data_4UE7 # _entry.id 4UE7 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4UE7 PDBE EBI-62592 WWPDB D_1290062592 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4UE7 _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2014-12-16 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Ruehmann, E.' 1 'Heine, A.' 2 'Klebe, G.' 3 # _citation.id primary _citation.title 'Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why.' _citation.journal_abbrev J.Med.Chem. _citation.journal_volume 58 _citation.page_first 6960 _citation.page_last ? _citation.year 2015 _citation.journal_id_ASTM JMCMAR _citation.country US _citation.journal_id_ISSN 0022-2623 _citation.journal_id_CSD 0151 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 26270568 _citation.pdbx_database_id_DOI 10.1021/ACS.JMEDCHEM.5B00812 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Ruehmann, E.' 1 primary 'Betz, M.' 2 primary 'Heine, A.' 3 primary 'Klebe, G.' 4 # _cell.entry_id 4UE7 _cell.length_a 70.262 _cell.length_b 71.483 _cell.length_c 72.440 _cell.angle_alpha 90.00 _cell.angle_beta 100.30 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4UE7 _symmetry.space_group_name_H-M 'C 1 2 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 5 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat 'THROMBIN HEAVY CHAIN' 29651.105 1 3.4.21.5 ? 'THROMBIN HEAVY CHAIN, UNP RESIDUES 364-621' ? 2 polymer syn 'HIRUDIN VARIANT-2' 1548.580 1 ? ? 'UNP RESIDUES 61-72' 'HIRUDIN (54-65) (SULFATED)' 3 polymer nat 'THROMBIN LIGHT CHAIN' 3317.741 1 3.4.21.5 ? 'THROMBIN LIGHT CHAIN, UNP RESIDUES 333-360' ? 4 non-polymer syn 'IODIDE ION' 126.904 1 ? ? ? ? 5 non-polymer syn GLYCEROL 92.094 3 ? ? ? ? 6 non-polymer syn 'SODIUM ION' 22.990 2 ? ? ? ? 7 non-polymer syn 'PHOSPHATE ION' 94.971 1 ? ? ? ? 8 non-polymer syn 'DIMETHYL SULFOXIDE' 78.133 3 ? ? ? ? 9 non-polymer syn 1,2-ETHANEDIOL 62.068 1 ? ? ? ? 10 non-polymer syn piperidine-1-carboximidamide 127.188 1 ? ? ? ? 11 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 12 water nat water 18.015 322 ? ? ? ? # loop_ _entity_name_com.entity_id _entity_name_com.name 1 ;PROTHROMBIN, COAGULATION FACTOR II, ACTIVATION PEPTIDE FRAGMENT 1, ACTIVATION PEPTIDE FRAGMENT 2, THROMBIN LIGHT CHAIN, THROMBIN HEAVY CHAIN ; 3 'PROTHROMBIN, COAGULATION FACTOR II, ACTIVATION PEPTIDE FRAGMENT 1, ACTIVATION PEPTIDE FRAGMENT 2' # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFG ; ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFG ; H ? 2 'polypeptide(L)' no yes 'GDFEEIPEE(TYS)LQ' GDFEEIPEEYLQ I ? 3 'polypeptide(L)' no no EADCGLRPLFEKKSLEDKTERELLESYI EADCGLRPLFEKKSLEDKTERELLESYI L ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ILE n 1 2 VAL n 1 3 GLU n 1 4 GLY n 1 5 SER n 1 6 ASP n 1 7 ALA n 1 8 GLU n 1 9 ILE n 1 10 GLY n 1 11 MET n 1 12 SER n 1 13 PRO n 1 14 TRP n 1 15 GLN n 1 16 VAL n 1 17 MET n 1 18 LEU n 1 19 PHE n 1 20 ARG n 1 21 LYS n 1 22 SER n 1 23 PRO n 1 24 GLN n 1 25 GLU n 1 26 LEU n 1 27 LEU n 1 28 CYS n 1 29 GLY n 1 30 ALA n 1 31 SER n 1 32 LEU n 1 33 ILE n 1 34 SER n 1 35 ASP n 1 36 ARG n 1 37 TRP n 1 38 VAL n 1 39 LEU n 1 40 THR n 1 41 ALA n 1 42 ALA n 1 43 HIS n 1 44 CYS n 1 45 LEU n 1 46 LEU n 1 47 TYR n 1 48 PRO n 1 49 PRO n 1 50 TRP n 1 51 ASP n 1 52 LYS n 1 53 ASN n 1 54 PHE n 1 55 THR n 1 56 GLU n 1 57 ASN n 1 58 ASP n 1 59 LEU n 1 60 LEU n 1 61 VAL n 1 62 ARG n 1 63 ILE n 1 64 GLY n 1 65 LYS n 1 66 HIS n 1 67 SER n 1 68 ARG n 1 69 THR n 1 70 ARG n 1 71 TYR n 1 72 GLU n 1 73 ARG n 1 74 ASN n 1 75 ILE n 1 76 GLU n 1 77 LYS n 1 78 ILE n 1 79 SER n 1 80 MET n 1 81 LEU n 1 82 GLU n 1 83 LYS n 1 84 ILE n 1 85 TYR n 1 86 ILE n 1 87 HIS n 1 88 PRO n 1 89 ARG n 1 90 TYR n 1 91 ASN n 1 92 TRP n 1 93 ARG n 1 94 GLU n 1 95 ASN n 1 96 LEU n 1 97 ASP n 1 98 ARG n 1 99 ASP n 1 100 ILE n 1 101 ALA n 1 102 LEU n 1 103 MET n 1 104 LYS n 1 105 LEU n 1 106 LYS n 1 107 LYS n 1 108 PRO n 1 109 VAL n 1 110 ALA n 1 111 PHE n 1 112 SER n 1 113 ASP n 1 114 TYR n 1 115 ILE n 1 116 HIS n 1 117 PRO n 1 118 VAL n 1 119 CYS n 1 120 LEU n 1 121 PRO n 1 122 ASP n 1 123 ARG n 1 124 GLU n 1 125 THR n 1 126 ALA n 1 127 ALA n 1 128 SER n 1 129 LEU n 1 130 LEU n 1 131 GLN n 1 132 ALA n 1 133 GLY n 1 134 TYR n 1 135 LYS n 1 136 GLY n 1 137 ARG n 1 138 VAL n 1 139 THR n 1 140 GLY n 1 141 TRP n 1 142 GLY n 1 143 ASN n 1 144 LEU n 1 145 LYS n 1 146 GLU n 1 147 THR n 1 148 TRP n 1 149 THR n 1 150 ALA n 1 151 ASN n 1 152 VAL n 1 153 GLY n 1 154 LYS n 1 155 GLY n 1 156 GLN n 1 157 PRO n 1 158 SER n 1 159 VAL n 1 160 LEU n 1 161 GLN n 1 162 VAL n 1 163 VAL n 1 164 ASN n 1 165 LEU n 1 166 PRO n 1 167 ILE n 1 168 VAL n 1 169 GLU n 1 170 ARG n 1 171 PRO n 1 172 VAL n 1 173 CYS n 1 174 LYS n 1 175 ASP n 1 176 SER n 1 177 THR n 1 178 ARG n 1 179 ILE n 1 180 ARG n 1 181 ILE n 1 182 THR n 1 183 ASP n 1 184 ASN n 1 185 MET n 1 186 PHE n 1 187 CYS n 1 188 ALA n 1 189 GLY n 1 190 TYR n 1 191 LYS n 1 192 PRO n 1 193 ASP n 1 194 GLU n 1 195 GLY n 1 196 LYS n 1 197 ARG n 1 198 GLY n 1 199 ASP n 1 200 ALA n 1 201 CYS n 1 202 GLU n 1 203 GLY n 1 204 ASP n 1 205 SER n 1 206 GLY n 1 207 GLY n 1 208 PRO n 1 209 PHE n 1 210 VAL n 1 211 MET n 1 212 LYS n 1 213 SER n 1 214 PRO n 1 215 PHE n 1 216 ASN n 1 217 ASN n 1 218 ARG n 1 219 TRP n 1 220 TYR n 1 221 GLN n 1 222 MET n 1 223 GLY n 1 224 ILE n 1 225 VAL n 1 226 SER n 1 227 TRP n 1 228 GLY n 1 229 GLU n 1 230 GLY n 1 231 CYS n 1 232 ASP n 1 233 ARG n 1 234 ASP n 1 235 GLY n 1 236 LYS n 1 237 TYR n 1 238 GLY n 1 239 PHE n 1 240 TYR n 1 241 THR n 1 242 HIS n 1 243 VAL n 1 244 PHE n 1 245 ARG n 1 246 LEU n 1 247 LYS n 1 248 LYS n 1 249 TRP n 1 250 ILE n 1 251 GLN n 1 252 LYS n 1 253 VAL n 1 254 ILE n 1 255 ASP n 1 256 GLN n 1 257 PHE n 1 258 GLY n 2 1 GLY n 2 2 ASP n 2 3 PHE n 2 4 GLU n 2 5 GLU n 2 6 ILE n 2 7 PRO n 2 8 GLU n 2 9 GLU n 2 10 TYS n 2 11 LEU n 2 12 GLN n 3 1 GLU n 3 2 ALA n 3 3 ASP n 3 4 CYS n 3 5 GLY n 3 6 LEU n 3 7 ARG n 3 8 PRO n 3 9 LEU n 3 10 PHE n 3 11 GLU n 3 12 LYS n 3 13 LYS n 3 14 SER n 3 15 LEU n 3 16 GLU n 3 17 ASP n 3 18 LYS n 3 19 THR n 3 20 GLU n 3 21 ARG n 3 22 GLU n 3 23 LEU n 3 24 LEU n 3 25 GLU n 3 26 SER n 3 27 TYR n 3 28 ILE n # loop_ _entity_src_nat.entity_id _entity_src_nat.pdbx_src_id _entity_src_nat.pdbx_alt_source_flag _entity_src_nat.pdbx_beg_seq_num _entity_src_nat.pdbx_end_seq_num _entity_src_nat.common_name _entity_src_nat.pdbx_organism_scientific _entity_src_nat.pdbx_ncbi_taxonomy_id _entity_src_nat.genus _entity_src_nat.species _entity_src_nat.strain _entity_src_nat.tissue _entity_src_nat.tissue_fraction _entity_src_nat.pdbx_secretion _entity_src_nat.pdbx_fragment _entity_src_nat.pdbx_variant _entity_src_nat.pdbx_cell_line _entity_src_nat.pdbx_atcc _entity_src_nat.pdbx_cellular_location _entity_src_nat.pdbx_organ _entity_src_nat.pdbx_organelle _entity_src_nat.pdbx_cell _entity_src_nat.pdbx_plasmid_name _entity_src_nat.pdbx_plasmid_details _entity_src_nat.details 1 1 sample ? ? HUMAN 'HOMO SAPIENS' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 'PURIFIED FROM HUMAN BLOOD PLASMA' 3 1 sample ? ? HUMAN 'HOMO SAPIENS' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 'PURIFIED FROM HUMAN BLOOD PLASMA' # _pdbx_entity_src_syn.entity_id 2 _pdbx_entity_src_syn.pdbx_src_id 1 _pdbx_entity_src_syn.pdbx_alt_source_flag sample _pdbx_entity_src_syn.pdbx_beg_seq_num ? _pdbx_entity_src_syn.pdbx_end_seq_num ? _pdbx_entity_src_syn.organism_scientific 'HIRUDO MEDICINALIS' _pdbx_entity_src_syn.organism_common_name 'MEDICINAL LEECH' _pdbx_entity_src_syn.ncbi_taxonomy_id 6421 _pdbx_entity_src_syn.details ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform 1 UNP THRB_HUMAN 1 ? ? P00734 ? 2 UNP HIRV2_HIRME 2 ? ? P09945 ? 3 UNP THRB_HUMAN 3 ? ? P00734 ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 4UE7 H 1 ? 258 ? P00734 364 ? 621 ? 16 246 2 2 4UE7 I 1 ? 12 ? P09945 61 ? 72 ? 554 565 3 3 4UE7 L 1 C 28 K P00734 333 ? 360 ? 1 14 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 DMS non-polymer . 'DIMETHYL SULFOXIDE' ? 'C2 H6 O S' 78.133 EDO non-polymer . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2' 62.068 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 IOD non-polymer . 'IODIDE ION' ? 'I -1' 126.904 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 MRZ non-polymer . piperidine-1-carboximidamide ? 'C6 H13 N3' 127.188 NA non-polymer . 'SODIUM ION' ? 'Na 1' 22.990 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PO4 non-polymer . 'PHOSPHATE ION' ? 'O4 P -3' 94.971 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 TYS 'L-peptide linking' n O-SULFO-L-TYROSINE ? 'C9 H11 N O6 S' 261.252 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 4UE7 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.48 _exptl_crystal.density_percent_sol 50.49 _exptl_crystal.description NONE # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.5 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details 'SEE MATERIALS AND METHODS SECTION OF PUBLICATION, pH 7.5' # _diffrn.id 1 _diffrn.ambient_temp 113 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'MARMOSAIC 225 mm CCD' _diffrn_detector.pdbx_collection_date 2013-07-18 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.91841 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'BESSY BEAMLINE 14.2' _diffrn_source.pdbx_synchrotron_site BESSY _diffrn_source.pdbx_synchrotron_beamline 14.2 _diffrn_source.pdbx_wavelength 0.91841 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4UE7 _reflns.observed_criterion_sigma_I 2.5 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 19.56 _reflns.d_resolution_high 1.13 _reflns.number_obs 130988 _reflns.number_all ? _reflns.percent_possible_obs 99.5 _reflns.pdbx_Rmerge_I_obs 0.04 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 24.50 _reflns.B_iso_Wilson_estimate 10.67 _reflns.pdbx_redundancy 3.0 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 1.13 _reflns_shell.d_res_low 1.15 _reflns_shell.percent_possible_all 99.5 _reflns_shell.Rmerge_I_obs 0.39 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 2.54 _reflns_shell.pdbx_redundancy 2.7 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4UE7 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 130984 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.34 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 19.563 _refine.ls_d_res_high 1.129 _refine.ls_percent_reflns_obs 99.45 _refine.ls_R_factor_obs 0.1243 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1235 _refine.ls_R_factor_R_free 0.1394 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 6600 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 17.9 _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method ? _refine.details 'RESIDUES 148-149E ARE DISORDERED' _refine.pdbx_starting_model 'PDB ENTRY 1H8D' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.07 _refine.pdbx_overall_phase_error 12.09 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2314 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 65 _refine_hist.number_atoms_solvent 322 _refine_hist.number_atoms_total 2701 _refine_hist.d_res_high 1.129 _refine_hist.d_res_low 19.563 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function f_bond_d 0.010 ? ? 2555 'X-RAY DIFFRACTION' ? f_angle_d 1.449 ? ? 3465 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 15.225 ? ? 1011 'X-RAY DIFFRACTION' ? f_chiral_restr 0.086 ? ? 364 'X-RAY DIFFRACTION' ? f_plane_restr 0.008 ? ? 443 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all 'X-RAY DIFFRACTION' . 1.1292 1.1420 4000 0.2042 97.00 0.2095 . . 224 . . 'X-RAY DIFFRACTION' . 1.1420 1.1554 4155 0.1857 100.00 0.2099 . . 195 . . 'X-RAY DIFFRACTION' . 1.1554 1.1695 4202 0.1773 100.00 0.1808 . . 205 . . 'X-RAY DIFFRACTION' . 1.1695 1.1843 4131 0.1705 100.00 0.1931 . . 214 . . 'X-RAY DIFFRACTION' . 1.1843 1.1999 4134 0.1638 100.00 0.1773 . . 243 . . 'X-RAY DIFFRACTION' . 1.1999 1.2163 4158 0.1539 100.00 0.1813 . . 232 . . 'X-RAY DIFFRACTION' . 1.2163 1.2337 4153 0.1470 100.00 0.1598 . . 231 . . 'X-RAY DIFFRACTION' . 1.2337 1.2521 4163 0.1393 100.00 0.1442 . . 221 . . 'X-RAY DIFFRACTION' . 1.2521 1.2717 4151 0.1345 100.00 0.1509 . . 211 . . 'X-RAY DIFFRACTION' . 1.2717 1.2925 4171 0.1326 100.00 0.1715 . . 209 . . 'X-RAY DIFFRACTION' . 1.2925 1.3148 4130 0.1263 100.00 0.1506 . . 229 . . 'X-RAY DIFFRACTION' . 1.3148 1.3387 4103 0.1130 100.00 0.1279 . . 240 . . 'X-RAY DIFFRACTION' . 1.3387 1.3645 4150 0.1108 100.00 0.1293 . . 225 . . 'X-RAY DIFFRACTION' . 1.3645 1.3923 4215 0.1066 100.00 0.1327 . . 216 . . 'X-RAY DIFFRACTION' . 1.3923 1.4226 4125 0.1025 100.00 0.1280 . . 218 . . 'X-RAY DIFFRACTION' . 1.4226 1.4557 4148 0.0998 100.00 0.1211 . . 222 . . 'X-RAY DIFFRACTION' . 1.4557 1.4921 4160 0.0971 100.00 0.1241 . . 212 . . 'X-RAY DIFFRACTION' . 1.4921 1.5324 4166 0.0956 100.00 0.1189 . . 216 . . 'X-RAY DIFFRACTION' . 1.5324 1.5775 4157 0.0874 100.00 0.1077 . . 224 . . 'X-RAY DIFFRACTION' . 1.5775 1.6283 4156 0.0918 100.00 0.1146 . . 229 . . 'X-RAY DIFFRACTION' . 1.6283 1.6865 4157 0.0909 100.00 0.1197 . . 227 . . 'X-RAY DIFFRACTION' . 1.6865 1.7540 4153 0.0959 100.00 0.1066 . . 218 . . 'X-RAY DIFFRACTION' . 1.7540 1.8338 4162 0.1001 99.00 0.1184 . . 210 . . 'X-RAY DIFFRACTION' . 1.8338 1.9304 4176 0.1109 99.00 0.1183 . . 200 . . 'X-RAY DIFFRACTION' . 1.9304 2.0512 4127 0.1140 99.00 0.1224 . . 206 . . 'X-RAY DIFFRACTION' . 2.0512 2.2094 4171 0.1124 99.00 0.1271 . . 225 . . 'X-RAY DIFFRACTION' . 2.2094 2.4313 4143 0.1188 99.00 0.1284 . . 243 . . 'X-RAY DIFFRACTION' . 2.4313 2.7823 4177 0.1263 99.00 0.1395 . . 215 . . 'X-RAY DIFFRACTION' . 2.7823 3.5021 4126 0.1384 98.00 0.1334 . . 203 . . 'X-RAY DIFFRACTION' . 3.5021 19.5663 4064 0.1428 96.00 0.1687 . . 237 . . # _struct.entry_id 4UE7 _struct.title 'Thrombin in complex with 1-amidinopiperidine' _struct.pdbx_descriptor 'THROMBIN HEAVY CHAIN (E.C.3.4.21.5), HIRUDIN VARIANT-2, THROMBIN LIGHT CHAIN (E.C.3.4.21.5)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4UE7 _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text ;HYDROLASE, HYDROLASE INHIBITOR COMPLEX, SERINE PROTEASE, BLOOD COAGULATION, BLOOD CLOTTING, CONVERTION OF FIBRINOGEN TO FIBRIN, BLOOD CLOTTING INHIBITOR, THROMBIN INHIBITOR, GLYCOSYLATION, BLOOD ; # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 5 ? F N N 5 ? G N N 5 ? H N N 6 ? I N N 6 ? J N N 7 ? K N N 8 ? L N N 8 ? M N N 9 ? N N N 8 ? O N N 10 ? P N N 11 ? Q N N 12 ? R N N 12 ? S N N 12 ? # _struct_biol.id 1 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 ALA A 41 ? CYS A 44 ? ALA H 55 CYS H 58 5 ? 4 HELX_P HELX_P2 2 PRO A 48 B ASP A 51 E PRO H 60 ASP H 60 5 ? 4 HELX_P HELX_P3 3 THR A 55 I ASN A 57 ? THR H 60 ASN H 62 5 ? 3 HELX_P HELX_P4 4 ASP A 122 ? LEU A 130 ? ASP H 125 LEU H 130 1 ? 9 HELX_P HELX_P5 5 GLU A 169 ? SER A 176 ? GLU H 164 SER H 171 1 ? 8 HELX_P HELX_P6 6 LYS A 191 ? GLY A 195 C LYS H 185 GLY H 186 5 ? 5 HELX_P HELX_P7 7 LEU A 246 ? GLY A 258 ? LEU H 234 GLY H 246 1 ? 13 HELX_P HELX_P8 8 PRO B 7 ? LEU B 11 ? PRO I 560 LEU I 564 5 ? 5 HELX_P HELX_P9 9 PHE C 10 ? SER C 14 ? PHE L 7 SER L 11 5 ? 5 HELX_P HELX_P10 10 THR C 19 B TYR C 27 J THR L 14 TYR L 14 1 ? 9 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 28 SG ? ? ? 1_555 A CYS 44 SG ? ? H CYS 42 H CYS 58 1_555 ? ? ? ? ? ? ? 2.069 ? disulf2 disulf ? ? A CYS 119 SG ? ? ? 1_555 C CYS 4 SG ? ? H CYS 122 L CYS 1 1_555 ? ? ? ? ? ? ? 2.052 ? disulf3 disulf ? ? A CYS 173 SG ? ? ? 1_555 A CYS 187 SG ? ? H CYS 168 H CYS 182 1_555 ? ? ? ? ? ? ? 2.040 ? disulf4 disulf ? ? A CYS 201 SG ? ? ? 1_555 A CYS 231 SG ? ? H CYS 191 H CYS 220 1_555 ? ? ? ? ? ? ? 2.071 ? covale1 covale ? ? A ASN 53 ND2 ? G ? 1_555 P NAG . C1 ? ? H ASN 60 H NAG 1259 1_555 ? ? ? ? ? ? ? 1.424 ? metalc1 metalc ? ? H NA . NA ? ? ? 1_555 A THR 177 O ? ? H NA 1251 H THR 172 1_555 ? ? ? ? ? ? ? 2.310 ? metalc2 metalc ? ? H NA . NA ? ? ? 1_555 A LYS 174 O A ? H NA 1251 H LYS 169 1_555 ? ? ? ? ? ? ? 2.350 ? metalc3 metalc ? ? H NA . NA ? ? ? 1_555 A LYS 174 O B ? H NA 1251 H LYS 169 1_555 ? ? ? ? ? ? ? 2.345 ? metalc4 metalc ? ? H NA . NA ? ? ? 1_555 Q HOH . O ? ? H NA 1251 H HOH 2209 1_555 ? ? ? ? ? ? ? 2.707 ? metalc5 metalc ? ? I NA . NA ? ? ? 1_555 Q HOH . O ? ? H NA 1252 H HOH 2227 1_555 ? ? ? ? ? ? ? 2.486 ? metalc6 metalc ? ? I NA . NA ? ? ? 1_555 A LYS 236 O ? ? H NA 1252 H LYS 224 1_555 ? ? ? ? ? ? ? 2.387 ? metalc7 metalc ? ? I NA . NA ? ? ? 1_555 A ARG 233 O ? A H NA 1252 H ARG 221 1_555 ? ? ? ? ? ? ? 2.334 ? metalc8 metalc ? ? I NA . NA ? ? ? 1_555 Q HOH . O ? ? H NA 1252 H HOH 2239 1_555 ? ? ? ? ? ? ? 2.360 ? metalc9 metalc ? ? I NA . NA ? ? ? 1_555 Q HOH . O ? ? H NA 1252 H HOH 2268 1_555 ? ? ? ? ? ? ? 2.373 ? metalc10 metalc ? ? I NA . NA ? ? ? 1_555 Q HOH . O ? ? H NA 1252 H HOH 2228 1_555 ? ? ? ? ? ? ? 2.597 ? covale2 covale ? ? B GLU 9 C ? ? ? 1_555 B TYS 10 N ? ? I GLU 562 I TYS 563 1_555 ? ? ? ? ? ? ? 1.331 ? covale3 covale ? ? B TYS 10 C ? ? ? 1_555 B LEU 11 N ? ? I TYS 563 I LEU 564 1_555 ? ? ? ? ? ? ? 1.330 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id SER _struct_mon_prot_cis.label_seq_id 22 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code A _struct_mon_prot_cis.auth_comp_id SER _struct_mon_prot_cis.auth_seq_id 36 _struct_mon_prot_cis.auth_asym_id H _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 23 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 37 _struct_mon_prot_cis.pdbx_auth_asym_id_2 H _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle -5.38 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details HA ? 7 ? HB ? 7 ? HC ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense HA 1 2 ? anti-parallel HA 2 3 ? anti-parallel HA 3 4 ? anti-parallel HA 4 5 ? anti-parallel HA 5 6 ? anti-parallel HA 6 7 ? anti-parallel HB 1 2 ? anti-parallel HB 2 3 ? anti-parallel HB 3 4 ? anti-parallel HB 4 5 ? anti-parallel HB 5 6 ? anti-parallel HB 6 7 ? anti-parallel HC 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id HA 1 SER A 5 ? ASP A 6 ? SER H 20 ASP H 21 HA 2 GLN A 161 ? PRO A 166 ? GLN H 156 PRO H 161 HA 3 LYS A 135 ? GLY A 140 ? LYS H 135 GLY H 140 HA 4 PRO A 208 ? LYS A 212 ? PRO H 198 LYS H 202 HA 5 TRP A 219 ? TRP A 227 ? TRP H 207 TRP H 215 HA 6 GLY A 238 ? HIS A 242 ? GLY H 226 HIS H 230 HA 7 MET A 185 ? ALA A 188 ? MET H 180 ALA H 183 HB 1 GLN A 15 ? ARG A 20 ? GLN H 30 ARG H 35 HB 2 GLU A 25 ? LEU A 32 ? GLU H 39 LEU H 46 HB 3 TRP A 37 ? THR A 40 ? TRP H 51 THR H 54 HB 4 ALA A 101 ? LEU A 105 ? ALA H 104 LEU H 108 HB 5 LYS A 77 ? ILE A 86 ? LYS H 81 ILE H 90 HB 6 LEU A 59 ? ILE A 63 ? LEU H 64 ILE H 68 HB 7 GLN A 15 ? ARG A 20 ? GLN H 30 ARG H 35 HC 1 LEU A 46 ? TYR A 47 A LEU H 60 TYR H 60 HC 2 LYS A 52 F ASN A 53 G LYS H 60 ASN H 60 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id HA 1 2 N SER A 5 ? N SER H 20 O VAL A 162 ? O VAL H 157 HA 2 3 N LEU A 165 ? N LEU H 160 O GLY A 136 ? O GLY H 136 HA 3 4 N THR A 139 ? N THR H 139 O PRO A 208 ? O PRO H 198 HA 4 5 N MET A 211 ? N MET H 201 O TYR A 220 ? O TYR H 208 HA 5 6 N SER A 226 ? N SER H 214 O PHE A 239 ? O PHE H 227 HA 6 7 N TYR A 240 ? N TYR H 228 O PHE A 186 ? O PHE H 181 HB 1 2 N ARG A 20 ? N ARG H 35 O GLU A 25 ? O GLU H 39 HB 2 3 N SER A 31 ? N SER H 45 O LEU A 39 ? O LEU H 53 HB 3 4 N THR A 40 ? N THR H 54 O ALA A 101 ? O ALA H 104 HB 4 5 O LYS A 104 ? O LYS H 107 N GLU A 82 ? N GLU H 86 HB 5 6 N LEU A 81 ? N LEU H 85 O LEU A 59 ? O LEU H 64 HB 6 7 N ARG A 62 ? N ARG H 67 O MET A 17 ? O MET H 32 HC 1 2 N TYR A 47 A N TYR H 60 O LYS A 52 F O LYS H 60 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE GOL H 1248' AC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE GOL H 1249' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE GOL H 1250' AC4 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NA H 1251' AC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NA H 1252' AC6 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE PO4 H 1253' AC7 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE DMS H 1254' AC8 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE DMS H 1255' AC9 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE EDO H 1256' BC1 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE DMS H 1257' BC2 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE MRZ H 1258' BC3 Software ? ? ? ? 2 'Binding site for Mono-Saccharide NAG H1259 bound to ASN H 60G' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 4 ARG A 170 ? ARG H 165 . ? 1_555 ? 2 AC1 4 ASP A 183 ? ASP H 178 . ? 1_555 ? 3 AC1 4 HIS A 242 ? HIS H 230 . ? 1_555 ? 4 AC1 4 HOH Q . ? HOH H 2277 . ? 1_555 ? 5 AC2 3 ARG A 178 ? ARG H 173 . ? 1_555 ? 6 AC2 3 HOH Q . ? HOH H 2213 . ? 1_555 ? 7 AC2 3 HOH Q . ? HOH H 2275 . ? 1_555 ? 8 AC3 4 ARG A 89 ? ARG H 93 . ? 1_555 ? 9 AC3 4 ASN A 91 ? ASN H 95 . ? 1_555 ? 10 AC3 4 PO4 J . ? PO4 H 1253 . ? 1_555 ? 11 AC3 4 HOH Q . ? HOH H 2130 . ? 1_555 ? 12 AC4 3 LYS A 174 ? LYS H 169 . ? 1_555 ? 13 AC4 3 THR A 177 ? THR H 172 . ? 1_555 ? 14 AC4 3 HOH Q . ? HOH H 2209 . ? 1_555 ? 15 AC5 6 ARG A 233 A ARG H 221 . ? 1_555 ? 16 AC5 6 LYS A 236 ? LYS H 224 . ? 1_555 ? 17 AC5 6 HOH Q . ? HOH H 2227 . ? 1_555 ? 18 AC5 6 HOH Q . ? HOH H 2228 . ? 1_555 ? 19 AC5 6 HOH Q . ? HOH H 2239 . ? 1_555 ? 20 AC5 6 HOH Q . ? HOH H 2268 . ? 1_555 ? 21 AC6 9 ASN A 91 ? ASN H 95 . ? 1_555 ? 22 AC6 9 ASP A 97 ? ASP H 100 . ? 1_555 ? 23 AC6 9 ARG A 98 ? ARG H 101 . ? 1_555 ? 24 AC6 9 ARG A 180 ? ARG H 175 . ? 1_555 ? 25 AC6 9 GOL G . ? GOL H 1250 . ? 1_555 ? 26 AC6 9 EDO M . ? EDO H 1256 . ? 1_555 ? 27 AC6 9 HOH Q . ? HOH H 2218 . ? 1_555 ? 28 AC6 9 HOH Q . ? HOH H 2220 . ? 1_555 ? 29 AC6 9 HOH Q . ? HOH H 2290 . ? 1_555 ? 30 AC7 4 LEU A 130 ? LEU H 130 . ? 1_555 ? 31 AC7 4 ARG A 170 ? ARG H 165 . ? 1_555 ? 32 AC7 4 PHE A 186 ? PHE H 181 . ? 1_555 ? 33 AC7 4 HOH Q . ? HOH H 2198 . ? 1_555 ? 34 AC8 5 HIS A 43 ? HIS H 57 . ? 1_555 ? 35 AC8 5 TYR A 47 A TYR H 60 . ? 1_555 ? 36 AC8 5 TRP A 50 D TRP H 60 . ? 1_555 ? 37 AC8 5 HOH Q . ? HOH H 2066 . ? 1_555 ? 38 AC8 5 HOH Q . ? HOH H 2068 . ? 1_555 ? 39 AC9 3 ARG A 89 ? ARG H 93 . ? 1_555 ? 40 AC9 3 PO4 J . ? PO4 H 1253 . ? 1_555 ? 41 AC9 3 HOH Q . ? HOH H 2291 . ? 1_555 ? 42 BC1 2 PHE A 215 A PHE H 204 . ? 1_555 ? 43 BC1 2 HOH Q . ? HOH H 2171 . ? 1_555 ? 44 BC2 9 ASP A 199 ? ASP H 189 . ? 1_555 ? 45 BC2 9 ALA A 200 ? ALA H 190 . ? 1_555 ? 46 BC2 9 CYS A 201 ? CYS H 191 . ? 1_555 ? 47 BC2 9 VAL A 225 ? VAL H 213 . ? 1_555 ? 48 BC2 9 TRP A 227 ? TRP H 215 . ? 1_555 ? 49 BC2 9 GLY A 228 ? GLY H 216 . ? 1_555 ? 50 BC2 9 GLY A 230 ? GLY H 219 . ? 1_555 ? 51 BC2 9 GLY A 238 ? GLY H 226 . ? 1_555 ? 52 BC2 9 HOH Q . ? HOH H 2292 . ? 1_555 ? 53 BC3 2 ASN A 53 G ASN H 60 . ? 1_555 ? 54 BC3 2 HOH Q . ? HOH H 2076 . ? 1_555 ? # _database_PDB_matrix.entry_id 4UE7 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 4UE7 _atom_sites.fract_transf_matrix[1][1] 0.014232 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.002586 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.013989 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.014031 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C H I N NA O P S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ILE A 1 1 ? 62.323 -8.780 89.183 1.00 12.39 ? 16 ILE H N 1 ATOM 2 C CA . ILE A 1 1 ? 61.710 -8.445 90.470 1.00 12.05 ? 16 ILE H CA 1 ATOM 3 C C . ILE A 1 1 ? 60.595 -9.453 90.746 1.00 12.16 ? 16 ILE H C 1 ATOM 4 O O . ILE A 1 1 ? 59.732 -9.664 89.885 1.00 12.81 ? 16 ILE H O 1 ATOM 5 C CB . ILE A 1 1 ? 61.090 -7.012 90.437 1.00 11.65 ? 16 ILE H CB 1 ATOM 6 C CG1 . ILE A 1 1 ? 62.136 -5.940 90.059 1.00 11.06 ? 16 ILE H CG1 1 ATOM 7 C CG2 . ILE A 1 1 ? 60.339 -6.673 91.722 1.00 12.78 ? 16 ILE H CG2 1 ATOM 8 C CD1 . ILE A 1 1 ? 63.151 -5.611 91.161 1.00 11.20 ? 16 ILE H CD1 1 ATOM 9 H HA . ILE A 1 1 ? 62.370 -8.493 91.180 1.00 14.46 ? 16 ILE H HA 1 ATOM 10 H HB . ILE A 1 1 ? 60.430 -7.014 89.726 1.00 13.98 ? 16 ILE H HB 1 ATOM 11 H HG12 . ILE A 1 1 ? 62.633 -6.253 89.287 1.00 13.27 ? 16 ILE H HG12 1 ATOM 12 H HG13 . ILE A 1 1 ? 61.671 -5.119 89.835 1.00 13.27 ? 16 ILE H HG13 1 ATOM 13 H HG21 . ILE A 1 1 ? 60.956 -6.720 92.470 1.00 15.34 ? 16 ILE H HG21 1 ATOM 14 H HG22 . ILE A 1 1 ? 59.976 -5.776 91.648 1.00 15.34 ? 16 ILE H HG22 1 ATOM 15 H HG23 . ILE A 1 1 ? 59.620 -7.312 91.846 1.00 15.34 ? 16 ILE H HG23 1 ATOM 16 H HD11 . ILE A 1 1 ? 63.641 -6.417 91.389 1.00 13.44 ? 16 ILE H HD11 1 ATOM 17 H HD12 . ILE A 1 1 ? 63.763 -4.933 90.833 1.00 13.44 ? 16 ILE H HD12 1 ATOM 18 H HD13 . ILE A 1 1 ? 62.676 -5.280 91.939 1.00 13.44 ? 16 ILE H HD13 1 ATOM 19 N N . VAL A 1 2 ? 60.627 -10.069 91.926 1.00 13.46 ? 17 VAL H N 1 ATOM 20 C CA . VAL A 1 2 ? 59.614 -11.019 92.376 1.00 14.74 ? 17 VAL H CA 1 ATOM 21 C C . VAL A 1 2 ? 58.601 -10.293 93.252 1.00 14.63 ? 17 VAL H C 1 ATOM 22 O O . VAL A 1 2 ? 58.979 -9.554 94.158 1.00 15.23 ? 17 VAL H O 1 ATOM 23 C CB . VAL A 1 2 ? 60.262 -12.154 93.199 1.00 15.83 ? 17 VAL H CB 1 ATOM 24 C CG1 . VAL A 1 2 ? 59.236 -13.244 93.535 1.00 16.45 ? 17 VAL H CG1 1 ATOM 25 C CG2 . VAL A 1 2 ? 61.393 -12.730 92.433 1.00 17.60 ? 17 VAL H CG2 1 ATOM 26 H H . VAL A 1 2 ? 61.252 -9.947 92.504 1.00 16.16 ? 17 VAL H H 1 ATOM 27 H HA . VAL A 1 2 ? 59.155 -11.404 91.612 1.00 17.69 ? 17 VAL H HA 1 ATOM 28 H HB . VAL A 1 2 ? 60.608 -11.792 94.030 1.00 19.00 ? 17 VAL H HB 1 ATOM 29 H HG11 . VAL A 1 2 ? 58.887 -13.614 92.709 1.00 19.74 ? 17 VAL H HG11 1 ATOM 30 H HG12 . VAL A 1 2 ? 59.673 -13.940 94.051 1.00 19.74 ? 17 VAL H HG12 1 ATOM 31 H HG13 . VAL A 1 2 ? 58.516 -12.851 94.052 1.00 19.74 ? 17 VAL H HG13 1 ATOM 32 H HG21 . VAL A 1 2 ? 62.046 -12.033 92.262 1.00 21.13 ? 17 VAL H HG21 1 ATOM 33 H HG22 . VAL A 1 2 ? 61.797 -13.441 92.954 1.00 21.13 ? 17 VAL H HG22 1 ATOM 34 H HG23 . VAL A 1 2 ? 61.058 -13.083 91.594 1.00 21.13 ? 17 VAL H HG23 1 ATOM 35 N N . GLU A 1 3 ? 57.323 -10.513 92.970 1.00 15.92 ? 18 GLU H N 1 ATOM 36 C CA . GLU A 1 3 ? 56.228 -10.005 93.780 1.00 17.46 ? 18 GLU H CA 1 ATOM 37 C C . GLU A 1 3 ? 56.152 -8.474 93.785 1.00 16.74 ? 18 GLU H C 1 ATOM 38 O O . GLU A 1 3 ? 55.701 -7.861 94.750 1.00 18.34 ? 18 GLU H O 1 ATOM 39 C CB . GLU A 1 3 ? 56.264 -10.637 95.187 1.00 20.73 ? 18 GLU H CB 1 ATOM 40 C CG . GLU A 1 3 ? 56.005 -12.173 95.185 1.00 24.50 ? 18 GLU H CG 1 ATOM 41 C CD . GLU A 1 3 ? 54.552 -12.535 95.039 1.00 28.36 ? 18 GLU H CD 1 ATOM 42 O OE1 . GLU A 1 3 ? 53.707 -11.786 95.558 1.00 31.20 ? 18 GLU H OE1 1 ATOM 43 O OE2 . GLU A 1 3 ? 54.252 -13.597 94.436 1.00 31.92 ? 18 GLU H OE2 1 ATOM 44 H H . GLU A 1 3 ? 57.058 -10.970 92.291 1.00 19.10 ? 18 GLU H H 1 ATOM 45 H HA . GLU A 1 3 ? 55.404 -10.311 93.370 1.00 20.95 ? 18 GLU H HA 1 ATOM 46 H HB2 . GLU A 1 3 ? 57.138 -10.482 95.577 1.00 24.88 ? 18 GLU H HB2 1 ATOM 47 H HB3 . GLU A 1 3 ? 55.580 -10.221 95.735 1.00 24.88 ? 18 GLU H HB3 1 ATOM 48 H HG2 . GLU A 1 3 ? 56.487 -12.571 94.443 1.00 29.40 ? 18 GLU H HG2 1 ATOM 49 H HG3 . GLU A 1 3 ? 56.323 -12.545 96.022 1.00 29.40 ? 18 GLU H HG3 1 ATOM 50 N N . GLY A 1 4 ? 56.559 -7.866 92.670 1.00 15.25 ? 19 GLY H N 1 ATOM 51 C CA . GLY A 1 4 ? 56.374 -6.443 92.460 1.00 15.03 ? 19 GLY H CA 1 ATOM 52 C C . GLY A 1 4 ? 55.188 -6.145 91.573 1.00 15.81 ? 19 GLY H C 1 ATOM 53 O O . GLY A 1 4 ? 54.309 -6.985 91.355 1.00 17.47 ? 19 GLY H O 1 ATOM 54 H H . GLY A 1 4 ? 56.949 -8.266 92.016 1.00 18.30 ? 19 GLY H H 1 ATOM 55 H HA2 . GLY A 1 4 ? 56.237 -6.005 93.314 1.00 18.04 ? 19 GLY H HA2 1 ATOM 56 H HA3 . GLY A 1 4 ? 57.169 -6.071 92.046 1.00 18.04 ? 19 GLY H HA3 1 ATOM 57 N N . SER A 1 5 ? 55.186 -4.946 91.026 1.00 15.66 ? 20 SER H N 1 ATOM 58 C CA A SER A 1 5 ? 54.146 -4.531 90.108 0.64 15.97 ? 20 SER H CA 1 ATOM 59 C CA B SER A 1 5 ? 54.133 -4.480 90.145 0.36 15.75 ? 20 SER H CA 1 ATOM 60 C C . SER A 1 5 ? 54.734 -3.710 88.976 1.00 14.61 ? 20 SER H C 1 ATOM 61 O O . SER A 1 5 ? 55.887 -3.309 89.016 1.00 13.80 ? 20 SER H O 1 ATOM 62 C CB A SER A 1 5 ? 53.048 -3.753 90.835 0.64 19.36 ? 20 SER H CB 1 ATOM 63 C CB B SER A 1 5 ? 53.164 -3.579 90.913 0.36 18.48 ? 20 SER H CB 1 ATOM 64 O OG A SER A 1 5 ? 53.536 -2.543 91.377 0.64 20.88 ? 20 SER H OG 1 ATOM 65 O OG B SER A 1 5 ? 52.697 -4.210 92.094 0.36 20.50 ? 20 SER H OG 1 ATOM 66 H H A SER A 1 5 ? 55.784 -4.346 91.173 0.64 18.79 ? 20 SER H H 1 ATOM 67 H H B SER A 1 5 ? 55.805 -4.363 91.155 0.36 18.79 ? 20 SER H H 1 ATOM 68 H HA A SER A 1 5 ? 53.740 -5.321 89.720 0.64 19.16 ? 20 SER H HA 1 ATOM 69 H HA B SER A 1 5 ? 53.640 -5.239 89.796 0.36 18.90 ? 20 SER H HA 1 ATOM 70 H HB2 A SER A 1 5 ? 52.339 -3.550 90.205 0.64 23.23 ? 20 SER H HB2 1 ATOM 71 H HB2 B SER A 1 5 ? 53.622 -2.759 91.155 0.36 22.17 ? 20 SER H HB2 1 ATOM 72 H HB3 A SER A 1 5 ? 52.701 -4.301 91.556 0.64 23.23 ? 20 SER H HB3 1 ATOM 73 H HB3 B SER A 1 5 ? 52.405 -3.377 90.343 0.36 22.17 ? 20 SER H HB3 1 ATOM 74 H HG A SER A 1 5 ? 52.916 -2.134 91.770 0.64 25.06 ? 20 SER H HG 1 ATOM 75 H HG B SER A 1 5 ? 52.167 -3.701 92.501 0.36 24.61 ? 20 SER H HG 1 ATOM 76 N N . ASP A 1 6 ? 53.925 -3.481 87.945 1.00 14.93 ? 21 ASP H N 1 ATOM 77 C CA . ASP A 1 6 ? 54.352 -2.653 86.844 1.00 14.31 ? 21 ASP H CA 1 ATOM 78 C C . ASP A 1 6 ? 54.608 -1.232 87.322 1.00 13.52 ? 21 ASP H C 1 ATOM 79 O O . ASP A 1 6 ? 53.799 -0.635 88.039 1.00 15.85 ? 21 ASP H O 1 ATOM 80 C CB . ASP A 1 6 ? 53.253 -2.561 85.795 1.00 15.39 ? 21 ASP H CB 1 ATOM 81 C CG . ASP A 1 6 ? 52.968 -3.885 85.064 1.00 17.72 ? 21 ASP H CG 1 ATOM 82 O OD1 . ASP A 1 6 ? 53.654 -4.913 85.257 1.00 17.43 ? 21 ASP H OD1 1 ATOM 83 O OD2 . ASP A 1 6 ? 52.033 -3.882 84.238 1.00 21.13 ? 21 ASP H OD2 1 ATOM 84 H H . ASP A 1 6 ? 53.129 -3.795 87.867 1.00 17.92 ? 21 ASP H H 1 ATOM 85 H HA . ASP A 1 6 ? 55.159 -3.010 86.440 1.00 17.17 ? 21 ASP H HA 1 ATOM 86 H HB2 . ASP A 1 6 ? 52.432 -2.280 86.229 1.00 18.47 ? 21 ASP H HB2 1 ATOM 87 H HB3 . ASP A 1 6 ? 53.512 -1.906 85.129 1.00 18.47 ? 21 ASP H HB3 1 ATOM 88 N N . ALA A 1 7 ? 55.723 -0.673 86.885 1.00 12.97 ? 22 ALA H N 1 ATOM 89 C CA . ALA A 1 7 ? 56.003 0.730 87.130 1.00 12.63 ? 22 ALA H CA 1 ATOM 90 C C . ALA A 1 7 ? 55.007 1.625 86.412 1.00 11.90 ? 22 ALA H C 1 ATOM 91 O O . ALA A 1 7 ? 54.515 1.286 85.333 1.00 13.18 ? 22 ALA H O 1 ATOM 92 C CB . ALA A 1 7 ? 57.397 1.066 86.654 1.00 13.84 ? 22 ALA H CB 1 ATOM 93 H H . ALA A 1 7 ? 56.336 -1.085 86.443 1.00 15.56 ? 22 ALA H H 1 ATOM 94 H HA . ALA A 1 7 ? 55.950 0.911 88.082 1.00 15.16 ? 22 ALA H HA 1 ATOM 95 H HB1 . ALA A 1 7 ? 57.458 0.885 85.703 1.00 16.61 ? 22 ALA H HB1 1 ATOM 96 H HB2 . ALA A 1 7 ? 57.570 2.005 86.824 1.00 16.61 ? 22 ALA H HB2 1 ATOM 97 H HB3 . ALA A 1 7 ? 58.036 0.519 87.137 1.00 16.61 ? 22 ALA H HB3 1 ATOM 98 N N . GLU A 1 8 ? 54.743 2.790 86.986 1.00 11.54 ? 23 GLU H N 1 ATOM 99 C CA . GLU A 1 8 ? 54.073 3.867 86.281 1.00 11.53 ? 23 GLU H CA 1 ATOM 100 C C . GLU A 1 8 ? 55.029 4.497 85.269 1.00 10.93 ? 23 GLU H C 1 ATOM 101 O O . GLU A 1 8 ? 56.257 4.457 85.433 1.00 10.90 ? 23 GLU H O 1 ATOM 102 C CB . GLU A 1 8 ? 53.544 4.897 87.261 1.00 11.43 ? 23 GLU H CB 1 ATOM 103 C CG . GLU A 1 8 ? 52.412 4.367 88.108 1.00 13.71 ? 23 GLU H CG 1 ATOM 104 C CD . GLU A 1 8 ? 52.123 5.246 89.285 1.00 15.72 ? 23 GLU H CD 1 ATOM 105 O OE1 . GLU A 1 8 ? 51.615 6.362 89.109 1.00 18.08 ? 23 GLU H OE1 1 ATOM 106 O OE2 . GLU A 1 8 ? 52.440 4.834 90.409 1.00 18.62 ? 23 GLU H OE2 1 ATOM 107 H H . GLU A 1 8 ? 54.946 2.983 87.799 1.00 13.84 ? 23 GLU H H 1 ATOM 108 H HA . GLU A 1 8 ? 53.318 3.503 85.793 1.00 13.84 ? 23 GLU H HA 1 ATOM 109 H HB2 . GLU A 1 8 ? 54.262 5.167 87.854 1.00 13.71 ? 23 GLU H HB2 1 ATOM 110 H HB3 . GLU A 1 8 ? 53.215 5.664 86.766 1.00 13.71 ? 23 GLU H HB3 1 ATOM 111 H HG2 . GLU A 1 8 ? 51.608 4.314 87.567 1.00 16.45 ? 23 GLU H HG2 1 ATOM 112 H HG3 . GLU A 1 8 ? 52.649 3.487 88.440 1.00 16.45 ? 23 GLU H HG3 1 ATOM 113 N N . ILE A 1 9 ? 54.473 5.112 84.239 1.00 11.93 ? 24 ILE H N 1 ATOM 114 C CA . ILE A 1 9 ? 55.293 5.862 83.293 1.00 12.03 ? 24 ILE H CA 1 ATOM 115 C C . ILE A 1 9 ? 56.037 6.996 84.008 1.00 10.95 ? 24 ILE H C 1 ATOM 116 O O . ILE A 1 9 ? 55.457 7.756 84.765 1.00 11.24 ? 24 ILE H O 1 ATOM 117 C CB . ILE A 1 9 ? 54.427 6.407 82.134 1.00 12.99 ? 24 ILE H CB 1 ATOM 118 C CG1 . ILE A 1 9 ? 53.740 5.259 81.380 1.00 14.19 ? 24 ILE H CG1 1 ATOM 119 C CG2 . ILE A 1 9 ? 55.260 7.285 81.211 1.00 13.48 ? 24 ILE H CG2 1 ATOM 120 C CD1 . ILE A 1 9 ? 54.680 4.270 80.761 1.00 15.32 ? 24 ILE H CD1 1 ATOM 121 H H . ILE A 1 9 ? 53.631 5.114 84.063 1.00 14.32 ? 24 ILE H H 1 ATOM 122 H HA . ILE A 1 9 ? 55.956 5.265 82.912 1.00 14.44 ? 24 ILE H HA 1 ATOM 123 H HB . ILE A 1 9 ? 53.732 6.963 82.521 1.00 15.59 ? 24 ILE H HB 1 ATOM 124 H HG12 . ILE A 1 9 ? 53.172 4.777 82.001 1.00 17.03 ? 24 ILE H HG12 1 ATOM 125 H HG13 . ILE A 1 9 ? 53.199 5.636 80.668 1.00 17.03 ? 24 ILE H HG13 1 ATOM 126 H HG21 . ILE A 1 9 ? 55.987 6.757 80.845 1.00 16.18 ? 24 ILE H HG21 1 ATOM 127 H HG22 . ILE A 1 9 ? 54.696 7.614 80.494 1.00 16.18 ? 24 ILE H HG22 1 ATOM 128 H HG23 . ILE A 1 9 ? 55.616 8.030 81.721 1.00 16.18 ? 24 ILE H HG23 1 ATOM 129 H HD11 . ILE A 1 9 ? 55.221 3.870 81.460 1.00 18.39 ? 24 ILE H HD11 1 ATOM 130 H HD12 . ILE A 1 9 ? 54.163 3.584 80.309 1.00 18.39 ? 24 ILE H HD12 1 ATOM 131 H HD13 . ILE A 1 9 ? 55.248 4.730 80.124 1.00 18.39 ? 24 ILE H HD13 1 ATOM 132 N N . GLY A 1 10 ? 57.345 7.062 83.804 1.00 10.76 ? 25 GLY H N 1 ATOM 133 C CA . GLY A 1 10 ? 58.178 8.088 84.402 1.00 10.71 ? 25 GLY H CA 1 ATOM 134 C C . GLY A 1 10 ? 58.414 7.933 85.898 1.00 9.44 ? 25 GLY H C 1 ATOM 135 O O . GLY A 1 10 ? 58.910 8.864 86.531 1.00 9.70 ? 25 GLY H O 1 ATOM 136 H H . GLY A 1 10 ? 57.782 6.509 83.311 1.00 12.91 ? 25 GLY H H 1 ATOM 137 H HA2 . GLY A 1 10 ? 59.042 8.088 83.961 1.00 12.85 ? 25 GLY H HA2 1 ATOM 138 H HA3 . GLY A 1 10 ? 57.765 8.954 84.253 1.00 12.85 ? 25 GLY H HA3 1 ATOM 139 N N . MET A 1 11 ? 58.090 6.769 86.462 1.00 9.52 ? 26 MET H N 1 ATOM 140 C CA . MET A 1 11 ? 58.227 6.546 87.898 1.00 9.36 ? 26 MET H CA 1 ATOM 141 C C . MET A 1 11 ? 59.674 6.467 88.348 1.00 8.31 ? 26 MET H C 1 ATOM 142 O O . MET A 1 11 ? 59.980 6.787 89.489 1.00 8.36 ? 26 MET H O 1 ATOM 143 C CB . MET A 1 11 ? 57.500 5.250 88.262 1.00 10.19 ? 26 MET H CB 1 ATOM 144 C CG . MET A 1 11 ? 57.216 5.034 89.724 1.00 12.52 ? 26 MET H CG 1 ATOM 145 S SD . MET A 1 11 ? 56.587 3.346 89.945 1.00 13.05 ? 26 MET H SD 1 ATOM 146 C CE . MET A 1 11 ? 55.643 3.551 91.457 1.00 13.82 ? 26 MET H CE 1 ATOM 147 H H . MET A 1 11 ? 57.786 6.090 86.031 1.00 11.42 ? 26 MET H H 1 ATOM 148 H HA . MET A 1 11 ? 57.792 7.273 88.370 1.00 11.23 ? 26 MET H HA 1 ATOM 149 H HB2 . MET A 1 11 ? 56.648 5.239 87.799 1.00 12.22 ? 26 MET H HB2 1 ATOM 150 H HB3 . MET A 1 11 ? 58.040 4.503 87.960 1.00 12.22 ? 26 MET H HB3 1 ATOM 151 H HG2 . MET A 1 11 ? 58.034 5.133 90.237 1.00 15.02 ? 26 MET H HG2 1 ATOM 152 H HG3 . MET A 1 11 ? 56.541 5.662 90.026 1.00 15.02 ? 26 MET H HG3 1 ATOM 153 H HE1 . MET A 1 11 ? 54.951 4.215 91.308 1.00 16.58 ? 26 MET H HE1 1 ATOM 154 H HE2 . MET A 1 11 ? 55.241 2.701 91.696 1.00 16.58 ? 26 MET H HE2 1 ATOM 155 H HE3 . MET A 1 11 ? 56.238 3.846 92.163 1.00 16.58 ? 26 MET H HE3 1 ATOM 156 N N . SER A 1 12 ? 60.538 5.986 87.462 1.00 8.65 ? 27 SER H N 1 ATOM 157 C CA A SER A 1 12 ? 61.946 5.749 87.777 0.76 8.97 ? 27 SER H CA 1 ATOM 158 C CA B SER A 1 12 ? 61.955 5.768 87.780 0.24 8.82 ? 27 SER H CA 1 ATOM 159 C C . SER A 1 12 ? 62.803 6.262 86.617 1.00 8.32 ? 27 SER H C 1 ATOM 160 O O . SER A 1 12 ? 63.395 5.471 85.893 1.00 8.65 ? 27 SER H O 1 ATOM 161 C CB A SER A 1 12 ? 62.156 4.273 88.055 0.76 9.54 ? 27 SER H CB 1 ATOM 162 C CB B SER A 1 12 ? 62.237 4.288 88.046 0.24 9.33 ? 27 SER H CB 1 ATOM 163 O OG A SER A 1 12 ? 63.449 4.033 88.552 0.76 9.81 ? 27 SER H OG 1 ATOM 164 O OG B SER A 1 12 ? 61.507 3.799 89.159 0.24 9.79 ? 27 SER H OG 1 ATOM 165 H H A SER A 1 12 ? 60.329 5.785 86.652 0.76 10.38 ? 27 SER H H 1 ATOM 166 H H B SER A 1 12 ? 60.329 5.774 86.655 0.24 10.38 ? 27 SER H H 1 ATOM 167 H HA A SER A 1 12 ? 62.184 6.246 88.575 0.76 10.77 ? 27 SER H HA 1 ATOM 168 H HA B SER A 1 12 ? 62.192 6.275 88.572 0.24 10.59 ? 27 SER H HA 1 ATOM 169 H HB2 A SER A 1 12 ? 61.506 3.981 88.713 0.76 11.45 ? 27 SER H HB2 1 ATOM 170 H HB2 B SER A 1 12 ? 61.987 3.777 87.260 0.24 11.20 ? 27 SER H HB2 1 ATOM 171 H HB3 A SER A 1 12 ? 62.038 3.777 87.230 0.76 11.45 ? 27 SER H HB3 1 ATOM 172 H HB3 B SER A 1 12 ? 63.185 4.178 88.221 0.24 11.20 ? 27 SER H HB3 1 ATOM 173 H HG A SER A 1 12 ? 63.551 3.212 88.701 0.76 11.78 ? 27 SER H HG 1 ATOM 174 H HG B SER A 1 12 ? 61.714 4.230 89.850 0.24 11.75 ? 27 SER H HG 1 ATOM 175 N N . PRO A 1 13 ? 62.836 7.590 86.403 1.00 8.37 ? 28 PRO H N 1 ATOM 176 C CA . PRO A 1 13 ? 63.425 8.114 85.161 1.00 8.76 ? 28 PRO H CA 1 ATOM 177 C C . PRO A 1 13 ? 64.948 8.042 85.128 1.00 8.61 ? 28 PRO H C 1 ATOM 178 O O . PRO A 1 13 ? 65.574 8.321 84.099 1.00 9.08 ? 28 PRO H O 1 ATOM 179 C CB . PRO A 1 13 ? 62.866 9.533 85.087 1.00 9.02 ? 28 PRO H CB 1 ATOM 180 C CG . PRO A 1 13 ? 62.728 9.915 86.560 1.00 9.26 ? 28 PRO H CG 1 ATOM 181 C CD . PRO A 1 13 ? 62.216 8.651 87.217 1.00 8.63 ? 28 PRO H CD 1 ATOM 182 H HA . PRO A 1 13 ? 63.081 7.612 84.406 1.00 10.51 ? 28 PRO H HA 1 ATOM 183 H HB2 . PRO A 1 13 ? 63.494 10.116 84.632 1.00 10.83 ? 28 PRO H HB2 1 ATOM 184 H HB3 . PRO A 1 13 ? 62.004 9.530 84.643 1.00 10.83 ? 28 PRO H HB3 1 ATOM 185 H HG2 . PRO A 1 13 ? 63.593 10.167 86.918 1.00 11.11 ? 28 PRO H HG2 1 ATOM 186 H HG3 . PRO A 1 13 ? 62.088 10.638 86.654 1.00 11.11 ? 28 PRO H HG3 1 ATOM 187 H HD2 . PRO A 1 13 ? 62.523 8.598 88.136 1.00 10.35 ? 28 PRO H HD2 1 ATOM 188 H HD3 . PRO A 1 13 ? 61.249 8.604 87.159 1.00 10.35 ? 28 PRO H HD3 1 ATOM 189 N N . TRP A 1 14 ? 65.534 7.624 86.257 1.00 8.07 ? 29 TRP H N 1 ATOM 190 C CA . TRP A 1 14 ? 66.948 7.330 86.366 1.00 8.54 ? 29 TRP H CA 1 ATOM 191 C C . TRP A 1 14 ? 67.259 5.883 86.017 1.00 8.22 ? 29 TRP H C 1 ATOM 192 O O . TRP A 1 14 ? 68.418 5.499 86.010 1.00 8.63 ? 29 TRP H O 1 ATOM 193 C CB . TRP A 1 14 ? 67.453 7.645 87.796 1.00 8.24 ? 29 TRP H CB 1 ATOM 194 C CG . TRP A 1 14 ? 66.449 7.334 88.845 1.00 8.21 ? 29 TRP H CG 1 ATOM 195 C CD1 . TRP A 1 14 ? 66.162 6.134 89.421 1.00 8.63 ? 29 TRP H CD1 1 ATOM 196 C CD2 . TRP A 1 14 ? 65.563 8.277 89.453 1.00 8.20 ? 29 TRP H CD2 1 ATOM 197 N NE1 . TRP A 1 14 ? 65.160 6.268 90.336 1.00 8.74 ? 29 TRP H NE1 1 ATOM 198 C CE2 . TRP A 1 14 ? 64.763 7.576 90.375 1.00 8.53 ? 29 TRP H CE2 1 ATOM 199 C CE3 . TRP A 1 14 ? 65.363 9.654 89.293 1.00 8.46 ? 29 TRP H CE3 1 ATOM 200 C CZ2 . TRP A 1 14 ? 63.782 8.210 91.144 1.00 9.20 ? 29 TRP H CZ2 1 ATOM 201 C CZ3 . TRP A 1 14 ? 64.403 10.281 90.072 1.00 9.08 ? 29 TRP H CZ3 1 ATOM 202 C CH2 . TRP A 1 14 ? 63.621 9.551 90.966 1.00 9.41 ? 29 TRP H CH2 1 ATOM 203 H H . TRP A 1 14 ? 65.107 7.503 86.994 1.00 9.69 ? 29 TRP H H 1 ATOM 204 H HA . TRP A 1 14 ? 67.434 7.896 85.747 1.00 10.25 ? 29 TRP H HA 1 ATOM 205 H HB2 . TRP A 1 14 ? 68.246 7.116 87.974 1.00 9.89 ? 29 TRP H HB2 1 ATOM 206 H HB3 . TRP A 1 14 ? 67.665 8.590 87.855 1.00 9.89 ? 29 TRP H HB3 1 ATOM 207 H HD1 . TRP A 1 14 ? 66.583 5.332 89.211 1.00 10.36 ? 29 TRP H HD1 1 ATOM 208 H HE1 . TRP A 1 14 ? 64.825 5.630 90.806 1.00 10.49 ? 29 TRP H HE1 1 ATOM 209 H HE3 . TRP A 1 14 ? 65.875 10.141 88.689 1.00 10.15 ? 29 TRP H HE3 1 ATOM 210 H HZ2 . TRP A 1 14 ? 63.268 7.738 91.759 1.00 11.04 ? 29 TRP H HZ2 1 ATOM 211 H HZ3 . TRP A 1 14 ? 64.253 11.193 89.969 1.00 10.90 ? 29 TRP H HZ3 1 ATOM 212 H HH2 . TRP A 1 14 ? 62.981 9.998 91.472 1.00 11.29 ? 29 TRP H HH2 1 ATOM 213 N N . GLN A 1 15 ? 66.263 5.044 85.774 1.00 8.59 ? 30 GLN H N 1 ATOM 214 C CA A GLN A 1 15 ? 66.497 3.644 85.439 0.54 8.92 ? 30 GLN H CA 1 ATOM 215 C CA B GLN A 1 15 ? 66.573 3.644 85.518 0.46 9.39 ? 30 GLN H CA 1 ATOM 216 C C . GLN A 1 15 ? 67.302 3.494 84.175 1.00 9.30 ? 30 GLN H C 1 ATOM 217 O O . GLN A 1 15 ? 66.955 4.122 83.171 1.00 10.62 ? 30 GLN H O 1 ATOM 218 C CB A GLN A 1 15 ? 65.179 2.932 85.173 0.54 8.71 ? 30 GLN H CB 1 ATOM 219 C CB B GLN A 1 15 ? 65.308 2.775 85.599 0.46 10.18 ? 30 GLN H CB 1 ATOM 220 C CG A GLN A 1 15 ? 65.300 1.441 85.361 0.54 8.15 ? 30 GLN H CG 1 ATOM 221 C CG B GLN A 1 15 ? 65.495 1.275 85.358 0.46 9.86 ? 30 GLN H CG 1 ATOM 222 C CD A GLN A 1 15 ? 65.333 1.054 86.805 0.54 8.07 ? 30 GLN H CD 1 ATOM 223 C CD B GLN A 1 15 ? 66.103 0.506 86.524 0.46 11.36 ? 30 GLN H CD 1 ATOM 224 O OE1 A GLN A 1 15 ? 64.834 1.761 87.657 0.54 8.41 ? 30 GLN H OE1 1 ATOM 225 O OE1 B GLN A 1 15 ? 65.828 0.759 87.690 0.46 12.43 ? 30 GLN H OE1 1 ATOM 226 N NE2 A GLN A 1 15 ? 65.883 -0.111 87.088 0.54 9.32 ? 30 GLN H NE2 1 ATOM 227 N NE2 B GLN A 1 15 ? 66.945 -0.432 86.203 0.46 12.58 ? 30 GLN H NE2 1 ATOM 228 H H A GLN A 1 15 ? 65.431 5.262 85.797 0.54 10.31 ? 30 GLN H H 1 ATOM 229 H H B GLN A 1 15 ? 65.428 5.249 85.752 0.46 10.31 ? 30 GLN H H 1 ATOM 230 H HA A GLN A 1 15 ? 66.959 3.198 86.166 0.54 10.71 ? 30 GLN H HA 1 ATOM 231 H HA B GLN A 1 15 ? 67.178 3.335 86.210 0.46 11.27 ? 30 GLN H HA 1 ATOM 232 H HB2 A GLN A 1 15 ? 64.508 3.262 85.790 0.54 10.45 ? 30 GLN H HB2 1 ATOM 233 H HB2 B GLN A 1 15 ? 64.925 2.878 86.484 0.46 12.22 ? 30 GLN H HB2 1 ATOM 234 H HB3 A GLN A 1 15 ? 64.905 3.101 84.258 0.54 10.45 ? 30 GLN H HB3 1 ATOM 235 H HB3 B GLN A 1 15 ? 64.677 3.097 84.937 0.46 12.22 ? 30 GLN H HB3 1 ATOM 236 H HG2 A GLN A 1 15 ? 64.537 1.006 84.949 0.54 9.78 ? 30 GLN H HG2 1 ATOM 237 H HG2 B GLN A 1 15 ? 64.629 0.883 85.168 0.46 11.83 ? 30 GLN H HG2 1 ATOM 238 H HG3 A GLN A 1 15 ? 66.122 1.134 84.947 0.54 9.78 ? 30 GLN H HG3 1 ATOM 239 H HG3 B GLN A 1 15 ? 66.080 1.157 84.593 0.46 11.83 ? 30 GLN H HG3 1 ATOM 240 H HE21 A GLN A 1 15 ? 66.198 -0.603 86.457 0.54 11.18 ? 30 GLN H HE21 1 ATOM 241 H HE21 B GLN A 1 15 ? 67.126 -0.583 85.376 0.46 15.09 ? 30 GLN H HE21 1 ATOM 242 H HE22 A GLN A 1 15 ? 65.926 -0.379 87.904 0.54 11.18 ? 30 GLN H HE22 1 ATOM 243 H HE22 B GLN A 1 15 ? 67.321 -0.901 86.818 0.46 15.09 ? 30 GLN H HE22 1 ATOM 244 N N . VAL A 1 16 ? 68.313 2.643 84.183 1.00 8.86 ? 31 VAL H N 1 ATOM 245 C CA . VAL A 1 16 ? 69.108 2.356 82.987 1.00 9.44 ? 31 VAL H CA 1 ATOM 246 C C . VAL A 1 16 ? 69.123 0.847 82.779 1.00 9.73 ? 31 VAL H C 1 ATOM 247 O O . VAL A 1 16 ? 69.218 0.072 83.736 1.00 9.90 ? 31 VAL H O 1 ATOM 248 C CB . VAL A 1 16 ? 70.526 2.927 83.134 1.00 10.04 ? 31 VAL H CB 1 ATOM 249 C CG1 . VAL A 1 16 ? 71.426 2.512 81.978 1.00 11.13 ? 31 VAL H CG1 1 ATOM 250 C CG2 . VAL A 1 16 ? 70.471 4.460 83.278 1.00 10.75 ? 31 VAL H CG2 1 ATOM 251 H H . VAL A 1 16 ? 68.568 2.208 84.879 1.00 10.64 ? 31 VAL H H 1 ATOM 252 H HA . VAL A 1 16 ? 68.690 2.767 82.215 1.00 11.33 ? 31 VAL H HA 1 ATOM 253 H HB . VAL A 1 16 ? 70.916 2.572 83.948 1.00 12.05 ? 31 VAL H HB 1 ATOM 254 H HG11 . VAL A 1 16 ? 71.046 2.840 81.148 1.00 13.36 ? 