C +ATOM 621 C VAL A 83 116.834 26.755 21.940 1.00 29.48 C +ATOM 622 O VAL A 83 116.184 27.769 22.251 1.00 28.95 O +ATOM 623 CB VAL A 83 115.116 24.949 21.620 1.00 29.40 C +ATOM 624 CG1 VAL A 83 114.350 24.156 20.566 1.00 29.43 C +ATOM 625 CG2 VAL A 83 115.630 24.074 22.730 1.00 29.18 C +ATOM 626 N SER A 84 118.048 26.396 22.356 1.00 29.30 N +ATOM 627 CA SER A 84 118.768 27.210 23.357 1.00 29.02 C +ATOM 628 C SER A 84 119.162 28.532 22.701 1.00 28.35 C +ATOM 629 O SER A 84 119.201 29.528 23.435 1.00 27.91 O +ATOM 630 CB SER A 84 119.918 26.530 24.036 1.00 29.48 C +ATOM 631 OG SER A 84 119.640 25.334 24.746 1.00 29.79 O +ATOM 632 N ASP A 85 119.416 28.398 21.405 1.00 27.67 N +ATOM 633 CA ASP A 85 119.788 29.519 20.525 1.00 26.73 C +ATOM 634 C ASP A 85 118.501 30.125 19.939 1.00 25.63 C +ATOM 635 O ASP A 85 117.975 29.789 18.890 1.00 25.16 O +ATOM 636 CB ASP A 85 120.717 29.139 19.395 1.00 27.58 C +ATOM 637 CG ASP A 85 121.171 30.475 18.773 1.00 28.36 C +ATOM 638 OD1 ASP A 85 120.621 31.568 18.924 1.00 28.48 O +ATOM 639 OD2 ASP A 85 122.201 30.413 18.052 1.00 29.29 O +ATOM 640 N GLN A 86 118.012 31.035 20.769 1.00 24.45 N +ATOM 641 CA GLN A 86 116.725 31.688 20.529 1.00 22.98 C +ATOM 642 C GLN A 86 116.768 32.536 19.274 1.00 23.73 C +ATOM 643 O GLN A 86 115.791 32.631 18.535 1.00 23.77 O +ATOM 644 CB GLN A 86 116.282 32.432 21.801 1.00 20.60 C +ATOM 645 CG GLN A 86 114.912 33.079 21.755 1.00 19.04 C +ATOM 646 CD GLN A 86 113.772 32.091 21.717 1.00 17.99 C +ATOM 647 OE1 GLN A 86 113.772 31.081 22.386 1.00 17.54 O +ATOM 648 NE2 GLN A 86 112.709 32.222 20.939 1.00 17.70 N +ATOM 649 N LYS A 87 117.837 33.230 19.059 1.00 24.55 N +ATOM 650 CA LYS A 87 118.000 34.138 17.928 1.00 25.49 C +ATOM 651 C LYS A 87 117.912 33.305 16.654 1.00 24.73 C +ATOM 652 O LYS A 87 117.289 33.703 15.659 1.00 24.65 O +ATOM 653 CB LYS A 87 119.337 34.850 18.086 1.00 27.50 C +ATOM 654 CG LYS A 87 119.045 36.340 17.884 1.00 31.19 C +ATOM 655 CD LYS A 87 120.158 37.038 17.149 1.00 33.44 C +ATOM 656 CE LYS A 87 119.967 37.296 15.635 1.00 34.74 C +ATOM 657 NZ LYS A 87 121.348 37.727 15.100 1.00 36.72 N +ATOM 658 N ALA A 88 118.494 32.147 16.766 1.00 23.59 N +ATOM 659 CA ALA A 88 118.541 31.204 15.630 1.00 23.42 C +ATOM 660 C ALA A 88 117.138 30.722 15.335 1.00 23.39 C +ATOM 661 O ALA A 88 116.811 30.612 14.153 1.00 24.26 O +ATOM 662 CB ALA A 88 119.490 30.049 15.893 1.00 22.55 C +ATOM 663 N VAL A 89 116.365 30.461 16.388 1.00 22.29 N +ATOM 664 CA VAL A 89 114.993 30.021 16.253 1.00 20.11 C +ATOM 665 C VAL A 89 114.203 31.064 15.491 1.00 20.04 C +ATOM 666 O VAL A 89 113.487 30.811 14.521 1.00 19.98 O +ATOM 667 CB VAL A 89 114.404 29.699 17.678 1.00 19.05 C +ATOM 668 CG1 VAL A 89 112.877 29.579 17.521 1.00 19.21 C +ATOM 669 CG2 VAL A 89 114.780 28.425 18.350 1.00 17.31 C +ATOM 670 N ASP A 90 114.243 32.305 15.939 1.00 20.28 N +ATOM 671 CA ASP A 90 113.514 33.484 15.470 1.00 20.33 C +ATOM 672 C ASP A 90 113.880 33.889 14.043 1.00 21.52 C +ATOM 673 O ASP A 90 112.985 34.166 13.199 1.00 20.72 O +ATOM 674 CB ASP A 90 113.575 34.553 16.559 1.00 19.62 C +ATOM 675 CG ASP A 90 112.868 34.127 17.867 1.00 19.30 C +ATOM 676 OD1 ASP A 90 111.994 33.201 17.809 1.00 17.86 O +ATOM 677 OD2 ASP A 90 113.176 34.718 18.938 1.00 18.71 O +ATOM 678 N ASP A 91 115.204 33.881 13.842 1.00 22.56 N +ATOM 679 CA ASP A 91 115.803 34.205 12.509 1.00 23.52 C +ATOM 680 C ASP A 91 115.277 33.120 11.557 1.00 24.08 C +ATOM 681 O ASP A 91 114.902 33.472 10.443 1.00 24.71 O +ATOM 682 CB ASP A 91 117.320 34.161 12.479 1.00 23.56 C +ATOM 683 CG ASP A 91 117.951 35.362 13.150 1.00 23.95 C +ATOM 684 OD1 ASP A 91 117.240 36.372 13.245 1.00 23.95 O +ATOM 685 OD2 ASP A 91 119.141 35.331 13.547 1.00 24.91 O +ATOM 686 N PHE A 92 115.297 31.883 12.051 1.00 24.58 N +ATOM 687 CA PHE A 92 114.753 30.794 11.221 1.00 25.03 C +ATOM 688 C PHE A 92 113.331 31.138 10.757 1.00 25.18 C +ATOM 689 O PHE A 92 113.027 31.157 9.562 1.00 25.52 O +ATOM 690 CB PHE A 92 114.800 29.430 11.881 1.00 25.73 C +ATOM 691 CG PHE A 92 114.067 28.442 10.981 1.00 27.36 C +ATOM 692 CD1 PHE A 92 114.702 27.879 9.860 1.00 27.38 C +ATOM 693 CD2 PHE A 92 112.751 28.066 11.261 1.00 27.17 C +ATOM 694 CE1 PHE A 92 114.038 26.951 9.052 1.00 27.36 C +ATOM 695 CE2 PHE A 92 112.087 27.155 10.459 1.00 27.17 C +ATOM 696 CZ PHE A 92 112.722 26.605 9.355 1.00 27.18 C +ATOM 697 N LEU A 93 112.446 31.434 11.707 1.00 25.08 N +ATOM 698 CA LEU A 93 111.056 31.758 11.505 1.00 24.91 C +ATOM 699 C LEU A 93 110.795 32.965 10.616 1.00 24.90 C +ATOM 700 O LEU A 93 109.874 33.042 9.780 1.00 25.17 O +ATOM 701 CB LEU A 93 110.367 31.930 12.872 1.00 25.21 C +ATOM 702 CG LEU A 93 110.121 30.709 13.758 1.00 25.22 C +ATOM 703 CD1 LEU A 93 109.562 31.168 15.092 1.00 24.81 C +ATOM 704 CD2 LEU A 93 109.088 29.860 13.015 1.00 24.90 C +ATOM 705 N ILE A 94 111.539 34.001 10.836 1.00 25.04 N +ATOM 706 CA ILE A 94 111.405 35.243 10.055 1.00 25.44 C +ATOM 707 C ILE A 94 111.828 34.961 8.595 1.00 25.95 C +ATOM 708 O ILE A 94 111.210 35.473 7.643 1.00 25.89 O +ATOM 709 CB ILE A 94 112.330 36.268 10.812 1.00 25.16 C +ATOM 710 CG1 ILE A 94 111.718 36.578 12.201 1.00 25.12 C +ATOM 711 CG2 ILE A 94 112.686 37.561 10.057 1.00 24.72 C +ATOM 712 CD1 ILE A 94 112.733 37.525 12.969 1.00 25.04 C +ATOM 713 N SER A 95 112.897 34.166 8.455 1.00 26.11 N +ATOM 714 CA SER A 95 113.403 33.860 7.105 1.00 26.78 C +ATOM 715 C SER A 95 112.327 33.057 6.384 1.00 27.94 C +ATOM 716 O SER A 95 112.123 33.365 5.187 1.00 27.97 O +ATOM 717 CB SER A 95 114.750 33.213 7.144 1.00 26.14 C +ATOM 718 OG SER A 95 114.551 31.849 7.421 1.00 26.27 O +ATOM 719 N LEU A 96 111.624 32.154 7.060 1.00 28.65 N +ATOM 720 CA LEU A 96 110.542 31.342 6.508 1.00 28.80 C +ATOM 721 C LEU A 96 109.325 32.107 5.969 1.00 29.55 C +ATOM 722 O LEU A 96 108.618 31.715 4.993 1.00 29.58 O +ATOM 723 CB LEU A 96 109.992 30.416 7.626 1.00 29.27 C +ATOM 724 CG LEU A 96 109.739 29.019 7.119 1.00 30.12 C +ATOM 725 CD1 LEU A 96 111.155 28.414 6.943 1.00 30.55 C +ATOM 726 CD2 LEU A 96 108.901 28.105 7.983 1.00 29.76 C +ATOM 727 N ASP A 97 109.040 33.211 6.666 1.00 28.97 N +ATOM 728 CA ASP A 97 107.950 34.121 6.395 1.00 28.36 C +ATOM 729 C ASP A 97 108.237 35.132 5.273 1.00 28.60 C +ATOM 730 O ASP A 97 107.384 35.464 4.431 1.00 29.14 O +ATOM 731 CB ASP A 97 107.637 34.947 7.655 1.00 26.82 C +ATOM 732 CG ASP A 97 106.537 35.917 7.361 1.00 25.93 C +ATOM 733 OD1 ASP A 97 105.349 35.529 7.301 1.00 26.28 O +ATOM 734 OD2 ASP A 97 106.833 37.096 7.201 1.00 25.29 O +ATOM 735 N GLY A 98 109.405 35.712 5.353 1.00 28.55 N +ATOM 736 CA GLY A 98 109.938 36.678 4.433 1.00 28.94 C +ATOM 737 C GLY A 98 109.435 38.058 4.191 1.00 29.41 C +ATOM 738 O GLY A 98 109.928 38.768 3.272 1.00 28.71 O +ATOM 739 N THR A 99 108.470 38.491 4.984 1.00 29.96 N +ATOM 740 CA THR A 99 107.790 39.803 4.933 1.00 29.69 C +ATOM 741 C THR A 99 108.247 40.547 6.172 1.00 30.28 C +ATOM 742 O THR A 99 108.914 39.945 7.040 1.00 30.97 O +ATOM 743 CB THR A 99 106.219 39.630 4.866 1.00 29.38 C +ATOM 744 OG1 THR A 99 105.862 39.108 6.203 1.00 28.56 O +ATOM 745 CG2 THR A 99 105.787 38.643 3.773 1.00 28.89 C +ATOM 746 N ALA A 100 107.865 41.805 6.205 1.00 30.48 N +ATOM 747 CA ALA A 100 108.283 42.607 7.365 1.00 30.83 C +ATOM 748 C ALA A 100 107.260 42.616 8.510 1.00 31.24 C +ATOM 749 O ALA A 100 107.668 43.109 9.593 1.00 31.85 O +ATOM 750 CB ALA A 100 108.545 44.046 6.942 1.00 30.31 C +ATOM 751 N ASN A 101 106.053 42.142 8.241 1.00 30.80 N +ATOM 752 CA ASN A 101 105.057 42.185 9.326 1.00 29.89 C +ATOM 753 C ASN A 101 104.419 40.837 9.578 1.00 29.26 C +ATOM 754 O ASN A 101 103.266 40.778 10.032 1.00 29.09 O +ATOM 755 CB ASN A 101 104.064 43.252 8.992 1.00 30.67 C +ATOM 756 CG ASN A 101 103.305 43.097 7.689 1.00 30.92 C +ATOM 757 OD1 ASN A 101 102.628 44.117 7.430 1.00 31.27 O +ATOM 758 ND2 ASN A 101 103.323 42.022 6.923 1.00 30.78 N +ATOM 759 N LYS A 102 105.206 39.842 9.233 1.00 28.08 N +ATOM 760 CA LYS A 102 104.774 38.458 9.420 1.00 27.71 C +ATOM 761 C LYS A 102 103.418 38.210 8.789 1.00 28.14 C +ATOM 762 O LYS A 102 102.653 37.336 9.266 1.00 28.08 O +ATOM 763 CB LYS A 102 104.904 38.268 10.941 1.00 27.03 C +ATOM 764 CG LYS A 102 106.329 38.617 11.369 1.00 26.11 C +ATOM 765 CD LYS A 102 106.794 38.269 12.751 1.00 25.27 C +ATOM 766 CE LYS A 102 108.262 38.517 12.982 1.00 24.82 C +ATOM 767 NZ LYS A 102 108.737 39.869 13.333 1.00 23.86 N +ATOM 768 N SER A 103 103.137 38.916 7.683 1.00 28.20 N +ATOM 769 CA SER A 103 101.859 38.739 6.966 1.00 28.61 C +ATOM 770 C SER A 103 101.875 37.479 6.086 1.00 28.90 C +ATOM 771 O SER A 103 100.779 36.950 5.711 1.00 29.09 O +ATOM 772 CB SER A 103 101.408 39.959 6.228 1.00 28.72 C +ATOM 773 OG SER A 103 102.321 40.484 5.287 1.00 29.46 O +ATOM 774 N LYS A 104 103.078 36.966 5.770 1.00 28.25 N +ATOM 775 CA LYS A 104 103.003 35.744 4.957 1.00 28.01 C +ATOM 776 C LYS A 104 102.322 34.663 5.786 1.00 26.98 C +ATOM 777 O LYS A 104 101.194 34.280 5.529 1.00 26.17 O +ATOM 778 CB LYS A 104 104.315 35.373 4.274 1.00 29.49 C +ATOM 779 CG LYS A 104 104.218 33.862 3.954 1.00 30.86 C +ATOM 780 CD LYS A 104 104.428 33.479 2.528 1.00 32.53 C +ATOM 781 CE LYS A 104 103.853 32.088 2.293 1.00 34.08 C +ATOM 782 NZ LYS A 104 104.826 31.029 2.803 1.00 35.19 N +ATOM 783 N LEU A 105 102.994 34.141 6.812 1.00 26.78 N +ATOM 784 CA LEU A 105 102.638 33.113 7.781 1.00 25.57 C +ATOM 785 C LEU A 105 101.745 33.519 8.957 1.00 24.55 C +ATOM 786 O LEU A 105 101.052 32.634 9.506 1.00 25.36 O +ATOM 787 CB LEU A 105 103.911 32.484 8.405 1.00 25.61 C +ATOM 788 CG LEU A 105 104.926 31.813 7.513 1.00 25.35 C +ATOM 789 CD1 LEU A 105 106.165 31.430 8.286 1.00 25.14 C +ATOM 790 CD2 LEU A 105 104.268 30.604 6.840 1.00 25.06 C +ATOM 791 N GLY A 106 101.731 34.744 9.321 1.00 23.39 N +ATOM 792 CA GLY A 106 100.901 35.251 10.436 1.00 23.73 C +ATOM 793 C GLY A 106 101.744 35.236 11.728 1.00 23.17 C +ATOM 794 O GLY A 106 102.314 34.189 12.085 1.00 22.86 O +ATOM 795 N ALA A 107 101.833 36.415 12.303 1.00 23.01 N +ATOM 796 CA ALA A 107 102.539 36.692 13.590 1.00 23.49 C +ATOM 797 C ALA A 107 102.083 35.702 14.685 1.00 23.95 C +ATOM 798 O ALA A 107 102.898 35.304 15.535 1.00 23.47 O +ATOM 799 CB ALA A 107 102.360 38.133 14.077 1.00 22.10 C +ATOM 800 N ASN A 108 100.795 35.294 14.608 1.00 24.49 N +ATOM 801 CA ASN A 108 100.210 34.341 15.547 1.00 24.92 C +ATOM 802 C ASN A 108 100.804 32.944 15.343 1.00 24.76 C +ATOM 803 O ASN A 108 101.054 32.345 16.434 1.00 25.89 O +ATOM 804 CB ASN A 108 98.718 34.268 15.658 1.00 26.46 C +ATOM 805 CG ASN A 108 97.788 34.352 14.465 1.00 27.01 C +ATOM 806 OD1 ASN A 108 98.381 34.572 13.391 1.00 28.27 O +ATOM 807 ND2 ASN A 108 96.501 34.179 14.679 1.00 26.21 N +ATOM 808 N ALA A 109 101.038 32.536 14.110 1.00 22.85 N +ATOM 809 CA ALA A 109 101.662 31.226 13.861 1.00 20.62 C +ATOM 810 C ALA A 109 103.112 31.249 14.368 1.00 19.60 C +ATOM 811 O ALA A 109 103.537 30.298 15.050 1.00 19.57 O +ATOM 812 CB ALA A 109 101.669 30.950 12.372 1.00 20.10 C +ATOM 813 N ILE A 110 103.785 32.350 14.039 1.00 17.75 N +ATOM 814 CA ILE A 110 105.210 32.496 14.403 1.00 17.00 C +ATOM 815 C ILE A 110 105.614 32.657 15.860 1.00 17.16 C +ATOM 816 O ILE A 110 106.579 32.067 16.298 1.00 17.14 O +ATOM 817 CB ILE A 110 105.833 33.725 13.596 1.00 15.93 C +ATOM 818 CG1 ILE A 110 105.888 33.351 12.068 1.00 15.20 C +ATOM 819 CG2 ILE A 110 107.164 34.077 14.262 1.00 15.67 C +ATOM 820 CD1 ILE A 110 106.087 34.555 11.143 1.00 14.01 C +ATOM 821 N LEU A 111 104.916 33.513 16.591 1.00 17.46 N +ATOM 822 CA LEU A 111 105.097 33.777 17.988 1.00 17.93 C +ATOM 823 C LEU A 111 104.826 32.474 18.751 1.00 18.31 C +ATOM 824 O LEU A 111 105.643 32.125 19.661 1.00 19.31 O +ATOM 825 CB LEU A 111 104.229 34.952 18.493 1.00 17.62 C +ATOM 826 CG LEU A 111 104.596 35.234 19.989 1.00 17.47 C +ATOM 827 CD1 LEU A 111 106.016 35.706 20.170 1.00 16.49 C +ATOM 828 CD2 LEU A 111 103.608 36.267 20.536 1.00 16.78 C +ATOM 829 N GLY A 112 103.739 31.789 18.468 1.00 18.07 N +ATOM 830 CA GLY A 112 103.482 30.527 19.200 1.00 17.77 C +ATOM 831 C GLY A 112 104.723 29.657 19.178 1.00 18.96 C +ATOM 832 O GLY A 112 105.047 29.039 20.258 1.00 19.84 O +ATOM 833 N VAL A 113 105.429 29.517 18.011 1.00 18.19 N +ATOM 834 CA VAL A 113 106.610 28.637 17.934 1.00 17.01 C +ATOM 835 C VAL A 113 107.814 29.226 18.637 1.00 16.30 C +ATOM 836 O VAL A 113 108.625 28.517 19.248 1.00 16.82 O +ATOM 837 CB VAL A 113 107.026 28.165 16.493 1.00 16.92 C +ATOM 838 CG1 VAL A 113 108.150 27.164 16.649 1.00 15.86 C +ATOM 839 CG2 VAL A 113 105.790 27.637 15.742 1.00 16.25 C +ATOM 840 N SER A 114 107.983 30.498 18.499 1.00 15.97 N +ATOM 841 CA SER A 114 109.030 31.277 19.158 1.00 16.26 C +ATOM 842 C SER A 114 108.975 31.109 20.706 1.00 16.77 C +ATOM 843 O SER A 114 109.995 30.950 21.414 1.00 16.52 O +ATOM 844 CB SER A 114 108.675 32.699 18.791 1.00 16.17 C +ATOM 845 OG SER A 114 109.683 33.545 19.351 1.00 17.86 O +ATOM 846 N LEU A 115 107.781 31.171 21.304 1.00 16.82 N +ATOM 847 CA LEU A 115 107.648 31.072 22.775 1.00 17.74 C +ATOM 848 C LEU A 115 107.759 29.634 23.294 1.00 17.52 C +ATOM 849 O LEU A 115 108.317 29.428 24.395 1.00 19.17 O +ATOM 850 CB LEU A 115 106.384 31.872 23.175 1.00 17.41 C +ATOM 851 CG LEU A 115 106.119 33.340 23.021 1.00 17.32 C +ATOM 852 CD1 LEU A 115 104.755 33.753 23.620 1.00 17.32 C +ATOM 853 CD2 LEU A 115 107.181 34.181 23.712 1.00 17.00 C +ATOM 854 N ALA A 116 107.307 28.619 22.626 1.00 16.96 N +ATOM 855 CA ALA A 116 107.320 27.220 22.939 1.00 17.23 C +ATOM 856 C ALA A 116 108.761 26.755 23.013 1.00 18.14 C +ATOM 857 O ALA A 116 109.109 25.930 23.906 1.00 19.82 O +ATOM 858 CB ALA A 116 106.542 26.379 21.932 1.00 17.51 C +ATOM 859 N ALA A 117 109.604 27.275 22.144 1.00 18.01 N +ATOM 860 CA ALA A 117 111.014 26.971 22.079 1.00 17.77 C +ATOM 861 C ALA A 117 111.761 27.514 23.307 1.00 17.57 C +ATOM 862 O ALA A 117 112.688 26.837 23.739 1.00 16.61 O +ATOM 863 CB ALA A 117 111.533 27.570 20.770 1.00 17.95 C +ATOM 864 N SER A 118 111.447 28.678 23.876 1.00 17.60 N +ATOM 865 CA SER A 118 112.160 29.206 25.066 1.00 17.64 C +ATOM 866 C SER A 118 111.817 28.320 26.269 1.00 18.26 C +ATOM 867 O SER A 118 112.693 28.041 27.096 1.00 18.91 O +ATOM 868 CB SER A 118 111.891 30.683 25.241 1.00 17.59 C +ATOM 869 OG SER A 118 110.529 30.916 25.349 1.00 17.76 O +ATOM 870 N ARG A 119 110.587 27.782 26.319 1.00 18.38 N +ATOM 871 CA ARG A 119 110.073 26.854 27.320 1.00 18.23 C +ATOM 872 C ARG A 119 110.959 25.659 27.113 1.00 19.47 C +ATOM 873 O ARG A 119 111.624 25.337 28.100 1.00 20.58 O +ATOM 874 CB ARG A 119 108.588 26.440 27.290 1.00 17.30 C +ATOM 875 CG ARG A 119 107.810 27.677 27.733 1.00 17.14 C +ATOM 876 CD ARG A 119 106.342 27.468 27.872 1.00 18.49 C +ATOM 877 NE ARG A 119 105.821 28.478 28.807 1.00 19.16 N +ATOM 878 CZ ARG A 119 104.799 29.295 28.772 1.00 20.60 C +ATOM 879 NH1 ARG A 119 103.979 29.304 27.659 1.00 21.92 N +ATOM 880 NH2 ARG A 119 104.448 30.199 29.733 1.00 19.91 N +ATOM 881 N ALA A 120 110.974 25.087 25.897 1.00 20.07 N +ATOM 882 CA ALA A 120 111.862 23.929 25.626 1.00 19.94 C +ATOM 883 C ALA A 120 113.323 24.145 25.971 1.00 19.42 C +ATOM 884 O ALA A 120 113.972 23.216 26.444 1.00 18.82 O +ATOM 885 CB ALA A 120 111.702 23.466 24.168 1.00 20.59 C +ATOM 886 N ALA A 121 113.875 25.329 25.775 1.00 19.75 N +ATOM 887 CA ALA A 121 115.290 25.645 26.098 1.00 20.32 C +ATOM 888 C ALA A 121 115.556 25.656 27.605 1.00 20.80 C +ATOM 889 O ALA A 121 116.541 25.147 28.097 1.00 20.52 O +ATOM 890 CB ALA A 121 115.628 26.950 25.391 1.00 19.92 C +ATOM 891 N ALA A 122 114.625 26.181 28.392 1.00 22.00 N +ATOM 892 CA ALA A 122 114.676 26.263 29.846 1.00 22.62 C +ATOM 893 C ALA A 122 114.629 24.825 30.384 1.00 23.56 C +ATOM 894 O ALA A 122 115.446 24.572 31.301 1.00 23.10 O +ATOM 895 CB ALA A 122 113.565 27.131 30.423 1.00 22.27 C +ATOM 896 N ALA A 123 113.758 23.973 29.887 1.00 24.18 N +ATOM 897 CA ALA A 123 113.660 22.584 30.341 1.00 25.77 C +ATOM 898 C ALA A 123 114.992 21.854 30.254 1.00 27.86 C +ATOM 899 O ALA A 123 115.517 21.158 31.120 1.00 28.80 O +ATOM 900 CB ALA A 123 112.724 21.725 29.510 1.00 25.30 C +ATOM 901 N GLU A 124 115.555 21.992 29.091 1.00 30.07 N +ATOM 902 CA GLU A 124 116.805 21.456 28.606 1.00 31.80 C +ATOM 903 C GLU A 124 118.001 21.950 29.392 1.00 30.86 C +ATOM 904 O GLU A 124 118.929 21.190 29.637 1.00 30.77 O +ATOM 905 CB GLU A 124 117.065 21.955 27.155 1.00 34.18 C +ATOM 906 CG GLU A 124 118.456 21.431 26.754 1.00 37.28 C +ATOM 907 CD GLU A 124 118.610 21.436 25.256 1.00 39.04 C +ATOM 908 OE1 GLU A 124 117.421 21.289 24.850 1.00 40.86 O +ATOM 909 OE2 GLU A 124 119.676 21.538 24.675 1.00 39.83 O +ATOM 910 N LYS A 125 117.938 23.235 29.674 1.00 30.56 N +ATOM 911 CA LYS A 125 119.005 23.876 30.468 1.00 30.11 C +ATOM 912 C LYS A 125 118.653 23.499 31.918 1.00 29.75 C +ATOM 913 O LYS A 125 119.485 23.723 32.786 1.00 30.03 O +ATOM 914 CB LYS A 125 119.138 25.346 30.411 1.00 30.15 C +ATOM 915 CG LYS A 125 119.578 26.202 29.228 1.00 31.01 C +ATOM 916 CD LYS A 125 119.759 27.662 29.756 1.00 31.62 C +ATOM 917 CE LYS A 125 119.971 28.663 28.657 1.00 31.68 C +ATOM 918 NZ LYS A 125 120.202 30.077 28.999 1.00 30.96 N +ATOM 919 N ASN A 126 117.485 22.970 32.175 1.00 29.75 N +ATOM 920 CA ASN A 126 117.121 22.645 33.550 1.00 30.20 C +ATOM 921 C ASN A 126 117.115 23.853 34.500 1.00 29.39 C +ATOM 922 O ASN A 126 117.684 23.691 35.596 1.00 29.15 O +ATOM 923 CB ASN A 126 118.267 21.789 34.120 1.00 32.26 C +ATOM 924 CG ASN A 126 117.644 20.585 34.795 1.00 33.79 C +ATOM 925 OD1 ASN A 126 117.178 20.672 35.949 1.00 34.82 O +ATOM 926 ND2 ASN A 126 117.646 19.594 33.886 1.00 34.66 N +ATOM 927 N VAL A 127 116.575 24.959 34.095 1.00 28.39 N +ATOM 928 CA VAL A 127 116.423 26.211 34.829 1.00 27.22 C +ATOM 929 C VAL A 127 114.968 26.634 34.657 1.00 26.64 C +ATOM 930 O VAL A 127 114.306 26.162 33.728 1.00 27.02 O +ATOM 931 CB VAL A 127 117.349 27.309 34.306 1.00 27.48 C +ATOM 932 CG1 VAL A 127 118.748 26.735 34.364 1.00 27.77 C +ATOM 933 CG2 VAL A 127 117.101 27.893 32.913 1.00 26.75 C +ATOM 934 N PRO A 128 114.515 27.454 35.589 1.00 26.08 N +ATOM 935 CA PRO A 128 113.131 27.980 35.509 1.00 24.54 C +ATOM 936 C PRO A 128 113.128 28.935 34.299 1.00 23.12 C +ATOM 937 O PRO A 128 114.148 29.538 33.945 1.00 21.74 O +ATOM 938 CB PRO A 128 112.918 28.616 36.861 1.00 24.43 C +ATOM 939 CG PRO A 128 114.181 28.503 37.642 1.00 24.31 C +ATOM 940 CD PRO A 128 115.274 28.023 36.731 1.00 25.08 C +ATOM 941 N LEU A 129 111.962 29.093 33.689 1.00 22.34 N +ATOM 942 CA LEU A 129 111.845 29.970 32.501 1.00 21.33 C +ATOM 943 C LEU A 129 112.427 31.350 32.728 1.00 21.69 C +ATOM 944 O LEU A 129 113.251 31.775 31.894 1.00 22.49 O +ATOM 945 CB LEU A 129 110.402 29.892 31.980 1.00 19.88 C +ATOM 946 CG LEU A 129 110.093 30.773 30.765 1.00 19.33 C +ATOM 947 CD1 LEU A 129 110.834 30.268 29.534 1.00 17.95 C +ATOM 948 CD2 LEU A 129 108.592 30.937 30.627 1.00 18.19 C +ATOM 949 N TYR A 130 112.053 32.086 33.768 1.00 21.55 N +ATOM 950 CA TYR A 130 112.498 33.416 34.096 1.00 21.28 C +ATOM 951 C TYR A 130 114.013 33.505 34.089 1.00 21.47 C +ATOM 952 O TYR A 130 114.487 34.580 33.669 1.00 21.73 O +ATOM 953 CB TYR A 130 111.945 33.972 35.403 1.00 21.99 C +ATOM 954 CG TYR A 130 112.229 33.208 36.676 1.00 21.60 C +ATOM 955 CD1 TYR A 130 113.390 33.409 37.395 1.00 22.04 C +ATOM 956 CD2 TYR A 130 111.325 32.291 37.169 1.00 22.19 C +ATOM 957 CE1 TYR A 130 113.686 32.688 38.552 1.00 22.68 C +ATOM 958 CE2 TYR A 130 111.552 31.556 38.347 1.00 22.49 C +ATOM 959 CZ TYR A 130 112.735 31.788 39.023 1.00 22.87 C +ATOM 960 OH TYR A 130 112.994 31.059 40.135 1.00 23.94 O +ATOM 961 N LYS A 131 114.667 32.448 34.540 1.00 21.24 N +ATOM 962 CA LYS A 131 116.135 32.436 34.542 1.00 21.32 C +ATOM 963 C LYS A 131 116.763 32.312 33.164 1.00 20.34 C +ATOM 964 O LYS A 131 117.797 32.859 32.813 1.00 19.75 O +ATOM 965 CB LYS A 131 116.498 31.301 35.501 1.00 22.76 C +ATOM 966 CG LYS A 131 117.961 31.535 35.823 1.00 25.64 C +ATOM 967 CD LYS A 131 118.943 30.768 35.027 1.00 28.40 C +ATOM 968 CE LYS A 131 120.439 31.231 35.112 1.00 30.63 C +ATOM 969 NZ LYS A 131 121.161 30.199 34.176 1.00 32.21 N +ATOM 970 N HIS A 132 116.136 31.583 32.254 1.00 19.92 N +ATOM 971 CA HIS A 132 116.506 31.346 30.865 1.00 19.58 C +ATOM 972 C HIS A 132 116.366 32.645 30.100 1.00 19.18 C +ATOM 973 O HIS A 132 117.180 33.113 29.326 1.00 20.18 O +ATOM 974 CB HIS A 132 115.717 30.244 30.174 1.00 19.52 C +ATOM 975 CG HIS A 132 116.161 30.089 28.754 1.00 19.94 C +ATOM 976 ND1 HIS A 132 117.454 30.060 28.353 1.00 20.26 N +ATOM 977 CD2 HIS A 132 115.440 29.875 27.620 1.00 20.31 C +ATOM 978 CE1 HIS A 132 117.496 29.844 27.025 1.00 20.18 C +ATOM 979 NE2 HIS A 132 116.293 29.731 26.555 1.00 20.27 N +ATOM 980 N LEU A 133 115.305 33.341 30.303 1.00 19.32 N +ATOM 981 CA LEU A 133 114.897 34.656 29.801 1.00 19.31 C +ATOM 982 C LEU A 133 115.883 35.732 30.244 1.00 20.06 C +ATOM 983 O LEU A 133 116.162 36.707 29.496 1.00 19.89 O +ATOM 984 CB LEU A 133 113.423 34.780 30.258 1.00 19.15 C +ATOM 985 CG LEU A 133 112.365 34.726 29.175 1.00 18.92 C +ATOM 986 CD1 LEU A 133 112.716 33.851 27.993 1.00 18.05 C +ATOM 987 CD2 LEU A 133 110.987 34.452 29.750 1.00 18.29 C +ATOM 988 N ALA A 134 116.460 35.597 31.445 1.00 20.92 N +ATOM 989 CA ALA A 134 117.436 36.499 32.064 1.00 21.36 C +ATOM 990 C ALA A 134 118.721 36.227 31.282 1.00 22.12 C +ATOM 991 O ALA A 134 119.298 37.269 30.955 1.00 22.62 O +ATOM 992 CB ALA A 134 117.584 36.338 33.557 1.00 21.36 C +ATOM 993 N ASP A 135 119.089 35.003 31.018 1.00 22.54 N +ATOM 994 CA ASP A 135 120.223 34.609 30.192 1.00 23.93 C +ATOM 995 C ASP A 135 120.057 35.172 28.754 1.00 23.96 C +ATOM 996 O ASP A 135 120.950 35.869 28.255 1.00 24.19 O +ATOM 997 CB ASP A 135 120.406 33.088 30.054 1.00 25.32 C +ATOM 998 CG ASP A 135 120.799 32.336 31.309 1.00 26.27 C +ATOM 999 OD1 ASP A 135 121.344 33.000 32.224 1.00 27.43 O +ATOM 1000 OD2 ASP A 135 120.579 31.124 31.519 1.00 26.53 O +ATOM 1001 N LEU A 136 118.970 34.914 28.054 1.00 23.72 N +ATOM 1002 CA LEU A 136 118.801 35.471 26.690 1.00 23.91 C +ATOM 1003 C LEU A 136 118.966 37.001 26.626 1.00 24.71 C +ATOM 1004 O LEU A 136 119.504 37.540 25.627 1.00 25.04 O +ATOM 1005 CB LEU A 136 117.412 35.078 26.119 1.00 22.83 C +ATOM 1006 CG LEU A 136 117.075 33.617 25.932 1.00 22.09 C +ATOM 1007 CD1 LEU A 136 115.682 33.438 25.328 1.00 22.29 C +ATOM 1008 CD2 LEU A 136 118.113 33.002 24.994 1.00 21.77 C +ATOM 1009 N SER A 137 118.470 37.705 27.637 1.00 24.92 N +ATOM 1010 CA SER A 137 118.493 39.151 27.631 1.00 25.51 C +ATOM 1011 C SER A 137 119.684 39.712 28.363 1.00 27.14 C +ATOM 1012 O SER A 137 119.766 40.948 28.391 1.00 26.98 O +ATOM 1013 CB SER A 137 117.249 39.735 28.232 1.00 24.63 C +ATOM 1014 OG SER A 137 116.960 39.166 29.457 1.00 23.88 O +ATOM 1015 N LYS A 138 120.467 38.801 28.889 1.00 29.25 N +ATOM 1016 CA LYS A 138 121.641 39.322 29.627 1.00 31.80 C +ATOM 1017 C LYS A 138 121.265 40.348 30.710 1.00 32.42 C +ATOM 1018 O LYS A 138 121.820 41.446 30.842 1.00 31.70 O +ATOM 1019 CB LYS A 138 122.573 40.014 28.688 1.00 33.07 C +ATOM 1020 CG LYS A 138 123.294 39.094 27.715 1.00 35.55 C +ATOM 1021 CD LYS A 138 123.784 40.113 26.653 1.00 37.63 C +ATOM 1022 CE LYS A 138 124.815 39.508 25.712 1.00 39.09 C +ATOM 1023 NZ LYS A 138 125.537 40.670 25.047 1.00 40.54 N +ATOM 1024 N SER A 139 120.306 39.966 31.529 1.00 33.82 N +ATOM 1025 CA SER A 139 119.828 40.746 32.657 1.00 35.80 C +ATOM 1026 C SER A 139 120.650 40.386 33.888 1.00 37.41 C +ATOM 1027 O SER A 139 121.193 39.256 33.954 1.00 37.94 O +ATOM 1028 CB SER A 139 118.334 40.415 32.822 1.00 35.60 C +ATOM 1029 OG SER A 139 117.709 41.165 31.762 1.00 36.23 O +ATOM 1030 N LYS A 140 120.731 41.303 34.829 1.00 39.18 N +ATOM 1031 CA LYS A 140 121.437 41.033 36.125 1.00 40.95 C +ATOM 1032 C LYS A 140 120.630 39.922 36.802 1.00 41.24 C +ATOM 1033 O LYS A 140 119.401 39.804 36.574 1.00 41.64 O +ATOM 1034 CB LYS A 140 121.431 42.341 36.831 1.00 42.29 C +ATOM 1035 CG LYS A 140 122.460 42.697 37.896 1.00 44.26 C +ATOM 1036 CD LYS A 140 122.310 44.221 37.972 1.00 45.76 C +ATOM 1037 CE LYS A 140 123.248 44.902 38.957 1.00 46.87 C +ATOM 1038 NZ LYS A 140 123.042 46.386 38.736 1.00 47.63 N +ATOM 1039 N THR A 141 121.206 39.042 37.582 1.00 41.21 N +ATOM 1040 CA THR A 141 120.411 37.963 38.195 1.00 41.57 C +ATOM 1041 C THR A 141 120.630 37.968 39.696 1.00 40.76 C +ATOM 1042 O THR A 141 120.431 37.034 40.469 1.00 40.75 O +ATOM 1043 CB THR A 141 120.910 36.547 37.668 1.00 42.23 C +ATOM 1044 OG1 THR A 141 122.311 