31 VAL H HG11 1 ATOM 255 H HG12 . VAL A 1 16 ? 72.308 2.894 82.112 1.00 13.36 ? 31 VAL H HG12 1 ATOM 256 H HG13 . VAL A 1 16 ? 71.485 1.544 81.955 1.00 13.36 ? 31 VAL H HG13 1 ATOM 257 H HG21 . VAL A 1 16 ? 69.952 4.685 84.065 1.00 12.90 ? 31 VAL H HG21 1 ATOM 258 H HG22 . VAL A 1 16 ? 71.375 4.801 83.369 1.00 12.90 ? 31 VAL H HG22 1 ATOM 259 H HG23 . VAL A 1 16 ? 70.054 4.837 82.487 1.00 12.90 ? 31 VAL H HG23 1 ATOM 260 N N . MET A 1 17 ? 69.033 0.435 81.519 1.00 10.75 ? 32 MET H N 1 ATOM 261 C CA . MET A 1 17 ? 69.251 -0.933 81.123 1.00 11.18 ? 32 MET H CA 1 ATOM 262 C C . MET A 1 17 ? 70.637 -1.067 80.501 1.00 11.47 ? 32 MET H C 1 ATOM 263 O O . MET A 1 17 ? 70.970 -0.363 79.555 1.00 12.86 ? 32 MET H O 1 ATOM 264 C CB . MET A 1 17 ? 68.188 -1.351 80.078 1.00 11.50 ? 32 MET H CB 1 ATOM 265 C CG . MET A 1 17 ? 68.318 -2.793 79.630 1.00 13.59 ? 32 MET H CG 1 ATOM 266 S SD . MET A 1 17 ? 67.162 -3.279 78.332 1.00 14.57 ? 32 MET H SD 1 ATOM 267 C CE . MET A 1 17 ? 65.636 -3.242 79.235 1.00 14.64 ? 32 MET H CE 1 ATOM 268 H H . MET A 1 17 ? 68.841 0.954 80.861 1.00 12.89 ? 32 MET H H 1 ATOM 269 H HA . MET A 1 17 ? 69.178 -1.516 81.895 1.00 13.42 ? 32 MET H HA 1 ATOM 270 H HB2 . MET A 1 17 ? 67.306 -1.238 80.465 1.00 13.80 ? 32 MET H HB2 1 ATOM 271 H HB3 . MET A 1 17 ? 68.279 -0.786 79.295 1.00 13.80 ? 32 MET H HB3 1 ATOM 272 H HG2 . MET A 1 17 ? 69.216 -2.933 79.292 1.00 16.31 ? 32 MET H HG2 1 ATOM 273 H HG3 . MET A 1 17 ? 68.162 -3.371 80.394 1.00 16.31 ? 32 MET H HG3 1 ATOM 274 H HE1 . MET A 1 17 ? 65.493 -2.346 79.576 1.00 17.57 ? 32 MET H HE1 1 ATOM 275 H HE2 . MET A 1 17 ? 64.911 -3.490 78.640 1.00 17.57 ? 32 MET H HE2 1 ATOM 276 H HE3 . MET A 1 17 ? 65.690 -3.872 79.971 1.00 17.57 ? 32 MET H HE3 1 ATOM 277 N N . LEU A 1 18 ? 71.432 -1.978 81.041 1.00 11.63 ? 33 LEU H N 1 ATOM 278 C CA A LEU A 1 18 ? 72.668 -2.384 80.395 0.49 12.51 ? 33 LEU H CA 1 ATOM 279 C CA B LEU A 1 18 ? 72.708 -2.396 80.451 0.51 12.36 ? 33 LEU H CA 1 ATOM 280 C C . LEU A 1 18 ? 72.379 -3.498 79.442 1.00 12.78 ? 33 LEU H C 1 ATOM 281 O O . LEU A 1 18 ? 71.758 -4.501 79.806 1.00 13.91 ? 33 LEU H O 1 ATOM 282 C CB A LEU A 1 18 ? 73.696 -2.830 81.408 0.49 13.34 ? 33 LEU H CB 1 ATOM 283 C CB B LEU A 1 18 ? 73.703 -2.889 81.530 0.51 13.16 ? 33 LEU H CB 1 ATOM 284 C CG A LEU A 1 18 ? 73.972 -1.744 82.425 0.49 14.08 ? 33 LEU H CG 1 ATOM 285 C CG B LEU A 1 18 ? 75.172 -3.226 81.161 0.51 13.82 ? 33 LEU H CG 1 ATOM 286 C CD1 A LEU A 1 18 ? 75.164 -2.154 83.244 0.49 13.69 ? 33 LEU H CD1 1 ATOM 287 C CD1 B LEU A 1 18 ? 75.903 -1.966 80.694 0.51 13.62 ? 33 LEU H CD1 1 ATOM 288 C CD2 A LEU A 1 18 ? 74.222 -0.423 81.801 0.49 14.50 ? 33 LEU H CD2 1 ATOM 289 C CD2 B LEU A 1 18 ? 75.945 -3.902 82.310 0.51 14.11 ? 33 LEU H CD2 1 ATOM 290 H H A LEU A 1 18 ? 71.277 -2.379 81.786 0.49 13.95 ? 33 LEU H H 1 ATOM 291 H H B LEU A 1 18 ? 71.252 -2.387 81.776 0.51 13.95 ? 33 LEU H H 1 ATOM 292 H HA A LEU A 1 18 ? 73.033 -1.637 79.894 0.49 15.02 ? 33 LEU H HA 1 ATOM 293 H HA B LEU A 1 18 ? 73.109 -1.651 79.977 0.51 14.83 ? 33 LEU H HA 1 ATOM 294 H HB2 A LEU A 1 18 ? 73.365 -3.611 81.879 0.49 16.01 ? 33 LEU H HB2 1 ATOM 295 H HB2 B LEU A 1 18 ? 73.746 -2.205 82.216 0.51 15.80 ? 33 LEU H HB2 1 ATOM 296 H HB3 A LEU A 1 18 ? 74.526 -3.039 80.952 0.49 16.01 ? 33 LEU H HB3 1 ATOM 297 H HB3 B LEU A 1 18 ? 73.329 -3.695 81.920 0.51 15.80 ? 33 LEU H HB3 1 ATOM 298 H HG A LEU A 1 18 ? 73.210 -1.660 83.020 0.49 16.90 ? 33 LEU H HG 1 ATOM 299 H HG B LEU A 1 18 ? 75.163 -3.847 80.416 0.51 16.58 ? 33 LEU H HG 1 ATOM 300 H HD11 A LEU A 1 18 ? 75.928 -2.265 82.655 0.49 16.43 ? 33 LEU H HD11 1 ATOM 301 H HD11 B LEU A 1 18 ? 75.894 -1.312 81.411 0.51 16.34 ? 33 LEU H HD11 1 ATOM 302 H HD12 A LEU A 1 18 ? 75.349 -1.463 83.899 0.49 16.43 ? 33 LEU H HD12 1 ATOM 303 H HD12 B LEU A 1 18 ? 76.818 -2.197 80.469 0.51 16.34 ? 33 LEU H HD12 1 ATOM 304 H HD13 A LEU A 1 18 ? 74.966 -2.991 83.692 0.49 16.43 ? 33 LEU H HD13 1 ATOM 305 H HD13 B LEU A 1 18 ? 75.450 -1.608 79.915 0.51 16.34 ? 33 LEU H HD13 1 ATOM 306 H HD21 A LEU A 1 18 ? 73.440 -0.163 81.289 0.49 17.40 ? 33 LEU H HD21 1 ATOM 307 H HD21 B LEU A 1 18 ? 75.499 -4.731 82.545 0.51 16.94 ? 33 LEU H HD21 1 ATOM 308 H HD22 A LEU A 1 18 ? 74.392 0.229 82.499 0.49 17.40 ? 33 LEU H HD22 1 ATOM 309 H HD22 B LEU A 1 18 ? 76.851 -4.086 82.015 0.51 16.94 ? 33 LEU H HD22 1 ATOM 310 H HD23 A LEU A 1 18 ? 74.993 -0.491 81.216 0.49 17.40 ? 33 LEU H HD23 1 ATOM 311 H HD23 B LEU A 1 18 ? 75.959 -3.305 83.074 0.51 16.94 ? 33 LEU H HD23 1 ATOM 312 N N . PHE A 1 19 ? 72.764 -3.269 78.191 1.00 15.75 ? 34 PHE H N 1 ATOM 313 C CA . PHE A 1 19 ? 72.341 -4.090 77.074 1.00 17.95 ? 34 PHE H CA 1 ATOM 314 C C . PHE A 1 19 ? 73.539 -4.614 76.320 1.00 19.45 ? 34 PHE H C 1 ATOM 315 O O . PHE A 1 19 ? 74.419 -3.856 75.914 1.00 21.40 ? 34 PHE H O 1 ATOM 316 C CB . PHE A 1 19 ? 71.458 -3.252 76.141 1.00 18.20 ? 34 PHE H CB 1 ATOM 317 C CG . PHE A 1 19 ? 70.659 -4.064 75.169 1.00 19.81 ? 34 PHE H CG 1 ATOM 318 C CD1 . PHE A 1 19 ? 69.619 -4.857 75.628 1.00 22.60 ? 34 PHE H CD1 1 ATOM 319 C CD2 . PHE A 1 19 ? 70.937 -4.031 73.803 1.00 21.90 ? 34 PHE H CD2 1 ATOM 320 C CE1 . PHE A 1 19 ? 68.869 -5.598 74.769 1.00 24.00 ? 34 PHE H CE1 1 ATOM 321 C CE2 . PHE A 1 19 ? 70.173 -4.769 72.923 1.00 23.24 ? 34 PHE H CE2 1 ATOM 322 C CZ . PHE A 1 19 ? 69.139 -5.568 73.424 1.00 23.15 ? 34 PHE H CZ 1 ATOM 323 H H . PHE A 1 19 ? 73.286 -2.624 77.964 1.00 18.91 ? 34 PHE H H 1 ATOM 324 H HA . PHE A 1 19 ? 71.823 -4.844 77.398 1.00 21.54 ? 34 PHE H HA 1 ATOM 325 H HB2 . PHE A 1 19 ? 70.836 -2.737 76.679 1.00 21.84 ? 34 PHE H HB2 1 ATOM 326 H HB3 . PHE A 1 19 ? 72.024 -2.652 75.631 1.00 21.84 ? 34 PHE H HB3 1 ATOM 327 H HD1 . PHE A 1 19 ? 71.627 -3.496 73.483 1.00 26.27 ? 34 PHE H HD1 1 ATOM 328 H HD2 . PHE A 1 19 ? 69.431 -4.882 76.538 1.00 27.12 ? 34 PHE H HD2 1 ATOM 329 H HE1 . PHE A 1 19 ? 70.358 -4.755 72.012 1.00 27.89 ? 34 PHE H HE1 1 ATOM 330 H HE2 . PHE A 1 19 ? 68.176 -6.127 75.093 1.00 28.80 ? 34 PHE H HE2 1 ATOM 331 H HZ . PHE A 1 19 ? 68.624 -6.074 72.839 1.00 27.78 ? 34 PHE H HZ 1 ATOM 332 N N . ARG A 1 20 ? 73.601 -5.931 76.180 1.00 20.33 ? 35 ARG H N 1 ATOM 333 C CA . ARG A 1 20 ? 74.691 -6.542 75.436 1.00 22.54 ? 35 ARG H CA 1 ATOM 334 C C . ARG A 1 20 ? 74.454 -6.358 73.944 1.00 23.77 ? 35 ARG H C 1 ATOM 335 O O . ARG A 1 20 ? 73.348 -6.554 73.476 1.00 24.41 ? 35 ARG H O 1 ATOM 336 C CB . ARG A 1 20 ? 74.749 -8.024 75.750 1.00 24.78 ? 35 ARG H CB 1 ATOM 337 C CG . ARG A 1 20 ? 76.013 -8.706 75.323 1.00 27.00 ? 35 ARG H CG 1 ATOM 338 C CD . ARG A 1 20 ? 75.942 -10.155 75.724 1.00 30.89 ? 35 ARG H CD 1 ATOM 339 N NE . ARG A 1 20 ? 77.188 -10.868 75.524 1.00 33.87 ? 35 ARG H NE 1 ATOM 340 C CZ . ARG A 1 20 ? 77.435 -12.051 76.067 1.00 36.06 ? 35 ARG H CZ 1 ATOM 341 N NH1 . ARG A 1 20 ? 76.526 -12.615 76.855 1.00 36.79 ? 35 ARG H NH1 1 ATOM 342 N NH2 . ARG A 1 20 ? 78.586 -12.662 75.837 1.00 36.76 ? 35 ARG H NH2 1 ATOM 343 H H . ARG A 1 20 ? 73.031 -6.488 76.503 1.00 24.40 ? 35 ARG H H 1 ATOM 344 H HA . ARG A 1 20 ? 75.535 -6.130 75.679 1.00 27.04 ? 35 ARG H HA 1 ATOM 345 H HB2 . ARG A 1 20 ? 74.663 -8.140 76.710 1.00 29.74 ? 35 ARG H HB2 1 ATOM 346 H HB3 . ARG A 1 20 ? 74.012 -8.465 75.301 1.00 29.74 ? 35 ARG H HB3 1 ATOM 347 H HG2 . ARG A 1 20 ? 76.106 -8.652 74.359 1.00 32.40 ? 35 ARG H HG2 1 ATOM 348 H HG3 . ARG A 1 20 ? 76.773 -8.296 75.765 1.00 32.40 ? 35 ARG H HG3 1 ATOM 349 H HD2 . ARG A 1 20 ? 75.715 -10.210 76.666 1.00 37.07 ? 35 ARG H HD2 1 ATOM 350 H HD3 . ARG A 1 20 ? 75.259 -10.594 75.194 1.00 37.07 ? 35 ARG H HD3 1 ATOM 351 H HE . ARG A 1 20 ? 77.849 -10.436 75.183 1.00 40.64 ? 35 ARG H HE 1 ATOM 352 H HH11 . ARG A 1 20 ? 75.777 -12.218 77.000 1.00 44.15 ? 35 ARG H HH11 1 ATOM 353 H HH12 . ARG A 1 20 ? 76.683 -13.381 77.213 1.00 44.15 ? 35 ARG H HH12 1 ATOM 354 H HH21 . ARG A 1 20 ? 79.176 -12.293 75.332 1.00 44.11 ? 35 ARG H HH21 1 ATOM 355 H HH22 . ARG A 1 20 ? 78.747 -13.426 76.199 1.00 44.11 ? 35 ARG H HH22 1 ATOM 356 N N . LYS A 1 21 ? 75.491 -5.973 73.207 1.00 25.23 ? 36 LYS H N 1 ATOM 357 C CA . LYS A 1 21 ? 75.366 -5.766 71.760 1.00 27.64 ? 36 LYS H CA 1 ATOM 358 C C . LYS A 1 21 ? 75.147 -7.053 70.988 1.00 30.09 ? 36 LYS H C 1 ATOM 359 O O . LYS A 1 21 ? 74.371 -7.079 70.037 1.00 31.37 ? 36 LYS H O 1 ATOM 360 C CB . LYS A 1 21 ? 76.613 -5.080 71.205 1.00 28.62 ? 36 LYS H CB 1 ATOM 361 C CG . LYS A 1 21 ? 76.720 -3.604 71.559 1.00 30.14 ? 36 LYS H CG 1 ATOM 362 C CD . LYS A 1 21 ? 77.873 -2.980 70.797 1.00 32.99 ? 36 LYS H CD 1 ATOM 363 C CE . LYS A 1 21 ? 78.198 -1.594 71.302 1.00 34.27 ? 36 LYS H CE 1 ATOM 364 N NZ . LYS A 1 21 ? 79.400 -1.042 70.614 1.00 35.35 ? 36 LYS H NZ 1 ATOM 365 H H . LYS A 1 21 ? 76.280 -5.823 73.517 1.00 30.27 ? 36 LYS H H 1 ATOM 366 H HA . LYS A 1 21 ? 74.607 -5.186 71.592 1.00 33.16 ? 36 LYS H HA 1 ATOM 367 H HB2 . LYS A 1 21 ? 77.398 -5.527 71.558 1.00 34.34 ? 36 LYS H HB2 1 ATOM 368 H HB3 . LYS A 1 21 ? 76.603 -5.151 70.237 1.00 34.34 ? 36 LYS H HB3 1 ATOM 369 H HG2 . LYS A 1 21 ? 75.901 -3.148 71.310 1.00 36.16 ? 36 LYS H HG2 1 ATOM 370 H HG3 . LYS A 1 21 ? 76.889 -3.508 72.509 1.00 36.16 ? 36 LYS H HG3 1 ATOM 371 H HD2 . LYS A 1 21 ? 78.663 -3.534 70.903 1.00 39.59 ? 36 LYS H HD2 1 ATOM 372 H HD3 . LYS A 1 21 ? 77.636 -2.913 69.859 1.00 39.59 ? 36 LYS H HD3 1 ATOM 373 H HE2 . LYS A 1 21 ? 77.448 -1.004 71.127 1.00 41.13 ? 36 LYS H HE2 1 ATOM 374 H HE3 . LYS A 1 21 ? 78.382 -1.634 72.253 1.00 41.13 ? 36 LYS H HE3 1 ATOM 375 H HZ1 . LYS A 1 21 ? 79.254 -0.995 69.737 1.00 42.42 ? 36 LYS H HZ1 1 ATOM 376 H HZ2 . LYS A 1 21 ? 79.579 -0.227 70.921 1.00 42.42 ? 36 LYS H HZ2 1 ATOM 377 H HZ3 . LYS A 1 21 ? 80.103 -1.568 70.762 1.00 42.42 ? 36 LYS H HZ3 1 ATOM 378 N N . SER A 1 22 A 75.844 -8.119 71.367 1.00 30.85 ? 36 SER H N 1 ATOM 379 C CA . SER A 1 22 A 75.826 -9.338 70.564 1.00 33.01 ? 36 SER H CA 1 ATOM 380 C C . SER A 1 22 A 76.188 -10.519 71.449 1.00 34.00 ? 36 SER H C 1 ATOM 381 O O . SER A 1 22 A 77.303 -10.583 71.944 1.00 35.64 ? 36 SER H O 1 ATOM 382 C CB . SER A 1 22 A 76.823 -9.210 69.417 1.00 34.99 ? 36 SER H CB 1 ATOM 383 H H . SER A 1 22 A 76.330 -8.163 72.075 1.00 37.02 ? 36 SER H H 1 ATOM 384 H HA . SER A 1 22 A 74.940 -9.480 70.196 1.00 39.61 ? 36 SER H HA 1 ATOM 385 N N . PRO A 1 23 ? 75.236 -11.429 71.707 1.00 34.77 ? 37 PRO H N 1 ATOM 386 C CA . PRO A 1 23 ? 73.824 -11.368 71.317 1.00 34.32 ? 37 PRO H CA 1 ATOM 387 C C . PRO A 1 23 ? 73.123 -10.214 72.025 1.00 31.69 ? 37 PRO H C 1 ATOM 388 O O . PRO A 1 23 ? 73.513 -9.816 73.136 1.00 30.53 ? 37 PRO H O 1 ATOM 389 C CB . PRO A 1 23 ? 73.262 -12.698 71.819 1.00 36.13 ? 37 PRO H CB 1 ATOM 390 C CG . PRO A 1 23 ? 74.156 -13.099 72.924 1.00 37.09 ? 37 PRO H CG 1 ATOM 391 C CD . PRO A 1 23 ? 75.520 -12.609 72.543 1.00 37.02 ? 37 PRO H CD 1 ATOM 392 H HA . PRO A 1 23 ? 73.721 -11.295 70.355 1.00 41.18 ? 37 PRO H HA 1 ATOM 393 H HB2 . PRO A 1 23 ? 72.356 -12.570 72.140 1.00 43.36 ? 37 PRO H HB2 1 ATOM 394 H HB3 . PRO A 1 23 ? 73.284 -13.353 71.104 1.00 43.36 ? 37 PRO H HB3 1 ATOM 395 H HG2 . PRO A 1 23 ? 73.862 -12.681 73.748 1.00 44.51 ? 37 PRO H HG2 1 ATOM 396 H HG3 . PRO A 1 23 ? 74.153 -14.065 73.010 1.00 44.51 ? 37 PRO H HG3 1 ATOM 397 H HD2 . PRO A 1 23 ? 76.020 -12.351 73.333 1.00 44.42 ? 37 PRO H HD2 1 ATOM 398 H HD3 . PRO A 1 23 ? 75.990 -13.283 72.028 1.00 44.42 ? 37 PRO H HD3 1 ATOM 399 N N . GLN A 1 24 ? 72.093 -9.672 71.394 1.00 31.26 ? 38 GLN H N 1 ATOM 400 C CA . GLN A 1 24 ? 71.331 -8.575 71.984 1.00 31.14 ? 38 GLN H CA 1 ATOM 401 C C . GLN A 1 24 ? 70.496 -9.106 73.143 1.00 30.12 ? 38 GLN H C 1 ATOM 402 O O . GLN A 1 24 ? 69.563 -9.878 72.964 1.00 31.87 ? 38 GLN H O 1 ATOM 403 C CB . GLN A 1 24 ? 70.481 -7.876 70.898 1.00 32.99 ? 38 GLN H CB 1 ATOM 404 C CG . GLN A 1 24 ? 71.345 -7.085 69.891 1.00 34.59 ? 38 GLN H CG 1 ATOM 405 C CD . GLN A 1 24 ? 70.560 -6.310 68.826 1.00 36.01 ? 38 GLN H CD 1 ATOM 406 O OE1 . GLN A 1 24 ? 69.529 -5.693 69.105 1.00 37.74 ? 38 GLN H OE1 1 ATOM 407 N NE2 . GLN A 1 24 ? 71.081 -6.314 67.604 1.00 36.86 ? 38 GLN H NE2 1 ATOM 408 H H . GLN A 1 24 ? 71.811 -9.920 70.620 1.00 37.51 ? 38 GLN H H 1 ATOM 409 H HA . GLN A 1 24 ? 71.951 -7.921 72.341 1.00 37.37 ? 38 GLN H HA 1 ATOM 410 H HB2 . GLN A 1 24 ? 69.982 -8.546 70.406 1.00 39.59 ? 38 GLN H HB2 1 ATOM 411 H HB3 . GLN A 1 24 ? 69.871 -7.254 71.325 1.00 39.59 ? 38 GLN H HB3 1 ATOM 412 H HG2 . GLN A 1 24 ? 71.881 -6.443 70.382 1.00 41.51 ? 38 GLN H HG2 1 ATOM 413 H HG3 . GLN A 1 24 ? 71.926 -7.708 69.428 1.00 41.51 ? 38 GLN H HG3 1 ATOM 414 H HE21 . GLN A 1 24 ? 71.815 -6.734 67.451 1.00 44.23 ? 38 GLN H HE21 1 ATOM 415 H HE22 . GLN A 1 24 ? 70.684 -5.895 66.966 1.00 44.23 ? 38 GLN H HE22 1 ATOM 416 N N . GLU A 1 25 ? 70.844 -8.694 74.361 1.00 27.42 ? 39 GLU H N 1 ATOM 417 C CA . GLU A 1 25 ? 70.165 -9.215 75.545 1.00 26.88 ? 39 GLU H CA 1 ATOM 418 C C . GLU A 1 25 ? 70.348 -8.297 76.755 1.00 22.63 ? 39 GLU H C 1 ATOM 419 O O . GLU A 1 25 ? 71.285 -7.502 76.799 1.00 20.42 ? 39 GLU H O 1 ATOM 420 C CB . GLU A 1 25 ? 70.687 -10.603 75.890 1.00 29.53 ? 39 GLU H CB 1 ATOM 421 C CG . GLU A 1 25 ? 72.152 -10.633 76.299 1.00 31.22 ? 39 GLU H CG 1 ATOM 422 C CD . GLU A 1 25 ? 72.639 -12.049 76.599 1.00 34.47 ? 39 GLU H CD 1 ATOM 423 O OE1 . GLU A 1 25 ? 71.895 -13.010 76.315 1.00 37.36 ? 39 GLU H OE1 1 ATOM 424 O OE2 . GLU A 1 25 ? 73.756 -12.196 77.134 1.00 34.73 ? 39 GLU H OE2 1 ATOM 425 H H . GLU A 1 25 ? 71.463 -8.120 74.527 1.00 32.91 ? 39 GLU H H 1 ATOM 426 H HA . GLU A 1 25 ? 69.215 -9.286 75.360 1.00 32.26 ? 39 GLU H HA 1 ATOM 427 H HB2 . GLU A 1 25 ? 70.167 -10.956 76.629 1.00 35.44 ? 39 GLU H HB2 1 ATOM 428 H HB3 . GLU A 1 25 ? 70.585 -11.176 75.115 1.00 35.44 ? 39 GLU H HB3 1 ATOM 429 H HG2 . GLU A 1 25 ? 72.691 -10.276 75.576 1.00 37.46 ? 39 GLU H HG2 1 ATOM 430 H HG3 . GLU A 1 25 ? 72.270 -10.098 77.099 1.00 37.46 ? 39 GLU H HG3 1 ATOM 431 N N . LEU A 1 26 ? 69.462 -8.423 77.746 1.00 21.21 ? 40 LEU H N 1 ATOM 432 C CA . LEU A 1 26 ? 69.591 -7.670 79.005 1.00 19.28 ? 40 LEU H CA 1 ATOM 433 C C . LEU A 1 26 ? 70.778 -8.198 79.754 1.00 18.26 ? 40 LEU H C 1 ATOM 434 O O . LEU A 1 26 ? 70.893 -9.399 79.958 1.00 21.73 ? 40 LEU H O 1 ATOM 435 C CB . LEU A 1 26 ? 68.351 -7.852 79.899 1.00 21.45 ? 40 LEU H CB 1 ATOM 436 C CG . LEU A 1 26 ? 68.392 -7.314 81.345 1.00 21.76 ? 40 LEU H CG 1 ATOM 437 C CD1 . LEU A 1 26 ? 68.378 -5.808 81.379 1.00 21.68 ? 40 LEU H CD1 1 ATOM 438 C CD2 . LEU A 1 26 ? 67.237 -7.860 82.194 1.00 24.02 ? 40 LEU H CD2 1 ATOM 439 H H . LEU A 1 26 ? 68.775 -8.938 77.716 1.00 25.46 ? 40 LEU H H 1 ATOM 440 H HA . LEU A 1 26 ? 69.720 -6.726 78.823 1.00 23.13 ? 40 LEU H HA 1 ATOM 441 H HB2 . LEU A 1 26 ? 67.604 -7.416 79.459 1.00 25.74 ? 40 LEU H HB2 1 ATOM 442 H HB3 . LEU A 1 26 ? 68.168 -8.803 79.960 1.00 25.74 ? 40 LEU H HB3 1 ATOM 443 H HG . LEU A 1 26 ? 69.219 -7.606 81.758 1.00 26.11 ? 40 LEU H HG 1 ATOM 444 H HD11 . LEU A 1 26 ? 67.567 -5.490 80.953 1.00 26.02 ? 40 LEU H HD11 1 ATOM 445 H HD12 . LEU A 1 26 ? 68.405 -5.513 82.302 1.00 26.02 ? 40 LEU H HD12 1 ATOM 446 H HD13 . LEU A 1 26 ? 69.155 -5.475 80.902 1.00 26.02 ? 40 LEU H HD13 1 ATOM 447 H HD21 . LEU A 1 26 ? 67.298 -8.827 82.224 1.00 28.83 ? 40 LEU H HD21 1 ATOM 448 H HD22 . LEU A 1 26 ? 67.304 -7.495 83.090 1.00 28.83 ? 40 LEU H HD22 1 ATOM 449 H HD23 . LEU A 1 26 ? 66.396 -7.593 81.790 1.00 28.83 ? 40 LEU H HD23 1 ATOM 450 N N . LEU A 1 27 ? 71.656 -7.304 80.178 1.00 15.89 ? 41 LEU H N 1 ATOM 451 C CA . LEU A 1 27 ? 72.760 -7.703 81.048 1.00 17.68 ? 41 LEU H CA 1 ATOM 452 C C . LEU A 1 27 ? 72.543 -7.357 82.506 1.00 17.37 ? 41 LEU H C 1 ATOM 453 O O . LEU A 1 27 ? 72.978 -8.114 83.365 1.00 19.79 ? 41 LEU H O 1 ATOM 454 C CB . LEU A 1 27 ? 74.049 -7.036 80.618 1.00 20.19 ? 41 LEU H CB 1 ATOM 455 C CG . LEU A 1 27 ? 74.672 -7.610 79.361 1.00 21.86 ? 41 LEU H CG 1 ATOM 456 C CD1 . LEU A 1 27 ? 75.963 -6.818 79.108 1.00 21.16 ? 41 LEU H CD1 1 ATOM 457 C CD2 . LEU A 1 27 ? 74.966 -9.103 79.456 1.00 24.27 ? 41 LEU H CD2 1 ATOM 458 H H . LEU A 1 27 ? 71.640 -6.467 79.980 1.00 19.06 ? 41 LEU H H 1 ATOM 459 H HA . LEU A 1 27 ? 72.882 -8.663 80.983 1.00 21.21 ? 41 LEU H HA 1 ATOM 460 H HB2 . LEU A 1 27 ? 73.872 -6.096 80.455 1.00 24.22 ? 41 LEU H HB2 1 ATOM 461 H HB3 . LEU A 1 27 ? 74.698 -7.126 81.334 1.00 24.22 ? 41 LEU H HB3 1 ATOM 462 H HG . LEU A 1 27 ? 74.074 -7.464 78.612 1.00 26.24 ? 41 LEU H HG 1 ATOM 463 H HD11 . LEU A 1 27 ? 76.553 -6.926 79.870 1.00 25.40 ? 41 LEU H HD11 1 ATOM 464 H HD12 . LEU A 1 27 ? 76.390 -7.160 78.307 1.00 25.40 ? 41 LEU H HD12 1 ATOM 465 H HD13 . LEU A 1 27 ? 75.740 -5.882 78.991 1.00 25.40 ? 41 LEU H HD13 1 ATOM 466 H HD21 . LEU A 1 27 ? 74.135 -9.578 79.618 1.00 29.12 ? 41 LEU H HD21 1 ATOM 467 H HD22 . LEU A 1 27 ? 75.360 -9.401 78.622 1.00 29.12 ? 41 LEU H HD22 1 ATOM 468 H HD23 . LEU A 1 27 ? 75.583 -9.257 80.188 1.00 29.12 ? 41 LEU H HD23 1 ATOM 469 N N . CYS A 1 28 ? 71.949 -6.216 82.805 1.00 14.39 ? 42 CYS H N 1 ATOM 470 C CA . CYS A 1 28 ? 71.864 -5.736 84.182 1.00 12.64 ? 42 CYS H CA 1 ATOM 471 C C . CYS A 1 28 ? 71.050 -4.466 84.165 1.00 11.00 ? 42 CYS H C 1 ATOM 472 O O . CYS A 1 28 ? 70.793 -3.885 83.120 1.00 11.28 ? 42 CYS H O 1 ATOM 473 C CB . CYS A 1 28 ? 73.261 -5.432 84.772 1.00 13.25 ? 42 CYS H CB 1 ATOM 474 S SG . CYS A 1 28 ? 74.018 -6.775 85.713 1.00 13.82 ? 42 CYS H SG 1 ATOM 475 H H . CYS A 1 28 ? 71.583 -5.694 82.228 1.00 17.27 ? 42 CYS H H 1 ATOM 476 H HA . CYS A 1 28 ? 71.419 -6.394 84.739 1.00 15.17 ? 42 CYS H HA 1 ATOM 477 H HB2 . CYS A 1 28 ? 73.862 -5.214 84.042 1.00 15.90 ? 42 CYS H HB2 1 ATOM 478 H HB3 . CYS A 1 28 ? 73.184 -4.669 85.366 1.00 15.90 ? 42 CYS H HB3 1 ATOM 479 N N . GLY A 1 29 ? 70.666 -4.036 85.362 1.00 10.54 ? 43 GLY H N 1 ATOM 480 C CA . GLY A 1 29 ? 70.227 -2.676 85.601 1.00 9.63 ? 43 GLY H CA 1 ATOM 481 C C . GLY A 1 29 ? 71.375 -1.759 85.948 1.00 9.04 ? 43 GLY H C 1 ATOM 482 O O . GLY A 1 29 ? 72.522 -2.169 86.127 1.00 9.80 ? 43 GLY H O 1 ATOM 483 H H . GLY A 1 29 ? 70.653 -4.529 86.067 1.00 12.65 ? 43 GLY H H 1 ATOM 484 H HA2 . GLY A 1 29 ? 69.788 -2.334 84.807 1.00 11.56 ? 43 GLY H HA2 1 ATOM 485 H HA3 . GLY A 1 29 ? 69.592 -2.665 86.334 1.00 11.56 ? 43 GLY H HA3 1 ATOM 486 N N . ALA A 1 30 ? 71.019 -0.493 86.077 1.00 9.27 ? 44 ALA H N 1 ATOM 487 C CA . ALA A 1 30 ? 71.953 0.600 86.331 1.00 8.68 ? 44 ALA H CA 1 ATOM 488 C C . ALA A 1 30 ? 71.118 1.852 86.610 1.00 8.38 ? 44 ALA H C 1 ATOM 489 O O . ALA A 1 30 ? 69.895 1.818 86.529 1.00 8.50 ? 44 ALA H O 1 ATOM 490 C CB . ALA A 1 30 ? 72.903 0.809 85.159 1.00 10.08 ? 44 ALA H CB 1 ATOM 491 H H . ALA A 1 30 ? 70.203 -0.227 86.020 1.00 11.13 ? 44 ALA H H 1 ATOM 492 H HA . ALA A 1 30 ? 72.480 0.399 87.120 1.00 10.41 ? 44 ALA H HA 1 ATOM 493 H HB1 . ALA A 1 30 ? 72.385 1.022 84.367 1.00 12.09 ? 44 ALA H HB1 1 ATOM 494 H HB2 . ALA A 1 30 ? 73.505 1.541 85.367 1.00 12.09 ? 44 ALA H HB2 1 ATOM 495 H HB3 . ALA A 1 30 ? 73.410 -0.006 85.014 1.00 12.09 ? 44 ALA H HB3 1 ATOM 496 N N . SER A 1 31 ? 71.771 2.965 86.924 1.00 8.21 ? 45 SER H N 1 ATOM 497 C CA . SER A 1 31 ? 71.056 4.211 87.200 1.00 8.71 ? 45 SER H CA 1 ATOM 498 C C . SER A 1 31 ? 71.824 5.407 86.671 1.00 8.55 ? 45 SER H C 1 ATOM 499 O O . SER A 1 31 ? 73.050 5.404 86.557 1.00 10.14 ? 45 SER H O 1 ATOM 500 C CB . SER A 1 31 ? 70.850 4.370 88.692 1.00 9.32 ? 45 SER H CB 1 ATOM 501 O OG . SER A 1 31 ? 72.098 4.455 89.304 1.00 10.14 ? 45 SER H OG 1 ATOM 502 H H . SER A 1 31 ? 72.626 3.027 86.985 1.00 9.86 ? 45 SER H H 1 ATOM 503 H HA . SER A 1 31 ? 70.187 4.188 86.769 1.00 10.45 ? 45 SER H HA 1 ATOM 504 H HB2 . SER A 1 31 ? 70.350 5.183 88.864 1.00 11.19 ? 45 SER H HB2 1 ATOM 505 H HB3 . SER A 1 31 ? 70.373 3.599 89.037 1.00 11.19 ? 45 SER H HB3 1 ATOM 506 H HG . SER A 1 31 ? 72.006 4.544 90.134 1.00 12.17 ? 45 SER H HG 1 ATOM 507 N N . LEU A 1 32 ? 71.074 6.441 86.319 1.00 8.40 ? 46 LEU H N 1 ATOM 508 C CA . LEU A 1 32 ? 71.628 7.679 85.791 1.00 8.78 ? 46 LEU H CA 1 ATOM 509 C C . LEU A 1 32 ? 71.854 8.656 86.951 1.00 8.91 ? 46 LEU H C 1 ATOM 510 O O . LEU A 1 32 ? 70.915 9.009 87.670 1.00 9.11 ? 46 LEU H O 1 ATOM 511 C CB . LEU A 1 32 ? 70.635 8.282 84.799 1.00 9.56 ? 46 LEU H CB 1 ATOM 512 C CG . LEU A 1 32 ? 71.126 9.487 84.022 1.00 10.89 ? 46 LEU H CG 1 ATOM 513 C CD1 . LEU A 1 32 ? 72.193 9.057 83.044 1.00 12.19 ? 46 LEU H CD1 1 ATOM 514 C CD2 . LEU A 1 32 ? 69.950 10.175 83.313 1.00 12.07 ? 46 LEU H CD2 1 ATOM 515 H H . LEU A 1 32 ? 70.216 6.450 86.378 1.00 10.08 ? 46 LEU H H 1 ATOM 516 H HA . LEU A 1 32 ? 72.471 7.510 85.342 1.00 10.54 ? 46 LEU H HA 1 ATOM 517 H HB2 . LEU A 1 32 ? 70.395 7.599 84.153 1.00 11.47 ? 46 LEU H HB2 1 ATOM 518 H HB3 . LEU A 1 32 ? 69.843 8.556 85.287 1.00 11.47 ? 46 LEU H HB3 1 ATOM 519 H HG . LEU A 1 32 ? 71.521 10.123 84.639 1.00 13.07 ? 46 LEU H HG 1 ATOM 520 H HD11 . LEU A 1 32 ? 71.816 8.406 82.433 1.00 14.63 ? 46 LEU H HD11 1 ATOM 521 H HD12 . LEU A 1 32 ? 72.501 9.834 82.552 1.00 14.63 ? 46 LEU H HD12 1 ATOM 522 H HD13 . LEU A 1 32 ? 72.930 8.662 83.536 1.00 14.63 ? 46 LEU H HD13 1 ATOM 523 H HD21 . LEU A 1 32 ? 69.305 10.462 83.978 1.00 14.48 ? 46 LEU H HD21 1 ATOM 524 H HD22 . LEU A 1 32 ? 70.284 10.942 82.822 1.00 14.48 ? 46 LEU H HD22 1 ATOM 525 H HD23 . LEU A 1 32 ? 69.538 9.545 82.702 1.00 14.48 ? 46 LEU H HD23 1 ATOM 526 N N . ILE A 1 33 ? 73.085 9.104 87.115 1.00 9.59 ? 47 ILE H N 1 ATOM 527 C CA . ILE A 1 33 ? 73.446 10.027 88.191 1.00 10.25 ? 47 ILE H CA 1 ATOM 528 C C . ILE A 1 33 ? 73.852 11.425 87.701 1.00 11.33 ? 47 ILE H C 1 ATOM 529 O O . ILE A 1 33 ? 73.971 12.342 88.501 1.00 12.56 ? 47 ILE H O 1 ATOM 530 C CB . ILE A 1 33 ? 74.484 9.437 89.173 1.00 11.11 ? 47 ILE H CB 1 ATOM 531 C CG1 . ILE A 1 33 ? 75.836 9.185 88.503 1.00 12.68 ? 47 ILE H CG1 1 ATOM 532 C CG2 . ILE A 1 33 ? 73.912 8.179 89.828 1.00 11.21 ? 47 ILE H CG2 1 ATOM 533 C CD1 . ILE A 1 33 ? 76.962 8.840 89.466 1.00 13.39 ? 47 ILE H CD1 1 ATOM 534 H H . ILE A 1 33 ? 73.747 8.888 86.610 1.00 11.50 ? 47 ILE H H 1 ATOM 535 H HA . ILE A 1 33 ? 72.642 10.162 88.716 1.00 12.30 ? 47 ILE H HA 1 ATOM 536 H HB . ILE A 1 33 ? 74.626 10.092 89.874 1.00 13.34 ? 47 ILE H HB 1 ATOM 537 H HG12 . ILE A 1 33 ? 75.742 8.445 87.883 1.00 15.21 ? 47 ILE H HG12 1 ATOM 538 H HG13 . ILE A 1 33 ? 76.097 9.985 88.020 1.00 15.21 ? 47 ILE H HG13 1 ATOM 539 H HG21 . ILE A 1 33 ? 73.709 7.528 89.138 1.00 13.45 ? 47 ILE H HG21 1 ATOM 540 H HG22 . ILE A 1 33 ? 74.570 7.816 90.442 1.00 13.45 ? 47 ILE H HG22 1 ATOM 541 H HG23 . ILE A 1 33 ? 73.104 8.414 90.310 1.00 13.45 ? 47 ILE H HG23 1 ATOM 542 H HD11 . ILE A 1 33 ? 76.726 8.033 89.949 1.00 16.07 ? 47 ILE H HD11 1 ATOM 543 H HD12 . ILE A 1 33 ? 77.777 8.698 88.960 1.00 16.07 ? 47 ILE H HD12 1 ATOM 544 H HD13 . ILE A 1 33 ? 77.082 9.576 90.087 1.00 16.07 ? 47 ILE H HD13 1 ATOM 545 N N . SER A 1 34 ? 74.024 11.594 86.382 1.00 11.99 ? 48 SER H N 1 ATOM 546 C CA . SER A 1 34 ? 74.225 12.902 85.775 1.00 13.45 ? 48 SER H CA 1 ATOM 547 C C . SER A 1 34 ? 74.020 12.710 84.287 1.00 14.78 ? 48 SER H C 1 ATOM 548 O O . SER A 1 34 ? 73.689 11.609 83.854 1.00 16.60 ? 48 SER H O 1 ATOM 549 C CB . SER A 1 34 ? 75.603 13.447 86.052 1.00 14.62 ? 48 SER H CB 1 ATOM 550 O OG . SER A 1 34 ? 76.554 12.777 85.242 1.00 16.20 ? 48 SER H OG 1 ATOM 551 H H . SER A 1 34 ? 74.029 10.948 85.814 1.00 14.39 ? 48 SER H H 1 ATOM 552 H HA . SER A 1 34 ? 73.563 13.528 86.108 1.00 16.14 ? 48 SER H HA 1 ATOM 553 H HB2 . SER A 1 34 ? 75.619 14.395 85.846 1.00 17.55 ? 48 SER H HB2 1 ATOM 554 H HB3 . SER A 1 34 ? 75.822 13.303 86.986 1.00 17.55 ? 48 SER H HB3 1 ATOM 555 H HG . SER A 1 34 ? 77.323 13.078 85.394 1.00 19.44 ? 48 SER H HG 1 ATOM 556 N N . ASP A 1 35 ? 74.243 13.748 83.480 1.00 16.01 ? 49 ASP H N 1 ATOM 557 C CA . ASP A 1 35 ? 74.026 13.590 82.048 1.00 16.82 ? 49 ASP H CA 1 ATOM 558 C C . ASP A 1 35 ? 75.074 12.702 81.374 1.00 16.81 ? 49 ASP H C 1 ATOM 559 O O . ASP A 1 35 ? 74.886 12.337 80.215 1.00 18.15 ? 49 ASP H O 1 ATOM 560 C CB . ASP A 1 35 ? 73.862 14.933 81.311 1.00 19.92 ? 49 ASP H CB 1 ATOM 561 C CG . ASP A 1 35 ? 75.114 15.760 81.290 1.00 23.51 ? 49 ASP H CG 1 ATOM 562 O OD1 . ASP A 1 35 ? 76.146 15.402 81.877 1.00 24.37 ? 49 ASP H OD1 1 ATOM 563 O OD2 . ASP A 1 35 ? 75.054 16.834 80.669 1.00 27.43 ? 49 ASP H OD2 1 ATOM 564 H H . ASP A 1 35 ? 74.511 14.527 83.727 1.00 19.21 ? 49 ASP H H 1 ATOM 565 H HA . ASP A 1 35 ? 73.180 13.126 81.943 1.00 20.19 ? 49 ASP H HA 1 ATOM 566 H HB2 . ASP A 1 35 ? 73.605 14.758 80.392 1.00 23.90 ? 49 ASP H HB2 1 ATOM 567 H HB3 . ASP A 1 35 ? 73.170 15.451 81.753 1.00 23.90 ? 49 ASP H HB3 1 ATOM 568 N N . ARG A 1 36 ? 76.143 12.339 82.082 1.00 16.15 ? 50 ARG H N 1 ATOM 569 C CA . ARG A 1 36 ? 77.233 11.586 81.475 1.00 17.07 ? 50 ARG H CA 1 ATOM 570 C C . ARG A 1 36 ? 77.678 10.361 82.271 1.00 14.76 ? 50 ARG H C 1 ATOM 571 O O . ARG A 1 36 ? 78.558 9.639 81.823 1.00 15.39 ? 50 ARG H O 1 ATOM 572 C CB . ARG A 1 36 ? 78.461 12.491 81.251 1.00 20.42 ? 50 ARG H CB 1 ATOM 573 H H . ARG A 1 36 ? 76.259 12.517 82.915 1.00 19.38 ? 50 ARG H H 1 ATOM 574 H HA . ARG A 1 36 ? 76.940 11.274 80.605 1.00 20.48 ? 50 ARG H HA 1 ATOM 575 N N . TRP A 1 37 ? 77.105 10.133 83.450 1.00 13.28 ? 51 TRP H N 1 ATOM 576 C CA . TRP A 1 37 ? 77.559 9.063 84.338 1.00 12.47 ? 51 TRP H CA 1 ATOM 577 C C . TRP A 1 37 ? 76.430 8.141 84.735 1.00 11.08 ? 51 TRP H C 1 ATOM 578 O O . TRP A 1 37 ? 75.343 8.586 85.139 1.00 11.39 ? 51 TRP H O 1 ATOM 579 C CB . TRP A 1 37 ? 78.202 9.660 85.597 1.00 12.86 ? 51 TRP H CB 1 ATOM 580 C CG . TRP A 1 37 ? 79.541 10.301 85.332 1.00 14.44 ? 51 TRP H CG 1 ATOM 581 C CD1 . TRP A 1 37 ? 79.792 11.622 85.123 1.00 16.61 ? 51 TRP H CD1 1 ATOM 582 C CD2 . TRP A 1 37 ? 80.804 9.632 85.232 1.00 14.72 ? 51 TRP H CD2 1 ATOM 583 N NE1 . TRP A 1 37 ? 81.132 11.815 84.903 1.00 18.04 ? 51 TRP H NE1 1 ATOM 584 C CE2 . TRP A 1 37 ? 81.777 10.609 84.990 1.00 16.30 ? 51 TRP H CE2 1 ATOM 585 C CE3 . TRP A 1 37 ? 81.209 8.301 85.359 1.00 15.09 ? 51 TRP H CE3 1 ATOM 586 C CZ2 . TRP A 1 37 ? 83.131 10.296 84.853 1.00 16.90 ? 51 TRP H CZ2 1 ATOM 587 C CZ3 . TRP A 1 37 ? 82.538 8.001 85.233 1.00 15.87 ? 51 TRP H CZ3 1 ATOM 588 C CH2 . TRP A 1 37 ? 83.484 8.985 84.979 1.00 17.19 ? 51 TRP H CH2 1 ATOM 589 H H . TRP A 1 37 ? 76.445 10.588 83.762 1.00 15.93 ? 51 TRP H H 1 ATOM 590 H HA . TRP A 1 37 ? 78.231 8.535 83.879 1.00 14.97 ? 51 TRP H HA 1 ATOM 591 H HB2 . TRP A 1 37 ? 77.612 10.340 85.959 1.00 15.44 ? 51 TRP H HB2 1 ATOM 592 H HB3 . TRP A 1 37 ? 78.332 8.954 86.249 1.00 15.44 ? 51 TRP H HB3 1 ATOM 593 H HD1 . TRP A 1 37 ? 79.148 12.292 85.115 1.00 19.93 ? 51 TRP H HD1 1 ATOM 594 H HE1 . TRP A 1 37 ? 81.510 12.574 84.761 1.00 21.65 ? 51 TRP H HE1 1 ATOM 595 H HE3 . TRP A 1 37 ? 80.588 7.633 85.541 1.00 18.11 ? 51 TRP H HE3 1 ATOM 596 H HZ2 . TRP A 1 37 ? 83.765 10.953 84.677 1.00 20.28 ? 51 TRP H HZ2 1 ATOM 597 H HZ3 . TRP A 1 37 ? 82.813 7.116 85.312 1.00 19.04 ? 51 TRP H HZ3 1 ATOM 598 H HH2 . TRP A 1 37 ? 84.378 8.744 84.888 1.00 20.63 ? 51 TRP H HH2 1 ATOM 599 N N . VAL A 1 38 ? 76.725 6.849 84.671 1.00 11.22 ? 52 VAL H N 1 ATOM 600 C CA . VAL A 1 38 ? 75.816 5.778 85.018 1.00 10.95 ? 52 VAL H CA 1 ATOM 601 C C . VAL A 1 38 ? 76.476 4.909 86.086 1.00 10.66 ? 52 VAL H C 1 ATOM 602 O O . VAL A 1 38 ? 77.650 4.541 85.975 1.00 11.83 ? 52 VAL H O 1 ATOM 603 C CB . VAL A 1 38 ? 75.447 4.959 83.754 1.00 11.51 ? 52 VAL H CB 1 ATOM 604 C CG1 . VAL A 1 38 ? 74.662 3.716 84.090 1.00 11.82 ? 52 VAL H CG1 1 ATOM 605 C CG2 . VAL A 1 38 ? 74.648 5.840 82.780 1.00 12.60 ? 52 VAL H CG2 1 ATOM 606 H H . VAL A 1 38 ? 77.492 6.559 84.414 1.00 13.46 ? 52 VAL H H 1 ATOM 607 H HA . VAL A 1 38 ? 75.001 6.153 85.388 1.00 13.15 ? 52 VAL H HA 1 ATOM 608 H HB . VAL A 1 38 ? 76.263 4.684 83.308 1.00 13.81 ? 52 VAL H HB 1 ATOM 609 H HG11 . VAL A 1 38 ? 73.841 3.973 84.538 1.00 14.19 ? 52 VAL H HG11 1 ATOM 610 H HG12 . VAL A 1 38 ? 74.457 3.241 83.269 1.00 14.19 ? 52 VAL H HG12 1 ATOM 611 H HG13 . VAL A 1 38 ? 75.195 3.154 84.673 1.00 14.19 ? 52 VAL H HG13 1 ATOM 612 H HG21 . VAL A 1 38 ? 75.192 6.602 82.526 1.00 15.12 ? 52 VAL H HG21 1 ATOM 613 H HG22 . VAL A 1 38 ? 74.423 5.318 81.994 1.00 15.12 ? 52 VAL H HG22 1 ATOM 614 H HG23 . VAL A 1 38 ? 73.839 6.143 83.219 1.00 15.12 ? 52 VAL H HG23 1 ATOM 615 N N . LEU A 1 39 ? 75.712 4.572 87.121 1.00 9.31 ? 53 LEU H N 1 ATOM 616 C CA . LEU A 1 39 ? 76.157 3.760 88.244 1.00 9.34 ? 53 LEU H CA 1 ATOM 617 C C . LEU A 1 39 ? 75.580 2.356 88.111 1.00 8.66 ? 53 LEU H C 1 ATOM 618 O O . LEU A 1 39 ? 74.411 2.182 87.785 1.00 9.23 ? 53 LEU H O 1 ATOM 619 C CB . LEU A 1 39 ? 75.617 4.442 89.517 1.00 9.71 ? 53 LEU H CB 1 ATOM 620 C CG . LEU A 1 39 ? 76.026 3.862 90.858 1.00 10.50 ? 53 LEU H CG 1 ATOM 621 C CD1 . LEU A 1 39 ? 77.523 3.928 91.069 1.00 11.55 ? 53 LEU H CD1 1 ATOM 622 C CD2 . LEU A 1 39 ? 75.301 4.593 91.977 1.00 11.21 ? 53 LEU H CD2 1 ATOM 623 H H . LEU A 1 39 ? 74.891 4.818 87.196 1.00 11.18 ? 53 LEU H H 1 ATOM 624 H HA . LEU A 1 39 ? 77.126 3.718 88.277 1.00 11.21 ? 53 LEU H HA 1 ATOM 625 H HB2 . LEU A 1 39 ? 75.910 5.367 89.508 1.00 11.65 ? 53 LEU H HB2 1 ATOM 626 H HB3 . LEU A 1 39 ? 74.648 4.416 89.482 1.00 11.65 ? 53 LEU H HB3 1 ATOM 627 H HG . LEU A 1 39 ? 75.761 2.930 90.891 1.00 12.61 ? 53 LEU H HG 1 ATOM 628 H HD11 . LEU A 1 39 ? 77.806 4.855 91.036 1.00 13.86 ? 53 LEU H HD11 1 ATOM 629 H HD12 . LEU A 1 39 ? 77.736 3.548 91.936 1.00 13.86 ? 53 LEU H HD12 1 ATOM 630 H HD13 . LEU A 1 39 ? 77.963 3.422 90.368 1.00 13.86 ? 53 LEU H HD13 1 ATOM 631 H HD21 . LEU A 1 39 ? 74.345 4.486 91.855 1.00 13.45 ? 53 LEU H HD21 1 ATOM 632 H HD22 . LEU A 1 39 ? 75.571 4.213 92.828 1.00 13.45 ? 53 LEU H HD22 1 ATOM 633 H HD23 . LEU A 1 39 ? 75.537 5.533 91.944 1.00 13.45 ? 53 LEU H HD23 1 ATOM 634 N N . THR A 1 40 ? 76.388 1.335 88.420 1.00 8.71 ? 54 THR H N 1 ATOM 635 C CA . THR A 1 40 ? 75.917 -0.036 88.414 1.00 8.99 ? 54 THR H CA 1 ATOM 636 C C . THR A 1 40 ? 76.744 -0.855 89.404 1.00 9.10 ? 54 THR H C 1 ATOM 637 O O . THR A 1 40 ? 77.556 -0.309 90.158 1.00 9.18 ? 54 THR H O 1 ATOM 638 C CB . THR A 1 40 ? 75.984 -0.646 86.963 1.00 9.64 ? 54 THR H CB 1 ATOM 639 O OG1 . THR A 1 40 ? 75.279 -1.883 86.885 1.00 10.22 ? 54 THR H OG1 1 ATOM 640 C CG2 . THR A 1 40 ? 77.413 -0.841 86.469 1.00 10.73 ? 54 THR H CG2 1 ATOM 641 H H . THR A 1 40 ? 77.216 1.421 88.635 1.00 10.45 ? 54 THR H H 1 ATOM 642 H HA . THR A 1 40 ? 74.993 -0.054 88.707 1.00 10.79 ? 54 THR H HA 1 ATOM 643 H HB . THR A 1 40 ? 75.558 -0.020 86.356 1.00 11.56 ? 54 THR H HB 1 ATOM 644 H HG1 . THR A 1 40 ? 74.471 -1.766 87.085 1.00 12.26 ? 54 THR H HG1 1 ATOM 645 H HG21 . THR A 1 40 ? 77.889 -1.445 87.061 1.00 12.88 ? 54 THR H HG21 1 ATOM 646 H HG22 . THR A 1 40 ? 77.406 -1.217 85.575 1.00 12.88 ? 54 THR H HG22 1 ATOM 647 H HG23 . THR A 1 40 ? 77.876 0.011 86.449 1.00 12.88 ? 54 THR H HG23 1 ATOM 648 N N . ALA A 1 41 ? 76.485 -2.158 89.430 1.00 9.00 ? 55 ALA H N 1 ATOM 649 C CA . ALA A 1 41 ? 77.270 -3.096 90.252 1.00 9.10 ? 55 ALA H CA 1 ATOM 650 C C . ALA A 1 41 ? 78.498 -3.536 89.470 1.00 9.88 ? 55 ALA H C 1 ATOM 651 O O . ALA A 1 41 ? 78.406 -3.851 88.282 1.00 10.68 ? 55 ALA H O 1 ATOM 652 C CB . ALA A 1 41 ? 76.421 -4.308 90.608 1.00 9.61 ? 55 ALA H CB 1 ATOM 653 H H . ALA A 1 41 ? 75.857 -2.533 88.979 1.00 10.80 ? 55 ALA H H 1 ATOM 654 H HA . ALA A 1 41 ? 77.556 -2.661 91.070 1.00 10.92 ? 55 ALA H HA 1 ATOM 655 H HB1 . ALA A 1 41 ? 76.142 -4.749 89.790 1.00 11.53 ? 55 ALA H HB1 1 ATOM 656 H HB2 . ALA A 1 41 ? 76.950 -4.916 91.148 1.00 11.53 ? 55 ALA H HB2 1 ATOM 657 H HB3 . ALA A 1 41 ? 75.643 -4.013 91.107 1.00 11.53 ? 55 ALA H HB3 1 ATOM 658 N N . ALA A 1 42 ? 79.644 -3.600 90.151 1.00 9.49 ? 56 ALA H N 1 ATOM 659 C CA . ALA A 1 42 ? 80.838 -4.155 89.515 1.00 10.31 ? 56 ALA H CA 1 ATOM 660 C C . ALA A 1 42 ? 80.618 -5.555 88.943 1.00 10.09 ? 56 ALA H C 1 ATOM 661 O O . ALA A 1 42 ? 81.134 -5.858 87.864 1.00 10.67 ? 56 ALA H O 1 ATOM 662 C CB . ALA A 1 42 ? 81.984 -4.174 90.490 1.00 10.55 ? 56 ALA H CB 1 ATOM 663 H H . ALA A 1 42 ? 79.755 -3.337 90.962 1.00 11.39 ? 56 ALA H H 1 ATOM 664 H HA . ALA A 1 42 ? 81.090 -3.576 88.779 1.00 12.37 ? 56 ALA H HA 1 ATOM 665 H HB1 . ALA A 1 42 ? 81.741 -4.722 91.252 1.00 12.66 ? 56 ALA H HB1 1 ATOM 666 H HB2 . ALA A 1 42 ? 82.766 -4.544 90.051 1.00 12.66 ? 56 ALA H HB2 1 ATOM 667 H HB3 . ALA A 1 42 ? 82.166 -3.266 90.780 1.00 12.66 ? 56 ALA H HB3 1 ATOM 668 N N . HIS A 1 43 ? 79.856 -6.407 89.630 1.00 9.53 ? 57 HIS H N 1 ATOM 669 C CA . HIS A 1 43 ? 79.712 -7.788 89.158 1.00 10.42 ? 57 HIS H CA 1 ATOM 670 C C . HIS A 1 43 ? 78.918 -7.890 87.863 1.00 10.96 ? 57 HIS H C 1 ATOM 671 O O . HIS A 1 43 ? 78.965 -8.932 87.206 1.00 12.09 ? 57 HIS H O 1 ATOM 672 C CB . HIS A 1 43 ? 79.117 -8.694 90.251 1.00 11.25 ? 57 HIS H CB 1 ATOM 673 C CG . HIS A 1 43 ? 77.623 -8.650 90.311 1.00 10.63 ? 57 HIS H CG 1 ATOM 674 N ND1 . HIS A 1 43 ? 76.932 -7.823 91.174 1.00 10.48 ? 57 HIS H ND1 1 ATOM 675 C CD2 . HIS A 1 43 ? 76.683 -9.315 89.594 1.00 11.94 ? 57 HIS H CD2 1 ATOM 676 C CE1 . HIS A 1 43 ? 75.633 -7.983 90.983 1.00 11.06 ? 57 HIS H CE1 1 ATOM 677 N NE2 . HIS A 1 43 ? 75.456 -8.886 90.032 1.00 11.96 ? 57 HIS H NE2 1 ATOM 678 H H . HIS A 1 43 ? 79.424 -6.220 90.350 1.00 11.44 ? 57 HIS H H 1 ATOM 679 H HA . HIS A 1 43 ? 80.600 -8.128 88.967 1.00 12.50 ? 57 HIS H HA 1 ATOM 680 H HB2 . HIS A 1 43 ? 79.381 -9.611 90.076 1.00 13.51 ? 57 HIS H HB2 1 ATOM 681 H HB3 . HIS A 1 43 ? 79.458 -8.410 91.113 1.00 13.51 ? 57 HIS H HB3 1 ATOM 682 H HD1 . HIS A 1 43 ? 77.290 -7.283 91.740 1.00 12.58 ? 57 HIS H HD1 1 ATOM 683 H HD2 . HIS A 1 43 ? 76.841 -9.945 88.927 1.00 14.33 ? 57 HIS H HD2 1 ATOM 684 H HE1 . HIS A 1 43 ? 74.958 -7.544 91.448 1.00 13.27 ? 57 HIS H HE1 1 ATOM 685 N N . CYS A 1 44 ? 78.225 -6.816 87.465 1.00 10.83 ? 58 CYS H N 1 ATOM 686 C CA . CYS A 1 44 ? 77.602 -6.761 86.157 1.00 11.49 ? 58 CYS H CA 1 ATOM 687 C C . CYS A 1 44 ? 78.602 -6.707 85.026 1.00 12.55 ? 58 CYS H C 1 ATOM 688 O O . CYS A 1 44 ? 78.261 -7.064 83.884 1.00 14.03 ? 58 CYS H O 1 ATOM 689 C CB . CYS A 1 44 ? 76.660 -5.558 86.046 1.00 11.86 ? 58 CYS H CB 1 ATOM 690 S SG . CYS A 1 44 ? 75.169 -5.712 87.065 1.00 13.00 ? 58 CYS H SG 1 ATOM 691 H H . CYS A 1 44 ? 78.105 -6.110 87.941 1.00 13.00 ? 58 CYS H H 1 ATOM 692 H HA . CYS A 1 44 ? 77.069 -7.563 86.036 1.00 13.79 ? 58 CYS H HA 1 ATOM 693 H HB2 . CYS A 1 44 ? 77.134 -4.761 86.330 1.00 14.23 ? 58 CYS H HB2 1 ATOM 694 H HB3 . CYS A 1 44 ? 76.381 -5.462 85.122 1.00 14.23 ? 58 CYS H HB3 1 ATOM 695 N N . LEU A 1 45 ? 79.793 -6.214 85.311 1.00 12.69 ? 59 LEU H N 1 ATOM 696 C CA . LEU A 1 45 ? 80.823 -5.979 84.305 1.00 13.48 ? 59 LEU H CA 1 ATOM 697 C C . LEU A 1 45 ? 81.999 -6.939 84.452 1.00 13.98 ? 59 LEU H C 1 ATOM 698 O O . LEU A 1 45 ? 82.617 -7.288 83.462 1.00 16.53 ? 59 LEU H O 1 ATOM 699 C CB . LEU A 1 45 ? 81.318 -4.543 84.418 1.00 14.24 ? 59 LEU H CB 1 ATOM 700 C CG . LEU A 1 45 ? 80.215 -3.507 84.203 1.00 15.35 ? 59 LEU H CG 1 ATOM 701 C CD1 . LEU A 1 45 ? 80.731 -2.132 84.537 1.00 16.46 ? 59 LEU H CD1 1 ATOM 702 C CD2 . LEU A 1 45 ? 79.675 -3.570 82.767 1.00 18.08 ? 59 LEU H CD2 1 ATOM 703 H H . LEU A 1 45 ? 80.041 -6.000 86.106 1.00 15.22 ? 59 LEU H H 1 ATOM 704 H HA . LEU A 1 45 ? 80.440 -6.100 83.421 1.00 16.18 ? 59 LEU H HA 1 ATOM 705 H HB2 . LEU A 1 45 ? 81.686 -4.407 85.305 1.00 17.08 ? 59 LEU H HB2 1 ATOM 706 H HB3 . LEU A 1 45 ? 82.003 -4.393 83.749 1.00 17.08 ? 59 LEU H HB3 1 ATOM 707 H HG . LEU A 1 45 ? 79.480 -3.703 84.805 1.00 18.42 ? 59 LEU H HG 1 ATOM 708 H HD11 . LEU A 1 45 ? 81.483 -1.929 83.960 1.00 19.76 ? 59 LEU H HD11 1 ATOM 709 H HD12 . LEU A 1 45 ? 80.021 -1.486 84.396 1.00 19.76 ? 59 LEU H HD12 1 ATOM 710 H HD13 . LEU A 1 45 ? 81.012 -2.118 85.466 1.00 19.76 ? 59 LEU H HD13 1 ATOM 711 H HD21 . LEU A 1 45 ? 79.312 -4.455 82.605 1.00 21.70 ? 59 LEU H HD21 1 ATOM 712 H HD22 . LEU A 1 45 ? 78.978 -2.902 82.663 1.00 21.70 ? 59 LEU H HD22 1 ATOM 713 H HD23 . LEU A 1 45 ? 80.400 -3.391 82.149 1.00 21.70 ? 59 LEU H HD23 1 ATOM 714 N N . LEU A 1 46 ? 82.323 -7.337 85.687 1.00 13.13 ? 60 LEU H N 1 ATOM 715 C CA . LEU A 1 46 ? 83.495 -8.150 85.973 1.00 12.90 ? 60 LEU H CA 1 ATOM 716 C C . LEU A 1 46 ? 83.164 -9.208 86.995 1.00 12.24 ? 60 LEU H C 1 ATOM 717 O O . LEU A 1 46 ? 82.870 -8.889 88.157 1.00 12.78 ? 60 LEU H O 1 ATOM 718 C CB . LEU A 1 46 ? 84.604 -7.246 86.494 1.00 13.92 ? 60 LEU H CB 1 ATOM 719 C CG . LEU A 1 46 ? 85.893 -7.941 86.937 1.00 14.49 ? 60 LEU H CG 1 ATOM 720 C CD1 . LEU A 1 46 ? 86.569 -8.612 85.760 1.00 16.37 ? 60 LEU H CD1 1 ATOM 721 C CD2 . LEU A 1 46 ? 86.831 -6.951 87.609 1.00 15.80 ? 60 LEU H CD2 1 ATOM 722 H H . LEU A 1 46 ? 81.864 -7.141 86.388 1.00 15.76 ? 60 LEU H H 1 ATOM 723 H HA . LEU A 1 46 ? 83.800 -8.584 85.162 1.00 15.48 ? 60 LEU H HA 1 ATOM 724 H HB2 . LEU A 1 46 ? 84.841 -6.620 85.792 1.00 16.70 ? 60 LEU H HB2 1 ATOM 725 H HB3 . LEU A 1 46 ? 84.264 -6.756 87.259 1.00 16.70 ? 60 LEU H HB3 1 ATOM 726 H HG . LEU A 1 46 ? 85.672 -8.628 87.585 1.00 17.39 ? 60 LEU H HG 1 ATOM 727 H HD11 . LEU A 1 46 ? 86.782 -7.940 85.093 1.00 19.64 ? 60 LEU H HD11 1 ATOM 728 H HD12 . LEU A 1 46 ? 87.381 -9.044 86.067 1.00 19.64 ? 60 LEU H HD12 1 ATOM 729 H HD13 . LEU A 1 46 ? 85.965 -9.271 85.383 1.00 19.64 ? 60 LEU H HD13 1 ATOM 730 H HD21 . LEU A 1 46 ? 86.388 -6.575 88.386 1.00 18.96 ? 60 LEU H HD21 1 ATOM 731 H HD22 . LEU A 1 46 ? 87.638 -7.415 87.880 1.00 18.96 ? 60 LEU H HD22 1 ATOM 732 H HD23 . LEU A 1 46 ? 87.049 -6.246 86.980 1.00 18.96 ? 60 LEU H HD23 1 ATOM 733 N N . TYR A 1 47 A 83.183 -10.464 86.569 1.00 12.20 ? 60 TYR H N 1 ATOM 734 C CA . TYR A 1 47 A 82.973 -11.569 87.481 1.00 12.31 ? 60 TYR H CA 1 ATOM 735 C C . TYR A 1 47 A 83.721 -12.781 86.919 1.00 12.34 ? 60 TYR H C 1 ATOM 736 O O . TYR A 1 47 A 83.161 -13.634 86.232 1.00 12.49 ? 60 TYR H O 1 ATOM 737 C CB . TYR A 1 47 A 81.474 -11.839 87.721 1.00 12.22 ? 60 TYR H CB 1 ATOM 738 C CG . TYR A 1 47 A 81.289 -12.744 88.903 1.00 12.23 ? 60 TYR H CG 1 ATOM 739 C CD1 . TYR A 1 47 A 81.752 -12.361 90.153 1.00 12.76 ? 60 TYR H CD1 1 ATOM 740 C CD2 . TYR A 1 47 A 80.714 -14.011 88.775 1.00 13.72 ? 60 TYR H CD2 1 ATOM 741 C CE1 . TYR A 1 47 A 81.651 -13.209 91.246 1.00 13.29 ? 60 TYR H CE1 1 ATOM 742 C CE2 . TYR A 1 47 A 80.593 -14.850 89.869 1.00 14.63 ? 60 TYR H CE2 1 ATOM 743 C CZ . TYR A 1 47 A 81.062 -14.448 91.101 1.00 14.53 ? 60 TYR H CZ 1 ATOM 744 O OH . TYR A 1 47 A 80.954 -15.323 92.161 1.00 16.58 ? 60 TYR H OH 1 ATOM 745 H H . TYR A 1 47 A 83.316 -10.700 85.753 1.00 14.64 ? 60 TYR H H 1 ATOM 746 H HA . TYR A 1 47 A 83.372 -11.346 88.337 1.00 14.78 ? 60 TYR H HA 1 ATOM 747 H HB2 . TYR A 1 47 A 81.019 -11.002 87.901 1.00 14.67 ? 60 TYR H HB2 1 ATOM 748 H HB3 . TYR A 1 47 A 81.094 -12.272 86.941 1.00 14.67 ? 60 TYR H HB3 1 ATOM 749 H HD1 . TYR A 1 47 A 82.159 -11.531 90.255 1.00 15.32 ? 60 TYR H HD1 1 ATOM 750 H HD2 . TYR A 1 47 A 80.403 -14.292 87.945 1.00 16.46 ? 60 TYR H HD2 1 ATOM 751 H HE1 . TYR A 1 47 A 81.964 -12.936 92.078 1.00 15.94 ? 60 TYR H HE1 1 ATOM 752 H HE2 . TYR A 1 47 A 80.209 -15.691 89.769 1.00 17.55 ? 60 TYR H HE2 1 ATOM 753 H HH . TYR A 1 47 A 81.288 -14.981 92.851 1.00 19.89 ? 60 TYR H HH 1 ATOM 754 N N . PRO A 1 48 B 85.032 -12.880 87.232 1.00 13.13 ? 60 PRO H N 1 ATOM 755 C CA . PRO A 1 48 B 85.864 -13.955 86.673 1.00 14.37 ? 60 PRO H CA 1 ATOM 756 C C . PRO A 1 48 B 85.373 -15.378 86.914 1.00 14.47 ? 60 PRO H C 1 ATOM 757 O O . PRO A 1 48 B 85.608 -16.219 86.045 1.00 15.20 ? 60 PRO H O 1 ATOM 758 C CB . PRO A 1 48 B 87.241 -13.705 87.293 1.00 15.78 ? 60 PRO H CB 1 ATOM 759 C CG . PRO A 1 48 B 87.264 -12.230 87.459 1.00 15.90 ? 60 PRO H CG 1 ATOM 760 C CD . PRO A 1 48 B 85.859 -11.860 87.897 1.00 14.35 ? 60 PRO H CD 1 ATOM 761 H HA . PRO A 1 48 B 85.941 -13.826 85.715 1.00 17.25 ? 60 PRO H HA 1 ATOM 762 H HB2 . PRO A 1 48 B 87.307 -14.155 88.150 1.00 18.93 ? 60 PRO H HB2 1 ATOM 763 H HB3 . PRO A 1 48 B 87.938 -14.000 86.687 1.00 18.93 ? 60 PRO H HB3 1 ATOM 764 H HG2 . PRO A 1 48 B 87.910 -11.987 88.141 1.00 19.07 ? 60 PRO H HG2 1 ATOM 765 H HG3 . PRO A 1 48 B 87.482 -11.809 86.613 1.00 19.07 ? 60 PRO H HG3 1 ATOM 766 H HD2 . PRO A 1 48 B 85.774 -11.929 88.861 1.00 17.22 ? 60 PRO H HD2 1 ATOM 767 H HD3 . PRO A 1 48 B 85.627 -10.974 87.579 1.00 17.22 ? 60 PRO H HD3 1 ATOM 768 N N . PRO A 1 49 C 84.724 -15.681 88.035 1.00 14.41 ? 60 PRO H N 1 ATOM 769 C CA . PRO A 1 49 C 84.269 -17.068 88.210 1.00 17.10 ? 60 PRO H CA 1 ATOM 770 C C . PRO A 1 49 C 83.321 -17.529 87.111 1.00 18.23 ? 60 PRO H C 1 ATOM 771 O O . PRO A 1 49 C 83.227 -18.737 86.880 1.00 20.89 ? 60 PRO H O 1 ATOM 772 C CB . PRO A 1 49 C 83.549 -17.029 89.565 1.00 17.07 ? 60 PRO H CB 1 ATOM 773 C CG . PRO A 1 49 C 84.226 -15.908 90.303 1.00 16.32 ? 60 PRO H CG 1 ATOM 774 C CD . PRO A 1 49 C 84.491 -14.876 89.254 1.00 14.97 ? 60 PRO H CD 1 ATOM 775 H HA . PRO A 1 49 C 85.027 -17.672 88.262 1.00 20.52 ? 60 PRO H HA 1 ATOM 776 H HB2 . PRO A 1 49 C 82.607 -16.838 89.432 1.00 20.48 ? 60 PRO H HB2 1 ATOM 777 H HB3 . PRO A 1 49 C 83.671 -17.873 90.028 1.00 20.48 ? 60 PRO H HB3 1 ATOM 778 H HG2 . PRO A 1 49 C 83.634 -15.560 90.988 1.00 19.59 ? 60 PRO H HG2 1 ATOM 779 H HG3 . PRO A 1 49 C 85.057 -16.225 90.692 1.00 19.59 ? 60 PRO H HG3 1 ATOM 780 H HD2 . PRO A 1 49 C 83.716 -14.304 89.139 1.00 17.96 ? 60 PRO H HD2 1 ATOM 781 H HD3 . PRO A 1 49 C 85.283 -14.362 89.477 1.00 17.96 ? 60 PRO H HD3 1 ATOM 782 N N . TRP A 1 50 D 82.644 -16.577 86.450 1.00 16.95 ? 60 TRP H N 1 ATOM 783 C CA . TRP A 1 50 D 81.725 -16.877 85.358 1.00 18.26 ? 60 TRP H CA 1 ATOM 784 C C . TRP A 1 50 D 82.276 -16.402 84.020 1.00 18.40 ? 60 TRP H C 1 ATOM 785 O O . TRP A 1 50 D 81.523 -16.258 83.056 1.00 19.76 ? 60 TRP H O 1 ATOM 786 C CB . TRP A 1 50 D 80.392 -16.181 85.615 1.00 20.37 ? 60 TRP H CB 1 ATOM 787 C CG . TRP A 1 50 D 79.574 -16.757 86.720 1.00 24.52 ? 60 TRP H CG 1 ATOM 788 C CD1 . TRP A 1 50 D 79.926 -17.754 87.586 1.00 26.69 ? 60 TRP H CD1 1 ATOM 789 C CD2 . TRP A 1 50 D 78.245 -16.364 87.075 1.00 27.10 ? 60 TRP H CD2 1 ATOM 790 N NE1 . TRP A 1 50 D 78.893 -17.998 88.466 1.00 27.56 ? 60 TRP H NE1 1 ATOM 791 C CE2 . TRP A 1 50 D 77.850 -17.160 88.168 1.00 28.15 ? 60 TRP H CE2 1 ATOM 792 C CE3 . TRP A 1 50 D 77.350 -15.411 86.573 1.00 28.89 ? 60 TRP H CE3 1 ATOM 793 C CZ2 . TRP A 1 50 D 76.603 -17.031 88.766 1.00 29.92 ? 60 TRP H CZ2 1 ATOM 794 C CZ3 . TRP A 1 50 D 76.113 -15.285 87.172 1.00 30.20 ? 60 TRP H CZ3 1 ATOM 795 C CH2 . TRP A 1 50 D 75.749 -16.095 88.250 1.00 30.66 ? 60 TRP H CH2 1 ATOM 796 H H . TRP A 1 50 D 82.707 -15.737 86.625 1.00 20.34 ? 60 TRP H H 1 ATOM 797 H HA . TRP A 1 50 D 81.573 -17.834 85.311 1.00 21.91 ? 60 TRP H HA 1 ATOM 798 H HB2 . TRP A 1 50 D 80.568 -15.253 85.836 1.00 24.44 ? 60 TRP H HB2 1 ATOM 799 H HB3 . TRP A 1 50 D 79.860 -16.226 84.805 1.00 24.44 ? 60 TRP H HB3 1 ATOM 800 H HD1 . TRP A 1 50 D 80.744 -18.197 87.586 1.00 32.03 ? 60 TRP H HD1 1 ATOM 801 H HE1 . TRP A 1 50 D 78.899 -18.586 89.094 1.00 33.07 ? 60 TRP H HE1 1 ATOM 802 H HE3 . TRP A 1 50 D 77.586 -14.872 85.853 1.00 34.67 ? 60 TRP H HE3 1 ATOM 803 H HZ2 . TRP A 1 50 D 76.356 -17.565 89.487 1.00 35.90 ? 60 TRP H HZ2 1 ATOM 804 H HZ3 . TRP A 1 50 D 75.508 -14.658 86.846 1.00 36.24 ? 60 TRP H HZ3 1 ATOM 805 H HH2 . TRP A 1 50 D 74.909 -15.988 88.635 1.00 36.80 ? 60 TRP H HH2 1 ATOM 806 N N . ASP A 1 51 E 83.579 -16.152 83.942 1.00 17.11 ? 60 ASP H N 1 ATOM 807 C CA . ASP A 1 51 E 84.231 -15.714 82.706 1.00 18.08 ? 60 ASP H CA 1 ATOM 808 C C . ASP A 1 51 E 83.606 -14.420 82.165 1.00 17.57 ? 60 ASP H C 1 ATOM 809 O O . ASP A 1 51 E 83.544 -14.200 80.960 1.00 20.28 ? 60 ASP H O 1 ATOM 810 C CB . ASP A 1 51 E 84.198 -16.827 81.641 1.00 21.40 ? 60 ASP H CB 1 ATOM 811 C CG . ASP A 1 51 E 84.951 -18.052 82.073 1.00 26.20 ? 60 ASP H CG 1 ATOM 812 O OD1 . ASP A 1 51 E 86.024 -17.889 82.655 1.00 27.98 ? 60 ASP H OD1 1 ATOM 813 O OD2 . ASP A 1 51 E 84.491 -19.172 81.779 1.00 31.51 ? 60 ASP H OD2 1 ATOM 814 H H . ASP A 1 51 E 84.121 -16.230 84.605 1.00 20.54 ? 60 ASP H H 1 ATOM 815 H HA . ASP A 1 51 E 85.162 -15.527 82.901 1.00 21.69 ? 60 ASP H HA 1 ATOM 816 H HB2 . ASP A 1 51 E 83.276 -17.081 81.476 1.00 25.68 ? 60 ASP H HB2 1 ATOM 817 H HB3 . ASP A 1 51 E 84.603 -16.496 80.824 1.00 25.68 ? 60 ASP H HB3 1 ATOM 818 N N . LYS A 1 52 F 83.200 -13.546 83.070 1.00 15.87 ? 60 LYS H N 1 ATOM 819 C CA . LYS A 1 52 F 82.606 -12.267 82.698 1.00 15.39 ? 60 LYS H CA 1 ATOM 820 C C . LYS A 1 52 F 83.628 -11.151 82.875 1.00 15.14 ? 60 LYS H C 1 ATOM 821 O O . LYS A 1 52 F 84.138 -10.914 83.983 1.00 15.22 ? 60 LYS H O 1 ATOM 822 C CB . LYS A 1 52 F 81.373 -12.005 83.549 1.00 15.54 ? 60 LYS H CB 1 ATOM 823 C CG . LYS A 1 52 F 80.682 -10.714 83.179 1.00 17.38 ? 60 LYS H CG 1 ATOM 824 C CD . LYS A 1 52 F 79.474 -10.423 84.079 1.00 20.18 ? 60 LYS H CD 1 ATOM 825 C CE . LYS A 1 52 F 78.349 -11.438 83.868 1.00 24.96 ? 60 LYS H CE 1 ATOM 826 N NZ . LYS A 1 52 F 77.160 -11.113 84.703 1.00 27.50 ? 60 LYS H NZ 1 ATOM 827 H H . LYS A 1 52 F 83.257 -13.668 83.919 1.00 19.05 ? 60 LYS H H 1 ATOM 828 H HA . LYS A 1 52 F 82.337 -12.294 81.766 1.00 18.47 ? 60 LYS H HA 1 ATOM 829 H HB2 . LYS A 1 52 F 80.742 -12.731 83.426 1.00 18.65 ? 60 LYS H HB2 1 ATOM 830 H HB3 . LYS A 1 52 F 81.637 -11.948 84.481 1.00 18.65 ? 60 LYS H HB3 1 ATOM 831 H HG2 . LYS A 1 52 F 81.309 -9.980 83.270 1.00 20.85 ? 60 LYS H HG2 1 ATOM 832 H HG3 . LYS A 1 52 F 80.368 -10.773 82.263 1.00 20.85 ? 60 LYS H HG3 1 ATOM 833 H HD2 . LYS A 1 52 F 79.750 -10.466 85.007 1.00 24.22 ? 60 LYS H HD2 1 ATOM 834 H HD3 . LYS A 1 52 F 79.127 -9.540 83.873 1.00 24.22 ? 60 LYS H HD3 1 ATOM 835 H HE2 . LYS A 1 52 F 78.079 -11.428 82.936 1.00 29.95 ? 60 LYS H HE2 1 ATOM 836 H HE3 . LYS A 1 52 F 78.664 -12.321 84.117 1.00 29.95 ? 60 LYS H HE3 1 ATOM 837 H HZ1 . LYS A 1 52 F 76.851 -10.306 84.490 1.00 33.00 ? 60 LYS H HZ1 1 ATOM 838 H HZ2 . LYS A 1 52 F 76.519 -11.714 84.566 1.00 33.00 ? 60 LYS H HZ2 1 ATOM 839 H HZ3 . LYS A 1 52 F 77.383 -11.119 85.564 1.00 33.00 ? 60 LYS H HZ3 1 ATOM 840 N N . ASN A 1 53 G 83.924 -10.458 81.783 1.00 17.15 ? 60 ASN H N 1 ATOM 841 C CA . ASN A 1 53 G 84.804 -9.307 81.842 1.00 18.26 ? 60 ASN H CA 1 ATOM 842 C C . ASN A 1 53 G 84.527 -8.445 80.643 1.00 19.76 ? 60 ASN H C 1 ATOM 843 O O . ASN A 1 53 G 85.241 -8.487 79.633 1.00 22.58 ? 60 ASN H O 1 ATOM 844 C CB . ASN A 1 53 G 86.261 -9.739 81.947 1.00 21.66 ? 60 ASN H CB 1 ATOM 845 C CG . ASN A 1 53 G 87.208 -8.604 82.168 1.00 25.69 ? 60 ASN H CG 1 ATOM 846 O OD1 . ASN A 1 53 G 86.799 -7.438 82.200 1.00 25.35 ? 60 ASN H OD1 1 ATOM 847 N ND2 . ASN A 1 53 G 88.610 -8.892 82.368 1.00 31.18 ? 60 ASN H ND2 1 ATOM 848 N N . PHE A 1 54 H 83.463 -7.656 80.719 1.00 19.53 ? 60 PHE H N 1 ATOM 849 C CA . PHE A 1 54 H 83.031 -6.853 79.584 1.00 20.94 ? 60 PHE H CA 1 ATOM 850 C C . PHE A 1 54 H 83.916 -5.633 79.353 1.00 23.03 ? 60 PHE H C 1 ATOM 851 O O . PHE A 1 54 H 84.393 -5.007 80.289 1.00 24.96 ? 60 PHE H O 1 ATOM 852 C CB . PHE A 1 54 H 81.579 -6.390 79.765 1.00 20.22 ? 60 PHE H CB 1 ATOM 853 C CG . PHE A 1 54 H 80.554 -7.488 79.624 1.00 20.19 ? 60 PHE H CG 1 ATOM 854 C CD1 . PHE A 1 54 H 80.349 -8.108 78.401 1.00 21.93 ? 60 PHE H CD1 1 ATOM 855 C CD2 . PHE A 1 54 H 79.769 -7.873 80.688 1.00 20.16 ? 60 PHE H CD2 1 ATOM 856 C CE1 . PHE A 1 54 H 79.395 -9.108 78.263 1.00 22.31 ? 60 PHE H CE1 1 ATOM 857 C CE2 . PHE A 1 54 H 78.827 -8.876 80.547 1.00 21.03 ? 60 PHE H CE2 1 ATOM 858 C CZ . PHE A 1 54 H 78.640 -9.487 79.338 1.00 22.58 ? 60 PHE H CZ 1 ATOM 859 H H . PHE A 1 54 H 82.972 -7.568 81.419 1.00 23.43 ? 60 PHE H H 1 ATOM 860 H HA . PHE A 1 54 H 83.068 -7.400 78.784 1.00 25.13 ? 60 PHE H HA 1 ATOM 861 H HB2 . PHE A 1 54 H 81.483 -6.009 80.652 1.00 24.27 ? 60 PHE H HB2 1 ATOM 862 H HB3 . PHE A 1 54 H 81.382 -5.715 79.097 1.00 24.27 ? 60 PHE H HB3 1 ATOM 863 H HD1 . PHE A 1 54 H 80.862 -7.856 77.667 1.00 26.32 ? 60 PHE H HD1 1 ATOM 864 H HD2 . PHE A 1 54 H 79.889 -7.468 81.516 1.00 24.19 ? 60 PHE H HD2 1 ATOM 865 H HE1 . PHE A 1 54 H 79.273 -9.524 77.440 1.00 26.78 ? 60 PHE H HE1 1 ATOM 866 H HE2 . PHE A 1 54 H 78.310 -9.130 81.278 1.00 25.24 ? 60 PHE H HE2 1 ATOM 867 H HZ . PHE A 1 54 H 78.002 -10.157 79.247 1.00 27.10 ? 60 PHE H HZ 1 ATOM 868 N N . THR A 1 55 I 84.128 -5.304 78.085 1.00 24.13 ? 60 THR H N 1 ATOM 869 C CA . THR A 1 55 I 84.807 -4.065 77.722 1.00 25.56 ? 60 THR H CA 1 ATOM 870 C C . THR A 1 55 I 83.756 -3.050 77.240 1.00 23.95 ? 60 THR H C 1 ATOM 871 O O . THR A 1 55 I 82.601 -3.403 77.004 1.00 24.07 ? 60 THR H O 1 ATOM 872 C CB . THR A 1 55 I 85.905 -4.313 76.656 1.00 28.20 ? 60 THR H CB 1 ATOM 873 O OG1 . THR A 1 55 I 86.727 -3.149 76.515 1.00 30.10 ? 60 THR H OG1 1 ATOM 874 C CG2 . THR A 1 55 I 85.310 -4.670 75.313 1.00 29.95 ? 60 THR H CG2 1 ATOM 875 H H . THR A 1 55 I 83.888 -5.783 77.413 1.00 28.96 ? 60 THR H H 1 ATOM 876 H HA . THR A 1 55 I 85.236 -3.698 78.511 1.00 30.68 ? 60 THR H HA 1 ATOM 877 H HB . THR A 1 55 I 86.459 -5.056 76.943 1.00 33.84 ? 60 THR H HB 1 ATOM 878 H HG1 . THR A 1 55 I 87.321 -3.285 75.937 1.00 36.12 ? 60 THR H HG1 1 ATOM 879 H HG21 . THR A 1 55 I 84.744 -3.948 74.999 1.00 35.94 ? 60 THR H HG21 1 ATOM 880 H HG22 . THR A 1 55 I 86.017 -4.820 74.666 1.00 35.94 ? 60 THR H HG22 1 ATOM 881 H HG23 . THR A 1 55 I 84.777 -5.477 75.390 1.00 35.94 ? 60 THR H HG23 1 ATOM 882 N N . GLU A 1 56 ? 84.161 -1.793 77.101 1.00 22.50 ? 61 GLU H N 1 ATOM 883 C CA . GLU A 1 56 ? 83.233 -0.721 76.723 1.00 22.03 ? 61 GLU H CA 1 ATOM 884 C C . GLU A 1 56 ? 82.464 -1.031 75.450 1.00 23.12 ? 61 GLU H C 1 ATOM 885 O O . GLU A 1 56 ? 81.266 -0.772 75.368 1.00 24.55 ? 61 GLU H O 1 ATOM 886 C CB . GLU A 1 56 ? 83.982 0.601 76.528 1.00 22.87 ? 61 GLU H CB 1 ATOM 887 C CG . GLU A 1 56 ? 84.489 1.210 77.823 1.00 23.43 ? 61 GLU H CG 1 ATOM 888 C CD . GLU A 1 56 ? 85.755 0.548 78.367 1.00 23.82 ? 61 GLU H CD 1 ATOM 889 O OE1 . GLU A 1 56 ? 86.347 -0.325 77.693 1.00 25.27 ? 61 GLU H OE1 1 ATOM 890 O OE2 . GLU A 1 56 ? 86.180 0.924 79.476 1.00 24.13 ? 61 GLU H OE2 1 ATOM 891 H H . GLU A 1 56 ? 84.971 -1.528 77.220 1.00 27.01 ? 61 GLU H H 1 ATOM 892 H HA . GLU A 1 56 ? 82.589 -0.597 77.438 1.00 26.43 ? 61 GLU H HA 1 ATOM 893 H HB2 . GLU A 1 56 ? 84.748 0.444 75.953 1.00 27.45 ? 61 GLU H HB2 1 ATOM 894 H HB3 . GLU A 1 56 ? 83.384 1.241 76.112 1.00 27.45 ? 61 GLU H HB3 1 ATOM 895 H HG2 . GLU A 1 56 ? 84.688 2.147 77.670 1.00 28.11 ? 61 GLU H HG2 1 ATOM 896 H HG3 . GLU A 1 56 ? 83.798 1.127 78.498 1.00 28.11 ? 61 GLU H HG3 1 ATOM 897 N N . ASN A 1 57 ? 83.147 -1.605 74.468 1.00 24.25 ? 62 ASN H N 1 ATOM 898 C CA . ASN A 1 57 ? 82.536 -1.763 73.158 1.00 25.91 ? 62 ASN H CA 1 ATOM 899 C C . ASN A 1 57 ? 81.582 -2.954 73.122 1.00 26.10 ? 62 ASN H C 1 ATOM 900 O O . ASN A 1 57 ? 80.893 -3.163 72.124 1.00 27.30 ? 62 ASN H O 1 ATOM 901 C CB . ASN A 1 57 ? 83.602 -1.845 72.063 1.00 28.67 ? 62 ASN H CB 1 ATOM 902 C CG . ASN A 1 57 ? 84.260 -0.505 71.809 1.00 30.89 ? 62 ASN H CG 1 ATOM 903 H H . ASN A 1 57 ? 83.950 -1.906 74.532 1.00 29.10 ? 62 ASN H H 1 ATOM 904 H HA . ASN A 1 57 ? 82.005 -0.971 72.977 1.00 31.09 ? 62 ASN H HA 1 ATOM 905 H HB2 . ASN A 1 57 ? 84.290 -2.473 72.335 1.00 34.40 ? 62 ASN H HB2 1 ATOM 906 H HB3 . ASN A 1 57 ? 83.188 -2.141 71.236 1.00 34.40 ? 62 ASN H HB3 1 ATOM 907 N N . ASP A 1 58 ? 81.507 -3.707 74.220 1.00 25.52 ? 63 ASP H N 1 ATOM 908 C CA . ASP A 1 58 ? 80.613 -4.856 74.269 1.00 25.79 ? 63 ASP H CA 1 ATOM 909 C C . ASP A 1 58 ? 79.190 -4.453 74.575 1.00 25.02 ? 63 ASP H C 1 ATOM 910 O O . ASP A 1 58 ? 78.276 -5.256 74.398 1.00 25.94 ? 63 ASP H O 1 ATOM 911 C CB . ASP A 1 58 ? 81.030 -5.855 75.351 1.00 26.23 ? 63 ASP H CB 1 ATOM 912 C CG . ASP A 1 58 ? 82.347 -6.537 75.072 1.00 26.98 ? 63 ASP H CG 1 ATOM 913 O OD1 . ASP A 1 58 ? 82.720 -6.695 73.883 1.00 28.35 ? 63 ASP H OD1 1 ATOM 914 O OD2 . ASP A 1 58 ? 82.990 -6.944 76.065 1.00 27.28 ? 63 ASP H OD2 1 ATOM 915 H H . ASP A 1 58 ? 81.959 -3.574 74.940 1.00 30.63 ? 63 ASP H H 1 ATOM 916 H HA . ASP A 1 58 ? 80.626 -5.310 73.412 1.00 30.95 ? 63 ASP H HA 1 ATOM 917 H HB2 . ASP A 1 58 ? 81.113 -5.384 76.195 1.00 31.47 ? 63 ASP H HB2 1 ATOM 918 H HB3 . ASP A 1 58 ? 80.349 -6.541 75.422 1.00 31.47 ? 63 ASP H HB3 1 ATOM 919 N N . LEU A 1 59 ? 79.006 -3.226 75.071 1.00 24.34 ? 64 LEU H N 1 ATOM 920 C CA . LEU A 1 59 ? 77.788 -2.854 75.773 1.00 24.28 ? 64 LEU H CA 1 ATOM 921 C C . LEU A 1 59 ? 77.179 -1.573 75.278 1.00 21.43 ? 64 LEU H C 1 ATOM 922 O O . LEU A 1 59 ? 77.872 -0.718 74.761 1.00 23.39 ? 64 LEU H O 1 ATOM 923 C CB . LEU A 1 59 ? 78.097 -2.631 77.271 1.00 27.22 ? 64 LEU H CB 1 ATOM 924 C CG . LEU A 1 59 ? 79.012 -3.645 77.962 1.00 28.00 ? 64 LEU H CG 1 ATOM 925 C CD1 . LEU A 1 59 ? 79.622 -3.120 79.246 1.00 29.51 ? 64 LEU H CD1 1 ATOM 926 C CD2 . LEU A 1 59 ? 78.182 -4.862 78.194 1.00 29.08 ? 64 LEU H CD2 1 ATOM 927 H H . LEU A 1 59 ? 79.581 -2.590 75.012 1.00 29.21 ? 64 LEU H H 1 ATOM 928 H HA . LEU A 1 59 ? 77.132 -3.564 75.691 1.00 29.13 ? 64 LEU H HA 1 ATOM 929 H HB2 . LEU A 1 59 ? 78.515 -1.761 77.365 1.00 32.66 ? 64 LEU H HB2 1 ATOM 930 H HB3 . LEU A 1 59 ? 77.255 -2.633 77.754 1.00 32.66 ? 64 LEU H HB3 1 ATOM 931 H HG . LEU A 1 59 ? 79.734 -3.883 77.359 1.00 33.61 ? 64 LEU H HG 1 ATOM 932 H HD11 . LEU A 1 59 ? 78.910 -2.893 79.864 1.00 35.41 ? 64 LEU H HD11 1 ATOM 933 H HD12 . LEU A 1 59 ? 80.188 -3.808 79.631 1.00 35.41 ? 64 LEU H HD12 1 ATOM 934 H HD13 . LEU A 1 59 ? 80.150 -2.331 79.044 1.00 35.41 ? 64 LEU H HD13 1 ATOM 935 H HD21 . LEU A 1 59 ? 77.866 -5.196 77.340 1.00 34.90 ? 64 LEU H HD21 1 ATOM 936 H HD22 . LEU A 1 59 ? 78.726 -5.535 78.633 1.00 34.90 ? 64 LEU H HD22 1 ATOM 937 H HD23 . LEU A 1 59 ? 77.428 -4.626 78.757 1.00 34.90 ? 64 LEU H HD23 1 ATOM 938 N N . LEU A 1 60 ? 75.879 -1.435 75.520 1.00 20.28 ? 65 LEU H N 1 ATOM 939 C CA . LEU A 1 60 ? 75.178 -0.163 75.381 1.00 18.79 ? 65 LEU H CA 1 ATOM 940 C C . LEU A 1 60 ? 74.388 0.100 76.636 1.00 17.15 ? 65 LEU H C 1 ATOM 941 O O . LEU A 1 60 ? 74.080 -0.816 77.385 1.00 18.30 ? 65 LEU H O 1 ATOM 942 C CB . LEU A 1 60 ? 74.205 -0.202 74.199 1.00 20.61 ? 65 LEU H CB 1 ATOM 943 C CG . LEU A 1 60 ? 74.825 -0.398 72.830 1.00 22.15 ? 65 LEU H CG 1 ATOM 944 C CD1 . LEU A 1 60 ? 73.758 -0.724 71.811 1.00 22.32 ? 65 LEU H CD1 1 ATOM 945 C CD2 . LEU A 1 60 ? 75.588 0.850 72.456 1.00 22.78 ? 65 LEU H CD2 1 ATOM 946 H H . LEU A 1 60 ? 75.369 -2.080 75.772 1.00 24.34 ? 65 LEU H H 1 ATOM 947 H HA . LEU A 1 60 ? 75.814 0.557 75.248 1.00 22.55 ? 65 LEU H HA 1 ATOM 948 H HB2 . LEU A 1 60 ? 73.582 -0.932 74.341 1.00 24.74 ? 65 LEU H HB2 1 ATOM 949 H HB3 . LEU A 1 60 ? 73.718 0.637 74.178 1.00 24.74 ? 65 LEU H HB3 1 ATOM 950 H HG . LEU A 1 60 ? 75.450 -1.139 72.864 1.00 26.57 ? 65 LEU H HG 1 ATOM 951 H HD11 . LEU A 1 60 ? 73.124 0.009 71.773 1.00 26.78 ? 65 LEU H HD11 1 ATOM 952 H HD12 . LEU A 1 60 ? 74.177 -0.845 70.944 1.00 26.78 ? 65 LEU H HD12 1 ATOM 953 H HD13 . LEU A 1 60 ? 73.306 -1.539 72.077 1.00 26.78 ? 65 LEU H HD13 1 ATOM 954 H HD21 . LEU A 1 60 ? 76.282 1.004 73.116 1.00 27.34 ? 65 LEU H HD21 1 ATOM 955 H HD22 . LEU A 1 60 ? 75.986 0.726 71.580 1.00 27.34 ? 65 LEU H HD22 1 ATOM 956 H HD23 . LEU A 1 60 ? 74.975 1.602 72.439 1.00 27.34 ? 65 LEU H HD23 1 ATOM 957 N N . VAL A 1 61 ? 74.045 1.360 76.856 1.00 15.60 ? 66 VAL H N 1 ATOM 958 C CA . VAL A 1 61 ? 73.077 1.698 77.899 1.00 16.49 ? 66 VAL H CA 1 ATOM 959 C C . VAL A 1 61 ? 71.826 2.252 77.240 1.00 14.89 ? 66 VAL H C 1 ATOM 960 O O . VAL A 1 61 ? 71.888 2.997 76.272 1.00 17.25 ? 66 VAL H O 1 ATOM 961 C CB . VAL A 1 61 ? 73.615 2.662 79.005 1.00 20.80 ? 66 VAL H CB 1 ATOM 962 C CG1 . VAL A 1 61 ? 74.704 2.028 79.816 1.00 22.14 ? 66 VAL H CG1 1 ATOM 963 C CG2 . VAL A 1 61 ? 74.140 3.893 78.421 1.00 22.31 ? 66 VAL H CG2 1 ATOM 964 H H . VAL A 1 61 ? 74.353 2.036 76.422 1.00 18.73 ? 66 VAL H H 1 ATOM 965 H HA . VAL A 1 61 ? 72.821 0.876 78.345 1.00 19.78 ? 66 VAL H HA 1 ATOM 966 H HB . VAL A 1 61 ? 72.889 2.897 79.604 1.00 24.96 ? 66 VAL H HB 1 ATOM 967 H HG11 . VAL A 1 61 ? 75.439 1.792 79.229 1.00 26.56 ? 66 VAL H HG11 1 ATOM 968 H HG12 . VAL A 1 61 ? 75.007 2.659 80.488 1.00 26.56 ? 66 VAL H HG12 1 ATOM 969 H HG13 . VAL A 1 61 ? 74.355 1.231 80.245 1.00 26.56 ? 66 VAL H HG13 1 ATOM 970 H HG21 . VAL A 1 61 ? 73.429 4.339 77.934 1.00 26.77 ? 66 VAL H HG21 1 ATOM 971 H HG22 . VAL A 1 61 ? 74.464 4.467 79.133 1.00 26.77 ? 66 VAL H HG22 1 ATOM 972 H HG23 . VAL A 1 61 ? 74.866 3.671 77.818 1.00 26.77 ? 66 VAL H HG23 1 ATOM 973 N N . ARG A 1 62 ? 70.679 1.828 77.745 1.00 12.92 ? 67 ARG H N 1 ATOM 974 C CA . ARG A 1 62 ? 69.383 2.247 77.218 1.00 12.09 ? 67 ARG H CA 1 ATOM 975 C C . ARG A 1 62 ? 68.665 2.963 78.359 1.00 11.80 ? 67 ARG H C 1 ATOM 976 O O . ARG A 1 62 ? 68.469 2.395 79.437 1.00 11.76 ? 67 ARG H O 1 ATOM 977 C CB . ARG A 1 62 ? 68.587 1.051 76.683 1.00 12.77 ? 67 ARG H CB 1 ATOM 978 C CG . ARG A 1 62 ? 69.349 0.255 75.618 1.00 13.76 ? 67 ARG H CG 1 ATOM 979 C CD . ARG A 1 62 ? 68.628 -0.989 75.152 1.00 14.18 ? 67 ARG H CD 1 ATOM 980 N NE . ARG A 1 62 ? 67.396 -0.681 74.440 1.00 14.50 ? 67 ARG H NE 1 ATOM 981 C CZ . ARG A 1 62 ? 66.635 -1.590 73.851 1.00 15.17 ? 67 ARG H CZ 1 ATOM 982 N NH1 . ARG A 1 62 ? 67.018 -2.862 73.818 1.00 16.59 ? 67 ARG H NH1 1 ATOM 983 N NH2 . ARG A 1 62 ? 65.518 -1.234 73.252 1.00 15.35 ? 67 ARG H NH2 1 ATOM 984 H H . ARG A 1 62 ? 70.620 1.284 78.409 1.00 15.51 ? 67 ARG H H 1 ATOM 985 H HA . ARG A 1 62 ? 69.516 2.877 76.493 1.00 14.51 ? 67 ARG H HA 1 ATOM 986 H HB2 . ARG A 1 62 ? 68.386 0.451 77.419 1.00 15.32 ? 67 ARG H HB2 1 ATOM 987 H HB3 . ARG A 1 62 ? 67.763 1.374 76.284 1.00 15.32 ? 67 ARG H HB3 1 ATOM 988 H HG2 . ARG A 1 62 ? 69.489 0.824 74.844 1.00 16.52 ? 67 ARG H HG2 1 ATOM 989 H HG3 . ARG A 1 62 ? 70.205 -0.017 75.984 1.00 16.52 ? 67 ARG H HG3 1 ATOM 990 H HD2 . ARG A 1 62 ? 69.207 -1.485 74.552 1.00 17.01 ? 67 ARG H HD2 1 ATOM 991 H HD3 . ARG A 1 62 ? 68.403 -1.533 75.923 1.00 17.01 ? 67 ARG H HD3 1 ATOM 992 H HE . ARG A 1 62 ? 67.187 0.147 74.336 1.00 17.40 ? 67 ARG H HE 1 ATOM 993 H HH11 . ARG A 1 62 ? 67.744 -3.103 74.212 1.00 19.91 ? 67 ARG H HH11 1 ATOM 994 H HH12 . ARG A 1 62 ? 66.528 -3.449 73.424 1.00 19.91 ? 67 ARG H HH12 1 ATOM 995 H HH21 . ARG A 1 62 ? 65.272 -0.410 73.255 1.00 18.42 ? 67 ARG H HH21 1 ATOM 996 H HH22 . ARG A 1 62 ? 65.040 -1.824 72.849 1.00 18.42 ? 67 ARG H HH22 1 ATOM 997 N N . ILE A 1 63 ? 68.312 4.224 78.138 1.00 11.72 ? 68 ILE H N 1 ATOM 998 C CA . ILE A 1 63 ? 67.837 5.123 79.171 1.00 11.37 ? 68 ILE H CA 1 ATOM 999 C C . ILE A 1 63 ? 66.441 5.594 78.776 1.00 11.23 ? 68 ILE H C 1 ATOM 1000 O O . ILE A 1 63 ? 66.155 5.771 77.589 1.00 12.24 ? 68 ILE H O 1 ATOM 1001 C CB . ILE A 1 63 ? 68.797 6.338 79.303 1.00 12.75 ? 68 ILE H CB 1 ATOM 1002 C CG1 . ILE A 1 63 ? 70.257 5.866 79.277 1.00 14.13 ? 68 ILE H CG1 1 ATOM 1003 C CG2 . ILE A 1 63 ? 68.483 7.127 80.555 1.00 14.26 ? 68 ILE H CG2 1 ATOM 1004 C CD1 . ILE A 1 63 ? 71.298 6.952 79.364 1.00 17.20 ? 68 ILE H CD1 1 ATOM 1005 H H . ILE A 1 63 ? 68.342 4.592 77.362 1.00 14.06 ? 68 ILE H H 1 ATOM 1006 H HA . ILE A 1 63 ? 67.789 4.660 80.022 1.00 13.65 ? 68 ILE H HA 1 ATOM 1007 H HB . ILE A 1 63 ? 68.655 6.918 78.539 1.00 15.30 ? 68 ILE H HB 1 ATOM 1008 H HG12 . ILE A 1 63 ? 70.398 5.268 80.028 1.00 16.96 ? 68 ILE H HG12 1 ATOM 1009 H HG13 . ILE A 1 63 ? 70.408 5.386 78.448 1.00 16.96 ? 68 ILE H HG13 1 ATOM 1010 H HG21 . ILE A 1 63 ? 68.591 6.550 81.327 1.00 17.12 ? 68 ILE H HG21 1 ATOM 1011 H HG22 . ILE A 1 63 ? 69.094 7.879 80.615 1.00 17.12 ? 68 ILE H HG22 1 ATOM 1012 H HG23 . ILE A 1 63 ? 67.568 7.447 80.505 1.00 17.12 ? 68 ILE H HG23 1 ATOM 1013 H HD11 . ILE A 1 63 ? 71.180 7.436 80.196 1.00 20.64 ? 68 ILE H HD11 1 ATOM 1014 H HD12 . ILE A 1 63 ? 72.179 6.547 79.340 1.00 20.64 ? 68 ILE H HD12 1 ATOM 1015 H HD13 . ILE A 1 63 ? 71.189 7.554 78.612 1.00 20.64 ? 68 ILE H HD13 1 ATOM 1016 N N . GLY A 1 64 ? 65.556 5.782 79.747 1.00 11.30 ? 69 GLY H N 1 ATOM 1017 C CA . GLY A 1 64 ? 64.199 6.193 79.459 1.00 11.36 ? 69 GLY H CA 1 ATOM 1018 C C . GLY A 1 64 ? 63.227 5.083 79.146 1.00 11.50 ? 69 GLY H C 1 ATOM 1019 O O . GLY A 1 64 ? 62.125 5.372 78.682 1.00 12.31 ? 69 GLY H O 1 ATOM 1020 H H . GLY A 1 64 ? 65.721 5.677 80.584 1.00 13.56 ? 69 GLY H H 1 ATOM 1021 H HA2 . GLY A 1 64 ? 63.853 6.681 80.222 1.00 13.63 ? 69 GLY H HA2 1 ATOM 1022 H HA3 . GLY A 1 64 ? 64.211 6.797 78.700 1.00 13.63 ? 69 GLY H HA3 1 ATOM 1023 N N . LYS A 1 65 ? 63.605 3.833 79.423 1.00 11.38 ? 70 LYS H N 1 ATOM 1024 C CA . LYS A 1 65 ? 62.771 2.715 79.057 1.00 11.52 ? 70 LYS H CA 1 ATOM 1025 C C . LYS A 1 65 ? 61.680 2.402 80.044 1.00 11.37 ? 70 LYS H C 1 ATOM 1026 O O . LYS A 1 65 ? 61.750 2.698 81.247 1.00 12.05 ? 70 LYS H O 1 ATOM 1027 C CB . LYS A 1 65 ? 63.613 1.455 78.802 1.00 12.01 ? 70 LYS H CB 1 ATOM 1028 C CG . LYS A 1 65 ? 64.511 1.550 77.575 1.00 12.54 ? 70 LYS H CG 1 ATOM 1029 C CD . LYS A 1 65 ? 65.159 0.228 77.188 1.00 13.02 ? 70 LYS H CD 1 ATOM 1030 C CE . LYS A 1 65 ? 64.157 -0.873 76.862 1.00 13.51 ? 70 LYS H CE 1 ATOM 1031 N NZ . LYS A 1 65 ? 63.152 -0.432 75.836 1.00 13.89 ? 70 LYS H NZ 1 ATOM 1032 H H . LYS A 1 65 ? 64.337 3.617 79.819 1.00 13.65 ? 70 LYS H H 1 ATOM 1033 H HA . LYS A 1 65 ? 62.334 2.935 78.219 1.00 13.83 ? 70 LYS H HA 1 ATOM 1034 H HB2 . LYS A 1 65 ? 64.181 1.298 79.573 1.00 14.41 ? 70 LYS H HB2 1 ATOM 1035 H HB3 . LYS A 1 65 ? 63.016 0.701 78.674 1.00 14.41 ? 70 LYS H HB3 1 ATOM 1036 H HG2 . LYS A 1 65 ? 63.980 1.852 76.822 1.00 15.05 ? 70 LYS H HG2 1 ATOM 1037 H HG3 . LYS A 1 65 ? 65.219 2.187 77.755 1.00 15.05 ? 70 LYS H HG3 1 ATOM 1038 H HD2 . LYS A 1 65 ? 65.712 0.368 76.403 1.00 15.62 ? 70 LYS H HD2 1 ATOM 1039 H HD3 . LYS A 1 65 ? 65.708 -0.080 77.927 1.00 15.62 ? 70 LYS H HD3 1 ATOM 1040 H HE2 . LYS A 1 65 ? 64.631 -1.642 76.510 1.00 16.22 ? 70 LYS H HE2 1 ATOM 1041 H HE3 . LYS A 1 65 ? 63.677 -1.116 77.670 1.00 16.22 ? 70 LYS H HE3 1 ATOM 1042 H HZ1 . LYS A 1 65 ? 63.568 -0.207 75.081 1.00 16.67 ? 70 LYS H HZ1 1 ATOM 1043 H HZ2 . LYS A 1 65 ? 62.581 -1.093 75.666 1.00 16.67 ? 70 LYS H HZ2 1 ATOM 1044 H HZ3 . LYS A 1 65 ? 62.699 0.272 76.137 1.00 16.67 ? 70 LYS H HZ3 1 ATOM 1045 N N . HIS A 1 66 ? 60.677 1.727 79.506 1.00 11.74 ? 71 HIS H N 1 ATOM 1046 C CA . HIS A 1 66 ? 59.580 1.171 80.255 1.00 11.70 ? 71 HIS H CA 1 ATOM 1047 C C . HIS A 1 66 ? 59.386 -0.297 79.840 1.00 12.26 ? 71 HIS H C 1 ATOM 1048 O O . HIS A 1 66 ? 59.583 -1.215 80.657 1.00 12.93 ? 71 HIS H O 1 ATOM 1049 C CB . HIS A 1 66 ? 58.314 2.004 80.056 1.00 11.98 ? 71 HIS H CB 1 ATOM 1050 C CG . HIS A 1 66 ? 57.135 1.485 80.806 1.00 12.22 ? 71 HIS H CG 1 ATOM 1051 N ND1 . HIS A 1 66 ? 57.076 1.468 82.188 1.00 12.49 ? 71 HIS H ND1 1 ATOM 1052 C CD2 . HIS A 1 66 ? 55.970 0.954 80.364 1.00 13.85 ? 71 HIS H CD2 1 ATOM 1053 C CE1 . HIS A 1 66 ? 55.909 0.957 82.550 1.00 13.91 ? 71 HIS H CE1 1 ATOM 1054 N NE2 . HIS A 1 66 ? 55.219 0.649 81.466 1.00 14.51 ? 71 HIS H NE2 1 ATOM 1055 H H . HIS A 1 66 ? 60.615 1.573 78.662 1.00 14.09 ? 71 HIS H H 1 ATOM 1056 H HA . HIS A 1 66 ? 59.803 1.188 81.199 1.00 14.05 ? 71 HIS H HA 1 ATOM 1057 H HB2 . HIS A 1 66 ? 58.484 2.910 80.359 1.00 14.38 ? 71 HIS H HB2 1 ATOM 1058 H HB3 . HIS A 1 66 ? 58.088 2.010 79.113 1.00 14.38 ? 71 HIS H HB3 1 ATOM 1059 H HD2 . HIS A 1 66 ? 55.718 0.841 79.476 1.00 16.62 ? 71 HIS H HD2 1 ATOM 1060 H HE1 . HIS A 1 66 ? 55.620 0.838 83.426 1.00 16.69 ? 71 HIS H HE1 1 ATOM 1061 N N . SER A 1 67 ? 59.037 -0.546 78.579 1.00 13.04 ? 72 SER H N 1 ATOM 1062 C CA . SER A 1 67 ? 59.026 -1.893 78.047 1.00 14.18 ? 72 SER H CA 1 ATOM 1063 C C . SER A 1 67 ? 60.398 -2.558 78.141 1.00 14.97 ? 72 SER H C 1 ATOM 1064 O O . SER A 1 67 ? 61.408 -1.938 77.835 1.00 16.44 ? 72 SER H O 1 ATOM 1065 C CB . SER A 1 67 ? 58.651 -1.829 76.574 1.00 15.92 ? 72 SER H CB 1 ATOM 1066 O OG . SER A 1 67 ? 58.756 -3.095 75.985 1.00 18.17 ? 72 SER H OG 1 ATOM 1067 H H . SER A 1 67 ? 58.801 0.056 78.013 1.00 15.65 ? 72 SER H H 1 ATOM 1068 H HA . SER A 1 67 ? 58.375 -2.435 78.520 1.00 17.02 ? 72 SER H HA 1 ATOM 1069 H HB2 . SER A 1 67 ? 57.736 -1.517 76.493 1.00 19.10 ? 72 SER H HB2 1 ATOM 1070 H HB3 . SER A 1 67 ? 59.252 -1.217 76.120 1.00 19.10 ? 72 SER H HB3 1 ATOM 1071 H HG . SER A 1 67 ? 58.241 -3.635 76.370 1.00 21.81 ? 72 SER H HG 1 ATOM 1072 N N . ARG A 1 68 ? 60.418 -3.832 78.518 1.00 14.95 ? 73 ARG H N 1 ATOM 1073 C CA . ARG A 1 68 ? 61.647 -4.610 78.552 1.00 16.10 ? 73 ARG H CA 1 ATOM 1074 C C . ARG A 1 68 ? 62.206 -4.817 77.157 1.00 16.27 ? 73 ARG H C 1 ATOM 1075 O O . ARG A 1 68 ? 63.365 -4.500 76.906 1.00 17.51 ? 73 ARG H O 1 ATOM 1076 C CB . ARG A 1 68 ? 61.440 -5.969 79.241 1.00 16.68 ? 73 ARG H CB 1 ATOM 1077 C CG . ARG A 1 68 ? 62.698 -6.830 79.321 1.00 17.16 ? 73 ARG H CG 1 ATOM 1078 C CD . ARG A 1 68 ? 62.493 -8.101 80.145 1.00 18.17 ? 73 ARG H CD 1 ATOM 1079 N NE . ARG A 1 68 ? 61.476 -8.951 79.538 1.00 18.88 ? 73 ARG H NE 1 ATOM 1080 C CZ . ARG A 1 68 ? 61.718 -9.946 78.689 1.00 21.12 ? 73 ARG H CZ 1 ATOM 1081 N NH1 . ARG A 1 68 ? 62.962 -10.288 78.378 1.00 23.04 ? 73 ARG H NH1 1 ATOM 1082 N NH2 . ARG A 1 68 ? 60.700 -10.618 78.153 1.00 22.30 ? 73 ARG H NH2 1 ATOM 1083 H H . ARG A 1 68 ? 59.721 -4.273 78.763 1.00 17.95 ? 73 ARG H H 1 ATOM 1084 H HA . ARG A 1 68 ? 62.309 -4.120 79.063 1.00 19.32 ? 73 ARG H HA 1 ATOM 1085 H HB2 . ARG A 1 68 ? 61.131 -5.814 80.147 1.00 20.02 ? 73 ARG H HB2 1 ATOM 1086 H HB3 . ARG A 1 68 ? 60.772 -6.470 78.748 1.00 20.02 ? 73 ARG H HB3 1 ATOM 1087 H HG2 . ARG A 1 68 ? 62.959 -7.092 78.425 1.00 20.60 ? 73 ARG H HG2 1 ATOM 1088 H HG3 . ARG A 1 68 ? 63.407 -6.315 79.737 1.00 20.60 ? 73 ARG H HG3 1 ATOM 1089 H HD2 . ARG A 1 68 ? 63.324 -8.598 80.183 1.00 21.80 ? 73 ARG H HD2 1 ATOM 1090 H HD3 . ARG A 1 68 ? 62.199 -7.863 81.038 1.00 21.80 ? 73 ARG H HD3 1 ATOM 1091 H HE . ARG A 1 68 ? 60.655 -8.797 79.745 1.00 22.66 ? 73 ARG H HE 1 ATOM 1092 H HH11 . ARG A 1 68 ? 63.624 -9.850 78.708 1.00 26.76 ? 73 ARG H HH11 1 ATOM 1093 H HH12 . ARG A 1 68 ? 63.106 -10.940 77.835 1.00 26.76 ? 73 ARG H HH12 1 ATOM 1094 H HH21 . ARG A 1 68 ? 59.891 -10.412 78.363 1.00 27.65 ? 73 ARG H HH21 1 ATOM 1095 H HH22 . ARG A 1 68 ? 60.851 -11.280 77.626 1.00 27.65 ? 73 ARG H HH22 1 ATOM 1096 N N . THR A 1 69 ? 61.389 -5.330 76.240 1.00 16.72 ? 74 THR H N 1 ATOM 1097 C CA . THR A 1 69 ? 61.951 -5.862 74.997 1.00 18.13 ? 74 THR H CA 1 ATOM 1098 C C . THR A 1 69 ? 61.790 -4.965 73.780 1.00 18.94 ? 74 THR H C 1 ATOM 1099 O O . THR A 1 69 ? 62.481 -5.165 72.778 1.00 20.49 ? 74 THR H O 1 ATOM 1100 C CB . THR A 1 69 ? 61.342 -7.221 74.618 1.00 19.78 ? 74 THR H CB 1 ATOM 1101 O OG1 . THR A 1 69 ? 59.942 -7.044 74.397 1.00 20.20 ? 74 THR H OG1 1 ATOM 1102 C CG2 . THR A 1 69 ? 61.590 -8.272 75.694 1.00 21.27 ? 74 THR H CG2 1 ATOM 1103 H H . THR A 1 69 ? 60.533 -5.383 76.306 1.00 20.06 ? 74 THR H H 1 ATOM 1104 H HA . THR A 1 69 ? 62.902 -5.998 75.130 1.00 21.76 ? 74 THR H HA 1 ATOM 1105 H HB . THR A 1 69 ? 61.754 -7.532 73.796 1.00 23.73 ? 74 THR H HB 1 ATOM 1106 H HG1 . THR A 1 69 ? 59.575 -6.755 75.095 1.00 24.25 ? 74 THR H HG1 1 ATOM 1107 H HG21 . THR A 1 69 ? 61.193 -7.988 76.532 1.00 25.53 ? 74 THR H HG21 1 ATOM 1108 H HG22 . THR A 1 69 ? 61.196 -9.117 75.429 1.00 25.53 ? 74 THR H HG22 1 ATOM 1109 H HG23 . THR A 1 69 ? 62.544 -8.395 75.823 1.00 25.53 ? 74 THR H HG23 1 ATOM 1110 N N A ARG A 1 70 ? 60.871 -4.000 73.858 0.50 18.93 ? 75 ARG H N 1 ATOM 1111 N N B ARG A 1 70 ? 60.897 -4.002 73.825 0.50 18.75 ? 75 ARG H N 1 ATOM 1112 C CA A ARG A 1 70 ? 60.561 -3.118 72.730 0.50 18.95 ? 75 ARG H CA 1 ATOM 1113 C CA B ARG A 1 70 ? 60.604 -3.275 72.611 0.50 18.05 ? 75 ARG H CA 1 ATOM 1114 C C A ARG A 1 70 ? 61.650 -2.082 72.525 0.50 17.00 ? 75 ARG H C 1 ATOM 1115 C C B ARG A 1 70 ? 61.498 -2.035 72.514 0.50 16.25 ? 75 ARG H C 1 ATOM 1116 O O A ARG A 1 70 ? 62.318 -1.672 73.491 0.50 16.49 ? 75 ARG H O 1 ATOM 1117 O O B ARG A 1 70 ? 61.940 -1.486 73.551 0.50 15.57 ? 75 ARG H O 1 ATOM 1118 C CB A ARG A 1 70 ? 59.232 -2.375 72.961 0.50 20.36 ? 75 ARG H CB 1 ATOM 1119 C CB B ARG A 1 70 ? 59.118 -2.965 72.582 0.50 18.46 ? 75 ARG H CB 1 ATOM 1120 C CG A ARG A 1 70 ? 58.739 -1.586 71.735 0.50 21.52 ? 75 ARG H CG 1 ATOM 1121 C CG B ARG A 1 70 ? 58.273 -4.222 72.784 0.50 18.56 ? 75 ARG H CG 1 ATOM 1122 C CD A ARG A 1 70 ? 57.640 -0.584 72.035 0.50 21.49 ? 75 ARG H CD 1 ATOM 1123 C CD B ARG A 1 70 ? 56.797 -3.958 72.730 0.50 21.69 ? 75 ARG H CD 1 ATOM 1124 N NE A ARG A 1 70 ? 57.553 0.440 70.996 0.50 21.20 ? 75 ARG H NE 1 ATOM 1125 N NE B ARG A 1 70 ? 55.993 -5.190 72.669 0.50 23.67 ? 75 ARG H NE 1 ATOM 1126 C CZ A ARG A 1 70 ? 57.227 1.714 71.205 0.50 19.79 ? 75 ARG H CZ 1 ATOM 1127 C CZ B ARG A 1 70 ? 55.743 -5.908 71.574 0.50 23.92 ? 75 ARG H CZ 1 ATOM 1128 N NH1 A ARG A 1 70 ? 56.924 2.148 72.423 0.50 20.51 ? 75 ARG H NH1 1 ATOM 1129 N NH1 B ARG A 1 70 ? 56.246 -5.559 70.408 0.50 25.46 ? 75 ARG H NH1 1 ATOM 1130 N NH2 A ARG A 1 70 ? 57.193 2.571 70.187 0.50 19.88 ? 75 ARG H NH2 1 ATOM 1131 N NH2 B ARG A 1 70 ? 54.994 -7.001 71.649 0.50 21.21 ? 75 ARG H NH2 1 ATOM 1132 H H A ARG A 1 70 ? 60.408 -3.834 74.563 0.50 22.72 ? 75 ARG H H 1 ATOM 1133 H H B ARG A 1 70 ? 60.459 -3.753 74.522 0.50 22.50 ? 75 ARG H H 1 ATOM 1134 H HA A ARG A 1 70 ? 60.481 -3.645 71.920 0.50 22.74 ? 75 ARG H HA 1 ATOM 1135 H HA B ARG A 1 70 ? 60.803 -3.843 71.851 0.50 21.66 ? 75 ARG H HA 1 ATOM 1136 H HB2 A ARG A 1 70 ? 58.548 -3.023 73.192 0.50 24.44 ? 75 ARG H HB2 1 ATOM 1137 H HB2 B ARG A 1 70 ? 58.908 -2.340 73.293 0.50 22.16 ? 75 ARG H HB2 1 ATOM 1138 H HB3 A ARG A 1 70 ? 59.348 -1.746 73.691 0.50 24.44 ? 75 ARG H HB3 1 ATOM 1139 H HB3 B ARG A 1 70 ? 58.889 -2.581 71.720 0.50 22.16 ? 75 ARG H HB3 1 ATOM 1140 H HG2 A ARG A 1 70 ? 59.488 -1.098 71.358 0.50 25.82 ? 75 ARG H HG2 1 ATOM 1141 H HG2 B ARG A 1 70 ? 58.487 -4.862 72.087 0.50 22.27 ? 75 ARG H HG2 1 ATOM 1142 H HG3 A ARG A 1 70 ? 58.395 -2.214 71.080 0.50 25.82 ? 75 ARG H HG3 1 ATOM 1143 H HG3 B ARG A 1 70 ? 58.476 -4.601 73.654 0.50 22.27 ? 75 ARG H HG3 1 ATOM 1144 H HD2 A ARG A 1 70 ? 56.788 -1.046 72.079 0.50 25.79 ? 75 ARG H HD2 1 ATOM 1145 H HD2 B ARG A 1 70 ? 56.535 -3.469 73.525 0.50 26.03 ? 75 ARG H HD2 1 ATOM 1146 H HD3 A ARG A 1 70 ? 57.828 -0.146 72.880 0.50 25.79 ? 75 ARG H HD3 1 ATOM 1147 H HD3 B ARG A 1 70 ? 56.600 -3.434 71.938 0.50 26.03 ? 75 ARG H HD3 1 ATOM 1148 H HE A ARG A 1 70 ? 57.727 0.202 70.188 0.50 25.44 ? 75 ARG H HE 1 ATOM 1149 H HE B ARG A 1 70 ? 55.653 -5.472 73.408 0.50 28.40 ? 75 ARG H HE 1 ATOM 1150 H HH11 A ARG A 1 70 ? 56.946 1.605 73.090 0.50 23.86 ? 75 ARG H HH11 1 ATOM 1151 H HH11 B ARG A 1 70 ? 56.733 -4.853 70.344 0.50 25.46 ? 75 ARG H HH11 1 ATOM 1152 H HH12 A ARG A 1 70 ? 56.711 2.972 72.545 0.50 23.86 ? 75 ARG H HH12 1 ATOM 1153 H HH12 B ARG A 1 70 ? 56.081 -6.032 69.709 0.50 25.46 ? 75 ARG H HH12 1 ATOM 1154 H HH21 A ARG A 1 70 ? 57.382 2.302 69.392 0.50 24.62 ? 75 ARG H HH21 1 ATOM 1155 H HH21 B ARG A 1 70 ? 54.662 -7.244 72.404 0.50 30.56 ? 75 ARG H HH21 1 ATOM 1156 H HH22 A ARG A 1 70 ? 56.974 3.391 70.323 0.50 24.62 ? 75 ARG H HH22 1 ATOM 1157 H HH22 B ARG A 1 70 ? 54.840 -7.466 70.942 0.50 30.56 ? 75 ARG H HH22 1 ATOM 1158 N N . TYR A 1 71 ? 61.826 -1.655 71.277 1.00 17.25 ? 76 TYR H N 1 ATOM 1159 C CA . TYR A 1 71 ? 62.599 -0.447 71.003 1.00 16.51 ? 76 TYR H CA 1 ATOM 1160 C C . TYR A 1 71 ? 61.616 0.736 71.116 1.00 16.12 ? 76 TYR H C 1 ATOM 1161 O O . TYR A 1 71 ? 60.713 0.888 70.275 1.00 17.40 ? 76 TYR H O 1 ATOM 1162 C CB . TYR A 1 71 ? 63.306 -0.485 69.623 1.00 18.76 ? 76 TYR H CB 1 ATOM 1163 C CG . TYR A 1 71 ? 63.942 0.854 69.367 1.00 19.25 ? 76 TYR H CG 1 ATOM 1164 C CD1 . TYR A 1 71 ? 64.960 1.323 70.204 1.00 20.43 ? 76 TYR H CD1 1 ATOM 1165 C CD2 . TYR A 1 71 ? 63.468 1.698 68.373 1.00 20.05 ? 76 TYR H CD2 1 ATOM 1166 C CE1 . TYR A 1 71 ? 65.509 2.566 70.026 1.00 19.89 ? 76 TYR H CE1 1 ATOM 1167 C CE2 . TYR A 1 71 ? 64.019 2.935 68.194 1.00 19.59 ? 76 TYR H CE2 1 ATOM 1168 C CZ . TYR A 1 71 ? 65.021 3.376 69.024 1.00 20.51 ? 76 TYR H CZ 1 ATOM 1169 O OH . TYR A 1 71 ? 65.540 4.638 68.806 1.00 21.13 ? 76 TYR H OH 1 ATOM 1170 H H . TYR A 1 71 ? 61.510 -2.043 70.577 1.00 20.70 ? 76 TYR H H 1 ATOM 1171 H HA . TYR A 1 71 ? 63.279 -0.342 71.687 1.00 19.81 ? 76 TYR H HA 1 ATOM 1172 H HB2 . TYR A 1 71 ? 63.998 -1.164 69.627 1.00 22.52 ? 76 TYR H HB2 1 ATOM 1173 H HB3 . TYR A 1 71 ? 62.655 -0.660 68.925 1.00 22.52 ? 76 TYR H HB3 1 ATOM 1174 H HD1 . TYR A 1 71 ? 65.274 0.779 70.890 1.00 24.51 ? 76 TYR H HD1 1 ATOM 1175 H HD2 . TYR A 1 71 ? 62.779 1.415 67.817 1.00 24.06 ? 76 TYR H HD2 1 ATOM 1176 H HE1 . TYR A 1 71 ? 66.191 2.864 70.583 1.00 23.87 ? 76 TYR H HE1 1 ATOM 1177 H HE2 . TYR A 1 71 ? 63.699 3.490 67.520 1.00 23.50 ? 76 TYR H HE2 1 ATOM 1178 H HH . TYR A 1 71 ? 66.155 4.795 69.356 1.00 25.35 ? 76 TYR H HH 1 ATOM 1179 N N . GLU A 1 72 ? 61.782 1.566 72.148 1.00 15.07 ? 77 GLU H N 1 ATOM 1180 C CA . GLU A 1 72 ? 60.789 2.589 72.478 1.00 14.14 ? 77 GLU H CA 1 ATOM 1181 C C . GLU A 1 72 ? 61.124 3.884 71.757 1.00 14.07 ? 77 GLU H C 1 ATOM 1182 O O . GLU A 1 72 ? 61.646 4.874 72.291 1.00 14.11 ? 77 GLU H O 1 ATOM 1183 C CB . GLU A 1 72 ? 60.678 2.704 73.990 1.00 14.22 ? 77 GLU H CB 1 ATOM 1184 C CG . GLU A 1 72 ? 60.099 1.433 74.549 1.00 14.46 ? 77 GLU H CG 1 ATOM 1185 C CD . GLU A 1 72 ? 60.044 1.451 76.065 1.00 14.41 ? 77 GLU H CD 1 ATOM 1186 O OE1 . GLU A 1 72 ? 61.108 1.341 76.703 1.00 13.89 ? 77 GLU H OE1 1 ATOM 1187 O OE2 . GLU A 1 72 ? 58.944 1.551 76.613 1.00 14.03 ? 77 GLU H OE2 1 ATOM 1188 H H . GLU A 1 72 ? 62.463 1.557 72.673 1.00 18.08 ? 77 GLU H H 1 ATOM 1189 H HA . GLU A 1 72 ? 59.926 2.293 72.148 1.00 16.96 ? 77 GLU H HA 1 ATOM 1190 H HB2 . GLU A 1 72 ? 61.559 2.838 74.373 1.00 17.06 ? 77 GLU H HB2 1 ATOM 1191 H HB3 . GLU A 1 72 ? 60.090 3.440 74.220 1.00 17.06 ? 77 GLU H HB3 1 ATOM 1192 H HG2 . GLU A 1 72 ? 59.196 1.321 74.215 1.00 17.35 ? 77 GLU H HG2 1 ATOM 1193 H HG3 . GLU A 1 72 ? 60.652 0.685 74.275 1.00 17.35 ? 77 GLU H HG3 1 ATOM 1194 N N . ARG A 1 73 A 60.756 3.861 70.469 1.00 14.68 ? 77 ARG H N 1 ATOM 1195 C CA . ARG A 1 73 A 61.036 4.939 69.560 1.00 15.19 ? 77 ARG H CA 1 ATOM 1196 C C . ARG A 1 73 A 60.506 6.264 70.103 1.00 15.24 ? 77 ARG H C 1 ATOM 1197 O O . ARG A 1 73 A 59.396 6.338 70.590 1.00 15.10 ? 77 ARG H O 1 ATOM 1198 C CB . ARG A 1 73 A 60.383 4.586 68.210 1.00 15.59 ? 77 ARG H CB 1 ATOM 1199 C CG . ARG A 1 73 A 60.667 5.520 67.069 1.00 15.71 ? 77 ARG H CG 1 ATOM 1200 C CD . ARG A 1 73 A 60.343 4.882 65.720 1.00 15.51 ? 77 ARG H CD 1 ATOM 1201 N NE . ARG A 1 73 A 58.995 4.328 65.668 1.00 15.36 ? 77 ARG H NE 1 ATOM 1202 C CZ . ARG A 1 73 A 57.937 4.923 65.128 1.00 13.90 ? 77 ARG H CZ 1 ATOM 1203 N NH1 . ARG A 1 73 A 58.023 6.146 64.609 1.00 14.20 ? 77 ARG H NH1 1 ATOM 1204 N NH2 . ARG A 1 73 A 56.775 4.293 65.113 1.00 14.61 ? 77 ARG H NH2 1 ATOM 1205 H H . ARG A 1 73 A 60.332 3.207 70.104 1.00 17.62 ? 77 ARG H H 1 ATOM 1206 H HA . ARG A 1 73 A 61.994 5.018 69.431 1.00 18.23 ? 77 ARG H HA 1 ATOM 1207 H HB2 . ARG A 1 73 A 60.692 3.705 67.945 1.00 18.71 ? 77 ARG H HB2 1 ATOM 1208 H HB3 . ARG A 1 73 A 59.421 4.565 68.334 1.00 18.71 ? 77 ARG H HB3 1 ATOM 1209 H HG2 . ARG A 1 73 A 60.122 6.317 67.166 1.00 18.85 ? 77 ARG H HG2 1 ATOM 1210 H HG3 . ARG A 1 73 A 61.608 5.755 67.075 1.00 18.85 ? 77 ARG H HG3 1 ATOM 1211 H HD2 . ARG A 1 73 A 60.417 5.555 65.026 1.00 18.61 ? 77 ARG H HD2 1 ATOM 1212 H HD3 . ARG A 1 73 A 60.970 4.161 65.552 1.00 18.61 ? 77 ARG H HD3 1 ATOM 1213 H HE . ARG A 1 73 A 58.875 3.550 66.015 1.00 18.44 ? 77 ARG H HE 1 ATOM 1214 H HH11 . ARG A 1 73 A 58.777 6.560 64.607 1.00 17.04 ? 77 ARG H HH11 1 ATOM 1215 H HH12 . ARG A 1 73 A 57.327 6.520 64.270 1.00 17.04 ? 77 ARG H HH12 1 ATOM 1216 H HH21 . ARG A 1 73 A 56.708 3.507 65.455 1.00 17.53 ? 77 ARG H HH21 1 ATOM 1217 H HH22 . ARG A 1 73 A 56.081 4.678 64.782 1.00 17.53 ? 77 ARG H HH22 1 ATOM 1218 N N . ASN A 1 74 ? 61.336 7.293 69.989 1.00 14.12 ? 78 ASN H N 1 ATOM 1219 C CA . ASN A 1 74 ? 61.038 8.666 70.414 1.00 14.69 ? 78 ASN H CA 1 ATOM 1220 C C . ASN A 1 74 ? 61.011 8.863 71.941 1.00 14.70 ? 78 ASN H C 1 ATOM 1221 O O . ASN A 1 74 ? 60.672 9.949 72.419 1.00 15.14 ? 78 ASN H O 1 ATOM 1222 C CB . ASN A 1 74 ? 59.700 9.185 69.833 1.00 14.93 ? 78 ASN H CB 1 ATOM 1223 C CG . ASN A 1 74 ? 59.708 9.346 68.329 1.00 15.02 ? 78 ASN H CG 1 ATOM 1224 O OD1 . ASN A 1 74 ? 60.634 8.976 67.628 1.00 16.19 ? 78 ASN H OD1 1 ATOM 1225 N ND2 . ASN A 1 74 ? 58.642 9.910 67.831 1.00 15.02 ? 78 ASN H ND2 1 ATOM 1226 H H . ASN A 1 74 ? 62.123 7.218 69.650 1.00 16.95 ? 78 ASN H H 1 ATOM 1227 H HA . ASN A 1 74 ? 61.738 9.241 70.068 1.00 17.63 ? 78 ASN H HA 1 ATOM 1228 H HB2 . ASN A 1 74 ? 58.996 8.557 70.060 1.00 17.91 ? 78 ASN H HB2 1 ATOM 1229 H HB3 . ASN A 1 74 ? 59.505 10.052 70.222 1.00 17.91 ? 78 ASN H HB3 1 ATOM 1230 H HD21 . ASN A 1 74 ? 58.003 10.158 68.351 1.00 18.02 ? 78 ASN H HD21 1 ATOM 1231 H HD22 . ASN A 1 74 ? 58.577 10.033 66.982 1.00 18.02 ? 78 ASN H HD22 1 ATOM 1232 N N . ILE A 1 75 ? 61.353 7.828 72.688 1.00 13.59 ? 79 ILE H N 1 ATOM 1233 C CA . ILE A 1 75 ? 61.300 7.857 74.165 1.00 12.88 ? 79 ILE H CA 1 ATOM 1234 C C . ILE A 1 75 ? 62.639 7.449 74.758 1.00 13.06 ? 79 ILE H C 1 ATOM 1235 O O . ILE A 1 75 ? 63.285 8.249 75.442 1.00 13.19 ? 79 ILE H O 1 ATOM 1236 C CB . ILE A 1 75 ? 60.184 6.971 74.651 1.00 12.60 ? 79 ILE H CB 1 ATOM 1237 C CG1 . ILE A 1 75 ? 58.836 7.464 74.102 1.00 14.38 ? 79 ILE H CG1 1 ATOM 1238 C CG2 . ILE A 1 75 ? 60.169 6.953 76.188 1.00 13.00 ? 79 ILE H CG2 1 ATOM 1239 C CD1 . ILE A 1 75 ? 57.708 6.566 74.430 1.00 15.29 ? 79 ILE H CD1 1 ATOM 1240 H H . ILE A 1 75 ? 61.626 7.078 72.369 1.00 16.31 ? 79 ILE H H 1 ATOM 1241 H HA . ILE A 1 75 ? 61.109 8.762 74.456 1.00 15.45 ? 79 ILE H HA 1 ATOM 1242 H HB . ILE A 1 75 ? 60.340 6.069 74.331 1.00 15.11 ? 79 ILE H HB 1 ATOM 1243 H HG12 . ILE A 1 75 ? 58.643 8.336 74.480 1.00 17.25 ? 79 ILE H HG12 1 ATOM 1244 H HG13 . ILE A 1 75 ? 58.895 7.528 73.136 1.00 17.25 ? 79 ILE H HG13 1 ATOM 1245 H HG21 . ILE A 1 75 ? 60.032 7.857 76.513 1.00 15.60 ? 79 ILE H HG21 1 ATOM 1246 H HG22 . ILE A 1 75 ? 59.447 6.380 76.489 1.00 15.60 ? 79 ILE H HG22 1 ATOM 1247 H HG23 . ILE A 1 75 ? 61.018 6.611 76.507 1.00 15.60 ? 79 ILE H HG23 1 ATOM 1248 H HD11 . ILE A 1 75 ? 57.628 6.499 75.395 1.00 18.35 ? 79 ILE H HD11 1 ATOM 1249 H HD12 . ILE A 1 75 ? 56.892 6.934 74.055 1.00 18.35 ? 79 ILE H HD12 1 ATOM 1250 H HD13 . ILE A 1 75 ? 57.881 5.690 74.050 1.00 18.35 ? 79 ILE H HD13 1 ATOM 1251 N N . GLU A 1 76 ? 63.068 6.221 74.523 1.00 12.78 ? 80 GLU H N 1 ATOM 1252 C CA . GLU A 1 76 ? 64.359 5.783 75.038 1.00 12.94 ? 80 GLU H CA 1 ATOM 1253 C C . GLU A 1 76 ? 65.488 6.426 74.266 1.00 13.34 ? 80 GLU H C 1 ATOM 1254 O O . GLU A 1 76 ? 65.314 6.830 73.093 1.00 14.89 ? 80 GLU H O 1 ATOM 1255 C CB . GLU A 1 76 ? 64.493 4.263 75.059 1.00 13.11 ? 80 GLU H CB 1 ATOM 1256 C CG . GLU A 1 76 ? 64.718 3.594 73.701 1.00 13.74 ? 80 GLU H CG 1 ATOM 1257 C CD . GLU A 1 76 ? 65.028 2.124 73.890 1.00 13.48 ? 80 GLU H CD 1 ATOM 1258 O OE1 . GLU A 1 76 ? 66.189 1.833 74.260 1.00 14.34 ? 80 GLU H OE1 1 ATOM 1259 O OE2 . GLU A 1 76 ? 64.114 1.275 73.757 1.00 14.27 ? 80 GLU H OE2 1 ATOM 1260 H H . GLU A 1 76 ? 62.639 5.626 74.074 1.00 15.34 ? 80 GLU H H 1 ATOM 1261 H HA . GLU A 1 76 ? 64.433 6.087 75.956 1.00 15.52 ? 80 GLU H HA 1 ATOM 1262 H HB2 . GLU A 1 76 ? 65.246 4.030 75.624 1.00 15.74 ? 80 GLU H HB2 1 ATOM 1263 H HB3 . GLU A 1 76 ? 63.680 3.889 75.434 1.00 15.74 ? 80 GLU H HB3 1 ATOM 1264 H HG2 . GLU A 1 76 ? 63.915 3.673 73.163 1.00 16.49 ? 80 GLU H HG2 1 ATOM 1265 H HG3 . GLU A 1 76 ? 65.470 4.013 73.253 1.00 16.49 ? 80 GLU H HG3 1 ATOM 1266 N N . LYS A 1 77 ? 66.642 6.514 74.916 1.00 13.78 ? 81 LYS H N 1 ATOM 1267 C CA . LYS A 1 77 ? 67.864 6.960 74.278 1.00 14.81 ? 81 LYS H CA 1 ATOM 1268 C C . LYS A 1 77 ? 68.938 5.930 74.548 1.00 15.03 ? 81 LYS H C 1 ATOM 1269 O O . LYS A 1 77 ? 69.072 5.416 75.659 1.00 15.33 ? 81 LYS H O 1 ATOM 1270 C CB . LYS A 1 77 ? 68.287 8.313 74.824 1.00 15.83 ? 81 LYS H CB 1 ATOM 1271 C CG . LYS A 1 77 ? 67.289 9.452 74.541 1.00 17.74 ? 81 LYS H CG 1 ATOM 1272 C CD . LYS A 1 77 ? 67.036 9.713 73.064 1.00 19.52 ? 81 LYS H CD 1 ATOM 1273 C CE . LYS A 1 77 ? 65.862 10.687 72.899 1.00 20.75 ? 81 LYS H CE 1 ATOM 1274 N NZ . LYS A 1 77 ? 65.440 10.895 71.496 1.00 22.86 ? 81 LYS H NZ 1 ATOM 1275 H H . LYS A 1 77 ? 66.740 6.316 75.747 1.00 16.53 ? 81 LYS H H 1 ATOM 1276 H HA . LYS A 1 77 ? 67.731 7.033 73.320 1.00 17.77 ? 81 LYS H HA 1 ATOM 1277 H HB2 . LYS A 1 77 ? 68.389 8.242 75.786 1.00 19.00 ? 81 LYS H HB2 1 ATOM 1278 H HB3 . LYS A 1 77 ? 69.136 8.558 74.423 1.00 19.00 ? 81 LYS H HB3 1 ATOM 1279 H HG2 . LYS A 1 77 ? 66.438 9.229 74.951 1.00 21.29 ? 81 LYS H HG2 1 ATOM 1280 H HG3 . LYS A 1 77 ? 67.634 10.271 74.930 1.00 21.29 ? 81 LYS H HG3 1 ATOM 1281 H HD2 . LYS A 1 77 ? 67.826 10.111 72.665 1.00 23.42 ? 81 LYS H HD2 1 ATOM 1282 H HD3 . LYS A 1 77 ? 66.812 8.880 72.621 1.00 23.42 ? 81 LYS H HD3 1 ATOM 1283 H HE2 . LYS A 1 77 ? 65.099 10.341 73.389 1.00 24.90 ? 81 LYS H HE2 1 ATOM 1284 H HE3 . LYS A 1 77 ? 66.119 11.549 73.261 1.00 24.90 ? 81 LYS H HE3 1 ATOM 1285 H HZ1 . LYS A 1 77 ? 65.186 10.121 71.138 1.00 27.43 ? 81 LYS H HZ1 1 ATOM 1286 H HZ2 . LYS A 1 77 ? 64.759 11.466 71.465 1.00 27.43 ? 81 LYS H HZ2 1 ATOM 1287 H HZ3 . LYS A 1 77 ? 66.117 11.225 71.021 1.00 27.43 ? 81 LYS H HZ3 1 ATOM 1288 N N . ILE A 1 78 ? 69.717 5.641 73.520 1.00 15.47 ? 82 ILE H N 1 ATOM 1289 C CA . ILE A 1 78 ? 70.748 4.604 73.578 1.00 17.32 ? 82 ILE H CA 1 ATOM 1290 C C . ILE A 1 78 ? 72.108 5.269 73.493 1.00 18.13 ? 82 ILE H C 1 ATOM 1291 O O . ILE A 1 78 ? 72.373 6.037 72.557 1.00 20.58 ? 82 ILE H O 1 ATOM 1292 C CB . ILE A 1 78 ? 70.539 3.545 72.477 1.00 18.25 ? 82 ILE H CB 1 ATOM 1293 C CG1 . ILE A 1 78 ? 69.136 2.936 72.637 1.00 18.65 ? 82 ILE H CG1 1 ATOM 1294 C CG2 . ILE A 1 78 ? 71.634 2.478 72.522 1.00 19.39 ? 82 ILE H CG2 1 ATOM 1295 C CD1 . ILE A 1 78 ? 68.822 1.762 71.749 1.00 19.50 ? 82 ILE H CD1 1 ATOM 1296 H H . ILE A 1 78 ? 69.671 6.037 72.758 1.00 18.56 ? 82 ILE H H 1 ATOM 1297 H HA . ILE A 1 78 ? 70.691 4.155 74.435 1.00 20.78 ? 82 ILE H HA 1 ATOM 1298 H HB . ILE A 1 78 ? 70.581 3.988 71.615 1.00 21.90 ? 82 ILE H HB 1 ATOM 1299 H HG12 . ILE A 1 78 ? 69.036 2.640 73.555 1.00 22.38 ? 82 ILE H HG12 1 ATOM 1300 H HG13 . ILE A 1 78 ? 68.481 3.626 72.448 1.00 22.38 ? 82 ILE H HG13 1 ATOM 1301 H HG21 . ILE A 1 78 ? 71.612 2.040 73.387 1.00 23.26 ? 82 ILE H HG21 1 ATOM 1302 H HG22 . ILE A 1 78 ? 71.472 1.830 71.818 1.00 23.26 ? 82 ILE H HG22 1 ATOM 1303 H HG23 . ILE A 1 78 ? 72.495 2.904 72.388 1.00 23.26 ? 82 ILE H HG23 1 ATOM 1304 H HD11 . ILE A 1 78 ? 69.453 1.049 71.934 1.00 23.40 ? 82 ILE H HD11 1 ATOM 1305 H HD12 . ILE A 1 78 ? 67.919 1.460 71.933 1.00 23.40 ? 82 ILE H HD12 1 ATOM 1306 H HD13 . ILE A 1 78 ? 68.896 2.038 70.822 1.00 23.40 ? 82 ILE H HD13 1 ATOM 1307 N N . SER A 1 79 ? 72.960 4.981 74.472 1.00 18.47 ? 83 SER H N 1 ATOM 1308 C CA . SER A 1 79 ? 74.263 5.620 74.587 1.00 19.19 ? 83 SER H CA 1 ATOM 1309 C C . SER A 1 79 ? 75.390 4.583 74.556 1.00 18.93 ? 83 SER H C 1 ATOM 1310 O O . SER A 1 79 ? 75.263 3.465 75.077 1.00 18.14 ? 83 SER H O 1 ATOM 1311 C CB . SER A 1 79 ? 74.351 6.434 75.897 1.00 20.71 ? 83 SER H CB 1 ATOM 1312 O OG . SER A 1 79 ? 73.348 7.434 76.027 1.00 22.70 ? 83 SER H OG 1 ATOM 1313 H H . SER A 1 79 ? 72.803 4.406 75.092 1.00 22.17 ? 83 SER H H 1 ATOM 1314 H HA . SER A 1 79 ? 74.388 6.228 73.842 1.00 23.03 ? 83 SER H HA 1 ATOM 1315 H HB2 . SER A 1 79 ? 74.269 5.821 76.644 1.00 24.85 ? 83 SER H HB2 1 ATOM 1316 H HB3 . SER A 1 79 ? 75.219 6.867 75.930 1.00 24.85 ? 83 SER H HB3 1 ATOM 1317 H HG . SER A 1 79 ? 73.406 7.984 75.395 1.00 27.23 ? 83 SER H HG 1 ATOM 1318 N N . MET A 1 80 ? 76.496 4.972 73.925 1.00 20.81 ? 84 MET H N 1 ATOM 1319 C CA . MET A 1 80 ? 77.720 4.186 73.956 1.00 21.42 ? 84 MET H CA 1 ATOM 1320 C C . MET A 1 80 ? 78.575 4.588 75.141 1.00 19.75 ? 84 MET H C 1 ATOM 1321 O O . MET A 1 80 ? 78.438 5.689 75.676 1.00 20.65 ? 84 MET H O 1 ATOM 1322 C CB . MET A 1 80 ? 78.515 4.404 72.671 1.00 25.18 ? 84 MET H CB 1 ATOM 1323 C CG . MET A 1 80 ? 77.794 3.950 71.417 1.00 30.02 ? 84 MET H CG 1 ATOM 1324 S SD . MET A 1 80 ? 78.671 4.405 69.920 1.00 35.44 ? 84 MET H SD 1 ATOM 1325 H H . MET A 1 80 ? 76.561 5.696 73.466 1.00 24.97 ? 84 MET H H 1 ATOM 1326 H HA . MET A 1 80 ? 77.497 3.244 74.023 1.00 25.71 ? 84 MET H HA 1 ATOM 1327 H HB2 . MET A 1 80 ? 78.704 5.351 72.578 1.00 30.22 ? 84 MET H HB2 1 ATOM 1328 H HB3 . MET A 1 80 ? 79.346 3.908 72.731 1.00 30.22 ? 84 MET H HB3 1 ATOM 1329 H HG2 . MET A 1 80 ? 77.708 2.984 71.433 1.00 36.02 ? 84 MET H HG2 1 ATOM 1330 H HG3 . MET A 1 80 ? 76.917 4.362 71.389 1.00 36.02 ? 84 MET H HG3 1 ATOM 1331 N N . LEU A 1 81 ? 79.438 3.670 75.559 1.00 19.40 ? 85 LEU H N 1 ATOM 1332 C CA A LEU A 1 81 ? 80.306 3.890 76.705 0.33 19.70 ? 85 LEU H CA 1 ATOM 1333 C CA B LEU A 1 81 ? 80.305 3.878 76.707 0.67 19.74 ? 85 LEU H CA 1 ATOM 1334 C C . LEU A 1 81 ? 81.672 4.401 76.296 1.00 19.86 ? 85 LEU H C 1 ATOM 1335 O O . LEU A 1 81 ? 82.319 3.835 75.422 1.00 21.20 ? 85 LEU H O 1 ATOM 1336 C CB A LEU A 1 81 ? 80.499 2.587 77.480 0.33 20.01 ? 85 LEU H CB 1 ATOM 1337 C CB B LEU A 1 81 ? 80.519 2.559 77.454 0.67 20.75 ? 85 LEU H CB 1 ATOM 1338 C CG A LEU A 1 81 ? 79.233 1.920 78.008 0.33 20.41 ? 85 LEU H CG 1 ATOM 1339 C CG B LEU A 1 81 ? 79.380 2.016 78.311 0.67 22.49 ? 85 LEU H CG 1 ATOM 1340 C CD1 A LEU A 1 81 ? 