36.634 38.118 1.00 42.85 O +ATOM 1045 CG2 THR A 141 120.755 36.184 36.197 1.00 42.48 C +ATOM 1046 N SER A 142 121.128 39.113 40.147 1.00 40.33 N +ATOM 1047 CA SER A 142 121.410 39.126 41.597 1.00 39.16 C +ATOM 1048 C SER A 142 121.269 40.506 42.207 1.00 37.41 C +ATOM 1049 O SER A 142 122.148 41.383 42.115 1.00 37.83 O +ATOM 1050 CB SER A 142 122.727 38.418 41.866 1.00 40.27 C +ATOM 1051 OG SER A 142 123.818 39.029 41.202 1.00 41.49 O +ATOM 1052 N PRO A 143 120.084 40.626 42.800 1.00 35.11 N +ATOM 1053 CA PRO A 143 119.013 39.611 42.830 1.00 32.89 C +ATOM 1054 C PRO A 143 118.098 39.877 41.633 1.00 30.49 C +ATOM 1055 O PRO A 143 118.358 40.681 40.704 1.00 29.89 O +ATOM 1056 CB PRO A 143 118.432 39.948 44.195 1.00 33.71 C +ATOM 1057 CG PRO A 143 118.471 41.458 44.298 1.00 33.86 C +ATOM 1058 CD PRO A 143 119.690 41.880 43.473 1.00 34.56 C +ATOM 1059 N TYR A 144 116.973 39.196 41.607 1.00 28.05 N +ATOM 1060 CA TYR A 144 115.960 39.336 40.565 1.00 25.63 C +ATOM 1061 C TYR A 144 115.017 40.411 41.132 1.00 24.70 C +ATOM 1062 O TYR A 144 115.018 40.619 42.363 1.00 24.09 O +ATOM 1063 CB TYR A 144 115.204 38.060 40.265 1.00 25.86 C +ATOM 1064 CG TYR A 144 116.007 36.983 39.576 1.00 25.77 C +ATOM 1065 CD1 TYR A 144 116.853 36.158 40.287 1.00 25.64 C +ATOM 1066 CD2 TYR A 144 115.937 36.777 38.207 1.00 26.30 C +ATOM 1067 CE1 TYR A 144 117.604 35.183 39.670 1.00 25.96 C +ATOM 1068 CE2 TYR A 144 116.656 35.796 37.542 1.00 26.19 C +ATOM 1069 CZ TYR A 144 117.503 35.000 38.303 1.00 26.79 C +ATOM 1070 OH TYR A 144 118.288 34.025 37.694 1.00 27.80 O +ATOM 1071 N VAL A 145 114.305 41.040 40.197 1.00 23.06 N +ATOM 1072 CA VAL A 145 113.324 42.075 40.538 1.00 21.58 C +ATOM 1073 C VAL A 145 111.898 41.630 40.150 1.00 20.84 C +ATOM 1074 O VAL A 145 111.629 41.219 39.003 1.00 20.62 O +ATOM 1075 CB VAL A 145 113.652 43.455 39.925 1.00 21.11 C +ATOM 1076 CG1 VAL A 145 112.652 44.530 40.310 1.00 20.49 C +ATOM 1077 CG2 VAL A 145 115.098 43.806 40.284 1.00 21.00 C +ATOM 1078 N LEU A 146 111.048 41.778 41.152 1.00 18.97 N +ATOM 1079 CA LEU A 146 109.629 41.490 41.141 1.00 18.06 C +ATOM 1080 C LEU A 146 108.995 42.801 40.851 1.00 17.80 C +ATOM 1081 O LEU A 146 109.437 43.827 41.436 1.00 19.00 O +ATOM 1082 CB LEU A 146 109.355 40.688 42.434 1.00 18.60 C +ATOM 1083 CG LEU A 146 109.600 39.226 42.001 1.00 18.88 C +ATOM 1084 CD1 LEU A 146 110.380 38.406 42.937 1.00 19.49 C +ATOM 1085 CD2 LEU A 146 108.201 38.651 41.697 1.00 18.84 C +ATOM 1086 N PRO A 147 108.045 42.789 39.938 1.00 17.29 N +ATOM 1087 CA PRO A 147 107.429 44.062 39.538 1.00 16.60 C +ATOM 1088 C PRO A 147 106.263 44.588 40.320 1.00 16.71 C +ATOM 1089 O PRO A 147 105.518 43.828 40.977 1.00 17.33 O +ATOM 1090 CB PRO A 147 106.872 43.709 38.118 1.00 15.83 C +ATOM 1091 CG PRO A 147 106.338 42.326 38.363 1.00 15.59 C +ATOM 1092 CD PRO A 147 107.501 41.656 39.141 1.00 16.01 C +ATOM 1093 N VAL A 148 106.163 45.924 40.151 1.00 16.22 N +ATOM 1094 CA VAL A 148 104.996 46.597 40.710 1.00 15.27 C +ATOM 1095 C VAL A 148 103.936 46.261 39.625 1.00 16.11 C +ATOM 1096 O VAL A 148 104.212 46.615 38.443 1.00 16.99 O +ATOM 1097 CB VAL A 148 105.129 48.140 40.785 1.00 14.27 C +ATOM 1098 CG1 VAL A 148 103.774 48.813 41.056 1.00 13.58 C +ATOM 1099 CG2 VAL A 148 106.217 48.571 41.717 1.00 13.34 C +ATOM 1100 N PRO A 149 102.837 45.642 40.009 1.00 16.12 N +ATOM 1101 CA PRO A 149 101.746 45.391 39.052 1.00 15.26 C +ATOM 1102 C PRO A 149 100.907 46.649 38.934 1.00 15.78 C +ATOM 1103 O PRO A 149 100.541 47.322 39.940 1.00 16.78 O +ATOM 1104 CB PRO A 149 100.919 44.352 39.821 1.00 15.49 C +ATOM 1105 CG PRO A 149 101.178 44.547 41.329 1.00 15.01 C +ATOM 1106 CD PRO A 149 102.525 45.217 41.411 1.00 15.09 C +ATOM 1107 N PHE A 150 100.489 47.087 37.792 1.00 16.02 N +ATOM 1108 CA PHE A 150 99.642 48.208 37.423 1.00 15.63 C +ATOM 1109 C PHE A 150 98.311 47.497 37.128 1.00 16.68 C +ATOM 1110 O PHE A 150 98.099 46.856 36.093 1.00 16.59 O +ATOM 1111 CB PHE A 150 100.160 49.059 36.281 1.00 15.08 C +ATOM 1112 CG PHE A 150 101.236 50.022 36.684 1.00 14.63 C +ATOM 1113 CD1 PHE A 150 102.490 49.535 36.983 1.00 14.29 C +ATOM 1114 CD2 PHE A 150 100.998 51.418 36.721 1.00 14.10 C +ATOM 1115 CE1 PHE A 150 103.539 50.389 37.411 1.00 14.76 C +ATOM 1116 CE2 PHE A 150 102.005 52.265 37.114 1.00 13.95 C +ATOM 1117 CZ PHE A 150 103.258 51.749 37.470 1.00 13.86 C +ATOM 1118 N LEU A 151 97.459 47.613 38.134 1.00 18.23 N +ATOM 1119 CA LEU A 151 96.148 46.962 38.113 1.00 19.77 C +ATOM 1120 C LEU A 151 95.058 47.895 37.623 1.00 21.16 C +ATOM 1121 O LEU A 151 94.814 48.981 38.143 1.00 22.31 O +ATOM 1122 CB LEU A 151 95.784 46.266 39.486 1.00 18.24 C +ATOM 1123 CG LEU A 151 96.917 45.453 40.086 1.00 18.15 C +ATOM 1124 CD1 LEU A 151 96.907 45.632 41.592 1.00 18.28 C +ATOM 1125 CD2 LEU A 151 96.878 43.978 39.748 1.00 17.57 C +ATOM 1126 N ASN A 152 94.418 47.422 36.588 1.00 22.87 N +ATOM 1127 CA ASN A 152 93.263 48.082 35.976 1.00 24.29 C +ATOM 1128 C ASN A 152 92.118 47.876 36.972 1.00 23.98 C +ATOM 1129 O ASN A 152 91.790 46.739 37.413 1.00 24.57 O +ATOM 1130 CB ASN A 152 93.079 47.446 34.595 1.00 26.62 C +ATOM 1131 CG ASN A 152 92.040 48.269 33.846 1.00 28.71 C +ATOM 1132 OD1 ASN A 152 90.883 47.817 34.036 1.00 31.43 O +ATOM 1133 ND2 ASN A 152 92.372 49.310 33.135 1.00 29.00 N +ATOM 1134 N VAL A 153 91.489 48.961 37.345 1.00 23.15 N +ATOM 1135 CA VAL A 153 90.377 48.944 38.300 1.00 22.76 C +ATOM 1136 C VAL A 153 89.178 49.551 37.618 1.00 23.87 C +ATOM 1137 O VAL A 153 88.024 49.110 37.867 1.00 23.58 O +ATOM 1138 CB VAL A 153 90.781 49.613 39.646 1.00 22.09 C +ATOM 1139 CG1 VAL A 153 91.867 48.881 40.429 1.00 21.19 C +ATOM 1140 CG2 VAL A 153 91.208 51.046 39.474 1.00 21.00 C +ATOM 1141 N LEU A 154 89.453 50.523 36.720 1.00 25.02 N +ATOM 1142 CA LEU A 154 88.296 51.212 36.049 1.00 26.01 C +ATOM 1143 C LEU A 154 88.628 51.635 34.625 1.00 26.24 C +ATOM 1144 O LEU A 154 89.730 52.079 34.326 1.00 26.11 O +ATOM 1145 CB LEU A 154 87.966 52.377 36.987 1.00 26.29 C +ATOM 1146 CG LEU A 154 87.105 53.579 36.998 1.00 26.53 C +ATOM 1147 CD1 LEU A 154 86.750 54.165 35.638 1.00 26.66 C +ATOM 1148 CD2 LEU A 154 85.817 53.303 37.738 1.00 27.57 C +ATOM 1149 N ASN A 155 87.641 51.508 33.791 1.00 27.38 N +ATOM 1150 CA ASN A 155 87.719 51.857 32.352 1.00 28.64 C +ATOM 1151 C ASN A 155 86.696 52.896 31.915 1.00 29.26 C +ATOM 1152 O ASN A 155 85.555 52.986 32.402 1.00 28.78 O +ATOM 1153 CB ASN A 155 87.362 50.608 31.547 1.00 28.77 C +ATOM 1154 CG ASN A 155 88.057 49.374 32.086 1.00 29.41 C +ATOM 1155 OD1 ASN A 155 87.334 48.388 32.329 1.00 29.95 O +ATOM 1156 ND2 ASN A 155 89.390 49.483 32.192 1.00 29.63 N +ATOM 1157 N GLY A 156 87.117 53.624 30.919 1.00 30.67 N +ATOM 1158 CA GLY A 156 86.232 54.655 30.296 1.00 32.76 C +ATOM 1159 C GLY A 156 86.588 54.437 28.804 1.00 34.32 C +ATOM 1160 O GLY A 156 87.007 53.385 28.316 1.00 34.08 O +ATOM 1161 N GLY A 157 86.446 55.557 28.149 1.00 36.42 N +ATOM 1162 CA GLY A 157 86.763 55.607 26.718 1.00 39.63 C +ATOM 1163 C GLY A 157 85.778 54.764 25.909 1.00 41.71 C +ATOM 1164 O GLY A 157 84.555 54.775 26.148 1.00 41.48 O +ATOM 1165 N SER A 158 86.437 54.083 24.990 1.00 44.06 N +ATOM 1166 CA SER A 158 85.742 53.178 24.042 1.00 46.68 C +ATOM 1167 C SER A 158 85.206 51.953 24.769 1.00 48.04 C +ATOM 1168 O SER A 158 84.610 51.016 24.196 1.00 48.90 O +ATOM 1169 CB SER A 158 86.686 52.875 22.865 1.00 46.69 C +ATOM 1170 OG SER A 158 86.759 54.125 22.151 1.00 47.44 O +ATOM 1171 N HIS A 159 85.443 51.977 26.087 1.00 49.15 N +ATOM 1172 CA HIS A 159 84.994 50.898 26.984 1.00 49.36 C +ATOM 1173 C HIS A 159 83.793 51.255 27.841 1.00 48.32 C +ATOM 1174 O HIS A 159 83.613 50.522 28.836 1.00 48.23 O +ATOM 1175 CB HIS A 159 86.171 50.488 27.939 1.00 50.82 C +ATOM 1176 CG HIS A 159 87.274 50.057 27.016 1.00 52.31 C +ATOM 1177 ND1 HIS A 159 88.598 50.306 27.186 1.00 53.23 N +ATOM 1178 CD2 HIS A 159 87.138 49.360 25.847 1.00 52.86 C +ATOM 1179 CE1 HIS A 159 89.241 49.725 26.163 1.00 53.46 C +ATOM 1180 NE2 HIS A 159 88.383 49.148 25.331 1.00 53.32 N +ATOM 1181 N ALA A 160 83.027 52.285 27.519 1.00 46.83 N +ATOM 1182 CA ALA A 160 81.944 52.485 28.498 1.00 45.99 C +ATOM 1183 C ALA A 160 81.038 53.590 28.018 1.00 45.17 C +ATOM 1184 O ALA A 160 81.388 54.238 27.027 1.00 45.45 O +ATOM 1185 CB ALA A 160 82.675 52.943 29.771 1.00 46.08 C +ATOM 1186 N GLY A 161 79.978 53.666 28.789 1.00 43.74 N +ATOM 1187 CA GLY A 161 78.988 54.732 28.474 1.00 42.25 C +ATOM 1188 C GLY A 161 79.574 55.913 29.274 1.00 40.79 C +ATOM 1189 O GLY A 161 80.718 55.786 29.741 1.00 40.98 O +ATOM 1190 N GLY A 162 78.764 56.935 29.374 1.00 39.30 N +ATOM 1191 CA GLY A 162 79.287 58.093 30.166 1.00 38.10 C +ATOM 1192 C GLY A 162 80.144 58.814 29.127 1.00 36.77 C +ATOM 1193 O GLY A 162 80.426 58.224 28.088 1.00 37.43 O +ATOM 1194 N ALA A 163 80.474 60.023 29.465 1.00 35.44 N +ATOM 1195 CA ALA A 163 81.265 60.882 28.617 1.00 34.32 C +ATOM 1196 C ALA A 163 82.748 60.754 28.858 1.00 33.67 C +ATOM 1197 O ALA A 163 83.470 61.509 28.161 1.00 35.10 O +ATOM 1198 CB ALA A 163 80.828 62.333 28.926 1.00 34.04 C +ATOM 1199 N LEU A 164 83.226 59.945 29.766 1.00 32.10 N +ATOM 1200 CA LEU A 164 84.649 59.836 30.089 1.00 30.35 C +ATOM 1201 C LEU A 164 85.491 59.325 28.943 1.00 29.83 C +ATOM 1202 O LEU A 164 85.378 58.144 28.559 1.00 30.19 O +ATOM 1203 CB LEU A 164 84.809 59.019 31.366 1.00 29.55 C +ATOM 1204 CG LEU A 164 86.254 58.760 31.764 1.00 29.38 C +ATOM 1205 CD1 LEU A 164 87.039 60.005 32.132 1.00 28.58 C +ATOM 1206 CD2 LEU A 164 86.133 57.730 32.876 1.00 29.36 C +ATOM 1207 N ALA A 165 86.346 60.227 28.494 1.00 29.35 N +ATOM 1208 CA ALA A 165 87.264 59.929 27.379 1.00 28.70 C +ATOM 1209 C ALA A 165 88.501 59.111 27.701 1.00 28.76 C +ATOM 1210 O ALA A 165 88.904 58.325 26.797 1.00 29.02 O +ATOM 1211 CB ALA A 165 87.626 61.289 26.765 1.00 28.32 C +ATOM 1212 N LEU A 166 89.173 59.221 28.852 1.00 28.24 N +ATOM 1213 CA LEU A 166 90.417 58.496 29.191 1.00 27.36 C +ATOM 1214 C LEU A 166 90.093 57.035 29.289 1.00 27.06 C +ATOM 1215 O LEU A 166 89.064 56.766 29.903 1.00 28.32 O +ATOM 1216 CB LEU A 166 91.116 59.151 30.368 1.00 27.28 C +ATOM 1217 CG LEU A 166 91.305 60.648 30.273 1.00 27.66 C +ATOM 1218 CD1 LEU A 166 92.242 61.228 31.346 1.00 27.34 C +ATOM 1219 CD2 LEU A 166 91.811 61.022 28.875 1.00 27.59 C +ATOM 1220 N GLN A 167 90.850 56.135 28.765 1.00 26.42 N +ATOM 1221 CA GLN A 167 90.554 54.732 28.722 1.00 25.88 C +ATOM 1222 C GLN A 167 90.798 53.903 29.949 1.00 25.55 C +ATOM 1223 O GLN A 167 89.826 53.131 30.216 1.00 25.74 O +ATOM 1224 CB GLN A 167 91.188 54.115 27.449 1.00 26.18 C +ATOM 1225 CG GLN A 167 90.712 52.710 27.151 1.00 26.61 C +ATOM 1226 CD GLN A 167 91.320 52.163 25.902 1.00 27.19 C +ATOM 1227 OE1 GLN A 167 90.860 52.392 24.774 1.00 28.49 O +ATOM 1228 NE2 GLN A 167 92.388 51.381 25.937 1.00 27.05 N +ATOM 1229 N GLU A 168 91.916 53.911 30.618 1.00 24.88 N +ATOM 1230 CA GLU A 168 92.149 53.066 31.781 1.00 24.05 C +ATOM 1231 C GLU A 168 92.774 53.856 32.925 1.00 22.58 C +ATOM 1232 O GLU A 168 93.691 54.680 32.825 1.00 22.08 O +ATOM 1233 CB GLU A 168 93.174 51.958 31.515 1.00 26.06 C +ATOM 1234 CG GLU A 168 93.158 51.278 30.193 1.00 28.98 C +ATOM 1235 CD GLU A 168 94.153 50.278 29.745 1.00 30.89 C +ATOM 1236 OE1 GLU A 168 95.165 50.204 30.452 1.00 32.58 O +ATOM 1237 OE2 GLU A 168 94.125 49.456 28.815 1.00 32.62 O +ATOM 1238 N PHE A 169 92.283 53.483 34.081 1.00 20.90 N +ATOM 1239 CA PHE A 169 92.655 54.027 35.403 1.00 18.42 C +ATOM 1240 C PHE A 169 93.298 52.834 36.096 1.00 18.67 C +ATOM 1241 O PHE A 169 92.451 51.929 36.269 1.00 18.53 O +ATOM 1242 CB PHE A 169 91.408 54.528 36.079 1.00 17.16 C +ATOM 1243 CG PHE A 169 90.951 55.787 35.371 1.00 16.89 C +ATOM 1244 CD1 PHE A 169 91.504 57.005 35.712 1.00 16.46 C +ATOM 1245 CD2 PHE A 169 90.044 55.715 34.309 1.00 16.81 C +ATOM 1246 CE1 PHE A 169 91.118 58.178 35.043 1.00 17.02 C +ATOM 1247 CE2 PHE A 169 89.667 56.887 33.637 1.00 16.98 C +ATOM 1248 CZ PHE A 169 90.187 58.147 33.995 1.00 16.59 C +ATOM 1249 N MET A 170 94.587 52.880 36.390 1.00 17.65 N +ATOM 1250 CA MET A 170 95.238 51.752 37.056 1.00 18.02 C +ATOM 1251 C MET A 170 95.734 52.077 38.462 1.00 18.55 C +ATOM 1252 O MET A 170 96.085 53.264 38.611 1.00 18.98 O +ATOM 1253 CB MET A 170 96.478 51.381 36.232 1.00 17.83 C +ATOM 1254 CG MET A 170 96.075 50.587 34.991 1.00 18.31 C +ATOM 1255 SD MET A 170 97.539 50.611 33.937 1.00 20.05 S +ATOM 1256 CE MET A 170 97.426 52.139 33.072 1.00 18.82 C +ATOM 1257 N ILE A 171 95.836 51.153 39.408 1.00 18.45 N +ATOM 1258 CA ILE A 171 96.429 51.479 40.737 1.00 18.23 C +ATOM 1259 C ILE A 171 97.749 50.682 40.764 1.00 18.58 C +ATOM 1260 O ILE A 171 97.858 49.621 40.163 1.00 18.32 O +ATOM 1261 CB ILE A 171 95.551 51.209 41.997 1.00 17.39 C +ATOM 1262 CG1 ILE A 171 95.293 49.667 41.918 1.00 18.22 C +ATOM 1263 CG2 ILE A 171 94.329 52.076 42.056 1.00 16.01 C +ATOM 1264 CD1 ILE A 171 94.746 48.950 43.159 1.00 17.81 C +ATOM 1265 N ALA A 172 98.719 51.262 41.425 1.00 19.31 N +ATOM 1266 CA ALA A 172 100.058 50.682 41.538 1.00 20.41 C +ATOM 1267 C ALA A 172 100.546 50.707 42.984 1.00 21.04 C +ATOM 1268 O ALA A 172 100.931 51.794 43.442 1.00 21.90 O +ATOM 1269 CB ALA A 172 100.964 51.525 40.625 1.00 19.56 C +ATOM 1270 N PRO A 173 100.532 49.589 43.696 1.00 21.58 N +ATOM 1271 CA PRO A 173 100.988 49.538 45.107 1.00 21.64 C +ATOM 1272 C PRO A 173 102.491 49.738 45.242 1.00 21.78 C +ATOM 1273 O PRO A 173 103.183 48.768 45.580 1.00 21.35 O +ATOM 1274 CB PRO A 173 100.599 48.120 45.526 1.00 21.56 C +ATOM 1275 CG PRO A 173 99.547 47.656 44.518 1.00 21.62 C +ATOM 1276 CD PRO A 173 100.079 48.256 43.209 1.00 21.36 C +ATOM 1277 N THR A 174 103.043 50.911 44.971 1.00 22.22 N +ATOM 1278 CA THR A 174 104.506 51.120 45.038 1.00 22.59 C +ATOM 1279 C THR A 174 105.067 51.024 46.419 1.00 22.46 C +ATOM 1280 O THR A 174 106.207 50.666 46.683 1.00 22.58 O +ATOM 1281 CB THR A 174 104.834 52.491 44.321 1.00 23.56 C +ATOM 1282 OG1 THR A 174 104.022 53.440 45.081 1.00 24.41 O +ATOM 1283 CG2 THR A 174 104.508 52.571 42.809 1.00 23.65 C +ATOM 1284 N GLY A 175 104.302 51.351 47.439 1.00 23.45 N +ATOM 1285 CA GLY A 175 104.610 51.311 48.842 1.00 23.54 C +ATOM 1286 C GLY A 175 104.685 49.959 49.511 1.00 23.62 C +ATOM 1287 O GLY A 175 105.035 49.983 50.712 1.00 25.09 O +ATOM 1288 N ALA A 176 104.387 48.838 48.919 1.00 23.27 N +ATOM 1289 CA ALA A 176 104.448 47.511 49.483 1.00 22.95 C +ATOM 1290 C ALA A 176 105.948 47.169 49.508 1.00 23.21 C +ATOM 1291 O ALA A 176 106.731 47.802 48.784 1.00 22.95 O +ATOM 1292 CB ALA A 176 103.733 46.436 48.697 1.00 22.92 C +ATOM 1293 N LYS A 177 106.241 46.176 50.322 1.00 23.26 N +ATOM 1294 CA LYS A 177 107.630 45.711 50.435 1.00 23.12 C +ATOM 1295 C LYS A 177 107.720 44.337 49.769 1.00 21.82 C +ATOM 1296 O LYS A 177 108.860 43.824 49.659 1.00 22.95 O +ATOM 1297 CB LYS A 177 108.054 45.592 51.870 1.00 24.82 C +ATOM 1298 CG LYS A 177 107.471 46.774 52.703 1.00 27.72 C +ATOM 1299 CD LYS A 177 107.911 48.050 51.995 1.00 29.92 C +ATOM 1300 CE LYS A 177 108.725 48.939 52.962 1.00 31.19 C +ATOM 1301 NZ LYS A 177 109.771 49.591 52.069 1.00 32.77 N +ATOM 1302 N THR A 178 106.646 43.704 49.365 1.00 19.41 N +ATOM 1303 CA THR A 178 106.838 42.392 48.720 1.00 17.79 C +ATOM 1304 C THR A 178 105.805 42.393 47.622 1.00 17.07 C +ATOM 1305 O THR A 178 104.916 43.251 47.650 1.00 16.64 O +ATOM 1306 CB THR A 178 106.725 41.204 49.732 1.00 17.70 C +ATOM 1307 OG1 THR A 178 105.303 41.151 50.085 1.00 18.30 O +ATOM 1308 CG2 THR A 178 107.601 41.365 50.949 1.00 17.09 C +ATOM 1309 N PHE A 179 105.988 41.445 46.736 1.00 16.82 N +ATOM 1310 CA PHE A 179 105.013 41.323 45.609 1.00 16.50 C +ATOM 1311 C PHE A 179 103.750 40.795 46.259 1.00 16.38 C +ATOM 1312 O PHE A 179 102.606 41.224 45.958 1.00 16.04 O +ATOM 1313 CB PHE A 179 105.583 40.493 44.432 1.00 16.37 C +ATOM 1314 CG PHE A 179 104.511 40.353 43.392 1.00 16.73 C +ATOM 1315 CD1 PHE A 179 103.587 39.315 43.495 1.00 15.97 C +ATOM 1316 CD2 PHE A 179 104.403 41.332 42.377 1.00 16.73 C +ATOM 1317 CE1 PHE A 179 102.570 39.221 42.571 1.00 15.92 C +ATOM 1318 CE2 PHE A 179 103.368 41.207 41.464 1.00 16.14 C +ATOM 1319 CZ PHE A 179 102.472 40.157 41.540 1.00 15.96 C +ATOM 1320 N ALA A 180 103.902 39.817 47.127 1.00 16.51 N +ATOM 1321 CA ALA A 180 102.703 39.237 47.826 1.00 17.29 C +ATOM 1322 C ALA A 180 101.901 40.318 48.551 1.00 18.07 C +ATOM 1323 O ALA A 180 100.621 40.458 48.506 1.00 19.44 O +ATOM 1324 CB ALA A 180 103.273 38.184 48.778 1.00 17.06 C +ATOM 1325 N GLU A 181 102.639 41.198 49.242 1.00 17.98 N +ATOM 1326 CA GLU A 181 102.030 42.337 49.938 1.00 17.98 C +ATOM 1327 C GLU A 181 101.350 43.307 48.972 1.00 17.23 C +ATOM 1328 O GLU A 181 100.194 43.738 49.212 1.00 16.94 O +ATOM 1329 CB GLU A 181 103.048 43.097 50.810 1.00 18.51 C +ATOM 1330 CG GLU A 181 102.318 44.322 51.410 1.00 20.62 C +ATOM 1331 CD GLU A 181 103.174 45.284 52.187 1.00 22.17 C +ATOM 1332 OE1 GLU A 181 104.412 45.080 52.253 1.00 22.61 O +ATOM 1333 OE2 GLU A 181 102.695 46.270 52.720 1.00 23.46 O +ATOM 1334 N ALA A 182 101.972 43.732 47.875 1.00 17.27 N +ATOM 1335 CA ALA A 182 101.400 44.636 46.830 1.00 17.04 C +ATOM 1336 C ALA A 182 100.138 44.049 46.205 1.00 16.41 C +ATOM 1337 O ALA A 182 99.165 44.754 46.012 1.00 16.68 O +ATOM 1338 CB ALA A 182 102.371 44.907 45.644 1.00 17.60 C +ATOM 1339 N LEU A 183 100.105 42.777 45.904 1.00 16.71 N +ATOM 1340 CA LEU A 183 98.964 42.057 45.341 1.00 17.43 C +ATOM 1341 C LEU A 183 97.802 41.998 46.320 1.00 17.90 C +ATOM 1342 O LEU A 183 96.620 42.219 45.944 1.00 18.36 O +ATOM 1343 CB LEU A 183 99.535 40.721 44.802 1.00 17.79 C +ATOM 1344 CG LEU A 183 98.362 39.952 44.218 1.00 19.07 C +ATOM 1345 CD1 LEU A 183 97.670 40.785 43.131 1.00 18.58 C +ATOM 1346 CD2 LEU A 183 98.795 38.633 43.611 1.00 19.27 C +ATOM 1347 N ARG A 184 98.077 41.784 47.629 1.00 18.11 N +ATOM 1348 CA ARG A 184 97.009 41.789 48.664 1.00 17.37 C +ATOM 1349 C ARG A 184 96.403 43.177 48.794 1.00 16.62 C +ATOM 1350 O ARG A 184 95.175 43.390 48.753 1.00 16.76 O +ATOM 1351 CB ARG A 184 97.539 41.261 50.003 1.00 17.73 C +ATOM 1352 CG ARG A 184 96.765 41.866 51.159 1.00 18.26 C +ATOM 1353 CD ARG A 184 97.058 41.347 52.548 1.00 17.76 C +ATOM 1354 NE ARG A 184 96.916 42.702 53.280 1.00 19.82 N +ATOM 1355 CZ ARG A 184 98.136 43.093 53.647 1.00 18.93 C +ATOM 1356 NH1 ARG A 184 99.058 42.189 53.382 1.00 20.22 N +ATOM 1357 NH2 ARG A 184 98.354 44.217 54.178 1.00 19.92 N +ATOM 1358 N ILE A 185 97.149 44.230 48.902 1.00 16.48 N +ATOM 1359 CA ILE A 185 96.758 45.634 49.004 1.00 17.17 C +ATOM 1360 C ILE A 185 95.907 46.007 47.787 1.00 17.79 C +ATOM 1361 O ILE A 185 94.830 46.655 47.892 1.00 17.97 O +ATOM 1362 CB ILE A 185 98.034 46.539 49.073 1.00 17.28 C +ATOM 1363 CG1 ILE A 185 98.755 46.427 50.450 1.00 17.83 C +ATOM 1364 CG2 ILE A 185 97.871 48.041 48.803 1.00 16.90 C +ATOM 1365 CD1 ILE A 185 100.146 47.196 50.217 1.00 17.82 C +ATOM 1366 N GLY A 186 96.465 45.665 46.612 1.00 18.09 N +ATOM 1367 CA GLY A 186 95.793 45.926 45.324 1.00 17.82 C +ATOM 1368 C GLY A 186 94.441 45.287 45.277 1.00 17.89 C +ATOM 1369 O GLY A 186 93.470 45.911 44.820 1.00 19.01 O +ATOM 1370 N SER A 187 94.265 44.066 45.722 1.00 18.73 N +ATOM 1371 CA SER A 187 92.938 43.397 45.732 1.00 19.20 C +ATOM 1372 C SER A 187 91.968 44.066 46.673 1.00 19.51 C +ATOM 1373 O SER A 187 90.756 44.209 46.338 1.00 20.29 O +ATOM 1374 CB SER A 187 93.145 41.933 46.101 1.00 20.55 C +ATOM 1375 OG SER A 187 93.419 41.663 47.472 1.00 20.65 O +ATOM 1376 N GLU A 188 92.410 44.533 47.848 1.00 19.44 N +ATOM 1377 CA GLU A 188 91.550 45.220 48.857 1.00 18.47 C +ATOM 1378 C GLU A 188 91.054 46.528 48.308 1.00 17.49 C +ATOM 1379 O GLU A 188 89.868 46.830 48.449 1.00 17.92 O +ATOM 1380 CB GLU A 188 92.272 45.428 50.199 1.00 18.81 C +ATOM 1381 CG GLU A 188 92.711 44.156 50.988 1.00 19.88 C +ATOM 1382 CD GLU A 188 93.741 44.446 52.039 1.00 20.64 C +ATOM 1383 OE1 GLU A 188 94.036 45.595 52.324 1.00 21.75 O +ATOM 1384 OE2 GLU A 188 94.347 43.553 52.638 1.00 21.32 O +ATOM 1385 N VAL A 189 91.878 47.309 47.639 1.00 16.72 N +ATOM 1386 CA VAL A 189 91.429 48.593 47.042 1.00 16.69 C +ATOM 1387 C VAL A 189 90.393 48.341 45.969 1.00 17.25 C +ATOM 1388 O VAL A 189 89.351 48.976 45.886 1.00 17.64 O +ATOM 1389 CB VAL A 189 92.595 49.390 46.472 1.00 16.87 C +ATOM 1390 CG1 VAL A 189 92.104 50.580 45.630 1.00 16.46 C +ATOM 1391 CG2 VAL A 189 93.617 49.744 47.586 1.00 16.36 C +ATOM 1392 N TYR A 190 90.677 47.337 45.180 1.00 18.59 N +ATOM 1393 CA TYR A 190 89.826 46.868 44.094 1.00 19.41 C +ATOM 1394 C TYR A 190 88.464 46.486 44.614 1.00 20.38 C +ATOM 1395 O TYR A 190 87.431 46.923 44.115 1.00 19.70 O +ATOM 1396 CB TYR A 190 90.524 45.677 43.387 1.00 19.77 C +ATOM 1397 CG TYR A 190 89.542 45.153 42.342 1.00 20.11 C +ATOM 1398 CD1 TYR A 190 89.310 45.895 41.175 1.00 20.13 C +ATOM 1399 CD2 TYR A 190 88.920 43.928 42.529 1.00 20.19 C +ATOM 1400 CE1 TYR A 190 88.454 45.437 40.191 1.00 20.08 C +ATOM 1401 CE2 TYR A 190 88.049 43.483 41.539 1.00 20.73 C +ATOM 1402 CZ TYR A 190 87.822 44.229 40.384 1.00 20.55 C +ATOM 1403 OH TYR A 190 86.902 43.712 39.476 1.00 20.96 O +ATOM 1404 N HIS A 191 88.429 45.624 45.624 1.00 22.09 N +ATOM 1405 CA HIS A 191 87.215 45.141 46.319 1.00 22.62 C +ATOM 1406 C HIS A 191 86.491 46.334 46.908 1.00 22.59 C +ATOM 1407 O HIS A 191 85.282 46.440 46.731 1.00 22.38 O +ATOM 1408 CB HIS A 191 87.507 44.092 47.420 1.00 23.38 C +ATOM 1409 CG HIS A 191 87.881 42.777 46.772 1.00 24.46 C +ATOM 1410 ND1 HIS A 191 89.057 42.076 46.960 1.00 24.91 N +ATOM 1411 CD2 HIS A 191 87.170 42.056 45.871 1.00 24.46 C +ATOM 1412 CE1 HIS A 191 89.079 40.996 46.200 1.00 24.83 C +ATOM 1413 NE2 HIS A 191 87.941 40.981 45.542 1.00 24.91 N +ATOM 1414 N ASN A 192 87.226 47.224 47.533 1.00 23.30 N +ATOM 1415 CA ASN A 192 86.601 48.484 48.052 1.00 24.54 C +ATOM 1416 C ASN A 192 85.997 49.357 46.921 1.00 25.36 C +ATOM 1417 O ASN A 192 84.914 49.955 47.006 1.00 25.45 O +ATOM 1418 CB ASN A 192 87.699 49.208 48.860 1.00 24.15 C +ATOM 1419 CG ASN A 192 87.544 48.687 50.301 1.00 24.46 C +ATOM 1420 OD1 ASN A 192 86.482 49.079 50.840 1.00 24.74 O +ATOM 1421 ND2 ASN A 192 88.475 47.873 50.727 1.00 23.57 N +ATOM 1422 N LEU A 193 86.692 49.509 45.779 1.00 25.73 N +ATOM 1423 CA LEU A 193 86.228 50.279 44.620 1.00 25.69 C +ATOM 1424 C LEU A 193 84.916 49.690 44.109 1.00 25.89 C +ATOM 1425 O LEU A 193 83.933 50.372 43.792 1.00 25.72 O +ATOM 1426 CB LEU A 193 87.394 50.361 43.638 1.00 25.33 C +ATOM 1427 CG LEU A 193 87.163 50.935 42.263 1.00 25.67 C +ATOM 1428 CD1 LEU A 193 86.257 52.152 42.420 1.00 25.80 C +ATOM 1429 CD2 LEU A 193 88.442 51.455 41.594 1.00 25.76 C +ATOM 1430 N LYS A 194 84.812 48.377 44.049 1.00 26.52 N +ATOM 1431 CA LYS A 194 83.619 47.663 43.576 1.00 27.55 C +ATOM 1432 C LYS A 194 82.358 47.924 44.372 1.00 27.62 C +ATOM 1433 O LYS A 194 81.220 48.064 43.907 1.00 27.02 O +ATOM 1434 CB LYS A 194 84.088 46.191 43.461 1.00 28.48 C +ATOM 1435 CG LYS A 194 83.674 45.806 42.019 1.00 29.26 C +ATOM 1436 CD LYS A 194 83.943 44.370 41.694 1.00 29.68 C +ATOM 1437 CE LYS A 194 82.605 43.868 41.140 1.00 30.06 C +ATOM 1438 NZ LYS A 194 82.841 42.644 40.318 1.00 30.86 N +ATOM 1439 N SER A 195 82.546 47.970 45.683 1.00 28.03 N +ATOM 1440 CA SER A 195 81.551 48.274 46.682 1.00 28.46 C +ATOM 1441 C SER A 195 81.059 49.716 46.464 1.00 28.68 C +ATOM 1442 O SER A 195 79.810 49.881 46.444 1.00 29.81 O +ATOM 1443 CB SER A 195 82.137 48.440 48.086 1.00 28.67 C +ATOM 1444 OG SER A 195 81.943 47.256 48.792 1.00 29.84 O +ATOM 1445 N LEU A 196 82.012 50.648 46.399 1.00 28.29 N +ATOM 1446 CA LEU A 196 81.602 52.019 46.211 1.00 28.46 C +ATOM 1447 C LEU A 196 80.833 52.154 44.889 1.00 29.55 C +ATOM 1448 O LEU A 196 79.856 52.881 44.966 1.00 29.60 O +ATOM 1449 CB LEU A 196 82.700 53.052 46.189 1.00 28.31 C +ATOM 1450 CG LEU A 196 83.746 53.053 47.263 1.00 28.90 C +ATOM 1451 CD1 LEU A 196 84.797 54.132 47.014 1.00 29.26 C +ATOM 1452 CD2 LEU A 196 83.098 53.380 48.595 1.00 29.41 C +ATOM 1453 N THR A 197 81.280 51.547 43.818 1.00 30.64 N +ATOM 1454 CA THR A 197 80.679 51.634 42.505 1.00 32.28 C +ATOM 1455 C THR A 197 79.244 51.157 42.479 1.00 33.75 C +ATOM 1456 O THR A 197 78.354 51.795 41.938 1.00 33.64 O +ATOM 1457 CB THR A 197 81.521 50.895 41.379 1.00 32.03 C +ATOM 1458 OG1 THR A 197 82.932 51.268 41.535 1.00 32.17 O +ATOM 1459 CG2 THR A 197 81.044 51.302 39.979 1.00 32.12 C +ATOM 1460 N LYS A 198 79.017 49.993 43.037 1.00 36.40 N +ATOM 1461 CA LYS A 198 77.708 49.350 43.128 1.00 38.52 C +ATOM 1462 C LYS A 198 76.845 