79.609 0.715 78.858 0.33 21.54 ? 85 LEU H CD1 1 ATOM 1341 C CD1 B LEU A 1 81 ? 78.114 1.799 77.513 0.67 22.97 ? 85 LEU H CD1 1 ATOM 1342 C CD2 A LEU A 1 81 ? 78.400 2.920 78.797 0.33 20.08 ? 85 LEU H CD2 1 ATOM 1343 C CD2 B LEU A 1 81 ? 79.826 0.720 78.973 0.67 23.70 ? 85 LEU H CD2 1 ATOM 1344 H H A LEU A 1 81 ? 79.541 2.901 75.189 0.33 23.28 ? 85 LEU H H 1 ATOM 1345 H H B LEU A 1 81 ? 79.542 2.903 75.185 0.67 23.28 ? 85 LEU H H 1 ATOM 1346 H HA A LEU A 1 81 ? 79.899 4.541 77.297 0.33 23.63 ? 85 LEU H HA 1 ATOM 1347 H HA B LEU A 1 81 ? 79.897 4.516 77.313 0.67 23.69 ? 85 LEU H HA 1 ATOM 1348 H HB2 A LEU A 1 81 ? 80.938 1.948 76.896 0.33 24.02 ? 85 LEU H HB2 1 ATOM 1349 H HB2 B LEU A 1 81 ? 80.726 1.876 76.796 0.67 24.90 ? 85 LEU H HB2 1 ATOM 1350 H HB3 A LEU A 1 81 ? 81.068 2.768 78.243 0.33 24.02 ? 85 LEU H HB3 1 ATOM 1351 H HB3 B LEU A 1 81 ? 81.283 2.672 78.041 0.67 24.90 ? 85 LEU H HB3 1 ATOM 1352 H HG A LEU A 1 81 ? 78.702 1.608 77.259 0.33 24.49 ? 85 LEU H HG 1 ATOM 1353 H HG B LEU A 1 81 ? 79.183 2.656 79.012 0.67 26.99 ? 85 LEU H HG 1 ATOM 1354 H HD11 A LEU A 1 81 ? 80.157 1.012 79.601 0.33 25.85 ? 85 LEU H HD11 1 ATOM 1355 H HD11 B LEU A 1 81 ? 78.294 1.160 76.806 0.67 27.56 ? 85 LEU H HD11 1 ATOM 1356 H HD12 A LEU A 1 81 ? 78.799 0.298 79.189 0.33 25.85 ? 85 LEU H HD12 1 ATOM 1357 H HD12 B LEU A 1 81 ? 77.425 1.455 78.103 0.67 27.56 ? 85 LEU H HD12 1 ATOM 1358 H HD13 A LEU A 1 81 ? 80.106 0.086 78.311 0.33 25.85 ? 85 LEU H HD13 1 ATOM 1359 H HD13 B LEU A 1 81 ? 77.832 2.645 77.132 0.67 27.56 ? 85 LEU H HD13 1 ATOM 1360 H HD21 A LEU A 1 81 ? 78.156 3.656 78.214 0.33 24.10 ? 85 LEU H HD21 1 ATOM 1361 H HD21 B LEU A 1 81 ? 80.600 0.900 79.529 0.67 28.44 ? 85 LEU H HD21 1 ATOM 1362 H HD22 A LEU A 1 81 ? 77.602 2.476 79.123 0.33 24.10 ? 85 LEU H HD22 1 ATOM 1363 H HD22 B LEU A 1 81 ? 79.100 0.377 79.517 0.67 28.44 ? 85 LEU H HD22 1 ATOM 1364 H HD23 A LEU A 1 81 ? 78.926 3.248 79.543 0.33 24.10 ? 85 LEU H HD23 1 ATOM 1365 H HD23 B LEU A 1 81 ? 80.056 0.077 78.284 0.67 28.44 ? 85 LEU H HD23 1 ATOM 1366 N N . GLU A 1 82 ? 82.107 5.466 76.953 1.00 19.37 ? 86 GLU H N 1 ATOM 1367 C CA . GLU A 1 82 ? 83.469 5.939 76.825 1.00 20.62 ? 86 GLU H CA 1 ATOM 1368 C C . GLU A 1 82 ? 84.420 5.112 77.694 1.00 19.91 ? 86 GLU H C 1 ATOM 1369 O O . GLU A 1 82 ? 85.489 4.704 77.238 1.00 20.25 ? 86 GLU H O 1 ATOM 1370 C CB . GLU A 1 82 ? 83.563 7.410 77.231 1.00 22.52 ? 86 GLU H CB 1 ATOM 1371 C CG . GLU A 1 82 ? 84.962 7.969 77.047 1.00 26.99 ? 86 GLU H CG 1 ATOM 1372 C CD . GLU A 1 82 ? 85.037 9.458 77.295 1.00 32.97 ? 86 GLU H CD 1 ATOM 1373 O OE1 . GLU A 1 82 ? 84.224 10.202 76.710 1.00 35.46 ? 86 GLU H OE1 1 ATOM 1374 O OE2 . GLU A 1 82 ? 85.914 9.887 78.078 1.00 36.34 ? 86 GLU H OE2 1 ATOM 1375 H H . GLU A 1 82 ? 81.622 5.938 77.485 1.00 23.24 ? 86 GLU H H 1 ATOM 1376 H HA . GLU A 1 82 ? 83.752 5.858 75.901 1.00 24.74 ? 86 GLU H HA 1 ATOM 1377 H HB2 . GLU A 1 82 ? 82.956 7.930 76.682 1.00 27.02 ? 86 GLU H HB2 1 ATOM 1378 H HB3 . GLU A 1 82 ? 83.325 7.497 78.167 1.00 27.02 ? 86 GLU H HB3 1 ATOM 1379 H HG2 . GLU A 1 82 ? 85.562 7.531 77.671 1.00 32.39 ? 86 GLU H HG2 1 ATOM 1380 H HG3 . GLU A 1 82 ? 85.251 7.803 76.136 1.00 32.39 ? 86 GLU H HG3 1 ATOM 1381 N N . LYS A 1 83 ? 84.050 4.859 78.949 1.00 18.98 ? 87 LYS H N 1 ATOM 1382 C CA . LYS A 1 83 ? 84.969 4.187 79.853 1.00 18.41 ? 87 LYS H CA 1 ATOM 1383 C C . LYS A 1 83 ? 84.213 3.581 81.030 1.00 16.41 ? 87 LYS H C 1 ATOM 1384 O O . LYS A 1 83 ? 83.269 4.171 81.532 1.00 16.43 ? 87 LYS H O 1 ATOM 1385 C CB . LYS A 1 83 ? 86.015 5.176 80.373 1.00 20.46 ? 87 LYS H CB 1 ATOM 1386 C CG . LYS A 1 83 ? 87.146 4.547 81.167 1.00 23.30 ? 87 LYS H CG 1 ATOM 1387 C CD . LYS A 1 83 ? 88.044 3.682 80.311 1.00 27.46 ? 87 LYS H CD 1 ATOM 1388 C CE . LYS A 1 83 ? 89.186 3.105 81.122 1.00 31.23 ? 87 LYS H CE 1 ATOM 1389 N NZ . LYS A 1 83 ? 89.987 2.162 80.308 1.00 33.67 ? 87 LYS H NZ 1 ATOM 1390 H H . LYS A 1 83 ? 83.288 5.063 79.292 1.00 22.78 ? 87 LYS H H 1 ATOM 1391 H HA . LYS A 1 83 ? 85.426 3.474 79.380 1.00 22.10 ? 87 LYS H HA 1 ATOM 1392 H HB2 . LYS A 1 83 ? 86.409 5.637 79.615 1.00 24.56 ? 87 LYS H HB2 1 ATOM 1393 H HB3 . LYS A 1 83 ? 85.574 5.818 80.951 1.00 24.56 ? 87 LYS H HB3 1 ATOM 1394 H HG2 . LYS A 1 83 ? 87.689 5.250 81.557 1.00 27.96 ? 87 LYS H HG2 1 ATOM 1395 H HG3 . LYS A 1 83 ? 86.771 3.990 81.867 1.00 27.96 ? 87 LYS H HG3 1 ATOM 1396 H HD2 . LYS A 1 83 ? 87.528 2.946 79.946 1.00 32.96 ? 87 LYS H HD2 1 ATOM 1397 H HD3 . LYS A 1 83 ? 88.420 4.218 79.595 1.00 32.96 ? 87 LYS H HD3 1 ATOM 1398 H HE2 . LYS A 1 83 ? 89.767 3.824 81.418 1.00 37.48 ? 87 LYS H HE2 1 ATOM 1399 H HE3 . LYS A 1 83 ? 88.828 2.624 81.885 1.00 37.48 ? 87 LYS H HE3 1 ATOM 1400 H HZ1 . LYS A 1 83 ? 90.327 2.583 79.601 1.00 40.41 ? 87 LYS H HZ1 1 ATOM 1401 H HZ2 . LYS A 1 83 ? 90.654 1.830 80.795 1.00 40.41 ? 87 LYS H HZ2 1 ATOM 1402 H HZ3 . LYS A 1 83 ? 89.474 1.492 80.026 1.00 40.41 ? 87 LYS H HZ3 1 ATOM 1403 N N . ILE A 1 84 ? 84.670 2.401 81.449 1.00 15.90 ? 88 ILE H N 1 ATOM 1404 C CA . ILE A 1 84 ? 84.210 1.709 82.654 1.00 15.82 ? 88 ILE H CA 1 ATOM 1405 C C . ILE A 1 84 ? 85.233 1.907 83.763 1.00 15.22 ? 88 ILE H C 1 ATOM 1406 O O . ILE A 1 84 ? 86.444 1.796 83.535 1.00 16.22 ? 88 ILE H O 1 ATOM 1407 C CB . ILE A 1 84 ? 84.087 0.201 82.366 1.00 17.23 ? 88 ILE H CB 1 ATOM 1408 C CG1 . ILE A 1 84 ? 82.888 -0.075 81.454 1.00 18.29 ? 88 ILE H CG1 1 ATOM 1409 C CG2 . ILE A 1 84 ? 84.013 -0.626 83.647 1.00 18.35 ? 88 ILE H CG2 1 ATOM 1410 C CD1 . ILE A 1 84 ? 83.007 -1.400 80.721 1.00 19.21 ? 88 ILE H CD1 1 ATOM 1411 H H . ILE A 1 84 ? 85.278 1.961 81.028 1.00 19.08 ? 88 ILE H H 1 ATOM 1412 H HA . ILE A 1 84 ? 83.350 2.056 82.939 1.00 18.98 ? 88 ILE H HA 1 ATOM 1413 H HB . ILE A 1 84 ? 84.887 -0.071 81.889 1.00 20.67 ? 88 ILE H HB 1 ATOM 1414 H HG12 . ILE A 1 84 ? 82.081 -0.100 81.990 1.00 21.95 ? 88 ILE H HG12 1 ATOM 1415 H HG13 . ILE A 1 84 ? 82.826 0.630 80.791 1.00 21.95 ? 88 ILE H HG13 1 ATOM 1416 H HG21 . ILE A 1 84 ? 83.236 -0.348 84.157 1.00 22.02 ? 88 ILE H HG21 1 ATOM 1417 H HG22 . ILE A 1 84 ? 83.937 -1.564 83.412 1.00 22.02 ? 88 ILE H HG22 1 ATOM 1418 H HG23 . ILE A 1 84 ? 84.820 -0.479 84.165 1.00 22.02 ? 88 ILE H HG23 1 ATOM 1419 H HD11 . ILE A 1 84 ? 83.063 -2.117 81.373 1.00 23.05 ? 88 ILE H HD11 1 ATOM 1420 H HD12 . ILE A 1 84 ? 82.225 -1.522 80.161 1.00 23.05 ? 88 ILE H HD12 1 ATOM 1421 H HD13 . ILE A 1 84 ? 83.808 -1.387 80.174 1.00 23.05 ? 88 ILE H HD13 1 ATOM 1422 N N . TYR A 1 85 ? 84.752 2.165 84.978 1.00 13.96 ? 89 TYR H N 1 ATOM 1423 C CA . TYR A 1 85 ? 85.586 2.255 86.172 1.00 13.84 ? 89 TYR H CA 1 ATOM 1424 C C . TYR A 1 85 ? 85.017 1.326 87.226 1.00 13.47 ? 89 TYR H C 1 ATOM 1425 O O . TYR A 1 85 ? 83.874 1.465 87.611 1.00 15.33 ? 89 TYR H O 1 ATOM 1426 C CB . TYR A 1 85 ? 85.594 3.695 86.707 1.00 15.49 ? 89 TYR H CB 1 ATOM 1427 C CG . TYR A 1 85 ? 86.039 4.724 85.693 1.00 17.89 ? 89 TYR H CG 1 ATOM 1428 C CD1 . TYR A 1 85 ? 85.134 5.313 84.824 1.00 18.83 ? 89 TYR H CD1 1 ATOM 1429 C CD2 . TYR A 1 85 ? 87.375 5.099 85.601 1.00 21.05 ? 89 TYR H CD2 1 ATOM 1430 C CE1 . TYR A 1 85 ? 85.546 6.247 83.892 1.00 21.32 ? 89 TYR H CE1 1 ATOM 1431 C CE2 . TYR A 1 85 ? 87.794 6.033 84.673 1.00 23.26 ? 89 TYR H CE2 1 ATOM 1432 C CZ . TYR A 1 85 ? 86.870 6.608 83.827 1.00 23.85 ? 89 TYR H CZ 1 ATOM 1433 O OH . TYR A 1 85 ? 87.276 7.538 82.897 1.00 27.72 ? 89 TYR H OH 1 ATOM 1434 H H . TYR A 1 85 ? 83.917 2.296 85.139 1.00 16.76 ? 89 TYR H H 1 ATOM 1435 H HA . TYR A 1 85 ? 86.495 1.986 85.967 1.00 16.60 ? 89 TYR H HA 1 ATOM 1436 H HB2 . TYR A 1 85 ? 84.696 3.928 86.990 1.00 18.59 ? 89 TYR H HB2 1 ATOM 1437 H HB3 . TYR A 1 85 ? 86.199 3.744 87.464 1.00 18.59 ? 89 TYR H HB3 1 ATOM 1438 H HD1 . TYR A 1 85 ? 84.236 5.075 84.867 1.00 22.60 ? 89 TYR H HD1 1 ATOM 1439 H HD2 . TYR A 1 85 ? 87.998 4.714 86.174 1.00 25.26 ? 89 TYR H HD2 1 ATOM 1440 H HE1 . TYR A 1 85 ? 84.927 6.638 83.317 1.00 25.58 ? 89 TYR H HE1 1 ATOM 1441 H HE2 . TYR A 1 85 ? 88.690 6.277 84.625 1.00 27.91 ? 89 TYR H HE2 1 ATOM 1442 H HH . TYR A 1 85 ? 88.103 7.668 82.962 1.00 33.27 ? 89 TYR H HH 1 ATOM 1443 N N . ILE A 1 86 ? 85.822 0.381 87.667 1.00 13.17 ? 90 ILE H N 1 ATOM 1444 C CA A ILE A 1 86 ? 85.477 -0.607 88.679 0.49 13.08 ? 90 ILE H CA 1 ATOM 1445 C CA B ILE A 1 86 ? 85.408 -0.524 88.716 0.51 12.79 ? 90 ILE H CA 1 ATOM 1446 C C . ILE A 1 86 ? 86.167 -0.197 89.988 1.00 12.40 ? 90 ILE H C 1 ATOM 1447 O O . ILE A 1 86 ? 87.331 0.170 89.965 1.00 13.28 ? 90 ILE H O 1 ATOM 1448 C CB A ILE A 1 86 ? 86.029 -2.017 88.273 0.49 13.88 ? 90 ILE H CB 1 ATOM 1449 C CB B ILE A 1 86 ? 85.647 -1.961 88.281 0.51 13.38 ? 90 ILE H CB 1 ATOM 1450 C CG1 A ILE A 1 86 ? 85.586 -2.456 86.862 0.49 14.16 ? 90 ILE H CG1 1 ATOM 1451 C CG1 B ILE A 1 86 ? 84.782 -2.244 87.056 0.51 14.15 ? 90 ILE H CG1 1 ATOM 1452 C CG2 A ILE A 1 86 ? 85.670 -3.067 89.309 0.49 14.08 ? 90 ILE H CG2 1 ATOM 1453 C CG2 B ILE A 1 86 ? 85.362 -2.933 89.430 0.51 14.58 ? 90 ILE H CG2 1 ATOM 1454 C CD1 A ILE A 1 86 ? 84.115 -2.722 86.682 0.49 14.17 ? 90 ILE H CD1 1 ATOM 1455 C CD1 B ILE A 1 86 ? 85.071 -3.545 86.431 0.51 14.63 ? 90 ILE H CD1 1 ATOM 1456 H H A ILE A 1 86 ? 86.626 0.284 87.378 0.49 15.80 ? 90 ILE H H 1 ATOM 1457 H H B ILE A 1 86 ? 86.619 0.242 87.374 0.51 15.80 ? 90 ILE H H 1 ATOM 1458 H HA A ILE A 1 86 ? 84.517 -0.651 88.809 0.49 15.69 ? 90 ILE H HA 1 ATOM 1459 H HA B ILE A 1 86 ? 84.460 -0.409 88.887 0.51 15.35 ? 90 ILE H HA 1 ATOM 1460 H HB A ILE A 1 86 ? 86.996 -1.950 88.259 0.49 16.66 ? 90 ILE H HB 1 ATOM 1461 H HB B ILE A 1 86 ? 86.578 -2.054 88.027 0.51 16.06 ? 90 ILE H HB 1 ATOM 1462 H HG12 A ILE A 1 86 ? 85.833 -1.759 86.235 0.49 16.99 ? 90 ILE H HG12 1 ATOM 1463 H HG12 B ILE A 1 86 ? 83.849 -2.241 87.321 0.51 16.98 ? 90 ILE H HG12 1 ATOM 1464 H HG13 A ILE A 1 86 ? 86.057 -3.274 86.636 0.49 16.99 ? 90 ILE H HG13 1 ATOM 1465 H HG13 B ILE A 1 86 ? 84.940 -1.553 86.393 0.51 16.98 ? 90 ILE H HG13 1 ATOM 1466 H HG21 A ILE A 1 86 ? 84.704 -3.118 89.385 0.49 16.89 ? 90 ILE H HG21 1 ATOM 1467 H HG21 B ILE A 1 86 ? 84.437 -2.835 89.704 0.51 17.49 ? 90 ILE H HG21 1 ATOM 1468 H HG22 A ILE A 1 86 ? 86.026 -3.924 89.026 0.49 16.89 ? 90 ILE H HG22 1 ATOM 1469 H HG22 B ILE A 1 86 ? 85.522 -3.839 89.123 0.51 17.49 ? 90 ILE H HG22 1 ATOM 1470 H HG23 A ILE A 1 86 ? 86.056 -2.813 90.162 0.49 16.89 ? 90 ILE H HG23 1 ATOM 1471 H HG23 B ILE A 1 86 ? 85.951 -2.725 90.172 0.51 17.49 ? 90 ILE H HG23 1 ATOM 1472 H HD11 A ILE A 1 86 ? 83.622 -1.912 86.883 0.49 17.00 ? 90 ILE H HD11 1 ATOM 1473 H HD11 B ILE A 1 86 ? 84.909 -4.249 87.079 0.51 17.55 ? 90 ILE H HD11 1 ATOM 1474 H HD12 A ILE A 1 86 ? 83.954 -2.989 85.764 0.49 17.00 ? 90 ILE H HD12 1 ATOM 1475 H HD12 B ILE A 1 86 ? 84.491 -3.662 85.662 0.51 17.55 ? 90 ILE H HD12 1 ATOM 1476 H HD13 A ILE A 1 86 ? 83.847 -3.432 87.286 0.49 17.00 ? 90 ILE H HD13 1 ATOM 1477 H HD13 B ILE A 1 86 ? 86.000 -3.560 86.151 0.51 17.55 ? 90 ILE H HD13 1 ATOM 1478 N N . HIS A 1 87 ? 85.490 -0.294 91.123 1.00 11.93 ? 91 HIS H N 1 ATOM 1479 C CA . HIS A 1 87 ? 86.157 0.025 92.376 1.00 12.26 ? 91 HIS H CA 1 ATOM 1480 C C . HIS A 1 87 ? 87.430 -0.830 92.505 1.00 12.31 ? 91 HIS H C 1 ATOM 1481 O O . HIS A 1 87 ? 87.386 -2.037 92.295 1.00 12.37 ? 91 HIS H O 1 ATOM 1482 C CB . HIS A 1 87 ? 85.248 -0.267 93.562 1.00 12.39 ? 91 HIS H CB 1 ATOM 1483 C CG . HIS A 1 87 ? 85.721 0.364 94.841 1.00 12.39 ? 91 HIS H CG 1 ATOM 1484 N ND1 . HIS A 1 87 ? 86.842 -0.054 95.528 1.00 12.54 ? 91 HIS H ND1 1 ATOM 1485 C CD2 . HIS A 1 87 ? 85.211 1.405 95.545 1.00 12.88 ? 91 HIS H CD2 1 ATOM 1486 C CE1 . HIS A 1 87 ? 87.020 0.732 96.577 1.00 12.57 ? 91 HIS H CE1 1 ATOM 1487 N NE2 . HIS A 1 87 ? 86.036 1.615 96.618 1.00 13.75 ? 91 HIS H NE2 1 ATOM 1488 H H . HIS A 1 87 ? 84.668 -0.535 91.196 1.00 14.32 ? 91 HIS H H 1 ATOM 1489 H HA . HIS A 1 87 ? 86.404 0.962 92.390 1.00 14.71 ? 91 HIS H HA 1 ATOM 1490 H HB2 . HIS A 1 87 ? 84.361 0.076 93.370 1.00 14.87 ? 91 HIS H HB2 1 ATOM 1491 H HB3 . HIS A 1 87 ? 85.209 -1.226 93.700 1.00 14.87 ? 91 HIS H HB3 1 ATOM 1492 H HD2 . HIS A 1 87 ? 84.453 1.900 95.328 1.00 15.46 ? 91 HIS H HD2 1 ATOM 1493 H HE1 . HIS A 1 87 ? 87.699 0.649 97.207 1.00 15.08 ? 91 HIS H HE1 1 ATOM 1494 N N . PRO A 1 88 ? 88.556 -0.208 92.871 1.00 13.49 ? 92 PRO H N 1 ATOM 1495 C CA . PRO A 1 88 ? 89.818 -0.958 92.883 1.00 14.34 ? 92 PRO H CA 1 ATOM 1496 C C . PRO A 1 88 ? 89.870 -2.038 93.942 1.00 14.44 ? 92 PRO H C 1 ATOM 1497 O O . PRO A 1 88 ? 90.737 -2.916 93.863 1.00 16.40 ? 92 PRO H O 1 ATOM 1498 C CB . PRO A 1 88 ? 90.866 0.127 93.157 1.00 16.53 ? 92 PRO H CB 1 ATOM 1499 C CG . PRO A 1 88 ? 90.114 1.232 93.795 1.00 17.50 ? 92 PRO H CG 1 ATOM 1500 C CD . PRO A 1 88 ? 88.780 1.219 93.151 1.00 15.48 ? 92 PRO H CD 1 ATOM 1501 H HA . PRO A 1 88 ? 89.984 -1.353 92.012 1.00 17.21 ? 92 PRO H HA 1 ATOM 1502 H HB2 . PRO A 1 88 ? 91.545 -0.218 93.758 1.00 19.84 ? 92 PRO H HB2 1 ATOM 1503 H HB3 . PRO A 1 88 ? 91.262 0.418 92.321 1.00 19.84 ? 92 PRO H HB3 1 ATOM 1504 H HG2 . PRO A 1 88 ? 90.036 1.067 94.747 1.00 21.00 ? 92 PRO H HG2 1 ATOM 1505 H HG3 . PRO A 1 88 ? 90.566 2.073 93.628 1.00 21.00 ? 92 PRO H HG3 1 ATOM 1506 H HD2 . PRO A 1 88 ? 88.105 1.554 93.762 1.00 18.57 ? 92 PRO H HD2 1 ATOM 1507 H HD3 . PRO A 1 88 ? 88.797 1.727 92.325 1.00 18.57 ? 92 PRO H HD3 1 ATOM 1508 N N . ARG A 1 89 ? 88.998 -1.960 94.942 1.00 12.36 ? 93 ARG H N 1 ATOM 1509 C CA . ARG A 1 89 ? 88.937 -2.985 95.988 1.00 12.05 ? 93 ARG H CA 1 ATOM 1510 C C . ARG A 1 89 ? 87.655 -3.813 95.897 1.00 11.90 ? 93 ARG H C 1 ATOM 1511 O O . ARG A 1 89 ? 87.283 -4.482 96.857 1.00 12.57 ? 93 ARG H O 1 ATOM 1512 C CB . ARG A 1 89 ? 89.135 -2.361 97.368 1.00 12.91 ? 93 ARG H CB 1 ATOM 1513 C CG . ARG A 1 89 ? 90.463 -1.637 97.521 1.00 14.38 ? 93 ARG H CG 1 ATOM 1514 C CD . ARG A 1 89 ? 90.695 -1.148 98.948 1.00 15.27 ? 93 ARG H CD 1 ATOM 1515 N NE . ARG A 1 89 ? 90.797 -2.251 99.888 1.00 15.35 ? 93 ARG H NE 1 ATOM 1516 C CZ . ARG A 1 89 ? 90.800 -2.116 101.212 1.00 14.79 ? 93 ARG H CZ 1 ATOM 1517 N NH1 . ARG A 1 89 ? 90.661 -0.929 101.765 1.00 16.05 ? 93 ARG H NH1 1 ATOM 1518 N NH2 . ARG A 1 89 ? 90.894 -3.180 101.979 1.00 15.86 ? 93 ARG H NH2 1 ATOM 1519 H H . ARG A 1 89 ? 88.428 -1.323 95.041 1.00 14.84 ? 93 ARG H H 1 ATOM 1520 H HA . ARG A 1 89 ? 89.677 -3.597 95.848 1.00 14.46 ? 93 ARG H HA 1 ATOM 1521 H HB2 . ARG A 1 89 ? 88.426 -1.718 97.525 1.00 15.49 ? 93 ARG H HB2 1 ATOM 1522 H HB3 . ARG A 1 89 ? 89.099 -3.062 98.037 1.00 15.49 ? 93 ARG H HB3 1 ATOM 1523 H HG2 . ARG A 1 89 ? 91.183 -2.243 97.289 1.00 17.25 ? 93 ARG H HG2 1 ATOM 1524 H HG3 . ARG A 1 89 ? 90.473 -0.865 96.933 1.00 17.25 ? 93 ARG H HG3 1 ATOM 1525 H HD2 . ARG A 1 89 ? 91.523 -0.644 98.981 1.00 18.33 ? 93 ARG H HD2 1 ATOM 1526 H HD3 . ARG A 1 89 ? 89.951 -0.587 99.218 1.00 18.33 ? 93 ARG H HD3 1 ATOM 1527 H HE . ARG A 1 89 ? 90.860 -3.046 99.567 1.00 18.42 ? 93 ARG H HE 1 ATOM 1528 H HH11 . ARG A 1 89 ? 90.594 -0.229 101.270 1.00 19.26 ? 93 ARG H HH11 1 ATOM 1529 H HH12 . ARG A 1 89 ? 90.656 -0.852 102.621 1.00 19.26 ? 93 ARG H HH12 1 ATOM 1530 H HH21 . ARG A 1 89 ? 90.977 -3.960 101.625 1.00 19.03 ? 93 ARG H HH21 1 ATOM 1531 H HH22 . ARG A 1 89 ? 90.886 -3.096 102.835 1.00 19.03 ? 93 ARG H HH22 1 ATOM 1532 N N . TYR A 1 90 ? 86.999 -3.825 94.740 1.00 11.24 ? 94 TYR H N 1 ATOM 1533 C CA . TYR A 1 90 ? 85.895 -4.758 94.498 1.00 11.05 ? 94 TYR H CA 1 ATOM 1534 C C . TYR A 1 90 ? 86.372 -6.192 94.703 1.00 11.49 ? 94 TYR H C 1 ATOM 1535 O O . TYR A 1 90 ? 87.328 -6.639 94.064 1.00 13.52 ? 94 TYR H O 1 ATOM 1536 C CB . TYR A 1 90 ? 85.349 -4.545 93.090 1.00 11.03 ? 94 TYR H CB 1 ATOM 1537 C CG . TYR A 1 90 ? 84.535 -5.668 92.524 1.00 10.63 ? 94 TYR H CG 1 ATOM 1538 C CD1 . TYR A 1 90 ? 83.427 -6.178 93.175 1.00 10.34 ? 94 TYR H CD1 1 ATOM 1539 C CD2 . TYR A 1 90 ? 84.853 -6.191 91.267 1.00 10.94 ? 94 TYR H CD2 1 ATOM 1540 C CE1 . TYR A 1 90 ? 82.674 -7.203 92.608 1.00 10.20 ? 94 TYR H CE1 1 ATOM 1541 C CE2 . TYR A 1 90 ? 84.102 -7.185 90.701 1.00 10.78 ? 94 TYR H CE2 1 ATOM 1542 C CZ . TYR A 1 90 ? 83.027 -7.706 91.359 1.00 10.79 ? 94 TYR H CZ 1 ATOM 1543 O OH . TYR A 1 90 ? 82.254 -8.717 90.827 1.00 11.37 ? 94 TYR H OH 1 ATOM 1544 H H . TYR A 1 90 ? 87.172 -3.305 94.077 1.00 13.49 ? 94 TYR H H 1 ATOM 1545 H HA . TYR A 1 90 ? 85.181 -4.581 95.131 1.00 13.26 ? 94 TYR H HA 1 ATOM 1546 H HB2 . TYR A 1 90 ? 84.786 -3.755 93.098 1.00 13.24 ? 94 TYR H HB2 1 ATOM 1547 H HB3 . TYR A 1 90 ? 86.098 -4.401 92.491 1.00 13.24 ? 94 TYR H HB3 1 ATOM 1548 H HD1 . TYR A 1 90 ? 83.192 -5.844 94.011 1.00 12.41 ? 94 TYR H HD1 1 ATOM 1549 H HD2 . TYR A 1 90 ? 85.583 -5.850 90.803 1.00 13.13 ? 94 TYR H HD2 1 ATOM 1550 H HE1 . TYR A 1 90 ? 81.937 -7.547 93.059 1.00 12.24 ? 94 TYR H HE1 1 ATOM 1551 H HE2 . TYR A 1 90 ? 84.342 -7.527 89.870 1.00 12.94 ? 94 TYR H HE2 1 ATOM 1552 H HH . TYR A 1 90 ? 82.553 -8.943 90.076 1.00 13.64 ? 94 TYR H HH 1 ATOM 1553 N N . ASN A 1 91 ? 85.710 -6.911 95.599 1.00 11.11 ? 95 ASN H N 1 ATOM 1554 C CA . ASN A 1 91 ? 86.124 -8.268 95.969 1.00 11.47 ? 95 ASN H CA 1 ATOM 1555 C C . ASN A 1 91 ? 85.254 -9.305 95.270 1.00 11.55 ? 95 ASN H C 1 ATOM 1556 O O . ASN A 1 91 ? 84.255 -9.766 95.809 1.00 13.07 ? 95 ASN H O 1 ATOM 1557 C CB . ASN A 1 91 ? 86.038 -8.418 97.478 1.00 12.07 ? 95 ASN H CB 1 ATOM 1558 C CG . ASN A 1 91 ? 86.613 -9.714 97.968 1.00 12.87 ? 95 ASN H CG 1 ATOM 1559 O OD1 . ASN A 1 91 ? 86.846 -10.649 97.213 1.00 14.38 ? 95 ASN H OD1 1 ATOM 1560 N ND2 . ASN A 1 91 ? 86.829 -9.778 99.260 1.00 13.89 ? 95 ASN H ND2 1 ATOM 1561 H H . ASN A 1 91 ? 85.008 -6.637 96.015 1.00 13.33 ? 95 ASN H H 1 ATOM 1562 H HA . ASN A 1 91 ? 87.046 -8.409 95.699 1.00 13.77 ? 95 ASN H HA 1 ATOM 1563 H HB2 . ASN A 1 91 ? 86.531 -7.694 97.896 1.00 14.49 ? 95 ASN H HB2 1 ATOM 1564 H HB3 . ASN A 1 91 ? 85.107 -8.382 97.746 1.00 14.49 ? 95 ASN H HB3 1 ATOM 1565 H HD21 . ASN A 1 91 ? 86.643 -9.104 99.760 1.00 16.67 ? 95 ASN H HD21 1 ATOM 1566 H HD22 . ASN A 1 91 ? 87.157 -10.493 99.606 1.00 16.67 ? 95 ASN H HD22 1 ATOM 1567 N N . TRP A 1 92 ? 85.618 -9.645 94.040 1.00 11.25 ? 96 TRP H N 1 ATOM 1568 C CA . TRP A 1 92 ? 84.902 -10.673 93.296 1.00 11.93 ? 96 TRP H CA 1 ATOM 1569 C C . TRP A 1 92 ? 85.312 -12.073 93.769 1.00 12.48 ? 96 TRP H C 1 ATOM 1570 O O . TRP A 1 92 ? 84.630 -13.048 93.467 1.00 14.27 ? 96 TRP H O 1 ATOM 1571 C CB . TRP A 1 92 ? 85.135 -10.565 91.796 1.00 12.59 ? 96 TRP H CB 1 ATOM 1572 C CG . TRP A 1 92 ? 86.551 -10.474 91.359 1.00 12.39 ? 96 TRP H CG 1 ATOM 1573 C CD1 . TRP A 1 92 ? 87.252 -9.343 91.107 1.00 13.82 ? 96 TRP H CD1 1 ATOM 1574 C CD2 . TRP A 1 92 ? 87.450 -11.561 91.116 1.00 12.36 ? 96 TRP H CD2 1 ATOM 1575 N NE1 . TRP A 1 92 ? 88.520 -9.640 90.689 1.00 14.57 ? 96 TRP H NE1 1 ATOM 1576 C CE2 . TRP A 1 92 ? 88.674 -11.002 90.694 1.00 13.93 ? 96 TRP H CE2 1 ATOM 1577 C CE3 . TRP A 1 92 ? 87.321 -12.944 91.174 1.00 13.04 ? 96 TRP H CE3 1 ATOM 1578 C CZ2 . TRP A 1 92 ? 89.765 -11.787 90.326 1.00 15.12 ? 96 TRP H CZ2 1 ATOM 1579 C CZ3 . TRP A 1 92 ? 88.412 -13.729 90.824 1.00 14.53 ? 96 TRP H CZ3 1 ATOM 1580 C CH2 . TRP A 1 92 ? 89.613 -13.144 90.417 1.00 15.02 ? 96 TRP H CH2 1 ATOM 1581 H H . TRP A 1 92 ? 86.277 -9.294 93.612 1.00 13.50 ? 96 TRP H H 1 ATOM 1582 H HA . TRP A 1 92 ? 83.951 -10.571 93.458 1.00 14.31 ? 96 TRP H HA 1 ATOM 1583 H HB2 . TRP A 1 92 ? 84.752 -11.349 91.372 1.00 15.11 ? 96 TRP H HB2 1 ATOM 1584 H HB3 . TRP A 1 92 ? 84.682 -9.771 91.474 1.00 15.11 ? 96 TRP H HB3 1 ATOM 1585 H HD1 . TRP A 1 92 ? 86.912 -8.481 91.191 1.00 16.58 ? 96 TRP H HD1 1 ATOM 1586 H HE1 . TRP A 1 92 ? 89.128 -9.067 90.483 1.00 17.48 ? 96 TRP H HE1 1 ATOM 1587 H HE3 . TRP A 1 92 ? 86.518 -13.336 91.432 1.00 15.65 ? 96 TRP H HE3 1 ATOM 1588 H HZ2 . TRP A 1 92 ? 90.572 -11.405 90.068 1.00 18.15 ? 96 TRP H HZ2 1 ATOM 1589 H HZ3 . TRP A 1 92 ? 88.344 -14.655 90.870 1.00 17.43 ? 96 TRP H HZ3 1 ATOM 1590 H HH2 . TRP A 1 92 ? 90.331 -13.694 90.201 1.00 18.03 ? 96 TRP H HH2 1 ATOM 1591 N N . ARG A 1 93 ? 86.408 -12.180 94.505 1.00 12.50 ? 97 ARG H N 1 ATOM 1592 C CA A ARG A 1 93 ? 86.901 -13.492 94.905 0.56 13.34 ? 97 ARG H CA 1 ATOM 1593 C CA B ARG A 1 93 ? 86.920 -13.485 94.915 0.44 13.28 ? 97 ARG H CA 1 ATOM 1594 C C . ARG A 1 93 ? 86.061 -14.124 95.993 1.00 13.99 ? 97 ARG H C 1 ATOM 1595 O O . ARG A 1 93 ? 85.874 -15.345 95.991 1.00 15.85 ? 97 ARG H O 1 ATOM 1596 C CB A ARG A 1 93 ? 88.348 -13.409 95.361 0.56 14.09 ? 97 ARG H CB 1 ATOM 1597 C CB B ARG A 1 93 ? 88.360 -13.383 95.424 0.44 13.86 ? 97 ARG H CB 1 ATOM 1598 C CG A ARG A 1 93 ? 89.304 -13.207 94.229 0.56 15.01 ? 97 ARG H CG 1 ATOM 1599 C CG B ARG A 1 93 ? 89.388 -13.004 94.369 0.44 14.37 ? 97 ARG H CG 1 ATOM 1600 C CD A ARG A 1 93 ? 90.720 -13.038 94.710 0.56 16.10 ? 97 ARG H CD 1 ATOM 1601 C CD B ARG A 1 93 ? 90.816 -13.211 94.871 0.44 14.81 ? 97 ARG H CD 1 ATOM 1602 N NE A ARG A 1 93 ? 91.633 -12.977 93.575 0.56 17.77 ? 97 ARG H NE 1 ATOM 1603 N NE B ARG A 1 93 ? 91.067 -14.634 95.072 0.44 15.05 ? 97 ARG H NE 1 ATOM 1604 C CZ A ARG A 1 93 ? 92.101 -14.039 92.933 0.56 20.00 ? 97 ARG H CZ 1 ATOM 1605 C CZ B ARG A 1 93 ? 91.386 -15.483 94.099 0.44 15.30 ? 97 ARG H CZ 1 ATOM 1606 N NH1 A ARG A 1 93 ? 91.765 -15.262 93.320 0.56 19.94 ? 97 ARG H NH1 1 ATOM 1607 N NH1 B ARG A 1 93 ? 91.554 -15.051 92.851 0.44 16.31 ? 97 ARG H NH1 1 ATOM 1608 N NH2 A ARG A 1 93 ? 92.910 -13.871 91.905 0.56 21.59 ? 97 ARG H NH2 1 ATOM 1609 N NH2 B ARG A 1 93 ? 91.536 -16.761 94.381 0.44 16.36 ? 97 ARG H NH2 1 ATOM 1610 H H A ARG A 1 93 ? 86.881 -11.518 94.784 0.56 15.00 ? 97 ARG H H 1 ATOM 1611 H H B ARG A 1 93 ? 86.877 -11.513 94.782 0.44 15.00 ? 97 ARG H H 1 ATOM 1612 H HA A ARG A 1 93 ? 86.871 -14.080 94.135 0.56 16.01 ? 97 ARG H HA 1 ATOM 1613 H HA B ARG A 1 93 ? 86.919 -14.076 94.146 0.44 15.93 ? 97 ARG H HA 1 ATOM 1614 H HB2 A ARG A 1 93 ? 88.445 -12.662 95.972 0.56 16.91 ? 97 ARG H HB2 1 ATOM 1615 H HB2 B ARG A 1 93 ? 88.394 -12.709 96.121 0.44 16.63 ? 97 ARG H HB2 1 ATOM 1616 H HB3 A ARG A 1 93 ? 88.586 -14.236 95.809 0.56 16.91 ? 97 ARG H HB3 1 ATOM 1617 H HB3 B ARG A 1 93 ? 88.620 -14.243 95.790 0.44 16.63 ? 97 ARG H HB3 1 ATOM 1618 H HG2 A ARG A 1 93 ? 89.273 -13.981 93.645 0.56 18.01 ? 97 ARG H HG2 1 ATOM 1619 H HG2 B ARG A 1 93 ? 89.259 -13.559 93.584 0.44 17.25 ? 97 ARG H HG2 1 ATOM 1620 H HG3 A ARG A 1 93 ? 89.053 -12.408 93.740 0.56 18.01 ? 97 ARG H HG3 1 ATOM 1621 H HG3 B ARG A 1 93 ? 89.280 -12.068 94.139 0.44 17.25 ? 97 ARG H HG3 1 ATOM 1622 H HD2 A ARG A 1 93 ? 90.796 -12.211 95.211 0.56 19.32 ? 97 ARG H HD2 1 ATOM 1623 H HD2 B ARG A 1 93 ? 91.444 -12.876 94.212 0.44 17.77 ? 97 ARG H HD2 1 ATOM 1624 H HD3 A ARG A 1 93 ? 90.967 -13.795 95.264 0.56 19.32 ? 97 ARG H HD3 1 ATOM 1625 H HD3 B ARG A 1 93 ? 90.932 -12.754 95.718 0.44 17.77 ? 97 ARG H HD3 1 ATOM 1626 H HE A ARG A 1 93 ? 91.884 -12.201 93.304 0.56 21.33 ? 97 ARG H HE 1 ATOM 1627 H HE B ARG A 1 93 ? 91.005 -14.944 95.872 0.44 18.06 ? 97 ARG H HE 1 ATOM 1628 H HH11 A ARG A 1 93 ? 91.234 -15.371 93.988 0.56 23.93 ? 97 ARG H HH11 1 ATOM 1629 H HH11 B ARG A 1 93 ? 91.441 -14.219 92.665 0.44 19.57 ? 97 ARG H HH11 1 ATOM 1630 H HH12 A ARG A 1 93 ? 92.075 -15.946 92.901 0.56 23.93 ? 97 ARG H HH12 1 ATOM 1631 H HH12 B ARG A 1 93 ? 91.768 -15.605 92.229 0.44 19.57 ? 97 ARG H HH12 1 ATOM 1632 H HH21 A ARG A 1 93 ? 93.132 -13.078 91.657 0.56 25.90 ? 97 ARG H HH21 1 ATOM 1633 H HH21 B ARG A 1 93 ? 91.440 -17.036 95.190 0.44 19.63 ? 97 ARG H HH21 1 ATOM 1634 H HH22 A ARG A 1 93 ? 93.225 -14.555 91.489 0.56 25.90 ? 97 ARG H HH22 1 ATOM 1635 H HH22 B ARG A 1 93 ? 91.767 -17.313 93.764 0.44 19.63 ? 97 ARG H HH22 1 ATOM 1636 N N . GLU A 1 94 A 85.535 -13.298 96.897 1.00 14.21 ? 97 GLU H N 1 ATOM 1637 C CA . GLU A 1 94 A 84.874 -13.803 98.099 1.00 14.65 ? 97 GLU H CA 1 ATOM 1638 C C . GLU A 1 94 A 83.388 -13.473 98.203 1.00 14.99 ? 97 GLU H C 1 ATOM 1639 O O . GLU A 1 94 A 82.543 -14.365 98.089 1.00 19.32 ? 97 GLU H O 1 ATOM 1640 C CB . GLU A 1 94 A 85.574 -13.289 99.360 1.00 15.63 ? 97 GLU H CB 1 ATOM 1641 C CG . GLU A 1 94 A 85.028 -13.943 100.635 1.00 18.66 ? 97 GLU H CG 1 ATOM 1642 C CD . GLU A 1 94 A 85.413 -13.264 101.929 1.00 20.92 ? 97 GLU H CD 1 ATOM 1643 O OE1 . GLU A 1 94 A 86.423 -12.520 101.982 1.00 23.52 ? 97 GLU H OE1 1 ATOM 1644 O OE2 . GLU A 1 94 A 84.689 -13.509 102.925 1.00 20.62 ? 97 GLU H OE2 1 ATOM 1645 H H . GLU A 1 94 A 85.548 -12.440 96.838 1.00 17.05 ? 97 GLU H H 1 ATOM 1646 H HA . GLU A 1 94 A 84.952 -14.770 98.101 1.00 17.58 ? 97 GLU H HA 1 ATOM 1647 H HB2 . GLU A 1 94 A 86.522 -13.489 99.301 1.00 18.75 ? 97 GLU H HB2 1 ATOM 1648 H HB3 . GLU A 1 94 A 85.439 -12.331 99.431 1.00 18.75 ? 97 GLU H HB3 1 ATOM 1649 H HG2 . GLU A 1 94 A 84.059 -13.949 100.587 1.00 22.39 ? 97 GLU H HG2 1 ATOM 1650 H HG3 . GLU A 1 94 A 85.355 -14.856 100.677 1.00 22.39 ? 97 GLU H HG3 1 ATOM 1651 N N . ASN A 1 95 ? 83.058 -12.217 98.471 1.00 12.81 ? 98 ASN H N 1 ATOM 1652 C CA . ASN A 1 95 ? 81.711 -11.857 98.885 1.00 12.05 ? 98 ASN H CA 1 ATOM 1653 C C . ASN A 1 95 ? 81.123 -10.650 98.180 1.00 11.40 ? 98 ASN H C 1 ATOM 1654 O O . ASN A 1 95 ? 80.114 -10.131 98.625 1.00 11.95 ? 98 ASN H O 1 ATOM 1655 C CB . ASN A 1 95 ? 81.678 -11.611 100.403 1.00 11.94 ? 98 ASN H CB 1 ATOM 1656 C CG . ASN A 1 95 ? 82.618 -10.519 100.828 1.00 10.95 ? 98 ASN H CG 1 ATOM 1657 O OD1 . ASN A 1 95 ? 83.361 -9.968 100.014 1.00 10.76 ? 98 ASN H OD1 1 ATOM 1658 N ND2 . ASN A 1 95 ? 82.575 -10.166 102.109 1.00 11.91 ? 98 ASN H ND2 1 ATOM 1659 H H . ASN A 1 95 ? 83.600 -11.551 98.420 1.00 15.37 ? 98 ASN H H 1 ATOM 1660 H HA . ASN A 1 95 ? 81.127 -12.609 98.701 1.00 14.47 ? 98 ASN H HA 1 ATOM 1661 H HB2 . ASN A 1 95 ? 80.780 -11.353 100.663 1.00 14.32 ? 98 ASN H HB2 1 ATOM 1662 H HB3 . ASN A 1 95 ? 81.936 -12.426 100.862 1.00 14.32 ? 98 ASN H HB3 1 ATOM 1663 H HD21 . ASN A 1 95 ? 82.029 -10.559 102.645 1.00 14.29 ? 98 ASN H HD21 1 ATOM 1664 H HD22 . ASN A 1 95 ? 83.094 -9.546 102.401 1.00 14.29 ? 98 ASN H HD22 1 ATOM 1665 N N . LEU A 1 96 ? 81.742 -10.208 97.085 1.00 10.76 ? 99 LEU H N 1 ATOM 1666 C CA . LEU A 1 96 ? 81.279 -9.037 96.343 1.00 10.55 ? 99 LEU H CA 1 ATOM 1667 C C . LEU A 1 96 ? 81.354 -7.758 97.195 1.00 10.38 ? 99 LEU H C 1 ATOM 1668 O O . LEU A 1 96 ? 80.609 -6.793 96.957 1.00 10.84 ? 99 LEU H O 1 ATOM 1669 C CB . LEU A 1 96 ? 79.875 -9.222 95.779 1.00 13.09 ? 99 LEU H CB 1 ATOM 1670 C CG . LEU A 1 96 ? 79.614 -10.342 94.804 1.00 15.83 ? 99 LEU H CG 1 ATOM 1671 C CD1 . LEU A 1 96 ? 78.265 -10.093 94.129 1.00 15.23 ? 99 LEU H CD1 1 ATOM 1672 C CD2 . LEU A 1 96 ? 80.688 -10.566 93.783 1.00 14.17 ? 99 LEU H CD2 1 ATOM 1673 H H . LEU A 1 96 ? 82.443 -10.575 96.748 1.00 12.91 ? 99 LEU H H 1 ATOM 1674 H HA . LEU A 1 96 ? 81.872 -8.909 95.587 1.00 12.66 ? 99 LEU H HA 1 ATOM 1675 H HB2 . LEU A 1 96 ? 79.273 -9.360 96.528 1.00 15.71 ? 99 LEU H HB2 1 ATOM 1676 H HB3 . LEU A 1 96 ? 79.629 -8.399 95.329 1.00 15.71 ? 99 LEU H HB3 1 ATOM 1677 H HG . LEU A 1 96 ? 79.531 -11.165 95.310 1.00 19.00 ? 99 LEU H HG 1 ATOM 1678 H HD11 . LEU A 1 96 ? 78.297 -9.244 93.663 1.00 18.28 ? 99 LEU H HD11 1 ATOM 1679 H HD12 . LEU A 1 96 ? 78.091 -10.810 93.500 1.00 18.28 ? 99 LEU H HD12 1 ATOM 1680 H HD13 . LEU A 1 96 ? 77.573 -10.073 94.808 1.00 18.28 ? 99 LEU H HD13 1 ATOM 1681 H HD21 . LEU A 1 96 ? 81.517 -10.779 94.239 1.00 17.00 ? 99 LEU H HD21 1 ATOM 1682 H HD22 . LEU A 1 96 ? 80.428 -11.302 93.207 1.00 17.00 ? 99 LEU H HD22 1 ATOM 1683 H HD23 . LEU A 1 96 ? 80.798 -9.757 93.258 1.00 17.00 ? 99 LEU H HD23 1 ATOM 1684 N N . ASP A 1 97 ? 82.290 -7.691 98.139 1.00 9.91 ? 100 ASP H N 1 ATOM 1685 C CA . ASP A 1 97 ? 82.504 -6.442 98.867 1.00 9.68 ? 100 ASP H CA 1 ATOM 1686 C C . ASP A 1 97 ? 82.829 -5.319 97.872 1.00 9.76 ? 100 ASP H C 1 ATOM 1687 O O . ASP A 1 97 ? 83.598 -5.511 96.931 1.00 10.65 ? 100 ASP H O 1 ATOM 1688 C CB . ASP A 1 97 ? 83.664 -6.631 99.838 1.00 10.49 ? 100 ASP H CB 1 ATOM 1689 C CG . ASP A 1 97 ? 83.684 -5.623 100.972 1.00 11.30 ? 100 ASP H CG 1 ATOM 1690 O OD1 . ASP A 1 97 ? 82.726 -4.844 101.175 1.00 11.19 ? 100 ASP H OD1 1 ATOM 1691 O OD2 . ASP A 1 97 ? 84.704 -5.663 101.704 1.00 13.38 ? 100 ASP H OD2 1 ATOM 1692 H H . ASP A 1 97 ? 82.804 -8.339 98.373 1.00 11.89 ? 100 ASP H H 1 ATOM 1693 H HA . ASP A 1 97 ? 81.707 -6.205 99.366 1.00 11.62 ? 100 ASP H HA 1 ATOM 1694 H HB2 . ASP A 1 97 ? 83.603 -7.516 100.229 1.00 12.58 ? 100 ASP H HB2 1 ATOM 1695 H HB3 . ASP A 1 97 ? 84.497 -6.544 99.350 1.00 12.58 ? 100 ASP H HB3 1 ATOM 1696 N N . ARG A 1 98 ? 82.252 -4.139 98.103 1.00 9.54 ? 101 ARG H N 1 ATOM 1697 C CA . ARG A 1 98 ? 82.495 -2.963 97.268 1.00 9.53 ? 101 ARG H CA 1 ATOM 1698 C C . ARG A 1 98 ? 82.044 -3.192 95.830 1.00 9.46 ? 101 ARG H C 1 ATOM 1699 O O . ARG A 1 98 ? 82.756 -2.909 94.880 1.00 10.00 ? 101 ARG H O 1 ATOM 1700 C CB . ARG A 1 98 ? 83.952 -2.492 97.369 1.00 11.04 ? 101 ARG H CB 1 ATOM 1701 C CG . ARG A 1 98 ? 84.464 -2.404 98.805 1.00 12.04 ? 101 ARG H CG 1 ATOM 1702 C CD . ARG A 1 98 ? 85.898 -1.901 98.875 1.00 12.68 ? 101 ARG H CD 1 ATOM 1703 N NE . ARG A 1 98 ? 86.502 -2.197 100.178 1.00 13.75 ? 101 ARG H NE 1 ATOM 1704 C CZ . ARG A 1 98 ? 87.007 -3.372 100.545 1.00 13.84 ? 101 ARG H CZ 1 ATOM 1705 N NH1 . ARG A 1 98 ? 87.066 -4.362 99.681 1.00 14.48 ? 101 ARG H NH1 1 ATOM 1706 N NH2 . ARG A 1 98 ? 87.463 -3.539 101.776 1.00 15.80 ? 101 ARG H NH2 1 ATOM 1707 H H . ARG A 1 98 ? 81.705 -3.993 98.751 1.00 11.45 ? 101 ARG H H 1 ATOM 1708 H HA . ARG A 1 98 ? 81.948 -2.241 97.615 1.00 11.44 ? 101 ARG H HA 1 ATOM 1709 H HB2 . ARG A 1 98 ? 84.517 -3.117 96.890 1.00 13.25 ? 101 ARG H HB2 1 ATOM 1710 H HB3 . ARG A 1 98 ? 84.024 -1.610 96.972 1.00 13.25 ? 101 ARG H HB3 1 ATOM 1711 H HG2 . ARG A 1 98 ? 83.904 -1.789 99.304 1.00 14.45 ? 101 ARG H HG2 1 ATOM 1712 H HG3 . ARG A 1 98 ? 84.433 -3.285 99.208 1.00 14.45 ? 101 ARG H HG3 1 ATOM 1713 H HD2 . ARG A 1 98 ? 86.425 -2.338 98.188 1.00 15.21 ? 101 ARG H HD2 1 ATOM 1714 H HD3 . ARG A 1 98 ? 85.907 -0.940 98.746 1.00 15.21 ? 101 ARG H HD3 1 ATOM 1715 H HE . ARG A 1 98 ? 86.533 -1.558 100.753 1.00 16.50 ? 101 ARG H HE 1 ATOM 1716 H HH11 . ARG A 1 98 ? 86.753 -4.259 98.887 1.00 17.38 ? 101 ARG H HH11 1 ATOM 1717 H HH12 . ARG A 1 98 ? 87.404 -5.117 99.916 1.00 17.38 ? 101 ARG H HH12 1 ATOM 1718 H HH21 . ARG A 1 98 ? 87.442 -2.886 102.335 1.00 18.96 ? 101 ARG H HH21 1 ATOM 1719 H HH22 . ARG A 1 98 ? 87.821 -4.288 102.003 1.00 18.96 ? 101 ARG H HH22 1 ATOM 1720 N N . ASP A 1 99 ? 80.805 -3.671 95.704 1.00 9.29 ? 102 ASP H N 1 ATOM 1721 C CA . ASP A 1 99 ? 80.227 -4.054 94.405 1.00 9.07 ? 102 ASP H CA 1 ATOM 1722 C C . ASP A 1 99 ? 79.676 -2.828 93.691 1.00 8.78 ? 102 ASP H C 1 ATOM 1723 O O . ASP A 1 99 ? 78.472 -2.567 93.695 1.00 9.25 ? 102 ASP H O 1 ATOM 1724 C CB . ASP A 1 99 ? 79.163 -5.124 94.623 1.00 8.99 ? 102 ASP H CB 1 ATOM 1725 C CG . ASP A 1 99 ? 78.663 -5.733 93.327 1.00 9.23 ? 102 ASP H CG 1 ATOM 1726 O OD1 . ASP A 1 99 ? 79.315 -5.522 92.282 1.00 9.95 ? 102 ASP H OD1 1 ATOM 1727 O OD2 . ASP A 1 99 ? 77.648 -6.454 93.384 1.00 9.88 ? 102 ASP H OD2 1 ATOM 1728 H H . ASP A 1 99 ? 80.268 -3.787 96.365 1.00 11.15 ? 102 ASP H H 1 ATOM 1729 H HA . ASP A 1 99 ? 80.925 -4.435 93.849 1.00 10.88 ? 102 ASP H HA 1 ATOM 1730 H HB2 . ASP A 1 99 ? 79.538 -5.837 95.163 1.00 10.79 ? 102 ASP H HB2 1 ATOM 1731 H HB3 . ASP A 1 99 ? 78.404 -4.727 95.079 1.00 10.79 ? 102 ASP H HB3 1 ATOM 1732 N N . ILE A 1 100 ? 80.579 -2.053 93.091 1.00 8.91 ? 103 ILE H N 1 ATOM 1733 C CA . ILE A 1 100 ? 80.200 -0.762 92.512 1.00 9.05 ? 103 ILE H CA 1 ATOM 1734 C C . ILE A 1 100 ? 81.091 -0.447 91.308 1.00 9.45 ? 103 ILE H C 1 ATOM 1735 O O . ILE A 1 100 ? 82.288 -0.749 91.309 1.00 10.05 ? 103 ILE H O 1 ATOM 1736 C CB . ILE A 1 100 ? 80.256 0.362 93.599 1.00 9.42 ? 103 ILE H CB 1 ATOM 1737 C CG1 . ILE A 1 100 ? 79.547 1.622 93.136 1.00 9.86 ? 103 ILE H CG1 1 ATOM 1738 C CG2 . ILE A 1 100 ? 81.699 0.654 94.079 1.00 10.31 ? 103 ILE H CG2 1 ATOM 1739 C CD1 . ILE A 1 100 ? 79.242 2.562 94.280 1.00 11.13 ? 103 ILE H CD1 1 ATOM 1740 H H . ILE A 1 100 ? 81.412 -2.249 93.005 1.00 10.69 ? 103 ILE H H 1 ATOM 1741 H HA . ILE A 1 100 ? 79.286 -0.820 92.195 1.00 10.86 ? 103 ILE H HA 1 ATOM 1742 H HB . ILE A 1 100 ? 79.767 0.031 94.368 1.00 11.31 ? 103 ILE H HB 1 ATOM 1743 H HG12 . ILE A 1 100 ? 80.113 2.091 92.504 1.00 11.83 ? 103 ILE H HG12 1 ATOM 1744 H HG13 . ILE A 1 100 ? 78.708 1.378 92.715 1.00 11.83 ? 103 ILE H HG13 1 ATOM 1745 H HG21 . ILE A 1 100 ? 82.232 0.940 93.320 1.00 12.37 ? 103 ILE H HG21 1 ATOM 1746 H HG22 . ILE A 1 100 ? 81.673 1.355 94.748 1.00 12.37 ? 103 ILE H HG22 1 ATOM 1747 H HG23 . ILE A 1 100 ? 82.074 -0.155 94.461 1.00 12.37 ? 103 ILE H HG23 1 ATOM 1748 H HD11 . ILE A 1 100 ? 80.074 2.821 94.706 1.00 13.35 ? 103 ILE H HD11 1 ATOM 1749 H HD12 . ILE A 1 100 ? 78.791 3.347 93.931 1.00 13.35 ? 103 ILE H HD12 1 ATOM 1750 H HD13 . ILE A 1 100 ? 78.670 2.108 94.918 1.00 13.35 ? 103 ILE H HD13 1 ATOM 1751 N N . ALA A 1 101 ? 80.475 0.152 90.296 1.00 9.78 ? 104 ALA H N 1 ATOM 1752 C CA . ALA A 1 101 ? 81.185 0.559 89.087 1.00 10.17 ? 104 ALA H CA 1 ATOM 1753 C C . ALA A 1 101 ? 80.475 1.766 88.501 1.00 10.41 ? 104 ALA H C 1 ATOM 1754 O O . ALA A 1 101 ? 79.278 1.968 88.703 1.00 10.37 ? 104 ALA H O 1 ATOM 1755 C CB . ALA A 1 101 ? 81.211 -0.561 88.075 1.00 11.43 ? 104 ALA H CB 1 ATOM 1756 H H . ALA A 1 101 ? 79.635 0.337 90.284 1.00 11.74 ? 104 ALA H H 1 ATOM 1757 H HA . ALA A 1 101 ? 82.097 0.806 89.306 1.00 12.21 ? 104 ALA H HA 1 ATOM 1758 H HB1 . ALA A 1 101 ? 80.299 -0.797 87.842 1.00 13.72 ? 104 ALA H HB1 1 ATOM 1759 H HB2 . ALA A 1 101 ? 81.688 -0.262 87.285 1.00 13.72 ? 104 ALA H HB2 1 ATOM 1760 H HB3 . ALA A 1 101 ? 81.662 -1.327 88.463 1.00 13.72 ? 104 ALA H HB3 1 ATOM 1761 N N . LEU A 1 102 ? 81.237 2.548 87.757 1.00 11.19 ? 105 LEU H N 1 ATOM 1762 C CA . LEU A 1 102 ? 80.732 3.693 87.025 1.00 11.48 ? 105 LEU H CA 1 ATOM 1763 C C . LEU A 1 102 ? 81.012 3.516 85.549 1.00 12.60 ? 105 LEU H C 1 ATOM 1764 O O . LEU A 1 102 ? 82.031 2.931 85.166 1.00 14.13 ? 105 LEU H O 1 ATOM 1765 C CB . LEU A 1 102 ? 81.450 4.953 87.489 1.00 11.82 ? 105 LEU H CB 1 ATOM 1766 C CG . LEU A 1 102 ? 80.975 5.498 88.837 1.00 12.46 ? 105 LEU H CG 1 ATOM 1767 C CD1 . LEU A 1 102 ? 81.987 6.449 89.446 1.00 14.22 ? 105 LEU H CD1 1 ATOM 1768 C CD2 . LEU A 1 102 ? 79.645 6.209 88.681 1.00 13.01 ? 105 LEU H CD2 1 ATOM 1769 H H . LEU A 1 102 ? 82.083 2.430 87.658 1.00 13.43 ? 105 LEU H H 1 ATOM 1770 H HA . LEU A 1 102 ? 79.778 3.792 87.165 1.00 13.78 ? 105 LEU H HA 1 ATOM 1771 H HB2 . LEU A 1 102 ? 82.397 4.759 87.568 1.00 14.18 ? 105 LEU H HB2 1 ATOM 1772 H HB3 . LEU A 1 102 ? 81.313 5.649 86.827 1.00 14.18 ? 105 LEU H HB3 1 ATOM 1773 H HG . LEU A 1 102 ? 80.851 4.758 89.452 1.00 14.95 ? 105 LEU H HG 1 ATOM 1774 H HD11 . LEU A 1 102 ? 82.122 7.195 88.841 1.00 17.07 ? 105 LEU H HD11 1 ATOM 1775 H HD12 . LEU A 1 102 ? 81.647 6.769 90.296 1.00 17.07 ? 105 LEU H HD12 1 ATOM 1776 H HD13 . LEU A 1 102 ? 82.823 5.976 89.580 1.00 17.07 ? 105 LEU H HD13 1 ATOM 1777 H HD21 . LEU A 1 102 ? 78.989 5.580 88.340 1.00 15.61 ? 105 LEU H HD21 1 ATOM 1778 H HD22 . LEU A 1 102 ? 79.364 6.545 89.546 1.00 15.61 ? 105 LEU H HD22 1 ATOM 1779 H HD23 . LEU A 1 102 ? 79.752 6.945 88.058 1.00 15.61 ? 105 LEU H HD23 1 ATOM 1780 N N . MET A 1 103 ? 80.123 4.068 84.730 1.00 12.80 ? 106 MET H N 1 ATOM 1781 C CA . MET A 1 103 ? 80.301 4.095 83.289 1.00 13.68 ? 106 MET H CA 1 ATOM 1782 C C . MET A 1 103 ? 80.121 5.533 82.832 1.00 13.91 ? 106 MET H C 1 ATOM 1783 O O . MET A 1 103 ? 79.107 6.158 83.124 1.00 14.22 ? 106 MET H O 1 ATOM 1784 C CB . MET A 1 103 ? 79.271 3.171 82.626 1.00 15.64 ? 106 MET H CB 1 ATOM 1785 C CG . MET A 1 103 ? 79.443 1.687 82.991 1.00 17.24 ? 106 MET H CG 1 ATOM 1786 S SD . MET A 1 103 ? 78.181 0.542 82.462 1.00 19.22 ? 106 MET H SD 1 ATOM 1787 C CE . MET A 1 103 ? 76.886 1.148 83.460 1.00 19.13 ? 106 MET H CE 1 ATOM 1788 H H . MET A 1 103 ? 79.394 4.439 84.994 1.00 15.36 ? 106 MET H H 1 ATOM 1789 H HA . MET A 1 103 ? 81.192 3.786 83.061 1.00 16.42 ? 106 MET H HA 1 ATOM 1790 H HB2 . MET A 1 103 ? 78.382 3.444 82.904 1.00 18.77 ? 106 MET H HB2 1 ATOM 1791 H HB3 . MET A 1 103 ? 79.353 3.251 81.663 1.00 18.77 ? 106 MET H HB3 1 ATOM 1792 H HG2 . MET A 1 103 ? 80.280 1.381 82.607 1.00 20.68 ? 106 MET H HG2 1 ATOM 1793 H HG3 . MET A 1 103 ? 79.496 1.622 83.957 1.00 20.68 ? 106 MET H HG3 1 ATOM 1794 H HE1 . MET A 1 103 ? 76.721 2.077 83.233 1.00 22.95 ? 106 MET H HE1 1 ATOM 1795 H HE2 . MET A 1 103 ? 76.088 0.621 83.295 1.00 22.95 ? 106 MET H HE2 1 ATOM 1796 H HE3 . MET A 1 103 ? 77.145 1.075 84.392 1.00 22.95 ? 106 MET H HE3 1 ATOM 1797 N N . LYS A 1 104 ? 81.111 6.052 82.113 1.00 14.67 ? 107 LYS H N 1 ATOM 1798 C CA . LYS A 1 104 ? 81.032 7.371 81.516 1.00 15.18 ? 107 LYS H CA 1 ATOM 1799 C C . LYS A 1 104 ? 80.531 7.212 80.085 1.00 15.71 ? 107 LYS H C 1 ATOM 1800 O O . LYS A 1 104 ? 81.043 6.392 79.330 1.00 16.48 ? 107 LYS H O 1 ATOM 1801 C CB . LYS A 1 104 ? 82.412 8.045 81.505 1.00 17.24 ? 107 LYS H CB 1 ATOM 1802 C CG . LYS A 1 104 ? 82.339 9.484 80.992 1.00 20.55 ? 107 LYS H CG 1 ATOM 1803 C CD . LYS A 1 104 ? 83.640 10.242 81.120 1.00 24.84 ? 107 LYS H CD 1 ATOM 1804 C CE . LYS A 1 104 ? 83.406 11.720 80.874 1.00 28.48 ? 107 LYS H CE 1 ATOM 1805 H H . LYS A 1 104 ? 81.854 5.648 81.956 1.00 17.61 ? 107 LYS H H 1 ATOM 1806 H HA . LYS A 1 104 ? 80.409 7.926 82.011 1.00 18.21 ? 107 LYS H HA 1 ATOM 1807 H HB2 . LYS A 1 104 ? 82.765 8.062 82.408 1.00 20.68 ? 107 LYS H HB2 1 ATOM 1808 H HB3 . LYS A 1 104 ? 83.006 7.545 80.923 1.00 20.68 ? 107 LYS H HB3 1 ATOM 1809 H HG2 . LYS A 1 104 ? 82.095 9.470 80.054 1.00 24.66 ? 107 LYS H HG2 1 ATOM 1810 H HG3 . LYS A 1 104 ? 81.666 9.963 81.500 1.00 24.66 ? 107 LYS H HG3 1 ATOM 1811 H HD2 . LYS A 1 104 ? 83.994 10.130 82.016 1.00 29.81 ? 107 LYS H HD2 1 ATOM 1812 H HD3 . LYS A 1 104 ? 84.272 9.916 80.461 1.00 29.81 ? 107 LYS H HD3 1 ATOM 1813 N N . LEU A 1 105 ? 79.516 7.986 79.723 1.00 15.71 ? 108 LEU H N 1 ATOM 1814 C CA . LEU A 1 105 ? 78.946 7.925 78.383 1.00 16.82 ? 108 LEU H CA 1 ATOM 1815 C C . LEU A 1 105 ? 79.781 8.727 77.401 1.00 17.96 ? 108 LEU H C 1 ATOM 1816 O O . LEU A 1 105 ? 80.419 9.720 77.758 1.00 18.98 ? 108 LEU H O 1 ATOM 1817 C CB . LEU A 1 105 ? 77.523 8.483 78.372 1.00 17.89 ? 108 LEU H CB 1 ATOM 1818 C CG . LEU A 1 105 ? 76.600 7.856 79.427 1.00 18.77 ? 108 LEU H CG 1 ATOM 1819 C CD1 . LEU A 1 105 ? 75.211 8.447 79.309 1.00 20.21 ? 108 LEU H CD1 1 ATOM 1820 C CD2 . LEU A 1 105 ? 76.552 6.337 79.292 1.00 18.47 ? 108 LEU H CD2 1 ATOM 1821 H H . LEU A 1 105 ? 79.137 8.560 80.238 1.00 18.86 ? 108 LEU H H 1 ATOM 1822 H HA . LEU A 1 105 ? 78.919 7.002 78.084 1.00 20.19 ? 108 LEU H HA 1 ATOM 1823 H HB2 . LEU A 1 105 ? 77.560 9.437 78.541 1.00 21.47 ? 108 LEU H HB2 1 ATOM 1824 H HB3 . LEU A 1 105 ? 77.130 8.319 77.500 1.00 21.47 ? 108 LEU H HB3 1 ATOM 1825 H HG . LEU A 1 105 ? 76.941 8.067 80.310 1.00 22.53 ? 108 LEU H HG 1 ATOM 1826 H HD11 . LEU A 1 105 ? 74.864 8.262 78.423 1.00 24.25 ? 108 LEU H HD11 1 ATOM 1827 H HD12 . LEU A 1 105 ? 74.638 8.044 79.980 1.00 24.25 ? 108 LEU H HD12 1 ATOM 1828 H HD13 . LEU A 1 105 ? 75.263 9.406 79.451 1.00 24.25 ? 108 LEU H HD13 1 ATOM 1829 H HD21 . LEU A 1 105 ? 77.447 5.982 79.410 1.00 22.16 ? 108 LEU H HD21 1 ATOM 1830 H HD22 . LEU A 1 105 ? 75.961 5.979 79.973 1.00 22.16 ? 108 LEU H HD22 1 ATOM 1831 H HD23 . LEU A 1 105 ? 76.218 6.109 78.411 1.00 22.16 ? 108 LEU H HD23 1 ATOM 1832 N N . LYS A 1 106 ? 79.752 8.317 76.143 1.00 19.14 ? 109 LYS H N 1 ATOM 1833 C CA . LYS A 1 106 ? 80.504 9.029 75.124 1.00 21.88 ? 109 LYS H CA 1 ATOM 1834 C C . LYS A 1 106 ? 79.992 10.450 74.910 1.00 22.88 ? 109 LYS H C 1 ATOM 1835 O O . LYS A 1 106 ? 80.769 11.350 74.593 1.00 24.47 ? 109 LYS H O 1 ATOM 1836 C CB . LYS A 1 106 ? 80.464 8.269 73.808 1.00 23.87 ? 109 LYS H CB 1 ATOM 1837 C CG . LYS A 1 106 ? 81.393 7.077 73.787 1.00 25.75 ? 109 LYS H CG 1 ATOM 1838 C CD . LYS A 1 106 ? 81.630 6.595 72.380 1.00 28.33 ? 109 LYS H CD 1 ATOM 1839 C CE . LYS A 1 106 ? 82.478 5.337 72.373 1.00 30.92 ? 109 LYS H CE 1 ATOM 1840 N NZ . LYS A 1 106 ? 82.710 4.844 70.984 1.00 33.50 ? 109 LYS H NZ 1 ATOM 1841 H H . LYS A 1 106 ? 79.311 7.637 75.856 1.00 22.96 ? 109 LYS H H 1 ATOM 1842 H HA . LYS A 1 106 ? 81.430 9.087 75.404 1.00 26.26 ? 109 LYS H HA 1 ATOM 1843 H HB2 . LYS A 1 106 ? 79.561 7.948 73.657 1.00 28.64 ? 109 LYS H HB2 1 ATOM 1844 H HB3 . LYS A 1 106 ? 80.728 8.867 73.091 1.00 28.64 ? 109 LYS H HB3 1 ATOM 1845 H HG2 . LYS A 1 106 ? 82.247 7.329 74.171 1.00 30.90 ? 109 LYS H HG2 1 ATOM 1846 H HG3 . LYS A 1 106 ? 80.996 6.352 74.295 1.00 30.90 ? 109 LYS H HG3 1 ATOM 1847 H HD2 . LYS A 1 106 ? 80.778 6.393 71.962 1.00 33.99 ? 109 LYS H HD2 1 ATOM 1848 H HD3 . LYS A 1 106 ? 82.097 7.282 71.880 1.00 33.99 ? 109 LYS H HD3 1 ATOM 1849 H HE2 . LYS A 1 106 ? 83.339 5.529 72.776 1.00 37.10 ? 109 LYS H HE2 1 ATOM 1850 H HE3 . LYS A 1 106 ? 82.021 4.641 72.870 1.00 37.10 ? 109 LYS H HE3 1 ATOM 1851 H HZ1 . LYS A 1 106 ? 83.132 5.466 70.508 1.00 40.20 ? 109 LYS H HZ1 1 ATOM 1852 H HZ2 . LYS A 1 106 ? 83.209 4.106 71.003 1.00 40.20 ? 109 LYS H HZ2 1 ATOM 1853 H HZ3 . LYS A 1 106 ? 81.933 4.657 70.594 1.00 40.20 ? 109 LYS H HZ3 1 ATOM 1854 N N . LYS A 1 107 ? 78.684 10.641 75.019 1.00 22.55 ? 110 LYS H N 1 ATOM 1855 C CA . LYS A 1 107 ? 78.076 11.970 74.859 1.00 23.18 ? 110 LYS H CA 1 ATOM 1856 C C . LYS A 1 107 ? 77.033 12.135 75.952 1.00 22.10 ? 110 LYS H C 1 ATOM 1857 O O . LYS A 1 107 ? 76.459 11.151 76.406 1.00 21.40 ? 110 LYS H O 1 ATOM 1858 C CB . LYS A 1 107 ? 77.391 12.127 73.497 1.00 25.62 ? 110 LYS H CB 1 ATOM 1859 C CG . LYS A 1 107 ? 78.265 11.867 72.301 1.00 29.26 ? 110 LYS H CG 1 ATOM 1860 C CD . LYS A 1 107 ? 77.437 11.931 71.037 1.00 31.07 ? 110 LYS H CD 1 ATOM 1861 H H . LYS A 1 107 ? 78.116 10.016 75.186 1.00 27.06 ? 110 LYS H H 1 ATOM 1862 H HA . LYS A 1 107 ? 78.751 12.660 74.957 1.00 27.82 ? 110 LYS H HA 1 ATOM 1863 H HB2 . LYS A 1 107 ? 76.646 11.507 73.454 1.00 30.75 ? 110 LYS H HB2 1 ATOM 1864 H HB3 . LYS A 1 107 ? 77.059 13.036 73.423 1.00 30.75 ? 110 LYS H HB3 1 ATOM 1865 H HG2 . LYS A 1 107 ? 78.958 12.544 72.252 1.00 35.11 ? 110 LYS H HG2 1 ATOM 1866 H HG3 . LYS A 1 107 ? 78.656 10.982 72.371 1.00 35.11 ? 110 LYS H HG3 1 ATOM 1867 N N . PRO A 1 108 ? 76.757 13.381 76.367 1.00 22.85 ? 111 PRO H N 1 ATOM 1868 C CA . PRO A 1 108 ? 75.690 13.548 77.355 1.00 22.65 ? 111 PRO H CA 1 ATOM 1869 C C . PRO A 1 108 ? 74.314 13.130 76.834 1.00 20.85 ? 111 PRO H C 1 ATOM 1870 O O . PRO A 1 108 ? 74.007 13.345 75.659 1.00 22.09 ? 111 PRO H O 1 ATOM 1871 C CB . PRO A 1 108 ? 75.711 15.050 77.647 1.00 25.15 ? 111 PRO H CB 1 ATOM 1872 C CG . PRO A 1 108 ? 