50.284 43.975 1.00 39.36 C +ATOM 1463 O LYS A 198 75.637 50.431 43.694 1.00 40.25 O +ATOM 1464 CB LYS A 198 77.763 48.001 43.812 1.00 39.77 C +ATOM 1465 CG LYS A 198 78.639 46.984 43.069 1.00 41.36 C +ATOM 1466 CD LYS A 198 78.179 45.605 43.550 1.00 42.97 C +ATOM 1467 CE LYS A 198 79.345 44.637 43.389 1.00 44.85 C +ATOM 1468 NZ LYS A 198 78.881 43.348 42.745 1.00 46.31 N +ATOM 1469 N LYS A 199 77.493 50.872 44.960 1.00 39.88 N +ATOM 1470 CA LYS A 199 76.773 51.818 45.821 1.00 40.95 C +ATOM 1471 C LYS A 199 76.284 53.060 45.077 1.00 40.46 C +ATOM 1472 O LYS A 199 75.072 53.323 45.069 1.00 41.18 O +ATOM 1473 CB LYS A 199 77.556 52.358 47.012 1.00 42.07 C +ATOM 1474 CG LYS A 199 77.374 51.478 48.258 1.00 43.84 C +ATOM 1475 CD LYS A 199 78.487 51.870 49.241 1.00 45.18 C +ATOM 1476 CE LYS A 199 79.049 50.619 49.927 1.00 46.04 C +ATOM 1477 NZ LYS A 199 80.430 51.009 50.421 1.00 47.37 N +ATOM 1478 N ARG A 200 77.182 53.803 44.490 1.00 39.58 N +ATOM 1479 CA ARG A 200 76.888 55.051 43.791 1.00 38.54 C +ATOM 1480 C ARG A 200 76.350 54.981 42.388 1.00 37.88 C +ATOM 1481 O ARG A 200 75.760 56.024 42.021 1.00 37.71 O +ATOM 1482 CB ARG A 200 78.139 55.941 43.802 1.00 38.59 C +ATOM 1483 CG ARG A 200 78.729 55.960 45.226 1.00 38.97 C +ATOM 1484 CD ARG A 200 80.116 56.402 45.014 1.00 40.33 C +ATOM 1485 NE ARG A 200 80.712 56.942 46.186 1.00 41.56 N +ATOM 1486 CZ ARG A 200 81.892 57.471 46.476 1.00 42.12 C +ATOM 1487 NH1 ARG A 200 82.889 57.607 45.601 1.00 42.61 N +ATOM 1488 NH2 ARG A 200 82.070 57.911 47.749 1.00 42.06 N +ATOM 1489 N TYR A 201 76.532 53.879 41.697 1.00 36.87 N +ATOM 1490 CA TYR A 201 76.061 53.724 40.309 1.00 36.05 C +ATOM 1491 C TYR A 201 75.092 52.581 40.087 1.00 36.62 C +ATOM 1492 O TYR A 201 74.633 52.419 38.952 1.00 36.89 O +ATOM 1493 CB TYR A 201 77.284 53.510 39.360 1.00 34.62 C +ATOM 1494 CG TYR A 201 78.234 54.682 39.492 1.00 33.39 C +ATOM 1495 CD1 TYR A 201 77.962 55.835 38.780 1.00 33.04 C +ATOM 1496 CD2 TYR A 201 79.344 54.711 40.319 1.00 33.22 C +ATOM 1497 CE1 TYR A 201 78.739 56.976 38.833 1.00 32.41 C +ATOM 1498 CE2 TYR A 201 80.146 55.847 40.410 1.00 32.65 C +ATOM 1499 CZ TYR A 201 79.840 56.966 39.659 1.00 32.43 C +ATOM 1500 OH TYR A 201 80.589 58.115 39.663 1.00 32.55 O +ATOM 1501 N GLY A 202 74.809 51.763 41.085 1.00 37.35 N +ATOM 1502 CA GLY A 202 73.888 50.637 40.942 1.00 37.90 C +ATOM 1503 C GLY A 202 74.637 49.374 40.559 1.00 38.53 C +ATOM 1504 O GLY A 202 75.786 49.403 40.114 1.00 38.80 O +ATOM 1505 N ALA A 203 73.954 48.281 40.756 1.00 39.00 N +ATOM 1506 CA ALA A 203 74.366 46.910 40.531 1.00 39.67 C +ATOM 1507 C ALA A 203 74.956 46.596 39.168 1.00 40.15 C +ATOM 1508 O ALA A 203 75.799 45.670 39.106 1.00 40.87 O +ATOM 1509 CB ALA A 203 73.165 46.002 40.838 1.00 39.61 C +ATOM 1510 N SER A 204 74.546 47.270 38.140 1.00 40.45 N +ATOM 1511 CA SER A 204 75.074 47.005 36.789 1.00 41.18 C +ATOM 1512 C SER A 204 76.499 47.562 36.699 1.00 41.20 C +ATOM 1513 O SER A 204 77.302 47.088 35.851 1.00 41.72 O +ATOM 1514 CB SER A 204 74.190 47.649 35.730 1.00 42.14 C +ATOM 1515 OG SER A 204 74.421 49.077 35.684 1.00 43.02 O +ATOM 1516 N ALA A 205 76.768 48.538 37.565 1.00 40.23 N +ATOM 1517 CA ALA A 205 78.070 49.218 37.666 1.00 38.84 C +ATOM 1518 C ALA A 205 79.107 48.212 38.174 1.00 38.34 C +ATOM 1519 O ALA A 205 80.323 48.405 37.927 1.00 39.09 O +ATOM 1520 CB ALA A 205 77.967 50.500 38.475 1.00 38.35 C +ATOM 1521 N GLY A 206 78.683 47.128 38.810 1.00 36.92 N +ATOM 1522 CA GLY A 206 79.495 46.058 39.342 1.00 35.47 C +ATOM 1523 C GLY A 206 80.108 45.108 38.322 1.00 34.86 C +ATOM 1524 O GLY A 206 81.138 44.470 38.651 1.00 34.73 O +ATOM 1525 N ASN A 207 79.563 45.042 37.111 1.00 33.94 N +ATOM 1526 CA ASN A 207 80.050 44.171 36.017 1.00 33.07 C +ATOM 1527 C ASN A 207 81.399 44.584 35.462 1.00 32.09 C +ATOM 1528 O ASN A 207 81.644 45.793 35.396 1.00 32.81 O +ATOM 1529 CB ASN A 207 79.008 43.908 34.940 1.00 33.37 C +ATOM 1530 CG ASN A 207 77.729 43.278 35.515 1.00 33.51 C +ATOM 1531 OD1 ASN A 207 76.682 43.717 35.011 1.00 33.67 O +ATOM 1532 ND2 ASN A 207 77.802 42.370 36.492 1.00 33.68 N +ATOM 1533 N VAL A 208 82.226 43.615 35.125 1.00 30.79 N +ATOM 1534 CA VAL A 208 83.562 44.021 34.628 1.00 29.79 C +ATOM 1535 C VAL A 208 83.690 44.042 33.111 1.00 30.05 C +ATOM 1536 O VAL A 208 82.931 43.381 32.384 1.00 29.82 O +ATOM 1537 CB VAL A 208 84.568 43.112 35.347 1.00 28.77 C +ATOM 1538 CG1 VAL A 208 84.414 43.127 36.847 1.00 28.68 C +ATOM 1539 CG2 VAL A 208 84.492 41.702 34.818 1.00 28.40 C +ATOM 1540 N GLY A 209 84.686 44.802 32.658 1.00 29.94 N +ATOM 1541 CA GLY A 209 85.121 45.008 31.288 1.00 30.05 C +ATOM 1542 C GLY A 209 86.108 43.907 30.937 1.00 30.91 C +ATOM 1543 O GLY A 209 86.461 43.057 31.787 1.00 31.51 O +ATOM 1544 N ASP A 210 86.628 43.803 29.729 1.00 31.49 N +ATOM 1545 CA ASP A 210 87.561 42.765 29.272 1.00 31.95 C +ATOM 1546 C ASP A 210 88.765 42.365 30.138 1.00 31.87 C +ATOM 1547 O ASP A 210 89.116 41.179 30.043 1.00 31.61 O +ATOM 1548 CB ASP A 210 88.059 43.097 27.843 1.00 31.65 C +ATOM 1549 CG ASP A 210 86.970 42.825 26.833 1.00 31.79 C +ATOM 1550 OD1 ASP A 210 86.062 42.042 27.150 1.00 31.59 O +ATOM 1551 OD2 ASP A 210 87.049 43.407 25.739 1.00 32.54 O +ATOM 1552 N GLU A 211 89.364 43.281 30.844 1.00 32.36 N +ATOM 1553 CA GLU A 211 90.548 43.174 31.677 1.00 33.60 C +ATOM 1554 C GLU A 211 90.408 43.087 33.198 1.00 32.94 C +ATOM 1555 O GLU A 211 91.358 42.922 33.975 1.00 32.55 O +ATOM 1556 CB GLU A 211 91.377 44.450 31.341 1.00 34.95 C +ATOM 1557 CG GLU A 211 91.934 44.344 29.909 1.00 37.87 C +ATOM 1558 CD GLU A 211 92.851 45.396 29.342 1.00 39.44 C +ATOM 1559 OE1 GLU A 211 93.278 46.278 30.119 1.00 40.55 O +ATOM 1560 OE2 GLU A 211 93.141 45.327 28.096 1.00 40.03 O +ATOM 1561 N GLY A 212 89.179 43.172 33.631 1.00 32.17 N +ATOM 1562 CA GLY A 212 88.691 43.145 34.975 1.00 32.11 C +ATOM 1563 C GLY A 212 88.258 44.471 35.610 1.00 31.78 C +ATOM 1564 O GLY A 212 87.831 44.307 36.757 1.00 31.02 O +ATOM 1565 N GLY A 213 88.326 45.661 35.024 1.00 31.37 N +ATOM 1566 CA GLY A 213 87.865 46.829 35.793 1.00 31.01 C +ATOM 1567 C GLY A 213 86.368 47.015 35.532 1.00 31.06 C +ATOM 1568 O GLY A 213 85.766 46.421 34.647 1.00 30.87 O +ATOM 1569 N VAL A 214 85.797 47.850 36.352 1.00 31.49 N +ATOM 1570 CA VAL A 214 84.381 48.249 36.326 1.00 32.20 C +ATOM 1571 C VAL A 214 84.369 49.363 35.267 1.00 32.66 C +ATOM 1572 O VAL A 214 85.431 49.922 34.928 1.00 32.83 O +ATOM 1573 CB VAL A 214 83.818 48.594 37.702 1.00 32.17 C +ATOM 1574 CG1 VAL A 214 83.807 47.335 38.600 1.00 32.73 C +ATOM 1575 CG2 VAL A 214 84.632 49.689 38.382 1.00 32.21 C +ATOM 1576 N ALA A 215 83.189 49.605 34.769 1.00 32.86 N +ATOM 1577 CA ALA A 215 82.942 50.590 33.729 1.00 33.14 C +ATOM 1578 C ALA A 215 81.576 51.238 33.929 1.00 33.68 C +ATOM 1579 O ALA A 215 80.703 51.059 33.092 1.00 34.41 O +ATOM 1580 CB ALA A 215 83.119 49.917 32.389 1.00 32.69 C +ATOM 1581 N PRO A 216 81.452 51.957 35.031 1.00 34.26 N +ATOM 1582 CA PRO A 216 80.229 52.678 35.348 1.00 35.05 C +ATOM 1583 C PRO A 216 80.143 53.874 34.399 1.00 36.68 C +ATOM 1584 O PRO A 216 81.105 54.149 33.624 1.00 37.30 O +ATOM 1585 CB PRO A 216 80.471 53.076 36.792 1.00 34.59 C +ATOM 1586 CG PRO A 216 81.942 53.188 36.959 1.00 34.19 C +ATOM 1587 CD PRO A 216 82.540 52.158 36.033 1.00 33.97 C +ATOM 1588 N ASN A 217 79.025 54.579 34.390 1.00 37.82 N +ATOM 1589 CA ASN A 217 78.808 55.762 33.530 1.00 38.84 C +ATOM 1590 C ASN A 217 79.285 56.976 34.326 1.00 38.04 C +ATOM 1591 O ASN A 217 78.570 57.533 35.175 1.00 38.04 O +ATOM 1592 CB ASN A 217 77.397 55.895 32.932 1.00 41.07 C +ATOM 1593 CG ASN A 217 77.324 54.688 31.992 1.00 43.66 C +ATOM 1594 OD1 ASN A 217 76.408 54.323 31.233 1.00 45.19 O +ATOM 1595 ND2 ASN A 217 78.440 53.890 32.008 1.00 44.85 N +ATOM 1596 N ILE A 218 80.533 57.274 34.034 1.00 36.67 N +ATOM 1597 CA ILE A 218 81.209 58.389 34.701 1.00 35.53 C +ATOM 1598 C ILE A 218 81.306 59.449 33.631 1.00 35.74 C +ATOM 1599 O ILE A 218 81.427 59.099 32.457 1.00 35.36 O +ATOM 1600 CB ILE A 218 82.533 57.856 35.298 1.00 35.34 C +ATOM 1601 CG1 ILE A 218 82.284 57.274 36.713 1.00 34.68 C +ATOM 1602 CG2 ILE A 218 83.705 58.879 35.276 1.00 35.38 C +ATOM 1603 CD1 ILE A 218 83.491 56.419 37.174 1.00 34.77 C +ATOM 1604 N GLN A 219 81.244 60.656 34.134 1.00 36.44 N +ATOM 1605 CA GLN A 219 81.285 61.858 33.313 1.00 37.09 C +ATOM 1606 C GLN A 219 82.641 62.484 33.081 1.00 36.82 C +ATOM 1607 O GLN A 219 82.873 62.913 31.913 1.00 36.90 O +ATOM 1608 CB GLN A 219 80.288 62.855 33.931 1.00 38.82 C +ATOM 1609 CG GLN A 219 78.877 62.215 33.875 1.00 41.65 C +ATOM 1610 CD GLN A 219 78.587 61.640 32.474 1.00 43.50 C +ATOM 1611 OE1 GLN A 219 78.682 62.420 31.480 1.00 44.51 O +ATOM 1612 NE2 GLN A 219 78.260 60.336 32.327 1.00 43.67 N +ATOM 1613 N THR A 220 83.489 62.565 34.120 1.00 35.35 N +ATOM 1614 CA THR A 220 84.791 63.187 33.998 1.00 34.10 C +ATOM 1615 C THR A 220 85.938 62.404 34.607 1.00 33.50 C +ATOM 1616 O THR A 220 85.722 61.504 35.411 1.00 33.51 O +ATOM 1617 CB THR A 220 84.722 64.633 34.632 1.00 34.77 C +ATOM 1618 OG1 THR A 220 84.196 64.580 36.011 1.00 34.91 O +ATOM 1619 CG2 THR A 220 83.924 65.627 33.764 1.00 35.33 C +ATOM 1620 N ALA A 221 87.174 62.736 34.270 1.00 32.57 N +ATOM 1621 CA ALA A 221 88.401 62.150 34.761 1.00 31.66 C +ATOM 1622 C ALA A 221 88.413 62.392 36.274 1.00 31.03 C +ATOM 1623 O ALA A 221 88.759 61.427 36.930 1.00 31.18 O +ATOM 1624 CB ALA A 221 89.665 62.745 34.146 1.00 31.20 C +ATOM 1625 N GLU A 222 88.099 63.574 36.745 1.00 30.65 N +ATOM 1626 CA GLU A 222 88.071 63.913 38.155 1.00 31.29 C +ATOM 1627 C GLU A 222 87.104 63.012 38.929 1.00 30.43 C +ATOM 1628 O GLU A 222 87.398 62.560 40.045 1.00 30.50 O +ATOM 1629 CB GLU A 222 87.614 65.313 38.509 1.00 32.59 C +ATOM 1630 CG GLU A 222 88.308 66.506 37.927 1.00 34.73 C +ATOM 1631 CD GLU A 222 88.411 66.719 36.445 1.00 36.10 C +ATOM 1632 OE1 GLU A 222 87.702 66.069 35.638 1.00 36.81 O +ATOM 1633 OE2 GLU A 222 89.187 67.573 35.999 1.00 36.83 O +ATOM 1634 N GLU A 223 85.954 62.770 38.353 1.00 29.58 N +ATOM 1635 CA GLU A 223 84.955 61.894 38.971 1.00 29.15 C +ATOM 1636 C GLU A 223 85.502 60.491 39.219 1.00 28.29 C +ATOM 1637 O GLU A 223 85.334 59.965 40.329 1.00 29.05 O +ATOM 1638 CB GLU A 223 83.766 61.616 38.086 1.00 29.40 C +ATOM 1639 CG GLU A 223 82.546 61.191 38.907 1.00 30.31 C +ATOM 1640 CD GLU A 223 81.425 61.120 37.884 1.00 31.17 C +ATOM 1641 OE1 GLU A 223 81.192 62.018 37.060 1.00 31.50 O +ATOM 1642 OE2 GLU A 223 80.964 59.990 38.131 1.00 31.65 O +ATOM 1643 N ALA A 224 86.125 59.978 38.164 1.00 26.45 N +ATOM 1644 CA ALA A 224 86.731 58.650 38.197 1.00 24.61 C +ATOM 1645 C ALA A 224 87.884 58.611 39.170 1.00 23.31 C +ATOM 1646 O ALA A 224 88.065 57.679 39.912 1.00 23.37 O +ATOM 1647 CB ALA A 224 87.291 58.278 36.813 1.00 24.20 C +ATOM 1648 N LEU A 225 88.699 59.624 39.143 1.00 22.82 N +ATOM 1649 CA LEU A 225 89.916 59.737 39.974 1.00 22.07 C +ATOM 1650 C LEU A 225 89.503 59.846 41.435 1.00 22.36 C +ATOM 1651 O LEU A 225 90.193 59.223 42.252 1.00 21.94 O +ATOM 1652 CB LEU A 225 90.836 60.837 39.430 1.00 21.26 C +ATOM 1653 CG LEU A 225 91.672 60.570 38.181 1.00 19.84 C +ATOM 1654 CD1 LEU A 225 92.396 61.785 37.661 1.00 18.76 C +ATOM 1655 CD2 LEU A 225 92.674 59.485 38.532 1.00 18.85 C +ATOM 1656 N ASP A 226 88.441 60.589 41.686 1.00 22.50 N +ATOM 1657 CA ASP A 226 87.937 60.784 43.048 1.00 23.31 C +ATOM 1658 C ASP A 226 87.432 59.487 43.693 1.00 23.33 C +ATOM 1659 O ASP A 226 87.615 59.329 44.897 1.00 23.57 O +ATOM 1660 CB ASP A 226 86.804 61.789 43.133 1.00 23.47 C +ATOM 1661 CG ASP A 226 87.288 63.229 43.142 1.00 23.95 C +ATOM 1662 OD1 ASP A 226 88.474 63.595 43.363 1.00 24.11 O +ATOM 1663 OD2 ASP A 226 86.334 63.980 42.870 1.00 24.93 O +ATOM 1664 N LEU A 227 86.865 58.679 42.860 1.00 23.30 N +ATOM 1665 CA LEU A 227 86.318 57.392 43.299 1.00 23.82 C +ATOM 1666 C LEU A 227 87.376 56.383 43.710 1.00 23.72 C +ATOM 1667 O LEU A 227 87.209 55.594 44.691 1.00 24.13 O +ATOM 1668 CB LEU A 227 85.313 57.075 42.191 1.00 24.32 C +ATOM 1669 CG LEU A 227 84.950 55.619 42.042 1.00 24.62 C +ATOM 1670 CD1 LEU A 227 84.187 55.210 43.280 1.00 25.02 C +ATOM 1671 CD2 LEU A 227 84.091 55.506 40.780 1.00 24.73 C +ATOM 1672 N ILE A 228 88.498 56.349 43.019 1.00 22.80 N +ATOM 1673 CA ILE A 228 89.668 55.535 43.215 1.00 21.41 C +ATOM 1674 C ILE A 228 90.414 56.004 44.481 1.00 21.24 C +ATOM 1675 O ILE A 228 91.034 55.254 45.220 1.00 20.40 O +ATOM 1676 CB ILE A 228 90.623 55.620 41.961 1.00 20.74 C +ATOM 1677 CG1 ILE A 228 89.934 55.022 40.711 1.00 20.82 C +ATOM 1678 CG2 ILE A 228 92.023 54.986 42.180 1.00 20.52 C +ATOM 1679 CD1 ILE A 228 90.812 55.287 39.422 1.00 20.77 C +ATOM 1680 N VAL A 229 90.449 57.311 44.683 1.00 21.90 N +ATOM 1681 CA VAL A 229 91.154 57.896 45.851 1.00 22.41 C +ATOM 1682 C VAL A 229 90.342 57.557 47.125 1.00 22.97 C +ATOM 1683 O VAL A 229 90.946 57.173 48.161 1.00 23.74 O +ATOM 1684 CB VAL A 229 91.609 59.318 45.558 1.00 21.82 C +ATOM 1685 CG1 VAL A 229 91.555 60.175 46.824 1.00 22.04 C +ATOM 1686 CG2 VAL A 229 92.992 59.258 44.920 1.00 21.37 C +ATOM 1687 N ASP A 230 89.033 57.534 47.005 1.00 22.94 N +ATOM 1688 CA ASP A 230 88.135 57.174 48.074 1.00 22.80 C +ATOM 1689 C ASP A 230 88.341 55.716 48.395 1.00 22.90 C +ATOM 1690 O ASP A 230 88.301 55.392 49.587 1.00 23.65 O +ATOM 1691 CB ASP A 230 86.669 57.385 47.684 1.00 24.16 C +ATOM 1692 CG ASP A 230 86.243 58.839 47.749 1.00 25.46 C +ATOM 1693 OD1 ASP A 230 87.024 59.610 48.366 1.00 25.70 O +ATOM 1694 OD2 ASP A 230 85.182 59.267 47.221 1.00 26.36 O +ATOM 1695 N ALA A 231 88.492 54.897 47.363 1.00 22.83 N +ATOM 1696 CA ALA A 231 88.649 53.419 47.515 1.00 21.73 C +ATOM 1697 C ALA A 231 89.976 53.097 48.179 1.00 21.74 C +ATOM 1698 O ALA A 231 90.064 52.155 48.993 1.00 21.51 O +ATOM 1699 CB ALA A 231 88.381 52.663 46.240 1.00 21.27 C +ATOM 1700 N ILE A 232 91.000 53.881 47.870 1.00 21.68 N +ATOM 1701 CA ILE A 232 92.340 53.765 48.415 1.00 21.77 C +ATOM 1702 C ILE A 232 92.166 54.125 49.905 1.00 23.11 C +ATOM 1703 O ILE A 232 92.656 53.336 50.720 1.00 22.91 O +ATOM 1704 CB ILE A 232 93.463 54.670 47.769 1.00 21.56 C +ATOM 1705 CG1 ILE A 232 93.650 54.436 46.234 1.00 21.61 C +ATOM 1706 CG2 ILE A 232 94.798 54.549 48.552 1.00 20.26 C +ATOM 1707 CD1 ILE A 232 94.793 55.068 45.405 1.00 20.69 C +ATOM 1708 N LYS A 233 91.495 55.264 50.162 1.00 24.19 N +ATOM 1709 CA LYS A 233 91.273 55.710 51.531 1.00 25.32 C +ATOM 1710 C LYS A 233 90.508 54.654 52.285 1.00 25.47 C +ATOM 1711 O LYS A 233 91.084 54.278 53.321 1.00 26.16 O +ATOM 1712 CB LYS A 233 90.622 57.060 51.620 1.00 26.40 C +ATOM 1713 CG LYS A 233 91.749 58.013 51.207 1.00 28.91 C +ATOM 1714 CD LYS A 233 91.249 59.457 51.015 1.00 30.73 C +ATOM 1715 CE LYS A 233 92.503 60.283 51.298 1.00 32.40 C +ATOM 1716 NZ LYS A 233 92.852 61.258 50.211 1.00 34.24 N +ATOM 1717 N ALA A 234 89.416 54.160 51.777 1.00 25.39 N +ATOM 1718 CA ALA A 234 88.697 53.095 52.491 1.00 25.69 C +ATOM 1719 C ALA A 234 89.451 51.786 52.676 1.00 25.95 C +ATOM 1720 O ALA A 234 89.117 51.108 53.706 1.00 26.87 O +ATOM 1721 CB ALA A 234 87.326 52.818 51.901 1.00 25.16 C +ATOM 1722 N ALA A 235 90.381 51.379 51.843 1.00 25.44 N +ATOM 1723 CA ALA A 235 91.052 50.080 52.062 1.00 24.89 C +ATOM 1724 C ALA A 235 92.086 50.339 53.137 1.00 25.39 C +ATOM 1725 O ALA A 235 92.771 49.417 53.611 1.00 25.97 O +ATOM 1726 CB ALA A 235 91.636 49.603 50.749 1.00 23.79 C +ATOM 1727 N GLY A 236 92.264 51.577 53.482 1.00 25.57 N +ATOM 1728 CA GLY A 236 93.252 52.047 54.444 1.00 27.12 C +ATOM 1729 C GLY A 236 94.696 52.042 53.930 1.00 28.44 C +ATOM 1730 O GLY A 236 95.640 51.897 54.749 1.00 28.21 O +ATOM 1731 N HIS A 237 94.869 52.247 52.617 1.00 28.90 N +ATOM 1732 CA HIS A 237 96.207 52.167 52.040 1.00 30.33 C +ATOM 1733 C HIS A 237 96.656 53.464 51.402 1.00 31.83 C +ATOM 1734 O HIS A 237 97.428 53.545 50.438 1.00 32.46 O +ATOM 1735 CB HIS A 237 96.281 51.014 50.992 1.00 30.01 C +ATOM 1736 CG HIS A 237 96.026 49.665 51.634 1.00 29.15 C +ATOM 1737 ND1 HIS A 237 96.856 49.098 52.596 1.00 28.26 N +ATOM 1738 CD2 HIS A 237 94.991 48.799 51.399 1.00 28.41 C +ATOM 1739 CE1 HIS A 237 96.316 47.934 52.909 1.00 27.84 C +ATOM 1740 NE2 HIS A 237 95.201 47.722 52.215 1.00 27.80 N +ATOM 1741 N ASP A 238 96.146 54.497 52.005 1.00 33.07 N +ATOM 1742 CA ASP A 238 96.423 55.872 51.615 1.00 34.54 C +ATOM 1743 C ASP A 238 97.917 56.102 51.666 1.00 33.72 C +ATOM 1744 O ASP A 238 98.543 55.835 52.710 1.00 34.18 O +ATOM 1745 CB ASP A 238 95.549 56.715 52.563 1.00 37.66 C +ATOM 1746 CG ASP A 238 95.393 58.075 51.890 1.00 40.47 C +ATOM 1747 OD1 ASP A 238 96.076 58.290 50.839 1.00 42.06 O +ATOM 1748 OD2 ASP A 238 94.593 58.907 52.374 1.00 41.61 O +ATOM 1749 N GLY A 239 98.528 56.549 50.594 1.00 32.43 N +ATOM 1750 CA GLY A 239 99.946 56.834 50.437 1.00 30.13 C +ATOM 1751 C GLY A 239 100.773 55.686 49.932 1.00 29.51 C +ATOM 1752 O GLY A 239 101.936 55.774 49.474 1.00 29.17 O +ATOM 1753 N LYS A 240 100.220 54.485 50.017 1.00 28.78 N +ATOM 1754 CA LYS A 240 101.031 53.320 49.575 1.00 28.18 C +ATOM 1755 C LYS A 240 100.781 52.947 48.110 1.00 25.96 C +ATOM 1756 O LYS A 240 101.549 52.193 47.534 1.00 25.49 O +ATOM 1757 CB LYS A 240 100.787 52.098 50.483 1.00 28.96 C +ATOM 1758 CG LYS A 240 101.445 52.041 51.875 1.00 30.60 C +ATOM 1759 CD LYS A 240 102.171 50.711 52.062 1.00 32.24 C +ATOM 1760 CE LYS A 240 102.606 50.338 53.470 1.00 33.61 C +ATOM 1761 NZ LYS A 240 103.144 48.920 53.535 1.00 33.90 N +ATOM 1762 N VAL A 241 99.686 53.406 47.606 1.00 24.33 N +ATOM 1763 CA VAL A 241 99.097 53.182 46.297 1.00 23.24 C +ATOM 1764 C VAL A 241 98.891 54.473 45.475 1.00 22.26 C +ATOM 1765 O VAL A 241 98.175 55.383 45.870 1.00 21.44 O +ATOM 1766 CB VAL A 241 97.704 52.481 46.438 1.00 22.57 C +ATOM 1767 CG1 VAL A 241 96.977 52.077 45.145 1.00 22.10 C +ATOM 1768 CG2 VAL A 241 97.763 51.335 47.434 1.00 22.24 C +ATOM 1769 N LYS A 242 99.487 54.376 44.314 1.00 21.61 N +ATOM 1770 CA LYS A 242 99.478 55.317 43.235 1.00 21.64 C +ATOM 1771 C LYS A 242 98.549 54.954 42.084 1.00 21.03 C +ATOM 1772 O LYS A 242 98.053 53.845 41.974 1.00 21.23 O +ATOM 1773 CB LYS A 242 100.861 55.391 42.576 1.00 23.02 C +ATOM 1774 CG LYS A 242 101.931 55.735 43.581 1.00 24.76 C +ATOM 1775 CD LYS A 242 101.460 56.750 44.617 1.00 25.92 C +ATOM 1776 CE LYS A 242 102.619 56.828 45.639 1.00 27.60 C +ATOM 1777 NZ LYS A 242 102.634 58.262 46.072 1.00 29.16 N +ATOM 1778 N ILE A 243 98.385 55.899 41.170 1.00 20.03 N +ATOM 1779 CA ILE A 243 97.556 55.786 39.970 1.00 18.87 C +ATOM 1780 C ILE A 243 98.391 55.955 38.721 1.00 18.04 C +ATOM 1781 O ILE A 243 99.397 56.608 38.598 1.00 18.52 O +ATOM 1782 CB ILE A 243 96.405 56.815 40.039 1.00 18.51 C +ATOM 1783 CG1 ILE A 243 95.921 56.694 41.524 1.00 18.16 C +ATOM 1784 CG2 ILE A 243 95.270 56.671 38.983 1.00 18.02 C +ATOM 1785 CD1 ILE A 243 94.734 57.676 41.786 1.00 18.16 C +ATOM 1786 N GLY A 244 98.008 55.190 37.772 1.00 18.24 N +ATOM 1787 CA GLY A 244 98.530 55.045 36.379 1.00 17.72 C +ATOM 1788 C GLY A 244 97.329 55.289 35.457 1.00 16.81 C +ATOM 1789 O GLY A 244 96.230 54.874 35.789 1.00 15.32 O +ATOM 1790 N LEU A 245 97.571 55.999 34.357 1.00 17.84 N +ATOM 1791 CA LEU A 245 96.530 56.332 33.386 1.00 17.40 C +ATOM 1792 C LEU A 245 96.999 55.827 32.006 1.00 17.57 C +ATOM 1793 O LEU A 245 98.201 55.854 31.774 1.00 16.95 O +ATOM 1794 CB LEU A 245 96.274 57.784 33.171 1.00 18.40 C +ATOM 1795 CG LEU A 245 95.797 58.741 34.235 1.00 19.59 C +ATOM 1796 CD1 LEU A 245 95.101 59.907 33.551 1.00 19.87 C +ATOM 1797 CD2 LEU A 245 94.781 58.147 35.193 1.00 20.00 C +ATOM 1798 N ASP A 246 95.992 55.372 31.279 1.00 17.31 N +ATOM 1799 CA ASP A 246 96.223 54.939 29.906 1.00 17.03 C +ATOM 1800 C ASP A 246 95.209 55.873 29.214 1.00 16.47 C +ATOM 1801 O ASP A 246 94.034 55.550 29.345 1.00 15.85 O +ATOM 1802 CB ASP A 246 96.032 53.543 29.459 1.00 18.61 C +ATOM 1803 CG ASP A 246 96.061 53.288 27.949 1.00 19.20 C +ATOM 1804 OD1 ASP A 246 96.466 54.121 27.085 1.00 19.56 O +ATOM 1805 OD2 ASP A 246 95.650 52.167 27.688 1.00 19.57 O +ATOM 1806 N CYS A 247 95.654 56.944 28.604 1.00 16.59 N +ATOM 1807 CA CYS A 247 94.589 57.753 27.984 1.00 17.54 C +ATOM 1808 C CYS A 247 94.111 57.224 26.624 1.00 17.59 C +ATOM 1809 O CYS A 247 93.021 57.705 26.294 1.00 16.89 O +ATOM 1810 CB CYS A 247 95.087 59.150 27.788 1.00 18.36 C +ATOM 1811 SG CYS A 247 95.949 59.876 29.170 1.00 21.07 S +ATOM 1812 N ALA A 248 94.848 56.387 25.890 1.00 17.77 N +ATOM 1813 CA ALA A 248 94.432 55.933 24.551 1.00 18.02 C +ATOM 1814 C ALA A 248 93.972 57.194 23.780 1.00 18.33 C +ATOM 1815 O ALA A 248 92.892 57.088 23.180 1.00 18.79 O +ATOM 1816 CB ALA A 248 93.337 54.906 24.486 1.00 17.41 C +ATOM 1817 N SER A 249 94.735 58.285 23.844 1.00 19.13 N +ATOM 1818 CA SER A 249 94.373 59.541 23.186 1.00 20.23 C +ATOM 1819 C SER A 249 94.187 59.483 21.658 1.00 21.19 C +ATOM 1820 O SER A 249 93.615 60.443 21.134 1.00 22.06 O +ATOM 1821 CB SER A 249 95.258 60.718 23.526 1.00 19.38 C +ATOM 1822 OG SER A 249 96.591 60.467 23.187 1.00 19.77 O +ATOM 1823 N SER A 250 94.590 58.466 20.965 1.00 22.53 N +ATOM 1824 CA SER A 250 94.453 58.260 19.518 1.00 23.82 C +ATOM 1825 C SER A 250 92.959 58.185 19.197 1.00 24.52 C +ATOM 1826 O SER A 250 92.469 58.683 18.172 1.00 24.08 O +ATOM 1827 CB SER A 250 95.247 57.039 19.013 1.00 23.62 C +ATOM 1828 OG SER A 250 96.637 57.392 18.937 1.00 23.82 O +ATOM 1829 N GLU A 251 92.220 57.673 20.192 1.00 25.67 N +ATOM 1830 CA GLU A 251 90.757 57.535 20.050 1.00 26.15 C +ATOM 1831 C GLU A 251 90.014 58.824 19.988 1.00 25.32 C +ATOM 1832 O GLU A 251 88.947 58.815 19.328 1.00 26.12 O +ATOM 1833 CB GLU A 251 90.213 56.652 21.178 1.00 27.98 C +ATOM 1834 CG GLU A 251 91.054 55.393 21.252 1.00 30.84 C +ATOM 1835 CD GLU A 251 90.659 54.246 20.332 1.00 33.12 C +ATOM 1836 OE1 GLU A 251 89.377 54.126 20.429 1.00 34.71 O +ATOM 1837 OE2 GLU A 251 91.466 53.578 19.648 1.00 33.50 O +ATOM 1838 N PHE A 252 90.437 59.886 20.571 1.00 24.27 N +ATOM 1839 CA PHE A 252 89.666 61.147 20.516 1.00 24.09 C +ATOM 1840 C PHE A 252 90.428 62.274 19.825 1.00 24.09 C +ATOM 1841 O PHE A 252 90.080 63.418 20.180 1.00 24.60 O +ATOM 1842 CB PHE A 252 89.141 61.623 21.893 1.00 22.89 C +ATOM 1843 CG PHE A 252 90.154 61.554 23.001 1.00 21.89 C +ATOM 1844 CD1 PHE A 252 90.978 62.609 23.276 1.00 21.73 C +ATOM 1845 CD2 PHE A 252 90.236 60.393 23.789 1.00 21.61 C +ATOM 1846 CE1 PHE A 252 91.897 62.523 24.316 1.00 21.97 C +ATOM 1847 CE2 PHE A 252 91.123 60.298 24.829 1.00 21.43 C +ATOM 1848 CZ PHE A 252 92.011 61.369 25.091 1.00 21.43 C +ATOM 1849 N PHE A 253 91.386 61.954 18.989 1.00 24.64 N +ATOM 1850 CA PHE A 253 92.185 62.969 18.267 1.00 25.24 C +ATOM 1851 C PHE A 253 91.496 63.122 16.912 1.00 26.99 C +ATOM 1852 O PHE A 253 91.316 62.130 16.200 1.00 26.89 O +ATOM 1853 CB PHE A 253 93.618 62.571 18.102 1.00 23.90 C +ATOM 1854 CG PHE A 253 94.539 63.536 17.425 1.00 22.82 C +ATOM 1855 CD1 PHE A 253 94.672 64.843 17.865 1.00 22.05 C +ATOM 1856 CD2 PHE A 253 95.285 63.137 16.303 1.00 22.37 C +ATOM 1857 CE1 PHE A 253 95.551 65.718 17.223 1.00 21.61 C +ATOM 1858 CE2 PHE A 253 96.174 63.993 15.674 1.00 21.30 C +ATOM 1859 CZ PHE A 253 96.308 65.305 16.101 1.00 21.11 C +ATOM 1860 N LYS A 254 91.119 64.328 16.575 1.00 29.44 N +ATOM 1861 CA LYS A 254 90.429 64.611 15.330 1.00 31.79 C +ATOM 1862 C LYS A 254 90.725 66.040 14.955 1.00 32.98 C +ATOM 1863 O LYS A 254 90.432 66.945 15.740 1.00 33.73 O +ATOM 1864 CB LYS A 254 88.898 64.640 15.509 1.00 33.01 C +ATOM 1865 CG LYS A 254 88.295 63.581 16.433 1.00 34.36 C +ATOM 1866 CD LYS A 254 87.184 64.119 17.361 1.00 34.85 C +ATOM 1867 CE LYS A 254 86.229 62.985 17.765 1.00 34.87 C +ATOM 1868 NZ LYS A 254 84.855 63.562 17.716 1.00 35.32 N +ATOM 1869 N ASP A 255 91.232 66.173 13.759 1.00 34.93 N +ATOM 1870 CA ASP A 255 91.531 67.486 13.191 1.00 35.89 C +ATOM 1871 C ASP A 255 92.686 68.171 13.891 1.00 35.39 C +ATOM 1872 O ASP A 255 92.510 69.432 13.945 1.00 36.41 O +ATOM 1873 CB ASP A 255 90.329 68.441 13.348 1.00 38.18 C +ATOM 1874 CG ASP A 255 89.529 68.437 12.044 1.00 40.15 C +ATOM 1875 OD1 ASP A 255 88.932 67.396 11.675 1.00 40.69 O +ATOM 1876 OD2 ASP A 255 89.621 69.580 11.487 1.00 41.67 O +ATOM 1877 N GLY A 256 93.639 67.377 14.306 1.00 33.75 N +ATOM 1878 CA GLY A 256 94.751 68.033 15.008 1.00 32.22 C +ATOM 1879 C GLY A 256 94.247 68.555 16.357 1.00 30.94 C +ATOM 1880 O GLY A 256 94.936 69.408 16.884 1.00 31.00 O +ATOM 1881 N LYS A 257 93.126 68.095 16.840 1.00 30.54 N +ATOM 1882 CA LYS A 257 92.554 68.494 18.140 1.00 