76.409 15.669 76.499 1.00 26.89 ? 111 PRO H CG 1 ATOM 1873 C CD . PRO A 1 108 ? 77.376 14.663 75.994 1.00 25.14 ? 111 PRO H CD 1 ATOM 1874 H HA . PRO A 1 108 ? 75.895 13.057 78.166 1.00 27.18 ? 111 PRO H HA 1 ATOM 1875 H HB2 . PRO A 1 108 ? 74.802 15.382 77.713 1.00 30.17 ? 111 PRO H HB2 1 ATOM 1876 H HB3 . PRO A 1 108 ? 76.197 15.215 78.470 1.00 30.17 ? 111 PRO H HB3 1 ATOM 1877 H HG2 . PRO A 1 108 ? 75.762 15.892 75.811 1.00 32.27 ? 111 PRO H HG2 1 ATOM 1878 H HG3 . PRO A 1 108 ? 76.875 16.466 76.796 1.00 32.27 ? 111 PRO H HG3 1 ATOM 1879 H HD2 . PRO A 1 108 ? 77.461 14.730 75.030 1.00 30.17 ? 111 PRO H HD2 1 ATOM 1880 H HD3 . PRO A 1 108 ? 78.233 14.766 76.435 1.00 30.17 ? 111 PRO H HD3 1 ATOM 1881 N N . VAL A 1 109 ? 73.485 12.560 77.698 1.00 19.60 ? 112 VAL H N 1 ATOM 1882 C CA . VAL A 1 109 ? 72.118 12.208 77.322 1.00 19.12 ? 112 VAL H CA 1 ATOM 1883 C C . VAL A 1 109 ? 71.207 13.405 77.593 1.00 19.15 ? 112 VAL H C 1 ATOM 1884 O O . VAL A 1 109 ? 71.373 14.131 78.585 1.00 20.17 ? 112 VAL H O 1 ATOM 1885 C CB . VAL A 1 109 ? 71.631 10.935 78.055 1.00 19.34 ? 112 VAL H CB 1 ATOM 1886 C CG1 . VAL A 1 109 ? 71.510 11.166 79.549 1.00 19.00 ? 112 VAL H CG1 1 ATOM 1887 C CG2 . VAL A 1 109 ? 70.326 10.424 77.493 1.00 20.50 ? 112 VAL H CG2 1 ATOM 1888 H H . VAL A 1 109 ? 73.688 12.365 78.511 1.00 23.52 ? 112 VAL H H 1 ATOM 1889 H HA . VAL A 1 109 ? 72.094 12.028 76.369 1.00 22.95 ? 112 VAL H HA 1 ATOM 1890 H HB . VAL A 1 109 ? 72.292 10.237 77.925 1.00 23.20 ? 112 VAL H HB 1 ATOM 1891 H HG11 . VAL A 1 109 ? 70.873 11.880 79.707 1.00 22.79 ? 112 VAL H HG11 1 ATOM 1892 H HG12 . VAL A 1 109 ? 71.203 10.349 79.971 1.00 22.79 ? 112 VAL H HG12 1 ATOM 1893 H HG13 . VAL A 1 109 ? 72.379 11.415 79.901 1.00 22.79 ? 112 VAL H HG13 1 ATOM 1894 H HG21 . VAL A 1 109 ? 70.449 10.210 76.554 1.00 24.60 ? 112 VAL H HG21 1 ATOM 1895 H HG22 . VAL A 1 109 ? 70.061 9.629 77.981 1.00 24.60 ? 112 VAL H HG22 1 ATOM 1896 H HG23 . VAL A 1 109 ? 69.649 11.112 77.590 1.00 24.60 ? 112 VAL H HG23 1 ATOM 1897 N N . ALA A 1 110 ? 70.229 13.621 76.717 1.00 18.99 ? 113 ALA H N 1 ATOM 1898 C CA . ALA A 1 110 ? 69.259 14.694 76.915 1.00 18.93 ? 113 ALA H CA 1 ATOM 1899 C C . ALA A 1 110 ? 68.209 14.270 77.922 1.00 17.14 ? 113 ALA H C 1 ATOM 1900 O O . ALA A 1 110 ? 67.622 13.195 77.792 1.00 17.56 ? 113 ALA H O 1 ATOM 1901 C CB . ALA A 1 110 ? 68.588 15.053 75.585 1.00 20.69 ? 113 ALA H CB 1 ATOM 1902 H H . ALA A 1 110 ? 70.105 13.162 76.001 1.00 22.79 ? 113 ALA H H 1 ATOM 1903 H HA . ALA A 1 110 ? 69.712 15.482 77.255 1.00 22.72 ? 113 ALA H HA 1 ATOM 1904 H HB1 . ALA A 1 110 ? 68.134 14.269 75.239 1.00 24.83 ? 113 ALA H HB1 1 ATOM 1905 H HB2 . ALA A 1 110 ? 67.949 15.766 75.737 1.00 24.83 ? 113 ALA H HB2 1 ATOM 1906 H HB3 . ALA A 1 110 ? 69.268 15.346 74.958 1.00 24.83 ? 113 ALA H HB3 1 ATOM 1907 N N . PHE A 1 111 ? 67.957 15.110 78.925 1.00 15.83 ? 114 PHE H N 1 ATOM 1908 C CA . PHE A 1 111 ? 66.906 14.814 79.904 1.00 14.22 ? 114 PHE H CA 1 ATOM 1909 C C . PHE A 1 111 ? 65.535 15.052 79.283 1.00 13.35 ? 114 PHE H C 1 ATOM 1910 O O . PHE A 1 111 ? 65.393 15.817 78.325 1.00 15.23 ? 114 PHE H O 1 ATOM 1911 C CB . PHE A 1 111 ? 67.054 15.645 81.173 1.00 14.23 ? 114 PHE H CB 1 ATOM 1912 C CG . PHE A 1 111 ? 68.353 15.435 81.932 1.00 14.41 ? 114 PHE H CG 1 ATOM 1913 C CD1 . PHE A 1 111 ? 69.159 14.334 81.714 1.00 14.56 ? 114 PHE H CD1 1 ATOM 1914 C CD2 . PHE A 1 111 ? 68.735 16.335 82.904 1.00 15.69 ? 114 PHE H CD2 1 ATOM 1915 C CE1 . PHE A 1 111 ? 70.340 14.163 82.431 1.00 15.39 ? 114 PHE H CE1 1 ATOM 1916 C CE2 . PHE A 1 111 ? 69.908 16.165 83.624 1.00 16.37 ? 114 PHE H CE2 1 ATOM 1917 C CZ . PHE A 1 111 ? 70.716 15.077 83.377 1.00 15.13 ? 114 PHE H CZ 1 ATOM 1918 H H . PHE A 1 111 ? 68.374 15.850 79.062 1.00 18.99 ? 114 PHE H H 1 ATOM 1919 H HA . PHE A 1 111 ? 66.963 13.878 80.152 1.00 17.07 ? 114 PHE H HA 1 ATOM 1920 H HB2 . PHE A 1 111 ? 67.003 16.583 80.935 1.00 17.07 ? 114 PHE H HB2 1 ATOM 1921 H HB3 . PHE A 1 111 ? 66.326 15.422 81.774 1.00 17.07 ? 114 PHE H HB3 1 ATOM 1922 H HD1 . PHE A 1 111 ? 68.921 13.711 81.066 1.00 17.47 ? 114 PHE H HD1 1 ATOM 1923 H HD2 . PHE A 1 111 ? 68.202 17.079 83.071 1.00 18.83 ? 114 PHE H HD2 1 ATOM 1924 H HE1 . PHE A 1 111 ? 70.878 13.423 82.265 1.00 18.46 ? 114 PHE H HE1 1 ATOM 1925 H HE2 . PHE A 1 111 ? 70.155 16.791 84.267 1.00 19.65 ? 114 PHE H HE2 1 ATOM 1926 H HZ . PHE A 1 111 ? 71.501 14.955 83.860 1.00 18.16 ? 114 PHE H HZ 1 ATOM 1927 N N . SER A 1 112 ? 64.523 14.376 79.808 1.00 12.08 ? 115 SER H N 1 ATOM 1928 C CA . SER A 1 112 ? 63.163 14.462 79.285 1.00 11.69 ? 115 SER H CA 1 ATOM 1929 C C . SER A 1 112 ? 62.203 14.077 80.408 1.00 11.06 ? 115 SER H C 1 ATOM 1930 O O . SER A 1 112 ? 62.623 13.829 81.540 1.00 11.18 ? 115 SER H O 1 ATOM 1931 C CB . SER A 1 112 ? 62.987 13.519 78.093 1.00 12.38 ? 115 SER H CB 1 ATOM 1932 O OG . SER A 1 112 ? 62.998 12.179 78.565 1.00 12.28 ? 115 SER H OG 1 ATOM 1933 H H . SER A 1 112 ? 64.598 13.848 80.483 1.00 14.49 ? 115 SER H H 1 ATOM 1934 H HA . SER A 1 112 ? 62.972 15.370 79.002 1.00 14.03 ? 115 SER H HA 1 ATOM 1935 H HB2 . SER A 1 112 ? 62.138 13.702 77.661 1.00 14.85 ? 115 SER H HB2 1 ATOM 1936 H HB3 . SER A 1 112 ? 63.718 13.648 77.469 1.00 14.85 ? 115 SER H HB3 1 ATOM 1937 H HG . SER A 1 112 ? 62.902 11.647 77.922 1.00 14.74 ? 115 SER H HG 1 ATOM 1938 N N . ASP A 1 113 ? 60.928 13.940 80.081 1.00 11.04 ? 116 ASP H N 1 ATOM 1939 C CA . ASP A 1 113 ? 59.977 13.402 81.065 1.00 11.21 ? 116 ASP H CA 1 ATOM 1940 C C . ASP A 1 113 ? 60.344 12.011 81.553 1.00 10.38 ? 116 ASP H C 1 ATOM 1941 O O . ASP A 1 113 ? 59.913 11.611 82.632 1.00 11.09 ? 116 ASP H O 1 ATOM 1942 C CB . ASP A 1 113 ? 58.561 13.341 80.481 1.00 12.30 ? 116 ASP H CB 1 ATOM 1943 C CG . ASP A 1 113 ? 57.895 14.694 80.336 1.00 14.92 ? 116 ASP H CG 1 ATOM 1944 O OD1 . ASP A 1 113 ? 58.377 15.693 80.925 1.00 15.80 ? 116 ASP H OD1 1 ATOM 1945 O OD2 . ASP A 1 113 ? 56.844 14.734 79.650 1.00 17.10 ? 116 ASP H OD2 1 ATOM 1946 H H . ASP A 1 113 ? 60.586 14.144 79.319 1.00 13.25 ? 116 ASP H H 1 ATOM 1947 H HA . ASP A 1 113 ? 59.957 13.991 81.835 1.00 13.45 ? 116 ASP H HA 1 ATOM 1948 H HB2 . ASP A 1 113 ? 58.604 12.937 79.600 1.00 14.77 ? 116 ASP H HB2 1 ATOM 1949 H HB3 . ASP A 1 113 ? 58.006 12.799 81.063 1.00 14.77 ? 116 ASP H HB3 1 ATOM 1950 N N . TYR A 1 114 ? 61.103 11.283 80.733 1.00 10.20 ? 117 TYR H N 1 ATOM 1951 C CA . TYR A 1 114 ? 61.410 9.868 80.969 1.00 10.02 ? 117 TYR H CA 1 ATOM 1952 C C . TYR A 1 114 ? 62.840 9.616 81.430 1.00 9.73 ? 117 TYR H C 1 ATOM 1953 O O . TYR A 1 114 ? 63.186 8.478 81.762 1.00 10.06 ? 117 TYR H O 1 ATOM 1954 C CB . TYR A 1 114 ? 61.149 9.059 79.680 1.00 11.15 ? 117 TYR H CB 1 ATOM 1955 C CG . TYR A 1 114 ? 59.835 9.449 79.073 1.00 12.08 ? 117 TYR H CG 1 ATOM 1956 C CD1 . TYR A 1 114 ? 58.644 9.066 79.678 1.00 12.66 ? 117 TYR H CD1 1 ATOM 1957 C CD2 . TYR A 1 114 ? 59.759 10.254 77.938 1.00 13.54 ? 117 TYR H CD2 1 ATOM 1958 C CE1 . TYR A 1 114 ? 57.421 9.473 79.175 1.00 13.83 ? 117 TYR H CE1 1 ATOM 1959 C CE2 . TYR A 1 114 ? 58.525 10.662 77.433 1.00 13.77 ? 117 TYR H CE2 1 ATOM 1960 C CZ . TYR A 1 114 ? 57.372 10.268 78.055 1.00 14.23 ? 117 TYR H CZ 1 ATOM 1961 O OH . TYR A 1 114 ? 56.155 10.695 77.548 1.00 16.09 ? 117 TYR H OH 1 ATOM 1962 H H . TYR A 1 114 ? 61.461 11.593 80.016 1.00 12.24 ? 117 TYR H H 1 ATOM 1963 H HA . TYR A 1 114 ? 60.814 9.530 81.656 1.00 12.03 ? 117 TYR H HA 1 ATOM 1964 H HB2 . TYR A 1 114 ? 61.851 9.242 79.036 1.00 13.38 ? 117 TYR H HB2 1 ATOM 1965 H HB3 . TYR A 1 114 ? 61.121 8.113 79.892 1.00 13.38 ? 117 TYR H HB3 1 ATOM 1966 H HD1 . TYR A 1 114 ? 58.671 8.544 80.447 1.00 15.19 ? 117 TYR H HD1 1 ATOM 1967 H HD2 . TYR A 1 114 ? 60.541 10.539 77.524 1.00 16.24 ? 117 TYR H HD2 1 ATOM 1968 H HE1 . TYR A 1 114 ? 56.634 9.209 79.594 1.00 16.60 ? 117 TYR H HE1 1 ATOM 1969 H HE2 . TYR A 1 114 ? 58.486 11.201 76.677 1.00 16.53 ? 117 TYR H HE2 1 ATOM 1970 H HH . TYR A 1 114 ? 56.279 11.170 76.866 1.00 19.30 ? 117 TYR H HH 1 ATOM 1971 N N . ILE A 1 115 ? 63.673 10.654 81.402 1.00 9.85 ? 118 ILE H N 1 ATOM 1972 C CA . ILE A 1 115 ? 65.113 10.556 81.616 1.00 10.50 ? 118 ILE H CA 1 ATOM 1973 C C . ILE A 1 115 ? 65.540 11.673 82.555 1.00 10.19 ? 118 ILE H C 1 ATOM 1974 O O . ILE A 1 115 ? 65.425 12.860 82.219 1.00 10.80 ? 118 ILE H O 1 ATOM 1975 C CB . ILE A 1 115 ? 65.893 10.663 80.296 1.00 11.41 ? 118 ILE H CB 1 ATOM 1976 C CG1 . ILE A 1 115 ? 65.495 9.517 79.358 1.00 11.96 ? 118 ILE H CG1 1 ATOM 1977 C CG2 . ILE A 1 115 ? 67.385 10.711 80.564 1.00 11.92 ? 118 ILE H CG2 1 ATOM 1978 C CD1 . ILE A 1 115 ? 66.183 9.527 78.002 1.00 13.19 ? 118 ILE H CD1 1 ATOM 1979 H H . ILE A 1 115 ? 63.413 11.460 81.254 1.00 11.82 ? 118 ILE H H 1 ATOM 1980 H HA . ILE A 1 115 ? 65.324 9.705 82.032 1.00 12.59 ? 118 ILE H HA 1 ATOM 1981 H HB . ILE A 1 115 ? 65.642 11.497 79.870 1.00 13.69 ? 118 ILE H HB 1 ATOM 1982 H HG12 . ILE A 1 115 ? 65.711 8.676 79.789 1.00 14.36 ? 118 ILE H HG12 1 ATOM 1983 H HG13 . ILE A 1 115 ? 64.539 9.566 79.200 1.00 14.36 ? 118 ILE H HG13 1 ATOM 1984 H HG21 . ILE A 1 115 ? 67.649 9.899 81.025 1.00 14.31 ? 118 ILE H HG21 1 ATOM 1985 H HG22 . ILE A 1 115 ? 67.855 10.778 79.718 1.00 14.31 ? 118 ILE H HG22 1 ATOM 1986 H HG23 . ILE A 1 115 ? 67.582 11.484 81.115 1.00 14.31 ? 118 ILE H HG23 1 ATOM 1987 H HD11 . ILE A 1 115 ? 67.142 9.463 78.134 1.00 15.83 ? 118 ILE H HD11 1 ATOM 1988 H HD12 . ILE A 1 115 ? 65.869 8.770 77.483 1.00 15.83 ? 118 ILE H HD12 1 ATOM 1989 H HD13 . ILE A 1 115 ? 65.967 10.355 77.544 1.00 15.83 ? 118 ILE H HD13 1 ATOM 1990 N N . HIS A 1 116 ? 65.965 11.316 83.762 1.00 9.57 ? 119 HIS H N 1 ATOM 1991 C CA . HIS A 1 116 ? 66.303 12.317 84.756 1.00 9.58 ? 119 HIS H CA 1 ATOM 1992 C C . HIS A 1 116 ? 67.165 11.663 85.831 1.00 9.32 ? 119 HIS H C 1 ATOM 1993 O O . HIS A 1 116 ? 66.865 10.543 86.245 1.00 9.47 ? 119 HIS H O 1 ATOM 1994 C CB . HIS A 1 116 ? 65.028 12.865 85.415 1.00 10.75 ? 119 HIS H CB 1 ATOM 1995 C CG . HIS A 1 116 ? 65.239 14.144 86.153 1.00 11.91 ? 119 HIS H CG 1 ATOM 1996 N ND1 . HIS A 1 116 ? 65.110 15.377 85.554 1.00 13.06 ? 119 HIS H ND1 1 ATOM 1997 C CD2 . HIS A 1 116 ? 65.618 14.378 87.428 1.00 12.63 ? 119 HIS H CD2 1 ATOM 1998 C CE1 . HIS A 1 116 ? 65.388 16.315 86.440 1.00 13.58 ? 119 HIS H CE1 1 ATOM 1999 N NE2 . HIS A 1 116 ? 65.705 15.735 87.584 1.00 13.44 ? 119 HIS H NE2 1 ATOM 2000 H H . HIS A 1 116 ? 66.065 10.504 84.026 1.00 11.48 ? 119 HIS H H 1 ATOM 2001 H HA . HIS A 1 116 ? 66.795 13.047 84.348 1.00 11.49 ? 119 HIS H HA 1 ATOM 2002 H HB2 . HIS A 1 116 ? 64.364 13.025 84.726 1.00 12.90 ? 119 HIS H HB2 1 ATOM 2003 H HB3 . HIS A 1 116 ? 64.696 12.208 86.047 1.00 12.90 ? 119 HIS H HB3 1 ATOM 2004 H HD2 . HIS A 1 116 ? 65.791 13.736 88.078 1.00 15.16 ? 119 HIS H HD2 1 ATOM 2005 H HE1 . HIS A 1 116 ? 65.365 17.231 86.285 1.00 16.30 ? 119 HIS H HE1 1 ATOM 2006 H HE2 . HIS A 1 116 ? 65.915 16.144 88.312 1.00 16.13 ? 119 HIS H HE2 1 ATOM 2007 N N . PRO A 1 117 ? 68.205 12.344 86.346 1.00 9.52 ? 120 PRO H N 1 ATOM 2008 C CA . PRO A 1 117 ? 69.102 11.683 87.317 1.00 9.53 ? 120 PRO H CA 1 ATOM 2009 C C . PRO A 1 117 ? 68.537 11.575 88.725 1.00 8.73 ? 120 PRO H C 1 ATOM 2010 O O . PRO A 1 117 ? 67.767 12.426 89.174 1.00 9.20 ? 120 PRO H O 1 ATOM 2011 C CB . PRO A 1 117 ? 70.335 12.578 87.318 1.00 10.90 ? 120 PRO H CB 1 ATOM 2012 C CG . PRO A 1 117 ? 69.816 13.894 86.876 1.00 13.91 ? 120 PRO H CG 1 ATOM 2013 C CD . PRO A 1 117 ? 68.740 13.635 85.899 1.00 11.28 ? 120 PRO H CD 1 ATOM 2014 H HA . PRO A 1 117 ? 69.348 10.799 87.001 1.00 11.44 ? 120 PRO H HA 1 ATOM 2015 H HB2 . PRO A 1 117 ? 70.702 12.634 88.214 1.00 13.07 ? 120 PRO H HB2 1 ATOM 2016 H HB3 . PRO A 1 117 ? 70.992 12.237 86.692 1.00 13.07 ? 120 PRO H HB3 1 ATOM 2017 H HG2 . PRO A 1 117 ? 69.467 14.374 87.643 1.00 16.69 ? 120 PRO H HG2 1 ATOM 2018 H HG3 . PRO A 1 117 ? 70.533 14.398 86.461 1.00 16.69 ? 120 PRO H HG3 1 ATOM 2019 H HD2 . PRO A 1 117 ? 68.058 14.323 85.953 1.00 13.53 ? 120 PRO H HD2 1 ATOM 2020 H HD3 . PRO A 1 117 ? 69.104 13.560 85.003 1.00 13.53 ? 120 PRO H HD3 1 ATOM 2021 N N . VAL A 1 118 ? 68.974 10.538 89.429 1.00 8.27 ? 121 VAL H N 1 ATOM 2022 C CA . VAL A 1 118 ? 68.719 10.366 90.862 1.00 8.13 ? 121 VAL H CA 1 ATOM 2023 C C . VAL A 1 118 ? 69.805 11.070 91.669 1.00 8.58 ? 121 VAL H C 1 ATOM 2024 O O . VAL A 1 118 ? 70.895 11.271 91.156 1.00 10.50 ? 121 VAL H O 1 ATOM 2025 C CB . VAL A 1 118 ? 68.665 8.846 91.202 1.00 8.06 ? 121 VAL H CB 1 ATOM 2026 C CG1 . VAL A 1 118 ? 70.030 8.180 91.130 1.00 9.13 ? 121 VAL H CG1 1 ATOM 2027 C CG2 . VAL A 1 118 ? 67.983 8.588 92.523 1.00 8.10 ? 121 VAL H CG2 1 ATOM 2028 H H . VAL A 1 118 ? 69.435 9.897 89.089 1.00 9.92 ? 121 VAL H H 1 ATOM 2029 H HA . VAL A 1 118 ? 67.863 10.762 91.088 1.00 9.75 ? 121 VAL H HA 1 ATOM 2030 H HB . VAL A 1 118 ? 68.117 8.419 90.525 1.00 9.67 ? 121 VAL H HB 1 ATOM 2031 H HG11 . VAL A 1 118 ? 70.625 8.610 91.763 1.00 10.96 ? 121 VAL H HG11 1 ATOM 2032 H HG12 . VAL A 1 118 ? 69.934 7.240 91.350 1.00 10.96 ? 121 VAL H HG12 1 ATOM 2033 H HG13 . VAL A 1 118 ? 70.380 8.275 90.230 1.00 10.96 ? 121 VAL H HG13 1 ATOM 2034 H HG21 . VAL A 1 118 ? 67.075 8.926 92.481 1.00 9.71 ? 121 VAL H HG21 1 ATOM 2035 H HG22 . VAL A 1 118 ? 67.973 7.633 92.692 1.00 9.71 ? 121 VAL H HG22 1 ATOM 2036 H HG23 . VAL A 1 118 ? 68.474 9.043 93.225 1.00 9.71 ? 121 VAL H HG23 1 ATOM 2037 N N . CYS A 1 119 ? 69.523 11.451 92.913 1.00 8.38 ? 122 CYS H N 1 ATOM 2038 C CA . CYS A 1 119 ? 70.543 12.014 93.765 1.00 8.24 ? 122 CYS H CA 1 ATOM 2039 C C . CYS A 1 119 ? 71.347 10.912 94.448 1.00 8.43 ? 122 CYS H C 1 ATOM 2040 O O . CYS A 1 119 ? 70.820 9.859 94.776 1.00 8.91 ? 122 CYS H O 1 ATOM 2041 C CB . CYS A 1 119 ? 69.924 12.843 94.884 1.00 9.08 ? 122 CYS H CB 1 ATOM 2042 S SG . CYS A 1 119 ? 68.845 14.187 94.385 1.00 10.51 ? 122 CYS H SG 1 ATOM 2043 H H . CYS A 1 119 ? 68.747 11.390 93.279 1.00 10.06 ? 122 CYS H H 1 ATOM 2044 H HA . CYS A 1 119 ? 71.142 12.572 93.247 1.00 9.89 ? 122 CYS H HA 1 ATOM 2045 H HB2 . CYS A 1 119 ? 69.403 12.251 95.448 1.00 10.90 ? 122 CYS H HB2 1 ATOM 2046 H HB3 . CYS A 1 119 ? 70.644 13.232 95.406 1.00 10.90 ? 122 CYS H HB3 1 ATOM 2047 N N . LEU A 1 120 ? 72.600 11.211 94.763 1.00 9.86 ? 123 LEU H N 1 ATOM 2048 C CA . LEU A 1 120 ? 73.393 10.375 95.648 1.00 10.97 ? 123 LEU H CA 1 ATOM 2049 C C . LEU A 1 120 ? 73.320 10.959 97.055 1.00 10.54 ? 123 LEU H C 1 ATOM 2050 O O . LEU A 1 120 ? 73.285 12.159 97.233 1.00 11.21 ? 123 LEU H O 1 ATOM 2051 C CB . LEU A 1 120 ? 74.838 10.314 95.181 1.00 14.41 ? 123 LEU H CB 1 ATOM 2052 C CG . LEU A 1 120 ? 74.985 9.637 93.813 1.00 17.61 ? 123 LEU H CG 1 ATOM 2053 C CD1 . LEU A 1 120 ? 76.436 9.440 93.525 1.00 21.22 ? 123 LEU H CD1 1 ATOM 2054 C CD2 . LEU A 1 120 ? 74.247 8.272 93.720 1.00 19.04 ? 123 LEU H CD2 1 ATOM 2055 H H . LEU A 1 120 ? 73.019 11.903 94.471 1.00 11.83 ? 123 LEU H H 1 ATOM 2056 H HA . LEU A 1 120 ? 73.031 9.475 95.663 1.00 13.16 ? 123 LEU H HA 1 ATOM 2057 H HB2 . LEU A 1 120 ? 75.186 11.217 95.108 1.00 17.29 ? 123 LEU H HB2 1 ATOM 2058 H HB3 . LEU A 1 120 ? 75.358 9.808 95.825 1.00 17.29 ? 123 LEU H HB3 1 ATOM 2059 H HG . LEU A 1 120 ? 74.620 10.221 93.131 1.00 21.13 ? 123 LEU H HG 1 ATOM 2060 H HD11 . LEU A 1 120 ? 76.822 8.880 94.217 1.00 25.47 ? 123 LEU H HD11 1 ATOM 2061 H HD12 . LEU A 1 120 ? 76.531 9.011 92.660 1.00 25.47 ? 123 LEU H HD12 1 ATOM 2062 H HD13 . LEU A 1 120 ? 76.876 10.305 93.516 1.00 25.47 ? 123 LEU H HD13 1 ATOM 2063 H HD21 . LEU A 1 120 ? 73.301 8.413 93.881 1.00 22.85 ? 123 LEU H HD21 1 ATOM 2064 H HD22 . LEU A 1 120 ? 74.381 7.901 92.834 1.00 22.85 ? 123 LEU H HD22 1 ATOM 2065 H HD23 . LEU A 1 120 ? 74.611 7.671 94.389 1.00 22.85 ? 123 LEU H HD23 1 ATOM 2066 N N . PRO A 1 121 ? 73.275 10.101 98.078 1.00 11.34 ? 124 PRO H N 1 ATOM 2067 C CA . PRO A 1 121 ? 73.081 10.602 99.438 1.00 12.55 ? 124 PRO H CA 1 ATOM 2068 C C . PRO A 1 121 ? 74.275 11.340 99.982 1.00 13.07 ? 124 PRO H C 1 ATOM 2069 O O . PRO A 1 121 ? 75.419 11.006 99.717 1.00 14.69 ? 124 PRO H O 1 ATOM 2070 C CB . PRO A 1 121 ? 72.833 9.330 100.243 1.00 14.49 ? 124 PRO H CB 1 ATOM 2071 C CG . PRO A 1 121 ? 73.498 8.257 99.475 1.00 15.09 ? 124 PRO H CG 1 ATOM 2072 C CD . PRO A 1 121 ? 73.264 8.638 98.041 1.00 13.10 ? 124 PRO H CD 1 ATOM 2073 H HA . PRO A 1 121 ? 72.298 11.172 99.482 1.00 15.06 ? 124 PRO H HA 1 ATOM 2074 H HB2 . PRO A 1 121 ? 73.229 9.418 101.124 1.00 17.38 ? 124 PRO H HB2 1 ATOM 2075 H HB3 . PRO A 1 121 ? 71.879 9.165 100.309 1.00 17.38 ? 124 PRO H HB3 1 ATOM 2076 H HG2 . PRO A 1 121 ? 74.446 8.244 99.679 1.00 18.11 ? 124 PRO H HG2 1 ATOM 2077 H HG3 . PRO A 1 121 ? 73.086 7.403 99.678 1.00 18.11 ? 124 PRO H HG3 1 ATOM 2078 H HD2 . PRO A 1 121 ? 73.983 8.308 97.480 1.00 15.72 ? 124 PRO H HD2 1 ATOM 2079 H HD3 . PRO A 1 121 ? 72.400 8.314 97.740 1.00 15.72 ? 124 PRO H HD3 1 ATOM 2080 N N . ASP A 1 122 ? 73.964 12.356 100.767 1.00 14.44 ? 125 ASP H N 1 ATOM 2081 C CA . ASP A 1 122 ? 74.898 12.991 101.673 1.00 16.16 ? 125 ASP H CA 1 ATOM 2082 C C . ASP A 1 122 ? 74.924 12.177 102.970 1.00 15.09 ? 125 ASP H C 1 ATOM 2083 O O . ASP A 1 122 ? 74.065 11.332 103.214 1.00 14.30 ? 125 ASP H O 1 ATOM 2084 C CB . ASP A 1 122 ? 74.431 14.427 101.980 1.00 17.95 ? 125 ASP H CB 1 ATOM 2085 C CG . ASP A 1 122 ? 73.041 14.440 102.591 1.00 18.92 ? 125 ASP H CG 1 ATOM 2086 O OD1 . ASP A 1 122 ? 72.046 14.348 101.834 1.00 19.46 ? 125 ASP H OD1 1 ATOM 2087 O OD2 . ASP A 1 122 ? 72.945 14.483 103.836 1.00 20.52 ? 125 ASP H OD2 1 ATOM 2088 H H . ASP A 1 122 ? 73.180 12.709 100.792 1.00 17.33 ? 125 ASP H H 1 ATOM 2089 H HA . ASP A 1 122 ? 75.787 13.013 101.286 1.00 19.39 ? 125 ASP H HA 1 ATOM 2090 H HB2 . ASP A 1 122 ? 75.045 14.835 102.610 1.00 21.54 ? 125 ASP H HB2 1 ATOM 2091 H HB3 . ASP A 1 122 ? 74.407 14.938 101.156 1.00 21.54 ? 125 ASP H HB3 1 ATOM 2092 N N . ARG A 1 123 ? 75.892 12.456 103.837 1.00 15.52 ? 126 ARG H N 1 ATOM 2093 C CA . ARG A 1 123 ? 76.060 11.693 105.067 1.00 16.54 ? 126 ARG H CA 1 ATOM 2094 C C . ARG A 1 123 ? 74.814 11.738 105.951 1.00 15.32 ? 126 ARG H C 1 ATOM 2095 O O . ARG A 1 123 ? 74.438 10.756 106.580 1.00 15.90 ? 126 ARG H O 1 ATOM 2096 C CB . ARG A 1 123 ? 77.265 12.227 105.852 1.00 18.66 ? 126 ARG H CB 1 ATOM 2097 C CG . ARG A 1 123 ? 77.536 11.464 107.134 1.00 21.60 ? 126 ARG H CG 1 ATOM 2098 C CD . ARG A 1 123 ? 78.782 11.969 107.866 1.00 25.97 ? 126 ARG H CD 1 ATOM 2099 N NE . ARG A 1 123 ? 79.980 11.938 107.028 1.00 30.39 ? 126 ARG H NE 1 ATOM 2100 C CZ . ARG A 1 123 ? 80.761 10.875 106.856 1.00 33.56 ? 126 ARG H CZ 1 ATOM 2101 N NH1 . ARG A 1 123 ? 80.489 9.727 107.462 1.00 34.49 ? 126 ARG H NH1 1 ATOM 2102 N NH2 . ARG A 1 123 ? 81.821 10.963 106.065 1.00 35.32 ? 126 ARG H NH2 1 ATOM 2103 H H . ARG A 1 123 ? 76.467 13.087 103.734 1.00 18.63 ? 126 ARG H H 1 ATOM 2104 H HA . ARG A 1 123 ? 76.235 10.766 104.842 1.00 19.85 ? 126 ARG H HA 1 ATOM 2105 H HB2 . ARG A 1 123 ? 78.057 12.162 105.295 1.00 22.40 ? 126 ARG H HB2 1 ATOM 2106 H HB3 . ARG A 1 123 ? 77.102 13.154 106.086 1.00 22.40 ? 126 ARG H HB3 1 ATOM 2107 H HG2 . ARG A 1 123 ? 76.776 11.565 107.728 1.00 25.92 ? 126 ARG H HG2 1 ATOM 2108 H HG3 . ARG A 1 123 ? 77.670 10.527 106.922 1.00 25.92 ? 126 ARG H HG3 1 ATOM 2109 H HD2 . ARG A 1 123 ? 78.635 12.886 108.145 1.00 31.17 ? 126 ARG H HD2 1 ATOM 2110 H HD3 . ARG A 1 123 ? 78.943 11.408 108.640 1.00 31.17 ? 126 ARG H HD3 1 ATOM 2111 H HE . ARG A 1 123 ? 80.196 12.661 106.616 1.00 36.47 ? 126 ARG H HE 1 ATOM 2112 H HH11 . ARG A 1 123 ? 79.801 9.664 107.974 1.00 41.39 ? 126 ARG H HH11 1 ATOM 2113 H HH12 . ARG A 1 123 ? 81.001 9.047 107.343 1.00 41.39 ? 126 ARG H HH12 1 ATOM 2114 H HH21 . ARG A 1 123 ? 82.003 11.705 105.670 1.00 42.38 ? 126 ARG H HH21 1 ATOM 2115 H HH22 . ARG A 1 123 ? 82.330 10.279 105.951 1.00 42.38 ? 126 ARG H HH22 1 ATOM 2116 N N . GLU A 1 124 ? 74.195 12.904 106.022 1.00 16.07 ? 127 GLU H N 1 ATOM 2117 C CA . GLU A 1 124 ? 73.064 13.106 106.911 1.00 17.21 ? 127 GLU H CA 1 ATOM 2118 C C . GLU A 1 124 ? 71.800 12.385 106.430 1.00 15.67 ? 127 GLU H C 1 ATOM 2119 O O . GLU A 1 124 ? 71.073 11.780 107.215 1.00 15.40 ? 127 GLU H O 1 ATOM 2120 C CB . GLU A 1 124 ? 72.808 14.607 107.071 1.00 20.86 ? 127 GLU H CB 1 ATOM 2121 C CG . GLU A 1 124 ? 73.898 15.341 107.830 1.00 23.35 ? 127 GLU H CG 1 ATOM 2122 C CD . GLU A 1 124 ? 75.204 15.499 107.067 1.00 26.22 ? 127 GLU H CD 1 ATOM 2123 O OE1 . GLU A 1 124 ? 75.180 15.930 105.893 1.00 26.98 ? 127 GLU H OE1 1 ATOM 2124 O OE2 . GLU A 1 124 ? 76.267 15.214 107.664 1.00 29.47 ? 127 GLU H OE2 1 ATOM 2125 H H . GLU A 1 124 ? 74.411 13.599 105.563 1.00 19.29 ? 127 GLU H H 1 ATOM 2126 H HA . GLU A 1 124 ? 73.290 12.751 107.785 1.00 20.65 ? 127 GLU H HA 1 ATOM 2127 H HB2 . GLU A 1 124 ? 72.739 15.007 106.191 1.00 25.04 ? 127 GLU H HB2 1 ATOM 2128 H HB3 . GLU A 1 124 ? 71.976 14.731 107.554 1.00 25.04 ? 127 GLU H HB3 1 ATOM 2129 H HG2 . GLU A 1 124 ? 73.577 16.229 108.052 1.00 28.02 ? 127 GLU H HG2 1 ATOM 2130 H HG3 . GLU A 1 124 ? 74.092 14.851 108.645 1.00 28.02 ? 127 GLU H HG3 1 ATOM 2131 N N . THR A 1 125 ? 71.527 12.462 105.145 1.00 14.66 ? 128 THR H N 1 ATOM 2132 C CA . THR A 1 125 ? 70.392 11.739 104.602 1.00 14.10 ? 128 THR H CA 1 ATOM 2133 C C . THR A 1 125 ? 70.605 10.225 104.779 1.00 12.97 ? 128 THR H C 1 ATOM 2134 O O . THR A 1 125 ? 69.693 9.497 105.156 1.00 13.01 ? 128 THR H O 1 ATOM 2135 C CB . THR A 1 125 ? 70.163 12.122 103.127 1.00 15.13 ? 128 THR H CB 1 ATOM 2136 O OG1 . THR A 1 125 ? 69.882 13.523 103.056 1.00 15.16 ? 128 THR H OG1 1 ATOM 2137 C CG2 . THR A 1 125 ? 68.999 11.369 102.525 1.00 16.13 ? 128 THR H CG2 1 ATOM 2138 H H . THR A 1 125 ? 71.974 12.919 104.570 1.00 17.59 ? 128 THR H H 1 ATOM 2139 H HA . THR A 1 125 ? 69.597 11.986 105.099 1.00 16.92 ? 128 THR H HA 1 ATOM 2140 H HB . THR A 1 125 ? 70.960 11.923 102.611 1.00 18.16 ? 128 THR H HB 1 ATOM 2141 H HG1 . THR A 1 125 ? 69.755 13.750 102.257 1.00 18.20 ? 128 THR H HG1 1 ATOM 2142 H HG21 . THR A 1 125 ? 68.186 11.568 103.017 1.00 19.35 ? 128 THR H HG21 1 ATOM 2143 H HG22 . THR A 1 125 ? 68.879 11.630 101.599 1.00 19.35 ? 128 THR H HG22 1 ATOM 2144 H HG23 . THR A 1 125 ? 69.165 10.414 102.565 1.00 19.35 ? 128 THR H HG23 1 ATOM 2145 N N . ALA A 1 126 ? 71.821 9.750 104.551 1.00 12.65 ? 129 ALA H N 1 ATOM 2146 C CA . ALA A 1 126 ? 72.116 8.348 104.765 1.00 13.65 ? 129 ALA H CA 1 ATOM 2147 C C . ALA A 1 126 ? 71.931 7.933 106.229 1.00 13.64 ? 129 ALA H C 1 ATOM 2148 O O . ALA A 1 126 ? 71.302 6.900 106.522 1.00 14.64 ? 129 ALA H O 1 ATOM 2149 C CB . ALA A 1 126 ? 73.522 8.007 104.285 1.00 15.85 ? 129 ALA H CB 1 ATOM 2150 H H . ALA A 1 126 ? 72.487 10.218 104.274 1.00 15.18 ? 129 ALA H H 1 ATOM 2151 H HA . ALA A 1 126 ? 71.496 7.823 104.236 1.00 16.37 ? 129 ALA H HA 1 ATOM 2152 H HB1 . ALA A 1 126 ? 74.163 8.543 104.779 1.00 19.02 ? 129 ALA H HB1 1 ATOM 2153 H HB2 . ALA A 1 126 ? 73.689 7.065 104.442 1.00 19.02 ? 129 ALA H HB2 1 ATOM 2154 H HB3 . ALA A 1 126 ? 73.588 8.203 103.337 1.00 19.02 ? 129 ALA H HB3 1 ATOM 2155 N N . ALA A 1 127 A 72.458 8.730 107.155 1.00 14.43 ? 129 ALA H N 1 ATOM 2156 C CA . ALA A 1 127 A 72.319 8.397 108.557 1.00 15.40 ? 129 ALA H CA 1 ATOM 2157 C C . ALA A 1 127 A 70.854 8.374 108.972 1.00 15.02 ? 129 ALA H C 1 ATOM 2158 O O . ALA A 1 127 A 70.431 7.520 109.756 1.00 17.61 ? 129 ALA H O 1 ATOM 2159 C CB . ALA A 1 127 A 73.103 9.382 109.425 1.00 17.00 ? 129 ALA H CB 1 ATOM 2160 H H . ALA A 1 127 A 72.892 9.455 106.996 1.00 17.31 ? 129 ALA H H 1 ATOM 2161 H HA . ALA A 1 127 A 72.685 7.512 108.707 1.00 18.49 ? 129 ALA H HA 1 ATOM 2162 H HB1 . ALA A 1 127 A 72.760 10.277 109.275 1.00 20.40 ? 129 ALA H HB1 1 ATOM 2163 H HB2 . ALA A 1 127 A 72.993 9.137 110.357 1.00 20.40 ? 129 ALA H HB2 1 ATOM 2164 H HB3 . ALA A 1 127 A 74.041 9.341 109.180 1.00 20.40 ? 129 ALA H HB3 1 ATOM 2165 N N . SER A 1 128 B 70.074 9.314 108.451 1.00 13.61 ? 129 SER H N 1 ATOM 2166 C CA . SER A 1 128 B 68.675 9.398 108.830 1.00 14.73 ? 129 SER H CA 1 ATOM 2167 C C . SER A 1 128 B 67.816 8.283 108.266 1.00 13.77 ? 129 SER H C 1 ATOM 2168 O O . SER A 1 128 B 66.900 7.811 108.927 1.00 16.97 ? 129 SER H O 1 ATOM 2169 C CB . SER A 1 128 B 68.079 10.705 108.341 1.00 17.17 ? 129 SER H CB 1 ATOM 2170 O OG . SER A 1 128 B 66.709 10.731 108.636 1.00 20.46 ? 129 SER H OG 1 ATOM 2171 H H . SER A 1 128 B 70.328 9.907 107.883 1.00 16.33 ? 129 SER H H 1 ATOM 2172 H HA . SER A 1 128 B 68.605 9.376 109.797 1.00 17.68 ? 129 SER H HA 1 ATOM 2173 H HB2 . SER A 1 128 B 68.517 11.445 108.789 1.00 20.61 ? 129 SER H HB2 1 ATOM 2174 H HB3 . SER A 1 128 B 68.200 10.773 107.381 1.00 20.61 ? 129 SER H HB3 1 ATOM 2175 H HG . SER A 1 128 B 66.371 11.452 108.368 1.00 24.55 ? 129 SER H HG 1 ATOM 2176 N N . LEU A 1 129 C 68.078 7.884 107.029 1.00 11.93 ? 129 LEU H N 1 ATOM 2177 C CA . LEU A 1 129 C 67.161 6.974 106.343 1.00 12.16 ? 129 LEU H CA 1 ATOM 2178 C C . LEU A 1 129 C 67.579 5.511 106.350 1.00 11.55 ? 129 LEU H C 1 ATOM 2179 O O . LEU A 1 129 C 66.720 4.653 106.162 1.00 11.22 ? 129 LEU H O 1 ATOM 2180 C CB . LEU A 1 129 C 66.938 7.417 104.902 1.00 13.64 ? 129 LEU H CB 1 ATOM 2181 C CG . LEU A 1 129 C 66.273 8.785 104.789 1.00 16.61 ? 129 LEU H CG 1 ATOM 2182 C CD1 . LEU A 1 129 C 66.001 9.083 103.321 1.00 18.14 ? 129 LEU H CD1 1 ATOM 2183 C CD2 . LEU A 1 129 C 64.971 8.877 105.591 1.00 19.18 ? 129 LEU H CD2 1 ATOM 2184 H H . LEU A 1 129 C 68.766 8.119 106.569 1.00 14.32 ? 129 LEU H H 1 ATOM 2185 H HA . LEU A 1 129 C 66.302 7.024 106.791 1.00 14.59 ? 129 LEU H HA 1 ATOM 2186 H HB2 . LEU A 1 129 C 67.795 7.464 104.451 1.00 16.36 ? 129 LEU H HB2 1 ATOM 2187 H HB3 . LEU A 1 129 C 66.366 6.770 104.459 1.00 16.36 ? 129 LEU H HB3 1 ATOM 2188 H HG . LEU A 1 129 C 66.881 9.462 105.125 1.00 19.94 ? 129 LEU H HG 1 ATOM 2189 H HD11 . LEU A 1 129 C 65.414 8.398 102.964 1.00 21.77 ? 129 LEU H HD11 1 ATOM 2190 H HD12 . LEU A 1 129 C 65.578 9.952 103.248 1.00 21.77 ? 129 LEU H HD12 1 ATOM 2191 H HD13 . LEU A 1 129 C 66.843 9.082 102.838 1.00 21.77 ? 129 LEU H HD13 1 ATOM 2192 H HD21 . LEU A 1 129 C 65.165 8.712 106.527 1.00 23.02 ? 129 LEU H HD21 1 ATOM 2193 H HD22 . LEU A 1 129 C 64.595 9.764 105.482 1.00 23.02 ? 129 LEU H HD22 1 ATOM 2194 H HD23 . LEU A 1 129 C 64.349 8.210 105.260 1.00 23.02 ? 129 LEU H HD23 1 ATOM 2195 N N . LEU A 1 130 ? 68.860 5.206 106.554 1.00 11.90 ? 130 LEU H N 1 ATOM 2196 C CA A LEU A 1 130 ? 69.322 3.812 106.566 0.59 12.73 ? 130 LEU H CA 1 ATOM 2197 C CA B LEU A 1 130 ? 69.292 3.801 106.499 0.41 12.55 ? 130 LEU H CA 1 ATOM 2198 C C . LEU A 1 130 ? 69.101 3.166 107.900 1.00 12.96 ? 130 LEU H C 1 ATOM 2199 O O . LEU A 1 130 ? 70.047 2.919 108.655 1.00 15.69 ? 130 LEU H O 1 ATOM 2200 C CB A LEU A 1 130 ? 70.807 3.713 106.250 0.59 13.22 ? 130 LEU H CB 1 ATOM 2201 C CB B LEU A 1 130 ? 70.720 3.648 105.927 0.41 13.28 ? 130 LEU H CB 1 ATOM 2202 C CG A LEU A 1 130 ? 71.069 4.057 104.805 0.59 12.61 ? 130 LEU H CG 1 ATOM 2203 C CG B LEU A 1 130 ? 70.977 2.373 105.090 0.41 13.35 ? 130 LEU H CG 1 ATOM 2204 C CD1 A LEU A 1 130 ? 72.542 3.994 104.496 0.59 12.91 ? 130 LEU H CD1 1 ATOM 2205 C CD1 B LEU A 1 130 ? 70.302 2.383 103.721 0.41 13.52 ? 130 LEU H CD1 1 ATOM 2206 C CD2 A LEU A 1 130 ? 70.315 3.147 103.844 0.59 12.85 ? 130 LEU H CD2 1 ATOM 2207 C CD2 B LEU A 1 130 ? 72.464 2.093 104.948 0.41 13.73 ? 130 LEU H CD2 1 ATOM 2208 H H A LEU A 1 130 ? 69.483 5.785 106.687 0.59 14.28 ? 130 LEU H H 1 ATOM 2209 H H B LEU A 1 130 ? 69.485 5.773 106.721 0.41 14.28 ? 130 LEU H H 1 ATOM 2210 H HA A LEU A 1 130 ? 68.834 3.307 105.898 0.59 15.28 ? 130 LEU H HA 1 ATOM 2211 H HA B LEU A 1 130 ? 68.698 3.331 105.894 0.41 15.06 ? 130 LEU H HA 1 ATOM 2212 H HB2 A LEU A 1 130 ? 71.298 4.337 106.807 0.59 15.86 ? 130 LEU H HB2 1 ATOM 2213 H HB2 B LEU A 1 130 ? 70.904 4.411 105.357 0.41 15.94 ? 130 LEU H HB2 1 ATOM 2214 H HB3 A LEU A 1 130 ? 71.111 2.806 106.409 0.59 15.86 ? 130 LEU H HB3 1 ATOM 2215 H HB3 B LEU A 1 130 ? 71.346 3.640 106.667 0.41 15.94 ? 130 LEU H HB3 1 ATOM 2216 H HG A LEU A 1 130 ? 70.772 4.966 104.644 0.59 15.13 ? 130 LEU H HG 1 ATOM 2217 H HG B LEU A 1 130 ? 70.600 1.624 105.578 0.41 16.02 ? 130 LEU H HG 1 ATOM 2218 H HD11 A LEU A 1 130 ? 72.862 3.095 104.670 0.59 15.50 ? 130 LEU H HD11 1 ATOM 2219 H HD11 B LEU A 1 130 ? 70.635 3.138 103.211 0.41 16.23 ? 130 LEU H HD11 1 ATOM 2220 H HD12 A LEU A 1 130 ? 72.678 4.219 103.562 0.59 15.50 ? 130 LEU H HD12 1 ATOM 2221 H HD12 B LEU A 1 130 ? 70.510 1.555 103.261 0.41 16.23 ? 130 LEU H HD12 1 ATOM 2222 H HD13 A LEU A 1 130 ? 73.010 4.627 105.061 0.59 15.50 ? 130 LEU H HD13 1 ATOM 2223 H HD13 B LEU A 1 130 ? 69.343 2.463 103.843 0.41 16.23 ? 130 LEU H HD13 1 ATOM 2224 H HD21 A LEU A 1 130 ? 69.363 3.234 104.008 0.59 15.42 ? 130 LEU H HD21 1 ATOM 2225 H HD21 B LEU A 1 130 ? 72.848 1.969 105.831 0.41 16.47 ? 130 LEU H HD21 1 ATOM 2226 H HD22 A LEU A 1 130 ? 70.520 3.413 102.933 0.59 15.42 ? 130 LEU H HD22 1 ATOM 2227 H HD22 B LEU A 1 130 ? 72.585 1.289 104.420 0.41 16.47 ? 130 LEU H HD22 1 ATOM 2228 H HD23 A LEU A 1 130 ? 70.595 2.231 103.993 0.59 15.42 ? 130 LEU H HD23 1 ATOM 2229 H HD23 B LEU A 1 130 ? 72.886 2.846 104.507 0.41 16.47 ? 130 LEU H HD23 1 ATOM 2230 N N . GLN A 1 131 ? 67.846 2.906 108.208 1.00 12.49 ? 131 GLN H N 1 ATOM 2231 C CA . GLN A 1 131 ? 67.421 2.384 109.494 1.00 12.63 ? 131 GLN H CA 1 ATOM 2232 C C . GLN A 1 131 ? 66.531 1.182 109.251 1.00 12.01 ? 131 GLN H C 1 ATOM 2233 O O . GLN A 1 131 ? 65.721 1.183 108.331 1.00 11.38 ? 131 GLN H O 1 ATOM 2234 C CB . GLN A 1 131 ? 66.637 3.435 110.276 1.00 14.17 ? 131 GLN H CB 1 ATOM 2235 C CG . GLN A 1 131 ? 67.454 4.663 110.603 1.00 17.97 ? 131 GLN H CG 1 ATOM 2236 C CD . GLN A 1 131 ? 66.838 5.456 111.718 1.00 21.01 ? 131 GLN H CD 1 ATOM 2237 O OE1 . GLN A 1 131 ? 66.624 4.935 112.816 1.00 23.77 ? 131 GLN H OE1 1 ATOM 2238 N NE2 . GLN A 1 131 ? 66.520 6.710 111.448 1.00 22.16 ? 131 GLN H NE2 1 ATOM 2239 H H . GLN A 1 131 ? 67.192 3.029 107.663 1.00 14.99 ? 131 GLN H H 1 ATOM 2240 H HA . GLN A 1 131 ? 68.192 2.110 110.015 1.00 15.15 ? 131 GLN H HA 1 ATOM 2241 H HB2 . GLN A 1 131 ? 65.873 3.716 109.748 1.00 17.00 ? 131 GLN H HB2 1 ATOM 2242 H HB3 . GLN A 1 131 ? 66.335 3.045 111.112 1.00 17.00 ? 131 GLN H HB3 1 ATOM 2243 H HG2 . GLN A 1 131 ? 68.344 4.391 110.880 1.00 21.56 ? 131 GLN H HG2 1 ATOM 2244 H HG3 . GLN A 1 131 ? 67.506 5.231 109.818 1.00 21.56 ? 131 GLN H HG3 1 ATOM 2245 H HE21 . GLN A 1 131 ? 66.669 7.032 110.664 1.00 26.59 ? 131 GLN H HE21 1 ATOM 2246 H HE22 . GLN A 1 131 ? 66.164 7.204 112.055 1.00 26.59 ? 131 GLN H HE22 1 ATOM 2247 N N . ALA A 1 132 ? 66.660 0.182 110.112 1.00 12.64 ? 132 ALA H N 1 ATOM 2248 C CA . ALA A 1 132 ? 65.809 -0.993 110.038 1.00 12.57 ? 132 ALA H CA 1 ATOM 2249 C C . ALA A 1 132 ? 64.338 -0.599 110.060 1.00 11.59 ? 132 ALA H C 1 ATOM 2250 O O . ALA A 1 132 ? 63.902 0.213 110.874 1.00 13.11 ? 132 ALA H O 1 ATOM 2251 C CB . ALA A 1 132 ? 66.125 -1.992 111.146 1.00 14.24 ? 132 ALA H CB 1 ATOM 2252 H H . ALA A 1 132 ? 67.235 0.160 110.752 1.00 15.17 ? 132 ALA H H 1 ATOM 2253 H HA . ALA A 1 132 ? 65.977 -1.438 109.192 1.00 15.08 ? 132 ALA H HA 1 ATOM 2254 H HB1 . ALA A 1 132 ? 65.985 -1.564 112.005 1.00 17.09 ? 132 ALA H HB1 1 ATOM 2255 H HB2 . ALA A 1 132 ? 65.536 -2.757 111.058 1.00 17.09 ? 132 ALA H HB2 1 ATOM 2256 H HB3 . ALA A 1 132 ? 67.049 -2.274 111.063 1.00 17.09 ? 132 ALA H HB3 1 ATOM 2257 N N . GLY A 1 133 ? 63.577 -1.185 109.142 1.00 11.24 ? 133 GLY H N 1 ATOM 2258 C CA . GLY A 1 133 ? 62.167 -0.922 109.004 1.00 11.48 ? 133 GLY H CA 1 ATOM 2259 C C . GLY A 1 133 ? 61.837 0.129 107.959 1.00 10.68 ? 133 GLY H C 1 ATOM 2260 O O . GLY A 1 133 ? 60.747 0.130 107.402 1.00 11.54 ? 133 GLY H O 1 ATOM 2261 H H . GLY A 1 133 ? 63.874 -1.757 108.573 1.00 13.49 ? 133 GLY H H 1 ATOM 2262 H HA2 . GLY A 1 133 ? 61.713 -1.744 108.761 1.00 13.78 ? 133 GLY H HA2 1 ATOM 2263 H HA3 . GLY A 1 133 ? 61.814 -0.622 109.857 1.00 13.78 ? 133 GLY H HA3 1 ATOM 2264 N N . TYR A 1 134 ? 62.762 1.043 107.694 1.00 10.17 ? 134 TYR H N 1 ATOM 2265 C CA . TYR A 1 134 ? 62.527 2.069 106.695 1.00 9.55 ? 134 TYR H CA 1 ATOM 2266 C C . TYR A 1 134 ? 62.575 1.400 105.324 1.00 8.90 ? 134 TYR H C 1 ATOM 2267 O O . TYR A 1 134 ? 63.456 0.593 105.042 1.00 9.56 ? 134 TYR H O 1 ATOM 2268 C CB . TYR A 1 134 ? 63.585 3.152 106.781 1.00 9.51 ? 134 TYR H CB 1 ATOM 2269 C CG . TYR A 1 134 ? 63.463 4.125 107.931 1.00 11.05 ? 134 TYR H CG 1 ATOM 2270 C CD1 . TYR A 1 134 ? 62.897 3.776 109.162 1.00 13.53 ? 134 TYR H CD1 1 ATOM 2271 C CD2 . TYR A 1 134 ? 63.935 5.404 107.792 1.00 13.09 ? 134 TYR H CD2 1 ATOM 2272 C CE1 . TYR A 1 134 ? 62.821 4.676 110.204 1.00 14.92 ? 134 TYR H CE1 1 ATOM 2273 C CE2 . TYR A 1 134 ? 63.855 6.316 108.834 1.00 15.16 ? 134 TYR H CE2 1 ATOM 2274 C CZ . TYR A 1 134 ? 63.301 5.950 110.039 1.00 16.49 ? 134 TYR H CZ 1 ATOM 2275 O OH . TYR A 1 134 ? 63.232 6.864 111.079 1.00 19.93 ? 134 TYR H OH 1 ATOM 2276 H H . TYR A 1 134 ? 63.530 1.089 108.078 1.00 12.21 ? 134 TYR H H 1 ATOM 2277 H HA . TYR A 1 134 ? 61.652 2.467 106.824 1.00 11.45 ? 134 TYR H HA 1 ATOM 2278 H HB2 . TYR A 1 134 ? 64.452 2.724 106.859 1.00 11.41 ? 134 TYR H HB2 1 ATOM 2279 H HB3 . TYR A 1 134 ? 63.556 3.671 105.962 1.00 11.41 ? 134 TYR H HB3 1 ATOM 2280 H HD1 . TYR A 1 134 ? 62.576 2.912 109.285 1.00 16.23 ? 134 TYR H HD1 1 ATOM 2281 H HD2 . TYR A 1 134 ? 64.319 5.664 106.986 1.00 15.70 ? 134 TYR H HD2 1 ATOM 2282 H HE1 . TYR A 1 134 ? 62.442 4.422 111.014 1.00 17.91 ? 134 TYR H HE1 1 ATOM 2283 H HE2 . TYR A 1 134 ? 64.185 7.178 108.719 1.00 18.19 ? 134 TYR H HE2 1 ATOM 2284 H HH . TYR A 1 134 ? 63.561 7.599 110.839 1.00 23.91 ? 134 TYR H HH 1 ATOM 2285 N N . LYS A 1 135 ? 61.624 1.759 104.470 1.00 8.69 ? 135 LYS H N 1 ATOM 2286 C CA . LYS A 1 135 ? 61.506 1.120 103.155 1.00 8.68 ? 135 LYS H CA 1 ATOM 2287 C C . LYS A 1 135 ? 62.168 1.921 102.053 1.00 8.54 ? 135 LYS H C 1 ATOM 2288 O O . LYS A 1 135 ? 62.116 3.159 102.008 1.00 9.48 ? 135 LYS H O 1 ATOM 2289 C CB . LYS A 1 135 ? 60.041 0.894 102.813 1.00 9.39 ? 135 LYS H CB 1 ATOM 2290 C CG . LYS A 1 135 ? 59.361 -0.126 103.702 1.00 9.88 ? 135 LYS H CG 1 ATOM 2291 C CD . LYS A 1 135 ? 57.882 -0.244 103.397 1.00 10.45 ? 135 LYS H CD 1 ATOM 2292 C CE . LYS A 1 135 ? 57.211 -1.310 104.264 1.00 11.96 ? 135 LYS H CE 1 ATOM 2293 N NZ . LYS A 1 135 ? 55.751 -1.343 104.008 1.00 12.29 ? 135 LYS H NZ 1 ATOM 2294 H H . LYS A 1 135 ? 61.035 2.366 104.622 1.00 10.43 ? 135 LYS H H 1 ATOM 2295 H HA . LYS A 1 135 ? 61.940 0.253 103.190 1.00 10.42 ? 135 LYS H HA 1 ATOM 2296 H HB2 . LYS A 1 135 ? 59.565 1.733 102.906 1.00 11.27 ? 135 LYS H HB2 1 ATOM 2297 H HB3 . LYS A 1 135 ? 59.978 0.579 101.898 1.00 11.27 ? 135 LYS H HB3 1 ATOM 2298 H HG2 . LYS A 1 135 ? 59.769 -0.995 103.562 1.00 11.85 ? 135 LYS H HG2 1 ATOM 2299 H HG3 . LYS A 1 135 ? 59.458 0.143 104.629 1.00 11.85 ? 135 LYS H HG3 1 ATOM 2300 H HD2 . LYS A 1 135 ? 57.451 0.606 103.573 1.00 12.54 ? 135 LYS H HD2 1 ATOM 2301 H HD3 . LYS A 1 135 ? 57.767 -0.493 102.466 1.00 12.54 ? 135 LYS H HD3 1 ATOM 2302 H HE2 . LYS A 1 135 ? 57.581 -2.181 104.049 1.00 14.35 ? 135 LYS H HE2 1 ATOM 2303 H HE3 . LYS A 1 135 ? 57.355 -1.102 105.200 1.00 14.35 ? 135 LYS H HE3 1 ATOM 2304 H HZ1 . LYS A 1 135 ? 55.596 -1.533 103.152 1.00 14.75 ? 135 LYS H HZ1 1 ATOM 2305 H HZ2 . LYS A 1 135 ? 55.368 -1.966 104.516 1.00 14.75 ? 135 LYS H HZ2 1 ATOM 2306 H HZ3 . LYS A 1 135 ? 55.391 -0.552 104.199 1.00 14.75 ? 135 LYS H HZ3 1 ATOM 2307 N N . GLY A 1 136 ? 62.765 1.185 101.125 1.00 8.30 ? 136 GLY H N 1 ATOM 2308 C CA . GLY A 1 136 ? 63.202 1.704 99.858 1.00 8.02 ? 136 GLY H CA 1 ATOM 2309 C C . GLY A 1 136 ? 62.522 0.972 98.728 1.00 8.03 ? 136 GLY H C 1 ATOM 2310 O O . GLY A 1 136 ? 61.674 0.116 98.943 1.00 9.97 ? 136 GLY H O 1 ATOM 2311 H H . GLY A 1 136 ? 62.931 0.346 101.221 1.00 9.96 ? 136 GLY H H 1 ATOM 2312 H HA2 . GLY A 1 136 ? 62.986 2.648 99.796 1.00 9.62 ? 136 GLY H HA2 1 ATOM 2313 H HA3 . GLY A 1 136 ? 64.162 1.596 99.770 1.00 9.62 ? 136 GLY H HA3 1 ATOM 2314 N N . ARG A 1 137 ? 62.894 1.344 97.512 1.00 8.18 ? 137 ARG H N 1 ATOM 2315 C CA . ARG A 1 137 ? 62.224 0.883 96.310 1.00 8.02 ? 137 ARG H CA 1 ATOM 2316 C C . ARG A 1 137 ? 63.280 0.342 95.369 1.00 7.60 ? 137 ARG H C 1 ATOM 2317 O O . ARG A 1 137 ? 64.292 0.992 95.095 1.00 7.83 ? 137 ARG H O 1 ATOM 2318 C CB . ARG A 1 137 ? 61.466 2.040 95.671 1.00 8.36 ? 137 ARG H CB 1 ATOM 2319 C CG . ARG A 1 137 ? 60.875 1.714 94.331 1.00 8.15 ? 137 ARG H CG 1 ATOM 2320 C CD . ARG A 1 137 ? 60.090 2.870 93.786 1.00 9.15 ? 137 ARG H CD 1 ATOM 2321 N NE . ARG A 1 137 ? 58.870 3.085 94.532 1.00 8.91 ? 137 ARG H NE 1 ATOM 2322 C CZ . ARG A 1 137 ? 58.062 4.120 94.311 1.00 8.97 ? 137 ARG H CZ 1 ATOM 2323 N NH1 . ARG A 1 137 ? 58.425 5.064 93.451 1.00 9.01 ? 137 ARG H NH1 1 ATOM 2324 N NH2 . ARG A 1 137 ? 56.937 4.267 94.993 1.00 9.56 ? 137 ARG H NH2 1 ATOM 2325 H H . ARG A 1 137 ? 63.550 1.878 97.355 1.00 9.82 ? 137 ARG H H 1 ATOM 2326 H HA . ARG A 1 137 ? 61.598 0.175 96.527 1.00 9.62 ? 137 ARG H HA 1 ATOM 2327 H HB2 . ARG A 1 137 ? 60.741 2.302 96.259 1.00 10.03 ? 137 ARG H HB2 1 ATOM 2328 H HB3 . ARG A 1 137 ? 62.077 2.785 95.552 1.00 10.03 ? 137 ARG H HB3 1 ATOM 2329 H HG2 . ARG A 1 137 ? 61.589 1.508 93.707 1.00 9.78 ? 137 ARG H HG2 1 ATOM 2330 H HG3 . ARG A 1 137 ? 60.278 0.955 94.421 1.00 9.78 ? 137 ARG H HG3 1 ATOM 2331 H HD2 . ARG A 1 137 ? 60.626 3.676 93.842 1.00 10.98 ? 137 ARG H HD2 1 ATOM 2332 H HD3 . ARG A 1 137 ? 59.853 2.689 92.863 1.00 10.98 ? 137 ARG H HD3 1 ATOM 2333 H HE . ARG A 1 137 ? 58.571 2.436 95.010 1.00 10.69 ? 137 ARG H HE 1 ATOM 2334 H HH11 . ARG A 1 137 ? 59.152 4.977 92.999 1.00 10.81 ? 137 ARG H HH11 1 ATOM 2335 H HH12 . ARG A 1 137 ? 57.915 5.743 93.317 1.00 10.81 ? 137 ARG H HH12 1 ATOM 2336 H HH21 . ARG A 1 137 ? 56.703 3.673 95.570 1.00 11.47 ? 137 ARG H HH21 1 ATOM 2337 H HH22 . ARG A 1 137 ? 56.443 4.958 94.863 1.00 11.47 ? 137 ARG H HH22 1 ATOM 2338 N N . VAL A 1 138 ? 63.025 -0.857 94.846 1.00 7.51 ? 138 VAL H N 1 ATOM 2339 C CA . VAL A 1 138 ? 63.913 -1.529 93.914 1.00 7.99 ? 138 VAL H CA 1 ATOM 2340 C C . VAL A 1 138 ? 63.157 -1.726 92.605 1.00 8.74 ? 138 VAL H C 1 ATOM 2341 O O . VAL A 1 138 ? 61.967 -2.049 92.592 1.00 9.51 ? 138 VAL H O 1 ATOM 2342 C CB . VAL A 1 138 ? 64.386 -2.882 94.483 1.00 9.92 ? 138 VAL H CB 1 ATOM 2343 C CG1 . VAL A 1 138 ? 65.379 -3.527 93.549 1.00 11.33 ? 138 VAL H CG1 1 ATOM 2344 C CG2 . VAL A 1 138 ? 64.969 -2.691 95.832 1.00 12.37 ? 138 VAL H CG2 1 ATOM 2345 H H . VAL A 1 138 ? 62.318 -1.312 95.026 1.00 9.01 ? 138 VAL H H 1 ATOM 2346 H HA . VAL A 1 138 ? 64.690 -0.974 93.744 1.00 9.59 ? 138 VAL H HA 1 ATOM 2347 H HB . VAL A 1 138 ? 63.622 -3.475 94.566 1.00 11.90 ? 138 VAL H HB 1 ATOM 2348 H HG11 . VAL A 1 138 ? 66.143 -2.938 93.446 1.00 13.60 ? 138 VAL H HG11 1 ATOM 2349 H HG12 . VAL A 1 138 ? 65.662 -4.374 93.926 1.00 13.60 ? 138 VAL H HG12 1 ATOM 2350 H HG13 . VAL A 1 138 ? 64.954 -3.672 92.689 1.00 13.60 ? 138 VAL H HG13 1 ATOM 2351 H HG21 . VAL A 1 138 ? 64.294 -2.314 96.417 1.00 14.84 ? 138 VAL H HG21 1 ATOM 2352 H HG22 . VAL A 1 138 ? 65.261 -3.551 96.174 1.00 14.84 ? 138 VAL H HG22 1 ATOM 2353 H HG23 . VAL A 1 138 ? 65.725 -2.087 95.766 1.00 14.84 ? 138 VAL H HG23 1 ATOM 2354 N N . THR A 1 139 ? 63.845 -1.478 91.497 1.00 8.78 ? 139 THR H N 1 ATOM 2355 C CA . THR A 1 139 ? 63.249 -1.530 90.175 1.00 8.84 ? 139 THR H CA 1 ATOM 2356 C C . THR A 1 139 ? 64.123 -2.328 89.218 1.00 9.20 ? 139 THR H C 1 ATOM 2357 O O . THR A 1 139 ? 65.353 -2.300 89.318 1.00 9.73 ? 139 THR H O 1 ATOM 2358 C CB . THR A 1 139 ? 63.069 -0.119 89.618 1.00 10.03 ? 139 THR H CB 1 ATOM 2359 O OG1 . THR A 1 139 ? 64.257 0.630 89.884 1.00 10.31 ? 139 THR H OG1 1 ATOM 2360 C CG2 . THR A 1 139 ? 61.868 0.590 90.254 1.00 11.05 ? 139 THR H CG2 1 ATOM 2361 H H . THR A 1 139 ? 64.680 -1.274 91.488 1.00 10.54 ? 139 THR H H 1 ATOM 2362 H HA . THR A 1 139 ? 62.379 -1.955 90.227 1.00 10.61 ? 139 THR H HA 1 ATOM 2363 H HB . THR A 1 139 ? 62.925 -0.166 88.660 1.00 12.04 ? 139 THR H HB 1 ATOM 2364 H HG1 . THR A 1 139 ? 64.917 0.262 89.515 1.00 12.38 ? 139 THR H HG1 1 ATOM 2365 H HG21 . THR A 1 139 ? 61.994 0.658 91.213 1.00 13.26 ? 139 THR H HG21 1 ATOM 2366 H HG22 . THR A 1 139 ? 61.776 1.481 89.884 1.00 13.26 ? 139 THR H HG22 1 ATOM 2367 H HG23 . THR A 1 139 ? 61.056 0.089 90.076 1.00 13.26 ? 139 THR H HG23 1 ATOM 2368 N N . GLY A 1 140 ? 63.486 -2.994 88.255 1.00 9.29 ? 140 GLY H N 1 ATOM 2369 C CA . GLY A 1 140 ? 64.252 -3.682 87.251 1.00 9.39 ? 140 GLY H CA 1 ATOM 2370 C C . GLY A 1 140 ? 63.423 -4.515 86.296 1.00 9.81 ? 140 GLY H C 1 ATOM 2371 O O . GLY A 1 140 ? 62.213 -4.688 86.474 1.00 10.61 ? 140 GLY H O 1 ATOM 2372 H H . GLY A 1 140 ? 62.633 -3.056 88.171 1.00 11.15 ? 140 GLY H H 1 ATOM 2373 H HA2 . GLY A 1 140 ? 64.748 -3.031 86.730 1.00 11.27 ? 140 GLY H HA2 1 ATOM 2374 H HA3 . GLY A 1 140 ? 64.889 -4.269 87.687 1.00 11.27 ? 140 GLY H HA3 1 ATOM 2375 N N . TRP A 1 141 ? 64.103 -5.071 85.299 1.00 10.31 ? 141 TRP H N 1 ATOM 2376 C CA . TRP A 1 141 ? 63.488 -5.913 84.269 1.00 11.19 ? 141 TRP H CA 1 ATOM 2377 C C . TRP A 1 141 ? 63.913 -7.363 84.441 1.00 12.31 ? 141 TRP H C 1 ATOM 2378 O O . TRP A 1 141 ? 63.740 -8.151 83.503 1.00 13.24 ? 141 TRP H O 1 ATOM 2379 C CB . TRP A 1 141 ? 63.884 -5.417 82.872 1.00 11.88 ? 141 TRP H CB 1 ATOM 2380 C CG . TRP A 1 141 ? 63.338 -4.092 82.470 1.00 11.51 ? 141 TRP H CG 1 ATOM 2381 C CD1 . TRP A 1 141 ? 62.102 -3.829 81.969 1.00 12.84 ? 141 TRP H CD1 1 ATOM 2382 C CD2 . TRP A 1 141 ? 64.039 -2.848 82.466 1.00 12.52 ? 141 TRP H CD2 1 ATOM 2383 N NE1 . TRP A 1 141 ? 61.979 -2.505 81.675 1.00 13.58 ? 141 TRP H NE1 1 ATOM 2384 C CE2 . TRP A 1 141 ? 63.158 -1.870 81.960 1.00 12.90 ? 141 TRP H CE2 1 ATOM 2385 C CE3 . TRP A 1 141 ? 65.323 -2.467 82.852 1.00 14.17 ? 141 TRP H CE3 1 ATOM 2386 C CZ2 . TRP A 1 141 ? 63.524 -0.543 81.829 1.00 14.58 ? 141 TRP H CZ2 1 ATOM 2387 C CZ3 . TRP A 1 141 ? 65.679 -1.159 82.710 1.00 15.95 ? 141 TRP H CZ3 1 ATOM 2388 C CH2 . TRP A 1 141 ? 64.785 -0.204 82.221 1.00 16.24 ? 141 TRP H CH2 1 ATOM 2389 H H . TRP A 1 141 ? 64.950 -4.974 85.192 1.00 12.37 ? 141 TRP H H 1 ATOM 2390 H HA . TRP A 1 141 ? 62.522 -5.865 84.349 1.00 13.43 ? 141 TRP H HA 1 ATOM 2391 H HB2 . TRP A 1 141 ? 64.851 -5.355 82.833 1.00 14.26 ? 141 TRP H HB2 1 ATOM 2392 H HB3 . TRP A 1 141 ? 63.576 -6.066 82.220 1.00 14.26 ? 141 TRP H HB3 1 ATOM 2393 H HD1 . TRP A 1 141 ? 61.433 -4.464 81.848 1.00 15.40 ? 141 TRP H HD1 1 ATOM 2394 H HE1 . TRP A 1 141 ? 61.276 -2.130 81.351 1.00 16.30 ? 141 TRP H HE1 1 ATOM 2395 H HE3 . TRP A 1 141 ? 65.929 -3.094 83.175 1.00 17.00 ? 141 TRP H HE3 1 ATOM 2396 H HZ2 . TRP A 1 141 ? 62.928 0.094 81.507 1.00 17.50 ? 