29.83 C +ATOM 1883 C LYS A 257 92.015 67.269 18.859 1.00 28.35 C +ATOM 1884 O LYS A 257 91.795 66.274 18.199 1.00 28.09 O +ATOM 1885 CB LYS A 257 91.514 69.568 18.172 1.00 30.87 C +ATOM 1886 CG LYS A 257 92.213 70.862 17.704 1.00 32.73 C +ATOM 1887 CD LYS A 257 91.526 71.954 18.482 1.00 34.33 C +ATOM 1888 CE LYS A 257 91.115 73.204 17.716 1.00 35.77 C +ATOM 1889 NZ LYS A 257 90.279 74.052 18.657 1.00 36.23 N +ATOM 1890 N TYR A 258 91.910 67.371 20.174 1.00 27.82 N +ATOM 1891 CA TYR A 258 91.448 66.327 21.133 1.00 26.94 C +ATOM 1892 C TYR A 258 90.091 66.700 21.709 1.00 27.95 C +ATOM 1893 O TYR A 258 89.912 67.756 22.309 1.00 27.96 O +ATOM 1894 CB TYR A 258 92.470 66.079 22.295 1.00 24.02 C +ATOM 1895 CG TYR A 258 93.847 65.704 21.765 1.00 21.24 C +ATOM 1896 CD1 TYR A 258 94.800 66.668 21.395 1.00 19.24 C +ATOM 1897 CD2 TYR A 258 94.118 64.326 21.632 1.00 20.22 C +ATOM 1898 CE1 TYR A 258 96.005 66.196 20.904 1.00 18.67 C +ATOM 1899 CE2 TYR A 258 95.319 63.867 21.136 1.00 19.48 C +ATOM 1900 CZ TYR A 258 96.264 64.849 20.761 1.00 19.01 C +ATOM 1901 OH TYR A 258 97.453 64.408 20.233 1.00 18.45 O +ATOM 1902 N ASP A 259 89.154 65.841 21.497 1.00 30.22 N +ATOM 1903 CA ASP A 259 87.753 65.894 21.871 1.00 32.98 C +ATOM 1904 C ASP A 259 87.514 65.088 23.155 1.00 34.73 C +ATOM 1905 O ASP A 259 87.400 63.853 23.046 1.00 34.47 O +ATOM 1906 CB ASP A 259 86.988 65.243 20.668 1.00 33.52 C +ATOM 1907 CG ASP A 259 85.498 65.446 20.888 1.00 34.31 C +ATOM 1908 OD1 ASP A 259 85.190 66.354 21.707 1.00 34.88 O +ATOM 1909 OD2 ASP A 259 84.668 64.738 20.268 1.00 34.86 O +ATOM 1910 N LEU A 260 87.437 65.734 24.299 1.00 37.42 N +ATOM 1911 CA LEU A 260 87.226 64.977 25.562 1.00 39.96 C +ATOM 1912 C LEU A 260 85.798 64.490 25.739 1.00 42.01 C +ATOM 1913 O LEU A 260 85.502 63.731 26.684 1.00 42.68 O +ATOM 1914 CB LEU A 260 87.868 65.791 26.699 1.00 39.18 C +ATOM 1915 CG LEU A 260 89.386 65.831 26.652 1.00 39.05 C +ATOM 1916 CD1 LEU A 260 89.958 66.508 27.874 1.00 38.53 C +ATOM 1917 CD2 LEU A 260 89.894 64.399 26.671 1.00 39.47 C +ATOM 1918 N ASP A 261 84.917 64.860 24.830 1.00 44.59 N +ATOM 1919 CA ASP A 261 83.500 64.451 24.845 1.00 46.88 C +ATOM 1920 C ASP A 261 83.149 63.744 23.545 1.00 48.57 C +ATOM 1921 O ASP A 261 82.059 63.900 23.003 1.00 48.75 O +ATOM 1922 CB ASP A 261 82.684 65.705 25.100 1.00 47.47 C +ATOM 1923 CG ASP A 261 81.193 65.508 25.246 1.00 48.06 C +ATOM 1924 OD1 ASP A 261 80.844 64.407 25.740 1.00 48.48 O +ATOM 1925 OD2 ASP A 261 80.445 66.436 24.864 1.00 48.48 O +ATOM 1926 N PHE A 262 84.073 62.955 23.056 1.00 51.14 N +ATOM 1927 CA PHE A 262 84.045 62.166 21.828 1.00 53.50 C +ATOM 1928 C PHE A 262 82.870 61.184 21.782 1.00 55.75 C +ATOM 1929 O PHE A 262 82.723 60.523 20.727 1.00 55.96 O +ATOM 1930 CB PHE A 262 85.356 61.454 21.468 1.00 52.65 C +ATOM 1931 CG PHE A 262 85.769 60.211 22.180 1.00 52.06 C +ATOM 1932 CD1 PHE A 262 86.242 60.238 23.495 1.00 51.77 C +ATOM 1933 CD2 PHE A 262 85.700 58.979 21.544 1.00 51.99 C +ATOM 1934 CE1 PHE A 262 86.630 59.078 24.130 1.00 51.51 C +ATOM 1935 CE2 PHE A 262 86.088 57.777 22.179 1.00 51.72 C +ATOM 1936 CZ PHE A 262 86.565 57.845 23.485 1.00 51.35 C +ATOM 1937 N LYS A 263 82.095 61.082 22.839 1.00 58.60 N +ATOM 1938 CA LYS A 263 80.949 60.109 22.711 1.00 61.61 C +ATOM 1939 C LYS A 263 79.736 61.016 22.534 1.00 64.43 C +ATOM 1940 O LYS A 263 78.581 60.609 22.366 1.00 64.95 O +ATOM 1941 CB LYS A 263 81.076 59.036 23.764 1.00 60.71 C +ATOM 1942 CG LYS A 263 82.527 58.502 23.837 1.00 59.78 C +ATOM 1943 CD LYS A 263 82.716 57.395 24.834 1.00 59.29 C +ATOM 1944 CE LYS A 263 82.814 57.769 26.286 1.00 59.01 C +ATOM 1945 NZ LYS A 263 83.287 56.676 27.178 1.00 58.56 N +ATOM 1946 N ASN A 264 80.025 62.307 22.485 1.00 67.50 N +ATOM 1947 CA ASN A 264 79.249 63.524 22.296 1.00 70.60 C +ATOM 1948 C ASN A 264 77.759 63.329 22.067 1.00 72.10 C +ATOM 1949 O ASN A 264 77.100 63.486 23.119 1.00 72.53 O +ATOM 1950 CB ASN A 264 79.835 64.485 21.262 1.00 71.73 C +ATOM 1951 CG ASN A 264 80.121 64.036 19.845 1.00 72.73 C +ATOM 1952 OD1 ASN A 264 80.483 64.813 18.921 1.00 73.21 O +ATOM 1953 ND2 ASN A 264 79.965 62.731 19.539 1.00 73.10 N +ATOM 1954 N PRO A 265 77.251 63.079 20.886 1.00 73.39 N +ATOM 1955 CA PRO A 265 77.808 62.922 19.551 1.00 74.20 C +ATOM 1956 C PRO A 265 77.611 64.183 18.696 1.00 75.07 C +ATOM 1957 O PRO A 265 77.658 64.354 17.483 1.00 74.73 O +ATOM 1958 CB PRO A 265 77.079 61.710 18.998 1.00 74.05 C +ATOM 1959 CG PRO A 265 75.709 61.818 19.620 1.00 74.03 C +ATOM 1960 CD PRO A 265 75.792 62.883 20.713 1.00 73.81 C +ATOM 1961 N ASN A 266 77.404 65.208 19.466 1.00 76.57 N +ATOM 1962 CA ASN A 266 77.178 66.623 19.317 1.00 78.04 C +ATOM 1963 C ASN A 266 78.229 67.383 20.151 1.00 77.88 C +ATOM 1964 O ASN A 266 77.899 68.273 20.971 1.00 78.35 O +ATOM 1965 CB ASN A 266 75.806 66.862 19.966 1.00 79.88 C +ATOM 1966 CG ASN A 266 75.347 68.306 19.800 1.00 81.51 C +ATOM 1967 OD1 ASN A 266 74.284 68.657 20.385 1.00 82.45 O +ATOM 1968 ND2 ASN A 266 76.116 69.092 19.014 1.00 82.00 N +ATOM 1969 N SER A 267 79.470 66.974 19.981 1.00 77.21 N +ATOM 1970 CA SER A 267 80.627 67.533 20.697 1.00 76.26 C +ATOM 1971 C SER A 267 81.021 68.853 20.030 1.00 75.80 C +ATOM 1972 O SER A 267 81.335 68.937 18.830 1.00 75.97 O +ATOM 1973 CB SER A 267 81.764 66.523 20.772 1.00 75.92 C +ATOM 1974 OG SER A 267 82.928 67.024 21.370 1.00 75.53 O +ATOM 1975 N ASP A 268 80.980 69.877 20.867 1.00 74.96 N +ATOM 1976 CA ASP A 268 81.300 71.275 20.516 1.00 73.70 C +ATOM 1977 C ASP A 268 82.753 71.404 20.060 1.00 72.17 C +ATOM 1978 O ASP A 268 83.587 71.224 20.972 1.00 72.02 O +ATOM 1979 CB ASP A 268 80.971 72.125 21.756 1.00 74.16 C +ATOM 1980 CG ASP A 268 81.062 73.620 21.485 1.00 74.59 C +ATOM 1981 OD1 ASP A 268 81.529 73.928 20.354 1.00 74.77 O +ATOM 1982 OD2 ASP A 268 80.680 74.425 22.356 1.00 74.59 O +ATOM 1983 N LYS A 269 82.990 71.691 18.786 1.00 70.41 N +ATOM 1984 CA LYS A 269 84.393 71.793 18.359 1.00 68.81 C +ATOM 1985 C LYS A 269 84.984 73.046 19.012 1.00 66.64 C +ATOM 1986 O LYS A 269 86.200 73.255 18.880 1.00 66.64 O +ATOM 1987 CB LYS A 269 84.867 71.855 16.907 1.00 69.84 C +ATOM 1988 CG LYS A 269 86.404 71.711 16.862 1.00 70.81 C +ATOM 1989 CD LYS A 269 87.078 71.563 15.500 1.00 71.69 C +ATOM 1990 CE LYS A 269 88.600 71.520 15.648 1.00 72.07 C +ATOM 1991 NZ LYS A 269 89.379 71.807 14.416 1.00 72.41 N +ATOM 1992 N SER A 270 84.099 73.766 19.652 1.00 64.00 N +ATOM 1993 CA SER A 270 84.671 74.990 20.298 1.00 61.94 C +ATOM 1994 C SER A 270 85.539 74.558 21.477 1.00 59.65 C +ATOM 1995 O SER A 270 86.548 75.166 21.892 1.00 59.22 O +ATOM 1996 CB SER A 270 83.478 75.904 20.503 1.00 62.53 C +ATOM 1997 OG SER A 270 82.892 76.172 19.215 1.00 62.81 O +ATOM 1998 N LYS A 271 85.165 73.410 22.013 1.00 56.82 N +ATOM 1999 CA LYS A 271 85.746 72.703 23.149 1.00 53.73 C +ATOM 2000 C LYS A 271 86.866 71.711 22.933 1.00 50.66 C +ATOM 2001 O LYS A 271 87.432 71.203 23.943 1.00 50.96 O +ATOM 2002 CB LYS A 271 84.559 72.038 23.850 1.00 54.82 C +ATOM 2003 CG LYS A 271 83.393 73.052 23.793 1.00 56.08 C +ATOM 2004 CD LYS A 271 82.216 72.390 24.495 1.00 57.44 C +ATOM 2005 CE LYS A 271 81.511 73.245 25.530 1.00 58.20 C +ATOM 2006 NZ LYS A 271 80.427 72.454 26.214 1.00 59.01 N +ATOM 2007 N TRP A 272 87.262 71.392 21.727 1.00 46.45 N +ATOM 2008 CA TRP A 272 88.397 70.492 21.493 1.00 42.56 C +ATOM 2009 C TRP A 272 89.671 71.243 21.900 1.00 39.59 C +ATOM 2010 O TRP A 272 89.724 72.485 21.816 1.00 39.42 O +ATOM 2011 CB TRP A 272 88.453 70.053 20.041 1.00 42.95 C +ATOM 2012 CG TRP A 272 87.213 69.339 19.676 1.00 43.44 C +ATOM 2013 CD1 TRP A 272 86.069 69.206 20.429 1.00 43.65 C +ATOM 2014 CD2 TRP A 272 86.976 68.669 18.436 1.00 43.72 C +ATOM 2015 NE1 TRP A 272 85.137 68.466 19.731 1.00 43.87 N +ATOM 2016 CE2 TRP A 272 85.668 68.132 18.508 1.00 43.74 C +ATOM 2017 CE3 TRP A 272 87.746 68.485 17.293 1.00 43.94 C +ATOM 2018 CZ2 TRP A 272 85.122 67.420 17.456 1.00 43.87 C +ATOM 2019 CZ3 TRP A 272 87.209 67.761 16.250 1.00 43.74 C +ATOM 2020 CH2 TRP A 272 85.926 67.256 16.321 1.00 43.90 C +ATOM 2021 N LEU A 273 90.673 70.484 22.292 1.00 35.87 N +ATOM 2022 CA LEU A 273 91.951 70.956 22.752 1.00 32.72 C +ATOM 2023 C LEU A 273 93.109 70.630 21.838 1.00 31.38 C +ATOM 2024 O LEU A 273 93.162 69.550 21.240 1.00 31.59 O +ATOM 2025 CB LEU A 273 92.178 70.185 24.097 1.00 31.92 C +ATOM 2026 CG LEU A 273 91.129 70.307 25.193 1.00 31.09 C +ATOM 2027 CD1 LEU A 273 91.317 69.457 26.435 1.00 30.17 C +ATOM 2028 CD2 LEU A 273 91.207 71.776 25.633 1.00 31.04 C +ATOM 2029 N THR A 274 94.059 71.498 21.795 1.00 29.67 N +ATOM 2030 CA THR A 274 95.320 71.349 21.053 1.00 28.61 C +ATOM 2031 C THR A 274 96.254 70.585 22.000 1.00 28.05 C +ATOM 2032 O THR A 274 95.847 70.427 23.150 1.00 27.92 O +ATOM 2033 CB THR A 274 95.812 72.789 20.690 1.00 28.59 C +ATOM 2034 OG1 THR A 274 95.609 73.541 21.947 1.00 28.60 O +ATOM 2035 CG2 THR A 274 95.055 73.483 19.552 1.00 28.23 C +ATOM 2036 N GLY A 275 97.404 70.125 21.636 1.00 27.28 N +ATOM 2037 CA GLY A 275 98.401 69.399 22.351 1.00 27.23 C +ATOM 2038 C GLY A 275 98.638 70.145 23.679 1.00 27.75 C +ATOM 2039 O GLY A 275 98.349 69.581 24.752 1.00 27.04 O +ATOM 2040 N PRO A 276 99.114 71.370 23.499 1.00 27.88 N +ATOM 2041 CA PRO A 276 99.388 72.295 24.630 1.00 27.61 C +ATOM 2042 C PRO A 276 98.186 72.521 25.544 1.00 27.52 C +ATOM 2043 O PRO A 276 98.594 72.703 26.690 1.00 27.91 O +ATOM 2044 CB PRO A 276 99.952 73.574 24.010 1.00 26.97 C +ATOM 2045 CG PRO A 276 100.403 73.155 22.638 1.00 26.68 C +ATOM 2046 CD PRO A 276 99.488 72.001 22.217 1.00 27.57 C +ATOM 2047 N GLN A 277 96.918 72.529 25.227 1.00 27.22 N +ATOM 2048 CA GLN A 277 95.814 72.726 26.163 1.00 27.26 C +ATOM 2049 C GLN A 277 95.585 71.378 26.851 1.00 27.45 C +ATOM 2050 O GLN A 277 95.194 71.384 28.052 1.00 29.06 O +ATOM 2051 CB GLN A 277 94.481 73.191 25.597 1.00 27.12 C +ATOM 2052 CG GLN A 277 94.745 74.354 24.624 1.00 27.39 C +ATOM 2053 CD GLN A 277 93.549 74.865 23.893 1.00 27.59 C +ATOM 2054 OE1 GLN A 277 92.889 74.253 23.071 1.00 27.78 O +ATOM 2055 NE2 GLN A 277 93.215 76.139 24.148 1.00 28.34 N +ATOM 2056 N LEU A 278 95.858 70.316 26.115 1.00 26.13 N +ATOM 2057 CA LEU A 278 95.722 68.984 26.696 1.00 25.17 C +ATOM 2058 C LEU A 278 96.814 68.813 27.790 1.00 25.73 C +ATOM 2059 O LEU A 278 96.453 68.336 28.907 1.00 26.15 O +ATOM 2060 CB LEU A 278 95.570 67.939 25.630 1.00 23.93 C +ATOM 2061 CG LEU A 278 95.374 66.523 26.167 1.00 23.39 C +ATOM 2062 CD1 LEU A 278 94.128 66.503 27.028 1.00 23.37 C +ATOM 2063 CD2 LEU A 278 95.189 65.496 25.070 1.00 23.19 C +ATOM 2064 N ALA A 279 98.057 69.168 27.558 1.00 25.42 N +ATOM 2065 CA ALA A 279 99.214 69.141 28.419 1.00 25.57 C +ATOM 2066 C ALA A 279 98.764 69.825 29.747 1.00 26.08 C +ATOM 2067 O ALA A 279 99.071 69.233 30.786 1.00 25.50 O +ATOM 2068 CB ALA A 279 100.498 69.806 27.962 1.00 24.94 C +ATOM 2069 N ASP A 280 98.027 70.910 29.577 1.00 26.80 N +ATOM 2070 CA ASP A 280 97.478 71.713 30.669 1.00 27.74 C +ATOM 2071 C ASP A 280 96.438 70.985 31.523 1.00 27.05 C +ATOM 2072 O ASP A 280 96.477 71.194 32.743 1.00 26.83 O +ATOM 2073 CB ASP A 280 96.937 73.103 30.307 1.00 29.31 C +ATOM 2074 CG ASP A 280 98.070 74.087 30.035 1.00 31.07 C +ATOM 2075 OD1 ASP A 280 99.265 73.808 30.368 1.00 31.52 O +ATOM 2076 OD2 ASP A 280 97.755 75.143 29.428 1.00 32.87 O +ATOM 2077 N LEU A 281 95.584 70.225 30.908 1.00 26.50 N +ATOM 2078 CA LEU A 281 94.587 69.432 31.653 1.00 25.47 C +ATOM 2079 C LEU A 281 95.299 68.297 32.401 1.00 24.45 C +ATOM 2080 O LEU A 281 94.974 67.984 33.559 1.00 24.47 O +ATOM 2081 CB LEU A 281 93.552 69.018 30.660 1.00 26.17 C +ATOM 2082 CG LEU A 281 92.359 68.283 31.241 1.00 27.35 C +ATOM 2083 CD1 LEU A 281 91.441 68.063 30.045 1.00 27.97 C +ATOM 2084 CD2 LEU A 281 92.726 66.940 31.813 1.00 27.37 C +ATOM 2085 N TYR A 282 96.266 67.634 31.856 1.00 23.31 N +ATOM 2086 CA TYR A 282 97.030 66.593 32.517 1.00 21.81 C +ATOM 2087 C TYR A 282 97.813 67.249 33.651 1.00 21.87 C +ATOM 2088 O TYR A 282 97.913 66.583 34.661 1.00 22.20 O +ATOM 2089 CB TYR A 282 98.046 65.931 31.613 1.00 20.70 C +ATOM 2090 CG TYR A 282 97.357 65.155 30.508 1.00 20.37 C +ATOM 2091 CD1 TYR A 282 96.089 64.571 30.634 1.00 19.84 C +ATOM 2092 CD2 TYR A 282 98.062 65.021 29.313 1.00 19.96 C +ATOM 2093 CE1 TYR A 282 95.541 63.869 29.565 1.00 19.56 C +ATOM 2094 CE2 TYR A 282 97.530 64.328 28.244 1.00 19.19 C +ATOM 2095 CZ TYR A 282 96.283 63.769 28.385 1.00 19.45 C +ATOM 2096 OH TYR A 282 95.876 63.061 27.294 1.00 19.45 O +ATOM 2097 N HIS A 283 98.393 68.397 33.494 1.00 22.16 N +ATOM 2098 CA HIS A 283 99.170 69.026 34.591 1.00 23.49 C +ATOM 2099 C HIS A 283 98.327 69.207 35.867 1.00 22.44 C +ATOM 2100 O HIS A 283 98.810 68.990 36.967 1.00 21.78 O +ATOM 2101 CB HIS A 283 99.960 70.272 34.177 1.00 24.17 C +ATOM 2102 CG HIS A 283 101.300 69.911 33.604 1.00 25.59 C +ATOM 2103 ND1 HIS A 283 102.322 69.312 34.300 1.00 26.19 N +ATOM 2104 CD2 HIS A 283 101.817 70.123 32.349 1.00 26.09 C +ATOM 2105 CE1 HIS A 283 103.389 69.160 33.516 1.00 25.96 C +ATOM 2106 NE2 HIS A 283 103.121 69.629 32.315 1.00 26.10 N +ATOM 2107 N SER A 284 97.121 69.586 35.769 1.00 22.51 N +ATOM 2108 CA SER A 284 96.048 69.790 36.663 1.00 24.26 C +ATOM 2109 C SER A 284 95.708 68.534 37.513 1.00 24.88 C +ATOM 2110 O SER A 284 95.639 68.618 38.734 1.00 24.85 O +ATOM 2111 CB SER A 284 94.706 69.964 35.925 1.00 24.84 C +ATOM 2112 OG SER A 284 94.453 71.329 36.199 1.00 27.09 O +ATOM 2113 N LEU A 285 95.484 67.451 36.770 1.00 25.02 N +ATOM 2114 CA LEU A 285 95.183 66.120 37.303 1.00 24.68 C +ATOM 2115 C LEU A 285 96.356 65.593 38.123 1.00 24.97 C +ATOM 2116 O LEU A 285 96.166 65.053 39.191 1.00 25.17 O +ATOM 2117 CB LEU A 285 94.944 65.220 36.108 1.00 23.91 C +ATOM 2118 CG LEU A 285 93.607 65.458 35.440 1.00 23.89 C +ATOM 2119 CD1 LEU A 285 93.376 64.322 34.454 1.00 23.68 C +ATOM 2120 CD2 LEU A 285 92.483 65.528 36.492 1.00 23.53 C +ATOM 2121 N MET A 286 97.526 65.799 37.588 1.00 25.03 N +ATOM 2122 CA MET A 286 98.809 65.418 38.135 1.00 25.90 C +ATOM 2123 C MET A 286 99.050 66.133 39.468 1.00 26.05 C +ATOM 2124 O MET A 286 99.641 65.466 40.335 1.00 26.54 O +ATOM 2125 CB MET A 286 99.984 65.654 37.182 1.00 26.09 C +ATOM 2126 CG MET A 286 100.216 64.555 36.156 1.00 27.06 C +ATOM 2127 SD MET A 286 101.213 65.326 34.798 1.00 27.97 S +ATOM 2128 CE MET A 286 102.799 65.352 35.568 1.00 27.70 C +ATOM 2129 N LYS A 287 98.638 67.375 39.607 1.00 26.42 N +ATOM 2130 CA LYS A 287 98.797 68.140 40.849 1.00 26.57 C +ATOM 2131 C LYS A 287 97.795 67.672 41.923 1.00 25.87 C +ATOM 2132 O LYS A 287 98.179 67.660 43.095 1.00 26.29 O +ATOM 2133 CB LYS A 287 98.557 69.629 40.776 1.00 27.50 C +ATOM 2134 CG LYS A 287 99.681 70.366 40.031 1.00 29.17 C +ATOM 2135 CD LYS A 287 99.105 71.630 39.330 1.00 30.05 C +ATOM 2136 CE LYS A 287 100.312 72.363 38.705 1.00 30.40 C +ATOM 2137 NZ LYS A 287 101.450 71.840 39.517 1.00 30.83 N +ATOM 2138 N ARG A 288 96.589 67.339 41.555 1.00 24.76 N +ATOM 2139 CA ARG A 288 95.516 66.875 42.405 1.00 23.52 C +ATOM 2140 C ARG A 288 95.562 65.385 42.767 1.00 22.05 C +ATOM 2141 O ARG A 288 95.058 65.120 43.908 1.00 22.42 O +ATOM 2142 CB ARG A 288 94.175 67.179 41.772 1.00 24.60 C +ATOM 2143 CG ARG A 288 93.508 68.498 41.942 1.00 26.85 C +ATOM 2144 CD ARG A 288 92.050 68.380 41.689 1.00 28.95 C +ATOM 2145 NE ARG A 288 91.151 67.830 42.692 1.00 30.87 N +ATOM 2146 CZ ARG A 288 89.797 67.756 42.665 1.00 31.79 C +ATOM 2147 NH1 ARG A 288 89.115 68.236 41.599 1.00 32.62 N +ATOM 2148 NH2 ARG A 288 89.001 67.234 43.635 1.00 32.18 N +ATOM 2149 N TYR A 289 96.077 64.474 41.934 1.00 19.30 N +ATOM 2150 CA TYR A 289 96.038 63.051 42.275 1.00 17.24 C +ATOM 2151 C TYR A 289 97.395 62.447 42.227 1.00 17.30 C +ATOM 2152 O TYR A 289 98.273 63.082 41.573 1.00 18.14 O +ATOM 2153 CB TYR A 289 95.028 62.401 41.334 1.00 16.64 C +ATOM 2154 CG TYR A 289 93.654 63.021 41.338 1.00 16.82 C +ATOM 2155 CD1 TYR A 289 92.696 62.722 42.323 1.00 16.82 C +ATOM 2156 CD2 TYR A 289 93.250 63.920 40.324 1.00 16.83 C +ATOM 2157 CE1 TYR A 289 91.417 63.317 42.286 1.00 16.71 C +ATOM 2158 CE2 TYR A 289 91.981 64.496 40.242 1.00 16.55 C +ATOM 2159 CZ TYR A 289 91.087 64.192 41.251 1.00 16.69 C +ATOM 2160 OH TYR A 289 89.852 64.754 41.213 1.00 16.74 O +ATOM 2161 N PRO A 290 97.594 61.351 42.950 1.00 16.85 N +ATOM 2162 CA PRO A 290 98.892 60.671 42.995 1.00 16.69 C +ATOM 2163 C PRO A 290 99.238 59.935 41.707 1.00 16.88 C +ATOM 2164 O PRO A 290 99.624 58.754 41.788 1.00 16.44 O +ATOM 2165 CB PRO A 290 98.855 59.750 44.256 1.00 15.60 C +ATOM 2166 CG PRO A 290 97.396 59.356 44.236 1.00 15.49 C +ATOM 2167 CD PRO A 290 96.611 60.592 43.766 1.00 16.13 C +ATOM 2168 N ILE A 291 99.199 60.572 40.538 1.00 17.83 N +ATOM 2169 CA ILE A 291 99.533 59.896 39.254 1.00 17.22 C +ATOM 2170 C ILE A 291 101.014 59.746 39.037 1.00 17.24 C +ATOM 2171 O ILE A 291 101.748 60.768 39.108 1.00 17.73 O +ATOM 2172 CB ILE A 291 98.823 60.748 38.143 1.00 17.41 C +ATOM 2173 CG1 ILE A 291 97.303 60.688 38.464 1.00 16.82 C +ATOM 2174 CG2 ILE A 291 99.173 60.330 36.694 1.00 17.12 C +ATOM 2175 CD1 ILE A 291 96.654 61.859 37.674 1.00 16.91 C +ATOM 2176 N VAL A 292 101.506 58.537 38.806 1.00 17.01 N +ATOM 2177 CA VAL A 292 102.956 58.353 38.566 1.00 17.29 C +ATOM 2178 C VAL A 292 103.327 57.852 37.143 1.00 16.70 C +ATOM 2179 O VAL A 292 104.528 57.702 36.894 1.00 16.33 O +ATOM 2180 CB VAL A 292 103.531 57.294 39.540 1.00 17.24 C +ATOM 2181 CG1 VAL A 292 103.640 57.964 40.886 1.00 18.69 C +ATOM 2182 CG2 VAL A 292 102.676 56.043 39.524 1.00 17.30 C +ATOM 2183 N SER A 293 102.357 57.507 36.328 1.00 16.35 N +ATOM 2184 CA SER A 293 102.554 57.014 34.973 1.00 16.52 C +ATOM 2185 C SER A 293 101.392 57.495 34.078 1.00 16.89 C +ATOM 2186 O SER A 293 100.266 57.369 34.568 1.00 17.08 O +ATOM 2187 CB SER A 293 102.656 55.492 34.980 1.00 16.08 C +ATOM 2188 OG SER A 293 103.199 54.939 33.787 1.00 15.14 O +ATOM 2189 N ILE A 294 101.657 58.028 32.880 1.00 16.54 N +ATOM 2190 CA ILE A 294 100.620 58.396 31.889 1.00 15.89 C +ATOM 2191 C ILE A 294 101.094 57.706 30.576 1.00 14.45 C +ATOM 2192 O ILE A 294 102.198 57.876 30.108 1.00 13.01 O +ATOM 2193 CB ILE A 294 100.187 59.865 31.613 1.00 16.67 C +ATOM 2194 CG1 ILE A 294 99.702 60.504 32.971 1.00 17.76 C +ATOM 2195 CG2 ILE A 294 98.959 60.105 30.674 1.00 16.25 C +ATOM 2196 CD1 ILE A 294 99.045 61.899 32.647 1.00 18.31 C +ATOM 2197 N GLU A 295 100.260 56.863 30.012 1.00 14.40 N +ATOM 2198 CA GLU A 295 100.379 56.077 28.789 1.00 13.59 C +ATOM 2199 C GLU A 295 99.596 56.715 27.670 1.00 13.31 C +ATOM 2200 O GLU A 295 98.434 57.106 27.899 1.00 13.09 O +ATOM 2201 CB GLU A 295 99.937 54.613 28.923 1.00 14.68 C +ATOM 2202 CG GLU A 295 100.257 53.658 27.769 1.00 15.72 C +ATOM 2203 CD GLU A 295 99.545 52.361 27.856 1.00 17.00 C +ATOM 2204 OE1 GLU A 295 99.396 51.854 28.993 1.00 17.19 O +ATOM 2205 OE2 GLU A 295 99.150 51.776 26.863 1.00 18.17 O +ATOM 2206 N ASP A 296 100.232 56.868 26.497 1.00 13.43 N +ATOM 2207 CA ASP A 296 99.582 57.510 25.325 1.00 12.95 C +ATOM 2208 C ASP A 296 98.762 58.792 25.601 1.00 11.95 C +ATOM 2209 O ASP A 296 97.563 58.857 25.267 1.00 12.85 O +ATOM 2210 CB ASP A 296 98.681 56.514 24.594 1.00 12.11 C +ATOM 2211 CG ASP A 296 99.440 55.469 23.803 1.00 11.89 C +ATOM 2212 OD1 ASP A 296 100.639 55.644 23.730 1.00 11.19 O +ATOM 2213 OD2 ASP A 296 98.777 54.483 23.401 1.00 12.60 O +ATOM 2214 N PRO A 297 99.419 59.756 26.184 1.00 11.56 N +ATOM 2215 CA PRO A 297 98.759 61.014 26.523 1.00 11.47 C +ATOM 2216 C PRO A 297 98.387 61.776 25.282 1.00 13.32 C +ATOM 2217 O PRO A 297 97.426 62.603 25.307 1.00 13.36 O +ATOM 2218 CB PRO A 297 99.802 61.665 27.442 1.00 10.55 C +ATOM 2219 CG PRO A 297 101.078 61.175 26.837 1.00 10.63 C +ATOM 2220 CD PRO A 297 100.872 59.671 26.600 1.00 10.17 C +ATOM 2221 N PHE A 298 99.105 61.622 24.178 1.00 15.66 N +ATOM 2222 CA PHE A 298 98.879 62.261 22.835 1.00 16.84 C +ATOM 2223 C PHE A 298 98.764 61.163 21.763 1.00 17.90 C +ATOM 2224 O PHE A 298 99.239 60.010 22.028 1.00 17.89 O +ATOM 2225 CB PHE A 298 99.916 63.307 22.476 1.00 16.44 C +ATOM 2226 CG PHE A 298 100.040 64.287 23.598 1.00 16.48 C +ATOM 2227 CD1 PHE A 298 99.148 65.323 23.726 1.00 16.30 C +ATOM 2228 CD2 PHE A 298 101.062 64.098 24.564 1.00 16.86 C +ATOM 2229 CE1 PHE A 298 99.259 66.214 24.835 1.00 15.95 C +ATOM 2230 CE2 PHE A 298 101.147 64.968 25.659 1.00 16.34 C +ATOM 2231 CZ PHE A 298 100.217 66.020 25.797 1.00 15.60 C +ATOM 2232 N ALA A 299 98.234 61.529 20.583 1.00 18.92 N +ATOM 2233 CA ALA A 299 98.025 60.524 19.468 1.00 19.43 C +ATOM 2234 C ALA A 299 99.315 59.955 18.877 1.00 19.64 C +ATOM 2235 O ALA A 299 100.378 60.551 18.933 1.00 17.94 O +ATOM 2236 CB ALA A 299 97.021 61.052 18.458 1.00 18.38 C +ATOM 2237 N GLU A 300 99.199 58.781 18.302 1.00 22.39 N +ATOM 2238 CA GLU A 300 100.318 58.022 17.757 1.00 25.63 C +ATOM 2239 C GLU A 300 101.212 58.730 16.758 1.00 26.63 C +ATOM 2240 O GLU A 300 102.325 58.197 16.593 1.00 26.64 O +ATOM 2241 CB GLU A 300 99.959 56.628 17.261 1.00 27.50 C +ATOM 2242 CG GLU A 300 99.314 56.610 15.860 1.00 30.00 C +ATOM 2243 CD GLU A 300 97.981 55.923 15.820 1.00 31.78 C +ATOM 2244 OE1 GLU A 300 98.044 54.669 15.895 1.00 32.41 O +ATOM 2245 OE2 GLU A 300 96.944 56.611 15.728 1.00 32.95 O +ATOM 2246 N ASP A 301 100.818 59.832 16.138 1.00 27.76 N +ATOM 2247 CA ASP A 301 101.770 60.506 15.224 1.00 28.92 C +ATOM 2248 C ASP A 301 101.869 61.963 15.653 1.00 28.46 C +ATOM 2249 O ASP A 301 102.471 62.735 14.878 1.00 28.84 O +ATOM 2250 CB ASP A 301 101.448 60.235 13.747 1.00 30.79 C +ATOM 2251 CG ASP A 301 102.101 58.889 13.369 1.00 32.55 C +ATOM 2252 OD1 ASP A 301 103.367 58.825 13.340 1.00 33.15 O +ATOM 2253 OD2 ASP A 301 101.406 57.844 13.164 1.00 33.81 O +ATOM 2254 N ASP A 302 101.335 62.285 16.857 1.00 26.70 N +ATOM 2255 CA ASP A 302 101.444 63.707 17.264 1.00 24.98 C +ATOM 2256 C ASP A 302 102.733 63.955 18.017 1.00 24.96 C +ATOM 2257 O ASP A 302 102.631 64.325 19.183 1.00 25.19 O +ATOM 2258 CB ASP A 302 100.132 64.121 17.887 1.00 22.90 C +ATOM 2259 CG ASP A 302 100.027 65.605 18.142 1.00 21.54 C +ATOM 2260 OD1 ASP A 302 100.944 66.425 17.874 1.00 20.74 O +ATOM 2261 OD2 ASP A 302 98.942 65.923 18.648 1.00 20.82 O +ATOM 2262 N TRP A 303 103.871 63.816 17.346 1.00 25.19 N +ATOM 2263 CA TRP A 303 105.224 63.935 17.864 1.00 24.91 C +ATOM 2264 C TRP A 303 105.506 65.213 18.638 1.00 25.82 C +ATOM 2265 O TRP A 303 106.094 65.068 19.753 1.00 26.12 O +ATOM 2266 CB TRP A 303 106.278 63.607 16.840 1.00 24.72 C +ATOM 2267 CG TRP A 303 106.292 62.244 16.293 1.00 24.79 C +ATOM 2268 CD1 TRP A 303 105.796 61.866 15.074 1.00 25.21 C +ATOM 2269 CD2 TRP A 303 106.824 61.034 16.851 1.00 24.51 C +ATOM 2270 NE1 TRP A 303 105.970 60.513 14.827 1.00 24.90 N +ATOM 2271 CE2 TRP A 303 106.569 59.985 15.929 1.00 24.74 C +ATOM 2272 CE3 TRP A 303 107.458 60.749 18.049 1.00 23.98 C +ATOM 2273 CZ2 TRP A 303 106.919 58.649 16.150 1.00 24.51 C +ATOM 2274 CZ3 TRP A 303 107.814 59.459 18.260 1.00 23.39 C +ATOM 2275 CH2 TRP A 303 107.581 58.430 17.362 1.00 24.01 C +ATOM 2276 N GLU A 304 105.160 66.372 18.119 1.00 25.38 N +ATOM 2277 CA GLU A 304 105.348 67.611 18.828 1.00 25.96 C +ATOM 2278 C GLU A 304 104.554 67.686 20.137 1.00 24.04 C +ATOM 2279 O GLU A 304 105.044 68.384 21.021 1.00 23.66 O +ATOM 2280 CB GLU A 304 104.824 68.823 18.029 1.00 29.06 C +ATOM 2281 CG GLU A 304 105.277 68.997 16.583 1.00 32.75 C +ATOM 2282 CD GLU A 304 106.380 70.004 16.252 1.00 34.94 C +ATOM 2283 OE1 GLU A 304 105.969 71.235 16.180 1.00 35.35 O +ATOM 2284 OE2 GLU A 304 107.559 69.583 16.062 1.00 35.92 O +ATOM 2285 N ALA A 305 103.376 67.133 20.337 1.00 22.54 N +ATOM 2286 CA ALA A 305 102.654 67.216 21.641 1.00 20.96 C +ATOM 2287 C ALA A 305 103.432 66.366 22.670 1.00 20.83 C +ATOM 2288 O ALA A 305 103.680 66.790 23.828 1.00 21.30 O +ATOM 2289 CB ALA A 305 101.202 66.918 21.526 1.00 19.53 C +ATOM 2290 N TRP A 306 103.907 65.208 22.287 1.00 20.21 N +ATOM 2291 CA TRP A 306 104.703 64.349 23.140 1.00 20.45 C +ATOM 2292 C TRP A 306 105.916 65.102 23.689 1.00 21.57 C +ATOM 2293 O TRP A 306 106.093 65.189 24.913 1.00 21.58 O +ATOM 2294 CB TRP A 306 105.172 63.023 22.544 1.00 18.98 C +ATOM 2295 CG TRP A 306 104.079 62.022 22.352 1.00 18.66 C +ATOM 2296 CD1 TRP A 306 103.125 62.087 21.368 1.00 18.99 C +ATOM 2297 CD2 TRP A 306 103.728 60.862 23.091 1.00 18.58 C +ATOM 2298 NE1 TRP A 306 102.266 61.047 21.390 1.00 18.92 N +ATOM 2299 CE2 TRP A 306 102.623 60.247 22.425 1.00 18.90 C +ATOM 2300 CE3 TRP A 306 104.281 60.207 24.184 1.00 18.48 