141 TRP H HZ2 1 ATOM 2397 H HZ3 . TRP A 1 141 ? 66.532 -0.892 82.966 1.00 19.14 ? 141 TRP H HZ3 1 ATOM 2398 H HH2 . TRP A 1 141 ? 65.061 0.681 82.147 1.00 19.48 ? 141 TRP H HH2 1 ATOM 2399 N N . GLY A 1 142 ? 64.412 -7.737 85.614 1.00 11.90 ? 142 GLY H N 1 ATOM 2400 C CA . GLY A 1 142 ? 64.848 -9.100 85.843 1.00 12.97 ? 142 GLY H CA 1 ATOM 2401 C C . GLY A 1 142 ? 63.681 -10.057 86.008 1.00 14.04 ? 142 GLY H C 1 ATOM 2402 O O . GLY A 1 142 ? 62.496 -9.709 85.918 1.00 14.14 ? 142 GLY H O 1 ATOM 2403 H H . GLY A 1 142 ? 64.507 -7.217 86.293 1.00 14.28 ? 142 GLY H H 1 ATOM 2404 H HA2 . GLY A 1 142 ? 65.387 -9.397 85.093 1.00 15.57 ? 142 GLY H HA2 1 ATOM 2405 H HA3 . GLY A 1 142 ? 65.391 -9.135 86.646 1.00 15.57 ? 142 GLY H HA3 1 ATOM 2406 N N . ASN A 1 143 ? 64.034 -11.299 86.278 1.00 14.25 ? 143 ASN H N 1 ATOM 2407 C CA . ASN A 1 143 ? 63.047 -12.356 86.325 1.00 15.78 ? 143 ASN H CA 1 ATOM 2408 C C . ASN A 1 143 ? 62.007 -12.170 87.414 1.00 14.90 ? 143 ASN H C 1 ATOM 2409 O O . ASN A 1 143 ? 62.275 -11.586 88.472 1.00 14.11 ? 143 ASN H O 1 ATOM 2410 C CB . ASN A 1 143 ? 63.753 -13.712 86.455 1.00 19.55 ? 143 ASN H CB 1 ATOM 2411 C CG . ASN A 1 143 ? 64.696 -13.994 85.277 1.00 23.50 ? 143 ASN H CG 1 ATOM 2412 O OD1 . ASN A 1 143 ? 64.604 -13.360 84.222 1.00 26.51 ? 143 ASN H OD1 1 ATOM 2413 N ND2 . ASN A 1 143 ? 65.602 -14.930 85.460 1.00 27.61 ? 143 ASN H ND2 1 ATOM 2414 H H . ASN A 1 143 ? 64.839 -11.556 86.438 1.00 17.10 ? 143 ASN H H 1 ATOM 2415 H HA . ASN A 1 143 ? 62.573 -12.362 85.479 1.00 18.94 ? 143 ASN H HA 1 ATOM 2416 H HB2 . ASN A 1 143 ? 64.278 -13.720 87.270 1.00 23.46 ? 143 ASN H HB2 1 ATOM 2417 H HB3 . ASN A 1 143 ? 63.085 -14.415 86.481 1.00 23.46 ? 143 ASN H HB3 1 ATOM 2418 H HD21 . ASN A 1 143 ? 65.642 -15.348 86.211 1.00 33.13 ? 143 ASN H HD21 1 ATOM 2419 H HD22 . ASN A 1 143 ? 66.153 -15.124 84.829 1.00 33.13 ? 143 ASN H HD22 1 ATOM 2420 N N . LEU A 1 144 ? 60.818 -12.685 87.145 1.00 15.90 ? 144 LEU H N 1 ATOM 2421 C CA . LEU A 1 144 ? 59.681 -12.579 88.041 1.00 16.96 ? 144 LEU H CA 1 ATOM 2422 C C . LEU A 1 144 ? 59.664 -13.663 89.110 1.00 17.91 ? 144 LEU H C 1 ATOM 2423 O O . LEU A 1 144 ? 58.898 -13.562 90.060 1.00 19.44 ? 144 LEU H O 1 ATOM 2424 C CB . LEU A 1 144 ? 58.377 -12.652 87.241 1.00 17.50 ? 144 LEU H CB 1 ATOM 2425 C CG . LEU A 1 144 ? 58.196 -11.531 86.232 1.00 18.34 ? 144 LEU H CG 1 ATOM 2426 C CD1 . LEU A 1 144 ? 56.997 -11.822 85.337 1.00 20.06 ? 144 LEU H CD1 1 ATOM 2427 C CD2 . LEU A 1 144 ? 58.048 -10.197 86.941 1.00 18.54 ? 144 LEU H CD2 1 ATOM 2428 H H . LEU A 1 144 ? 60.640 -13.117 86.423 1.00 19.08 ? 144 LEU H H 1 ATOM 2429 H HA . LEU A 1 144 ? 59.712 -11.718 88.488 1.00 20.35 ? 144 LEU H HA 1 ATOM 2430 H HB2 . LEU A 1 144 ? 58.357 -13.492 86.756 1.00 21.00 ? 144 LEU H HB2 1 ATOM 2431 H HB3 . LEU A 1 144 ? 57.631 -12.614 87.860 1.00 21.00 ? 144 LEU H HB3 1 ATOM 2432 H HG . LEU A 1 144 ? 58.985 -11.485 85.669 1.00 22.01 ? 144 LEU H HG 1 ATOM 2433 H HD11 . LEU A 1 144 ? 56.202 -11.892 85.888 1.00 24.08 ? 144 LEU H HD11 1 ATOM 2434 H HD12 . LEU A 1 144 ? 56.896 -11.098 84.699 1.00 24.08 ? 144 LEU H HD12 1 ATOM 2435 H HD13 . LEU A 1 144 ? 57.148 -12.658 84.868 1.00 24.08 ? 144 LEU H HD13 1 ATOM 2436 H HD21 . LEU A 1 144 ? 58.846 -10.028 87.466 1.00 22.25 ? 144 LEU H HD21 1 ATOM 2437 H HD22 . LEU A 1 144 ? 57.934 -9.499 86.277 1.00 22.25 ? 144 LEU H HD22 1 ATOM 2438 H HD23 . LEU A 1 144 ? 57.271 -10.233 87.521 1.00 22.25 ? 144 LEU H HD23 1 ATOM 2439 N N . LYS A 1 145 ? 60.491 -14.701 88.948 1.00 19.14 ? 145 LYS H N 1 ATOM 2440 C CA . LYS A 1 145 ? 60.549 -15.831 89.870 1.00 21.30 ? 145 LYS H CA 1 ATOM 2441 C C . LYS A 1 145 ? 61.947 -16.412 89.811 1.00 19.54 ? 145 LYS H C 1 ATOM 2442 O O . LYS A 1 145 ? 62.647 -16.268 88.795 1.00 20.11 ? 145 LYS H O 1 ATOM 2443 C CB . LYS A 1 145 ? 59.565 -16.952 89.481 1.00 25.53 ? 145 LYS H CB 1 ATOM 2444 C CG . LYS A 1 145 ? 58.099 -16.566 89.418 1.00 28.55 ? 145 LYS H CG 1 ATOM 2445 C CD . LYS A 1 145 ? 57.206 -17.773 89.194 1.00 29.46 ? 145 LYS H CD 1 ATOM 2446 H H . LYS A 1 145 ? 61.042 -14.770 88.292 1.00 22.97 ? 145 LYS H H 1 ATOM 2447 H HA . LYS A 1 145 ? 60.361 -15.538 90.776 1.00 25.56 ? 145 LYS H HA 1 ATOM 2448 H HB2 . LYS A 1 145 ? 59.813 -17.283 88.604 1.00 30.63 ? 145 LYS H HB2 1 ATOM 2449 H HB3 . LYS A 1 145 ? 59.647 -17.667 90.130 1.00 30.63 ? 145 LYS H HB3 1 ATOM 2450 H HG2 . LYS A 1 145 ? 57.843 -16.151 90.257 1.00 34.27 ? 145 LYS H HG2 1 ATOM 2451 H HG3 . LYS A 1 145 ? 57.963 -15.948 88.683 1.00 34.27 ? 145 LYS H HG3 1 ATOM 2452 N N . GLU A 1 146 ? 62.353 -17.060 90.896 1.00 19.31 ? 146 GLU H N 1 ATOM 2453 C CA . GLU A 1 146 ? 63.654 -17.709 90.947 1.00 20.57 ? 146 GLU H CA 1 ATOM 2454 C C . GLU A 1 146 ? 63.778 -18.784 89.866 1.00 24.92 ? 146 GLU H C 1 ATOM 2455 O O . GLU A 1 146 ? 64.823 -18.915 89.221 1.00 27.53 ? 146 GLU H O 1 ATOM 2456 C CB . GLU A 1 146 ? 63.907 -18.322 92.323 1.00 19.70 ? 146 GLU H CB 1 ATOM 2457 C CG . GLU A 1 146 ? 65.251 -18.998 92.415 1.00 20.34 ? 146 GLU H CG 1 ATOM 2458 C CD . GLU A 1 146 ? 65.542 -19.587 93.786 1.00 20.34 ? 146 GLU H CD 1 ATOM 2459 O OE1 . GLU A 1 146 ? 65.055 -19.067 94.830 1.00 18.29 ? 146 GLU H OE1 1 ATOM 2460 O OE2 . GLU A 1 146 ? 66.275 -20.608 93.811 1.00 24.04 ? 146 GLU H OE2 1 ATOM 2461 H H . GLU A 1 146 ? 61.892 -17.139 91.618 1.00 23.18 ? 146 GLU H H 1 ATOM 2462 H HA . GLU A 1 146 ? 64.342 -17.045 90.786 1.00 24.68 ? 146 GLU H HA 1 ATOM 2463 H HB2 . GLU A 1 146 ? 63.877 -17.621 92.992 1.00 23.65 ? 146 GLU H HB2 1 ATOM 2464 H HB3 . GLU A 1 146 ? 63.223 -18.986 92.505 1.00 23.65 ? 146 GLU H HB3 1 ATOM 2465 H HG2 . GLU A 1 146 ? 65.284 -19.720 91.769 1.00 24.40 ? 146 GLU H HG2 1 ATOM 2466 H HG3 . GLU A 1 146 ? 65.943 -18.348 92.218 1.00 24.40 ? 146 GLU H HG3 1 ATOM 2467 N N . THR A 1 147 ? 62.713 -19.551 89.666 1.00 26.55 ? 147 THR H N 1 ATOM 2468 C CA . THR A 1 147 ? 62.745 -20.657 88.709 1.00 31.06 ? 147 THR H CA 1 ATOM 2469 C C . THR A 1 147 ? 61.526 -20.620 87.794 1.00 35.33 ? 147 THR H C 1 ATOM 2470 O O . THR A 1 147 ? 60.416 -20.313 88.232 1.00 36.97 ? 147 THR H O 1 ATOM 2471 C CB . THR A 1 147 ? 62.792 -22.021 89.424 1.00 31.58 ? 147 THR H CB 1 ATOM 2472 H H . THR A 1 147 ? 61.959 -19.453 90.069 1.00 31.85 ? 147 THR H H 1 ATOM 2473 H HA . THR A 1 147 ? 63.540 -20.577 88.158 1.00 37.27 ? 147 THR H HA 1 ATOM 2474 N N . GLY A 1 155 ? 57.665 -15.723 83.579 1.00 30.94 ? 150 GLY H N 1 ATOM 2475 C CA . GLY A 1 155 ? 59.080 -15.688 83.895 1.00 28.21 ? 150 GLY H CA 1 ATOM 2476 C C . GLY A 1 155 ? 59.717 -14.319 83.793 1.00 25.80 ? 150 GLY H C 1 ATOM 2477 O O . GLY A 1 155 ? 60.458 -13.920 84.681 1.00 24.64 ? 150 GLY H O 1 ATOM 2478 H HA2 . GLY A 1 155 ? 59.210 -16.011 84.800 1.00 33.85 ? 150 GLY H HA2 1 ATOM 2479 H HA3 . GLY A 1 155 ? 59.553 -16.283 83.293 1.00 33.85 ? 150 GLY H HA3 1 ATOM 2480 N N . GLN A 1 156 ? 59.438 -13.610 82.710 1.00 25.13 ? 151 GLN H N 1 ATOM 2481 C CA . GLN A 1 156 ? 60.044 -12.306 82.463 1.00 24.89 ? 151 GLN H CA 1 ATOM 2482 C C . GLN A 1 156 ? 58.982 -11.239 82.204 1.00 22.98 ? 151 GLN H C 1 ATOM 2483 O O . GLN A 1 156 ? 57.934 -11.526 81.620 1.00 23.71 ? 151 GLN H O 1 ATOM 2484 C CB . GLN A 1 156 ? 61.029 -12.425 81.309 1.00 27.84 ? 151 GLN H CB 1 ATOM 2485 C CG . GLN A 1 156 ? 62.092 -13.474 81.620 1.00 30.67 ? 151 GLN H CG 1 ATOM 2486 C CD . GLN A 1 156 ? 63.114 -13.668 80.530 1.00 32.63 ? 151 GLN H CD 1 ATOM 2487 O OE1 . GLN A 1 156 ? 62.769 -13.844 79.363 1.00 33.54 ? 151 GLN H OE1 1 ATOM 2488 N NE2 . GLN A 1 156 ? 64.388 -13.665 80.909 1.00 33.73 ? 151 GLN H NE2 1 ATOM 2489 H H . GLN A 1 156 ? 58.894 -13.864 82.094 1.00 30.15 ? 151 GLN H H 1 ATOM 2490 H HA . GLN A 1 156 ? 60.543 -12.040 83.251 1.00 29.87 ? 151 GLN H HA 1 ATOM 2491 H HB2 . GLN A 1 156 ? 60.556 -12.696 80.507 1.00 33.41 ? 151 GLN H HB2 1 ATOM 2492 H HB3 . GLN A 1 156 ? 61.470 -11.573 81.171 1.00 33.41 ? 151 GLN H HB3 1 ATOM 2493 H HG2 . GLN A 1 156 ? 62.566 -13.208 82.424 1.00 36.80 ? 151 GLN H HG2 1 ATOM 2494 H HG3 . GLN A 1 156 ? 61.654 -14.327 81.767 1.00 36.80 ? 151 GLN H HG3 1 ATOM 2495 H HE21 . GLN A 1 156 ? 64.590 -13.557 81.738 1.00 40.47 ? 151 GLN H HE21 1 ATOM 2496 H HE22 . GLN A 1 156 ? 65.011 -13.772 80.325 1.00 40.47 ? 151 GLN H HE22 1 ATOM 2497 N N . PRO A 1 157 ? 59.226 -10.008 82.665 1.00 19.79 ? 152 PRO H N 1 ATOM 2498 C CA . PRO A 1 157 ? 58.174 -8.993 82.601 1.00 18.37 ? 152 PRO H CA 1 ATOM 2499 C C . PRO A 1 157 ? 58.054 -8.283 81.249 1.00 18.22 ? 152 PRO H C 1 ATOM 2500 O O . PRO A 1 157 ? 59.037 -8.098 80.535 1.00 18.82 ? 152 PRO H O 1 ATOM 2501 C CB . PRO A 1 157 ? 58.628 -7.994 83.661 1.00 17.82 ? 152 PRO H CB 1 ATOM 2502 C CG . PRO A 1 157 ? 60.113 -8.078 83.593 1.00 17.83 ? 152 PRO H CG 1 ATOM 2503 C CD . PRO A 1 157 ? 60.399 -9.529 83.423 1.00 19.33 ? 152 PRO H CD 1 ATOM 2504 H HA . PRO A 1 157 ? 57.317 -9.369 82.853 1.00 22.04 ? 152 PRO H HA 1 ATOM 2505 H HB2 . PRO A 1 157 ? 58.319 -7.103 83.432 1.00 21.38 ? 152 PRO H HB2 1 ATOM 2506 H HB3 . PRO A 1 157 ? 58.303 -8.264 84.534 1.00 21.38 ? 152 PRO H HB3 1 ATOM 2507 H HG2 . PRO A 1 157 ? 60.436 -7.572 82.831 1.00 21.40 ? 152 PRO H HG2 1 ATOM 2508 H HG3 . PRO A 1 157 ? 60.499 -7.745 84.418 1.00 21.40 ? 152 PRO H HG3 1 ATOM 2509 H HD2 . PRO A 1 157 ? 61.212 -9.657 82.909 1.00 23.20 ? 152 PRO H HD2 1 ATOM 2510 H HD3 . PRO A 1 157 ? 60.449 -9.969 84.287 1.00 23.20 ? 152 PRO H HD3 1 ATOM 2511 N N . SER A 1 158 ? 56.848 -7.837 80.924 1.00 17.20 ? 153 SER H N 1 ATOM 2512 C CA . SER A 1 158 ? 56.653 -6.951 79.780 1.00 16.58 ? 153 SER H CA 1 ATOM 2513 C C . SER A 1 158 ? 57.228 -5.561 80.010 1.00 14.57 ? 153 SER H C 1 ATOM 2514 O O . SER A 1 158 ? 57.806 -4.992 79.080 1.00 14.92 ? 153 SER H O 1 ATOM 2515 C CB . SER A 1 158 ? 55.174 -6.806 79.435 1.00 18.36 ? 153 SER H CB 1 ATOM 2516 O OG . SER A 1 158 ? 55.013 -5.880 78.356 1.00 21.06 ? 153 SER H OG 1 ATOM 2517 H H . SER A 1 158 ? 56.125 -8.031 81.348 1.00 20.64 ? 153 SER H H 1 ATOM 2518 H HA . SER A 1 158 ? 57.102 -7.333 79.010 1.00 19.90 ? 153 SER H HA 1 ATOM 2519 H HB2 . SER A 1 158 ? 54.824 -7.670 79.168 1.00 22.03 ? 153 SER H HB2 1 ATOM 2520 H HB3 . SER A 1 158 ? 54.696 -6.476 80.212 1.00 22.03 ? 153 SER H HB3 1 ATOM 2521 H HG . SER A 1 158 ? 54.199 -5.800 78.165 1.00 25.27 ? 153 SER H HG 1 ATOM 2522 N N . VAL A 1 159 ? 57.083 -5.021 81.231 1.00 13.67 ? 154 VAL H N 1 ATOM 2523 C CA . VAL A 1 159 ? 57.537 -3.658 81.535 1.00 13.22 ? 154 VAL H CA 1 ATOM 2524 C C . VAL A 1 159 ? 58.282 -3.655 82.866 1.00 12.42 ? 154 VAL H C 1 ATOM 2525 O O . VAL A 1 159 ? 58.239 -4.620 83.635 1.00 12.47 ? 154 VAL H O 1 ATOM 2526 C CB . VAL A 1 159 ? 56.383 -2.631 81.544 1.00 14.49 ? 154 VAL H CB 1 ATOM 2527 C CG1 . VAL A 1 159 ? 55.575 -2.684 80.225 1.00 15.44 ? 154 VAL H CG1 1 ATOM 2528 C CG2 . VAL A 1 159 ? 55.471 -2.828 82.713 1.00 16.12 ? 154 VAL H CG2 1 ATOM 2529 H H . VAL A 1 159 ? 56.725 -5.427 81.899 1.00 16.40 ? 154 VAL H H 1 ATOM 2530 H HA . VAL A 1 159 ? 58.165 -3.383 80.848 1.00 15.86 ? 154 VAL H HA 1 ATOM 2531 H HB . VAL A 1 159 ? 56.763 -1.742 81.617 1.00 17.39 ? 154 VAL H HB 1 ATOM 2532 H HG11 . VAL A 1 159 ? 55.203 -3.573 80.118 1.00 18.53 ? 154 VAL H HG11 1 ATOM 2533 H HG12 . VAL A 1 159 ? 54.861 -2.028 80.266 1.00 18.53 ? 154 VAL H HG12 1 ATOM 2534 H HG13 . VAL A 1 159 ? 56.168 -2.482 79.484 1.00 18.53 ? 154 VAL H HG13 1 ATOM 2535 H HG21 . VAL A 1 159 ? 55.982 -2.724 83.532 1.00 19.34 ? 154 VAL H HG21 1 ATOM 2536 H HG22 . VAL A 1 159 ? 54.765 -2.164 82.678 1.00 19.34 ? 154 VAL H HG22 1 ATOM 2537 H HG23 . VAL A 1 159 ? 55.091 -3.719 82.671 1.00 19.34 ? 154 VAL H HG23 1 ATOM 2538 N N . LEU A 1 160 ? 58.973 -2.550 83.103 1.00 11.51 ? 155 LEU H N 1 ATOM 2539 C CA . LEU A 1 160 ? 59.726 -2.339 84.326 1.00 10.88 ? 155 LEU H CA 1 ATOM 2540 C C . LEU A 1 160 ? 58.889 -2.665 85.550 1.00 10.87 ? 155 LEU H C 1 ATOM 2541 O O . LEU A 1 160 ? 57.731 -2.245 85.653 1.00 11.24 ? 155 LEU H O 1 ATOM 2542 C CB . LEU A 1 160 ? 60.143 -0.865 84.369 1.00 10.14 ? 155 LEU H CB 1 ATOM 2543 C CG . LEU A 1 160 ? 61.066 -0.470 85.525 1.00 10.25 ? 155 LEU H CG 1 ATOM 2544 C CD1 . LEU A 1 160 ? 62.417 -1.154 85.416 1.00 10.26 ? 155 LEU H CD1 1 ATOM 2545 C CD2 . LEU A 1 160 ? 61.240 1.051 85.557 1.00 10.54 ? 155 LEU H CD2 1 ATOM 2546 H H . LEU A 1 160 ? 59.022 -1.890 82.554 1.00 13.81 ? 155 LEU H H 1 ATOM 2547 H HA . LEU A 1 160 ? 60.522 -2.894 84.328 1.00 13.05 ? 155 LEU H HA 1 ATOM 2548 H HB2 . LEU A 1 160 ? 60.605 -0.654 83.543 1.00 12.16 ? 155 LEU H HB2 1 ATOM 2549 H HB3 . LEU A 1 160 ? 59.342 -0.323 84.440 1.00 12.16 ? 155 LEU H HB3 1 ATOM 2550 H HG . LEU A 1 160 ? 60.659 -0.743 86.362 1.00 12.30 ? 155 LEU H HG 1 ATOM 2551 H HD11 . LEU A 1 160 ? 62.835 -0.895 84.580 1.00 12.31 ? 155 LEU H HD11 1 ATOM 2552 H HD12 . LEU A 1 160 ? 62.971 -0.879 86.163 1.00 12.31 ? 155 LEU H HD12 1 ATOM 2553 H HD13 . LEU A 1 160 ? 62.286 -2.115 85.437 1.00 12.31 ? 155 LEU H HD13 1 ATOM 2554 H HD21 . LEU A 1 160 ? 60.371 1.465 85.680 1.00 12.65 ? 155 LEU H HD21 1 ATOM 2555 H HD22 . LEU A 1 160 ? 61.826 1.285 86.293 1.00 12.65 ? 155 LEU H HD22 1 ATOM 2556 H HD23 . LEU A 1 160 ? 61.629 1.341 84.717 1.00 12.65 ? 155 LEU H HD23 1 ATOM 2557 N N . GLN A 1 161 ? 59.482 -3.405 86.486 1.00 10.29 ? 156 GLN H N 1 ATOM 2558 C CA . GLN A 1 161 ? 58.832 -3.795 87.728 1.00 10.52 ? 156 GLN H CA 1 ATOM 2559 C C . GLN A 1 161 ? 59.394 -2.999 88.895 1.00 9.88 ? 156 GLN H C 1 ATOM 2560 O O . GLN A 1 161 ? 60.551 -2.590 88.884 1.00 10.18 ? 156 GLN H O 1 ATOM 2561 C CB . GLN A 1 161 ? 59.039 -5.291 87.993 1.00 11.07 ? 156 GLN H CB 1 ATOM 2562 C CG . GLN A 1 161 ? 58.448 -6.195 86.920 1.00 12.06 ? 156 GLN H CG 1 ATOM 2563 C CD . GLN A 1 161 ? 56.952 -6.130 86.917 1.00 12.58 ? 156 GLN H CD 1 ATOM 2564 O OE1 . GLN A 1 161 ? 56.290 -6.602 87.849 1.00 13.75 ? 156 GLN H OE1 1 ATOM 2565 N NE2 . GLN A 1 161 ? 56.391 -5.546 85.864 1.00 13.42 ? 156 GLN H NE2 1 ATOM 2566 H H . GLN A 1 161 ? 60.286 -3.701 86.418 1.00 12.35 ? 156 GLN H H 1 ATOM 2567 H HA . GLN A 1 161 ? 57.879 -3.620 87.665 1.00 12.62 ? 156 GLN H HA 1 ATOM 2568 H HB2 . GLN A 1 161 ? 59.991 -5.471 88.040 1.00 13.29 ? 156 GLN H HB2 1 ATOM 2569 H HB3 . GLN A 1 161 ? 58.619 -5.520 88.836 1.00 13.29 ? 156 GLN H HB3 1 ATOM 2570 H HG2 . GLN A 1 161 ? 58.767 -5.911 86.049 1.00 14.48 ? 156 GLN H HG2 1 ATOM 2571 H HG3 . GLN A 1 161 ? 58.713 -7.113 87.092 1.00 14.48 ? 156 GLN H HG3 1 ATOM 2572 H HE21 . GLN A 1 161 ? 56.884 -5.231 85.234 1.00 16.11 ? 156 GLN H HE21 1 ATOM 2573 H HE22 . GLN A 1 161 ? 55.535 -5.482 85.813 1.00 16.11 ? 156 GLN H HE22 1 ATOM 2574 N N . VAL A 1 162 ? 58.562 -2.862 89.921 1.00 10.08 ? 157 VAL H N 1 ATOM 2575 C CA A VAL A 1 162 ? 58.885 -2.086 91.115 0.56 9.61 ? 157 VAL H CA 1 ATOM 2576 C CA B VAL A 1 162 ? 58.847 -2.063 91.109 0.44 9.93 ? 157 VAL H CA 1 ATOM 2577 C C . VAL A 1 162 ? 58.409 -2.827 92.353 1.00 10.16 ? 157 VAL H C 1 ATOM 2578 O O . VAL A 1 162 ? 57.335 -3.425 92.348 1.00 11.56 ? 157 VAL H O 1 ATOM 2579 C CB A VAL A 1 162 ? 58.252 -0.657 91.046 0.56 10.57 ? 157 VAL H CB 1 ATOM 2580 C CB B VAL A 1 162 ? 58.034 -0.745 91.063 0.44 10.83 ? 157 VAL H CB 1 ATOM 2581 C CG1 A VAL A 1 162 ? 56.723 -0.711 90.862 0.56 11.32 ? 157 VAL H CG1 1 ATOM 2582 C CG1 B VAL A 1 162 ? 58.480 0.215 92.143 0.44 10.85 ? 157 VAL H CG1 1 ATOM 2583 C CG2 A VAL A 1 162 ? 58.583 0.142 92.284 0.56 11.84 ? 157 VAL H CG2 1 ATOM 2584 C CG2 B VAL A 1 162 ? 58.110 -0.087 89.685 0.44 11.92 ? 157 VAL H CG2 1 ATOM 2585 H H A VAL A 1 162 ? 57.781 -3.219 89.950 0.56 12.10 ? 157 VAL H H 1 ATOM 2586 H H B VAL A 1 162 ? 57.790 -3.240 89.952 0.44 12.10 ? 157 VAL H H 1 ATOM 2587 H HA A VAL A 1 162 ? 59.848 -1.986 91.176 0.56 11.53 ? 157 VAL H HA 1 ATOM 2588 H HA B VAL A 1 162 ? 59.794 -1.860 91.167 0.44 11.91 ? 157 VAL H HA 1 ATOM 2589 H HB A VAL A 1 162 ? 58.625 -0.188 90.284 0.56 12.69 ? 157 VAL H HB 1 ATOM 2590 H HB B VAL A 1 162 ? 57.103 -0.955 91.231 0.44 12.99 ? 157 VAL H HB 1 ATOM 2591 H HG11 A VAL A 1 162 ? 56.331 -1.184 91.612 0.56 13.58 ? 157 VAL H HG11 1 ATOM 2592 H HG11 B VAL A 1 162 ? 59.419 0.422 92.013 0.44 13.02 ? 157 VAL H HG11 1 ATOM 2593 H HG12 A VAL A 1 162 ? 56.378 0.195 90.825 0.56 13.58 ? 157 VAL H HG12 1 ATOM 2594 H HG12 B VAL A 1 162 ? 57.951 1.026 92.083 0.44 13.02 ? 157 VAL H HG12 1 ATOM 2595 H HG13 A VAL A 1 162 ? 56.522 -1.176 90.034 0.56 13.58 ? 157 VAL H HG13 1 ATOM 2596 H HG13 B VAL A 1 162 ? 58.350 -0.202 93.009 0.44 13.02 ? 157 VAL H HG13 1 ATOM 2597 H HG21 A VAL A 1 162 ? 59.547 0.228 92.355 0.56 14.20 ? 157 VAL H HG21 1 ATOM 2598 H HG21 B VAL A 1 162 ? 57.750 -0.698 89.024 0.44 14.31 ? 157 VAL H HG21 1 ATOM 2599 H HG22 A VAL A 1 162 ? 58.177 1.020 92.210 0.56 14.20 ? 157 VAL H HG22 1 ATOM 2600 H HG22 B VAL A 1 162 ? 57.591 0.732 89.698 0.44 14.31 ? 157 VAL H HG22 1 ATOM 2601 H HG23 A VAL A 1 162 ? 58.233 -0.321 93.061 0.56 14.20 ? 157 VAL H HG23 1 ATOM 2602 H HG23 B VAL A 1 162 ? 59.038 0.112 89.482 0.44 14.31 ? 157 VAL H HG23 1 ATOM 2603 N N . VAL A 1 163 ? 59.218 -2.793 93.401 1.00 9.79 ? 158 VAL H N 1 ATOM 2604 C CA . VAL A 1 163 ? 58.809 -3.324 94.682 1.00 10.33 ? 158 VAL H CA 1 ATOM 2605 C C . VAL A 1 163 ? 59.416 -2.473 95.797 1.00 9.10 ? 158 VAL H C 1 ATOM 2606 O O . VAL A 1 163 ? 60.561 -2.031 95.701 1.00 9.60 ? 158 VAL H O 1 ATOM 2607 C CB . VAL A 1 163 ? 59.164 -4.835 94.835 1.00 12.73 ? 158 VAL H CB 1 ATOM 2608 C CG1 . VAL A 1 163 ? 60.662 -5.049 94.931 1.00 13.32 ? 158 VAL H CG1 1 ATOM 2609 C CG2 . VAL A 1 163 ? 58.428 -5.442 96.030 1.00 15.21 ? 158 VAL H CG2 1 ATOM 2610 H H . VAL A 1 163 ? 60.014 -2.466 93.392 1.00 11.75 ? 158 VAL H H 1 ATOM 2611 H HA . VAL A 1 163 ? 57.845 -3.245 94.751 1.00 12.39 ? 158 VAL H HA 1 ATOM 2612 H HB . VAL A 1 163 ? 58.858 -5.300 94.041 1.00 15.27 ? 158 VAL H HB 1 ATOM 2613 H HG11 . VAL A 1 163 ? 61.000 -4.571 95.704 1.00 15.98 ? 158 VAL H HG11 1 ATOM 2614 H HG12 . VAL A 1 163 ? 60.840 -5.998 95.024 1.00 15.98 ? 158 VAL H HG12 1 ATOM 2615 H HG13 . VAL A 1 163 ? 61.081 -4.711 94.124 1.00 15.98 ? 158 VAL H HG13 1 ATOM 2616 H HG21 . VAL A 1 163 ? 57.472 -5.352 95.890 1.00 18.25 ? 158 VAL H HG21 1 ATOM 2617 H HG22 . VAL A 1 163 ? 58.665 -6.380 96.103 1.00 18.25 ? 158 VAL H HG22 1 ATOM 2618 H HG23 . VAL A 1 163 ? 58.691 -4.970 96.835 1.00 18.25 ? 158 VAL H HG23 1 ATOM 2619 N N . ASN A 1 164 ? 58.639 -2.221 96.847 1.00 9.31 ? 159 ASN H N 1 ATOM 2620 C CA . ASN A 1 164 ? 59.107 -1.497 98.018 1.00 9.05 ? 159 ASN H CA 1 ATOM 2621 C C . ASN A 1 164 ? 59.436 -2.520 99.110 1.00 9.39 ? 159 ASN H C 1 ATOM 2622 O O . ASN A 1 164 ? 58.640 -3.430 99.359 1.00 10.59 ? 159 ASN H O 1 ATOM 2623 C CB . ASN A 1 164 ? 58.036 -0.537 98.536 1.00 10.63 ? 159 ASN H CB 1 ATOM 2624 C CG . ASN A 1 164 ? 57.632 0.511 97.522 1.00 11.50 ? 159 ASN H CG 1 ATOM 2625 O OD1 . ASN A 1 164 ? 58.423 0.953 96.680 1.00 11.09 ? 159 ASN H OD1 1 ATOM 2626 N ND2 . ASN A 1 164 ? 56.388 0.966 97.646 1.00 14.76 ? 159 ASN H ND2 1 ATOM 2627 H H . ASN A 1 164 ? 57.817 -2.467 96.902 1.00 11.18 ? 159 ASN H H 1 ATOM 2628 H HA . ASN A 1 164 ? 59.908 -0.993 97.802 1.00 10.86 ? 159 ASN H HA 1 ATOM 2629 H HB2 . ASN A 1 164 ? 57.245 -1.046 98.771 1.00 12.75 ? 159 ASN H HB2 1 ATOM 2630 H HB3 . ASN A 1 164 ? 58.378 -0.078 99.320 1.00 12.75 ? 159 ASN H HB3 1 ATOM 2631 H HD21 . ASN A 1 164 ? 55.879 0.663 98.270 1.00 17.72 ? 159 ASN H HD21 1 ATOM 2632 H HD22 . ASN A 1 164 ? 56.092 1.563 97.103 1.00 17.72 ? 159 ASN H HD22 1 ATOM 2633 N N . LEU A 1 165 ? 60.593 -2.366 99.760 1.00 8.59 ? 160 LEU H N 1 ATOM 2634 C CA . LEU A 1 165 ? 61.087 -3.366 100.710 1.00 8.91 ? 160 LEU H CA 1 ATOM 2635 C C . LEU A 1 165 ? 61.743 -2.671 101.900 1.00 9.05 ? 160 LEU H C 1 ATOM 2636 O O . LEU A 1 165 ? 62.457 -1.682 101.726 1.00 8.93 ? 160 LEU H O 1 ATOM 2637 C CB . LEU A 1 165 ? 62.129 -4.276 100.045 1.00 9.95 ? 160 LEU H CB 1 ATOM 2638 C CG . LEU A 1 165 ? 61.638 -5.119 98.870 1.00 11.61 ? 160 LEU H CG 1 ATOM 2639 C CD1 . LEU A 1 165 ? 62.802 -5.791 98.171 1.00 13.47 ? 160 LEU H CD1 1 ATOM 2640 C CD2 . LEU A 1 165 ? 60.628 -6.155 99.289 1.00 12.72 ? 160 LEU H CD2 1 ATOM 2641 H H . LEU A 1 165 ? 61.113 -1.687 99.668 1.00 10.31 ? 160 LEU H H 1 ATOM 2642 H HA . LEU A 1 165 ? 60.351 -3.911 101.030 1.00 10.69 ? 160 LEU H HA 1 ATOM 2643 H HB2 . LEU A 1 165 ? 62.854 -3.720 99.717 1.00 11.94 ? 160 LEU H HB2 1 ATOM 2644 H HB3 . LEU A 1 165 ? 62.471 -4.887 100.716 1.00 11.94 ? 160 LEU H HB3 1 ATOM 2645 H HG . LEU A 1 165 ? 61.208 -4.534 98.227 1.00 13.93 ? 160 LEU H HG 1 ATOM 2646 H HD11 . LEU A 1 165 ? 63.261 -6.365 98.804 1.00 16.16 ? 160 LEU H HD11 1 ATOM 2647 H HD12 . LEU A 1 165 ? 62.463 -6.319 97.431 1.00 16.16 ? 160 LEU H HD12 1 ATOM 2648 H HD13 . LEU A 1 165 ? 63.408 -5.109 97.841 1.00 16.16 ? 160 LEU H HD13 1 ATOM 2649 H HD21 . LEU A 1 165 ? 59.863 -5.708 99.683 1.00 15.27 ? 160 LEU H HD21 1 ATOM 2650 H HD22 . LEU A 1 165 ? 60.352 -6.660 98.508 1.00 15.27 ? 160 LEU H HD22 1 ATOM 2651 H HD23 . LEU A 1 165 ? 61.036 -6.748 99.939 1.00 15.27 ? 160 LEU H HD23 1 ATOM 2652 N N . PRO A 1 166 ? 61.537 -3.207 103.105 1.00 9.28 ? 161 PRO H N 1 ATOM 2653 C CA . PRO A 1 166 ? 62.151 -2.629 104.304 1.00 9.31 ? 161 PRO H CA 1 ATOM 2654 C C . PRO A 1 166 ? 63.611 -3.035 104.501 1.00 9.05 ? 161 PRO H C 1 ATOM 2655 O O . PRO A 1 166 ? 63.979 -4.194 104.283 1.00 9.57 ? 161 PRO H O 1 ATOM 2656 C CB . PRO A 1 166 ? 61.296 -3.193 105.444 1.00 10.02 ? 161 PRO H CB 1 ATOM 2657 C CG . PRO A 1 166 ? 60.849 -4.526 104.941 1.00 10.57 ? 161 PRO H CG 1 ATOM 2658 C CD . PRO A 1 166 ? 60.641 -4.333 103.450 1.00 10.59 ? 161 PRO H CD 1 ATOM 2659 H HA . PRO A 1 166 ? 62.080 -1.661 104.291 1.00 11.18 ? 161 PRO H HA 1 ATOM 2660 H HB2 . PRO A 1 166 ? 61.835 -3.288 106.245 1.00 12.02 ? 161 PRO H HB2 1 ATOM 2661 H HB3 . PRO A 1 166 ? 60.536 -2.611 105.605 1.00 12.02 ? 161 PRO H HB3 1 ATOM 2662 H HG2 . PRO A 1 166 ? 61.538 -5.187 105.109 1.00 12.68 ? 161 PRO H HG2 1 ATOM 2663 H HG3 . PRO A 1 166 ? 60.018 -4.777 105.374 1.00 12.68 ? 161 PRO H HG3 1 ATOM 2664 H HD2 . PRO A 1 166 ? 60.905 -5.132 102.967 1.00 12.71 ? 161 PRO H HD2 1 ATOM 2665 H HD3 . PRO A 1 166 ? 59.719 -4.098 103.266 1.00 12.71 ? 161 PRO H HD3 1 ATOM 2666 N N . ILE A 1 167 ? 64.433 -2.090 104.932 1.00 8.77 ? 162 ILE H N 1 ATOM 2667 C CA . ILE A 1 167 ? 65.771 -2.382 105.395 1.00 8.60 ? 162 ILE H CA 1 ATOM 2668 C C . ILE A 1 167 ? 65.677 -3.275 106.622 1.00 8.97 ? 162 ILE H C 1 ATOM 2669 O O . ILE A 1 167 ? 64.809 -3.094 107.463 1.00 9.87 ? 162 ILE H O 1 ATOM 2670 C CB . ILE A 1 167 ? 66.514 -1.054 105.686 1.00 9.25 ? 162 ILE H CB 1 ATOM 2671 C CG1 . ILE A 1 167 ? 66.661 -0.237 104.386 1.00 9.59 ? 162 ILE H CG1 1 ATOM 2672 C CG2 . ILE A 1 167 ? 67.857 -1.307 106.372 1.00 9.96 ? 162 ILE H CG2 1 ATOM 2673 C CD1 . ILE A 1 167 ? 67.086 1.171 104.603 1.00 11.32 ? 162 ILE H CD1 1 ATOM 2674 H H . ILE A 1 167 ? 64.231 -1.255 104.964 1.00 10.52 ? 162 ILE H H 1 ATOM 2675 H HA . ILE A 1 167 ? 66.256 -2.860 104.704 1.00 10.33 ? 162 ILE H HA 1 ATOM 2676 H HB . ILE A 1 167 ? 65.965 -0.538 106.297 1.00 11.10 ? 162 ILE H HB 1 ATOM 2677 H HG12 . ILE A 1 167 ? 67.326 -0.663 103.823 1.00 11.51 ? 162 ILE H HG12 1 ATOM 2678 H HG13 . ILE A 1 167 ? 65.806 -0.221 103.929 1.00 11.51 ? 162 ILE H HG13 1 ATOM 2679 H HG21 . ILE A 1 167 ? 68.410 -1.854 105.791 1.00 11.96 ? 162 ILE H HG21 1 ATOM 2680 H HG22 . ILE A 1 167 ? 68.292 -0.456 106.538 1.00 11.96 ? 162 ILE H HG22 1 ATOM 2681 H HG23 . ILE A 1 167 ? 67.701 -1.768 107.211 1.00 11.96 ? 162 ILE H HG23 1 ATOM 2682 H HD11 . ILE A 1 167 ? 67.947 1.176 105.049 1.00 13.58 ? 162 ILE H HD11 1 ATOM 2683 H HD12 . ILE A 1 167 ? 67.155 1.616 103.744 1.00 13.58 ? 162 ILE H HD12 1 ATOM 2684 H HD13 . ILE A 1 167 ? 66.425 1.618 105.155 1.00 13.58 ? 162 ILE H HD13 1 ATOM 2685 N N . VAL A 1 168 ? 66.600 -4.222 106.721 1.00 9.10 ? 163 VAL H N 1 ATOM 2686 C CA . VAL A 1 168 ? 66.604 -5.218 107.780 1.00 9.70 ? 163 VAL H CA 1 ATOM 2687 C C . VAL A 1 168 ? 67.760 -4.953 108.745 1.00 9.41 ? 163 VAL H C 1 ATOM 2688 O O . VAL A 1 168 ? 68.842 -4.510 108.369 1.00 9.69 ? 163 VAL H O 1 ATOM 2689 C CB . VAL A 1 168 ? 66.654 -6.619 107.141 1.00 10.76 ? 163 VAL H CB 1 ATOM 2690 C CG1 . VAL A 1 168 ? 66.875 -7.750 108.162 1.00 10.93 ? 163 VAL H CG1 1 ATOM 2691 C CG2 . VAL A 1 168 ? 65.361 -6.857 106.375 1.00 12.19 ? 163 VAL H CG2 1 ATOM 2692 H H . VAL A 1 168 ? 67.253 -4.309 106.169 1.00 10.92 ? 163 VAL H H 1 ATOM 2693 H HA . VAL A 1 168 ? 65.776 -5.148 108.280 1.00 11.63 ? 163 VAL H HA 1 ATOM 2694 H HB . VAL A 1 168 ? 67.385 -6.647 106.505 1.00 12.91 ? 163 VAL H HB 1 ATOM 2695 H HG11 . VAL A 1 168 ? 66.147 -7.743 108.803 1.00 13.12 ? 163 VAL H HG11 1 ATOM 2696 H HG12 . VAL A 1 168 ? 66.896 -8.599 107.693 1.00 13.12 ? 163 VAL H HG12 1 ATOM 2697 H HG13 . VAL A 1 168 ? 67.719 -7.603 108.618 1.00 13.12 ? 163 VAL H HG13 1 ATOM 2698 H HG21 . VAL A 1 168 ? 65.275 -6.181 105.685 1.00 14.62 ? 163 VAL H HG21 1 ATOM 2699 H HG22 . VAL A 1 168 ? 65.392 -7.739 105.972 1.00 14.62 ? 163 VAL H HG22 1 ATOM 2700 H HG23 . VAL A 1 168 ? 64.614 -6.800 106.991 1.00 14.62 ? 163 VAL H HG23 1 ATOM 2701 N N . GLU A 1 169 ? 67.509 -5.240 110.022 1.00 10.49 ? 164 GLU H N 1 ATOM 2702 C CA . GLU A 1 169 ? 68.505 -5.160 111.064 1.00 11.63 ? 164 GLU H CA 1 ATOM 2703 C C . GLU A 1 169 ? 69.755 -5.956 110.704 1.00 10.42 ? 164 GLU H C 1 ATOM 2704 O O . GLU A 1 169 ? 69.670 -7.085 110.228 1.00 10.35 ? 164 GLU H O 1 ATOM 2705 C CB . GLU A 1 169 ? 67.937 -5.745 112.390 1.00 15.59 ? 164 GLU H CB 1 ATOM 2706 C CG . GLU A 1 169 ? 66.751 -5.009 113.013 1.00 18.26 ? 164 GLU H CG 1 ATOM 2707 C CD . GLU A 1 169 ? 65.370 -5.355 112.424 1.00 19.96 ? 164 GLU H CD 1 ATOM 2708 O OE1 . GLU A 1 169 ? 65.265 -6.103 111.425 1.00 18.96 ? 164 GLU H OE1 1 ATOM 2709 O OE2 . GLU A 1 169 ? 64.371 -4.846 112.977 1.00 22.82 ? 164 GLU H OE2 1 ATOM 2710 H H . GLU A 1 169 ? 66.739 -5.492 110.309 1.00 12.58 ? 164 GLU H H 1 ATOM 2711 H HA . GLU A 1 169 ? 68.754 -4.235 111.211 1.00 13.96 ? 164 GLU H HA 1 ATOM 2712 H HB2 . GLU A 1 169 ? 67.652 -6.657 112.221 1.00 18.71 ? 164 GLU H HB2 1 ATOM 2713 H HB3 . GLU A 1 169 ? 68.650 -5.749 113.048 1.00 18.71 ? 164 GLU H HB3 1 ATOM 2714 H HG2 . GLU A 1 169 ? 66.723 -5.218 113.960 1.00 21.92 ? 164 GLU H HG2 1 ATOM 2715 H HG3 . GLU A 1 169 ? 66.886 -4.055 112.896 1.00 21.92 ? 164 GLU H HG3 1 ATOM 2716 N N . ARG A 1 170 ? 70.924 -5.394 110.967 1.00 10.51 ? 165 ARG H N 1 ATOM 2717 C CA . ARG A 1 170 ? 72.156 -6.050 110.541 1.00 10.38 ? 165 ARG H CA 1 ATOM 2718 C C . ARG A 1 170 ? 72.351 -7.463 111.127 1.00 10.18 ? 165 ARG H C 1 ATOM 2719 O O . ARG A 1 170 ? 72.802 -8.339 110.409 1.00 10.57 ? 165 ARG H O 1 ATOM 2720 C CB . ARG A 1 170 ? 73.380 -5.151 110.777 1.00 10.83 ? 165 ARG H CB 1 ATOM 2721 C CG . ARG A 1 170 ? 73.262 -3.825 110.009 1.00 12.14 ? 165 ARG H CG 1 ATOM 2722 C CD . ARG A 1 170 ? 74.556 -3.009 109.947 1.00 12.56 ? 165 ARG H CD 1 ATOM 2723 N NE . ARG A 1 170 ? 75.576 -3.667 109.163 1.00 11.43 ? 165 ARG H NE 1 ATOM 2724 C CZ . ARG A 1 170 ? 75.673 -3.603 107.836 1.00 10.72 ? 165 ARG H CZ 1 ATOM 2725 N NH1 . ARG A 1 170 ? 74.813 -2.884 107.123 1.00 11.56 ? 165 ARG H NH1 1 ATOM 2726 N NH2 . ARG A 1 170 ? 76.626 -4.264 107.211 1.00 11.18 ? 165 ARG H NH2 1 ATOM 2727 H H . ARG A 1 170 ? 71.035 -4.649 111.382 1.00 12.61 ? 165 ARG H H 1 ATOM 2728 H HA . ARG A 1 170 ? 72.094 -6.168 109.580 1.00 12.45 ? 165 ARG H HA 1 ATOM 2729 H HB2 . ARG A 1 170 ? 73.451 -4.949 111.723 1.00 12.99 ? 165 ARG H HB2 1 ATOM 2730 H HB3 . ARG A 1 170 ? 74.178 -5.610 110.471 1.00 12.99 ? 165 ARG H HB3 1 ATOM 2731 H HG2 . ARG A 1 170 ? 72.992 -4.018 109.098 1.00 14.56 ? 165 ARG H HG2 1 ATOM 2732 H HG3 . ARG A 1 170 ? 72.589 -3.276 110.440 1.00 14.56 ? 165 ARG H HG3 1 ATOM 2733 H HD2 . ARG A 1 170 ? 74.370 -2.148 109.539 1.00 15.07 ? 165 ARG H HD2 1 ATOM 2734 H HD3 . ARG A 1 170 ? 74.898 -2.886 110.846 1.00 15.07 ? 165 ARG H HD3 1 ATOM 2735 H HE . ARG A 1 170 ? 76.163 -4.133 109.584 1.00 13.71 ? 165 ARG H HE 1 ATOM 2736 H HH11 . ARG A 1 170 ? 74.181 -2.454 107.518 1.00 13.42 ? 165 ARG H HH11 1 ATOM 2737 H HH12 . ARG A 1 170 ? 74.888 -2.849 106.267 1.00 13.42 ? 165 ARG H HH12 1 ATOM 2738 H HH21 . ARG A 1 170 ? 77.193 -4.729 107.660 1.00 13.87 ? 165 ARG H HH21 1 ATOM 2739 H HH22 . ARG A 1 170 ? 76.694 -4.214 106.355 1.00 13.87 ? 165 ARG H HH22 1 ATOM 2740 N N . PRO A 1 171 ? 71.995 -7.707 112.407 1.00 10.93 ? 166 PRO H N 1 ATOM 2741 C CA . PRO A 1 171 ? 72.174 -9.078 112.904 1.00 11.63 ? 166 PRO H CA 1 ATOM 2742 C C . PRO A 1 171 ? 71.283 -10.085 112.181 1.00 11.37 ? 166 PRO H C 1 ATOM 2743 O O . PRO A 1 171 ? 71.693 -11.226 111.993 1.00 11.76 ? 166 PRO H O 1 ATOM 2744 C CB . PRO A 1 171 ? 71.805 -8.954 114.387 1.00 13.47 ? 166 PRO H CB 1 ATOM 2745 C CG . PRO A 1 171 ? 72.148 -7.532 114.745 1.00 13.84 ? 166 PRO H CG 1 ATOM 2746 C CD . PRO A 1 171 ? 71.715 -6.754 113.498 1.00 11.94 ? 166 PRO H CD 1 ATOM 2747 H HA . PRO A 1 171 ? 73.101 -9.350 112.824 1.00 13.96 ? 166 PRO H HA 1 ATOM 2748 H HB2 . PRO A 1 171 ? 70.856 -9.120 114.504 1.00 16.16 ? 166 PRO H HB2 1 ATOM 2749 H HB3 . PRO A 1 171 ? 72.332 -9.578 114.910 1.00 16.16 ? 166 PRO H HB3 1 ATOM 2750 H HG2 . PRO A 1 171 ? 71.643 -7.253 115.525 1.00 16.61 ? 166 PRO H HG2 1 ATOM 2751 H HG3 . PRO A 1 171 ? 73.103 -7.447 114.896 1.00 16.61 ? 166 PRO H HG3 1 ATOM 2752 H HD2 . PRO A 1 171 ? 70.767 -6.551 113.537 1.00 14.33 ? 166 PRO H HD2 1 ATOM 2753 H HD3 . PRO A 1 171 ? 72.250 -5.952 113.395 1.00 14.33 ? 166 PRO H HD3 1 ATOM 2754 N N . VAL A 1 172 ? 70.092 -9.671 111.747 1.00 11.47 ? 167 VAL H N 1 ATOM 2755 C CA . VAL A 1 172 ? 69.202 -10.559 111.007 1.00 11.54 ? 167 VAL H CA 1 ATOM 2756 C C . VAL A 1 172 ? 69.809 -10.822 109.618 1.00 10.64 ? 167 VAL H C 1 ATOM 2757 O O . VAL A 1 172 ? 69.808 -11.962 109.139 1.00 11.22 ? 167 VAL H O 1 ATOM 2758 C CB . VAL A 1 172 ? 67.775 -9.985 110.921 1.00 12.32 ? 167 VAL H CB 1 ATOM 2759 C CG1 . VAL A 1 172 ? 66.890 -10.822 109.979 1.00 12.24 ? 167 VAL H CG1 1 ATOM 2760 C CG2 . VAL A 1 172 ? 67.156 -9.889 112.310 1.00 14.07 ? 167 VAL H CG2 1 ATOM 2761 H H . VAL A 1 172 ? 69.777 -8.880 111.869 1.00 13.76 ? 167 VAL H H 1 ATOM 2762 H HA . VAL A 1 172 ? 69.151 -11.408 111.473 1.00 13.85 ? 167 VAL H HA 1 ATOM 2763 H HB . VAL A 1 172 ? 67.824 -9.087 110.558 1.00 14.79 ? 167 VAL H HB 1 ATOM 2764 H HG11 . VAL A 1 172 ? 66.841 -11.730 110.316 1.00 14.69 ? 167 VAL H HG11 1 ATOM 2765 H HG12 . VAL A 1 172 ? 66.003 -10.431 109.951 1.00 14.69 ? 167 VAL H HG12 1 ATOM 2766 H HG13 . VAL A 1 172 ? 67.282 -10.818 109.092 1.00 14.69 ? 167 VAL H HG13 1 ATOM 2767 H HG21 . VAL A 1 172 ? 67.703 -9.305 112.859 1.00 16.88 ? 167 VAL H HG21 1 ATOM 2768 H HG22 . VAL A 1 172 ? 66.260 -9.526 112.231 1.00 16.88 ? 167 VAL H HG22 1 ATOM 2769 H HG23 . VAL A 1 172 ? 67.122 -10.776 112.701 1.00 16.88 ? 167 VAL H HG23 1 ATOM 2770 N N . CYS A 1 173 ? 70.338 -9.783 108.962 1.00 10.32 ? 168 CYS H N 1 ATOM 2771 C CA . CYS A 1 173 ? 71.018 -9.998 107.696 1.00 10.36 ? 168 CYS H CA 1 ATOM 2772 C C . CYS A 1 173 ? 72.159 -11.020 107.873 1.00 9.56 ? 168 CYS H C 1 ATOM 2773 O O . CYS A 1 173 ? 72.294 -11.959 107.090 1.00 10.26 ? 168 CYS H O 1 ATOM 2774 C CB . CYS A 1 173 ? 71.575 -8.678 107.147 1.00 10.32 ? 168 CYS H CB 1 ATOM 2775 S SG . CYS A 1 173 ? 70.377 -7.391 106.805 1.00 10.95 ? 168 CYS H SG 1 ATOM 2776 H H . CYS A 1 173 ? 70.315 -8.965 109.227 1.00 12.38 ? 168 CYS H H 1 ATOM 2777 H HA . CYS A 1 173 ? 70.388 -10.354 107.051 1.00 12.43 ? 168 CYS H HA 1 ATOM 2778 H HB2 . CYS A 1 173 ? 72.204 -8.322 107.794 1.00 12.39 ? 168 CYS H HB2 1 ATOM 2779 H HB3 . CYS A 1 173 ? 72.040 -8.867 106.317 1.00 12.39 ? 168 CYS H HB3 1 ATOM 2780 N N A LYS A 1 174 ? 72.991 -10.821 108.882 0.50 9.79 ? 169 LYS H N 1 ATOM 2781 N N B LYS A 1 174 ? 72.993 -10.822 108.883 0.50 9.79 ? 169 LYS H N 1 ATOM 2782 C CA A LYS A 1 174 ? 74.143 -11.691 109.106 0.50 10.51 ? 169 LYS H CA 1 ATOM 2783 C CA B LYS A 1 174 ? 74.146 -11.692 109.105 0.50 10.51 ? 169 LYS H CA 1 ATOM 2784 C C A LYS A 1 174 ? 73.716 -13.136 109.373 0.50 10.97 ? 169 LYS H C 1 ATOM 2785 C C B LYS A 1 174 ? 73.718 -13.137 109.375 0.50 10.97 ? 169 LYS H C 1 ATOM 2786 O O A LYS A 1 174 ? 74.348 -14.079 108.884 0.50 11.03 ? 169 LYS H O 1 ATOM 2787 O O B LYS A 1 174 ? 74.352 -14.081 108.891 0.50 11.03 ? 169 LYS H O 1 ATOM 2788 C CB A LYS A 1 174 ? 74.962 -11.147 110.297 0.50 12.74 ? 169 LYS H CB 1 ATOM 2789 C CB B LYS A 1 174 ? 74.978 -11.150 110.289 0.50 12.74 ? 169 LYS H CB 1 ATOM 2790 C CG A LYS A 1 174 ? 76.305 -11.832 110.564 0.50 16.75 ? 169 LYS H CG 1 ATOM 2791 C CG B LYS A 1 174 ? 76.309 -11.865 110.558 0.50 16.75 ? 169 LYS H CG 1 ATOM 2792 C CD A LYS A 1 174 ? 77.050 -11.244 111.760 0.50 19.51 ? 169 LYS H CD 1 ATOM 2793 C CD B LYS A 1 174 ? 77.085 -11.301 111.748 0.50 19.51 ? 169 LYS H CD 1 ATOM 2794 C CE A LYS A 1 174 ? 78.365 -11.967 111.992 0.50 23.99 ? 169 LYS H CE 1 ATOM 2795 C CE B LYS A 1 174 ? 78.322 -12.143 112.021 0.50 23.99 ? 169 LYS H CE 1 ATOM 2796 N NZ A LYS A 1 174 ? 78.172 -13.401 112.332 0.50 28.83 ? 169 LYS H NZ 1 ATOM 2797 N NZ B LYS A 1 174 ? 79.166 -11.580 113.107 0.50 28.83 ? 169 LYS H NZ 1 ATOM 2798 H H A LYS A 1 174 ? 72.913 -10.187 109.458 0.50 11.75 ? 169 LYS H H 1 ATOM 2799 H H B LYS A 1 174 ? 72.916 -10.188 109.458 0.50 11.75 ? 169 LYS H H 1 ATOM 2800 H HA A LYS A 1 174 ? 74.709 -11.681 108.318 0.50 12.61 ? 169 LYS H HA 1 ATOM 2801 H HA B LYS A 1 174 ? 74.706 -11.686 108.313 0.50 12.61 ? 169 LYS H HA 1 ATOM 2802 H HB2 A LYS A 1 174 ? 75.144 -10.208 110.138 0.50 15.28 ? 169 LYS H HB2 1 ATOM 2803 H HB2 B LYS A 1 174 ? 75.181 -10.217 110.118 0.50 15.29 ? 169 LYS H HB2 1 ATOM 2804 H HB3 A LYS A 1 174 ? 74.426 -11.239 111.101 0.50 15.28 ? 169 LYS H HB3 1 ATOM 2805 H HB3 B LYS A 1 174 ? 74.444 -11.220 111.096 0.50 15.29 ? 169 LYS H HB3 1 ATOM 2806 H HG2 A LYS A 1 174 ? 76.148 -12.773 110.742 0.50 20.10 ? 169 LYS H HG2 1 ATOM 2807 H HG2 B LYS A 1 174 ? 76.129 -12.801 110.739 0.50 20.10 ? 169 LYS H HG2 1 ATOM 2808 H HG3 A LYS A 1 174 ? 76.870 -11.733 109.782 0.50 20.10 ? 169 LYS H HG3 1 ATOM 2809 H HG3 B LYS A 1 174 ? 76.871 -11.784 109.772 0.50 20.10 ? 169 LYS H HG3 1 ATOM 2810 H HD2 A LYS A 1 174 ? 77.241 -10.309 111.591 0.50 23.41 ? 169 LYS H HD2 1 ATOM 2811 H HD2 B LYS A 1 174 ? 77.367 -10.395 111.550 0.50 23.41 ? 169 LYS H HD2 1 ATOM 2812 H HD3 A LYS A 1 174 ? 76.505 -11.339 112.557 0.50 23.41 ? 169 LYS H HD3 1 ATOM 2813 H HD3 B LYS A 1 174 ? 76.522 -11.317 112.538 0.50 23.41 ? 169 LYS H HD3 1 ATOM 2814 H HE2 A LYS A 1 174 ? 78.900 -11.919 111.184 0.50 28.79 ? 169 LYS H HE2 1 ATOM 2815 H HE2 B LYS A 1 174 ? 78.046 -13.034 112.286 0.50 28.79 ? 169 LYS H HE2 1 ATOM 2816 H HE3 A LYS A 1 174 ? 78.834 -11.544 112.728 0.50 28.79 ? 169 LYS H HE3 1 ATOM 2817 H HE3 B LYS A 1 174 ? 78.859 -12.187 111.215 0.50 28.79 ? 169 LYS H HE3 1 ATOM 2818 H HZ1 A LYS A 1 174 ? 77.748 -13.817 111.669 0.50 34.60 ? 169 LYS H HZ1 1 ATOM 2819 H HZ1 B LYS A 1 174 ? 78.699 -11.534 113.863 0.50 34.59 ? 169 LYS H HZ1 1 ATOM 2820 H HZ2 A LYS A 1 174 ? 78.961 -13.792 112.461 0.50 34.60 ? 169 LYS H HZ2 1 ATOM 2821 H HZ2 B LYS A 1 174 ? 79.879 -12.097 113.238 0.50 34.59 ? 169 LYS H HZ2 1 ATOM 2822 H HZ3 A LYS A 1 174 ? 77.688 -13.475 113.075 0.50 34.60 ? 169 LYS H HZ3 1 ATOM 2823 H HZ3 B LYS A 1 174 ? 79.440 -10.762 112.886 0.50 34.59 ? 169 LYS H HZ3 1 ATOM 2824 N N . ASP A 1 175 ? 72.655 -13.298 110.158 1.00 10.32 ? 170 ASP H N 1 ATOM 2825 C CA . ASP A 1 175 ? 72.191 -14.607 110.592 1.00 10.54 ? 170 ASP H CA 1 ATOM 2826 C C . ASP A 1 175 ? 71.438 -15.359 109.519 1.00 10.89 ? 170 ASP H C 1 ATOM 2827 O O . ASP A 1 175 ? 71.089 -16.527 109.738 1.00 11.69 ? 170 ASP H O 1 ATOM 2828 C CB . ASP A 1 175 ? 71.331 -14.473 111.854 1.00 12.02 ? 170 ASP H CB 1 ATOM 2829 C CG . ASP A 1 175 ? 72.148 -14.258 113.098 1.00 14.34 ? 170 ASP H CG 1 ATOM 2830 O OD1 . ASP A 1 175 ? 73.390 -14.377 113.043 1.00 15.23 ? 170 ASP H OD1 1 ATOM 2831 O OD2 . ASP A 1 175 ? 71.523 -13.994 114.146 1.00 17.15 ? 170 ASP H OD2 1 ATOM 2832 H H . ASP A 1 175 ? 72.176 -12.650 110.458 1.00 12.39 ? 170 ASP H H 1 ATOM 2833 H HA . ASP A 1 175 ? 72.966 -15.141 110.826 1.00 12.65 ? 170 ASP H HA 1 ATOM 2834 H HB2 . ASP A 1 175 ? 70.736 -13.713 111.751 1.00 14.43 ? 170 ASP H HB2 1 ATOM 2835 H HB3 . ASP A 1 175 ? 70.814 -15.285 111.971 1.00 14.43 ? 170 ASP H HB3 1 ATOM 2836 N N . SER A 1 176 ? 71.204 -14.723 108.366 1.00 10.43 ? 171 SER H N 1 ATOM 2837 C CA . SER A 1 176 ? 70.462 -15.341 107.270 1.00 10.56 ? 171 SER H CA 1 ATOM 2838 C C . SER A 1 176 ? 71.333 -16.094 106.274 1.00 10.46 ? 171 SER H C 1 ATOM 2839 O O . SER A 1 176 ? 70.800 -16.731 105.360 1.00 11.64 ? 171 SER H O 1 ATOM 2840 C CB . SER A 1 176 ? 69.662 -14.284 106.523 1.00 10.66 ? 171 SER H CB 1 ATOM 2841 O OG . SER A 1 176 ? 70.496 -13.463 105.708 1.00 11.35 ? 171 SER H OG 1 ATOM 2842 H H . SER A 1 176 ? 71.470 -13.923 108.195 1.00 12.52 ? 171 SER H H 1 ATOM 2843 H HA . SER A 1 176 ? 69.831 -15.975 107.644 1.00 12.68 ? 171 SER H HA 1 ATOM 2844 H HB2 . SER A 1 176 ? 69.011 -14.727 105.957 1.00 12.80 ? 171 SER H HB2 1 ATOM 2845 H HB3 . SER A 1 176 ? 69.207 -13.722 107.170 1.00 12.80 ? 171 SER H HB3 1 ATOM 2846 H HG . SER A 1 176 ? 71.065 -13.069 106.185 1.00 13.62 ? 171 SER H HG 1 ATOM 2847 N N . THR A 1 177 ? 72.652 -15.996 106.422 1.00 10.02 ? 172 THR H N 1 ATOM 2848 C CA . THR A 1 177 ? 73.576 -16.429 105.387 1.00 10.45 ? 172 THR H CA 1 ATOM 2849 C C . THR A 1 177 ? 74.886 -16.876 106.015 1.00 10.19 ? 172 THR H C 1 ATOM 2850 O O . THR A 1 177 ? 75.233 -16.454 107.126 1.00 11.03 ? 172 THR H O 1 ATOM 2851 C CB . THR A 1 177 ? 73.813 -15.281 104.369 1.00 10.92 ? 172 THR H CB 1 ATOM 2852 O OG1 . THR A 1 177 ? 74.684 -15.711 103.325 1.00 11.41 ? 172 THR H OG1 1 ATOM 2853 C CG2 . THR A 1 177 ? 74.416 -14.042 105.002 1.00 11.16 ? 172 THR H CG2 1 ATOM 2854 H H . THR A 1 177 ? 73.037 -15.677 107.121 1.00 12.02 ? 172 THR H H 1 ATOM 2855 H HA . THR A 1 177 ? 73.194 -17.184 104.912 1.00 12.54 ? 172 THR H HA 1 ATOM 2856 H HB . THR A 1 177 ? 72.960 -15.030 103.980 1.00 13.11 ? 172 THR H HB 1 ATOM 2857 H HG1 . THR A 1 177 ? 74.346 -16.365 102.919 1.00 13.69 ? 172 THR H HG1 1 ATOM 2858 H HG21 . THR A 1 177 ? 75.273 -14.257 105.401 1.00 13.39 ? 172 THR H HG21 1 ATOM 2859 H HG22 . THR A 1 177 ? 74.544 -13.355 104.329 1.00 13.39 ? 172 THR H HG22 1 ATOM 2860 H HG23 . THR A 1 177 ? 73.824 -13.701 105.692 1.00 13.39 ? 172 THR H HG23 1 ATOM 2861 N N . ARG A 1 178 ? 75.638 -17.688 105.267 1.00 10.30 ? 173 ARG H N 1 ATOM 2862 C CA . ARG A 1 178 ? 76.999 -18.053 105.643 1.00 10.69 ? 173 ARG H CA 1 ATOM 2863 C C . ARG A 1 178 ? 78.029 -17.094 105.051 1.00 11.19 ? 173 ARG H C 1 ATOM 2864 O O . ARG A 1 178 ? 79.192 -17.135 105.460 1.00 13.06 ? 173 ARG H O 1 ATOM 2865 C CB . ARG A 1 178 ? 77.313 -19.469 105.208 1.00 11.47 ? 173 ARG H CB 1 ATOM 2866 C CG . ARG A 1 178 ? 76.392 -20.506 105.858 1.00 12.09 ? 173 ARG H CG 1 ATOM 2867 C CD . ARG A 1 178 ? 76.594 -21.913 105.352 1.00 12.10 ? 173 ARG H CD 1 ATOM 2868 N NE . ARG A 1 178 ? 77.927 -22.407 105.647 1.00 12.76 ? 173 ARG H NE 1 ATOM 2869 C CZ . ARG A 1 178 ? 78.307 -23.655 105.471 1.00 14.42 ? 173 ARG H CZ 1 ATOM 2870 N NH1 . ARG A 1 178 ? 77.438 -24.552 105.029 1.00 15.94 ? 173 ARG H NH1 1 ATOM 2871 N NH2 . ARG A 1 178 ? 79.546 -24.012 105.769 1.00 16.40 ? 173 ARG H NH2 1 ATOM 2872 H H . ARG A 1 178 ? 75.376 -18.043 104.529 1.00 12.36 ? 173 ARG H H 1 ATOM 2873 H HA . ARG A 1 178 ? 77.078 -18.015 106.609 1.00 12.83 ? 173 ARG H HA 1 ATOM 2874 H HB2 . ARG A 1 178 ? 77.207 -19.535 104.246 1.00 13.76 ? 173 ARG H HB2 1 ATOM 2875 H HB3 . ARG A 1 178 ? 78.226 -19.681 105.456 1.00 13.76 ? 173 ARG H HB3 1 ATOM 2876 H HG2 . ARG A 1 178 ? 76.554 -20.510 106.815 1.00 14.51 ? 173 ARG H HG2 1 ATOM 2877 H HG3 . ARG A 1 178 ? 75.470 -20.258 105.683 1.00 14.51 ? 173 ARG H HG3 1 ATOM 2878 H HD2 . ARG A 1 178 ? 75.951 -22.501 105.779 1.00 14.52 ? 173 ARG H HD2 1 ATOM 2879 H HD3 . ARG A 1 178 ? 76.472 -21.926 104.390 1.00 14.52 ? 173 ARG H HD3 1 ATOM 2880 H HE . ARG A 1 178 ? 78.518 -21.839 105.906 1.00 15.31 ? 173 ARG H HE 1 ATOM 2881 H HH11 . ARG A 1 178 ? 76.634 -24.315 104.840 1.00 19.12 ? 173 ARG H HH11 1 ATOM 2882 H HH12 . ARG A 1 178 ? 77.683 -25.369 104.919 1.00 19.12 ? 173 ARG H HH12 1 ATOM 2883 H HH21 . ARG A 1 178 ? 80.103 -23.426 106.062 1.00 19.68 ? 173 ARG H HH21 1 ATOM 2884 H HH22 . ARG A 1 178 ? 79.795 -24.828 105.663 1.00 19.68 ? 173 ARG H HH22 1 ATOM 2885 N N . ILE A 1 179 ? 77.618 -16.251 104.113 1.00 10.55 ? 174 ILE H N 1 ATOM 2886 C CA . ILE A 1 179 ? 78.533 -15.309 103.490 1.00 10.72 ? 174 ILE H CA 1 ATOM 2887 C C . ILE A 1 179 ? 78.898 -14.218 104.499 1.00 10.88 ? 174 ILE H C 1 ATOM 2888 O O . ILE A 1 179 ? 78.064 -13.790 105.309 1.00 11.51 ? 174 ILE H O 1 ATOM 2889 C CB . ILE A 1 179 ? 77.867 -14.712 102.225 1.00 11.79 ? 174 ILE H CB 1 ATOM 2890 C CG1 . ILE A 1 179 ? 77.527 -15.817 101.235 1.00 13.46 ? 174 ILE H CG1 1 ATOM 2891 C CG2 . ILE A 1 179 ? 78.728 -13.623 101.605 1.00 12.25 ? 174 ILE H CG2 1 ATOM 2892 C CD1 . ILE A 1 179 ? 78.629 -16.563 100.739 1.00 15.89 ? 174 ILE H CD1 1 ATOM 2893 H H . ILE A 1 179 ? 76.811 -16.206 103.818 1.00 12.66 ? 174 ILE H H 1 ATOM 2894 H HA . ILE A 1 179 ? 79.345 -15.769 103.225 1.00 12.86 ? 174 ILE H HA 1 ATOM 2895 H HB . ILE A 1 179 ? 77.033 -14.301 102.501 1.00 14.15 ? 174 ILE H HB 1 ATOM 2896 H HG12 . ILE A 1 179 ? 76.926 -16.443 101.670 1.00 16.15 ? 174 ILE H HG12 1 ATOM 2897 H HG13 . ILE A 1 179 ? 77.080 -15.418 100.473 1.00 16.15 ? 174 ILE H HG13 1 ATOM 2898 H HG21 . ILE A 1 179 ? 79.586 -14.002 101.357 1.00 14.69 ? 174 ILE H HG21 1 ATOM 2899 H HG22 . ILE A 1 179 ? 78.279 -13.275 100.819 1.00 14.69 ? 174 ILE H HG22 1 ATOM 2900 H HG23 . ILE A 1 179 ? 78.856 -12.914 102.255 1.00 14.69 ? 174 ILE H HG23 1 ATOM 2901 H HD11 . ILE A 1 179 ? 79.082 -16.989 101.484 1.00 19.07 ? 174 ILE H HD11 1 ATOM 2902 H HD12 . ILE A 1 179 ? 78.303 -17.236 100.122 1.00 19.07 ? 174 ILE H HD12 1 ATOM 2903 H HD13 . ILE A 1 179 ? 79.237 -15.961 100.282 1.00 19.07 ? 174 ILE H HD13 1 ATOM 2904 N N . ARG A 1 180 ? 80.147 -13.774 104.448 1.00 11.24 ? 175 ARG H N 1 ATOM 2905 C CA . ARG A 1 180 ? 80.627 -12.687 105.295 1.00 11.60 ? 175 ARG H CA 1 ATOM 2906 C C . ARG A 1 180 ? 80.067 -11.347 104.816 1.00 11.22 ? 175 ARG H C 1 ATOM 2907 O O . ARG A 1 180 ? 80.316 -10.927 103.698 1.00 12.17 ? 175 ARG H O 1 ATOM 2908 C CB . ARG A 1 180 ? 82.154 -12.648 105.293 1.00 12.85 ? 175 ARG H CB 1 ATOM 2909 C CG . ARG A 1 180 ? 82.740 -11.570 106.200 1.00 14.41 ? 175 ARG H CG 1 ATOM 2910 C CD . ARG A 1 180 ? 84.277 -11.592 106.221 1.00 14.95 ? 175 ARG H CD 1 ATOM 2911 N NE . ARG A 1 180 ? 84.864 -11.349 104.894 1.00 16.11 ? 175 ARG H NE 1 ATOM 2912 C CZ . ARG A 1 180 ? 85.273 -10.162 104.453 1.00 17.47 ? 175 ARG H CZ 1 ATOM 2913 N NH1 . ARG A 1 180 ? 85.141 -9.077 105.207 1.00 18.27 ? 