C +ATOM 2301 CZ2 TRP A 306 102.041 59.062 22.847 1.00 18.58 C +ATOM 2302 CZ3 TRP A 306 103.756 58.999 24.551 1.00 17.97 C +ATOM 2303 CH2 TRP A 306 102.661 58.438 23.923 1.00 18.14 C +ATOM 2304 N SER A 307 106.765 65.528 22.765 1.00 22.60 N +ATOM 2305 CA SER A 307 107.957 66.253 23.128 1.00 23.87 C +ATOM 2306 C SER A 307 107.773 67.431 24.069 1.00 24.41 C +ATOM 2307 O SER A 307 108.613 67.603 24.965 1.00 24.34 O +ATOM 2308 CB SER A 307 108.627 66.772 21.825 1.00 23.64 C +ATOM 2309 OG SER A 307 108.906 65.465 21.292 1.00 25.05 O +ATOM 2310 N HIS A 308 106.814 68.245 23.760 1.00 25.33 N +ATOM 2311 CA HIS A 308 106.520 69.474 24.525 1.00 26.57 C +ATOM 2312 C HIS A 308 106.175 69.145 25.984 1.00 26.02 C +ATOM 2313 O HIS A 308 106.745 69.734 26.919 1.00 26.45 O +ATOM 2314 CB HIS A 308 105.395 70.247 23.805 1.00 28.23 C +ATOM 2315 CG HIS A 308 104.746 71.336 24.627 1.00 30.06 C +ATOM 2316 ND1 HIS A 308 103.483 71.199 25.229 1.00 30.96 N +ATOM 2317 CD2 HIS A 308 105.161 72.599 24.931 1.00 30.36 C +ATOM 2318 CE1 HIS A 308 103.148 72.307 25.881 1.00 30.74 C +ATOM 2319 NE2 HIS A 308 104.156 73.148 25.714 1.00 30.94 N +ATOM 2320 N PHE A 309 105.227 68.247 26.076 1.00 24.91 N +ATOM 2321 CA PHE A 309 104.693 67.715 27.300 1.00 24.48 C +ATOM 2322 C PHE A 309 105.799 67.082 28.154 1.00 23.91 C +ATOM 2323 O PHE A 309 105.910 67.387 29.324 1.00 23.78 O +ATOM 2324 CB PHE A 309 103.634 66.631 27.070 1.00 23.99 C +ATOM 2325 CG PHE A 309 103.028 66.207 28.370 1.00 24.08 C +ATOM 2326 CD1 PHE A 309 102.558 67.168 29.264 1.00 23.58 C +ATOM 2327 CD2 PHE A 309 102.924 64.852 28.702 1.00 24.23 C +ATOM 2328 CE1 PHE A 309 101.983 66.783 30.455 1.00 23.95 C +ATOM 2329 CE2 PHE A 309 102.367 64.422 29.930 1.00 24.28 C +ATOM 2330 CZ PHE A 309 101.891 65.429 30.799 1.00 24.43 C +ATOM 2331 N PHE A 310 106.541 66.224 27.559 1.00 23.93 N +ATOM 2332 CA PHE A 310 107.615 65.440 28.081 1.00 24.78 C +ATOM 2333 C PHE A 310 108.669 66.305 28.796 1.00 26.79 C +ATOM 2334 O PHE A 310 109.364 65.787 29.690 1.00 27.39 O +ATOM 2335 CB PHE A 310 108.378 64.677 27.014 1.00 23.26 C +ATOM 2336 CG PHE A 310 109.391 63.821 27.741 1.00 21.55 C +ATOM 2337 CD1 PHE A 310 108.923 62.688 28.373 1.00 21.11 C +ATOM 2338 CD2 PHE A 310 110.714 64.157 27.759 1.00 20.92 C +ATOM 2339 CE1 PHE A 310 109.826 61.872 29.027 1.00 20.91 C +ATOM 2340 CE2 PHE A 310 111.611 63.336 28.427 1.00 20.56 C +ATOM 2341 CZ PHE A 310 111.174 62.186 29.075 1.00 20.12 C +ATOM 2342 N LYS A 311 108.724 67.517 28.328 1.00 28.09 N +ATOM 2343 CA LYS A 311 109.642 68.499 28.884 1.00 30.45 C +ATOM 2344 C LYS A 311 109.401 68.890 30.336 1.00 29.89 C +ATOM 2345 O LYS A 311 110.256 69.140 31.172 1.00 30.41 O +ATOM 2346 CB LYS A 311 109.520 69.750 28.000 1.00 32.22 C +ATOM 2347 CG LYS A 311 110.877 69.752 27.268 1.00 34.55 C +ATOM 2348 CD LYS A 311 110.760 70.925 26.287 1.00 37.06 C +ATOM 2349 CE LYS A 311 111.403 70.513 24.947 1.00 38.51 C +ATOM 2350 NZ LYS A 311 110.668 71.329 23.885 1.00 40.07 N +ATOM 2351 N THR A 312 108.214 68.986 30.757 1.00 29.54 N +ATOM 2352 CA THR A 312 107.698 69.333 32.051 1.00 30.00 C +ATOM 2353 C THR A 312 106.934 68.171 32.622 1.00 29.42 C +ATOM 2354 O THR A 312 106.201 68.488 33.565 1.00 30.71 O +ATOM 2355 CB THR A 312 106.654 70.466 31.622 1.00 30.80 C +ATOM 2356 OG1 THR A 312 105.447 69.863 31.022 1.00 31.60 O +ATOM 2357 CG2 THR A 312 107.399 71.355 30.610 1.00 31.83 C +ATOM 2358 N ALA A 313 106.997 66.967 32.111 1.00 28.57 N +ATOM 2359 CA ALA A 313 106.104 65.957 32.713 1.00 27.48 C +ATOM 2360 C ALA A 313 106.617 65.638 34.100 1.00 26.46 C +ATOM 2361 O ALA A 313 105.821 65.862 35.030 1.00 26.92 O +ATOM 2362 CB ALA A 313 105.888 64.795 31.784 1.00 27.59 C +ATOM 2363 N GLY A 314 107.822 65.162 34.213 1.00 25.06 N +ATOM 2364 CA GLY A 314 108.311 64.830 35.553 1.00 25.25 C +ATOM 2365 C GLY A 314 107.786 63.509 36.141 1.00 24.99 C +ATOM 2366 O GLY A 314 107.955 63.220 37.359 1.00 26.02 O +ATOM 2367 N ILE A 315 107.062 62.687 35.430 1.00 23.40 N +ATOM 2368 CA ILE A 315 106.518 61.393 35.766 1.00 21.06 C +ATOM 2369 C ILE A 315 106.836 60.471 34.558 1.00 20.26 C +ATOM 2370 O ILE A 315 107.375 60.950 33.529 1.00 19.47 O +ATOM 2371 CB ILE A 315 105.006 61.360 36.097 1.00 20.56 C +ATOM 2372 CG1 ILE A 315 104.176 61.829 34.883 1.00 19.77 C +ATOM 2373 CG2 ILE A 315 104.695 62.071 37.412 1.00 20.10 C +ATOM 2374 CD1 ILE A 315 102.679 61.619 35.189 1.00 19.37 C +ATOM 2375 N GLN A 316 106.532 59.209 34.723 1.00 18.69 N +ATOM 2376 CA GLN A 316 106.782 58.252 33.656 1.00 17.66 C +ATOM 2377 C GLN A 316 105.720 58.414 32.565 1.00 17.61 C +ATOM 2378 O GLN A 316 104.509 58.527 32.797 1.00 16.67 O +ATOM 2379 CB GLN A 316 106.861 56.885 34.269 1.00 17.60 C +ATOM 2380 CG GLN A 316 107.080 55.891 33.163 1.00 16.98 C +ATOM 2381 CD GLN A 316 106.945 54.486 33.630 1.00 16.28 C +ATOM 2382 OE1 GLN A 316 108.013 53.981 33.819 1.00 16.97 O +ATOM 2383 NE2 GLN A 316 105.809 53.930 33.831 1.00 15.94 N +ATOM 2384 N ILE A 317 106.264 58.493 31.346 1.00 18.42 N +ATOM 2385 CA ILE A 317 105.397 58.664 30.153 1.00 19.46 C +ATOM 2386 C ILE A 317 105.573 57.428 29.274 1.00 18.83 C +ATOM 2387 O ILE A 317 106.708 57.237 28.825 1.00 19.92 O +ATOM 2388 CB ILE A 317 105.567 60.051 29.425 1.00 20.41 C +ATOM 2389 CG1 ILE A 317 104.791 61.155 30.190 1.00 20.31 C +ATOM 2390 CG2 ILE A 317 104.965 59.875 27.976 1.00 20.09 C +ATOM 2391 CD1 ILE A 317 105.485 62.070 31.152 1.00 20.46 C +ATOM 2392 N VAL A 318 104.510 56.689 29.102 1.00 18.14 N +ATOM 2393 CA VAL A 318 104.625 55.428 28.377 1.00 18.32 C +ATOM 2394 C VAL A 318 104.130 55.524 26.929 1.00 18.30 C +ATOM 2395 O VAL A 318 103.015 55.996 26.691 1.00 17.42 O +ATOM 2396 CB VAL A 318 103.927 54.305 29.210 1.00 18.22 C +ATOM 2397 CG1 VAL A 318 104.051 52.866 28.708 1.00 17.83 C +ATOM 2398 CG2 VAL A 318 104.445 54.264 30.655 1.00 17.91 C +ATOM 2399 N ALA A 319 105.019 55.015 26.079 1.00 17.76 N +ATOM 2400 CA ALA A 319 104.604 55.004 24.651 1.00 18.45 C +ATOM 2401 C ALA A 319 104.036 53.610 24.405 1.00 18.80 C +ATOM 2402 O ALA A 319 104.691 52.598 24.744 1.00 18.71 O +ATOM 2403 CB ALA A 319 105.715 55.443 23.741 1.00 17.67 C +ATOM 2404 N ASP A 320 102.832 53.597 23.896 1.00 19.69 N +ATOM 2405 CA ASP A 320 102.196 52.281 23.574 1.00 21.57 C +ATOM 2406 C ASP A 320 101.871 52.329 22.051 1.00 21.24 C +ATOM 2407 O ASP A 320 102.649 51.728 21.299 1.00 20.67 O +ATOM 2408 CB ASP A 320 101.081 51.924 24.540 1.00 23.00 C +ATOM 2409 CG ASP A 320 100.176 50.845 23.954 1.00 25.04 C +ATOM 2410 OD1 ASP A 320 100.554 50.171 22.930 1.00 25.94 O +ATOM 2411 OD2 ASP A 320 99.039 50.626 24.472 1.00 25.88 O +ATOM 2412 N ASP A 321 100.848 53.021 21.643 1.00 21.66 N +ATOM 2413 CA ASP A 321 100.421 53.185 20.251 1.00 23.14 C +ATOM 2414 C ASP A 321 101.435 54.028 19.445 1.00 23.69 C +ATOM 2415 O ASP A 321 101.392 53.860 18.234 1.00 24.55 O +ATOM 2416 CB ASP A 321 99.091 53.874 19.981 1.00 23.38 C +ATOM 2417 CG ASP A 321 97.935 52.991 20.420 1.00 24.26 C +ATOM 2418 OD1 ASP A 321 98.171 51.787 20.555 1.00 24.35 O +ATOM 2419 OD2 ASP A 321 96.816 53.542 20.613 1.00 25.34 O +ATOM 2420 N LEU A 322 102.198 54.874 20.098 1.00 23.48 N +ATOM 2421 CA LEU A 322 103.172 55.656 19.397 1.00 22.55 C +ATOM 2422 C LEU A 322 104.299 54.797 18.862 1.00 22.91 C +ATOM 2423 O LEU A 322 104.967 55.185 17.876 1.00 23.90 O +ATOM 2424 CB LEU A 322 103.793 56.672 20.405 1.00 22.31 C +ATOM 2425 CG LEU A 322 104.766 57.689 19.753 1.00 21.62 C +ATOM 2426 CD1 LEU A 322 104.009 58.787 18.979 1.00 20.82 C +ATOM 2427 CD2 LEU A 322 105.681 58.300 20.799 1.00 21.25 C +ATOM 2428 N THR A 323 104.729 53.754 19.516 1.00 22.68 N +ATOM 2429 CA THR A 323 105.850 52.888 19.235 1.00 21.71 C +ATOM 2430 C THR A 323 105.520 51.471 18.757 1.00 22.59 C +ATOM 2431 O THR A 323 106.410 50.828 18.096 1.00 21.28 O +ATOM 2432 CB THR A 323 106.776 52.787 20.528 1.00 21.48 C +ATOM 2433 OG1 THR A 323 105.911 52.473 21.658 1.00 20.70 O +ATOM 2434 CG2 THR A 323 107.627 54.023 20.763 1.00 21.47 C +ATOM 2435 N VAL A 324 104.303 51.083 19.121 1.00 23.00 N +ATOM 2436 CA VAL A 324 103.815 49.747 18.769 1.00 24.99 C +ATOM 2437 C VAL A 324 104.935 48.704 18.800 1.00 25.83 C +ATOM 2438 O VAL A 324 105.045 47.868 17.877 1.00 26.03 O +ATOM 2439 CB VAL A 324 103.058 49.817 17.433 1.00 25.62 C +ATOM 2440 CG1 VAL A 324 101.744 50.600 17.528 1.00 25.83 C +ATOM 2441 CG2 VAL A 324 103.946 50.419 16.308 1.00 26.07 C +ATOM 2442 N THR A 325 105.746 48.659 19.846 1.00 26.58 N +ATOM 2443 CA THR A 325 106.852 47.708 20.069 1.00 27.33 C +ATOM 2444 C THR A 325 107.746 47.623 18.829 1.00 29.50 C +ATOM 2445 O THR A 325 108.555 46.699 18.577 1.00 30.39 O +ATOM 2446 CB THR A 325 106.325 46.318 20.600 1.00 26.31 C +ATOM 2447 OG1 THR A 325 105.267 46.604 21.546 1.00 24.93 O +ATOM 2448 CG2 THR A 325 107.232 45.302 21.324 1.00 25.90 C +ATOM 2449 N ASN A 326 107.753 48.630 17.992 1.00 31.37 N +ATOM 2450 CA ASN A 326 108.536 48.717 16.763 1.00 32.75 C +ATOM 2451 C ASN A 326 109.791 49.520 17.021 1.00 33.40 C +ATOM 2452 O ASN A 326 109.680 50.728 17.314 1.00 33.99 O +ATOM 2453 CB ASN A 326 107.663 49.407 15.693 1.00 33.75 C +ATOM 2454 CG ASN A 326 108.235 49.288 14.296 1.00 34.22 C +ATOM 2455 OD1 ASN A 326 107.612 49.896 13.411 1.00 35.45 O +ATOM 2456 ND2 ASN A 326 109.310 48.538 14.167 1.00 34.02 N +ATOM 2457 N PRO A 327 110.921 48.857 16.883 1.00 34.06 N +ATOM 2458 CA PRO A 327 112.248 49.528 17.073 1.00 33.66 C +ATOM 2459 C PRO A 327 112.490 50.730 16.160 1.00 33.13 C +ATOM 2460 O PRO A 327 113.107 51.723 16.636 1.00 32.94 O +ATOM 2461 CB PRO A 327 113.182 48.348 17.051 1.00 33.85 C +ATOM 2462 CG PRO A 327 112.304 47.140 17.404 1.00 33.96 C +ATOM 2463 CD PRO A 327 111.062 47.413 16.544 1.00 33.87 C +ATOM 2464 N LYS A 328 112.025 50.799 14.929 1.00 32.64 N +ATOM 2465 CA LYS A 328 112.196 51.966 14.063 1.00 32.21 C +ATOM 2466 C LYS A 328 111.396 53.013 14.834 1.00 30.65 C +ATOM 2467 O LYS A 328 111.985 54.088 15.019 1.00 30.39 O +ATOM 2468 CB LYS A 328 111.711 52.027 12.614 1.00 34.62 C +ATOM 2469 CG LYS A 328 110.250 52.338 12.405 1.00 36.90 C +ATOM 2470 CD LYS A 328 109.303 51.843 11.346 1.00 38.99 C +ATOM 2471 CE LYS A 328 109.106 50.390 10.947 1.00 40.07 C +ATOM 2472 NZ LYS A 328 107.869 50.112 10.112 1.00 40.56 N +ATOM 2473 N ARG A 329 110.190 52.673 15.247 1.00 29.33 N +ATOM 2474 CA ARG A 329 109.319 53.614 16.020 1.00 27.59 C +ATOM 2475 C ARG A 329 109.903 53.965 17.375 1.00 26.53 C +ATOM 2476 O ARG A 329 109.802 55.085 17.846 1.00 25.94 O +ATOM 2477 CB ARG A 329 107.910 53.071 15.961 1.00 28.13 C +ATOM 2478 CG ARG A 329 107.314 53.242 14.590 1.00 28.81 C +ATOM 2479 CD ARG A 329 105.885 53.132 14.493 1.00 29.88 C +ATOM 2480 NE ARG A 329 105.042 54.189 14.861 1.00 31.44 N +ATOM 2481 CZ ARG A 329 104.568 55.380 14.634 1.00 32.55 C +ATOM 2482 NH1 ARG A 329 105.073 55.978 13.549 1.00 34.19 N +ATOM 2483 NH2 ARG A 329 103.662 56.180 15.190 1.00 32.48 N +ATOM 2484 N ILE A 330 110.631 53.087 18.017 1.00 26.24 N +ATOM 2485 CA ILE A 330 111.303 53.277 19.289 1.00 26.34 C +ATOM 2486 C ILE A 330 112.438 54.262 19.111 1.00 26.23 C +ATOM 2487 O ILE A 330 112.552 55.234 19.880 1.00 27.50 O +ATOM 2488 CB ILE A 330 111.736 51.945 19.985 1.00 26.56 C +ATOM 2489 CG1 ILE A 330 110.531 51.053 20.359 1.00 26.97 C +ATOM 2490 CG2 ILE A 330 112.619 52.261 21.240 1.00 26.94 C +ATOM 2491 CD1 ILE A 330 110.890 49.635 20.888 1.00 26.78 C +ATOM 2492 N ALA A 331 113.289 54.112 18.144 1.00 25.80 N +ATOM 2493 CA ALA A 331 114.404 55.004 17.836 1.00 25.06 C +ATOM 2494 C ALA A 331 113.937 56.424 17.605 1.00 24.51 C +ATOM 2495 O ALA A 331 114.559 57.396 18.106 1.00 23.65 O +ATOM 2496 CB ALA A 331 115.146 54.392 16.633 1.00 25.01 C +ATOM 2497 N THR A 332 112.855 56.622 16.880 1.00 24.84 N +ATOM 2498 CA THR A 332 112.395 58.019 16.635 1.00 26.04 C +ATOM 2499 C THR A 332 111.998 58.641 18.001 1.00 26.02 C +ATOM 2500 O THR A 332 112.379 59.762 18.295 1.00 25.32 O +ATOM 2501 CB THR A 332 111.154 58.152 15.677 1.00 26.15 C +ATOM 2502 OG1 THR A 332 111.447 57.213 14.628 1.00 27.21 O +ATOM 2503 CG2 THR A 332 110.804 59.509 15.061 1.00 26.29 C +ATOM 2504 N ALA A 333 111.191 57.825 18.665 1.00 26.30 N +ATOM 2505 CA ALA A 333 110.647 58.171 19.992 1.00 27.35 C +ATOM 2506 C ALA A 333 111.765 58.623 20.925 1.00 27.82 C +ATOM 2507 O ALA A 333 111.620 59.677 21.580 1.00 28.03 O +ATOM 2508 CB ALA A 333 109.710 57.053 20.474 1.00 26.60 C +ATOM 2509 N ILE A 334 112.871 57.913 20.974 1.00 28.68 N +ATOM 2510 CA ILE A 334 114.063 58.217 21.779 1.00 29.72 C +ATOM 2511 C ILE A 334 114.689 59.513 21.285 1.00 31.50 C +ATOM 2512 O ILE A 334 114.865 60.479 22.043 1.00 31.58 O +ATOM 2513 CB ILE A 334 115.081 57.014 21.708 1.00 28.99 C +ATOM 2514 CG1 ILE A 334 114.490 55.767 22.345 1.00 28.71 C +ATOM 2515 CG2 ILE A 334 116.422 57.467 22.315 1.00 29.37 C +ATOM 2516 CD1 ILE A 334 115.164 54.411 22.534 1.00 28.51 C +ATOM 2517 N GLU A 335 114.959 59.551 19.977 1.00 33.71 N +ATOM 2518 CA GLU A 335 115.559 60.651 19.211 1.00 35.25 C +ATOM 2519 C GLU A 335 114.874 61.972 19.535 1.00 33.91 C +ATOM 2520 O GLU A 335 115.513 62.994 19.787 1.00 33.51 O +ATOM 2521 CB GLU A 335 115.350 60.418 17.733 1.00 38.62 C +ATOM 2522 CG GLU A 335 115.862 61.434 16.704 1.00 42.80 C +ATOM 2523 CD GLU A 335 115.524 61.162 15.228 1.00 44.93 C +ATOM 2524 OE1 GLU A 335 116.086 60.068 14.809 1.00 46.03 O +ATOM 2525 OE2 GLU A 335 114.795 61.918 14.537 1.00 45.74 O +ATOM 2526 N LYS A 336 113.558 61.901 19.527 1.00 32.72 N +ATOM 2527 CA LYS A 336 112.664 63.025 19.849 1.00 31.77 C +ATOM 2528 C LYS A 336 112.344 63.307 21.315 1.00 30.75 C +ATOM 2529 O LYS A 336 111.608 64.312 21.509 1.00 30.21 O +ATOM 2530 CB LYS A 336 111.277 62.878 19.187 1.00 31.87 C +ATOM 2531 CG LYS A 336 111.566 62.548 17.767 1.00 32.72 C +ATOM 2532 CD LYS A 336 110.359 62.552 16.917 1.00 34.11 C +ATOM 2533 CE LYS A 336 110.789 63.582 15.829 1.00 35.74 C +ATOM 2534 NZ LYS A 336 109.796 63.383 14.730 1.00 37.40 N +ATOM 2535 N LYS A 337 112.820 62.514 22.266 1.00 29.72 N +ATOM 2536 CA LYS A 337 112.492 62.746 23.695 1.00 28.06 C +ATOM 2537 C LYS A 337 110.990 62.921 23.869 1.00 25.41 C +ATOM 2538 O LYS A 337 110.486 63.891 24.436 1.00 23.57 O +ATOM 2539 CB LYS A 337 113.256 63.944 24.261 1.00 30.03 C +ATOM 2540 CG LYS A 337 114.714 63.517 24.415 1.00 32.09 C +ATOM 2541 CD LYS A 337 115.729 64.623 24.199 1.00 34.01 C +ATOM 2542 CE LYS A 337 117.067 64.135 24.804 1.00 35.68 C +ATOM 2543 NZ LYS A 337 118.187 65.001 24.219 1.00 37.62 N +ATOM 2544 N ALA A 338 110.323 61.924 23.291 1.00 23.51 N +ATOM 2545 CA ALA A 338 108.859 61.882 23.330 1.00 22.23 C +ATOM 2546 C ALA A 338 108.326 61.239 24.607 1.00 21.64 C +ATOM 2547 O ALA A 338 107.186 61.584 24.993 1.00 22.03 O +ATOM 2548 CB ALA A 338 108.345 61.166 22.077 1.00 21.38 C +ATOM 2549 N ALA A 339 109.025 60.304 25.232 1.00 20.80 N +ATOM 2550 CA ALA A 339 108.548 59.609 26.450 1.00 19.95 C +ATOM 2551 C ALA A 339 109.706 58.927 27.142 1.00 19.10 C +ATOM 2552 O ALA A 339 110.835 59.128 26.658 1.00 20.39 O +ATOM 2553 CB ALA A 339 107.563 58.491 26.154 1.00 19.52 C +ATOM 2554 N ASP A 340 109.467 58.102 28.118 1.00 18.22 N +ATOM 2555 CA ASP A 340 110.638 57.458 28.719 1.00 18.24 C +ATOM 2556 C ASP A 340 110.293 56.045 29.164 1.00 18.62 C +ATOM 2557 O ASP A 340 111.084 55.711 30.080 1.00 18.70 O +ATOM 2558 CB ASP A 340 111.205 58.206 29.913 1.00 18.13 C +ATOM 2559 CG ASP A 340 110.186 58.441 31.002 1.00 18.39 C +ATOM 2560 OD1 ASP A 340 109.021 58.101 31.208 1.00 18.87 O +ATOM 2561 OD2 ASP A 340 110.646 59.213 31.835 1.00 19.15 O +ATOM 2562 N ALA A 341 109.244 55.455 28.627 1.00 17.77 N +ATOM 2563 CA ALA A 341 108.957 54.074 29.013 1.00 17.63 C +ATOM 2564 C ALA A 341 108.241 53.493 27.785 1.00 17.92 C +ATOM 2565 O ALA A 341 107.473 54.218 27.110 1.00 18.34 O +ATOM 2566 CB ALA A 341 108.155 53.935 30.285 1.00 17.44 C +ATOM 2567 N LEU A 342 108.517 52.219 27.557 1.00 17.79 N +ATOM 2568 CA LEU A 342 107.914 51.493 26.441 1.00 16.64 C +ATOM 2569 C LEU A 342 106.898 50.457 26.940 1.00 17.16 C +ATOM 2570 O LEU A 342 107.150 49.683 27.863 1.00 16.88 O +ATOM 2571 CB LEU A 342 109.087 50.821 25.737 1.00 15.59 C +ATOM 2572 CG LEU A 342 108.687 49.832 24.662 1.00 16.10 C +ATOM 2573 CD1 LEU A 342 108.363 50.467 23.302 1.00 15.81 C +ATOM 2574 CD2 LEU A 342 109.714 48.690 24.527 1.00 14.88 C +ATOM 2575 N LEU A 343 105.713 50.404 26.300 1.00 16.84 N +ATOM 2576 CA LEU A 343 104.775 49.366 26.627 1.00 16.63 C +ATOM 2577 C LEU A 343 105.184 48.230 25.651 1.00 17.38 C +ATOM 2578 O LEU A 343 105.106 48.373 24.429 1.00 16.95 O +ATOM 2579 CB LEU A 343 103.356 49.871 26.520 1.00 16.56 C +ATOM 2580 CG LEU A 343 102.434 48.814 27.184 1.00 16.17 C +ATOM 2581 CD1 LEU A 343 102.311 49.050 28.689 1.00 16.06 C +ATOM 2582 CD2 LEU A 343 101.161 48.984 26.466 1.00 15.43 C +ATOM 2583 N LEU A 344 105.661 47.143 26.217 1.00 17.91 N +ATOM 2584 CA LEU A 344 106.087 46.021 25.383 1.00 19.05 C +ATOM 2585 C LEU A 344 104.985 44.990 25.225 1.00 18.83 C +ATOM 2586 O LEU A 344 104.547 44.410 26.210 1.00 17.91 O +ATOM 2587 CB LEU A 344 107.348 45.483 26.066 1.00 20.74 C +ATOM 2588 CG LEU A 344 108.234 44.434 25.455 1.00 22.61 C +ATOM 2589 CD1 LEU A 344 109.421 44.000 26.336 1.00 23.70 C +ATOM 2590 CD2 LEU A 344 107.496 43.079 25.465 1.00 23.78 C +ATOM 2591 N LYS A 345 104.541 44.691 23.999 1.00 19.16 N +ATOM 2592 CA LYS A 345 103.530 43.670 23.655 1.00 18.50 C +ATOM 2593 C LYS A 345 104.245 42.732 22.689 1.00 19.56 C +ATOM 2594 O LYS A 345 104.430 43.034 21.527 1.00 19.31 O +ATOM 2595 CB LYS A 345 102.287 44.240 23.077 1.00 18.42 C +ATOM 2596 CG LYS A 345 101.615 45.237 23.992 1.00 17.82 C +ATOM 2597 CD LYS A 345 100.513 45.927 23.232 1.00 18.31 C +ATOM 2598 CE LYS A 345 99.493 46.415 24.259 1.00 18.76 C +ATOM 2599 NZ LYS A 345 98.553 47.412 23.635 1.00 19.69 N +ATOM 2600 N VAL A 346 104.693 41.598 23.251 1.00 20.64 N +ATOM 2601 CA VAL A 346 105.455 40.621 22.524 1.00 21.77 C +ATOM 2602 C VAL A 346 104.777 40.301 21.199 1.00 22.37 C +ATOM 2603 O VAL A 346 105.548 40.171 20.199 1.00 23.27 O +ATOM 2604 CB VAL A 346 105.974 39.409 23.325 1.00 22.43 C +ATOM 2605 CG1 VAL A 346 106.763 39.842 24.572 1.00 21.65 C +ATOM 2606 CG2 VAL A 346 104.884 38.423 23.636 1.00 23.28 C +ATOM 2607 N ASN A 347 103.497 40.186 21.163 1.00 21.95 N +ATOM 2608 CA ASN A 347 102.772 39.842 19.908 1.00 22.49 C +ATOM 2609 C ASN A 347 102.614 41.073 18.992 1.00 22.67 C +ATOM 2610 O ASN A 347 102.061 40.899 17.918 1.00 23.51 O +ATOM 2611 CB ASN A 347 101.513 39.035 20.198 1.00 22.07 C +ATOM 2612 CG ASN A 347 100.318 39.915 20.474 1.00 21.56 C +ATOM 2613 OD1 ASN A 347 100.340 40.989 21.091 1.00 21.78 O +ATOM 2614 ND2 ASN A 347 99.241 39.410 19.907 1.00 21.84 N +ATOM 2615 N GLN A 348 103.057 42.260 19.323 1.00 22.46 N +ATOM 2616 CA GLN A 348 102.941 43.396 18.438 1.00 22.17 C +ATOM 2617 C GLN A 348 104.154 43.226 17.470 1.00 21.71 C +ATOM 2618 O GLN A 348 104.030 43.809 16.397 1.00 20.94 O +ATOM 2619 CB GLN A 348 102.941 44.814 18.921 1.00 22.21 C +ATOM 2620 CG GLN A 348 101.752 45.203 19.757 1.00 23.25 C +ATOM 2621 CD GLN A 348 101.762 46.656 20.123 1.00 23.23 C +ATOM 2622 OE1 GLN A 348 100.902 47.473 19.862 1.00 23.69 O +ATOM 2623 NE2 GLN A 348 102.854 46.965 20.824 1.00 23.42 N +ATOM 2624 N ILE A 349 105.194 42.543 17.906 1.00 20.75 N +ATOM 2625 CA ILE A 349 106.366 42.344 17.080 1.00 20.10 C +ATOM 2626 C ILE A 349 106.485 40.928 16.546 1.00 20.23 C +ATOM 2627 O ILE A 349 107.126 40.670 15.482 1.00 21.46 O +ATOM 2628 CB ILE A 349 107.600 42.927 17.827 1.00 20.69 C +ATOM 2629 CG1 ILE A 349 108.700 43.193 16.753 1.00 21.44 C +ATOM 2630 CG2 ILE A 349 108.151 42.081 18.973 1.00 20.62 C +ATOM 2631 CD1 ILE A 349 109.831 44.085 17.307 1.00 22.28 C +ATOM 2632 N GLY A 350 105.849 39.932 17.148 1.00 18.57 N +ATOM 2633 CA GLY A 350 105.788 38.557 16.826 1.00 16.16 C +ATOM 2634 C GLY A 350 106.960 37.748 17.224 1.00 16.15 C +ATOM 2635 O GLY A 350 106.870 36.580 16.826 1.00 16.02 O +ATOM 2636 N THR A 351 108.043 38.091 17.850 1.00 16.63 N +ATOM 2637 CA THR A 351 109.041 37.049 18.149 1.00 17.99 C +ATOM 2638 C THR A 351 109.709 37.436 19.485 1.00 17.69 C +ATOM 2639 O THR A 351 109.871 38.627 19.790 1.00 17.94 O +ATOM 2640 CB THR A 351 110.197 36.700 17.155 1.00 18.68 C +ATOM 2641 OG1 THR A 351 111.053 37.877 17.102 1.00 19.01 O +ATOM 2642 CG2 THR A 351 109.809 36.207 15.763 1.00 19.44 C +ATOM 2643 N LEU A 352 110.082 36.404 20.241 1.00 17.86 N +ATOM 2644 CA LEU A 352 110.771 36.610 21.574 1.00 16.26 C +ATOM 2645 C LEU A 352 112.085 37.335 21.287 1.00 16.79 C +ATOM 2646 O LEU A 352 112.220 38.451 21.894 1.00 17.55 O +ATOM 2647 CB LEU A 352 110.721 35.289 22.348 1.00 15.02 C +ATOM 2648 CG LEU A 352 111.412 35.408 23.731 1.00 14.70 C +ATOM 2649 CD1 LEU A 352 110.617 36.288 24.687 1.00 14.07 C +ATOM 2650 CD2 LEU A 352 111.754 34.064 24.328 1.00 14.00 C +ATOM 2651 N SER A 353 112.985 36.940 20.374 1.00 16.37 N +ATOM 2652 CA SER A 353 114.220 37.733 20.102 1.00 16.88 C +ATOM 2653 C SER A 353 114.051 39.218 19.840 1.00 17.12 C +ATOM 2654 O SER A 353 114.826 40.046 20.392 1.00 16.69 O +ATOM 2655 CB SER A 353 115.030 37.124 18.947 1.00 17.11 C +ATOM 2656 OG SER A 353 115.208 35.747 19.178 1.00 17.25 O +ATOM 2657 N GLU A 354 113.042 39.553 19.003 1.00 17.29 N +ATOM 2658 CA GLU A 354 112.762 40.962 18.691 1.00 17.78 C +ATOM 2659 C GLU A 354 112.151 41.688 19.882 1.00 18.56 C +ATOM 2660 O GLU A 354 112.390 42.902 19.975 1.00 19.12 O +ATOM 2661 CB GLU A 354 111.874 41.170 17.466 1.00 18.15 C +ATOM 2662 CG GLU A 354 112.303 40.505 16.128 1.00 18.26 C +ATOM 2663 CD GLU A 354 111.232 40.385 15.078 1.00 18.36 C +ATOM 2664 OE1 GLU A 354 110.380 39.513 15.105 1.00 18.71 O +ATOM 2665 OE2 GLU A 354 111.150 41.257 14.189 1.00 18.89 O +ATOM 2666 N SER A 355 111.386 41.080 20.765 1.00 19.29 N +ATOM 2667 CA SER A 355 110.782 41.619 21.982 1.00 20.14 C +ATOM 2668 C SER A 355 111.844 42.043 22.993 1.00 20.31 C +ATOM 2669 O SER A 355 111.838 43.134 23.602 1.00 20.62 O +ATOM 2670 CB SER A 355 109.874 40.530 22.564 1.00 20.91 C +ATOM 2671 OG SER A 355 108.633 40.643 21.817 1.00 22.39 O +ATOM 2672 N ILE A 356 112.827 41.159 23.136 1.00 20.78 N +ATOM 2673 CA ILE A 356 113.965 41.359 24.049 1.00 21.03 C +ATOM 2674 C ILE A 356 114.807 42.493 23.484 1.00 22.16 C +ATOM 2675 O ILE A 356 115.116 43.449 24.228 1.00 23.08 O +ATOM 2676 CB ILE A 356 114.814 40.073 24.226 1.00 20.66 C +ATOM 2677 CG1 ILE A 356 113.956 38.963 24.900 1.00 20.17 C +ATOM 2678 CG2 ILE A 356 116.161 40.357 24.933 1.00 20.65 C +ATOM 2679 CD1 ILE A 356 114.686 37.605 24.928 1.00 19.05 C +ATOM 2680 N LYS A 357 115.089 42.409 22.183 1.00 22.87 N +ATOM 2681 CA LYS A 357 115.849 43.469 21.536 1.00 23.44 C +ATOM 2682 C LYS A 357 115.194 44.817 21.760 1.00 21.94 C +ATOM 2683 O LYS A 357 115.833 45.842 22.056 1.00 22.07 O +ATOM 2684 CB LYS A 357 116.053 43.341 20.013 1.00 25.95 C +ATOM 2685 CG LYS A 357 117.412 44.047 19.772 1.00 28.62 C +ATOM 2686 CD LYS A 357 117.472 44.686 18.440 1.00 31.42 C +ATOM 2687 CE LYS A 357 118.513 45.814 18.233 1.00 33.06 C +ATOM 2688 NZ LYS A 357 118.093 46.233 16.817 1.00 35.63 N +ATOM 2689 N ALA A 358 113.887 44.875 21.590 1.00 21.23 N +ATOM 2690 CA ALA A 358 113.199 46.157 21.776 1.00 19.88 C +ATOM 2691 C ALA A 358 113.309 46.633 23.208 1.00 19.76 C +ATOM 2692 O ALA A 358 113.237 47.885 23.327 1.00 20.19 O +ATOM 2693 CB ALA A 358 111.763 46.091 21.330 1.00 20.65 C +ATOM 2694 N ALA A 359 113.367 45.772 24.229 1.00 18.96 N +ATOM 2695 CA ALA A 359 113.478 46.174 25.621 1.00 17.67 C +ATOM 2696 C ALA A 359 114.906 46.694 25.881 1.00 18.82 C +ATOM 2697 O ALA A 359 115.132 47.750 26.551 1.00 18.96 O +ATOM 2698 CB ALA A 359 113.168 44.986 26.522 1.00 16.59 C +ATOM 2699 N GLN A 360 115.922 46.012 25.375 1.00 19.49 N +ATOM 2700 CA GLN A 360 117.318 46.377 25.535 1.00 20.65 C +ATOM 2701 C GLN A 360 117.633 47.737 24.959 1.00 21.30 C +ATOM 2702 O GLN A 360 118.338 48.528 25.639 1.00 20.58 O +ATOM 2703 CB GLN A 360 118.224 45.346 24.921 1.00 22.25 C +ATOM 2704 CG GLN A 360 118.299 44.093 25.826 1.00 23.38 C +ATOM 2705 CD GLN A 360 119.002 42.998 25.064 1.00 24.68 C +ATOM 2706 OE1 GLN A 360 119.186 42.979 23.822 1.00 26.01 O +ATOM 2707 NE2 GLN A 360 119.454 41.982 25.768 1.00 25.15 N +ATOM 2708 N ASP A 361 117.087 48.003 23.762 1.00 21.66 N +ATOM 2709 CA ASP A 361 117.389 49.355 23.230 1.00 22.51 C +ATOM 2710 C ASP A 361 116.750 50.441 24.074 1.00 22.06 C +ATOM 2711 O ASP A 361 117.300 51.542 24.127 1.00 22.29 O +ATOM 2712 CB ASP A 361 116.853 49.468 21.827 1.00 24.69 C +ATOM 2713 CG ASP A 361 117.607 48.432 20.947 1.00 26.15 C +ATOM 2714 OD1 ASP