175 ARG H NH1 1 ATOM 2914 N NH2 . ARG A 1 180 ? 85.786 -10.052 103.233 1.00 19.46 ? 175 ARG H NH2 1 ATOM 2915 H H . ARG A 1 180 ? 80.748 -14.091 103.921 1.00 13.49 ? 175 ARG H H 1 ATOM 2916 H HA . ARG A 1 180 ? 80.327 -12.834 106.206 1.00 13.91 ? 175 ARG H HA 1 ATOM 2917 H HB2 . ARG A 1 180 ? 82.489 -13.506 105.596 1.00 15.42 ? 175 ARG H HB2 1 ATOM 2918 H HB3 . ARG A 1 180 ? 82.461 -12.475 104.390 1.00 15.42 ? 175 ARG H HB3 1 ATOM 2919 H HG2 . ARG A 1 180 ? 82.456 -10.699 105.882 1.00 17.29 ? 175 ARG H HG2 1 ATOM 2920 H HG3 . ARG A 1 180 ? 82.425 -11.713 107.106 1.00 17.29 ? 175 ARG H HG3 1 ATOM 2921 H HD2 . ARG A 1 180 ? 84.595 -10.899 106.821 1.00 17.94 ? 175 ARG H HD2 1 ATOM 2922 H HD3 . ARG A 1 180 ? 84.577 -12.461 106.527 1.00 17.94 ? 175 ARG H HD3 1 ATOM 2923 H HE . ARG A 1 180 ? 84.948 -12.022 104.365 1.00 19.33 ? 175 ARG H HE 1 ATOM 2924 H HH11 . ARG A 1 180 ? 84.806 -9.139 105.997 1.00 21.92 ? 175 ARG H HH11 1 ATOM 2925 H HH12 . ARG A 1 180 ? 85.404 -8.313 104.911 1.00 21.92 ? 175 ARG H HH12 1 ATOM 2926 H HH21 . ARG A 1 180 ? 85.869 -10.750 102.737 1.00 23.35 ? 175 ARG H HH21 1 ATOM 2927 H HH22 . ARG A 1 180 ? 86.046 -9.285 102.943 1.00 23.35 ? 175 ARG H HH22 1 ATOM 2928 N N . ILE A 1 181 ? 79.325 -10.691 105.687 1.00 10.72 ? 176 ILE H N 1 ATOM 2929 C CA . ILE A 1 181 ? 78.709 -9.396 105.368 1.00 11.37 ? 176 ILE H CA 1 ATOM 2930 C C . ILE A 1 181 ? 79.661 -8.292 105.818 1.00 11.68 ? 176 ILE H C 1 ATOM 2931 O O . ILE A 1 181 ? 80.366 -8.435 106.827 1.00 15.44 ? 176 ILE H O 1 ATOM 2932 C CB . ILE A 1 181 ? 77.322 -9.271 106.057 1.00 12.95 ? 176 ILE H CB 1 ATOM 2933 C CG1 . ILE A 1 181 ? 76.405 -10.460 105.716 1.00 14.10 ? 176 ILE H CG1 1 ATOM 2934 C CG2 . ILE A 1 181 ? 76.656 -7.925 105.801 1.00 14.39 ? 176 ILE H CG2 1 ATOM 2935 C CD1 . ILE A 1 181 ? 76.378 -10.841 104.296 1.00 15.63 ? 176 ILE H CD1 1 ATOM 2936 H H . ILE A 1 181 ? 79.156 -10.969 106.483 1.00 12.86 ? 176 ILE H H 1 ATOM 2937 H HA . ILE A 1 181 ? 78.584 -9.323 104.409 1.00 13.65 ? 176 ILE H HA 1 ATOM 2938 H HB . ILE A 1 181 ? 77.485 -9.318 107.012 1.00 15.54 ? 176 ILE H HB 1 ATOM 2939 H HG12 . ILE A 1 181 ? 76.704 -11.234 106.220 1.00 16.92 ? 176 ILE H HG12 1 ATOM 2940 H HG13 . ILE A 1 181 ? 75.498 -10.235 105.976 1.00 16.92 ? 176 ILE H HG13 1 ATOM 2941 H HG21 . ILE A 1 181 ? 76.529 -7.813 104.846 1.00 17.27 ? 176 ILE H HG21 1 ATOM 2942 H HG22 . ILE A 1 181 ? 75.798 -7.906 106.253 1.00 17.27 ? 176 ILE H HG22 1 ATOM 2943 H HG23 . ILE A 1 181 ? 77.227 -7.220 106.144 1.00 17.27 ? 176 ILE H HG23 1 ATOM 2944 H HD11 . ILE A 1 181 ? 77.274 -11.087 104.018 1.00 18.75 ? 176 ILE H HD11 1 ATOM 2945 H HD12 . ILE A 1 181 ? 75.776 -11.594 104.183 1.00 18.75 ? 176 ILE H HD12 1 ATOM 2946 H HD13 . ILE A 1 181 ? 76.065 -10.086 103.774 1.00 18.75 ? 176 ILE H HD13 1 ATOM 2947 N N . THR A 1 182 ? 79.720 -7.204 105.080 1.00 10.04 ? 177 THR H N 1 ATOM 2948 C CA . THR A 1 182 ? 80.586 -6.087 105.426 1.00 9.80 ? 177 THR H CA 1 ATOM 2949 C C . THR A 1 182 ? 79.788 -4.805 105.575 1.00 9.37 ? 177 THR H C 1 ATOM 2950 O O . THR A 1 182 ? 78.614 -4.718 105.183 1.00 9.69 ? 177 THR H O 1 ATOM 2951 C CB . THR A 1 182 ? 81.666 -5.847 104.375 1.00 10.19 ? 177 THR H CB 1 ATOM 2952 O OG1 . THR A 1 182 ? 81.041 -5.196 103.274 1.00 10.24 ? 177 THR H OG1 1 ATOM 2953 C CG2 . THR A 1 182 ? 82.345 -7.130 103.932 1.00 11.07 ? 177 THR H CG2 1 ATOM 2954 H H . THR A 1 182 ? 79.262 -7.080 104.362 1.00 12.05 ? 177 THR H H 1 ATOM 2955 H HA . THR A 1 182 ? 81.023 -6.273 106.272 1.00 11.76 ? 177 THR H HA 1 ATOM 2956 H HB . THR A 1 182 ? 82.344 -5.260 104.746 1.00 12.23 ? 177 THR H HB 1 ATOM 2957 H HG1 . THR A 1 182 ? 81.606 -5.045 102.671 1.00 12.28 ? 177 THR H HG1 1 ATOM 2958 H HG21 . THR A 1 182 ? 81.692 -7.735 103.548 1.00 13.29 ? 177 THR H HG21 1 ATOM 2959 H HG22 . THR A 1 182 ? 83.022 -6.933 103.266 1.00 13.29 ? 177 THR H HG22 1 ATOM 2960 H HG23 . THR A 1 182 ? 82.766 -7.561 104.692 1.00 13.29 ? 177 THR H HG23 1 ATOM 2961 N N . ASP A 1 183 ? 80.463 -3.786 106.103 1.00 9.72 ? 178 ASP H N 1 ATOM 2962 C CA . ASP A 1 183 ? 79.855 -2.476 106.255 1.00 10.15 ? 178 ASP H CA 1 ATOM 2963 C C . ASP A 1 183 ? 79.500 -1.812 104.919 1.00 9.73 ? 178 ASP H C 1 ATOM 2964 O O . ASP A 1 183 ? 78.772 -0.828 104.884 1.00 10.85 ? 178 ASP H O 1 ATOM 2965 C CB . ASP A 1 183 ? 80.815 -1.535 107.020 1.00 11.84 ? 178 ASP H CB 1 ATOM 2966 C CG . ASP A 1 183 ? 80.875 -1.791 108.511 1.00 14.83 ? 178 ASP H CG 1 ATOM 2967 O OD1 . ASP A 1 183 ? 80.138 -2.642 109.026 1.00 14.67 ? 178 ASP H OD1 1 ATOM 2968 O OD2 . ASP A 1 183 ? 81.670 -1.100 109.176 1.00 17.84 ? 178 ASP H OD2 1 ATOM 2969 H H . ASP A 1 183 ? 81.276 -3.832 106.381 1.00 11.66 ? 178 ASP H H 1 ATOM 2970 H HA . ASP A 1 183 ? 79.040 -2.563 106.774 1.00 12.17 ? 178 ASP H HA 1 ATOM 2971 H HB2 . ASP A 1 183 ? 81.710 -1.647 106.665 1.00 14.21 ? 178 ASP H HB2 1 ATOM 2972 H HB3 . ASP A 1 183 ? 80.522 -0.619 106.890 1.00 14.21 ? 178 ASP H HB3 1 ATOM 2973 N N . ASN A 1 184 ? 80.033 -2.340 103.827 1.00 9.22 ? 179 ASN H N 1 ATOM 2974 C CA . ASN A 1 184 ? 79.709 -1.843 102.491 1.00 9.07 ? 179 ASN H CA 1 ATOM 2975 C C . ASN A 1 184 ? 78.465 -2.472 101.883 1.00 8.52 ? 179 ASN H C 1 ATOM 2976 O O . ASN A 1 184 ? 78.197 -2.279 100.687 1.00 8.87 ? 179 ASN H O 1 ATOM 2977 C CB . ASN A 1 184 ? 80.898 -2.048 101.564 1.00 10.05 ? 179 ASN H CB 1 ATOM 2978 C CG . ASN A 1 184 ? 82.125 -1.365 102.098 1.00 11.35 ? 179 ASN H CG 1 ATOM 2979 O OD1 . ASN A 1 184 ? 82.081 -0.200 102.471 1.00 12.92 ? 179 ASN H OD1 1 ATOM 2980 N ND2 . ASN A 1 184 ? 83.220 -2.098 102.196 1.00 11.82 ? 179 ASN H ND2 1 ATOM 2981 H H . ASN A 1 184 ? 80.591 -2.995 103.830 1.00 11.06 ? 179 ASN H H 1 ATOM 2982 H HA . ASN A 1 184 ? 79.549 -0.888 102.552 1.00 10.89 ? 179 ASN H HA 1 ATOM 2983 H HB2 . ASN A 1 184 ? 81.086 -2.996 101.486 1.00 12.06 ? 179 ASN H HB2 1 ATOM 2984 H HB3 . ASN A 1 184 ? 80.694 -1.672 100.693 1.00 12.06 ? 179 ASN H HB3 1 ATOM 2985 H HD21 . ASN A 1 184 ? 83.206 -2.925 101.959 1.00 14.18 ? 179 ASN H HD21 1 ATOM 2986 H HD22 . ASN A 1 184 ? 83.946 -1.749 102.496 1.00 14.18 ? 179 ASN H HD22 1 ATOM 2987 N N . MET A 1 185 ? 77.703 -3.194 102.689 1.00 8.66 ? 180 MET H N 1 ATOM 2988 C CA . MET A 1 185 ? 76.476 -3.881 102.288 1.00 8.91 ? 180 MET H CA 1 ATOM 2989 C C . MET A 1 185 ? 75.388 -3.560 103.270 1.00 8.64 ? 180 MET H C 1 ATOM 2990 O O . MET A 1 185 ? 75.669 -3.330 104.453 1.00 9.64 ? 180 MET H O 1 ATOM 2991 C CB . MET A 1 185 ? 76.661 -5.404 102.318 1.00 9.81 ? 180 MET H CB 1 ATOM 2992 C CG . MET A 1 185 ? 77.815 -5.905 101.507 1.00 10.43 ? 180 MET H CG 1 ATOM 2993 S SD . MET A 1 185 ? 78.047 -7.669 101.822 1.00 10.27 ? 180 MET H SD 1 ATOM 2994 C CE . MET A 1 185 ? 79.603 -7.941 100.935 1.00 12.02 ? 180 MET H CE 1 ATOM 2995 H H . MET A 1 185 ? 77.885 -3.308 103.522 1.00 10.40 ? 180 MET H H 1 ATOM 2996 H HA . MET A 1 185 ? 76.213 -3.608 101.395 1.00 10.70 ? 180 MET H HA 1 ATOM 2997 H HB2 . MET A 1 185 ? 76.805 -5.681 103.237 1.00 11.77 ? 180 MET H HB2 1 ATOM 2998 H HB3 . MET A 1 185 ? 75.856 -5.822 101.974 1.00 11.77 ? 180 MET H HB3 1 ATOM 2999 H HG2 . MET A 1 185 ? 77.630 -5.779 100.563 1.00 12.51 ? 180 MET H HG2 1 ATOM 3000 H HG3 . MET A 1 185 ? 78.624 -5.434 101.764 1.00 12.51 ? 180 MET H HG3 1 ATOM 3001 H HE1 . MET A 1 185 ? 80.289 -7.375 101.321 1.00 14.42 ? 180 MET H HE1 1 ATOM 3002 H HE2 . MET A 1 185 ? 79.856 -8.874 101.021 1.00 14.42 ? 180 MET H HE2 1 ATOM 3003 H HE3 . MET A 1 185 ? 79.476 -7.718 100.000 1.00 14.42 ? 180 MET H HE3 1 ATOM 3004 N N . PHE A 1 186 ? 74.146 -3.594 102.801 1.00 8.21 ? 181 PHE H N 1 ATOM 3005 C CA . PHE A 1 186 ? 73.003 -3.700 103.699 1.00 8.18 ? 181 PHE H CA 1 ATOM 3006 C C . PHE A 1 186 ? 72.026 -4.693 103.077 1.00 8.09 ? 181 PHE H C 1 ATOM 3007 O O . PHE A 1 186 ? 72.154 -5.035 101.897 1.00 8.64 ? 181 PHE H O 1 ATOM 3008 C CB . PHE A 1 186 ? 72.345 -2.354 104.031 1.00 8.21 ? 181 PHE H CB 1 ATOM 3009 C CG . PHE A 1 186 ? 71.712 -1.650 102.843 1.00 8.32 ? 181 PHE H CG 1 ATOM 3010 C CD1 . PHE A 1 186 ? 72.439 -0.762 102.069 1.00 8.50 ? 181 PHE H CD1 1 ATOM 3011 C CD2 . PHE A 1 186 ? 70.380 -1.863 102.517 1.00 8.63 ? 181 PHE H CD2 1 ATOM 3012 C CE1 . PHE A 1 186 ? 71.853 -0.088 101.006 1.00 9.11 ? 181 PHE H CE1 1 ATOM 3013 C CE2 . PHE A 1 186 ? 69.787 -1.190 101.445 1.00 8.94 ? 181 PHE H CE2 1 ATOM 3014 C CZ . PHE A 1 186 ? 70.531 -0.298 100.705 1.00 8.73 ? 181 PHE H CZ 1 ATOM 3015 H H . PHE A 1 186 ? 73.939 -3.558 101.967 1.00 9.85 ? 181 PHE H H 1 ATOM 3016 H HA . PHE A 1 186 ? 73.309 -4.082 104.536 1.00 9.81 ? 181 PHE H HA 1 ATOM 3017 H HB2 . PHE A 1 186 ? 71.648 -2.503 104.689 1.00 9.85 ? 181 PHE H HB2 1 ATOM 3018 H HB3 . PHE A 1 186 ? 73.019 -1.761 104.398 1.00 9.85 ? 181 PHE H HB3 1 ATOM 3019 H HD1 . PHE A 1 186 ? 69.871 -2.449 103.028 1.00 10.35 ? 181 PHE H HD1 1 ATOM 3020 H HD2 . PHE A 1 186 ? 73.330 -0.598 102.279 1.00 10.21 ? 181 PHE H HD2 1 ATOM 3021 H HE1 . PHE A 1 186 ? 68.893 -1.339 101.237 1.00 10.73 ? 181 PHE H HE1 1 ATOM 3022 H HE2 . PHE A 1 186 ? 72.357 0.506 100.498 1.00 10.93 ? 181 PHE H HE2 1 ATOM 3023 H HZ . PHE A 1 186 ? 70.145 0.138 99.979 1.00 10.48 ? 181 PHE H HZ 1 ATOM 3024 N N . CYS A 1 187 ? 71.068 -5.182 103.851 1.00 8.11 ? 182 CYS H N 1 ATOM 3025 C CA . CYS A 1 187 ? 70.056 -6.089 103.303 1.00 8.52 ? 182 CYS H CA 1 ATOM 3026 C C . CYS A 1 187 ? 68.650 -5.556 103.524 1.00 8.36 ? 182 CYS H C 1 ATOM 3027 O O . CYS A 1 187 ? 68.400 -4.734 104.401 1.00 9.12 ? 182 CYS H O 1 ATOM 3028 C CB . CYS A 1 187 ? 70.257 -7.552 103.773 1.00 9.28 ? 182 CYS H CB 1 ATOM 3029 S SG . CYS A 1 187 ? 69.369 -8.148 105.201 1.00 10.23 ? 182 CYS H SG 1 ATOM 3030 H H . CYS A 1 187 ? 70.977 -5.009 104.689 1.00 9.74 ? 182 CYS H H 1 ATOM 3031 H HA . CYS A 1 187 ? 70.184 -6.102 102.342 1.00 10.23 ? 182 CYS H HA 1 ATOM 3032 H HB2 . CYS A 1 187 ? 70.014 -8.132 103.035 1.00 11.13 ? 182 CYS H HB2 1 ATOM 3033 H HB3 . CYS A 1 187 ? 71.200 -7.670 103.965 1.00 11.13 ? 182 CYS H HB3 1 ATOM 3034 N N . ALA A 1 188 ? 67.742 -6.029 102.675 1.00 8.87 ? 183 ALA H N 1 ATOM 3035 C CA . ALA A 1 188 ? 66.360 -5.566 102.680 1.00 8.73 ? 183 ALA H CA 1 ATOM 3036 C C . ALA A 1 188 ? 65.440 -6.689 102.246 1.00 8.94 ? 183 ALA H C 1 ATOM 3037 O O . ALA A 1 188 ? 65.831 -7.556 101.467 1.00 10.46 ? 183 ALA H O 1 ATOM 3038 C CB . ALA A 1 188 ? 66.181 -4.336 101.780 1.00 9.07 ? 183 ALA H CB 1 ATOM 3039 H H . ALA A 1 188 ? 67.905 -6.627 102.079 1.00 10.65 ? 183 ALA H H 1 ATOM 3040 H HA . ALA A 1 188 ? 66.117 -5.312 103.584 1.00 10.48 ? 183 ALA H HA 1 ATOM 3041 H HB1 . ALA A 1 188 ? 66.428 -4.572 100.872 1.00 10.88 ? 183 ALA H HB1 1 ATOM 3042 H HB2 . ALA A 1 188 ? 65.252 -4.057 101.808 1.00 10.88 ? 183 ALA H HB2 1 ATOM 3043 H HB3 . ALA A 1 188 ? 66.751 -3.622 102.104 1.00 10.88 ? 183 ALA H HB3 1 ATOM 3044 N N . GLY A 1 189 ? 64.213 -6.623 102.725 1.00 9.21 ? 184 GLY H N 1 ATOM 3045 C CA . GLY A 1 189 ? 63.194 -7.618 102.434 1.00 9.76 ? 184 GLY H CA 1 ATOM 3046 C C . GLY A 1 189 ? 62.343 -7.867 103.645 1.00 10.24 ? 184 GLY H C 1 ATOM 3047 O O . GLY A 1 189 ? 62.709 -7.506 104.757 1.00 10.52 ? 184 GLY H O 1 ATOM 3048 H H . GLY A 1 189 ? 63.935 -5.991 103.238 1.00 11.05 ? 184 GLY H H 1 ATOM 3049 H HA2 . GLY A 1 189 ? 62.627 -7.308 101.711 1.00 11.72 ? 184 GLY H HA2 1 ATOM 3050 H HA3 . GLY A 1 189 ? 63.613 -8.452 102.169 1.00 11.72 ? 184 GLY H HA3 1 ATOM 3051 N N . TYR A 1 190 A 61.209 -8.518 103.431 1.00 11.20 ? 184 TYR H N 1 ATOM 3052 C CA . TYR A 1 190 A 60.333 -8.901 104.523 1.00 12.38 ? 184 TYR H CA 1 ATOM 3053 C C . TYR A 1 190 A 60.789 -10.189 105.190 1.00 12.97 ? 184 TYR H C 1 ATOM 3054 O O . TYR A 1 190 A 61.401 -11.041 104.564 1.00 13.39 ? 184 TYR H O 1 ATOM 3055 C CB . TYR A 1 190 A 58.905 -9.074 104.007 1.00 13.22 ? 184 TYR H CB 1 ATOM 3056 C CG . TYR A 1 190 A 58.286 -7.761 103.573 1.00 13.06 ? 184 TYR H CG 1 ATOM 3057 C CD1 . TYR A 1 190 A 57.815 -6.850 104.516 1.00 13.41 ? 184 TYR H CD1 1 ATOM 3058 C CD2 . TYR A 1 190 A 58.187 -7.411 102.235 1.00 12.44 ? 184 TYR H CD2 1 ATOM 3059 C CE1 . TYR A 1 190 A 57.249 -5.656 104.140 1.00 13.92 ? 184 TYR H CE1 1 ATOM 3060 C CE2 . TYR A 1 190 A 57.621 -6.207 101.854 1.00 13.52 ? 184 TYR H CE2 1 ATOM 3061 C CZ . TYR A 1 190 A 57.178 -5.320 102.818 1.00 13.90 ? 184 TYR H CZ 1 ATOM 3062 O OH . TYR A 1 190 A 56.569 -4.106 102.522 1.00 15.15 ? 184 TYR H OH 1 ATOM 3063 H H . TYR A 1 190 A 60.923 -8.751 102.654 1.00 13.44 ? 184 TYR H H 1 ATOM 3064 H HA . TYR A 1 190 A 60.330 -8.199 105.191 1.00 14.86 ? 184 TYR H HA 1 ATOM 3065 H HB2 . TYR A 1 190 A 58.913 -9.670 103.242 1.00 15.86 ? 184 TYR H HB2 1 ATOM 3066 H HB3 . TYR A 1 190 A 58.355 -9.447 104.714 1.00 15.86 ? 184 TYR H HB3 1 ATOM 3067 H HD1 . TYR A 1 190 A 57.872 -7.062 105.419 1.00 16.10 ? 184 TYR H HD1 1 ATOM 3068 H HD2 . TYR A 1 190 A 58.498 -7.998 101.584 1.00 14.92 ? 184 TYR H HD2 1 ATOM 3069 H HE1 . TYR A 1 190 A 56.940 -5.064 104.788 1.00 16.70 ? 184 TYR H HE1 1 ATOM 3070 H HE2 . TYR A 1 190 A 57.559 -5.986 100.953 1.00 16.22 ? 184 TYR H HE2 1 ATOM 3071 H HH . TYR A 1 190 A 56.569 -3.980 101.691 1.00 18.18 ? 184 TYR H HH 1 ATOM 3072 N N . LYS A 1 191 ? 60.518 -10.290 106.482 1.00 14.64 ? 185 LYS H N 1 ATOM 3073 C CA A LYS A 1 191 ? 60.784 -11.497 107.248 0.46 15.66 ? 185 LYS H CA 1 ATOM 3074 C CA B LYS A 1 191 ? 60.786 -11.498 107.244 0.54 15.72 ? 185 LYS H CA 1 ATOM 3075 C C . LYS A 1 191 ? 59.654 -12.493 107.012 1.00 17.10 ? 185 LYS H C 1 ATOM 3076 O O . LYS A 1 191 ? 58.555 -12.109 106.627 1.00 17.83 ? 185 LYS H O 1 ATOM 3077 C CB A LYS A 1 191 ? 60.892 -11.162 108.738 0.46 15.95 ? 185 LYS H CB 1 ATOM 3078 C CB B LYS A 1 191 ? 60.919 -11.152 108.728 0.54 16.27 ? 185 LYS H CB 1 ATOM 3079 C CG A LYS A 1 191 ? 61.973 -10.129 109.047 0.46 16.62 ? 185 LYS H CG 1 ATOM 3080 C CG B LYS A 1 191 ? 62.030 -10.137 108.985 0.54 17.20 ? 185 LYS H CG 1 ATOM 3081 C CD A LYS A 1 191 ? 62.074 -9.811 110.518 0.46 18.11 ? 185 LYS H CD 1 ATOM 3082 C CD B LYS A 1 191 ? 62.046 -9.602 110.384 0.54 18.89 ? 185 LYS H CD 1 ATOM 3083 C CE A LYS A 1 191 ? 63.169 -8.791 110.797 0.46 18.48 ? 185 LYS H CE 1 ATOM 3084 C CE B LYS A 1 191 ? 63.141 -8.569 110.550 0.54 19.92 ? 185 LYS H CE 1 ATOM 3085 N NZ A LYS A 1 191 ? 62.870 -7.448 110.226 0.46 18.58 ? 185 LYS H NZ 1 ATOM 3086 N NZ B LYS A 1 191 ? 63.003 -7.846 111.834 0.54 20.70 ? 185 LYS H NZ 1 ATOM 3087 H H A LYS A 1 191 ? 60.172 -9.656 106.949 0.46 17.56 ? 185 LYS H H 1 ATOM 3088 H H B LYS A 1 191 ? 60.171 -9.658 106.950 0.54 17.56 ? 185 LYS H H 1 ATOM 3089 H HA A LYS A 1 191 ? 61.618 -11.896 106.956 0.46 18.80 ? 185 LYS H HA 1 ATOM 3090 H HA B LYS A 1 191 ? 61.617 -11.897 106.942 0.54 18.87 ? 185 LYS H HA 1 ATOM 3091 H HB2 A LYS A 1 191 ? 60.043 -10.804 109.042 0.46 19.15 ? 185 LYS H HB2 1 ATOM 3092 H HB2 B LYS A 1 191 ? 60.084 -10.771 109.041 0.54 19.52 ? 185 LYS H HB2 1 ATOM 3093 H HB3 A LYS A 1 191 ? 61.104 -11.971 109.229 0.46 19.15 ? 185 LYS H HB3 1 ATOM 3094 H HB3 B LYS A 1 191 ? 61.126 -11.958 109.225 0.54 19.52 ? 185 LYS H HB3 1 ATOM 3095 H HG2 A LYS A 1 191 ? 62.832 -10.473 108.755 0.46 19.94 ? 185 LYS H HG2 1 ATOM 3096 H HG2 B LYS A 1 191 ? 62.886 -10.563 108.821 0.54 20.63 ? 185 LYS H HG2 1 ATOM 3097 H HG3 A LYS A 1 191 ? 61.768 -9.306 108.576 0.46 19.94 ? 185 LYS H HG3 1 ATOM 3098 H HG3 B LYS A 1 191 ? 61.915 -9.387 108.381 0.54 20.63 ? 185 LYS H HG3 1 ATOM 3099 H HD2 A LYS A 1 191 ? 61.230 -9.443 110.824 0.46 21.74 ? 185 LYS H HD2 1 ATOM 3100 H HD2 B LYS A 1 191 ? 61.195 -9.179 110.577 0.54 22.67 ? 185 LYS H HD2 1 ATOM 3101 H HD3 A LYS A 1 191 ? 62.283 -10.623 111.006 0.46 21.74 ? 185 LYS H HD3 1 ATOM 3102 H HD3 B LYS A 1 191 ? 62.213 -10.328 111.006 0.54 22.67 ? 185 LYS H HD3 1 ATOM 3103 H HE2 A LYS A 1 191 ? 63.272 -8.692 111.756 0.46 22.18 ? 185 LYS H HE2 1 ATOM 3104 H HE2 B LYS A 1 191 ? 64.004 -9.012 110.540 0.54 23.91 ? 185 LYS H HE2 1 ATOM 3105 H HE3 A LYS A 1 191 ? 64.000 -9.104 110.405 0.46 22.18 ? 185 LYS H HE3 1 ATOM 3106 H HE3 B LYS A 1 191 ? 63.085 -7.924 109.828 0.54 23.91 ? 185 LYS H HE3 1 ATOM 3107 H HZ1 A LYS A 1 191 ? 62.115 -7.131 110.575 0.46 22.30 ? 185 LYS H HZ1 1 ATOM 3108 H HZ1 B LYS A 1 191 ? 63.053 -8.419 112.513 0.54 24.84 ? 185 LYS H HZ1 1 ATOM 3109 H HZ2 A LYS A 1 191 ? 63.533 -6.884 110.411 0.46 22.30 ? 185 LYS H HZ2 1 ATOM 3110 H HZ2 B LYS A 1 191 ? 63.653 -7.244 111.915 0.54 24.84 ? 185 LYS H HZ2 1 ATOM 3111 H HZ3 A LYS A 1 191 ? 62.778 -7.506 109.343 0.46 22.30 ? 185 LYS H HZ3 1 ATOM 3112 H HZ3 B LYS A 1 191 ? 62.217 -7.429 111.865 0.54 24.84 ? 185 LYS H HZ3 1 ATOM 3113 N N . PRO A 1 192 ? 59.911 -13.785 107.237 1.00 18.05 ? 186 PRO H N 1 ATOM 3114 C CA . PRO A 1 192 ? 58.833 -14.769 107.040 1.00 21.71 ? 186 PRO H CA 1 ATOM 3115 C C . PRO A 1 192 ? 57.548 -14.431 107.803 1.00 24.92 ? 186 PRO H C 1 ATOM 3116 O O . PRO A 1 192 ? 56.449 -14.600 107.272 1.00 27.31 ? 186 PRO H O 1 ATOM 3117 C CB . PRO A 1 192 ? 59.453 -16.065 107.560 1.00 22.13 ? 186 PRO H CB 1 ATOM 3118 C CG . PRO A 1 192 ? 60.898 -15.889 107.295 1.00 20.57 ? 186 PRO H CG 1 ATOM 3119 C CD . PRO A 1 192 ? 61.197 -14.428 107.546 1.00 18.88 ? 186 PRO H CD 1 ATOM 3120 H HA . PRO A 1 192 ? 58.632 -14.864 106.096 1.00 26.06 ? 186 PRO H HA 1 ATOM 3121 H HB2 . PRO A 1 192 ? 59.282 -16.157 108.510 1.00 26.55 ? 186 PRO H HB2 1 ATOM 3122 H HB3 . PRO A 1 192 ? 59.099 -16.822 107.067 1.00 26.55 ? 186 PRO H HB3 1 ATOM 3123 H HG2 . PRO A 1 192 ? 61.409 -16.449 107.900 1.00 24.68 ? 186 PRO H HG2 1 ATOM 3124 H HG3 . PRO A 1 192 ? 61.089 -16.122 106.373 1.00 24.68 ? 186 PRO H HG3 1 ATOM 3125 H HD2 . PRO A 1 192 ? 61.437 -14.283 108.475 1.00 22.66 ? 186 PRO H HD2 1 ATOM 3126 H HD3 . PRO A 1 192 ? 61.889 -14.113 106.943 1.00 22.66 ? 186 PRO H HD3 1 ATOM 3127 N N . ASP A 1 193 A 57.682 -13.918 109.019 1.00 24.87 ? 186 ASP H N 1 ATOM 3128 C CA . ASP A 1 193 A 56.521 -13.612 109.848 1.00 28.03 ? 186 ASP H CA 1 ATOM 3129 C C . ASP A 1 193 A 55.785 -12.338 109.427 1.00 29.58 ? 186 ASP H C 1 ATOM 3130 O O . ASP A 1 193 A 54.705 -12.048 109.939 1.00 31.55 ? 186 ASP H O 1 ATOM 3131 C CB . ASP A 1 193 A 56.950 -13.508 111.310 1.00 29.03 ? 186 ASP H CB 1 ATOM 3132 H H . ASP A 1 193 A 58.436 -13.737 109.390 1.00 29.84 ? 186 ASP H H 1 ATOM 3133 H HA . ASP A 1 193 A 55.893 -14.348 109.779 1.00 33.63 ? 186 ASP H HA 1 ATOM 3134 N N . GLU A 1 194 B 56.355 -11.580 108.495 1.00 28.18 ? 186 GLU H N 1 ATOM 3135 C CA . GLU A 1 194 B 55.746 -10.326 108.067 1.00 27.48 ? 186 GLU H CA 1 ATOM 3136 C C . GLU A 1 194 B 54.739 -10.514 106.929 1.00 28.35 ? 186 GLU H C 1 ATOM 3137 O O . GLU A 1 194 B 54.030 -9.578 106.581 1.00 28.22 ? 186 GLU H O 1 ATOM 3138 C CB . GLU A 1 194 B 56.832 -9.305 107.703 1.00 27.04 ? 186 GLU H CB 1 ATOM 3139 C CG . GLU A 1 194 B 57.505 -8.732 108.952 1.00 26.34 ? 186 GLU H CG 1 ATOM 3140 C CD . GLU A 1 194 B 58.672 -7.802 108.664 1.00 26.10 ? 186 GLU H CD 1 ATOM 3141 O OE1 . GLU A 1 194 B 59.374 -7.993 107.656 1.00 20.55 ? 186 GLU H OE1 1 ATOM 3142 O OE2 . GLU A 1 194 B 58.903 -6.875 109.475 1.00 29.74 ? 186 GLU H OE2 1 ATOM 3143 H H . GLU A 1 194 B 57.093 -11.769 108.096 1.00 33.81 ? 186 GLU H H 1 ATOM 3144 H HA . GLU A 1 194 B 55.255 -9.960 108.820 1.00 32.98 ? 186 GLU H HA 1 ATOM 3145 H HB2 . GLU A 1 194 B 57.512 -9.739 107.164 1.00 32.45 ? 186 GLU H HB2 1 ATOM 3146 H HB3 . GLU A 1 194 B 56.431 -8.572 107.211 1.00 32.45 ? 186 GLU H HB3 1 ATOM 3147 H HG2 . GLU A 1 194 B 56.846 -8.230 109.458 1.00 31.61 ? 186 GLU H HG2 1 ATOM 3148 H HG3 . GLU A 1 194 B 57.840 -9.467 109.490 1.00 31.61 ? 186 GLU H HG3 1 ATOM 3149 N N . GLY A 1 195 C 54.670 -11.719 106.361 1.00 28.66 ? 186 GLY H N 1 ATOM 3150 C CA . GLY A 1 195 C 53.663 -12.031 105.352 1.00 28.31 ? 186 GLY H CA 1 ATOM 3151 C C . GLY A 1 195 C 53.955 -11.524 103.940 1.00 28.08 ? 186 GLY H C 1 ATOM 3152 O O . GLY A 1 195 C 53.954 -12.301 102.972 1.00 29.48 ? 186 GLY H O 1 ATOM 3153 H H . GLY A 1 195 C 55.197 -12.373 106.545 1.00 34.40 ? 186 GLY H H 1 ATOM 3154 H HA2 . GLY A 1 195 C 53.558 -12.994 105.304 1.00 33.97 ? 186 GLY H HA2 1 ATOM 3155 H HA3 . GLY A 1 195 C 52.815 -11.653 105.632 1.00 33.97 ? 186 GLY H HA3 1 ATOM 3156 N N . LYS A 1 196 D 54.195 -10.222 103.809 1.00 25.43 ? 186 LYS H N 1 ATOM 3157 C CA . LYS A 1 196 D 54.454 -9.618 102.509 1.00 22.43 ? 186 LYS H CA 1 ATOM 3158 C C . LYS A 1 196 D 55.735 -10.178 101.967 1.00 20.28 ? 186 LYS H C 1 ATOM 3159 O O . LYS A 1 196 D 56.552 -10.718 102.711 1.00 21.62 ? 186 LYS H O 1 ATOM 3160 C CB . LYS A 1 196 D 54.563 -8.104 102.628 1.00 23.73 ? 186 LYS H CB 1 ATOM 3161 C CG . LYS A 1 196 D 53.311 -7.501 103.203 1.00 26.55 ? 186 LYS H CG 1 ATOM 3162 C CD . LYS A 1 196 D 53.371 -6.006 103.156 1.00 28.52 ? 186 LYS H CD 1 ATOM 3163 C CE . LYS A 1 196 D 52.344 -5.396 104.081 1.00 30.17 ? 186 LYS H CE 1 ATOM 3164 N NZ . LYS A 1 196 D 52.374 -3.908 104.016 1.00 30.79 ? 186 LYS H NZ 1 ATOM 3165 H H . LYS A 1 196 D 54.214 -9.664 104.463 1.00 30.51 ? 186 LYS H H 1 ATOM 3166 H HA . LYS A 1 196 D 53.733 -9.833 101.896 1.00 26.92 ? 186 LYS H HA 1 ATOM 3167 H HB2 . LYS A 1 196 D 55.304 -7.882 103.213 1.00 28.48 ? 186 LYS H HB2 1 ATOM 3168 H HB3 . LYS A 1 196 D 54.706 -7.724 101.747 1.00 28.48 ? 186 LYS H HB3 1 ATOM 3169 H HG2 . LYS A 1 196 D 52.545 -7.794 102.685 1.00 31.86 ? 186 LYS H HG2 1 ATOM 3170 H HG3 . LYS A 1 196 D 53.218 -7.775 104.129 1.00 31.86 ? 186 LYS H HG3 1 ATOM 3171 H HD2 . LYS A 1 196 D 54.251 -5.710 103.437 1.00 34.23 ? 186 LYS H HD2 1 ATOM 3172 H HD3 . LYS A 1 196 D 53.186 -5.705 102.253 1.00 34.23 ? 186 LYS H HD3 1 ATOM 3173 H HE2 . LYS A 1 196 D 51.459 -5.695 103.820 1.00 36.20 ? 186 LYS H HE2 1 ATOM 3174 H HE3 . LYS A 1 196 D 52.535 -5.664 104.994 1.00 36.20 ? 186 LYS H HE3 1 ATOM 3175 H HZ1 . LYS A 1 196 D 52.198 -3.637 103.186 1.00 36.95 ? 186 LYS H HZ1 1 ATOM 3176 H HZ2 . LYS A 1 196 D 51.763 -3.567 104.567 1.00 36.95 ? 186 LYS H HZ2 1 ATOM 3177 H HZ3 . LYS A 1 196 D 53.177 -3.609 104.254 1.00 36.95 ? 186 LYS H HZ3 1 ATOM 3178 N N . ARG A 1 197 ? 55.918 -10.034 100.663 1.00 18.07 ? 187 ARG H N 1 ATOM 3179 C CA . ARG A 1 197 ? 57.042 -10.651 99.980 1.00 17.67 ? 187 ARG H CA 1 ATOM 3180 C C . ARG A 1 197 ? 57.685 -9.678 99.008 1.00 15.15 ? 187 ARG H C 1 ATOM 3181 O O . ARG A 1 197 ? 57.251 -8.534 98.878 1.00 15.06 ? 187 ARG H O 1 ATOM 3182 C CB . ARG A 1 197 ? 56.573 -11.912 99.215 1.00 20.70 ? 187 ARG H CB 1 ATOM 3183 C CG . ARG A 1 197 ? 55.724 -12.897 99.967 1.00 21.66 ? 187 ARG H CG 1 ATOM 3184 C CD . ARG A 1 197 ? 55.650 -14.163 99.163 1.00 20.14 ? 187 ARG H CD 1 ATOM 3185 N NE . ARG A 1 197 ? 56.959 -14.804 99.109 1.00 19.89 ? 187 ARG H NE 1 ATOM 3186 C CZ . ARG A 1 197 ? 57.450 -15.586 100.061 1.00 20.53 ? 187 ARG H CZ 1 ATOM 3187 N NH1 . ARG A 1 197 ? 56.741 -15.876 101.146 1.00 21.82 ? 187 ARG H NH1 1 ATOM 3188 N NH2 . ARG A 1 197 ? 58.666 -16.079 99.916 1.00 21.16 ? 187 ARG H NH2 1 ATOM 3189 H H . ARG A 1 197 ? 55.400 -9.581 100.147 1.00 21.69 ? 187 ARG H H 1 ATOM 3190 H HA . ARG A 1 197 ? 57.709 -10.918 100.632 1.00 21.20 ? 187 ARG H HA 1 ATOM 3191 H HB2 . ARG A 1 197 ? 56.060 -11.623 98.445 1.00 24.84 ? 187 ARG H HB2 1 ATOM 3192 H HB3 . ARG A 1 197 ? 57.361 -12.390 98.912 1.00 24.84 ? 187 ARG H HB3 1 ATOM 3193 H HG2 . ARG A 1 197 ? 56.128 -13.094 100.827 1.00 25.99 ? 187 ARG H HG2 1 ATOM 3194 H HG3 . ARG A 1 197 ? 54.827 -12.543 100.079 1.00 25.99 ? 187 ARG H HG3 1 ATOM 3195 H HD2 . ARG A 1 197 ? 55.024 -14.775 99.580 1.00 24.17 ? 187 ARG H HD2 1 ATOM 3196 H HD3 . ARG A 1 197 ? 55.371 -13.955 98.258 1.00 24.17 ? 187 ARG H HD3 1 ATOM 3197 H HE . ARG A 1 197 ? 57.444 -14.666 98.412 1.00 23.87 ? 187 ARG H HE 1 ATOM 3198 H HH11 . ARG A 1 197 ? 55.953 -15.546 101.246 1.00 26.18 ? 187 ARG H HH11 1 ATOM 3199 H HH12 . ARG A 1 197 ? 57.072 -16.389 101.752 1.00 26.18 ? 187 ARG H HH12 1 ATOM 3200 H HH21 . ARG A 1 197 ? 59.121 -15.899 99.209 1.00 25.39 ? 187 ARG H HH21 1 ATOM 3201 H HH22 . ARG A 1 197 ? 58.992 -16.601 100.516 1.00 25.39 ? 187 ARG H HH22 1 ATOM 3202 N N . GLY A 1 198 ? 58.706 -10.149 98.307 1.00 13.50 ? 188 GLY H N 1 ATOM 3203 C CA . GLY A 1 198 ? 59.336 -9.357 97.274 1.00 12.55 ? 188 GLY H CA 1 ATOM 3204 C C . GLY A 1 198 ? 60.850 -9.397 97.342 1.00 11.65 ? 188 GLY H C 1 ATOM 3205 O O . GLY A 1 198 ? 61.433 -9.437 98.421 1.00 11.47 ? 188 GLY H O 1 ATOM 3206 H H . GLY A 1 198 ? 59.052 -10.929 98.413 1.00 16.20 ? 188 GLY H H 1 ATOM 3207 H HA2 . GLY A 1 198 ? 59.061 -9.685 96.404 1.00 15.05 ? 188 GLY H HA2 1 ATOM 3208 H HA3 . GLY A 1 198 ? 59.051 -8.434 97.358 1.00 15.05 ? 188 GLY H HA3 1 ATOM 3209 N N . ASP A 1 199 ? 61.487 -9.331 96.177 1.00 11.28 ? 189 ASP H N 1 ATOM 3210 C CA . ASP A 1 199 ? 62.947 -9.338 96.094 1.00 10.78 ? 189 ASP H CA 1 ATOM 3211 C C . ASP A 1 199 ? 63.339 -8.950 94.691 1.00 10.95 ? 189 ASP H C 1 ATOM 3212 O O . ASP A 1 199 ? 62.533 -9.030 93.758 1.00 12.15 ? 189 ASP H O 1 ATOM 3213 C CB . ASP A 1 199 ? 63.464 -10.752 96.426 1.00 10.89 ? 189 ASP H CB 1 ATOM 3214 C CG . ASP A 1 199 ? 64.958 -10.831 96.729 1.00 10.92 ? 189 ASP H CG 1 ATOM 3215 O OD1 . ASP A 1 199 ? 65.650 -9.786 96.890 1.00 10.34 ? 189 ASP H OD1 1 ATOM 3216 O OD2 . ASP A 1 199 ? 65.434 -12.004 96.834 1.00 11.61 ? 189 ASP H OD2 1 ATOM 3217 H H . ASP A 1 199 ? 61.095 -9.281 95.414 1.00 13.53 ? 189 ASP H H 1 ATOM 3218 H HA . ASP A 1 199 ? 63.324 -8.701 96.721 1.00 12.93 ? 189 ASP H HA 1 ATOM 3219 H HB2 . ASP A 1 199 ? 62.988 -11.080 97.205 1.00 13.07 ? 189 ASP H HB2 1 ATOM 3220 H HB3 . ASP A 1 199 ? 63.287 -11.332 95.668 1.00 13.07 ? 189 ASP H HB3 1 ATOM 3221 N N . ALA A 1 200 ? 64.592 -8.549 94.546 1.00 10.27 ? 190 ALA H N 1 ATOM 3222 C CA . ALA A 1 200 ? 65.242 -8.524 93.247 1.00 10.64 ? 190 ALA H CA 1 ATOM 3223 C C . ALA A 1 200 ? 65.522 -9.968 92.795 1.00 11.60 ? 190 ALA H C 1 ATOM 3224 O O . ALA A 1 200 ? 65.519 -10.897 93.607 1.00 12.33 ? 190 ALA H O 1 ATOM 3225 C CB . ALA A 1 200 ? 66.526 -7.741 93.342 1.00 10.61 ? 190 ALA H CB 1 ATOM 3226 H H . ALA A 1 200 ? 65.094 -8.283 95.192 1.00 12.32 ? 190 ALA H H 1 ATOM 3227 H HA . ALA A 1 200 ? 64.662 -8.098 92.596 1.00 12.77 ? 190 ALA H HA 1 ATOM 3228 H HB1 . ALA A 1 200 ? 67.108 -8.167 93.991 1.00 12.73 ? 190 ALA H HB1 1 ATOM 3229 H HB2 . ALA A 1 200 ? 66.954 -7.729 92.471 1.00 12.73 ? 190 ALA H HB2 1 ATOM 3230 H HB3 . ALA A 1 200 ? 66.323 -6.835 93.624 1.00 12.73 ? 190 ALA H HB3 1 ATOM 3231 N N . CYS A 1 201 ? 65.809 -10.136 91.510 1.00 11.51 ? 191 CYS H N 1 ATOM 3232 C CA . CYS A 1 201 ? 66.132 -11.439 90.979 1.00 13.20 ? 191 CYS H CA 1 ATOM 3233 C C . CYS A 1 201 ? 67.102 -11.289 89.803 1.00 13.54 ? 191 CYS H C 1 ATOM 3234 O O . CYS A 1 201 ? 67.578 -10.187 89.508 1.00 13.22 ? 191 CYS H O 1 ATOM 3235 C CB . CYS A 1 201 ? 64.851 -12.222 90.645 1.00 14.09 ? 191 CYS H CB 1 ATOM 3236 S SG . CYS A 1 201 ? 65.044 -14.032 90.541 1.00 16.63 ? 191 CYS H SG 1 ATOM 3237 H H . CYS A 1 201 ? 65.820 -9.505 90.926 1.00 13.82 ? 191 CYS H H 1 ATOM 3238 H HA . CYS A 1 201 ? 66.598 -11.938 91.669 1.00 15.85 ? 191 CYS H HA 1 ATOM 3239 H HB2 . CYS A 1 201 ? 64.191 -12.039 91.333 1.00 16.91 ? 191 CYS H HB2 1 ATOM 3240 H HB3 . CYS A 1 201 ? 64.518 -11.915 89.787 1.00 16.91 ? 191 CYS H HB3 1 ATOM 3241 H HG . CYS A 1 201 ? 63.981 -14.523 90.277 1.00 19.96 ? 191 CYS H HG 1 ATOM 3242 N N A GLU A 1 202 ? 67.450 -12.392 89.142 0.49 14.73 ? 192 GLU H N 1 ATOM 3243 N N B GLU A 1 202 ? 67.386 -12.398 89.123 0.51 14.60 ? 192 GLU H N 1 ATOM 3244 C CA A GLU A 1 202 ? 68.451 -12.311 88.083 0.49 15.50 ? 192 GLU H CA 1 ATOM 3245 C CA B GLU A 1 202 ? 68.315 -12.404 87.996 0.51 14.82 ? 192 GLU H CA 1 ATOM 3246 C C A GLU A 1 202 ? 67.990 -11.369 86.980 0.49 13.73 ? 192 GLU H C 1 ATOM 3247 C C B GLU A 1 202 ? 67.945 -11.342 86.964 0.51 13.70 ? 192 GLU H C 1 ATOM 3248 O O A GLU A 1 202 ? 66.860 -11.438 86.498 0.49 14.26 ? 192 GLU H O 1 ATOM 3249 O O B GLU A 1 202 ? 66.806 -11.302 86.504 0.51 14.58 ? 192 GLU H O 1 ATOM 3250 C CB A GLU A 1 202 ? 68.806 -13.679 87.492 0.49 18.36 ? 192 GLU H CB 1 ATOM 3251 C CB B GLU A 1 202 ? 68.327 -13.783 87.322 0.51 16.14 ? 192 GLU H CB 1 ATOM 3252 C CG A GLU A 1 202 ? 69.470 -14.647 88.473 0.49 21.70 ? 192 GLU H CG 1 ATOM 3253 C CG B GLU A 1 202 ? 69.314 -13.894 86.165 0.51 19.80 ? 192 GLU H CG 1 ATOM 3254 C CD A GLU A 1 202 ? 70.895 -14.275 88.930 0.49 23.25 ? 192 GLU H CD 1 ATOM 3255 C CD B GLU A 1 202 ? 69.275 -15.249 85.470 0.51 24.66 ? 192 GLU H CD 1 ATOM 3256 O OE1 A GLU A 1 202 ? 71.546 -13.320 88.441 0.49 23.79 ? 192 GLU H OE1 1 ATOM 3257 O OE1 B GLU A 1 202 ? 68.916 -16.258 86.116 0.51 26.28 ? 192 GLU H OE1 1 ATOM 3258 O OE2 A GLU A 1 202 ? 71.377 -15.000 89.805 0.49 22.79 ? 192 GLU H OE2 1 ATOM 3259 O OE2 B GLU A 1 202 ? 69.591 -15.293 84.267 0.51 26.45 ? 192 GLU H OE2 1 ATOM 3260 H H A GLU A 1 202 ? 67.131 -13.178 89.283 0.49 17.68 ? 192 GLU H H 1 ATOM 3261 H H B GLU A 1 202 ? 67.048 -13.169 89.298 0.51 17.52 ? 192 GLU H H 1 ATOM 3262 H HA A GLU A 1 202 ? 69.264 -11.939 88.461 0.49 18.60 ? 192 GLU H HA 1 ATOM 3263 H HA B GLU A 1 202 ? 69.210 -12.216 88.319 0.51 17.79 ? 192 GLU H HA 1 ATOM 3264 H HB2 A GLU A 1 202 ? 67.992 -14.099 87.172 0.49 22.04 ? 192 GLU H HB2 1 ATOM 3265 H HB2 B GLU A 1 202 ? 68.568 -14.451 87.983 0.51 19.37 ? 192 GLU H HB2 1 ATOM 3266 H HB3 A GLU A 1 202 ? 69.418 -13.547 86.752 0.49 22.04 ? 192 GLU H HB3 1 ATOM 3267 H HB3 B GLU A 1 202 ? 67.440 -13.969 86.975 0.51 19.37 ? 192 GLU H HB3 1 ATOM 3268 H HG2 A GLU A 1 202 ? 68.917 -14.702 89.268 0.49 26.04 ? 192 GLU H HG2 1 ATOM 3269 H HG2 B GLU A 1 202 ? 69.103 -13.215 85.505 0.51 23.76 ? 192 GLU H HG2 1 ATOM 3270 H HG3 A GLU A 1 202 ? 69.519 -15.520 88.054 0.49 26.04 ? 192 GLU H HG3 1 ATOM 3271 H HG3 B GLU A 1 202 ? 70.212 -13.758 86.503 0.51 23.76 ? 192 GLU H HG3 1 ATOM 3272 N N . GLY A 1 203 ? 68.907 -10.492 86.599 1.00 13.02 ? 193 GLY H N 1 ATOM 3273 C CA . GLY A 1 203 ? 68.664 -9.418 85.659 1.00 12.64 ? 193 GLY H CA 1 ATOM 3274 C C . GLY A 1 203 ? 68.442 -8.070 86.313 1.00 11.91 ? 193 GLY H C 1 ATOM 3275 O O . GLY A 1 203 ? 68.528 -7.042 85.636 1.00 12.61 ? 193 GLY H O 1 ATOM 3276 H H . GLY A 1 203 ? 69.717 -10.511 86.888 1.00 15.63 ? 193 GLY H H 1 ATOM 3277 H HA2 . GLY A 1 203 ? 69.423 -9.341 85.059 1.00 15.16 ? 193 GLY H HA2 1 ATOM 3278 H HA3 . GLY A 1 203 ? 67.879 -9.630 85.129 1.00 15.16 ? 193 GLY H HA3 1 ATOM 3279 N N . ASP A 1 204 ? 68.137 -8.056 87.615 1.00 10.89 ? 194 ASP H N 1 ATOM 3280 C CA . ASP A 1 204 ? 67.960 -6.817 88.361 1.00 9.88 ? 194 ASP H CA 1 ATOM 3281 C C . ASP A 1 204 ? 69.253 -6.273 88.943 1.00 9.43 ? 194 ASP H C 1 ATOM 3282 O O . ASP A 1 204 ? 69.293 -5.118 89.358 1.00 9.60 ? 194 ASP H O 1 ATOM 3283 C CB . ASP A 1 204 ? 66.979 -7.020 89.504 1.00 10.23 ? 194 ASP H CB 1 ATOM 3284 C CG . ASP A 1 204 ? 65.564 -7.304 89.029 1.00 10.13 ? 194 ASP H CG 1 ATOM 3285 O OD1 . ASP A 1 204 ? 65.095 -6.647 88.063 1.00 10.97 ? 194 ASP H OD1 1 ATOM 3286 O OD2 . ASP A 1 204 ? 64.909 -8.167 89.665 1.00 11.17 ? 194 ASP H OD2 1 ATOM 3287 H H . ASP A 1 204 ? 68.027 -8.764 88.090 1.00 13.07 ? 194 ASP H H 1 ATOM 3288 H HA . ASP A 1 204 ? 67.593 -6.143 87.768 1.00 11.86 ? 194 ASP H HA 1 ATOM 3289 H HB2 . ASP A 1 204 ? 67.271 -7.774 90.040 1.00 12.27 ? 194 ASP H HB2 1 ATOM 3290 H HB3 . ASP A 1 204 ? 66.956 -6.217 90.047 1.00 12.27 ? 194 ASP H HB3 1 ATOM 3291 N N . SER A 1 205 ? 70.293 -7.102 89.002 1.00 10.02 ? 195 SER H N 1 ATOM 3292 C CA . SER A 1 205 ? 71.616 -6.670 89.485 1.00 10.48 ? 195 SER H CA 1 ATOM 3293 C C . SER A 1 205 ? 72.003 -5.348 88.892 1.00 8.98 ? 195 SER H C 1 ATOM 3294 O O . SER A 1 205 ? 71.791 -5.109 87.696 1.00 9.99 ? 195 SER H O 1 ATOM 3295 C CB . SER A 1 205 ? 72.696 -7.678 89.018 1.00 13.09 ? 195 SER H CB 1 ATOM 3296 O OG . SER A 1 205 ? 72.636 -8.894 89.717 1.00 15.50 ? 195 SER H OG 1 ATOM 3297 H H . SER A 1 205 ? 70.263 -7.929 88.769 1.00 12.02 ? 195 SER H H 1 ATOM 3298 H HA . SER A 1 205 ? 71.625 -6.608 90.453 1.00 12.58 ? 195 SER H HA 1 ATOM 3299 H HB2 . SER A 1 205 ? 72.567 -7.856 88.074 1.00 15.71 ? 195 SER H HB2 1 ATOM 3300 H HB3 . SER A 1 205 ? 73.571 -7.283 89.159 1.00 15.71 ? 195 SER H HB3 1 ATOM 3301 H HG . SER A 1 205 ? 73.234 -9.415 89.440 1.00 18.60 ? 195 SER H HG 1 ATOM 3302 N N . GLY A 1 206 ? 72.629 -4.511 89.702 1.00 8.56 ? 196 GLY H N 1 ATOM 3303 C CA . GLY A 1 206 ? 73.118 -3.240 89.245 1.00 8.66 ? 196 GLY H CA 1 ATOM 3304 C C . GLY A 1 206 ? 72.116 -2.105 89.297 1.00 8.51 ? 196 GLY H C 1 ATOM 3305 O O . GLY A 1 206 ? 72.524 -0.949 89.205 1.00 8.88 ? 196 GLY H O 1 ATOM 3306 H H . GLY A 1 206 ? 72.781 -4.666 90.534 1.00 10.27 ? 196 GLY H H 1 ATOM 3307 H HA2 . GLY A 1 206 ? 73.883 -2.986 89.785 1.00 10.39 ? 196 GLY H HA2 1 ATOM 3308 H HA3 . GLY A 1 206 ? 73.417 -3.331 88.327 1.00 10.39 ? 196 GLY H HA3 1 ATOM 3309 N N . GLY A 1 207 ? 70.838 -2.427 89.407 1.00 8.37 ? 197 GLY H N 1 ATOM 3310 C CA . GLY A 1 207 ? 69.824 -1.396 89.495 1.00 8.53 ? 197 GLY H CA 1 ATOM 3311 C C . GLY A 1 207 ? 69.752 -0.767 90.888 1.00 7.94 ? 197 GLY H C 1 ATOM 3312 O O . GLY A 1 207 ? 70.413 -1.194 91.836 1.00 8.18 ? 197 GLY H O 1 ATOM 3313 H H . GLY A 1 207 ? 70.534 -3.231 89.433 1.00 10.05 ? 197 GLY H H 1 ATOM 3314 H HA2 . GLY A 1 207 ? 70.019 -0.696 88.852 1.00 10.23 ? 197 GLY H HA2 1 ATOM 3315 H HA3 . GLY A 1 207 ? 68.957 -1.776 89.284 1.00 10.23 ? 197 GLY H HA3 1 ATOM 3316 N N . PRO A 1 208 ? 68.926 0.267 91.000 1.00 8.03 ? 198 PRO H N 1 ATOM 3317 C CA . PRO A 1 208 ? 68.943 1.094 92.208 1.00 8.06 ? 198 PRO H CA 1 ATOM 3318 C C . PRO A 1 208 ? 67.943 0.654 93.282 1.00 8.02 ? 198 PRO H C 1 ATOM 3319 O O . PRO A 1 208 ? 66.842 0.169 92.988 1.00 9.32 ? 198 PRO H O 1 ATOM 3320 C CB . PRO A 1 208 ? 68.553 2.458 91.650 1.00 8.95 ? 198 PRO H CB 1 ATOM 3321 C CG . PRO A 1 208 ? 67.577 2.111 90.527 1.00 9.61 ? 198 PRO H CG 1 ATOM 3322 C CD . PRO A 1 208 ? 68.152 0.886 89.903 1.00 9.39 ? 198 PRO H CD 1 ATOM 3323 H HA . PRO A 1 208 ? 69.835 1.136 92.585 1.00 9.67 ? 198 PRO H HA 1 ATOM 3324 H HB2 . PRO A 1 208 ? 68.119 2.987 92.338 1.00 10.74 ? 198 PRO H HB2 1 ATOM 3325 H HB3 . PRO A 1 208 ? 69.337 2.912 91.303 1.00 10.74 ? 198 PRO H HB3 1 ATOM 3326 H HG2 . PRO A 1 208 ? 66.699 1.930 90.898 1.00 11.53 ? 198 PRO H HG2 1 ATOM 3327 H HG3 . PRO A 1 208 ? 67.539 2.839 89.887 1.00 11.53 ? 198 PRO H HG3 1 ATOM 3328 H HD2 . PRO A 1 208 ? 67.444 0.291 89.612 1.00 11.27 ? 198 PRO H HD2 1 ATOM 3329 H HD3 . PRO A 1 208 ? 68.739 1.125 89.168 1.00 11.27 ? 198 PRO H HD3 1 ATOM 3330 N N . PHE A 1 209 ? 68.359 0.872 94.536 1.00 7.58 ? 199 PHE H N 1 ATOM 3331 C CA . PHE A 1 209 ? 67.503 0.887 95.726 1.00 7.30 ? 199 PHE H CA 1 ATOM 3332 C C . PHE A 1 209 ? 67.428 2.350 96.147 1.00 6.99 ? 199 PHE H C 1 ATOM 3333 O O . PHE A 1 209 ? 68.444 2.931 96.539 1.00 7.46 ? 199 PHE H O 1 ATOM 3334 C CB . PHE A 1 209 ? 68.125 0.011 96.817 1.00 7.57 ? 199 PHE H CB 1 ATOM 3335 C CG . PHE A 1 209 ? 67.361 -0.053 98.123 1.00 8.03 ? 199 PHE H CG 1 ATOM 3336 C CD1 . PHE A 1 209 ? 67.431 0.985 99.048 1.00 8.48 ? 199 PHE H CD1 1 ATOM 3337 C CD2 . PHE A 1 209 ? 66.647 -1.177 98.460 1.00 9.79 ? 199 PHE H CD2 1 ATOM 3338 C CE1 . PHE A 1 209 ? 66.765 0.909 100.241 1.00 9.89 ? 199 PHE H CE1 1 ATOM 3339 C CE2 . PHE A 1 209 ? 65.967 -1.245 99.658 1.00 10.78 ? 199 PHE H CE2 1 ATOM 3340 C CZ . PHE A 1 209 ? 66.027 -0.207 100.548 1.00 10.82 ? 199 PHE H CZ 1 ATOM 3341 H H . PHE A 1 209 ? 69.184 1.022 94.729 1.00 9.09 ? 199 PHE H H 1 ATOM 3342 H HA . PHE A 1 209 ? 66.614 0.563 95.513 1.00 8.76 ? 199 PHE H HA 1 ATOM 3343 H HB2 . PHE A 1 209 ? 68.195 -0.896 96.478 1.00 9.09 ? 199 PHE H HB2 1 ATOM 3344 H HB3 . PHE A 1 209 ? 69.011 0.351 97.016 1.00 9.09 ? 199 PHE H HB3 1 ATOM 3345 H HD1 . PHE A 1 209 ? 67.923 1.748 98.846 1.00 10.18 ? 199 PHE H HD1 1 ATOM 3346 H HD2 . PHE A 1 209 ? 66.593 -1.885 97.860 1.00 11.75 ? 199 PHE H HD2 1 ATOM 3347 H HE1 . PHE A 1 209 ? 66.805 1.618 100.841 1.00 11.87 ? 199 PHE H HE1 1 ATOM 3348 H HE2 . PHE A 1 209 ? 65.473 -2.005 99.867 1.00 12.93 ? 199 PHE H HE2 1 ATOM 3349 H HZ . PHE A 1 209 ? 65.573 -0.259 101.358 1.00 12.99 ? 199 PHE H HZ 1 ATOM 3350 N N . VAL A 1 210 ? 66.246 2.937 96.001 1.00 6.81 ? 200 VAL H N 1 ATOM 3351 C CA . VAL A 1 210 ? 66.055 4.350 96.229 1.00 6.72 ? 200 VAL H CA 1 ATOM 3352 C C . VAL A 1 210 ? 65.118 4.617 97.395 1.00 6.94 ? 200 VAL H C 1 ATOM 3353 O O . VAL A 1 210 ? 64.277 3.792 97.746 1.00 7.81 ? 200 VAL H O 1 ATOM 3354 C CB . VAL A 1 210 ? 65.536 5.101 94.960 1.00 7.27 ? 200 VAL H CB 1 ATOM 3355 C CG1 . VAL A 1 210 ? 66.502 4.926 93.804 1.00 8.06 ? 200 VAL H CG1 1 ATOM 3356 C CG2 . VAL A 1 210 ? 64.139 4.663 94.580 1.00 7.78 ? 200 VAL H CG2 1 ATOM 3357 H H . VAL A 1 210 ? 65.529 2.525 95.766 1.00 8.18 ? 200 VAL H H 1 ATOM 3358 H HA . VAL A 1 210 ? 66.914 4.736 96.459 1.00 8.07 ? 200 VAL H HA 1 ATOM 3359 H HB . VAL A 1 210 ? 65.496 6.049 95.162 1.00 8.72 ? 200 VAL H HB 1 ATOM 3360 H HG11 . VAL A 1 210 ? 66.585 3.980 93.603 1.00 9.67 ? 200 VAL H HG11 1 ATOM 3361 H HG12 . VAL A 1 210 ? 66.158 5.400 93.031 1.00 9.67 ? 200 VAL H HG12 1 ATOM 3362 H HG13 . VAL A 1 210 ? 67.365 5.288 94.058 1.00 9.67 ? 200 VAL H HG13 1 ATOM 3363 H HG21 . VAL A 1 210 ? 63.538 4.852 95.317 1.00 9.33 ? 200 VAL H HG21 1 ATOM 3364 H HG22 . VAL A 1 210 ? 63.860 5.153 93.791 1.00 9.33 ? 200 VAL H HG22 1 ATOM 3365 H HG23 . VAL A 1 210 ? 64.147 3.711 94.393 1.00 9.33 ? 200 VAL H HG23 1 ATOM 3366 N N . MET A 1 211 ? 65.280 5.784 98.006 1.00 6.97 ? 201 MET H N 1 ATOM 3367 C CA . MET A 1 211 ? 64.440 6.245 99.101 1.00 6.91 ? 201 MET H CA 1 ATOM 3368 C C . MET A 1 211 ? 64.053 7.689 98.817 1.00 7.18 ? 201 MET H C 1 ATOM 3369 O O . MET A 1 211 ? 64.869 8.449 98.291 1.00 8.21 ? 201 MET H O 1 ATOM 3370 C CB . MET A 1 211 ? 65.173 6.134 100.441 1.00 7.78 ? 201 MET H CB 1 ATOM 3371 C CG . MET A 1 211 ? 65.655 4.687 100.711 1.00 8.62 ? 201 MET H CG 1 ATOM 3372 S SD . MET A 1 211 ? 66.465 4.453 102.291 1.00 9.71 ? 201 MET H SD 1 ATOM 3373 C CE . MET A 1 211 ? 65.036 4.315 103.369 1.00 11.07 ? 201 MET H CE 1 ATOM 3374 H H . MET A 1 211 ? 65.896 6.346 97.795 1.00 8.36 ? 201 MET H H 1 ATOM 3375 H HA . MET A 1 211 ? 63.639 5.699 99.144 1.00 8.30 ? 201 MET H HA 1 ATOM 3376 H HB2 . MET A 1 211 ? 65.949 6.715 100.429 1.00 9.33 ? 201 MET H HB2 1 ATOM 3377 H HB3 . MET A 1 211 ? 64.571 6.392 101.156 1.00 9.33 ? 201 MET H HB3 1 ATOM 3378 H HG2 . MET A 1 211 ? 64.888 4.095 100.683 1.00 10.35 ? 201 MET H HG2 1 ATOM 3379 H HG3 . MET A 1 211 ? 66.286 4.437 100.018 1.00 10.35 ? 201 MET H HG3 1 ATOM 3380 H HE1 . MET A 1 211 ? 64.498 3.559 103.085 1.00 13.29 ? 201 MET H HE1 1 ATOM 3381 H HE2 . MET A 1 211 ? 65.340 4.181 104.281 1.00 13.29 ? 201 MET H HE2 1 ATOM 3382 H HE3 . MET A 1 211 ? 64.516 5.132 103.310 1.00 13.29 ? 201 MET H HE3 1 ATOM 3383 N N . LYS A 1 212 ? 62.828 8.077 99.158 1.00 7.19 ? 202 LYS H N 1 ATOM 3384 C CA . LYS A 1 212 ? 62.388 9.457 98.960 1.00 7.58 ? 202 LYS H CA 1 ATOM 3385 C C . LYS A 1 212 ? 62.553 10.212 100.271 1.00 7.35 ? 202 LYS H C 1 ATOM 3386 O O . LYS A 1 212 ? 61.880 9.905 101.254 1.00 8.44 ? 202 LYS H O 1 ATOM 3387 C CB . LYS A 1 212 ? 60.947 9.524 98.470 1.00 7.90 ? 202 LYS H CB 1 ATOM 3388 C CG . LYS A 1 212 ? 60.524 10.960 98.154 1.00 8.48 ? 202 LYS H CG 1 ATOM 3389 C CD . LYS A 1 212 ? 59.176 11.073 97.473 1.00 8.41 ? 202 LYS H CD 1 ATOM 3390 C CE . LYS A 1 212 ? 58.732 12.532 97.348 1.00 9.04 ? 202 LYS H CE 1 ATOM 3391 N NZ . LYS A 1 212 ? 57.596 12.674 96.419 1.00 9.23 ? 202 LYS H NZ 1 ATOM 3392 H H . LYS A 1 212 ? 62.232 7.563 99.505 1.00 8.63 ? 202 LYS H H 1 ATOM 3393 H HA . LYS A 1 212 ? 62.954 9.879 98.294 1.00 9.09 ? 202 LYS H HA 1 ATOM 3394 H HB2 . LYS A 1 212 ? 60.859 8.997 97.660 1.00 9.48 ? 202 LYS H HB2 1 ATOM 3395 H HB3 . LYS A 1 212 ? 60.358 9.179 99.159 1.00 9.48 ? 202 LYS H HB3 1 ATOM 3396 H HG2 . LYS A 1 212 ? 60.479 11.461 98.984 1.00 10.17 ? 202 LYS H HG2 1 ATOM 3397 H HG3 . LYS A 1 212 ? 61.186 11.357 97.567 1.00 10.17 ? 202 LYS H HG3 1 ATOM 3398 H HD2 . LYS A 1 212 ? 59.234 10.696 96.581 1.00 10.09 ? 202 LYS H HD2 1 ATOM 3399 H HD3 . LYS A 1 212 ? 58.512 10.597 97.996 1.00 10.09 ? 202 LYS H HD3 1 ATOM 3400 H HE2 . LYS A 1 212 ? 58.455 12.858 98.218 1.00 10.84 ? 202 LYS H HE2 1 ATOM 3401 H HE3 . LYS A 1 212 ? 59.469 13.063 97.009 1.00 10.84 ? 202 LYS H HE3 1 ATOM 3402 H HZ1 . LYS A 1 212 ? 56.903 12.197 96.711 1.00 11.08 ? 202 LYS H HZ1 1 ATOM 3403 H HZ2 . LYS A 1 212 ? 57.355 13.529 96.362 1.00 11.08 ? 202 LYS H HZ2 1 ATOM 3404 H HZ3 . LYS A 1 212 ? 57.827 12.384 95.610 1.00 11.08 ? 202 LYS H HZ3 1 ATOM 3405 N N . SER A 1 213 ? 63.467 11.163 100.291 1.00 7.94 ? 203 SER H N 1 ATOM 3406 C CA . SER A 1 213 ? 63.699 11.892 101.537 1.00 8.92 ? 203 SER H CA 1 ATOM 3407 C C . SER A 1 213 ? 62.439 12.628 101.976 1.00 8.52 ? 203 SER H C 1 ATOM 3408 O O . SER A 1 213 ? 61.886 13.406 101.195 1.00 9.23 ? 203 SER H O 1 ATOM 3409 C CB . SER A 1 213 ? 64.820 12.897 101.370 1.00 9.85 ? 203 SER H CB 1 ATOM 3410 O OG . SER A 1 213 ? 64.844 13.712 102.525 1.00 11.25 ? 203 SER H OG 1 ATOM 3411 H H . SER A 1 213 ? 63.954 11.405 99.625 1.00 9.53 ? 203 SER H H 1 ATOM 3412 H HA . SER A 1 213 ? 63.948 11.267 102.236 1.00 10.70 ? 203 SER H HA 1 ATOM 3413 H HB2 . SER A 1 213 ? 65.666 12.430 101.284 1.00 11.82 ? 203 SER H HB2 1 ATOM 3414 H HB3 . SER A 1 213 ? 64.651 13.446 100.588 1.00 11.82 ? 203 SER H HB3 1 ATOM 3415 H HG . SER A 1 213 ? 65.458 14.282 102.461 1.00 13.50 ? 203 SER H HG 1 ATOM 3416 N N . PRO A 1 214 ? 62.017 12.455 103.231 1.00 8.56 ? 204 PRO H N 1 ATOM 3417 C CA . PRO A 1 214 ? 60.860 13.212 103.724 1.00 9.69 ? 204 PRO H CA 1 ATOM 3418 C C . PRO A 1 214 ? 61.216 14.657 104.087 1.00 9.07 ? 204 PRO H C 1 ATOM 3419 O O . PRO A 1 214 ? 60.329 15.454 104.391 1.00 10.18 ? 204 PRO H O 1 ATOM 3420 C CB . PRO A 1 214 ? 60.437 12.400 104.943 1.00 10.69 ? 204 PRO H CB 1 ATOM 3421 C CG . PRO A 1 214 ? 61.723 11.853 105.474 1.00 10.59 ? 204 PRO H CG 1 ATOM 3422 C CD . PRO A 1 214 ? 62.529 11.507 104.234 1.00 9.69 ? 204 PRO H CD 1 ATOM 3423 H HA . PRO A 1 214 ? 60.146 13.208 103.068 1.00 11.62 ? 204 PRO H HA 1 ATOM 3424 H HB2 . PRO A 1 214 ? 60.011 12.979 105.595 1.00 12.82 ? 204 PRO H HB2 1 ATOM 3425 H HB3 . PRO A 1 214 ? 59.841 11.684 104.672 1.00 12.82 ? 204 PRO H HB3 1 ATOM 3426 H HG2 . PRO A 1 214 ? 62.175 12.530 106.002 1.00 12.71 ? 204 PRO H HG2 1 ATOM 3427 H HG3 . PRO A 1 214 ? 61.549 11.060 106.005 1.00 12.71 ? 204 PRO H HG3 1 ATOM 3428 H HD2 . PRO A 1 214 ? 63.474 11.657 104.391 1.00 11.63 ? 204 PRO H HD2 1 ATOM 3429 H HD3 . PRO A 1 214 ? 62.352 10.594 103.958 1.00 11.63 ? 204 PRO H HD3 1 ATOM 3430 N N . PHE A 1 215 A 62.505 14.978 104.070 1.00 9.18 ? 204 PHE H N 1 ATOM 3431 C CA . PHE A 1 215 A 63.000 16.306 104.410 1.00 9.99 ? 204 PHE H CA 1 ATOM 3432 C C . PHE A 1 215 A 62.938 17.254 103.227 1.00 10.24 ? 204 PHE H C 1 ATOM 3433 O O . PHE A 1 215 A 62.521 18.402 103.376 1.00 10.17 ? 204 PHE H O 1 ATOM 3434 C CB . PHE A 1 215 A 64.432 16.206 104.945 1.00 10.96 ? 204 PHE H CB 1 ATOM 3435 C CG . PHE A 1 215 A 64.555 15.295 106.117 1.00 11.56 ? 