A 361 118.743 47.983 21.281 1.00 26.28 O +ATOM 2715 OD2 ASP A 361 116.850 48.251 19.966 1.00 27.09 O +ATOM 2716 N SER A 362 115.625 50.151 24.648 1.00 20.60 N +ATOM 2717 CA SER A 362 114.915 51.085 25.493 1.00 20.37 C +ATOM 2718 C SER A 362 115.760 51.384 26.726 1.00 20.24 C +ATOM 2719 O SER A 362 115.890 52.582 27.014 1.00 20.20 O +ATOM 2720 CB SER A 362 113.580 50.533 26.002 1.00 20.76 C +ATOM 2721 OG SER A 362 112.904 50.237 24.762 1.00 21.57 O +ATOM 2722 N PHE A 363 116.180 50.276 27.293 1.00 19.76 N +ATOM 2723 CA PHE A 363 116.991 50.324 28.526 1.00 19.92 C +ATOM 2724 C PHE A 363 118.279 51.104 28.213 1.00 20.45 C +ATOM 2725 O PHE A 363 118.580 51.932 29.058 1.00 20.79 O +ATOM 2726 CB PHE A 363 117.356 49.018 29.181 1.00 18.24 C +ATOM 2727 CG PHE A 363 116.262 48.168 29.743 1.00 17.33 C +ATOM 2728 CD1 PHE A 363 115.323 48.722 30.605 1.00 17.31 C +ATOM 2729 CD2 PHE A 363 116.212 46.806 29.507 1.00 16.63 C +ATOM 2730 CE1 PHE A 363 114.324 47.986 31.199 1.00 16.89 C +ATOM 2731 CE2 PHE A 363 115.197 46.031 30.044 1.00 16.68 C +ATOM 2732 CZ PHE A 363 114.235 46.631 30.879 1.00 16.87 C +ATOM 2733 N ALA A 364 118.914 50.847 27.106 1.00 21.31 N +ATOM 2734 CA ALA A 364 120.134 51.569 26.748 1.00 21.82 C +ATOM 2735 C ALA A 364 119.840 53.036 26.633 1.00 22.76 C +ATOM 2736 O ALA A 364 120.777 53.841 26.739 1.00 25.16 O +ATOM 2737 CB ALA A 364 120.705 51.086 25.412 1.00 20.90 C +ATOM 2738 N ALA A 365 118.649 53.499 26.398 1.00 23.12 N +ATOM 2739 CA ALA A 365 118.433 54.954 26.259 1.00 23.09 C +ATOM 2740 C ALA A 365 117.942 55.513 27.575 1.00 23.81 C +ATOM 2741 O ALA A 365 117.476 56.665 27.555 1.00 25.27 O +ATOM 2742 CB ALA A 365 117.262 55.152 25.314 1.00 22.58 C +ATOM 2743 N GLY A 366 117.921 54.696 28.603 1.00 23.76 N +ATOM 2744 CA GLY A 366 117.410 55.099 29.927 1.00 22.92 C +ATOM 2745 C GLY A 366 115.905 55.047 30.097 1.00 22.15 C +ATOM 2746 O GLY A 366 115.363 55.711 31.047 1.00 23.64 O +ATOM 2747 N TRP A 367 115.238 54.333 29.215 1.00 20.09 N +ATOM 2748 CA TRP A 367 113.780 54.196 29.346 1.00 18.60 C +ATOM 2749 C TRP A 367 113.610 52.975 30.306 1.00 18.10 C +ATOM 2750 O TRP A 367 114.593 52.214 30.481 1.00 18.12 O +ATOM 2751 CB TRP A 367 113.275 53.850 27.961 1.00 18.08 C +ATOM 2752 CG TRP A 367 113.041 54.991 27.035 1.00 17.66 C +ATOM 2753 CD1 TRP A 367 113.720 56.168 26.984 1.00 17.63 C +ATOM 2754 CD2 TRP A 367 112.027 55.028 26.017 1.00 17.74 C +ATOM 2755 NE1 TRP A 367 113.165 56.948 26.001 1.00 18.74 N +ATOM 2756 CE2 TRP A 367 112.115 56.274 25.384 1.00 17.82 C +ATOM 2757 CE3 TRP A 367 110.996 54.150 25.633 1.00 17.95 C +ATOM 2758 CZ2 TRP A 367 111.243 56.659 24.395 1.00 17.26 C +ATOM 2759 CZ3 TRP A 367 110.108 54.489 24.638 1.00 16.83 C +ATOM 2760 CH2 TRP A 367 110.275 55.743 24.051 1.00 17.50 C +ATOM 2761 N GLY A 368 112.437 52.903 30.836 1.00 16.84 N +ATOM 2762 CA GLY A 368 111.922 51.809 31.665 1.00 16.29 C +ATOM 2763 C GLY A 368 111.109 51.027 30.601 1.00 16.30 C +ATOM 2764 O GLY A 368 110.888 51.440 29.419 1.00 16.59 O +ATOM 2765 N VAL A 369 110.674 49.837 30.894 1.00 16.06 N +ATOM 2766 CA VAL A 369 109.850 48.900 30.136 1.00 15.09 C +ATOM 2767 C VAL A 369 108.679 48.289 30.943 1.00 15.73 C +ATOM 2768 O VAL A 369 108.948 47.513 31.917 1.00 16.51 O +ATOM 2769 CB VAL A 369 110.744 47.866 29.418 1.00 14.39 C +ATOM 2770 CG1 VAL A 369 109.849 46.867 28.686 1.00 13.96 C +ATOM 2771 CG2 VAL A 369 111.802 48.569 28.560 1.00 13.95 C +ATOM 2772 N MET A 370 107.416 48.545 30.562 1.00 15.23 N +ATOM 2773 CA MET A 370 106.242 47.985 31.177 1.00 15.31 C +ATOM 2774 C MET A 370 105.786 46.799 30.345 1.00 15.70 C +ATOM 2775 O MET A 370 105.283 46.981 29.235 1.00 16.62 O +ATOM 2776 CB MET A 370 105.091 48.988 31.267 1.00 16.07 C +ATOM 2777 CG MET A 370 104.024 48.453 32.199 1.00 16.70 C +ATOM 2778 SD MET A 370 102.795 49.715 32.549 1.00 18.87 S +ATOM 2779 CE MET A 370 103.555 51.035 33.500 1.00 16.50 C +ATOM 2780 N VAL A 371 105.887 45.573 30.770 1.00 15.99 N +ATOM 2781 CA VAL A 371 105.441 44.388 30.040 1.00 15.03 C +ATOM 2782 C VAL A 371 103.906 44.452 30.184 1.00 16.10 C +ATOM 2783 O VAL A 371 103.352 44.786 31.245 1.00 16.12 O +ATOM 2784 CB VAL A 371 106.128 43.121 30.536 1.00 14.81 C +ATOM 2785 CG1 VAL A 371 105.619 41.830 29.892 1.00 14.66 C +ATOM 2786 CG2 VAL A 371 107.640 43.284 30.341 1.00 14.32 C +ATOM 2787 N SER A 372 103.224 44.079 29.084 1.00 15.58 N +ATOM 2788 CA SER A 372 101.778 44.118 29.043 1.00 15.11 C +ATOM 2789 C SER A 372 101.121 42.923 28.372 1.00 16.35 C +ATOM 2790 O SER A 372 101.576 42.146 27.534 1.00 16.74 O +ATOM 2791 CB SER A 372 101.590 45.493 28.453 1.00 13.82 C +ATOM 2792 OG SER A 372 100.330 45.754 27.989 1.00 12.98 O +ATOM 2793 N HIS A 373 99.907 42.690 28.833 1.00 17.43 N +ATOM 2794 CA HIS A 373 98.892 41.736 28.454 1.00 17.83 C +ATOM 2795 C HIS A 373 98.187 42.385 27.256 1.00 18.38 C +ATOM 2796 O HIS A 373 98.389 43.512 26.837 1.00 17.55 O +ATOM 2797 CB HIS A 373 97.823 41.651 29.547 1.00 18.49 C +ATOM 2798 CG HIS A 373 97.044 42.872 29.910 1.00 19.03 C +ATOM 2799 ND1 HIS A 373 95.855 42.718 30.638 1.00 19.58 N +ATOM 2800 CD2 HIS A 373 97.112 44.191 29.695 1.00 19.01 C +ATOM 2801 CE1 HIS A 373 95.302 43.884 30.926 1.00 19.14 C +ATOM 2802 NE2 HIS A 373 96.042 44.776 30.330 1.00 19.46 N +ATOM 2803 N ARG A 374 97.281 41.626 26.693 1.00 19.89 N +ATOM 2804 CA ARG A 374 96.420 41.993 25.568 1.00 19.98 C +ATOM 2805 C ARG A 374 95.010 41.872 26.203 1.00 20.44 C +ATOM 2806 O ARG A 374 94.726 41.284 27.260 1.00 19.41 O +ATOM 2807 CB ARG A 374 96.506 41.146 24.295 1.00 19.73 C +ATOM 2808 CG ARG A 374 97.839 41.008 23.586 1.00 20.05 C +ATOM 2809 CD ARG A 374 98.610 42.274 23.471 1.00 20.82 C +ATOM 2810 NE ARG A 374 97.835 43.249 22.692 1.00 22.08 N +ATOM 2811 CZ ARG A 374 98.031 43.463 21.362 1.00 23.24 C +ATOM 2812 NH1 ARG A 374 99.050 42.849 20.725 1.00 23.39 N +ATOM 2813 NH2 ARG A 374 97.193 44.206 20.637 1.00 23.06 N +ATOM 2814 N SER A 375 94.128 42.476 25.442 1.00 21.13 N +ATOM 2815 CA SER A 375 92.683 42.520 25.658 1.00 22.21 C +ATOM 2816 C SER A 375 92.184 41.080 25.707 1.00 21.21 C +ATOM 2817 O SER A 375 91.427 40.761 26.630 1.00 21.45 O +ATOM 2818 CB SER A 375 92.028 43.205 24.442 1.00 24.00 C +ATOM 2819 OG SER A 375 90.743 43.705 24.815 1.00 26.98 O +ATOM 2820 N GLY A 376 92.605 40.314 24.685 1.00 20.12 N +ATOM 2821 CA GLY A 376 92.281 38.885 24.561 1.00 18.28 C +ATOM 2822 C GLY A 376 93.469 38.055 25.062 1.00 17.69 C +ATOM 2823 O GLY A 376 94.401 37.642 24.388 1.00 17.03 O +ATOM 2824 N GLU A 377 93.470 37.777 26.370 1.00 17.73 N +ATOM 2825 CA GLU A 377 94.510 36.959 26.995 1.00 16.92 C +ATOM 2826 C GLU A 377 94.042 35.515 27.071 1.00 16.75 C +ATOM 2827 O GLU A 377 92.896 35.179 26.753 1.00 17.53 O +ATOM 2828 CB GLU A 377 94.817 37.487 28.380 1.00 17.10 C +ATOM 2829 CG GLU A 377 95.921 38.560 28.370 1.00 17.07 C +ATOM 2830 CD GLU A 377 97.250 38.031 27.910 1.00 17.43 C +ATOM 2831 OE1 GLU A 377 97.425 36.786 28.032 1.00 18.04 O +ATOM 2832 OE2 GLU A 377 98.071 38.777 27.450 1.00 17.36 O +ATOM 2833 N THR A 378 94.867 34.638 27.524 1.00 16.14 N +ATOM 2834 CA THR A 378 94.744 33.226 27.732 1.00 16.34 C +ATOM 2835 C THR A 378 95.321 32.926 29.143 1.00 16.64 C +ATOM 2836 O THR A 378 95.824 33.757 29.911 1.00 16.02 O +ATOM 2837 CB THR A 378 95.470 32.425 26.559 1.00 15.78 C +ATOM 2838 OG1 THR A 378 96.872 32.511 26.898 1.00 15.52 O +ATOM 2839 CG2 THR A 378 95.330 33.018 25.155 1.00 15.57 C +ATOM 2840 N GLU A 379 95.242 31.660 29.426 1.00 16.76 N +ATOM 2841 CA GLU A 379 95.660 30.971 30.627 1.00 17.23 C +ATOM 2842 C GLU A 379 97.189 30.792 30.648 1.00 17.57 C +ATOM 2843 O GLU A 379 97.626 30.289 31.742 1.00 17.73 O +ATOM 2844 CB GLU A 379 94.999 29.597 30.843 1.00 16.62 C +ATOM 2845 CG GLU A 379 95.207 28.493 29.740 1.00 17.34 C +ATOM 2846 CD GLU A 379 94.062 28.374 28.750 1.00 17.67 C +ATOM 2847 OE1 GLU A 379 93.639 29.524 28.375 1.00 18.06 O +ATOM 2848 OE2 GLU A 379 93.526 27.295 28.449 1.00 17.75 O +ATOM 2849 N ASP A 380 97.874 31.156 29.573 1.00 16.17 N +ATOM 2850 CA ASP A 380 99.335 31.093 29.460 1.00 15.43 C +ATOM 2851 C ASP A 380 99.948 32.192 30.313 1.00 15.05 C +ATOM 2852 O ASP A 380 99.578 33.376 30.185 1.00 14.86 O +ATOM 2853 CB ASP A 380 99.766 31.260 27.996 1.00 16.86 C +ATOM 2854 CG ASP A 380 101.189 30.855 27.725 1.00 17.86 C +ATOM 2855 OD1 ASP A 380 102.064 31.470 28.332 1.00 18.99 O +ATOM 2856 OD2 ASP A 380 101.558 29.934 26.967 1.00 18.40 O +ATOM 2857 N THR A 381 100.926 31.903 31.147 1.00 14.81 N +ATOM 2858 CA THR A 381 101.568 32.824 32.070 1.00 14.86 C +ATOM 2859 C THR A 381 102.949 33.324 31.735 1.00 14.88 C +ATOM 2860 O THR A 381 103.688 33.856 32.576 1.00 15.61 O +ATOM 2861 CB THR A 381 101.642 32.209 33.541 1.00 14.91 C +ATOM 2862 OG1 THR A 381 102.406 30.982 33.435 1.00 15.31 O +ATOM 2863 CG2 THR A 381 100.254 31.896 34.088 1.00 15.14 C +ATOM 2864 N PHE A 382 103.274 33.144 30.509 1.00 14.69 N +ATOM 2865 CA PHE A 382 104.552 33.561 29.935 1.00 14.30 C +ATOM 2866 C PHE A 382 104.906 34.982 30.316 1.00 14.18 C +ATOM 2867 O PHE A 382 106.082 35.163 30.684 1.00 15.39 O +ATOM 2868 CB PHE A 382 104.493 33.421 28.387 1.00 13.57 C +ATOM 2869 CG PHE A 382 105.913 33.671 27.832 1.00 11.91 C +ATOM 2870 CD1 PHE A 382 106.311 34.957 27.537 1.00 10.71 C +ATOM 2871 CD2 PHE A 382 106.720 32.558 27.617 1.00 10.81 C +ATOM 2872 CE1 PHE A 382 107.594 35.078 27.024 1.00 11.04 C +ATOM 2873 CE2 PHE A 382 107.984 32.700 27.116 1.00 10.38 C +ATOM 2874 CZ PHE A 382 108.420 33.985 26.858 1.00 10.18 C +ATOM 2875 N ILE A 383 104.035 35.970 30.263 1.00 14.75 N +ATOM 2876 CA ILE A 383 104.459 37.337 30.603 1.00 14.79 C +ATOM 2877 C ILE A 383 104.923 37.512 32.044 1.00 14.35 C +ATOM 2878 O ILE A 383 105.580 38.497 32.318 1.00 12.75 O +ATOM 2879 CB ILE A 383 103.509 38.477 30.091 1.00 15.56 C +ATOM 2880 CG1 ILE A 383 102.129 38.571 30.756 1.00 15.68 C +ATOM 2881 CG2 ILE A 383 103.421 38.272 28.542 1.00 16.10 C +ATOM 2882 CD1 ILE A 383 101.358 39.930 30.722 1.00 15.30 C +ATOM 2883 N ALA A 384 104.567 36.579 32.917 1.00 15.44 N +ATOM 2884 CA ALA A 384 104.971 36.573 34.381 1.00 14.62 C +ATOM 2885 C ALA A 384 106.488 36.282 34.410 1.00 14.02 C +ATOM 2886 O ALA A 384 107.167 37.138 34.978 1.00 13.62 O +ATOM 2887 CB ALA A 384 104.133 35.671 35.208 1.00 14.06 C +ATOM 2888 N ASP A 385 106.985 35.280 33.767 1.00 13.60 N +ATOM 2889 CA ASP A 385 108.397 34.944 33.642 1.00 13.90 C +ATOM 2890 C ASP A 385 109.198 35.956 32.866 1.00 13.79 C +ATOM 2891 O ASP A 385 110.382 36.310 33.175 1.00 15.32 O +ATOM 2892 CB ASP A 385 108.462 33.542 33.046 1.00 14.90 C +ATOM 2893 CG ASP A 385 108.074 32.493 34.067 1.00 15.99 C +ATOM 2894 OD1 ASP A 385 106.861 32.113 34.184 1.00 16.89 O +ATOM 2895 OD2 ASP A 385 108.991 31.955 34.745 1.00 16.30 O +ATOM 2896 N LEU A 386 108.643 36.540 31.822 1.00 12.96 N +ATOM 2897 CA LEU A 386 109.315 37.577 31.012 1.00 12.40 C +ATOM 2898 C LEU A 386 109.636 38.879 31.725 1.00 12.30 C +ATOM 2899 O LEU A 386 110.722 39.507 31.643 1.00 12.80 O +ATOM 2900 CB LEU A 386 108.363 37.822 29.796 1.00 11.71 C +ATOM 2901 CG LEU A 386 108.918 38.889 28.831 1.00 11.43 C +ATOM 2902 CD1 LEU A 386 110.153 38.282 28.164 1.00 9.52 C +ATOM 2903 CD2 LEU A 386 107.770 39.288 27.914 1.00 10.53 C +ATOM 2904 N VAL A 387 108.650 39.446 32.395 1.00 12.39 N +ATOM 2905 CA VAL A 387 108.837 40.677 33.204 1.00 12.84 C +ATOM 2906 C VAL A 387 109.905 40.391 34.273 1.00 12.19 C +ATOM 2907 O VAL A 387 110.647 41.323 34.518 1.00 12.81 O +ATOM 2908 CB VAL A 387 107.556 41.243 33.864 1.00 12.30 C +ATOM 2909 CG1 VAL A 387 106.980 40.345 34.939 1.00 12.47 C +ATOM 2910 CG2 VAL A 387 107.854 42.644 34.351 1.00 11.93 C +ATOM 2911 N VAL A 388 110.025 39.220 34.852 1.00 12.61 N +ATOM 2912 CA VAL A 388 111.043 38.898 35.853 1.00 12.98 C +ATOM 2913 C VAL A 388 112.392 38.746 35.119 1.00 13.70 C +ATOM 2914 O VAL A 388 113.327 39.502 35.442 1.00 14.11 O +ATOM 2915 CB VAL A 388 110.726 37.708 36.753 1.00 13.49 C +ATOM 2916 CG1 VAL A 388 111.971 37.362 37.632 1.00 13.27 C +ATOM 2917 CG2 VAL A 388 109.543 37.844 37.686 1.00 13.01 C +ATOM 2918 N GLY A 389 112.553 37.894 34.098 1.00 13.49 N +ATOM 2919 CA GLY A 389 113.809 37.822 33.370 1.00 13.10 C +ATOM 2920 C GLY A 389 114.227 39.171 32.757 1.00 14.08 C +ATOM 2921 O GLY A 389 115.463 39.422 32.656 1.00 13.49 O +ATOM 2922 N LEU A 390 113.336 40.032 32.291 1.00 14.00 N +ATOM 2923 CA LEU A 390 113.751 41.291 31.661 1.00 14.85 C +ATOM 2924 C LEU A 390 114.199 42.295 32.711 1.00 16.21 C +ATOM 2925 O LEU A 390 114.805 43.326 32.420 1.00 15.12 O +ATOM 2926 CB LEU A 390 112.535 41.837 30.841 1.00 14.90 C +ATOM 2927 CG LEU A 390 112.340 41.288 29.445 1.00 14.98 C +ATOM 2928 CD1 LEU A 390 111.356 42.116 28.618 1.00 13.53 C +ATOM 2929 CD2 LEU A 390 113.646 41.407 28.620 1.00 14.72 C +ATOM 2930 N ARG A 391 113.775 41.933 33.969 1.00 17.43 N +ATOM 2931 CA ARG A 391 114.079 42.777 35.128 1.00 17.74 C +ATOM 2932 C ARG A 391 113.511 44.163 34.957 1.00 17.81 C +ATOM 2933 O ARG A 391 114.230 45.086 35.394 1.00 18.98 O +ATOM 2934 CB ARG A 391 115.589 42.922 35.297 1.00 19.26 C +ATOM 2935 CG ARG A 391 116.064 43.385 36.679 1.00 20.39 C +ATOM 2936 CD ARG A 391 117.541 43.092 36.718 1.00 22.40 C +ATOM 2937 NE ARG A 391 118.145 42.862 38.046 1.00 23.77 N +ATOM 2938 CZ ARG A 391 118.652 43.913 38.710 1.00 24.50 C +ATOM 2939 NH1 ARG A 391 118.754 45.130 38.235 1.00 24.53 N +ATOM 2940 NH2 ARG A 391 119.060 43.833 39.981 1.00 25.42 N +ATOM 2941 N THR A 392 112.324 44.392 34.459 1.00 17.57 N +ATOM 2942 CA THR A 392 111.744 45.700 34.189 1.00 17.04 C +ATOM 2943 C THR A 392 111.174 46.430 35.388 1.00 17.13 C +ATOM 2944 O THR A 392 111.202 47.672 35.324 1.00 16.31 O +ATOM 2945 CB THR A 392 110.685 45.651 33.000 1.00 16.11 C +ATOM 2946 OG1 THR A 392 109.376 45.475 33.675 1.00 16.61 O +ATOM 2947 CG2 THR A 392 110.941 44.450 32.100 1.00 15.22 C +ATOM 2948 N GLY A 393 110.640 45.670 36.358 1.00 17.31 N +ATOM 2949 CA GLY A 393 110.077 46.320 37.560 1.00 15.90 C +ATOM 2950 C GLY A 393 108.667 46.760 37.450 1.00 15.76 C +ATOM 2951 O GLY A 393 108.189 47.425 38.427 1.00 16.38 O +ATOM 2952 N GLN A 394 107.905 46.482 36.410 1.00 14.62 N +ATOM 2953 CA GLN A 394 106.508 46.949 36.219 1.00 13.70 C +ATOM 2954 C GLN A 394 105.901 46.144 35.058 1.00 13.95 C +ATOM 2955 O GLN A 394 106.608 45.955 34.042 1.00 14.25 O +ATOM 2956 CB GLN A 394 106.384 48.433 35.845 1.00 13.28 C +ATOM 2957 CG GLN A 394 107.583 48.839 34.988 1.00 12.84 C +ATOM 2958 CD GLN A 394 107.512 50.249 34.495 1.00 12.41 C +ATOM 2959 OE1 GLN A 394 106.460 50.843 34.575 1.00 13.00 O +ATOM 2960 NE2 GLN A 394 108.517 50.894 33.976 1.00 12.01 N +ATOM 2961 N ILE A 395 104.703 45.692 35.284 1.00 13.53 N +ATOM 2962 CA ILE A 395 103.879 44.875 34.424 1.00 13.42 C +ATOM 2963 C ILE A 395 102.477 45.393 34.566 1.00 14.18 C +ATOM 2964 O ILE A 395 102.018 45.846 35.620 1.00 14.04 O +ATOM 2965 CB ILE A 395 103.886 43.376 34.831 1.00 13.17 C +ATOM 2966 CG1 ILE A 395 103.088 42.475 33.848 1.00 12.70 C +ATOM 2967 CG2 ILE A 395 103.365 43.146 36.283 1.00 13.63 C +ATOM 2968 CD1 ILE A 395 103.265 40.966 34.145 1.00 12.25 C +ATOM 2969 N LYS A 396 101.802 45.335 33.443 1.00 15.81 N +ATOM 2970 CA LYS A 396 100.388 45.772 33.274 1.00 16.68 C +ATOM 2971 C LYS A 396 99.692 44.523 32.795 1.00 17.98 C +ATOM 2972 O LYS A 396 99.851 44.029 31.672 1.00 18.61 O +ATOM 2973 CB LYS A 396 100.368 46.897 32.273 1.00 17.11 C +ATOM 2974 CG LYS A 396 98.954 47.488 32.034 1.00 16.49 C +ATOM 2975 CD LYS A 396 99.105 48.409 30.806 1.00 16.11 C +ATOM 2976 CE LYS A 396 97.755 48.876 30.355 1.00 16.41 C +ATOM 2977 NZ LYS A 396 97.993 49.722 29.176 1.00 16.85 N +ATOM 2978 N THR A 397 98.971 43.933 33.743 1.00 19.76 N +ATOM 2979 CA THR A 397 98.306 42.673 33.383 1.00 20.70 C +ATOM 2980 C THR A 397 96.882 42.568 33.855 1.00 20.75 C +ATOM 2981 O THR A 397 96.592 41.361 34.073 1.00 21.96 O +ATOM 2982 CB THR A 397 99.220 41.448 33.773 1.00 21.52 C +ATOM 2983 OG1 THR A 397 98.776 40.309 32.932 1.00 22.79 O +ATOM 2984 CG2 THR A 397 99.280 41.139 35.271 1.00 21.15 C +ATOM 2985 N GLY A 398 96.094 43.604 33.954 1.00 20.44 N +ATOM 2986 CA GLY A 398 94.696 43.490 34.363 1.00 20.06 C +ATOM 2987 C GLY A 398 94.415 43.704 35.839 1.00 20.28 C +ATOM 2988 O GLY A 398 95.311 43.836 36.679 1.00 19.90 O +ATOM 2989 N ALA A 399 93.135 43.730 36.124 1.00 20.03 N +ATOM 2990 CA ALA A 399 92.564 43.874 37.448 1.00 20.42 C +ATOM 2991 C ALA A 399 92.830 42.502 38.096 1.00 21.54 C +ATOM 2992 O ALA A 399 93.146 41.514 37.404 1.00 21.14 O +ATOM 2993 CB ALA A 399 91.063 44.100 37.276 1.00 19.38 C +ATOM 2994 N PRO A 400 92.671 42.457 39.424 1.00 22.40 N +ATOM 2995 CA PRO A 400 92.829 41.192 40.191 1.00 22.45 C +ATOM 2996 C PRO A 400 91.453 40.530 40.122 1.00 22.43 C +ATOM 2997 O PRO A 400 90.741 40.358 41.131 1.00 22.81 O +ATOM 2998 CB PRO A 400 93.211 41.622 41.598 1.00 22.65 C +ATOM 2999 CG PRO A 400 92.928 43.117 41.637 1.00 23.06 C +ATOM 3000 CD PRO A 400 92.304 43.576 40.319 1.00 22.13 C +ATOM 3001 N ALA A 401 91.065 40.177 38.894 1.00 21.90 N +ATOM 3002 CA ALA A 401 89.810 39.533 38.547 1.00 20.84 C +ATOM 3003 C ALA A 401 89.899 38.991 37.115 1.00 21.19 C +ATOM 3004 O ALA A 401 90.385 39.754 36.219 1.00 22.50 O +ATOM 3005 CB ALA A 401 88.747 40.618 38.663 1.00 20.22 C +ATOM 3006 N ARG A 402 89.377 37.798 36.888 1.00 19.30 N +ATOM 3007 CA ARG A 402 89.327 37.042 35.640 1.00 17.26 C +ATOM 3008 C ARG A 402 90.624 36.278 35.654 1.00 16.01 C +ATOM 3009 O ARG A 402 91.628 37.009 35.714 1.00 16.16 O +ATOM 3010 CB ARG A 402 89.211 37.962 34.432 1.00 18.01 C +ATOM 3011 CG ARG A 402 87.984 38.881 34.435 1.00 18.91 C +ATOM 3012 CD ARG A 402 87.807 39.668 33.164 1.00 19.45 C +ATOM 3013 NE ARG A 402 87.912 38.834 31.921 1.00 20.18 N +ATOM 3014 CZ ARG A 402 86.902 39.022 31.011 1.00 20.08 C +ATOM 3015 NH1 ARG A 402 85.916 39.925 31.203 1.00 19.32 N +ATOM 3016 NH2 ARG A 402 86.866 38.184 29.976 1.00 19.81 N +ATOM 3017 N SER A 403 90.729 34.987 35.606 1.00 14.98 N +ATOM 3018 CA SER A 403 91.934 34.227 35.670 1.00 14.81 C +ATOM 3019 C SER A 403 92.887 34.356 34.481 1.00 16.33 C +ATOM 3020 O SER A 403 93.976 33.728 34.552 1.00 17.00 O +ATOM 3021 CB SER A 403 91.735 32.783 36.075 1.00 14.81 C +ATOM 3022 OG SER A 403 90.827 32.738 37.149 1.00 13.57 O +ATOM 3023 N GLU A 404 92.539 35.154 33.466 1.00 16.36 N +ATOM 3024 CA GLU A 404 93.538 35.278 32.370 1.00 16.27 C +ATOM 3025 C GLU A 404 94.534 36.321 32.841 1.00 16.45 C +ATOM 3026 O GLU A 404 95.684 36.471 32.373 1.00 16.13 O +ATOM 3027 CB GLU A 404 92.852 35.571 31.048 1.00 15.73 C +ATOM 3028 CG GLU A 404 92.060 36.822 30.907 1.00 15.21 C +ATOM 3029 CD GLU A 404 90.720 36.825 31.535 1.00 15.86 C +ATOM 3030 OE1 GLU A 404 90.166 35.913 32.115 1.00 16.37 O +ATOM 3031 OE2 GLU A 404 90.272 37.985 31.367 1.00 16.55 O +ATOM 3032 N ARG A 405 94.042 37.102 33.845 1.00 16.53 N +ATOM 3033 CA ARG A 405 94.787 38.171 34.528 1.00 15.95 C +ATOM 3034 C ARG A 405 95.468 37.554 35.743 1.00 16.29 C +ATOM 3035 O ARG A 405 96.708 37.574 35.835 1.00 16.47 O +ATOM 3036 CB ARG A 405 93.885 39.315 34.943 1.00 16.46 C +ATOM 3037 CG ARG A 405 92.953 39.998 33.988 1.00 16.21 C +ATOM 3038 CD ARG A 405 93.662 40.221 32.664 1.00 17.42 C +ATOM 3039 NE ARG A 405 92.728 40.174 31.579 1.00 19.01 N +ATOM 3040 CZ ARG A 405 92.955 40.476 30.284 1.00 20.47 C +ATOM 3041 NH1 ARG A 405 94.131 41.033 29.900 1.00 20.65 N +ATOM 3042 NH2 ARG A 405 92.016 40.033 29.418 1.00 20.13 N +ATOM 3043 N LEU A 406 94.723 36.897 36.653 1.00 16.58 N +ATOM 3044 CA LEU A 406 95.244 36.257 37.858 1.00 15.55 C +ATOM 3045 C LEU A 406 96.195 35.135 37.548 1.00 15.52 C +ATOM 3046 O LEU A 406 97.059 34.928 38.461 1.00 16.65 O +ATOM 3047 CB LEU A 406 94.165 35.882 38.882 1.00 16.71 C +ATOM 3048 CG LEU A 406 93.508 37.155 39.509 1.00 17.46 C +ATOM 3049 CD1 LEU A 406 92.119 36.802 39.852 1.00 16.65 C +ATOM 3050 CD2 LEU A 406 94.476 37.672 40.582 1.00 17.61 C +ATOM 3051 N ALA A 407 96.120 34.449 36.454 1.00 14.10 N +ATOM 3052 CA ALA A 407 97.096 33.406 36.199 1.00 13.98 C +ATOM 3053 C ALA A 407 98.538 33.933 36.273 1.00 14.08 C +ATOM 3054 O ALA A 407 99.480 33.251 36.762 1.00 13.90 O +ATOM 3055 CB ALA A 407 96.801 32.687 34.893 1.00 13.79 C +ATOM 3056 N LYS A 408 98.739 35.163 35.784 1.00 13.99 N +ATOM 3057 CA LYS A 408 100.017 35.835 35.723 1.00 13.36 C +ATOM 3058 C LYS A 408 100.451 36.359 37.104 1.00 13.26 C +ATOM 3059 O LYS A 408 101.649 36.281 37.449 1.00 12.94 O +ATOM 3060 CB LYS A 408 100.022 36.958 34.696 1.00 13.63 C +ATOM 3061 CG LYS A 408 100.175 36.715 33.209 1.00 14.31 C +ATOM 3062 CD LYS A 408 98.995 36.053 32.568 1.00 14.76 C +ATOM 3063 CE LYS A 408 98.782 36.404 31.071 1.00 14.82 C +ATOM 3064 NZ LYS A 408 97.748 35.472 30.539 1.00 14.37 N +ATOM 3065 N LEU A 409 99.568 36.952 37.869 1.00 12.55 N +ATOM 3066 CA LEU A 409 99.768 37.466 39.225 1.00 12.34 C +ATOM 3067 C LEU A 409 100.039 36.255 40.130 1.00 12.36 C +ATOM 3068 O LEU A 409 100.990 36.378 40.868 1.00 13.01 O +ATOM 3069 CB LEU A 409 98.526 38.317 39.538 1.00 12.18 C +ATOM 3070 CG LEU A 409 98.226 39.502 38.613 1.00 11.62 C +ATOM 3071 CD1 LEU A 409 96.960 40.150 39.087 1.00 11.60 C +ATOM 3072 CD2 LEU A 409 99.305 40.566 38.655 1.00 11.02 C +ATOM 3073 N ASN A 410 99.451 35.090 40.020 1.00 11.95 N +ATOM 3074 CA ASN A 410 99.649 33.878 40.792 1.00 12.05 C +ATOM 3075 C ASN A 410 101.029 33.343 40.511 1.00 12.73 C +ATOM 3076 O ASN A 410 101.730 32.824 41.399 1.00 13.06 O +ATOM 3077 CB ASN A 410 98.594 32.783 40.574 1.00 12.10 C +ATOM 3078 CG ASN A 410 97.231 33.132 41.122 1.00 12.29 C +ATOM 3079 OD1 ASN A 410 97.117 34.075 41.971 1.00 12.30 O +ATOM 3080 ND2 ASN A 410 96.148 32.511 40.678 1.00 11.76 N +ATOM 3081 N GLN A 411 101.431 33.494 39.260 1.00 12.06 N +ATOM 3082 CA GLN A 411 102.724 32.999 38.845 1.00 11.54 C +ATOM 3083 C GLN A 411 103.783 33.823 39.480 1.00 11.48 C +ATOM 3084 O GLN A 411 104.858 33.360 39.861 1.00 12.84 O +ATOM 3085 CB GLN A 411 102.810 33.097 37.309 1.00 12.87 C +ATOM 3086 CG GLN A 411 104.110 32.535 36.798 1.00 14.52 C +ATOM 3087 CD GLN A 411 104.240 31.063 37.111 1.00 16.44 C +ATOM 3088 OE1 GLN A 411 103.517 30.230 37.674 1.00 16.98 O +ATOM 3089 NE2 GLN A 411 105.423 30.554 36.670 1.00 17.88 N +ATOM 3090 N LEU A 412 103.641 35.130 39.590 1.00 11.32 N +ATOM 3091 CA LEU A 412 104.636 36.015 40.245 1.00 10.09 C +ATOM 3092 C LEU A 412 104.715 35.720 41.756 1.00 9.58 C +ATOM 3093 O LEU A 412 105.795 35.953 42.338 1.00 9.69 O +ATOM 3094 CB LEU A 412 104.140 37.415 39.841 1.00 10.83 C +ATOM 3095 CG LEU A 412 104.521 37.946 38.443 1.00 10.91 C +ATOM 3096 CD1 LEU A 412 103.841 39.281 38.140 1.00 10.37 C +ATOM 3097 CD2 LEU A 412 106.025 38.025 38.261 1.00 10.83 C +ATOM 3098 N LEU A 413 103.673 35.260 42.416 1.00 9.14 N +ATOM 3099 CA LEU A 413 103.538 34.873 43.827 1.00 9.63 C +ATOM 3100 C LEU A 413 104.522 33.697 43.992 1.00 10.83 C +ATOM 3101 O LEU A 413 105.359 33.688 44.853 1.00 10.46 O +ATOM 3102 CB LEU A 413 102.138 34.391 44.296 1.00 7.72 C +ATOM 3103 CG LEU A 413 101.185 35.547 44.534 1.00 7.44 C +ATOM 3104 CD1 LEU A 413 99.844 35.027 44.923 1.00 7.42 C +ATOM 3105 CD2 LEU A 413 101.766 36.495 45.591 1.00 7.62 C +ATOM 3106 N ARG A 414 104.315 32.726 43.062 1.00 12.38 N +ATOM 3107 CA ARG A 414 105.157 31.549 43.020 1.00 12.24 C +ATOM 3108 C ARG A 414 106.596 31.866 42.781 1.00 13.44 C +ATOM 3109 O ARG A 414 107.496 31.319 43.466 1.00 14.63 O +ATOM 3110 CB ARG A 414 104.723 30.530 41.945 1.00 12.12 C +ATOM 3111 CG ARG A 414 103.229 30.236 42.139 1.00 10.84 C +ATOM 3112 CD ARG A 414 103.058 28.930 41.428 1.00 10.44 C +ATOM 3113 NE ARG A 414 101.634 28.763 41.283 1.00 9.74 N +ATOM 3114 CZ ARG A 414 100.889 29.175 40.271 1.00 9.70 C +ATOM 3115 NH1 ARG A 414 101.292 29.766 39.114 1.00 9.55 N +ATOM 3116 NH2 ARG A 414 99.610 29.019 40.541 1.00 8.56 N +ATOM 3117 N ILE A 415 106.930 32.702 41.819 1.00 14.51 N +ATOM 3118 CA ILE A 415 108.375 32.975 41.571 1.00 14.41 C +ATOM 3119 C ILE A 415 108.990 33.657 42.799 1.00 14.51 C +ATOM 3120 O ILE A 415 110.144 33.498 43.153 1.00 14.44 O +ATOM 3121 CB ILE A 415 108.432 33.905 40.296 1.00 14.75 C +ATOM 3122 CG1 ILE A 415 108.169 33.125 38.988 1.00 15.14 C +ATOM 3123 CG2 ILE A 415 109.701 34.802 40.204 1.00 13.21 C +ATOM 3124 CD1 ILE A 415 107.526 34.056 37.879 1.00 15.42 C +ATOM 3125 N GLU A 416 108.324 34.609 43.385 1.00 15.53 N +ATOM 3126 CA GLU A 416 108.705 35.392 44.514 1.00 17.47 C +ATOM 3127 C GLU A 416 109.068 34.424 45.655 1.00 19.73 C +ATOM 3128 O GLU A 416 110.158 34.557 46.164 1.00 19.96 O +ATOM 3129 CB GLU A 416 107.582 36.216 45.118 1.00 17.24 C +ATOM 3130 CG GLU A 416 108.134 37.090 46.246 1.00 17.21 C +ATOM 3131 CD GLU A 416 107.187 38.128 46.720 1.00 17.81 C +ATOM 3132 OE1 GLU A 416 106.042 37.949 47.093 1.00 19.03 O +ATOM 3133 OE2 GLU A 416 107.653 39.288 46.681 1.00 18.25 O +ATOM 3134 N GLU A 417 108.172 33.504 45.964 1.00 21.85 N +ATOM 3135 CA GLU A 417 108.309 32.528 47.031 1.00 23.56 C +ATOM 3136 C GLU A 417 109.517 31.678 46.820 1.00 24.62 C +ATOM 3137 O GLU A 417 110.326 31.406 47.743 1.00 26.28 O +ATOM 3138 CB GLU A 417 107.070 31.715 47.158 1.00 24.87 C +ATOM 3139 CG GLU A 417 107.012 30.404 47.886 1.00 27.60 C +ATOM 3140 CD GLU A 417 105.618 29.808 48.005 1.00 29.54 C +ATOM 3141 OE1 GLU A 417 104.723 30.471 48.617 1.00 29.84 O +ATOM 3142 OE2 GLU A 417 105.456 28.702 47.458 1.00 30.66 O +ATOM 3143 N GLU A 418 109.793 31.298 45.621 1.00 24.44 N +ATOM 3144 CA GLU A 418 110.876 30.462 45.127 1.00 24.05 C +ATOM 3145 C GLU A 418 112.204 31.174 45.152 1.00 22.70 C +ATOM 3146 O GLU A 418 113.259 30.531 45.350 1.00 22.38 O +ATOM 3147 CB GLU A 418 110.427 30.066 43.723 1.00 26.05 C +ATOM 3148 CG GLU A 418 111.165 29.275 42.712 1.00 29.11 C +ATOM 3149 CD GLU A 418 110.523 29.035 41.348 1.00 30.77 C +ATOM 3150 OE1 GLU A 418 109.417 28.471 41.300 1.00 32.27 O +ATOM 3151 OE2 GLU A 418 111.255 29.457 40.408 1.00 31.04 O +ATOM 3152 N LEU A 419 112.271 32.460 44.940 1.00 20.97 N +ATOM 3153 CA LEU A 419 113.553 33.149 44.948 1.00 20.51 C +ATOM 3154 C LEU A 419 114.140 33.422 46.345 1.00 20.87 C +ATOM 3155 O LEU A 419 115.369 33.702 46.357 1.00 20.05 O +ATOM 3156 CB LEU A 419 113.372 34.349 44.023 1.00 19.71 C +ATOM 3157 CG LEU A 419 113.349 33.966 42.526 1.00 19.12 C +ATOM 3158 CD1 LEU A 419 113.059 35.274 41.820 1.00 18.95 C +ATOM 3159 CD2 LEU A 419 114.763 33.466 42.269 1.00 18.16 C +ATOM 3160 N GLY A 420 113.299 33.367 47.385 1.00 20.55 N +ATOM 3161 CA GLY A 420 113.797 33.563 48.739 1.00 21.35 C +ATOM 3162 C GLY A 420 114.420 34.945 48.797 1.00 21.85 C +ATOM 3163 O GLY A 420 113.692 35.839 48.337 1.00 22.60 O +ATOM 3164 N ASP A 421 115.620 35.084 49.301 1.00 21.74 N +ATOM 3165 CA ASP A 421 116.274 36.398 49.445 1.00 22.75 C +ATOM 3166 C ASP A 421 116.911 36.935 48.159 1.00 24.07 C +ATOM 3167 O ASP A 421 117.506 38.035 48.160 1.00 24.19 O +ATOM 3168 CB ASP A 421 117.344 36.290 50.534 1.00 21.99 C +ATOM 3169 CG ASP A 421 117.076 36.130 52.010 1.00 21.42 C +ATOM 3170 OD1 ASP A 421 115.962 35.887 52.456 1.00 20.29 O +ATOM 3171 OD2 ASP A 421 118.075 36.290 52.800 1.00 21.04 O +ATOM 3172 N ASN A 422 116.814 36.137 47.085 1.00 25.41 N +ATOM 3173 CA ASN A 422 117.371 36.486 45.763 1.00 26.23 C +ATOM 3174 C ASN A 422 116.450 37.400 44.941 1.00 26.54 C +ATOM 3175 O ASN A 422 116.806 37.681 43.774 1.00 27.44 O +ATOM 3176 CB ASN A 422 117.738 35.205 45.014 1.00 26.69 C +ATOM 3177 CG ASN A 422 119.051 34.730 45.573 1.00 27.52 C +ATOM 3178 OD1 ASN A 422 119.832 35.609 45.928 1.00 28.32 O +ATOM 3179 ND2 ASN A 422 119.352 33.454 45.745 1.00 28.23 N +ATOM 3180 N ALA A 423 115.363 37.849 45.511 1.00 25.53 N +ATOM 3181 CA ALA A 423 114.388 38.688 44.907 1.00 25.53 C +ATOM 3182 C ALA A 423 114.140 39.999 45.666 1.00 26.16 C +ATOM 3183 O ALA A 423 114.043 39.907 46.899 1.00 26.58 O +ATOM 3184 CB ALA A 423 113.040 37.918 44.953 1.00 24.92 C +ATOM 3185 N VAL A 424 113.967 41.109 44.996 1.00 25.26 N +ATOM 3186 CA VAL A 424 113.646 42.376 45.663 1.00 25.10 C +ATOM 3187 C VAL A 424 112.378 42.864 44.939 1.00 24.47 C +ATOM 3188 O VAL A 424 112.274 42.484 43.746 1.00 25.23 O +ATOM 3189 CB VAL A 424 114.820 43.351 45.599 1.00 25.66 C +ATOM 3190 CG1 VAL A 424 116.134 42.608 45.875 1.00 26.24 C +ATOM 3191 CG2 VAL A 424 114.942 44.090 44.275 1.00 25.56 C +ATOM 3192 N PHE A 425 111.516 43.608 45.582 1.00 22.45 N +ATOM 3193 CA PHE A 425 110.290 44.101 44.914 1.00 20.44 C +ATOM 3194 C PHE A 425 110.737 45.441 44.368 1.00 20.93 C +ATOM 3195 O PHE A 425 111.448 46.072 45.147 1.00 21.54 O +ATOM 3196 CB PHE A 425 109.232 44.109 45.940 1.00 17.78 C +ATOM 3197 CG PHE A 425 108.009 44.809 45.559 1.00 16.62 C +ATOM 3198 CD1 PHE A 425 107.201 44.340 44.521 1.00 16.04 C +ATOM 3199 CD2 PHE A 425 107.642 45.950 46.267 1.00 16.12 C +ATOM 3200 CE1 PHE A 425 106.022 45.025 44.208 1.00 15.86 C +ATOM 3201 CE2 PHE A 425 106.488 46.639 45.937 1.00 16.08 C +ATOM 3202 CZ PHE A 425 105.654 46.168 44.905 1.00 16.09 C +ATOM 3203 N ALA A 426 110.464 45.875 43.158 1.00 21.34 N +ATOM 3204 CA ALA A 426 110.922 47.163 42.640 1.00 21.09 C +ATOM 3205 C ALA A 426 110.394 48.373 43.413 1.00 21.39 C +ATOM 3206 O ALA A 426 110.908 49.502 43.402 1.00 20.58 O +ATOM 3207 CB ALA A 426 110.598 47.261 41.137 1.00 20.82 C +ATOM 3208 N GLY A 427 109.272 48.228 44.088 1.00 22.26 N +ATOM 3209 CA GLY A 427 108.660 49.323 44.854 1.00 23.35 C +ATOM 3210 C GLY A 427 108.503 50.606 44.065 1.00 24.67 C +ATOM 3211 O GLY A 427 107.811 50.788 43.049 1.00 24.83 O +ATOM 3212 N GLU A 428 109.219 51.588 44.555 1.00 25.80 N +ATOM 3213 CA GLU A 428 109.213 52.956 44.046 1.00 26.46 C +ATOM 3214 C GLU A 428 110.237 53.157 42.943 1.00 25.64 C +ATOM 3215 O GLU A 428 110.297 54.266 42.391 1.00 25.42 O +ATOM 3216 CB GLU A 428 109.694 53.924 45.102 1.00 28.22 C +ATOM 3217 CG GLU A 428 108.946 54.335 46.282 1.00 31.18 C +ATOM 3218 CD GLU A 428 107.519 54.627 46.492 1.00 33.12 C +ATOM 3219 OE1 GLU A 428 106.975 55.354 45.610 1.00 34.97 O +ATOM 3220 OE2 GLU A 428 106.923 54.161 47.494 1.00 34.24 O +ATOM 3221 N ASN A 429 111.002 52.142 42.763 1.00 25.01 N +ATOM 3222 CA ASN A 429 112.040 52.192 41.728 1.00 25.47 C +ATOM 3223 C ASN A 429 111.499 51.441 40.513 1.00 24.58 C +ATOM 3224 O ASN A 429 112.357 50.951 39.779 1.00 25.02 O +ATOM 3225 CB ASN A 429 113.224 51.407 42.244 1.00 27.31 C +ATOM 3226 CG ASN A 429 113.796 52.173 43.423 1.00 29.82 C +ATOM 3227 OD1 ASN A 429 113.954 53.414 43.281 1.00 31.25 O +ATOM 3228 ND2 ASN A 429 114.043 51.434 44.509 1.00 30.72 N +ATOM 3229 N PHE A 430 110.208 51.332 40.420 1.00 23.05 N +ATOM 3230 CA PHE A 430 109.619 50.594 39.277 1.00 21.84 C +ATOM 3231 C PHE A 430 110.178 51.154 37.977 1.00 21.94 C +ATOM 3232 O PHE A 430 110.620 50.336 37.177 1.00 21.93 O +ATOM 3233 CB PHE A 430 108.079 50.590 39.383 1.00 19.84 C +ATOM 3234 CG PHE A 430 107.478 51.914 39.158 1.00 19.66 C +ATOM 3235 CD1 PHE A 430 107.360 52.395 37.825 1.00 19.39 C +ATOM 3236 CD2 PHE A 430 107.066 52.777 40.176 1.00 19.25 C +ATOM 3237 CE1 PHE A 430 106.822 53.655 37.547 1.00 18.86 C +ATOM 3238 CE2 PHE A 430 106.521 54.034 39.903 1.00 18.58 C +ATOM 3239 CZ PHE A 430 106.393 54.476 38.593 1.00 18.71 C +ATOM 3240 N HIS A 431 110.246 52.440 37.764 1.00 22.27 N +ATOM 3241 CA HIS A 431 110.673 53.054 36.489 1.00 23.72 C +ATOM 3242 C HIS A 431 111.933 52.469 35.934 1.00 24.69 C +ATOM 3243 O HIS A 431 112.044 52.055 34.778 1.00 24.55 O +ATOM 3244 CB HIS A 431 110.673 54.601 36.544 1.00 23.53 C +ATOM 3245 CG HIS A 431 111.051 55.192 35.225 1.00 23.39 C +ATOM 3246 ND1 HIS A 431 110.277 55.120 34.091 1.00 23.27 N +ATOM 3247 CD2 HIS A 431 112.172 55.856 34.889 1.00 23.03 C +ATOM 3248 CE1 HIS A 431 110.948 55.754 33.149 1.00 23.19 C +ATOM 3249 NE2 HIS A 431 112.096 56.178 33.585 1.00 22.75 N +ATOM 3250 N HIS A 432 112.912 52.365 36.814 1.00 26.59 N +ATOM 3251 CA HIS A 432 114.217 51.762 36.511 1.00 27.61 C +ATOM 3252 C HIS A 432 114.421 50.457 37.255 1.00 26.81 C +ATOM 3253 O HIS A 432 115.524 50.406 37.847 1.00 27.82 O +ATOM 3254 CB HIS A 432 115.452 52.634 36.794 1.00 29.79 C +ATOM 3255 CG HIS A 432 115.644 53.601 35.655 1.00 32.41 C +ATOM 3256 ND1 HIS A 432 115.775 54.979 35.782 1.00 33.14 N +ATOM 3257 CD2 HIS A 432 115.775 53.282 34.324 1.00 33.25 C +ATOM 3258 CE1 HIS A 432 115.957 55.489 34.569 1.00 33.83 C +ATOM 3259 NE2 HIS A 432 115.975 54.492 33.680 1.00 34.18 N +ATOM 3260 N GLY A 433 113.519 49.505 37.221 1.00 25.48 N +ATOM 3261 CA GLY A 433 113.849 48.282 37.971 1.00 24.80 C +ATOM 3262 C GLY A 433 115.093 47.566 37.446 1.00 24.81 C +ATOM 3263 O GLY A 433 115.667 46.784 38.239 1.00 23.31 O +ATOM 3264 N ASP A 434 115.490 47.807 36.195 1.00 25.18 N +ATOM 3265 CA ASP A 434 116.634 47.190 35.516 1.00 26.31 C +ATOM 3266 C ASP A 434 118.017 47.523 36.081 1.00 27.36 C +ATOM 3267 O ASP A 434 118.970 46.758 35.928 1.00 26.26 O +ATOM 3268 CB ASP A 434 116.663 47.451 33.970 1.00 25.98 C +ATOM 3269 CG ASP A 434 116.800 48.910 33.567 1.00 25.95 C +ATOM 3270 OD1 ASP A 434 115.991 49.828 33.847 1.00 25.48 O +ATOM 3271 OD2 ASP A 434 117.836 49.202 32.913 1.00 25.79 O +ATOM 3272 N LYS A 435 118.100 48.670 36.695 1.00 30.03 N +ATOM 3273 CA LYS A 435 119.279 49.257 37.301 1.00 32.88 C +ATOM 3274 C LYS A 435 119.336 49.083 38.806 1.00 34.08 C +ATOM 3275 O LYS A 435 120.289 49.629 39.350 1.00 35.06 O +ATOM 3276 CB LYS A 435 119.392 50.764 37.060 1.00 34.04 C +ATOM 3277 CG LYS A 435 119.638 51.046 35.569 1.00 36.02 C +ATOM 3278 CD LYS A 435 118.998 52.291 35.031 1.00 37.61 C +ATOM 3279 CE LYS A 435 119.804 53.577 35.015 1.00 38.90 C +ATOM 3280 NZ LYS A 435 119.116 54.580 34.103 1.00 40.50 N +ATOM 3281 N LEU A 436 118.418 48.364 39.382 1.00 35.27 N +ATOM 3282 CA LEU A 436 118.416 48.079 40.846 1.00 35.99 C +ATOM 3283 C LEU A 436 119.524 47.040 41.094 1.00 36.84 C +ATOM 3284 O LEU A 436 119.500 46.241 42.063 1.00 37.42 O +ATOM 3285 CB LEU A 436 116.993 47.703 41.172 1.00 35.23 C +ATOM 3286 CG LEU A 436 116.240 47.998 42.425 1.00 35.22 C +ATOM 3287 CD1 LEU A 436 115.973 49.493 42.625 1.00 34.96 C +ATOM 3288 CD2 LEU A 436 114.909 47.246 42.305 1.00 34.95 C +ATOM 3289 OXT LEU A 436 120.449 47.006 40.239 1.00 37.57 O +TER 3290 LEU A 436 +HETATM 3291 S SO4 A 444 94.852 45.678 23.325 1.00 40.89 S +HETATM 3292 O1 SO4 A 444 94.831 46.552 24.494 1.00 40.88 O +HETATM 3293 O2 SO4 A 444 95.876 45.958 22.233 1.00 42.01 O +HETATM 3294 O3 SO4 A 444 93.531 45.583 22.592 1.00 41.45 O +HETATM 3295 O4 SO4 A 444 95.213 44.267 23.620 1.00 41.77 O +HETATM 3296 O HOH A 445 100.729 54.242 32.677 1.00 22.08 O +HETATM 3297 O HOH A 446 98.102 60.063 14.378 1.00 65.81 O +HETATM 3298 O HOH A 447 96.723 48.665 26.304 1.00 50.25 O +HETATM 3299 O HOH A 448 75.705 52.454 29.205 1.00 47.05 O +HETATM 3300 O HOH A 449 96.886 52.984 24.636 1.00 21.65 O +HETATM 3301 O HOH A 450 104.796 50.027 22.170 1.00 16.44 O +HETATM 3302 O HOH A 451 107.168 42.459 12.374 0.99 32.54 O +HETATM 3303 O HOH A 452 100.506 37.973 27.006 0.89 27.81 O +HETATM 3304 O HOH A 453 104.039 41.247 26.111 1.00 17.03 O +HETATM 3305 O HOH A 454 101.769 69.071 24.321 1.00 22.03 O +HETATM 3306 O HOH A 455 99.049 57.225 21.123 0.97 21.70 O +HETATM 3307 O HOH A 456 101.518 34.108 25.888 1.00 28.17 O +HETATM 3308 O HOH A 457 115.419 29.731 23.639 1.00 17.21 O +HETATM 3309 O HOH A 458 89.798 28.612 14.742 1.00 15.63 O +HETATM 3310 O HOH A 459 105.524 30.845 32.479 1.00 24.65 O +HETATM 3311 O HOH A 460 101.623 28.764 30.898 0.94 21.02 O +HETATM 3312 O HOH A 461 101.040 23.860 29.921 0.82 43.74 O +HETATM 3313 O HOH A 462 115.626 19.990 22.074 0.91 36.88 O +HETATM 3314 O HOH A 463 104.827 23.986 28.498 1.00 21.23 O +HETATM 3315 O HOH A 464 106.601 23.731 30.543 1.00 38.30 O +HETATM 3316 O HOH A 465 99.062 48.939 20.563 1.00 39.44 O +HETATM 3317 O HOH A 466 105.779 46.119 15.465 0.95 28.13 O +HETATM 3318 O HOH A 467 96.995 31.549 4.648 0.84 35.84 O +HETATM 3319 O HOH A 468 99.509 41.155 15.953 1.00 28.13 O +HETATM 3320 O HOH A 469 98.907 43.664 17.415 0.90 32.26 O +HETATM 3321 O HOH A 470 103.845 14.757 21.175 0.75 54.98 O +HETATM 3322 O HOH A 471 104.488 18.335 19.326 1.00 28.41 O +HETATM 3323 O HOH A 472 83.573 38.764 9.151 1.00 78.68 O +HETATM 3324 O HOH A 473 85.467 40.974 12.301 0.84 81.35 O +HETATM 3325 O HOH A 474 102.778 67.654 15.626 1.00 50.40 O +HETATM 3326 O HOH A 475 101.605 69.254 18.048 1.00 26.01 O +HETATM 3327 O HOH A 476 102.901 63.413 12.070 0.86 39.68 O +HETATM 3328 O HOH A 477 94.281 38.356 8.366 0.98 43.01 O +HETATM 3329 O HOH A 478 101.512 72.858 16.042 0.77 56.47 O +HETATM 3330 O HOH A 479 118.706 52.868 22.241 0.96 26.10 O +HETATM 3331 O HOH A 480 113.497 60.826 26.405 1.00 37.24 O +HETATM 3332 O HOH A 481 109.350 64.907 32.346 1.00 52.21 O +HETATM 3333 O HOH A 482 110.542 42.646 37.187 1.00 9.35 O +HETATM 3334 O HOH A 483 119.976 32.785 39.609 0.79 44.96 O +HETATM 3335 O HOH A 484 119.147 43.694 34.046 1.00 39.13 O +HETATM 3336 O HOH A 485 117.073 39.186 35.670 1.00 33.38 O +HETATM 3337 O HOH A 486 108.951 29.770 35.812 1.00 25.52 O +HETATM 3338 O HOH A 487 97.630 24.192 29.010 0.99 32.60 O +HETATM 3339 O HOH A 488 121.806 36.557 32.912 0.91 41.67 O +HETATM 3340 O HOH A 489 104.995 35.058 47.546 1.00 47.09 O +HETATM 3341 O HOH A 490 110.807 25.328 37.282 0.88 44.83 O +HETATM 3342 O HOH A 491 114.502 20.827 33.908 1.00 58.38 O +HETATM 3343 O HOH A 492 98.768 34.474 26.368 1.00 35.41 O +HETATM 3344 O HOH A 493 112.065 24.805 32.972 0.95 44.98 O +HETATM 3345 O HOH A 494 101.267 35.246 28.822 0.97 27.91 O +HETATM 3346 O HOH A 495 104.148 26.115 35.973 0.86 85.24 O +HETATM 3347 O HOH A 496 103.143 27.624 38.000 0.97 43.63 O +HETATM 3348 O HOH A 497 101.148 27.646 28.110 0.99 36.70 O +HETATM 3349 O HOH A 498 109.348 27.624 34.653 1.00 36.37 O +HETATM 3350 O HOH A 499 97.339 28.473 33.527 1.00 20.03 O +HETATM 3351 O HOH A 500 95.571 24.698 31.279 1.00 18.72 O +HETATM 3352 O HOH A 501 87.277 30.225 10.015 1.00 23.27 O +HETATM 3353 O HOH A 502 90.118 39.618 9.248 0.99 87.56 O +HETATM 3354 O HOH A 503 97.714 26.473 29.730 1.00 39.46 O +HETATM 3355 O HOH A 504 117.372 21.670 20.647 1.00 48.28 O +HETATM 3356 O HOH A 505 94.351 21.197 6.828 0.57 69.46 O +HETATM 3357 O HOH A 506 95.343 21.251 14.878 0.99 25.20 O +HETATM 3358 O HOH A 507 93.389 25.147 29.609 0.96 5.31 O +HETATM 3359 O HOH A 508 98.843 26.575 27.581 1.00 77.95 O +HETATM 3360 O HOH A 509 110.163 25.077 30.725 0.98 27.89 O +HETATM 3361 O HOH A 510 91.688 31.410 27.591 1.00 16.70 O +HETATM 3362 O HOH A 511 104.857 58.976 11.455 1.00 62.59 O +HETATM 3363 O HOH A 512 113.880 19.111 31.579 1.00 83.89 O +HETATM 3364 O HOH A 513 81.066 48.402 35.766 0.89 35.15 O +HETATM 3365 O HOH A 514 95.919 45.807 26.543 1.00 47.03 O +HETATM 3366 O HOH A 515 84.862 34.739 17.690 1.00 24.58 O +HETATM 3367 O HOH A 516 103.971 66.274 14.636 1.00 55.23 O +HETATM 3368 O HOH A 517 99.150 56.307 12.203 1.00 59.61 O +HETATM 3369 O HOH A 518 94.040 58.697 15.686 0.71 57.58 O +HETATM 3370 O HOH A 519 74.518 66.261 17.248 0.83 70.51 O +HETATM 3371 O HOH A 520 97.876 50.162 17.295 1.00 56.18 O +HETATM 3372 O HOH A 521 105.667 46.222 10.047 1.00 48.44 O +HETATM 3373 O HOH A 522 102.825 48.980 22.026 0.98 42.95 O +HETATM 3374 O HOH A 523 89.183 54.533 24.320 1.00 27.45 O +HETATM 3375 O HOH A 524 86.634 53.333 18.931 0.80 54.95 O +HETATM 3376 O HOH A 525 92.596 43.882 20.208 1.00 38.13 O +HETATM 3377 O HOH A 526 90.035 55.358 17.693 0.97 54.39 O +HETATM 3378 O HOH A 527 89.361 39.568 27.971 1.00 19.53 O +HETATM 3379 O HOH A 528 95.413 46.957 28.540 1.00 28.81 O +HETATM 3380 O HOH A 529 106.856 53.488 11.320 0.92 63.30 O +HETATM 3381 O HOH A 530 123.280 40.810 23.801 0.94 42.45 O +HETATM 3382 O HOH A 531 116.391 51.797 19.120 1.00 44.91 O +HETATM 3383 O HOH A 532 116.875 36.170 21.818 1.00 30.92 O +HETATM 3384 O HOH A 533 86.957 56.488 18.061 1.00 56.37 O +HETATM 3385 O HOH A 534 88.718 27.128 18.338 0.98 27.12 O +HETATM 3386 O HOH A 535 109.509 13.094 24.064 0.81 53.97 O +HETATM 3387 O HOH A 536 118.530 30.095 11.994 0.99 27.60 O +HETATM 3388 O HOH A 537 112.335 14.706 9.162 1.00 71.97 O +HETATM 3389 O HOH A 538 83.639 43.724 45.839 1.00 50.58 O +HETATM 3390 O HOH A 539 110.714 31.476 50.431 1.00 56.04 O +HETATM 3391 O HOH A 540 100.943 40.507 53.263 1.00 38.09 O +HETATM 3392 O HOH A 541 96.077 46.532 34.099 1.00 28.01 O +HETATM 3393 O HOH A 542 84.307 38.999 38.594 0.97 25.96 O +HETATM 3394 O HOH A 543 120.166 33.409 21.333 1.00 35.40 O +HETATM 3395 O HOH A 544 120.399 47.281 27.087 0.65 32.96 O +HETATM 3396 O HOH A 545 112.764 48.980 45.706 0.87 56.57 O +HETATM 3397 O HOH A 546 93.525 64.052 45.977 1.00 60.04 O +HETATM 3398 O HOH A 547 97.771 57.257 47.838 1.00 27.39 O +HETATM 3399 O HOH A 548 90.915 41.311 48.833 1.00 26.46 O +HETATM 3400 O HOH A 549 79.896 33.362 12.685 0.92 15.84 O +HETATM 3401 O HOH A 550 77.226 25.996 11.254 1.00 32.03 O +HETATM 3402 O HOH A 551 77.185 35.383 13.146 0.80 38.10 O +HETATM 3403 O HOH A 552 88.989 45.896 25.466 1.00 47.53 O +HETATM 3404 O HOH A 553 91.050 65.923 10.312 0.95 57.97 O +HETATM 3405 O HOH A 554 86.773 65.471 31.678 1.00 48.82 O +HETATM 3406 O HOH A 555 83.494 54.431 32.915 0.98 38.51 O +HETATM 3407 O HOH A 556 84.957 39.864 21.290 1.00 40.00 O +HETATM 3408 O HOH A 557 83.584 38.504 24.534 0.98 20.04 O +HETATM 3409 O HOH A 558 84.155 37.716 17.969 1.00 32.22 O +HETATM 3410 O HOH A 559 86.446 46.270 28.289 1.00 47.23 O +HETATM 3411 O HOH A 560 115.139 21.701 15.027 1.00 39.78 O +HETATM 3412 O HOH A 561 115.175 19.259 14.773 1.00 33.65 O +HETATM 3413 O HOH A 562 114.840 40.103 37.600 0.98 25.02 O +HETATM 3414 O HOH A 563 115.641 29.937 44.197 1.00 43.10 O +HETATM 3415 O HOH A 564 98.280 43.769 36.371 1.00 21.60 O +HETATM 3416 O HOH A 565 119.656 41.084 21.634 0.87 38.80 O +HETATM 3417 O HOH A 566 101.795 71.107 19.572 1.00 34.01 O +HETATM 3418 O HOH A 567 109.560 40.143 10.294 1.00 27.44 O +HETATM 3419 O HOH A 568 95.413 48.498 17.369 0.62 67.08 O +HETATM 3420 O HOH A 569 112.157 21.851 39.784 0.88 68.69 O +HETATM 3421 O HOH A 570 110.574 40.598 47.333 1.00 51.22 O +HETATM 3422 O HOH A 571 93.548 33.935 5.770 0.93 47.92 O +HETATM 3423 O HOH A 572 94.201 32.314 10.138 1.00 20.91 O +HETATM 3424 O HOH A 573 86.493 32.607 10.311 1.00 15.92 O +HETATM 3425 O HOH A 574 93.779 24.418 10.167 0.94 43.33 O +HETATM 3426 O HOH A 575 86.668 25.813 7.938 0.72 48.10 O +HETATM 3427 O HOH A 576 98.576 53.386 12.417 0.82 31.28 O +HETATM 3428 O HOH A 577 100.611 52.224 31.369 1.00 14.24 O +HETATM 3429 O HOH A 578 82.622 53.022 23.244 1.00 67.59 O +HETATM 3430 O HOH A 579 84.719 48.117 29.557 0.94 34.78 O +HETATM 3431 O HOH A 580 81.750 69.050 24.780 0.74 73.85 O +HETATM 3432 O HOH A 581 103.869 18.626 9.461 1.00 70.50 O +HETATM 3433 O HOH A 582 86.430 29.387 7.593 0.91 40.36 O +HETATM 3434 O HOH A 583 114.606 23.644 6.576 0.88 45.25 O +HETATM 3435 O HOH A 584 110.885 66.313 25.066 1.00 27.83 O +HETATM 3436 O HOH A 585 97.555 72.854 36.795 0.97 32.38 O +HETATM 3437 O HOH A 586 111.555 49.818 33.772 1.00 17.14 O +HETATM 3438 O HOH A 587 117.394 43.759 31.811 1.00 24.34 O +HETATM 3439 O HOH A 588 118.822 44.140 29.557 1.00 54.24 O +HETATM 3440 O HOH A 589 119.833 36.116 42.391 1.00 44.39 O +HETATM 3441 O HOH A 590 91.961 40.968 15.001 1.00 70.97 O +HETATM 3442 O HOH A 591 77.958 60.015 35.688 0.95 49.93 O +HETATM 3443 O HOH A 592 77.008 53.273 35.729 0.94 37.16 O +HETATM 3444 O HOH A 593 89.934 49.664 29.154 1.00 46.80 O +HETATM 3445 O HOH A 594 84.495 41.580 24.425 1.00 35.07 O +HETATM 3446 O HOH A 595 85.184 46.174 24.801 1.00 52.98 O +HETATM 3447 O HOH A 596 95.797 34.694 17.462 1.00 17.21 O +HETATM 3448 O HOH A 597 92.096 47.860 24.679 0.96 56.91 O +HETATM 3449 O HOH A 598 83.011 43.247 23.742 0.98 92.44 O +HETATM 3450 O HOH A 599 82.932 40.800 22.083 1.00 52.62 O +HETATM 3451 O HOH A 600 83.805 63.450 42.521 0.83 40.88 O +HETATM 3452 O HOH A 601 83.292 60.368 42.316 0.99 32.77 O +HETATM 3453 O HOH A 602 122.616 27.348 16.471 0.82 65.45 O +HETATM 3454 O HOH A 603 99.077 27.813 32.003 1.00 33.47 O +HETATM 3455 O HOH A 604 102.050 17.719 19.863 1.00 48.71 O +HETATM 3456 O HOH A 605 102.020 20.448 27.701 1.00 51.89 O +HETATM 3457 O HOH A 606 105.644 16.247 28.577 1.00 36.69 O +HETATM 3458 O HOH A 607 101.945 28.724 34.417 0.99 42.32 O +HETATM 3459 O HOH A 608 88.693 39.721 17.297 0.86 45.01 O +HETATM 3460 O HOH A 609 85.727 24.987 18.925 1.00 21.42 O +HETATM 3461 O HOH A 610 91.865 52.155 22.127 0.83 39.07 O +HETATM 3462 O HOH A 611 111.500 43.313 48.627 1.00 28.99 O +HETATM 3463 O HOH A 612 98.022 36.972 18.018 1.00 39.82 O +HETATM 3464 O HOH A 613 101.380 40.169 23.246 1.00 40.22 O +HETATM 3465 O HOH A 614 87.937 24.780 17.862 0.95 21.74 O +HETATM 3466 O HOH A 615 107.284 17.871 11.189 0.83 40.59 O +HETATM 3467 O HOH A 616 96.570 56.335 21.779 1.00 18.51 O +HETATM 3468 O HOH A 617 93.889 41.056 21.860 1.00 42.19 O +HETATM 3469 O HOH A 618 100.494 52.861 15.852 1.00 58.21 O +HETATM 3470 O HOH A 619 91.847 71.895 15.173 1.00 42.62 O +HETATM 3471 O HOH A 620 84.413 64.514 45.816 1.00 80.26 O +HETATM 3472 O HOH A 621 93.069 63.047 11.927 1.00 75.76 O +HETATM 3473 O HOH A 622 71.802 51.930 37.228 0.92 72.85 O +HETATM 3474 O HOH A 623 83.601 64.744 29.561 1.00 37.33 O +HETATM 3475 O HOH A 624 106.065 17.786 13.079 0.91 50.61 O +HETATM 3476 O HOH A 625 94.011 45.720 55.157 0.84 28.99 O +HETATM 3477 O HOH A 626 88.921 46.587 28.629 1.00 51.82 O +HETATM 3478 O HOH A 627 87.598 68.787 24.576 1.00 53.05 O +HETATM 3479 O HOH A 628 105.967 71.241 28.511 1.00 43.85 O +HETATM 3480 O HOH A 629 110.631 54.784 39.697 0.98 27.90 O +HETATM 3481 O HOH A 630 107.050 56.281 42.800 0.93 62.96 O +HETATM 3482 O HOH A 631 101.677 33.326 48.282 1.00 45.17 O +HETATM 3483 O HOH A 632 106.306 28.332 33.796 1.00 47.24 O +HETATM 3484 O HOH A 633 107.165 27.235 31.598 1.00 77.14 O +HETATM 3485 O HOH A 634 90.226 56.786 24.810 1.00 32.93 O +HETATM 3486 O HOH A 635 86.601 63.103 29.522 1.00 46.88 O +HETATM 3487 O HOH A 636 93.373 74.052 29.125 1.00 63.12 O +HETATM 3488 O HOH A 637 91.235 70.977 39.355 1.00 76.74 O +HETATM 3489 O HOH A 638 93.940 72.908 32.903 0.92 54.43 O +HETATM 3490 O HOH A 639 82.355 62.363 47.604 1.00 63.59 O +HETATM 3491 O HOH A 640 81.780 64.821 44.746 0.93 75.43 O +HETATM 3492 O HOH A 641 84.135 60.899 45.170 1.00 44.23 O +HETATM 3493 O HOH A 642 99.388 73.434 18.593 0.82 58.27 O +HETATM 3494 O HOH A 643 109.595 61.845 32.709 0.77 43.18 O +HETATM 3495 O HOH A 644 106.898 57.985 37.509 1.00 28.13 O +HETATM 3496 O HOH A 645 100.115 59.361 47.112 1.00 52.39 O +HETATM 3497 O HOH A 646 107.453 24.018 4.381 0.98 37.55 O +HETATM 3498 O HOH A 647 112.810 14.257 20.346 1.00 69.42 O +HETATM 3499 O HOH A 648 85.579 67.704 40.869 1.00 66.80 O +HETATM 3500 O HOH A 649 101.407 54.812 13.127 1.00 67.39 O +HETATM 3501 O HOH A 650 98.167 37.608 4.581 1.00 65.33 O +HETATM 3502 O HOH A 651 98.974 38.613 8.558 1.00 84.18 O +HETATM 3503 O HOH A 652 115.199 53.602 12.890 0.84 37.06 O +HETATM 3504 O HOH A 653 114.493 47.102 18.439 0.81 39.71 O +HETATM 3505 O HOH A 654 120.175 50.934 21.631 1.00 53.86 O +HETATM 3506 O HOH A 655 102.358 29.048 4.361 0.58 80.70 O +HETATM 3507 O HOH A 656 86.974 23.865 14.910 1.00 38.20 O +HETATM 3508 O HOH A 657 102.647 18.415 12.632 1.00 64.68 O +HETATM 3509 O HOH A 658 90.539 63.301 11.595 1.00 83.48 O +HETATM 3510 O HOH A 659 94.879 53.248 22.124 0.95 44.52 O +HETATM 3511 O HOH A 660 95.075 48.763 56.194 0.83 56.92 O +HETATM 3512 O HOH A 661 95.538 58.730 48.136 0.85 41.57 O +HETATM 3513 O HOH A 662 110.623 35.484 55.219 0.85 54.52 O +HETATM 3514 O HOH A 663 81.876 57.086 50.912 0.89 59.91 O +HETATM 3515 O HOH A 664 122.834 26.627 41.644 0.82 87.61 O +HETATM 3516 O HOH A 665 116.487 40.150 49.168 1.00 30.84 O +HETATM 3517 O HOH A 666 117.803 32.259 43.487 1.00 62.79 O +HETATM 3518 O HOH A 667 116.908 27.561 40.309 0.96 64.13 O +HETATM 3519 O HOH A 668 110.982 18.938 30.634 1.00 68.25 O +HETATM 3520 O HOH A 669 117.059 18.150 32.414 0.89 41.85 O +HETATM 3521 O HOH A 670 106.045 12.441 24.180 0.87 58.59 O +HETATM 3522 O HOH A 671 108.076 29.224 38.941 1.00 50.08 O +HETATM 3523 O HOH A 672 83.623 42.081 29.461 0.88 45.50 O +HETATM 3524 O HOH A 673 89.821 38.169 21.071 0.92 22.37 O +HETATM 3525 O HOH A 674 78.212 47.881 47.429 0.95 61.32 O +HETATM 3526 O HOH A 675 108.189 50.208 48.612 0.90 48.05 O +HETATM 3527 O HOH A 676 116.127 51.978 32.410 1.00 41.42 O +HETATM 3528 O HOH A 677 122.129 28.046 32.470 0.85 55.81 O +HETATM 3529 O HOH A 678 109.766 18.639 9.646 0.81 92.42 O +HETATM 3530 O HOH A 679 92.567 26.751 5.728 0.87 76.73 O +HETATM 3531 O HOH A 680 96.569 22.314 9.864 1.00 74.83 O +HETATM 3532 O HOH A 681 79.118 36.083 11.047 0.86 68.94 O +HETATM 3533 O HOH A 682 107.317 36.168 1.272 0.85 37.92 O +HETATM 3534 O HOH A 683 84.672 34.244 3.627 1.00 89.52 O +HETATM 3535 O HOH A 684 93.041 43.748 13.950 0.98 65.46 O +HETATM 3536 O HOH A 685 104.852 37.010 0.793 0.66 80.80 O +HETATM 3537 O HOH A 686 100.912 39.343 2.040 1.00 58.68 O +HETATM 3538 O HOH A 687 108.644 44.327 3.470 0.98 78.25 O +HETATM 3539 O HOH A 688 90.948 37.654 6.815 0.87 70.59 O +HETATM 3540 O HOH A 689 109.628 37.513 9.044 1.00 48.29 O +HETATM 3541 O HOH A 690 91.635 18.958 15.863 1.00 71.72 O +HETATM 3542 O HOH A 691 85.940 30.567 3.765 1.00 77.75 O +HETATM 3543 O HOH A 692 88.717 31.561 4.907 1.00 43.83 O +HETATM 3544 O HOH A 693 88.990 29.320 6.558 0.87 50.06 O +HETATM 3545 O HOH A 694 92.474 22.976 15.674 0.91 42.57 O +HETATM 3546 O HOH A 695 88.449 37.659 4.338 1.00 51.99 O +HETATM 3547 O HOH A 696 77.168 26.953 7.308 1.00 65.41 O +HETATM 3548 O HOH A 697 81.065 40.915 18.079 0.92 83.25 O +HETATM 3549 O HOH A 698 116.519 20.326 17.042 1.00 48.09 O +HETATM 3550 O HOH A 699 119.101 51.752 32.134 1.00 42.73 O +HETATM 3551 O HOH A 700 94.426 55.125 55.022 1.00 68.91 O +HETATM 3552 O HOH A 701 86.109 56.887 51.495 0.98 33.65 O +HETATM 3553 O HOH A 702 88.112 71.787 38.884 0.88 67.23 O +HETATM 3554 O HOH A 703 88.699 66.011 32.803 1.00 48.71 O +HETATM 3555 O HOH A 704 77.624 56.482 25.428 0.95 58.45 O +HETATM 3556 O HOH A 705 76.376 51.062 34.932 1.00 54.26 O +HETATM 3557 O HOH A 706 76.999 60.220 38.794 1.00 74.75 O +HETATM 3558 O HOH A 707 82.164 48.592 25.823 0.72 68.17 O +HETATM 3559 O HOH A 708 82.845 61.374 17.925 1.00 66.12 O +HETATM 3560 O HOH A 709 83.069 70.404 16.181 0.69 64.27 O +HETATM 3561 O HOH A 710 78.704 74.449 19.040 0.90 62.01 O +HETATM 3562 O HOH A 711 93.269 65.211 13.613 1.00 45.76 O +HETATM 3563 O HOH A 712 95.949 76.500 16.663 0.90 96.76 O +HETATM 3564 O HOH A 713 114.597 29.315 41.332 1.00 57.72 O +HETATM 3565 O HOH A 714 105.457 62.824 26.301 0.92 38.23 O +HETATM 3566 O HOH A 715 120.661 54.370 22.703 0.97 65.61 O +HETATM 3567 O HOH A 716 103.653 48.316 8.234 1.00 59.43 O +HETATM 3568 O HOH A 717 93.371 48.240 20.317 0.72 54.86 O +HETATM 3569 O HOH A 718 95.539 45.814 18.215 1.00 52.96 O +HETATM 3570 O HOH A 719 88.908 41.954 5.927 0.89 90.98 O +HETATM 3571 O HOH A 720 114.116 20.406 25.432 1.00 44.93 O +HETATM 3572 O HOH A 721 115.392 16.911 14.944 1.00 57.36 O +HETATM 3573 O HOH A 722 114.684 25.478 40.341 0.98 97.89 O +HETATM 3574 O HOH A 723 116.958 30.616 39.404 1.00 50.15 O +HETATM 3575 O HOH A 724 106.386 20.385 29.786 1.00 55.62 O +HETATM 3576 O HOH A 725 120.295 51.680 51.000 1.00 54.43 O +HETATM 3577 O HOH A 726 98.881 66.303 50.946 0.01 58.86 O +HETATM 3578 O HOH A 727 95.521 61.642 47.598 1.00 50.26 O +HETATM 3579 O HOH A 728 85.143 48.669 54.891 0.85 89.11 O +HETATM 3580 O HOH A 729 79.453 55.741 50.514 1.00 70.92 O +HETATM 3581 O HOH A 730 74.314 43.401 37.775 1.00 64.09 O +HETATM 3582 O HOH A 731 78.553 48.279 33.986 1.00 57.13 O +HETATM 3583 O HOH A 732 106.873 45.050 13.153 0.99 47.95 O +HETATM 3584 O HOH A 733 88.713 46.162 31.091 1.00 46.68 O +HETATM 3585 O HOH A 734 82.405 61.979 25.505 1.00 63.86 O +HETATM 3586 O HOH A 735 81.004 59.221 43.016 1.00 61.90 O +HETATM 3587 O HOH A 736 75.536 53.030 26.675 0.88 65.29 O +HETATM 3588 O HOH A 737 73.376 46.669 44.324 1.00 80.96 O +HETATM 3589 O HOH A 738 119.579 47.818 31.780 0.79 37.09 O +HETATM 3590 O HOH A 739 124.883 38.389 44.013 0.90 54.92 O +HETATM 3591 O HOH A 740 121.025 29.464 37.855 0.71 54.46 O +HETATM 3592 O HOH A 741 106.810 14.983 12.661 0.88 46.73 O +HETATM 3593 O HOH A 742 126.042 26.433 16.729 0.89 44.05 O +HETATM 3594 O HOH A 743 121.089 31.670 24.071 0.92 52.68 O +HETATM 3595 O HOH A 744 79.913 60.022 18.488 0.94 64.09 O +HETATM 3596 O HOH A 745 77.921 60.727 16.679 1.00 78.40 O +HETATM 3597 O HOH A 746 82.760 65.192 16.444 1.00 63.82 O +HETATM 3598 O HOH A 747 83.404 63.838 12.193 0.75 77.02 O +HETATM 3599 O HOH A 748 73.038 63.183 16.641 0.83 80.41 O +HETATM 3600 O HOH A 749 73.663 60.546 16.244 0.71 86.77 O +HETATM 3601 O HOH A 750 78.479 69.441 26.036 0.79 54.63 O +HETATM 3602 O HOH A 751 83.912 69.332 23.527 1.00 47.91 O +HETATM 3603 O HOH A 752 85.335 54.912 15.701 0.86 51.88 O +HETATM 3604 O HOH A 753 82.937 44.283 27.250 1.00 52.25 O +HETATM 3605 O HOH A 754 96.396 46.028 6.344 1.00 63.41 O +HETATM 3606 O HOH A 755 82.448 55.963 31.215 0.92 36.89 O +HETATM 3607 O HOH A 756 101.897 37.771 17.074 0.92 75.65 O +HETATM 3608 O HOH A 757 98.779 46.687 18.601 0.96 46.22 O +HETATM 3609 O HOH A 758 91.365 48.627 27.838 0.96 77.46 O +HETATM 3610 O HOH A 759 105.718 50.464 8.452 1.00 53.31 O +HETATM 3611 O HOH A 760 95.626 28.538 5.236 0.99 57.12 O +HETATM 3612 O HOH A 761 105.848 13.597 18.180 0.89 75.30 O +HETATM 3613 O HOH A 762 100.767 15.699 15.531 0.94 67.86 O +HETATM 3614 O HOH A 763 77.012 58.407 42.432 0.80 57.72 O +HETATM 3615 O HOH A 764 107.781 33.540 3.352 1.00 79.94 O +HETATM 3616 O HOH A 765 121.280 48.672 17.398 1.00 63.61 O +HETATM 3617 O HOH A 766 116.327 38.281 16.167 1.00 65.88 O +HETATM 3618 O HOH A 767 119.270 36.474 22.649 0.87 60.03 O +HETATM 3619 O HOH A 768 122.532 37.226 24.884 1.00 56.20 O +HETATM 3620 O HOH A 769 120.938 39.214 24.597 0.76 72.00 O +HETATM 3621 O HOH A 770 122.242 34.529 24.629 0.73 64.20 O +HETATM 3622 O HOH A 771 121.934 31.081 27.359 1.00 74.56 O +HETATM 3623 O HOH A 772 91.560 46.708 53.537 1.00 53.65 O +HETATM 3624 O HOH A 773 84.992 41.441 39.841 0.91 31.68 O +HETATM 3625 O HOH A 774 84.117 49.723 51.185 1.00 71.56 O +HETATM 3626 O HOH A 775 105.086 66.630 48.515 1.00 68.85 O +HETATM 3627 O HOH A 776 99.234 52.762 54.667 1.00 70.00 O +HETATM 3628 O HOH A 777 111.366 46.993 48.382 1.00 48.54 O +HETATM 3629 O HOH A 778 110.606 38.681 48.749 0.99 49.23 O +HETATM 3630 O HOH A 779 99.669 39.393 51.076 0.96 61.63 O +HETATM 3631 O HOH A 780 105.603 42.719 53.668 0.60 63.76 O +HETATM 3632 O HOH A 781 81.414 57.813 13.924 1.00 92.20 O +HETATM 3633 O HOH A 782 79.005 67.285 15.701 0.89 94.76 O +HETATM 3634 O HOH A 783 81.939 58.439 19.280 0.58 50.79 O +HETATM 3635 O HOH A 784 78.397 62.868 26.639 0.99 54.37 O +HETATM 3636 O HOH A 785 74.535 74.542 18.319 0.75 55.83 O +HETATM 3637 O HOH A 786 101.719 14.624 25.541 0.90 94.36 O +HETATM 3638 O HOH A 787 100.650 14.905 22.702 0.82 90.24 O +HETATM 3639 O HOH A 788 114.570 15.803 11.126 1.00 55.02 O +HETATM 3640 O HOH A 789 119.525 17.533 24.754 0.70 75.44 O +HETATM 3641 O HOH A 790 104.047 72.315 20.475 1.00 61.09 O +HETATM 3642 O HOH A 791 113.826 58.091 11.452 0.78 91.67 O +HETATM 3643 O HOH A 792 108.967 65.846 18.197 0.85 76.87 O +HETATM 3644 O HOH A 793 115.602 57.590 14.780 0.90 82.08 O +HETATM 3645 O HOH A 794 109.578 56.765 12.418 0.90 78.34 O +HETATM 3646 O HOH A 795 113.316 54.889 39.092 1.00 55.02 O +HETATM 3647 O HOH A 796 99.253 73.625 33.993 1.00 72.15 O +HETATM 3648 O HOH A 797 94.364 47.904 32.498 1.00 28.88 O +CONECT 3291 3292 3293 3294 3295 +CONECT 3292 3291 +CONECT 3293 3291 +CONECT 3294 3291 +CONECT 3295 3291 +MASTER 413 0 1 16 14 0 6 6 3647 1 5 34 +END diff --git a/prody/tests/proteins/test_mmtffile.py b/prody/tests/proteins/test_mmtffile.py index 5e9f722e6..e3c69a430 100644 --- a/prody/tests/proteins/test_mmtffile.py +++ b/prody/tests/proteins/test_mmtffile.py @@ -24,6 +24,8 @@ def setUp(self): self.nmr_mmtf = DATA_FILES['2k39_mmtf'] self.biomol_pdb = DATA_FILES['3enl_pdb'] self.biomol_mmtf = DATA_FILES['3enl_mmtf'] + self.altloc_pdb = DATA_FILES['1pwc_pdb'] + self.altloc_mmtf = DATA_FILES['1pwc_mmtf'] def testUsualCase(self): @@ -60,6 +62,37 @@ def testUsualCase(self): '(models)') self.assertEqual(prody.calcRMSD(ag,mag),0,'parseMMTF has non-zero RMSD to parsePDB') + # altlocs + ag = parseDatafile(self.altloc_pdb['file'],bonds=True) + mag = parseDatafile(self.altloc_mmtf['file'],bonds=True) + + self.assertIsInstance(mag, prody.AtomGroup, + 'parseMMTF failed to return an AtomGroup instance') + + self.assertEqual(mag.numAtoms(), self.altloc_mmtf['n_atoms'], + 'parseMMTF failed to parse correct number of atoms') + + self.assertEqual(mag.numCoordsets(), self.altloc_mmtf['models'], + 'parseMMTF failed to parse correct number of coordinate sets ' + '(models)') + self.assertEqual(prody.calcRMSD(ag,mag),0,'parseMMTF has non-zero RMSD to parsePDB') + self.assertEqual(mag.numBonds(), 2, "parseMMTF has wrong number of bonds") + + ag = parseDatafile(self.altloc_pdb['file'],altloc='all',bonds=True) + mag = parseDatafile(self.altloc_mmtf['file'],altloc='all',bonds=True) + + self.assertEqual(mag.numAtoms(), 3191, "parseMMTF failed to parse correct number of atoms with altloc='any'") + # mmtf does not interleave altlocs, so can't do all atom rmsd (they don't match up) + self.assertEqual(prody.calcRMSD(ag.name_C,mag.name_C),0,'parseMMTF has non-zero RMSD to parsePDB') + self.assertEqual(mag.numBonds(), 2, "parseMMTF has wrong number of bonds") + + ag = parseDatafile(self.altloc_pdb['file'],altloc='B',bonds=True) + mag = parseDatafile(self.altloc_mmtf['file'],altloc='B',bonds=True) + + #the whole ligand is altloc A and is covalently bound + self.assertEqual(mag.numAtoms(), 3109, "parseMMTF failed to parse correct number of atoms with altloc='any'") + self.assertEqual(prody.calcRMSD(ag.name_C,mag.name_C),0,'parseMMTF has non-zero RMSD to parsePDB') + self.assertEqual(mag.numBonds(), 1, "parseMMTF has wrong number of bonds with altloc='B'") # multi-model file (currently fails) mag = parseDatafile(self.nmr_mmtf['file']) From a47631367c9f34e226e05e3af9d27c3a876831ad Mon Sep 17 00:00:00 2001 From: David Koes Date: Tue, 19 Sep 2023 21:11:00 -0400 Subject: [PATCH 08/16] Support multi-model files. At least as long is they are all the same molecule. --- prody/proteins/mmtffile.py | 25 ++++++++++++++++++++++--- 1 file changed, 22 insertions(+), 3 deletions(-) diff --git a/prody/proteins/mmtffile.py b/prody/proteins/mmtffile.py index f981b36d3..d465aaabe 100644 --- a/prody/proteins/mmtffile.py +++ b/prody/proteins/mmtffile.py @@ -179,12 +179,30 @@ def set_info(atomgroup, mmtf_data,get_bonds=False,altloc_sel='A'): "SACCHARIDE"]) asize = mmtf_data.num_atoms + + if len(mmtf_data.chains_per_model) > 1: + # get number of atoms in first model + asize = 0 + groupIndex = 0 + modelChainCount = mmtf_data.chains_per_model[0] + for chainGroupCount in mmtf_data.groups_per_chain[:modelChainCount]: + #traverse groups + for _ in range(chainGroupCount): + group = mmtf_data.group_list[mmtf_data.group_type_list[groupIndex]] + asize += len(group['atomNameList']) + groupIndex += 1 + fields = OrderedDict() x = mmtf_data.x_coord_list y = mmtf_data.y_coord_list z = mmtf_data.z_coord_list - coords = np.array([x, y, z]).T + + if len(x) != mmtf_data.num_models*asize: + LOGGER.warn('Multi-model MMTF files with different molecules not supported. Keeping only first model') + coords = np.array([x, y, z]).T.reshape(mmtf_data.num_models, -1, 3)[0] + else: + coords = np.array([x, y, z]).T.reshape(mmtf_data.num_models, asize, 3) # Initialize arrays for atom properties atom_names = np.empty(asize, dtype=ATOMIC_FIELDS['name'].dtype) @@ -240,6 +258,7 @@ def set_info(atomgroup, mmtf_data,get_bonds=False,altloc_sel='A'): groupIndex += 1 chainIndex += 1 modelIndex += 1 + break #detect termini based on chain changes termini[:-1] = chainids[1:] != chainids[:-1] @@ -250,7 +269,7 @@ def set_info(atomgroup, mmtf_data,get_bonds=False,altloc_sel='A'): #mask out any unwanted alternative locations mask = (altlocs == '') | (altlocs == altloc_sel) - atomgroup.setCoords(coords[mask]) + atomgroup.setCoords(coords[:,mask]) atomgroup.setNames(atom_names[mask]) atomgroup.setResnums(resnums[mask]) atomgroup.setResnames(resnames[mask]) @@ -277,7 +296,7 @@ def set_info(atomgroup, mmtf_data,get_bonds=False,altloc_sel='A'): nonpeptide = [] #irgnore bonds between C and N in adjacent residues for a,b in allbonds: - if mask[a] and mask[b]: + if mask[a] and mask[b] and a < asize and b < asize: if atom_names[a] != 'N' or atom_names[b] != 'C' or resnums[a]-resnums[b] != 1: nonpeptide.append((remap[a],remap[b])) atomgroup.setBonds(nonpeptide) From 3447f586071e6c1180d10b60beee58c9b1d1afe6 Mon Sep 17 00:00:00 2001 From: Vratin Srivastava <114123331+vratins@users.noreply.github.com> Date: Mon, 25 Sep 2023 12:09:20 -0400 Subject: [PATCH 09/16] Update main.yml - mmtf-python --- .github/workflows/main.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 5f51fdadc..5750ebdfe 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -29,7 +29,7 @@ jobs: if [[ ${{ matrix.python-version }} == "3.11" ]]; then conda config --add channels conda-forge; fi conda create --yes -n test python=${{ matrix.python-version }} source activate test - conda install --yes numpy scipy nose pyparsing requests + conda install --yes numpy scipy nose pyparsing requests mmtf-python if [[ ${{ matrix.python-version }} == "2.7" ]]; then conda install --yes unittest2; fi pip install . python setup.py build_ext --inplace --force @@ -38,4 +38,4 @@ jobs: source activate test conda install --yes pytest pytest - \ No newline at end of file + From 462063feaa60c011f484450f570edb3f11f22f98 Mon Sep 17 00:00:00 2001 From: Vratin Srivastava <114123331+vratins@users.noreply.github.com> Date: Mon, 25 Sep 2023 17:43:55 -0400 Subject: [PATCH 10/16] Update setup.py - added mmtf-python hard dependency --- setup.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/setup.py b/setup.py index f8a3b4541..163144979 100644 --- a/setup.py +++ b/setup.py @@ -12,9 +12,9 @@ sys.exit() if sys.version_info[:2] == (2, 7) or sys.version_info[:2] <= (3, 5): - INSTALL_REQUIRES=['numpy>=1.10,<1.24', 'biopython<=1.76', 'pyparsing', 'scipy'] + INSTALL_REQUIRES=['numpy>=1.10,<1.24', 'biopython<=1.76', 'pyparsing', 'scipy', 'mmtf-python] else: - INSTALL_REQUIRES=['numpy>=1.10,<1.24', 'biopython<=1.79', 'pyparsing', 'scipy', 'setuptools'] + INSTALL_REQUIRES=['numpy>=1.10,<1.24', 'biopython<=1.79', 'pyparsing', 'scipy', 'setuptools', 'mmtf-python'] if sys.version_info[0] == 3: if sys.version_info[1] < 6: From c5d54145404f8a5dc4fb26fd945bd0c37b5672f5 Mon Sep 17 00:00:00 2001 From: Vratin Srivastava <114123331+vratins@users.noreply.github.com> Date: Mon, 25 Sep 2023 17:44:05 -0400 Subject: [PATCH 11/16] Update main.yml --- .github/workflows/main.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 5750ebdfe..4e18fe021 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -29,7 +29,7 @@ jobs: if [[ ${{ matrix.python-version }} == "3.11" ]]; then conda config --add channels conda-forge; fi conda create --yes -n test python=${{ matrix.python-version }} source activate test - conda install --yes numpy scipy nose pyparsing requests mmtf-python + conda install --yes numpy scipy nose pyparsing requests if [[ ${{ matrix.python-version }} == "2.7" ]]; then conda install --yes unittest2; fi pip install . python setup.py build_ext --inplace --force From 0309ef1d6b8a380debe22fb5473869e400eb1dc8 Mon Sep 17 00:00:00 2001 From: Vratin Srivastava <114123331+vratins@users.noreply.github.com> Date: Mon, 25 Sep 2023 19:08:29 -0400 Subject: [PATCH 12/16] Update setup.py - forgot to close apostrophe for string - fixed --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index 163144979..0add2c219 100644 --- a/setup.py +++ b/setup.py @@ -12,7 +12,7 @@ sys.exit() if sys.version_info[:2] == (2, 7) or sys.version_info[:2] <= (3, 5): - INSTALL_REQUIRES=['numpy>=1.10,<1.24', 'biopython<=1.76', 'pyparsing', 'scipy', 'mmtf-python] + INSTALL_REQUIRES=['numpy>=1.10,<1.24', 'biopython<=1.76', 'pyparsing', 'scipy', 'mmtf-python'] else: INSTALL_REQUIRES=['numpy>=1.10,<1.24', 'biopython<=1.79', 'pyparsing', 'scipy', 'setuptools', 'mmtf-python'] From 847d99972b05a768f1e590a50108758994c2a58d Mon Sep 17 00:00:00 2001 From: Vratin Srivastava Date: Wed, 27 Sep 2023 18:52:59 -0400 Subject: [PATCH 13/16] multi model fixes --- prody/proteins/mmtffile.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/prody/proteins/mmtffile.py b/prody/proteins/mmtffile.py index d465aaabe..e4a5aa629 100644 --- a/prody/proteins/mmtffile.py +++ b/prody/proteins/mmtffile.py @@ -201,6 +201,7 @@ def set_info(atomgroup, mmtf_data,get_bonds=False,altloc_sel='A'): if len(x) != mmtf_data.num_models*asize: LOGGER.warn('Multi-model MMTF files with different molecules not supported. Keeping only first model') coords = np.array([x, y, z]).T.reshape(mmtf_data.num_models, -1, 3)[0] + coords = np.array([x, y, z]).T[:asize].reshape(1, asize, 3) else: coords = np.array([x, y, z]).T.reshape(mmtf_data.num_models, asize, 3) @@ -296,7 +297,7 @@ def set_info(atomgroup, mmtf_data,get_bonds=False,altloc_sel='A'): nonpeptide = [] #irgnore bonds between C and N in adjacent residues for a,b in allbonds: - if mask[a] and mask[b] and a < asize and b < asize: + if a < asize and b < asize and mask[a] and mask[b] : if atom_names[a] != 'N' or atom_names[b] != 'C' or resnums[a]-resnums[b] != 1: nonpeptide.append((remap[a],remap[b])) atomgroup.setBonds(nonpeptide) From 9d478e2598e3314cf868d07342240092b3af8d6b Mon Sep 17 00:00:00 2001 From: Vratin Srivastava Date: Thu, 28 Sep 2023 10:31:21 -0400 Subject: [PATCH 14/16] Docstring added --- .github/workflows/main.yml | 1 + prody/proteins/mmtffile.py | 61 ++++++++++++++++++++++++++++++++++++-- setup.py | 4 +-- 3 files changed, 61 insertions(+), 5 deletions(-) diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 4e18fe021..c017b946a 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -31,6 +31,7 @@ jobs: source activate test conda install --yes numpy scipy nose pyparsing requests if [[ ${{ matrix.python-version }} == "2.7" ]]; then conda install --yes unittest2; fi + pip install mmtf-python pip install . python setup.py build_ext --inplace --force - name: Test with pytest diff --git a/prody/proteins/mmtffile.py b/prody/proteins/mmtffile.py index e4a5aa629..47a73e1c5 100644 --- a/prody/proteins/mmtffile.py +++ b/prody/proteins/mmtffile.py @@ -26,8 +26,62 @@ print("Install mmtf to read in mmtf structure objects (e.g. pip install mmtf-python)") __all__ = ['parseMMTF'] - + +_parseMMTFdoc = """ + :arg mmtf_struc: The MMTF structure to parse. It can be provided in one of the following ways: + - A string representing a PDB ID (e.g., '1abc'). + - The filename of an MMTF file (ending with '.mmtf' or '.mmtf.gz'). + - An MMTF structure object (file parsed through mmtf-python). + :type mmtf_struc: str or MMTF Structure object + + :arg chain: Chain identifier(s) to parse (e.g., 'A' for chain A). If not provided, + all chains are parsed. If a PDB ID is used, chain can also be specified as part + of the ID (e.g., '1abcA' to parse chain A). + :type chain: str, optional + + :arg title: Title to assign to the resulting AtomGroup. If not provided, the + title is extracted from the MMTF structure or set to the PDB ID. + :type title: str, optional + + :arg subset: a predefined keyword to parse subset of atoms, valid keywords + are ``'calpha'`` (``'ca'``), ``'backbone'`` (``'bb'``), or **None** + (read all atoms), e.g. ``subset='bb'`` + :type subset: str + + :arg model: model index or None (read all models), e.g. ``model=10`` + :type model: int, list + + :arg altloc: if a location indicator is passed, such as ``'A'`` or ``'B'``, + only indicated alternate locations will be parsed as the single + coordinate set of the AtomGroup, if *altloc* is set **True** all + alternate locations will be parsed and each will be appended as a + distinct coordinate set, default is ``"A"`` + :type altloc: str + """ + def parseMMTF(mmtf_struc, **kwargs): + """ + Parse an MMTF (Macromolecular Transmission Format) structure or fetch it from the PDB, + and return an AtomGroup containing the parsed data. + + :param mmtf_struc: The MMTF structure to parse. It can be provided in one of the following ways: + - A string representing a PDB ID (e.g., '1abc'). + - The filename of an MMTF file (ending with '.mmtf' or '.mmtf.gz'). + - An MMTF structure object (file parsed through mmtf-python). + :type mmtf_struc: str or MMTF Structure object + + :param chain: Chain identifier(s) to parse (e.g., 'A' for chain A). If not provided, + all chains are parsed. If a PDB ID is used, chain can also be specified as part + of the ID (e.g., '1abcA' to parse chain A). + :type chain: str, optional + + :param title: Title to assign to the resulting AtomGroup. If not provided, the + title is extracted from the MMTF structure or set to the PDB ID. + :type title: str, optional + + :return: An AtomGroup containing the parsed atomic data. + :rtype: AtomGroup + """ chain = kwargs.pop('chain', None) title = kwargs.get('title', None) @@ -66,7 +120,6 @@ def parseMMTF(mmtf_struc, **kwargs): title = mmtf_struc.structure_id #if none of the above loops are entered, user should have passed a mmtf structure object - if title is None: title = mmtf_struc.structure_id @@ -74,6 +127,9 @@ def parseMMTF(mmtf_struc, **kwargs): return result +parseMMTF.__doc__ += _parseMMTFdoc + + def _parseMMTF(mmtf_struc, **kwargs): LOGGER.timeit() ag = AtomGroup() @@ -200,7 +256,6 @@ def set_info(atomgroup, mmtf_data,get_bonds=False,altloc_sel='A'): if len(x) != mmtf_data.num_models*asize: LOGGER.warn('Multi-model MMTF files with different molecules not supported. Keeping only first model') - coords = np.array([x, y, z]).T.reshape(mmtf_data.num_models, -1, 3)[0] coords = np.array([x, y, z]).T[:asize].reshape(1, asize, 3) else: coords = np.array([x, y, z]).T.reshape(mmtf_data.num_models, asize, 3) diff --git a/setup.py b/setup.py index 0add2c219..f8a3b4541 100644 --- a/setup.py +++ b/setup.py @@ -12,9 +12,9 @@ sys.exit() if sys.version_info[:2] == (2, 7) or sys.version_info[:2] <= (3, 5): - INSTALL_REQUIRES=['numpy>=1.10,<1.24', 'biopython<=1.76', 'pyparsing', 'scipy', 'mmtf-python'] + INSTALL_REQUIRES=['numpy>=1.10,<1.24', 'biopython<=1.76', 'pyparsing', 'scipy'] else: - INSTALL_REQUIRES=['numpy>=1.10,<1.24', 'biopython<=1.79', 'pyparsing', 'scipy', 'setuptools', 'mmtf-python'] + INSTALL_REQUIRES=['numpy>=1.10,<1.24', 'biopython<=1.79', 'pyparsing', 'scipy', 'setuptools'] if sys.version_info[0] == 3: if sys.version_info[1] < 6: From d8ace05e1253ffe866678a9a599a1376e754bf23 Mon Sep 17 00:00:00 2001 From: Vratin Srivastava <114123331+vratins@users.noreply.github.com> Date: Tue, 3 Oct 2023 14:15:00 -0400 Subject: [PATCH 15/16] import within function + doctring changes --- prody/proteins/mmtffile.py | 21 +++++---------------- 1 file changed, 5 insertions(+), 16 deletions(-) diff --git a/prody/proteins/mmtffile.py b/prody/proteins/mmtffile.py index 47a73e1c5..1b403c96b 100644 --- a/prody/proteins/mmtffile.py +++ b/prody/proteins/mmtffile.py @@ -19,21 +19,9 @@ import struct as st import numpy as np -try: - from mmtf import fetch, parse - import mmtf -except ImportError: - print("Install mmtf to read in mmtf structure objects (e.g. pip install mmtf-python)") - __all__ = ['parseMMTF'] _parseMMTFdoc = """ - :arg mmtf_struc: The MMTF structure to parse. It can be provided in one of the following ways: - - A string representing a PDB ID (e.g., '1abc'). - - The filename of an MMTF file (ending with '.mmtf' or '.mmtf.gz'). - - An MMTF structure object (file parsed through mmtf-python). - :type mmtf_struc: str or MMTF Structure object - :arg chain: Chain identifier(s) to parse (e.g., 'A' for chain A). If not provided, all chains are parsed. If a PDB ID is used, chain can also be specified as part of the ID (e.g., '1abcA' to parse chain A). @@ -75,13 +63,14 @@ def parseMMTF(mmtf_struc, **kwargs): of the ID (e.g., '1abcA' to parse chain A). :type chain: str, optional - :param title: Title to assign to the resulting AtomGroup. If not provided, the - title is extracted from the MMTF structure or set to the PDB ID. - :type title: str, optional - :return: An AtomGroup containing the parsed atomic data. :rtype: AtomGroup """ + try: + from mmtf import fetch, parse + import mmtf + except ImportError: + print("Install mmtf to read in mmtf structure objects (e.g. pip install mmtf-python)") chain = kwargs.pop('chain', None) title = kwargs.get('title', None) From b2da7509c8875d1637246f78b30fddf280590afe Mon Sep 17 00:00:00 2001 From: Vratin Srivastava <114123331+vratins@users.noreply.github.com> Date: Wed, 4 Oct 2023 09:22:33 -0400 Subject: [PATCH 16/16] raise import error --- prody/proteins/mmtffile.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/prody/proteins/mmtffile.py b/prody/proteins/mmtffile.py index 1b403c96b..7d637d38c 100644 --- a/prody/proteins/mmtffile.py +++ b/prody/proteins/mmtffile.py @@ -70,7 +70,7 @@ def parseMMTF(mmtf_struc, **kwargs): from mmtf import fetch, parse import mmtf except ImportError: - print("Install mmtf to read in mmtf structure objects (e.g. pip install mmtf-python)") + raise ImportError("Install mmtf to read in mmtf structure objects (e.g. pip install mmtf-python)") chain = kwargs.pop('chain', None) title = kwargs.get('title', None)

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