204 PHE H CG 1 ATOM 3436 C CD1 . PHE A 1 215 A 64.138 15.681 107.371 1.00 13.01 ? 204 PHE H CD1 1 ATOM 3437 C CD2 . PHE A 1 215 A 65.027 14.006 105.954 1.00 13.47 ? 204 PHE H CD2 1 ATOM 3438 C CE1 . PHE A 1 215 A 64.224 14.817 108.438 1.00 14.89 ? 204 PHE H CE1 1 ATOM 3439 C CE2 . PHE A 1 215 A 65.118 13.146 107.021 1.00 15.05 ? 204 PHE H CE2 1 ATOM 3440 C CZ . PHE A 1 215 A 64.696 13.551 108.245 1.00 15.28 ? 204 PHE H CZ 1 ATOM 3441 H H . PHE A 1 215 A 63.130 14.426 103.858 1.00 11.02 ? 204 PHE H H 1 ATOM 3442 H HA . PHE A 1 215 A 62.445 16.675 105.115 1.00 11.99 ? 204 PHE H HA 1 ATOM 3443 H HB2 . PHE A 1 215 A 65.008 15.869 104.242 1.00 13.16 ? 204 PHE H HB2 1 ATOM 3444 H HB3 . PHE A 1 215 A 64.727 17.088 105.220 1.00 13.16 ? 204 PHE H HB3 1 ATOM 3445 H HD1 . PHE A 1 215 A 63.803 16.539 107.500 1.00 15.61 ? 204 PHE H HD1 1 ATOM 3446 H HD2 . PHE A 1 215 A 65.303 13.722 105.112 1.00 16.16 ? 204 PHE H HD2 1 ATOM 3447 H HE1 . PHE A 1 215 A 63.948 15.089 109.283 1.00 17.87 ? 204 PHE H HE1 1 ATOM 3448 H HE2 . PHE A 1 215 A 65.443 12.283 106.900 1.00 18.06 ? 204 PHE H HE2 1 ATOM 3449 H HZ . PHE A 1 215 A 64.767 12.972 108.970 1.00 18.33 ? 204 PHE H HZ 1 ATOM 3450 N N . ASN A 1 216 B 63.321 16.765 102.036 1.00 11.08 ? 204 ASN H N 1 ATOM 3451 C CA . ASN A 1 216 B 63.367 17.606 100.848 1.00 11.07 ? 204 ASN H CA 1 ATOM 3452 C C . ASN A 1 216 B 62.643 17.064 99.629 1.00 10.99 ? 204 ASN H C 1 ATOM 3453 O O . ASN A 1 216 B 62.731 17.659 98.563 1.00 11.87 ? 204 ASN H O 1 ATOM 3454 C CB . ASN A 1 216 B 64.806 17.987 100.481 1.00 11.25 ? 204 ASN H CB 1 ATOM 3455 C CG . ASN A 1 216 B 65.624 16.800 99.994 1.00 10.85 ? 204 ASN H CG 1 ATOM 3456 O OD1 . ASN A 1 216 B 65.123 15.689 99.892 1.00 11.11 ? 204 ASN H OD1 1 ATOM 3457 N ND2 . ASN A 1 216 B 66.878 17.036 99.689 1.00 12.71 ? 204 ASN H ND2 1 ATOM 3458 H H . ASN A 1 216 B 63.556 15.950 101.898 1.00 13.30 ? 204 ASN H H 1 ATOM 3459 H HA . ASN A 1 216 B 62.920 18.437 101.075 1.00 13.28 ? 204 ASN H HA 1 ATOM 3460 H HB2 . ASN A 1 216 B 64.786 18.649 99.772 1.00 13.50 ? 204 ASN H HB2 1 ATOM 3461 H HB3 . ASN A 1 216 B 65.245 18.353 101.264 1.00 13.50 ? 204 ASN H HB3 1 ATOM 3462 H HD21 . ASN A 1 216 B 67.197 17.831 99.768 1.00 15.25 ? 204 ASN H HD21 1 ATOM 3463 H HD22 . ASN A 1 216 B 67.380 16.397 99.409 1.00 15.25 ? 204 ASN H HD22 1 ATOM 3464 N N A ASN A 1 217 ? 61.866 15.986 99.712 0.36 10.51 ? 205 ASN H N 1 ATOM 3465 N N B ASN A 1 217 ? 61.991 15.922 99.836 0.64 11.69 ? 205 ASN H N 1 ATOM 3466 C CA A ASN A 1 217 ? 61.035 15.573 98.549 0.36 10.41 ? 205 ASN H CA 1 ATOM 3467 C CA B ASN A 1 217 ? 61.138 15.293 98.851 0.64 12.37 ? 205 ASN H CA 1 ATOM 3468 C C A ASN A 1 217 ? 61.821 14.851 97.436 0.36 9.92 ? 205 ASN H C 1 ATOM 3469 C C B ASN A 1 217 ? 61.845 15.022 97.530 0.64 11.24 ? 205 ASN H C 1 ATOM 3470 O O A ASN A 1 217 ? 61.247 14.462 96.417 0.36 9.26 ? 205 ASN H O 1 ATOM 3471 O O B ASN A 1 217 ? 61.241 15.155 96.479 0.64 11.88 ? 205 ASN H O 1 ATOM 3472 C CB A ASN A 1 217 ? 60.278 16.806 97.939 0.36 12.18 ? 205 ASN H CB 1 ATOM 3473 C CB B ASN A 1 217 ? 59.865 16.134 98.656 0.64 16.19 ? 205 ASN H CB 1 ATOM 3474 C CG A ASN A 1 217 ? 59.122 16.448 97.033 0.36 13.21 ? 205 ASN H CG 1 ATOM 3475 C CG B ASN A 1 217 ? 59.006 16.146 99.889 0.64 21.07 ? 205 ASN H CG 1 ATOM 3476 O OD1 A ASN A 1 217 ? 58.965 17.034 95.911 0.36 12.59 ? 205 ASN H OD1 1 ATOM 3477 O OD1 B ASN A 1 217 ? 58.531 15.114 100.318 0.64 24.21 ? 205 ASN H OD1 1 ATOM 3478 N ND2 A ASN A 1 217 ? 58.268 15.549 97.514 0.36 13.09 ? 205 ASN H ND2 1 ATOM 3479 N ND2 B ASN A 1 217 ? 58.773 17.330 100.451 0.64 25.40 ? 205 ASN H ND2 1 ATOM 3480 H H A ASN A 1 217 ? 61.794 15.481 100.404 0.36 12.61 ? 205 ASN H H 1 ATOM 3481 H H B ASN A 1 217 ? 62.034 15.481 100.574 0.64 14.03 ? 205 ASN H H 1 ATOM 3482 H HA A ASN A 1 217 ? 60.360 14.953 98.868 0.36 12.50 ? 205 ASN H HA 1 ATOM 3483 H HA B ASN A 1 217 ? 60.859 14.434 99.203 0.64 14.84 ? 205 ASN H HA 1 ATOM 3484 H HB2 A ASN A 1 217 ? 59.926 17.344 98.665 0.36 14.61 ? 205 ASN H HB2 1 ATOM 3485 H HB2 B ASN A 1 217 ? 60.115 17.049 98.452 0.64 19.43 ? 205 ASN H HB2 1 ATOM 3486 H HB3 A ASN A 1 217 ? 60.907 17.330 97.419 0.36 14.61 ? 205 ASN H HB3 1 ATOM 3487 H HB3 B ASN A 1 217 ? 59.344 15.759 97.928 0.64 19.43 ? 205 ASN H HB3 1 ATOM 3488 H HD21 A ASN A 1 217 ? 58.394 15.211 98.295 0.36 15.71 ? 205 ASN H HD21 1 ATOM 3489 H HD21 B ASN A 1 217 ? 59.108 18.043 100.107 0.64 30.49 ? 205 ASN H HD21 1 ATOM 3490 H HD22 A ASN A 1 217 ? 57.590 15.305 97.044 0.36 15.71 ? 205 ASN H HD22 1 ATOM 3491 H HD22 B ASN A 1 217 ? 58.287 17.382 101.159 0.64 30.49 ? 205 ASN H HD22 1 ATOM 3492 N N . ARG A 1 218 ? 63.120 14.639 97.624 1.00 10.07 ? 206 ARG H N 1 ATOM 3493 C CA . ARG A 1 218 ? 63.948 14.139 96.526 1.00 9.17 ? 206 ARG H CA 1 ATOM 3494 C C . ARG A 1 218 ? 64.256 12.674 96.710 1.00 8.12 ? 206 ARG H C 1 ATOM 3495 O O . ARG A 1 218 ? 64.414 12.179 97.843 1.00 8.18 ? 206 ARG H O 1 ATOM 3496 C CB . ARG A 1 218 ? 65.291 14.892 96.450 1.00 10.67 ? 206 ARG H CB 1 ATOM 3497 C CG . ARG A 1 218 ? 65.173 16.340 96.077 1.00 12.99 ? 206 ARG H CG 1 ATOM 3498 C CD . ARG A 1 218 ? 66.522 16.996 96.039 1.00 14.74 ? 206 ARG H CD 1 ATOM 3499 N NE . ARG A 1 218 ? 66.383 18.415 95.833 1.00 16.74 ? 206 ARG H NE 1 ATOM 3500 C CZ . ARG A 1 218 ? 66.716 19.072 94.746 1.00 15.67 ? 206 ARG H CZ 1 ATOM 3501 N NH1 . ARG A 1 218 ? 67.202 18.451 93.696 1.00 14.04 ? 206 ARG H NH1 1 ATOM 3502 N NH2 . ARG A 1 218 ? 66.555 20.390 94.725 1.00 18.43 ? 206 ARG H NH2 1 ATOM 3503 H H . ARG A 1 218 ? 63.541 14.772 98.362 1.00 12.09 ? 206 ARG H H 1 ATOM 3504 H HA . ARG A 1 218 ? 63.479 14.254 95.684 1.00 11.01 ? 206 ARG H HA 1 ATOM 3505 H HB2 . ARG A 1 218 ? 65.722 14.846 97.318 1.00 12.81 ? 206 ARG H HB2 1 ATOM 3506 H HB3 . ARG A 1 218 ? 65.851 14.462 95.785 1.00 12.81 ? 206 ARG H HB3 1 ATOM 3507 H HG2 . ARG A 1 218 ? 64.772 16.414 95.197 1.00 15.59 ? 206 ARG H HG2 1 ATOM 3508 H HG3 . ARG A 1 218 ? 64.629 16.799 96.736 1.00 15.59 ? 206 ARG H HG3 1 ATOM 3509 H HD2 . ARG A 1 218 ? 66.977 16.851 96.883 1.00 17.69 ? 206 ARG H HD2 1 ATOM 3510 H HD3 . ARG A 1 218 ? 67.041 16.628 95.306 1.00 17.69 ? 206 ARG H HD3 1 ATOM 3511 H HE . ARG A 1 218 ? 66.051 18.874 96.481 1.00 20.09 ? 206 ARG H HE 1 ATOM 3512 H HH11 . ARG A 1 218 ? 67.314 17.598 93.714 1.00 16.84 ? 206 ARG H HH11 1 ATOM 3513 H HH12 . ARG A 1 218 ? 67.411 18.897 92.991 1.00 16.84 ? 206 ARG H HH12 1 ATOM 3514 H HH21 . ARG A 1 218 ? 66.230 20.795 95.411 1.00 22.11 ? 206 ARG H HH21 1 ATOM 3515 H HH22 . ARG A 1 218 ? 66.755 20.836 94.017 1.00 22.11 ? 206 ARG H HH22 1 ATOM 3516 N N . TRP A 1 219 ? 64.386 11.986 95.591 1.00 7.42 ? 207 TRP H N 1 ATOM 3517 C CA . TRP A 1 219 ? 64.818 10.594 95.587 1.00 7.17 ? 207 TRP H CA 1 ATOM 3518 C C . TRP A 1 219 ? 66.335 10.459 95.593 1.00 7.24 ? 207 TRP H C 1 ATOM 3519 O O . TRP A 1 219 ? 67.049 11.103 94.824 1.00 8.10 ? 207 TRP H O 1 ATOM 3520 C CB . TRP A 1 219 ? 64.244 9.872 94.361 1.00 7.56 ? 207 TRP H CB 1 ATOM 3521 C CG . TRP A 1 219 ? 62.777 9.752 94.374 1.00 7.35 ? 207 TRP H CG 1 ATOM 3522 C CD1 . TRP A 1 219 ? 61.880 10.682 93.918 1.00 8.07 ? 207 TRP H CD1 1 ATOM 3523 C CD2 . TRP A 1 219 ? 61.999 8.676 94.899 1.00 7.13 ? 207 TRP H CD2 1 ATOM 3524 N NE1 . TRP A 1 219 ? 60.595 10.228 94.106 1.00 8.02 ? 207 TRP H NE1 1 ATOM 3525 C CE2 . TRP A 1 219 ? 60.644 8.995 94.705 1.00 7.59 ? 207 TRP H CE2 1 ATOM 3526 C CE3 . TRP A 1 219 ? 62.320 7.460 95.514 1.00 7.69 ? 207 TRP H CE3 1 ATOM 3527 C CZ2 . TRP A 1 219 ? 59.617 8.140 95.094 1.00 8.29 ? 207 TRP H CZ2 1 ATOM 3528 C CZ3 . TRP A 1 219 ? 61.300 6.630 95.911 1.00 8.38 ? 207 TRP H CZ3 1 ATOM 3529 C CH2 . TRP A 1 219 ? 59.970 6.954 95.685 1.00 8.35 ? 207 TRP H CH2 1 ATOM 3530 H H . TRP A 1 219 ? 64.230 12.304 94.808 1.00 8.91 ? 207 TRP H H 1 ATOM 3531 H HA . TRP A 1 219 ? 64.476 10.155 96.381 1.00 8.60 ? 207 TRP H HA 1 ATOM 3532 H HB2 . TRP A 1 219 ? 64.494 10.363 93.563 1.00 9.07 ? 207 TRP H HB2 1 ATOM 3533 H HB3 . TRP A 1 219 ? 64.614 8.976 94.325 1.00 9.07 ? 207 TRP H HB3 1 ATOM 3534 H HD1 . TRP A 1 219 ? 62.106 11.490 93.517 1.00 9.68 ? 207 TRP H HD1 1 ATOM 3535 H HE1 . TRP A 1 219 ? 59.879 10.644 93.877 1.00 9.62 ? 207 TRP H HE1 1 ATOM 3536 H HE3 . TRP A 1 219 ? 63.208 7.218 95.651 1.00 9.22 ? 207 TRP H HE3 1 ATOM 3537 H HZ2 . TRP A 1 219 ? 58.724 8.369 94.967 1.00 9.95 ? 207 TRP H HZ2 1 ATOM 3538 H HZ3 . TRP A 1 219 ? 61.507 5.812 96.303 1.00 10.06 ? 207 TRP H HZ3 1 ATOM 3539 H HH2 . TRP A 1 219 ? 59.303 6.370 95.969 1.00 10.02 ? 207 TRP H HH2 1 ATOM 3540 N N . TYR A 1 220 ? 66.796 9.597 96.497 1.00 6.96 ? 208 TYR H N 1 ATOM 3541 C CA . TYR A 1 220 ? 68.194 9.282 96.701 1.00 7.29 ? 208 TYR H CA 1 ATOM 3542 C C . TYR A 1 220 ? 68.452 7.807 96.455 1.00 7.31 ? 208 TYR H C 1 ATOM 3543 O O . TYR A 1 220 ? 67.690 6.949 96.918 1.00 8.07 ? 208 TYR H O 1 ATOM 3544 C CB . TYR A 1 220 ? 68.596 9.601 98.162 1.00 7.77 ? 208 TYR H CB 1 ATOM 3545 C CG . TYR A 1 220 ? 68.712 11.076 98.433 1.00 7.81 ? 208 TYR H CG 1 ATOM 3546 C CD1 . TYR A 1 220 ? 67.609 11.837 98.833 1.00 8.02 ? 208 TYR H CD1 1 ATOM 3547 C CD2 . TYR A 1 220 ? 69.910 11.732 98.221 1.00 9.29 ? 208 TYR H CD2 1 ATOM 3548 C CE1 . TYR A 1 220 ? 67.736 13.211 99.068 1.00 9.08 ? 208 TYR H CE1 1 ATOM 3549 C CE2 . TYR A 1 220 ? 70.047 13.075 98.465 1.00 10.12 ? 208 TYR H CE2 1 ATOM 3550 C CZ . TYR A 1 220 ? 68.948 13.813 98.871 1.00 10.20 ? 208 TYR H CZ 1 ATOM 3551 O OH . TYR A 1 220 ? 69.047 15.162 99.115 1.00 12.39 ? 208 TYR H OH 1 ATOM 3552 H H . TYR A 1 220 ? 66.280 9.162 97.030 1.00 8.36 ? 208 TYR H H 1 ATOM 3553 H HA . TYR A 1 220 ? 68.745 9.806 96.099 1.00 8.75 ? 208 TYR H HA 1 ATOM 3554 H HB2 . TYR A 1 220 ? 67.924 9.239 98.760 1.00 9.32 ? 208 TYR H HB2 1 ATOM 3555 H HB3 . TYR A 1 220 ? 69.457 9.195 98.347 1.00 9.32 ? 208 TYR H HB3 1 ATOM 3556 H HD1 . TYR A 1 220 ? 70.654 11.241 97.953 1.00 11.15 ? 208 TYR H HD1 1 ATOM 3557 H HD2 . TYR A 1 220 ? 66.788 11.422 98.970 1.00 9.62 ? 208 TYR H HD2 1 ATOM 3558 H HE1 . TYR A 1 220 ? 70.866 13.493 98.328 1.00 12.15 ? 208 TYR H HE1 1 ATOM 3559 H HE2 . TYR A 1 220 ? 67.004 13.710 99.350 1.00 10.90 ? 208 TYR H HE2 1 ATOM 3560 H HH . TYR A 1 220 ? 69.835 15.421 98.981 1.00 14.87 ? 208 TYR H HH 1 ATOM 3561 N N . GLN A 1 221 ? 69.579 7.501 95.824 1.00 7.39 ? 209 GLN H N 1 ATOM 3562 C CA . GLN A 1 221 ? 69.983 6.115 95.643 1.00 7.43 ? 209 GLN H CA 1 ATOM 3563 C C . GLN A 1 221 ? 70.880 5.675 96.796 1.00 7.49 ? 209 GLN H C 1 ATOM 3564 O O . GLN A 1 221 ? 72.048 6.043 96.878 1.00 8.36 ? 209 GLN H O 1 ATOM 3565 C CB . GLN A 1 221 ? 70.692 5.894 94.315 1.00 7.90 ? 209 GLN H CB 1 ATOM 3566 C CG . GLN A 1 221 ? 71.006 4.430 94.129 1.00 7.67 ? 209 GLN H CG 1 ATOM 3567 C CD . GLN A 1 221 ? 71.520 4.089 92.776 1.00 7.98 ? 209 GLN H CD 1 ATOM 3568 O OE1 . GLN A 1 221 ? 71.505 4.910 91.858 1.00 9.39 ? 209 GLN H OE1 1 ATOM 3569 N NE2 . GLN A 1 221 ? 71.970 2.847 92.625 1.00 8.06 ? 209 GLN H NE2 1 ATOM 3570 H H . GLN A 1 221 ? 70.126 8.076 95.492 1.00 8.87 ? 209 GLN H H 1 ATOM 3571 H HA . GLN A 1 221 ? 69.191 5.555 95.654 1.00 8.92 ? 209 GLN H HA 1 ATOM 3572 H HB2 . GLN A 1 221 ? 70.116 6.179 93.588 1.00 9.48 ? 209 GLN H HB2 1 ATOM 3573 H HB3 . GLN A 1 221 ? 71.524 6.391 94.305 1.00 9.48 ? 209 GLN H HB3 1 ATOM 3574 H HG2 . GLN A 1 221 ? 71.682 4.172 94.776 1.00 9.21 ? 209 GLN H HG2 1 ATOM 3575 H HG3 . GLN A 1 221 ? 70.197 3.916 94.277 1.00 9.21 ? 209 GLN H HG3 1 ATOM 3576 H HE21 . GLN A 1 221 ? 71.952 2.300 93.288 1.00 9.67 ? 209 GLN H HE21 1 ATOM 3577 H HE22 . GLN A 1 221 ? 72.280 2.591 91.865 1.00 9.67 ? 209 GLN H HE22 1 ATOM 3578 N N . MET A 1 222 ? 70.310 4.872 97.676 1.00 6.66 ? 210 MET H N 1 ATOM 3579 C CA A MET A 1 222 ? 71.004 4.360 98.843 0.68 7.19 ? 210 MET H CA 1 ATOM 3580 C CA B MET A 1 222 ? 71.032 4.379 98.834 0.32 6.61 ? 210 MET H CA 1 ATOM 3581 C C . MET A 1 222 ? 71.744 3.064 98.571 1.00 7.17 ? 210 MET H C 1 ATOM 3582 O O . MET A 1 222 ? 72.731 2.766 99.246 1.00 7.92 ? 210 MET H O 1 ATOM 3583 C CB A MET A 1 222 ? 70.014 4.132 99.994 0.68 9.04 ? 210 MET H CB 1 ATOM 3584 C CB B MET A 1 222 ? 70.088 4.209 100.025 0.32 6.60 ? 210 MET H CB 1 ATOM 3585 C CG A MET A 1 222 ? 68.968 5.206 100.197 0.68 12.71 ? 210 MET H CG 1 ATOM 3586 C CG B MET A 1 222 ? 69.372 5.480 100.452 0.32 7.93 ? 210 MET H CG 1 ATOM 3587 S SD A MET A 1 222 ? 69.576 6.843 100.292 0.68 13.07 ? 210 MET H SD 1 ATOM 3588 S SD B MET A 1 222 ? 70.330 6.980 100.559 0.32 9.14 ? 210 MET H SD 1 ATOM 3589 C CE A MET A 1 222 ? 70.828 6.643 101.616 0.68 12.49 ? 210 MET H CE 1 ATOM 3590 C CE B MET A 1 222 ? 69.174 7.870 101.540 0.32 8.47 ? 210 MET H CE 1 ATOM 3591 H H A MET A 1 222 ? 69.495 4.602 97.616 0.68 7.99 ? 210 MET H H 1 ATOM 3592 H H B MET A 1 222 ? 69.497 4.596 97.625 0.32 7.99 ? 210 MET H H 1 ATOM 3593 H HA A MET A 1 222 ? 71.645 5.026 99.137 0.68 8.63 ? 210 MET H HA 1 ATOM 3594 H HA B MET A 1 222 ? 71.696 5.041 99.083 0.32 7.94 ? 210 MET H HA 1 ATOM 3595 H HB2 A MET A 1 222 ? 69.545 3.299 99.831 0.68 10.85 ? 210 MET H HB2 1 ATOM 3596 H HB2 B MET A 1 222 ? 69.411 3.555 99.792 0.32 7.92 ? 210 MET H HB2 1 ATOM 3597 H HB3 A MET A 1 222 ? 70.519 4.060 100.820 0.68 10.85 ? 210 MET H HB3 1 ATOM 3598 H HB3 B MET A 1 222 ? 70.601 3.892 100.784 0.32 7.92 ? 210 MET H HB3 1 ATOM 3599 H HG2 A MET A 1 222 ? 68.344 5.170 99.455 0.68 15.25 ? 210 MET H HG2 1 ATOM 3600 H HG2 B MET A 1 222 ? 68.657 5.647 99.818 0.32 9.51 ? 210 MET H HG2 1 ATOM 3601 H HG3 A MET A 1 222 ? 68.497 5.023 101.025 0.68 15.25 ? 210 MET H HG3 1 ATOM 3602 H HG3 B MET A 1 222 ? 68.989 5.327 101.329 0.32 9.51 ? 210 MET H HG3 1 ATOM 3603 H HE1 A MET A 1 222 ? 71.488 5.992 101.331 0.68 14.99 ? 210 MET H HE1 1 ATOM 3604 H HE1 B MET A 1 222 ? 69.037 7.395 102.375 0.32 10.17 ? 210 MET H HE1 1 ATOM 3605 H HE2 A MET A 1 222 ? 71.256 7.499 101.777 0.68 14.99 ? 210 MET H HE2 1 ATOM 3606 H HE2 B MET A 1 222 ? 69.527 8.756 101.717 0.32 10.17 ? 210 MET H HE2 1 ATOM 3607 H HE3 A MET A 1 222 ? 70.387 6.337 102.424 0.68 14.99 ? 210 MET H HE3 1 ATOM 3608 H HE3 B MET A 1 222 ? 68.336 7.938 101.056 0.32 10.17 ? 210 MET H HE3 1 ATOM 3609 N N . GLY A 1 223 ? 71.244 2.268 97.620 1.00 7.18 ? 211 GLY H N 1 ATOM 3610 C CA . GLY A 1 223 ? 71.822 0.963 97.371 1.00 7.06 ? 211 GLY H CA 1 ATOM 3611 C C . GLY A 1 223 ? 71.884 0.619 95.899 1.00 6.98 ? 211 GLY H C 1 ATOM 3612 O O . GLY A 1 223 ? 71.233 1.251 95.068 1.00 7.22 ? 211 GLY H O 1 ATOM 3613 H H . GLY A 1 223 ? 70.576 2.466 97.115 1.00 8.61 ? 211 GLY H H 1 ATOM 3614 H HA2 . GLY A 1 223 ? 72.723 0.937 97.729 1.00 8.47 ? 211 GLY H HA2 1 ATOM 3615 H HA3 . GLY A 1 223 ? 71.293 0.286 97.821 1.00 8.47 ? 211 GLY H HA3 1 ATOM 3616 N N . ILE A 1 224 ? 72.655 -0.420 95.607 1.00 7.06 ? 212 ILE H N 1 ATOM 3617 C CA . ILE A 1 224 ? 72.726 -1.047 94.298 1.00 7.52 ? 212 ILE H CA 1 ATOM 3618 C C . ILE A 1 224 ? 72.413 -2.524 94.481 1.00 7.53 ? 212 ILE H C 1 ATOM 3619 O O . ILE A 1 224 ? 72.974 -3.159 95.383 1.00 7.65 ? 212 ILE H O 1 ATOM 3620 C CB . ILE A 1 224 ? 74.131 -0.904 93.681 1.00 7.97 ? 212 ILE H CB 1 ATOM 3621 C CG1 . ILE A 1 224 ? 74.559 0.562 93.565 1.00 8.75 ? 212 ILE H CG1 1 ATOM 3622 C CG2 . ILE A 1 224 ? 74.185 -1.602 92.319 1.00 8.79 ? 212 ILE H CG2 1 ATOM 3623 C CD1 . ILE A 1 224 ? 76.039 0.761 93.290 1.00 9.56 ? 212 ILE H CD1 1 ATOM 3624 H H . ILE A 1 224 ? 73.172 -0.795 96.182 1.00 8.47 ? 212 ILE H H 1 ATOM 3625 H HA . ILE A 1 224 ? 72.072 -0.652 93.700 1.00 9.02 ? 212 ILE H HA 1 ATOM 3626 H HB . ILE A 1 224 ? 74.760 -1.351 94.269 1.00 9.56 ? 212 ILE H HB 1 ATOM 3627 H HG12 . ILE A 1 224 ? 74.066 0.972 92.838 1.00 10.50 ? 212 ILE H HG12 1 ATOM 3628 H HG13 . ILE A 1 224 ? 74.350 1.013 94.398 1.00 10.50 ? 212 ILE H HG13 1 ATOM 3629 H HG21 . ILE A 1 224 ? 73.532 -1.194 91.730 1.00 10.54 ? 212 ILE H HG21 1 ATOM 3630 H HG22 . ILE A 1 224 ? 75.075 -1.502 91.948 1.00 10.54 ? 212 ILE H HG22 1 ATOM 3631 H HG23 . ILE A 1 224 ? 73.980 -2.543 92.439 1.00 10.54 ? 212 ILE H HG23 1 ATOM 3632 H HD11 . ILE A 1 224 ? 76.265 0.328 92.452 1.00 11.47 ? 212 ILE H HD11 1 ATOM 3633 H HD12 . ILE A 1 224 ? 76.223 1.712 93.231 1.00 11.47 ? 212 ILE H HD12 1 ATOM 3634 H HD13 . ILE A 1 224 ? 76.550 0.369 94.015 1.00 11.47 ? 212 ILE H HD13 1 ATOM 3635 N N . VAL A 1 225 ? 71.519 -3.084 93.669 1.00 7.62 ? 213 VAL H N 1 ATOM 3636 C CA . VAL A 1 225 ? 71.249 -4.518 93.750 1.00 7.79 ? 213 VAL H CA 1 ATOM 3637 C C . VAL A 1 225 ? 72.542 -5.299 93.550 1.00 7.78 ? 213 VAL H C 1 ATOM 3638 O O . VAL A 1 225 ? 73.154 -5.227 92.487 1.00 8.49 ? 213 VAL H O 1 ATOM 3639 C CB . VAL A 1 225 ? 70.210 -4.944 92.673 1.00 8.71 ? 213 VAL H CB 1 ATOM 3640 C CG1 . VAL A 1 225 ? 69.977 -6.443 92.743 1.00 9.30 ? 213 VAL H CG1 1 ATOM 3641 C CG2 . VAL A 1 225 ? 68.868 -4.220 92.838 1.00 9.17 ? 213 VAL H CG2 1 ATOM 3642 H H . VAL A 1 225 ? 71.062 -2.665 93.073 1.00 9.14 ? 213 VAL H H 1 ATOM 3643 H HA . VAL A 1 225 ? 70.891 -4.732 94.626 1.00 9.35 ? 213 VAL H HA 1 ATOM 3644 H HB . VAL A 1 225 ? 70.560 -4.734 91.793 1.00 10.45 ? 213 VAL H HB 1 ATOM 3645 H HG11 . VAL A 1 225 ? 69.641 -6.669 93.625 1.00 11.16 ? 213 VAL H HG11 1 ATOM 3646 H HG12 . VAL A 1 225 ? 69.328 -6.694 92.067 1.00 11.16 ? 213 VAL H HG12 1 ATOM 3647 H HG13 . VAL A 1 225 ? 70.817 -6.901 92.582 1.00 11.16 ? 213 VAL H HG13 1 ATOM 3648 H HG21 . VAL A 1 225 ? 69.014 -3.264 92.759 1.00 11.01 ? 213 VAL H HG21 1 ATOM 3649 H HG22 . VAL A 1 225 ? 68.260 -4.521 92.144 1.00 11.01 ? 213 VAL H HG22 1 ATOM 3650 H HG23 . VAL A 1 225 ? 68.503 -4.429 93.712 1.00 11.01 ? 213 VAL H HG23 1 ATOM 3651 N N . SER A 1 226 ? 72.959 -6.048 94.568 1.00 7.59 ? 214 SER H N 1 ATOM 3652 C CA . SER A 1 226 ? 74.265 -6.691 94.549 1.00 8.05 ? 214 SER H CA 1 ATOM 3653 C C . SER A 1 226 ? 74.196 -8.219 94.513 1.00 8.47 ? 214 SER H C 1 ATOM 3654 O O . SER A 1 226 ? 74.714 -8.826 93.585 1.00 9.81 ? 214 SER H O 1 ATOM 3655 C CB . SER A 1 226 ? 75.110 -6.186 95.722 1.00 8.35 ? 214 SER H CB 1 ATOM 3656 O OG . SER A 1 226 ? 76.388 -6.808 95.741 1.00 8.93 ? 214 SER H OG 1 ATOM 3657 H H . SER A 1 226 ? 72.503 -6.199 95.281 1.00 9.11 ? 214 SER H H 1 ATOM 3658 H HA . SER A 1 226 ? 74.719 -6.414 93.738 1.00 9.66 ? 214 SER H HA 1 ATOM 3659 H HB2 . SER A 1 226 ? 75.229 -5.227 95.635 1.00 10.02 ? 214 SER H HB2 1 ATOM 3660 H HB3 . SER A 1 226 ? 74.650 -6.388 96.551 1.00 10.02 ? 214 SER H HB3 1 ATOM 3661 H HG . SER A 1 226 ? 76.800 -6.641 95.028 1.00 10.72 ? 214 SER H HG 1 ATOM 3662 N N . TRP A 1 227 ? 73.595 -8.861 95.515 1.00 8.55 ? 215 TRP H N 1 ATOM 3663 C CA . TRP A 1 227 ? 73.605 -10.318 95.557 1.00 9.21 ? 215 TRP H CA 1 ATOM 3664 C C . TRP A 1 227 ? 72.489 -10.857 96.422 1.00 9.38 ? 215 TRP H C 1 ATOM 3665 O O . TRP A 1 227 ? 71.836 -10.122 97.167 1.00 9.59 ? 215 TRP H O 1 ATOM 3666 C CB . TRP A 1 227 ? 74.995 -10.848 95.980 1.00 10.40 ? 215 TRP H CB 1 ATOM 3667 C CG . TRP A 1 227 ? 75.416 -10.530 97.387 1.00 10.14 ? 215 TRP H CG 1 ATOM 3668 C CD1 . TRP A 1 227 ? 76.070 -9.422 97.803 1.00 10.50 ? 215 TRP H CD1 1 ATOM 3669 C CD2 . TRP A 1 227 ? 75.229 -11.353 98.541 1.00 11.31 ? 215 TRP H CD2 1 ATOM 3670 N NE1 . TRP A 1 227 ? 76.314 -9.495 99.163 1.00 11.21 ? 215 TRP H NE1 1 ATOM 3671 C CE2 . TRP A 1 227 ? 75.799 -10.676 99.633 1.00 12.06 ? 215 TRP H CE2 1 ATOM 3672 C CE3 . TRP A 1 227 ? 74.655 -12.623 98.755 1.00 13.31 ? 215 TRP H CE3 1 ATOM 3673 C CZ2 . TRP A 1 227 ? 75.812 -11.218 100.930 1.00 14.08 ? 215 TRP H CZ2 1 ATOM 3674 C CZ3 . TRP A 1 227 ? 74.678 -13.153 100.035 1.00 15.92 ? 215 TRP H CZ3 1 ATOM 3675 C CH2 . TRP A 1 227 ? 75.233 -12.450 101.099 1.00 15.28 ? 215 TRP H CH2 1 ATOM 3676 H H . TRP A 1 227 ? 73.183 -8.483 96.169 1.00 10.26 ? 215 TRP H H 1 ATOM 3677 H HA . TRP A 1 227 ? 73.443 -10.642 94.657 1.00 11.05 ? 215 TRP H HA 1 ATOM 3678 H HB2 . TRP A 1 227 ? 74.995 -11.814 95.890 1.00 12.47 ? 215 TRP H HB2 1 ATOM 3679 H HB3 . TRP A 1 227 ? 75.661 -10.469 95.386 1.00 12.47 ? 215 TRP H HB3 1 ATOM 3680 H HD1 . TRP A 1 227 ? 76.311 -8.709 97.256 1.00 12.60 ? 215 TRP H HD1 1 ATOM 3681 H HE1 . TRP A 1 227 ? 76.705 -8.893 99.637 1.00 13.45 ? 215 TRP H HE1 1 ATOM 3682 H HE3 . TRP A 1 227 ? 74.283 -13.100 98.049 1.00 15.97 ? 215 TRP H HE3 1 ATOM 3683 H HZ2 . TRP A 1 227 ? 76.187 -10.756 101.645 1.00 16.90 ? 215 TRP H HZ2 1 ATOM 3684 H HZ3 . TRP A 1 227 ? 74.283 -13.981 100.192 1.00 19.10 ? 215 TRP H HZ3 1 ATOM 3685 H HH2 . TRP A 1 227 ? 75.217 -12.829 101.949 1.00 18.34 ? 215 TRP H HH2 1 ATOM 3686 N N . GLY A 1 228 ? 72.273 -12.159 96.304 1.00 10.32 ? 216 GLY H N 1 ATOM 3687 C CA . GLY A 1 228 ? 71.307 -12.855 97.110 1.00 10.93 ? 216 GLY H CA 1 ATOM 3688 C C . GLY A 1 228 ? 71.483 -14.349 96.875 1.00 12.36 ? 216 GLY H C 1 ATOM 3689 O O . GLY A 1 228 ? 72.267 -14.767 96.041 1.00 16.77 ? 216 GLY H O 1 ATOM 3690 H H . GLY A 1 228 ? 72.688 -12.667 95.748 1.00 12.39 ? 216 GLY H H 1 ATOM 3691 H HA2 . GLY A 1 228 ? 71.448 -12.659 98.050 1.00 13.12 ? 216 GLY H HA2 1 ATOM 3692 H HA3 . GLY A 1 228 ? 70.407 -12.594 96.859 1.00 13.12 ? 216 GLY H HA3 1 ATOM 3693 N N . GLU A 1 229 ? 70.717 -15.136 97.605 1.00 11.74 ? 217 GLU H N 1 ATOM 3694 C CA . GLU A 1 229 ? 70.735 -16.586 97.501 1.00 13.05 ? 217 GLU H CA 1 ATOM 3695 C C . GLU A 1 229 ? 69.333 -16.981 97.088 1.00 13.52 ? 217 GLU H C 1 ATOM 3696 O O . GLU A 1 229 ? 68.400 -16.955 97.890 1.00 15.66 ? 217 GLU H O 1 ATOM 3697 C CB . GLU A 1 229 ? 71.161 -17.193 98.829 1.00 14.83 ? 217 GLU H CB 1 ATOM 3698 C CG . GLU A 1 229 ? 72.637 -16.925 99.106 1.00 16.10 ? 217 GLU H CG 1 ATOM 3699 C CD . GLU A 1 229 ? 73.099 -17.379 100.463 1.00 17.94 ? 217 GLU H CD 1 ATOM 3700 O OE1 . GLU A 1 229 ? 72.760 -16.694 101.428 1.00 17.01 ? 217 GLU H OE1 1 ATOM 3701 O OE2 . GLU A 1 229 ? 73.785 -18.433 100.585 1.00 21.25 ? 217 GLU H OE2 1 ATOM 3702 H H . GLU A 1 229 ? 70.158 -14.844 98.190 1.00 14.09 ? 217 GLU H H 1 ATOM 3703 H HA . GLU A 1 229 ? 71.358 -16.863 96.811 1.00 15.66 ? 217 GLU H HA 1 ATOM 3704 H HB2 . GLU A 1 229 ? 70.639 -16.797 99.545 1.00 17.80 ? 217 GLU H HB2 1 ATOM 3705 H HB3 . GLU A 1 229 ? 71.024 -18.153 98.802 1.00 17.80 ? 217 GLU H HB3 1 ATOM 3706 H HG2 . GLU A 1 229 ? 73.168 -17.391 98.442 1.00 19.32 ? 217 GLU H HG2 1 ATOM 3707 H HG3 . GLU A 1 229 ? 72.797 -15.970 99.044 1.00 19.32 ? 217 GLU H HG3 1 ATOM 3708 N N . GLY A 1 230 ? 69.183 -17.347 95.827 1.00 14.26 ? 219 GLY H N 1 ATOM 3709 C CA . GLY A 1 230 ? 67.863 -17.514 95.238 1.00 14.43 ? 219 GLY H CA 1 ATOM 3710 C C . GLY A 1 230 ? 67.191 -16.162 95.030 1.00 14.57 ? 219 GLY H C 1 ATOM 3711 O O . GLY A 1 230 ? 67.865 -15.116 94.987 1.00 15.55 ? 219 GLY H O 1 ATOM 3712 H H . GLY A 1 230 ? 69.832 -17.506 95.286 1.00 17.11 ? 219 GLY H H 1 ATOM 3713 H HA2 . GLY A 1 230 ? 67.939 -17.961 94.381 1.00 17.31 ? 219 GLY H HA2 1 ATOM 3714 H HA3 . GLY A 1 230 ? 67.308 -18.052 95.824 1.00 17.31 ? 219 GLY H HA3 1 ATOM 3715 N N . CYS A 1 231 ? 65.873 -16.183 94.945 1.00 13.15 ? 220 CYS H N 1 ATOM 3716 C CA . CYS A 1 231 ? 65.080 -14.958 94.913 1.00 13.59 ? 220 CYS H CA 1 ATOM 3717 C C . CYS A 1 231 ? 63.816 -15.152 95.699 1.00 13.62 ? 220 CYS H C 1 ATOM 3718 O O . CYS A 1 231 ? 63.111 -16.143 95.498 1.00 14.95 ? 220 CYS H O 1 ATOM 3719 C CB . CYS A 1 231 ? 64.688 -14.553 93.489 1.00 15.53 ? 220 CYS H CB 1 ATOM 3720 S SG . CYS A 1 231 ? 66.007 -14.546 92.301 1.00 16.42 ? 220 CYS H SG 1 ATOM 3721 H H . CYS A 1 231 ? 65.403 -16.902 94.904 1.00 15.78 ? 220 CYS H H 1 ATOM 3722 H HA . CYS A 1 231 ? 65.586 -14.233 95.313 1.00 16.30 ? 220 CYS H HA 1 ATOM 3723 H HB2 . CYS A 1 231 ? 64.013 -15.171 93.169 1.00 18.63 ? 220 CYS H HB2 1 ATOM 3724 H HB3 . CYS A 1 231 ? 64.318 -13.656 93.517 1.00 18.63 ? 220 CYS H HB3 1 ATOM 3725 N N . ASP A 1 232 ? 63.528 -14.192 96.580 1.00 12.60 ? 221 ASP H N 1 ATOM 3726 C CA . ASP A 1 232 ? 62.314 -14.172 97.376 1.00 13.59 ? 221 ASP H CA 1 ATOM 3727 C C . ASP A 1 232 ? 62.137 -15.436 98.225 1.00 14.12 ? 221 ASP H C 1 ATOM 3728 O O . ASP A 1 232 ? 61.020 -15.853 98.498 1.00 16.05 ? 221 ASP H O 1 ATOM 3729 C CB . ASP A 1 232 ? 61.071 -13.940 96.515 1.00 14.49 ? 221 ASP H CB 1 ATOM 3730 C CG . ASP A 1 232 ? 59.859 -13.529 97.337 1.00 14.85 ? 221 ASP H CG 1 ATOM 3731 O OD1 . ASP A 1 232 ? 60.013 -12.697 98.242 1.00 15.15 ? 221 ASP H OD1 1 ATOM 3732 O OD2 . ASP A 1 232 ? 58.742 -14.029 97.058 1.00 16.98 ? 221 ASP H OD2 1 ATOM 3733 H H . ASP A 1 232 ? 64.043 -13.520 96.734 1.00 15.13 ? 221 ASP H H 1 ATOM 3734 H HA . ASP A 1 232 ? 62.375 -13.425 97.992 1.00 16.30 ? 221 ASP H HA 1 ATOM 3735 H HB2 . ASP A 1 232 ? 61.256 -13.232 95.877 1.00 17.39 ? 221 ASP H HB2 1 ATOM 3736 H HB3 . ASP A 1 232 ? 60.852 -14.761 96.046 1.00 17.39 ? 221 ASP H HB3 1 ATOM 3737 N N . ARG A 1 233 A 63.229 -16.029 98.704 1.00 14.05 ? 221 ARG H N 1 ATOM 3738 C CA . ARG A 1 233 A 63.107 -17.173 99.597 1.00 14.87 ? 221 ARG H CA 1 ATOM 3739 C C . ARG A 1 233 A 62.781 -16.704 101.005 1.00 14.48 ? 221 ARG H C 1 ATOM 3740 O O . ARG A 1 233 A 63.321 -15.694 101.496 1.00 13.94 ? 221 ARG H O 1 ATOM 3741 C CB . ARG A 1 233 A 64.405 -17.983 99.652 1.00 15.85 ? 221 ARG H CB 1 ATOM 3742 C CG . ARG A 1 233 A 64.747 -18.663 98.354 1.00 17.02 ? 221 ARG H CG 1 ATOM 3743 C CD . ARG A 1 233 A 65.959 -19.523 98.530 1.00 18.35 ? 221 ARG H CD 1 ATOM 3744 N NE . ARG A 1 233 A 66.426 -20.076 97.267 1.00 19.55 ? 221 ARG H NE 1 ATOM 3745 C CZ . ARG A 1 233 A 67.608 -20.656 97.124 1.00 22.10 ? 221 ARG H CZ 1 ATOM 3746 N NH1 . ARG A 1 233 A 68.410 -20.825 98.174 1.00 24.19 ? 221 ARG H NH1 1 ATOM 3747 N NH2 . ARG A 1 233 A 67.974 -21.084 95.936 1.00 23.85 ? 221 ARG H NH2 1 ATOM 3748 H H . ARG A 1 233 A 64.037 -15.793 98.530 1.00 16.86 ? 221 ARG H H 1 ATOM 3749 H HA . ARG A 1 233 A 62.393 -17.753 99.290 1.00 17.84 ? 221 ARG H HA 1 ATOM 3750 H HB2 . ARG A 1 233 A 65.137 -17.387 99.876 1.00 19.02 ? 221 ARG H HB2 1 ATOM 3751 H HB3 . ARG A 1 233 A 64.319 -18.668 100.333 1.00 19.02 ? 221 ARG H HB3 1 ATOM 3752 H HG2 . ARG A 1 233 A 64.006 -19.226 98.077 1.00 20.42 ? 221 ARG H HG2 1 ATOM 3753 H HG3 . ARG A 1 233 A 64.938 -17.995 97.677 1.00 20.42 ? 221 ARG H HG3 1 ATOM 3754 H HD2 . ARG A 1 233 A 66.674 -18.991 98.910 1.00 22.02 ? 221 ARG H HD2 1 ATOM 3755 H HD3 . ARG A 1 233 A 65.742 -20.262 99.120 1.00 22.02 ? 221 ARG H HD3 1 ATOM 3756 H HE . ARG A 1 233 A 65.983 -19.884 96.555 1.00 23.46 ? 221 ARG H HE 1 ATOM 3757 H HH11 . ARG A 1 233 A 68.174 -20.532 98.947 1.00 29.03 ? 221 ARG H HH11 1 ATOM 3758 H HH12 . ARG A 1 233 A 69.172 -21.211 98.075 1.00 29.03 ? 221 ARG H HH12 1 ATOM 3759 H HH21 . ARG A 1 233 A 67.447 -20.988 95.264 1.00 28.62 ? 221 ARG H HH21 1 ATOM 3760 H HH22 . ARG A 1 233 A 68.727 -21.487 95.838 1.00 28.62 ? 221 ARG H HH22 1 ATOM 3761 N N . ASP A 1 234 ? 61.955 -17.467 101.712 1.00 15.36 ? 222 ASP H N 1 ATOM 3762 C CA . ASP A 1 234 ? 61.714 -17.177 103.124 1.00 15.78 ? 222 ASP H CA 1 ATOM 3763 C C . ASP A 1 234 ? 63.007 -17.264 103.921 1.00 15.46 ? 222 ASP H C 1 ATOM 3764 O O . ASP A 1 234 ? 63.763 -18.239 103.803 1.00 16.11 ? 222 ASP H O 1 ATOM 3765 C CB . ASP A 1 234 ? 60.713 -18.173 103.727 1.00 18.18 ? 222 ASP H CB 1 ATOM 3766 C CG . ASP A 1 234 ? 59.336 -18.072 103.123 1.00 22.11 ? 222 ASP H CG 1 ATOM 3767 O OD1 . ASP A 1 234 ? 58.954 -16.977 102.660 1.00 21.72 ? 222 ASP H OD1 1 ATOM 3768 O OD2 . ASP A 1 234 ? 58.627 -19.111 103.150 1.00 25.79 ? 222 ASP H OD2 1 ATOM 3769 H H . ASP A 1 234 ? 61.527 -18.148 101.406 1.00 18.43 ? 222 ASP H H 1 ATOM 3770 H HA . ASP A 1 234 ? 61.353 -16.281 103.216 1.00 18.93 ? 222 ASP H HA 1 ATOM 3771 H HB2 . ASP A 1 234 ? 61.039 -19.075 103.579 1.00 21.82 ? 222 ASP H HB2 1 ATOM 3772 H HB3 . ASP A 1 234 ? 60.635 -18.003 104.679 1.00 21.82 ? 222 ASP H HB3 1 ATOM 3773 N N . GLY A 1 235 ? 63.255 -16.243 104.732 1.00 14.82 ? 223 GLY H N 1 ATOM 3774 C CA . GLY A 1 235 ? 64.425 -16.215 105.571 1.00 13.93 ? 223 GLY H CA 1 ATOM 3775 C C . GLY A 1 235 ? 65.695 -15.735 104.907 1.00 13.22 ? 223 GLY H C 1 ATOM 3776 O O . GLY A 1 235 ? 66.728 -15.636 105.575 1.00 13.98 ? 223 GLY H O 1 ATOM 3777 H H . GLY A 1 235 ? 62.750 -15.551 104.809 1.00 17.78 ? 223 GLY H H 1 ATOM 3778 H HA2 . GLY A 1 235 ? 64.251 -15.636 106.330 1.00 16.71 ? 223 GLY H HA2 1 ATOM 3779 H HA3 . GLY A 1 235 ? 64.588 -17.109 105.910 1.00 16.71 ? 223 GLY H HA3 1 ATOM 3780 N N . LYS A 1 236 ? 65.631 -15.465 103.604 1.00 12.31 ? 224 LYS H N 1 ATOM 3781 C CA . LYS A 1 236 ? 66.736 -14.831 102.876 1.00 11.79 ? 224 LYS H CA 1 ATOM 3782 C C . LYS A 1 236 ? 66.363 -13.383 102.605 1.00 11.45 ? 224 LYS H C 1 ATOM 3783 O O . LYS A 1 236 ? 65.181 -13.047 102.602 1.00 11.86 ? 224 LYS H O 1 ATOM 3784 C CB . LYS A 1 236 ? 67.026 -15.560 101.549 1.00 12.15 ? 224 LYS H CB 1 ATOM 3785 C CG . LYS A 1 236 ? 67.522 -17.010 101.718 1.00 13.81 ? 224 LYS H CG 1 ATOM 3786 C CD . LYS A 1 236 ? 68.899 -17.071 102.399 1.00 15.28 ? 224 LYS H CD 1 ATOM 3787 C CE . LYS A 1 236 ? 69.526 -18.432 102.332 1.00 16.55 ? 224 LYS H CE 1 ATOM 3788 N NZ . LYS A 1 236 ? 70.869 -18.427 102.969 1.00 17.15 ? 224 LYS H NZ 1 ATOM 3789 H H . LYS A 1 236 ? 64.949 -15.642 103.110 1.00 14.77 ? 224 LYS H H 1 ATOM 3790 H HA . LYS A 1 236 ? 67.539 -14.848 103.421 1.00 14.15 ? 224 LYS H HA 1 ATOM 3791 H HB2 . LYS A 1 236 ? 66.210 -15.587 101.025 1.00 14.57 ? 224 LYS H HB2 1 ATOM 3792 H HB3 . LYS A 1 236 ? 67.709 -15.069 101.067 1.00 14.57 ? 224 LYS H HB3 1 ATOM 3793 H HG2 . LYS A 1 236 ? 66.891 -17.501 102.268 1.00 16.57 ? 224 LYS H HG2 1 ATOM 3794 H HG3 . LYS A 1 236 ? 67.598 -17.425 100.845 1.00 16.57 ? 224 LYS H HG3 1 ATOM 3795 H HD2 . LYS A 1 236 ? 69.495 -16.445 101.960 1.00 18.33 ? 224 LYS H HD2 1 ATOM 3796 H HD3 . LYS A 1 236 ? 68.799 -16.833 103.334 1.00 18.33 ? 224 LYS H HD3 1 ATOM 3797 H HE2 . LYS A 1 236 ? 68.967 -19.068 102.804 1.00 19.85 ? 224 LYS H HE2 1 ATOM 3798 H HE3 . LYS A 1 236 ? 69.629 -18.694 101.404 1.00 19.85 ? 224 LYS H HE3 1 ATOM 3799 H HZ1 . LYS A 1 236 ? 70.799 -18.189 103.824 1.00 20.58 ? 224 LYS H HZ1 1 ATOM 3800 H HZ2 . LYS A 1 236 ? 71.230 -19.239 102.923 1.00 20.58 ? 224 LYS H HZ2 1 ATOM 3801 H HZ3 . LYS A 1 236 ? 71.401 -17.849 102.551 1.00 20.58 ? 224 LYS H HZ3 1 ATOM 3802 N N . TYR A 1 237 ? 67.375 -12.561 102.365 1.00 10.72 ? 225 TYR H N 1 ATOM 3803 C CA . TYR A 1 237 ? 67.204 -11.144 102.090 1.00 10.47 ? 225 TYR H CA 1 ATOM 3804 C C . TYR A 1 237 ? 68.057 -10.749 100.919 1.00 10.37 ? 225 TYR H C 1 ATOM 3805 O O . TYR A 1 237 ? 69.095 -11.342 100.660 1.00 13.09 ? 225 TYR H O 1 ATOM 3806 C CB . TYR A 1 237 ? 67.589 -10.315 103.352 1.00 10.61 ? 225 TYR H CB 1 ATOM 3807 C CG . TYR A 1 237 ? 66.729 -10.722 104.508 1.00 10.25 ? 225 TYR H CG 1 ATOM 3808 C CD1 . TYR A 1 237 ? 65.491 -10.159 104.692 1.00 10.97 ? 225 TYR H CD1 1 ATOM 3809 C CD2 . TYR A 1 237 ? 67.125 -11.733 105.374 1.00 11.20 ? 225 TYR H CD2 1 ATOM 3810 C CE1 . TYR A 1 237 ? 64.649 -10.586 105.670 1.00 12.02 ? 225 TYR H CE1 1 ATOM 3811 C CE2 . TYR A 1 237 ? 66.279 -12.178 106.373 1.00 12.41 ? 225 TYR H CE2 1 ATOM 3812 C CZ . TYR A 1 237 ? 65.039 -11.604 106.511 1.00 13.71 ? 225 TYR H CZ 1 ATOM 3813 O OH . TYR A 1 237 ? 64.165 -12.028 107.485 1.00 16.64 ? 225 TYR H OH 1 ATOM 3814 H H . TYR A 1 237 ? 68.197 -12.812 102.355 1.00 12.86 ? 225 TYR H H 1 ATOM 3815 H HA . TYR A 1 237 ? 66.276 -10.964 101.873 1.00 12.56 ? 225 TYR H HA 1 ATOM 3816 H HB2 . TYR A 1 237 ? 68.516 -10.483 103.581 1.00 12.73 ? 225 TYR H HB2 1 ATOM 3817 H HB3 . TYR A 1 237 ? 67.446 -9.371 103.177 1.00 12.73 ? 225 TYR H HB3 1 ATOM 3818 H HD1 . TYR A 1 237 ? 67.949 -12.146 105.251 1.00 13.45 ? 225 TYR H HD1 1 ATOM 3819 H HD2 . TYR A 1 237 ? 65.203 -9.500 104.103 1.00 13.16 ? 225 TYR H HD2 1 ATOM 3820 H HE1 . TYR A 1 237 ? 66.545 -12.863 106.943 1.00 14.89 ? 225 TYR H HE1 1 ATOM 3821 H HE2 . TYR A 1 237 ? 63.810 -10.197 105.766 1.00 14.42 ? 225 TYR H HE2 1 ATOM 3822 H HH . TYR A 1 237 ? 64.512 -12.649 107.931 1.00 19.97 ? 225 TYR H HH 1 ATOM 3823 N N . GLY A 1 238 ? 67.652 -9.728 100.191 1.00 9.70 ? 226 GLY H N 1 ATOM 3824 C CA . GLY A 1 238 ? 68.520 -9.201 99.168 1.00 9.06 ? 226 GLY H CA 1 ATOM 3825 C C . GLY A 1 238 ? 69.601 -8.324 99.780 1.00 8.29 ? 226 GLY H C 1 ATOM 3826 O O . GLY A 1 238 ? 69.342 -7.593 100.730 1.00 8.83 ? 226 GLY H O 1 ATOM 3827 H H . GLY A 1 238 ? 66.894 -9.329 100.269 1.00 11.64 ? 226 GLY H H 1 ATOM 3828 H HA2 . GLY A 1 238 ? 68.943 -9.931 98.688 1.00 10.87 ? 226 GLY H HA2 1 ATOM 3829 H HA3 . GLY A 1 238 ? 68.005 -8.671 98.540 1.00 10.87 ? 226 GLY H HA3 1 ATOM 3830 N N . PHE A 1 239 ? 70.803 -8.399 99.211 1.00 8.37 ? 227 PHE H N 1 ATOM 3831 C CA . PHE A 1 239 ? 71.924 -7.555 99.619 1.00 8.14 ? 227 PHE H CA 1 ATOM 3832 C C . PHE A 1 239 ? 72.222 -6.499 98.584 1.00 7.91 ? 227 PHE H C 1 ATOM 3833 O O . PHE A 1 239 ? 72.129 -6.729 97.364 1.00 8.35 ? 227 PHE H O 1 ATOM 3834 C CB . PHE A 1 239 ? 73.163 -8.429 99.922 1.00 8.66 ? 227 PHE H CB 1 ATOM 3835 C CG . PHE A 1 239 ? 73.032 -9.144 101.220 1.00 9.38 ? 227 PHE H CG 1 ATOM 3836 C CD1 . PHE A 1 239 ? 72.256 -10.299 101.333 1.00 10.65 ? 227 PHE H CD1 1 ATOM 3837 C CD2 . PHE A 1 239 ? 73.627 -8.626 102.373 1.00 9.85 ? 227 PHE H CD2 1 ATOM 3838 C CE1 . PHE A 1 239 ? 72.095 -10.924 102.577 1.00 11.56 ? 227 PHE H CE1 1 ATOM 3839 C CE2 . PHE A 1 239 ? 73.461 -9.259 103.608 1.00 11.09 ? 227 PHE H CE2 1 ATOM 3840 C CZ . PHE A 1 239 ? 72.697 -10.391 103.706 1.00 11.43 ? 227 PHE H CZ 1 ATOM 3841 H H . PHE A 1 239 ? 70.997 -8.942 98.573 1.00 10.04 ? 227 PHE H H 1 ATOM 3842 H HA . PHE A 1 239 ? 71.682 -7.097 100.439 1.00 9.77 ? 227 PHE H HA 1 ATOM 3843 H HB2 . PHE A 1 239 ? 73.266 -9.091 99.221 1.00 10.39 ? 227 PHE H HB2 1 ATOM 3844 H HB3 . PHE A 1 239 ? 73.950 -7.864 99.966 1.00 10.39 ? 227 PHE H HB3 1 ATOM 3845 H HD1 . PHE A 1 239 ? 71.837 -10.650 100.581 1.00 12.77 ? 227 PHE H HD1 1 ATOM 3846 H HD2 . PHE A 1 239 ? 74.134 -7.848 102.320 1.00 11.82 ? 227 PHE H HD2 1 ATOM 3847 H HE1 . PHE A 1 239 ? 71.584 -11.699 102.644 1.00 13.88 ? 227 PHE H HE1 1 ATOM 3848 H HE2 . PHE A 1 239 ? 73.869 -8.909 104.366 1.00 13.30 ? 227 PHE H HE2 1 ATOM 3849 H HZ . PHE A 1 239 ? 72.605 -10.819 104.527 1.00 13.71 ? 227 PHE H HZ 1 ATOM 3850 N N . TYR A 1 240 ? 72.564 -5.326 99.098 1.00 7.87 ? 228 TYR H N 1 ATOM 3851 C CA . TYR A 1 240 ? 72.703 -4.108 98.336 1.00 7.57 ? 228 TYR H CA 1 ATOM 3852 C C . TYR A 1 240 ? 74.027 -3.453 98.694 1.00 7.52 ? 228 TYR H C 1 ATOM 3853 O O . TYR A 1 240 ? 74.410 -3.372 99.862 1.00 8.22 ? 228 TYR H O 1 ATOM 3854 C CB . TYR A 1 240 ? 71.514 -3.152 98.664 1.00 7.83 ? 228 TYR H CB 1 ATOM 3855 C CG . TYR A 1 240 ? 70.194 -3.738 98.258 1.00 7.68 ? 228 TYR H CG 1 ATOM 3856 C CD1 . TYR A 1 240 ? 69.523 -4.605 99.102 1.00 7.87 ? 228 TYR H CD1 1 ATOM 3857 C CD2 . TYR A 1 240 ? 69.643 -3.483 97.016 1.00 7.78 ? 228 TYR H CD2 1 ATOM 3858 C CE1 . TYR A 1 240 ? 68.355 -5.211 98.732 1.00 8.30 ? 228 TYR H CE1 1 ATOM 3859 C CE2 . TYR A 1 240 ? 68.468 -4.069 96.640 1.00 8.40 ? 228 TYR H CE2 1 ATOM 3860 C CZ . TYR A 1 240 ? 67.817 -4.956 97.486 1.00 8.57 ? 228 TYR H CZ 1 ATOM 3861 O OH . TYR A 1 240 ? 66.645 -5.560 97.049 1.00 9.97 ? 228 TYR H OH 1 ATOM 3862 H H . TYR A 1 240 ? 72.728 -5.213 99.935 1.00 9.45 ? 228 TYR H H 1 ATOM 3863 H HA . TYR A 1 240 ? 72.696 -4.308 97.387 1.00 9.09 ? 228 TYR H HA 1 ATOM 3864 H HB2 . TYR A 1 240 ? 71.491 -2.988 99.619 1.00 9.40 ? 228 TYR H HB2 1 ATOM 3865 H HB3 . TYR A 1 240 ? 71.635 -2.318 98.184 1.00 9.40 ? 228 TYR H HB3 1 ATOM 3866 H HD1 . TYR A 1 240 ? 69.892 -4.805 99.932 1.00 9.44 ? 228 TYR H HD1 1 ATOM 3867 H HD2 . TYR A 1 240 ? 70.081 -2.913 96.427 1.00 9.33 ? 228 TYR H HD2 1 ATOM 3868 H HE1 . TYR A 1 240 ? 67.928 -5.799 99.313 1.00 9.96 ? 228 TYR H HE1 1 ATOM 3869 H HE2 . TYR A 1 240 ? 68.119 -3.898 95.795 1.00 10.08 ? 228 TYR H HE2 1 ATOM 3870 H HH . TYR A 1 240 ? 66.459 -5.297 96.273 1.00 11.96 ? 228 TYR H HH 1 ATOM 3871 N N . THR A 1 241 ? 74.700 -2.905 97.695 1.00 7.35 ? 229 THR H N 1 ATOM 3872 C CA . THR A 1 241 ? 75.877 -2.088 97.899 1.00 7.38 ? 229 THR H CA 1 ATOM 3873 C C . THR A 1 241 ? 75.493 -0.815 98.611 1.00 7.56 ? 229 THR H C 1 ATOM 3874 O O . THR A 1 241 ? 74.538 -0.149 98.197 1.00 8.18 ? 229 THR H O 1 ATOM 3875 C CB . THR A 1 241 ? 76.507 -1.739 96.580 1.00 7.86 ? 229 THR H CB 1 ATOM 3876 O OG1 . THR A 1 241 ? 76.668 -2.935 95.839 1.00 8.80 ? 229 THR H OG1 1 ATOM 3877 C CG2 . THR A 1 241 ? 77.841 -1.028 96.761 1.00 8.93 ? 229 THR H CG2 1 ATOM 3878 H H . THR A 1 241 ? 74.486 -2.998 96.868 1.00 8.82 ? 229 THR H H 1 ATOM 3879 H HA . THR A 1 241 ? 76.523 -2.568 98.440 1.00 8.85 ? 229 THR H HA 1 ATOM 3880 H HB . THR A 1 241 ? 75.914 -1.144 96.095 1.00 9.44 ? 229 THR H HB 1 ATOM 3881 H HG1 . THR A 1 241 ? 77.019 -2.766 95.095 1.00 10.56 ? 229 THR H HG1 1 ATOM 3882 H HG21 . THR A 1 241 ? 78.457 -1.598 97.247 1.00 10.72 ? 229 THR H HG21 1 ATOM 3883 H HG22 . THR A 1 241 ? 78.223 -0.815 95.896 1.00 10.72 ? 229 THR H HG22 1 ATOM 3884 H HG23 . THR A 1 241 ? 77.712 -0.205 97.260 1.00 10.72 ? 229 THR H HG23 1 ATOM 3885 N N . HIS A 1 242 ? 76.221 -0.455 99.666 1.00 8.10 ? 230 HIS H N 1 ATOM 3886 C CA . HIS A 1 242 ? 75.977 0.749 100.473 1.00 8.32 ? 230 HIS H CA 1 ATOM 3887 C C . HIS A 1 242 ? 76.626 1.934 99.756 1.00 8.61 ? 230 HIS H C 1 ATOM 3888 O O . HIS A 1 242 ? 77.829 2.177 99.865 1.00 9.47 ? 230 HIS H O 1 ATOM 3889 C CB . HIS A 1 242 ? 76.581 0.511 101.854 1.00 8.97 ? 230 HIS H CB 1 ATOM 3890 C CG . HIS A 1 242 ? 76.178 1.477 102.915 1.00 10.13 ? 230 HIS H CG 1 ATOM 3891 N ND1 . HIS A 1 242 ? 76.054 2.841 102.731 1.00 10.94 ? 230 HIS H ND1 1 ATOM 3892 C CD2 . HIS A 1 242 ? 75.996 1.239 104.233 1.00 11.94 ? 230 HIS H CD2 1 ATOM 3893 C CE1 . HIS A 1 242 ? 75.769 3.392 103.898 1.00 11.24 ? 230 HIS H CE1 1 ATOM 3894 N NE2 . HIS A 1 242 ? 75.732 2.446 104.822 1.00 12.14 ? 230 HIS H NE2 1 ATOM 3895 H H . HIS A 1 242 ? 76.893 -0.912 99.949 1.00 9.72 ? 230 HIS H H 1 ATOM 3896 H HA . HIS A 1 242 ? 75.024 0.908 100.561 1.00 9.98 ? 230 HIS H HA 1 ATOM 3897 H HB2 . HIS A 1 242 ? 76.319 -0.373 102.154 1.00 10.76 ? 230 HIS H HB2 1 ATOM 3898 H HB3 . HIS A 1 242 ? 77.547 0.553 101.776 1.00 10.76 ? 230 HIS H HB3 1 ATOM 3899 H HD2 . HIS A 1 242 ? 76.033 0.412 104.658 1.00 14.33 ? 230 HIS H HD2 1 ATOM 3900 H HE1 . HIS A 1 242 ? 75.610 4.296 104.044 1.00 13.49 ? 230 HIS H HE1 1 ATOM 3901 N N . VAL A 1 243 ? 75.818 2.664 98.990 1.00 8.18 ? 231 VAL H N 1 ATOM 3902 C CA . VAL A 1 243 ? 76.341 3.711 98.117 1.00 8.73 ? 231 VAL H CA 1 ATOM 3903 C C . VAL A 1 243 ? 77.078 4.785 98.906 1.00 8.92 ? 231 VAL H C 1 ATOM 3904 O O . VAL A 1 243 ? 78.175 5.203 98.520 1.00 9.92 ? 231 VAL H O 1 ATOM 3905 C CB . VAL A 1 243 ? 75.200 4.301 97.245 1.00 9.12 ? 231 VAL H CB 1 ATOM 3906 C CG1 . VAL A 1 243 ? 75.647 5.548 96.480 1.00 10.36 ? 231 VAL H CG1 1 ATOM 3907 C CG2 . VAL A 1 243 ? 74.713 3.236 96.270 1.00 9.19 ? 231 VAL H CG2 1 ATOM 3908 H H . VAL A 1 243 ? 74.963 2.572 98.958 1.00 9.81 ? 231 VAL H H 1 ATOM 3909 H HA . VAL A 1 243 ? 76.984 3.308 97.512 1.00 10.48 ? 231 VAL H HA 1 ATOM 3910 H HB . VAL A 1 243 ? 74.458 4.548 97.818 1.00 10.95 ? 231 VAL H HB 1 ATOM 3911 H HG11 . VAL A 1 243 ? 76.386 5.313 95.898 1.00 12.43 ? 231 VAL H HG11 1 ATOM 3912 H HG12 . VAL A 1 243 ? 74.902 5.878 95.953 1.00 12.43 ? 231 VAL H HG12 1 ATOM 3913 H HG13 . VAL A 1 243 ? 75.927 6.224 97.116 1.00 12.43 ? 231 VAL H HG13 1 ATOM 3914 H HG21 . VAL A 1 243 ? 74.384 2.475 96.773 1.00 11.02 ? 231 VAL H HG21 1 ATOM 3915 H HG22 . VAL A 1 243 ? 74.001 3.608 95.727 1.00 11.02 ? 231 VAL H HG22 1 ATOM 3916 H HG23 . VAL A 1 243 ? 75.453 2.965 95.704 1.00 11.02 ? 231 VAL H HG23 1 ATOM 3917 N N . PHE A 1 244 ? 76.480 5.282 99.988 1.00 9.13 ? 232 PHE H N 1 ATOM 3918 C CA . PHE A 1 244 ? 77.132 6.339 100.728 1.00 9.95 ? 232 PHE H CA 1 ATOM 3919 C C . PHE A 1 244 ? 78.523 5.918 101.210 1.00 10.16 ? 232 PHE H C 1 ATOM 3920 O O . PHE A 1 244 ? 79.460 6.714 101.165 1.00 11.72 ? 232 PHE H O 1 ATOM 3921 C CB . PHE A 1 244 ? 76.310 6.846 101.925 1.00 10.69 ? 232 PHE H CB 1 ATOM 3922 C CG . PHE A 1 244 ? 77.055 7.900 102.655 1.00 13.01 ? 232 PHE H CG 1 ATOM 3923 C CD1 . PHE A 1 244 ? 77.216 9.151 102.082 1.00 14.28 ? 232 PHE H CD1 1 ATOM 3924 C CD2 . PHE A 1 244 ? 77.729 7.611 103.820 1.00 15.20 ? 232 PHE H CD2 1 ATOM 3925 C CE1 . PHE A 1 244 ? 78.012 10.090 102.674 1.00 17.37 ? 232 PHE H CE1 1 ATOM 3926 C CE2 . PHE A 1 244 ? 78.528 8.564 104.412 1.00 17.69 ? 232 PHE H CE2 1 ATOM 3927 C CZ . PHE A 1 244 ? 78.662 9.782 103.834 1.00 18.64 ? 232 PHE H CZ 1 ATOM 3928 H H . PHE A 1 244 ? 75.721 5.028 100.301 1.00 10.96 ? 232 PHE H H 1 ATOM 3929 H HA . PHE A 1 244 ? 77.254 7.092 100.128 1.00 11.95 ? 232 PHE H HA 1 ATOM 3930 H HB2 . PHE A 1 244 ? 75.475 7.224 101.607 1.00 12.83 ? 232 PHE H HB2 1 ATOM 3931 H HB3 . PHE A 1 244 ? 76.139 6.111 102.535 1.00 12.83 ? 232 PHE H HB3 1 ATOM 3932 H HD1 . PHE A 1 244 ? 76.799 9.344 101.274 1.00 17.14 ? 232 PHE H HD1 1 ATOM 3933 H HD2 . PHE A 1 244 ? 77.662 6.763 104.197 1.00 18.24 ? 232 PHE H HD2 1 ATOM 3934 H HE1 . PHE A 1 244 ? 78.098 10.936 102.299 1.00 20.84 ? 232 PHE H HE1 1 ATOM 3935 H HE2 . PHE A 1 244 ? 78.964 8.377 105.212 1.00 21.22 ? 232 PHE H HE2 1 ATOM 3936 H HZ . PHE A 1 244 ? 79.167 10.436 104.260 1.00 22.36 ? 232 PHE H HZ 1 ATOM 3937 N N . ARG A 1 245 ? 78.674 4.678 101.677 1.00 10.15 ? 233 ARG H N 1 ATOM 3938 C CA . ARG A 1 245 ? 79.968 4.232 102.174 1.00 11.85 ? 233 ARG H CA 1 ATOM 3939 C C . ARG A 1 245 ? 81.068 4.276 101.116 1.00 12.29 ? 233 ARG H C 1 ATOM 3940 O O . ARG A 1 245 ? 82.252 4.325 101.465 1.00 13.92 ? 233 ARG H O 1 ATOM 3941 C CB . ARG A 1 245 ? 79.882 2.798 102.695 1.00 14.24 ? 233 ARG H CB 1 ATOM 3942 C CG . ARG A 1 245 ? 79.220 2.597 104.032 1.00 18.64 ? 233 ARG H CG 1 ATOM 3943 C CD . ARG A 1 245 ? 80.221 2.628 105.135 1.00 23.11 ? 233 ARG H CD 1 ATOM 3944 N NE . ARG A 1 245 ? 81.215 1.584 104.931 1.00 25.18 ? 233 ARG H NE 1 ATOM 3945 C CZ . ARG A 1 245 ? 82.330 1.484 105.640 1.00 26.64 ? 233 ARG H CZ 1 ATOM 3946 N NH1 . ARG A 1 245 ? 82.586 2.358 106.613 1.00 29.78 ? 233 ARG H NH1 1 ATOM 3947 N NH2 . ARG A 1 245 ? 83.194 0.518 105.367 1.00 27.22 ? 233 ARG H NH2 1 ATOM 3948 H H . ARG A 1 245 ? 78.051 4.086 101.715 1.00 12.18 ? 233 ARG H H 1 ATOM 3949 H HA . ARG A 1 245 ? 80.237 4.804 102.910 1.00 14.22 ? 233 ARG H HA 1 ATOM 3950 H HB2 . ARG A 1 245 ? 79.386 2.271 102.049 1.00 17.09 ? 233 ARG H HB2 1 ATOM 3951 H HB3 . ARG A 1 245 ? 80.784 2.448 102.767 1.00 17.09 ? 233 ARG H HB3 1 ATOM 3952 H HG2 . ARG A 1 245 ? 78.578 3.308 104.183 1.00 22.37 ? 233 ARG H HG2 1 ATOM 3953 H HG3 . ARG A 1 245 ? 78.778 1.734 104.045 1.00 22.37 ? 233 ARG H HG3 1 ATOM 3954 H HD2 . ARG A 1 245 ? 80.671 3.487 105.141 1.00 27.73 ? 233 ARG H HD2 1 ATOM 3955 H HD3 . ARG A 1 245 ? 79.776 2.469 105.982 1.00 27.73 ? 233 ARG H HD3 1 ATOM 3956 H HE . ARG A 1 245 ? 81.127 1.073 104.245 1.00 30.21 ? 233 ARG H HE 1 ATOM 3957 H HH11 . ARG A 1 245 ? 82.028 2.989 106.782 1.00 35.74 ? 233 ARG H HH11 1 ATOM 3958 H HH12 . ARG A 1 245 ? 83.310 2.289 107.073 1.00 35.74 ? 233 ARG H HH12 1 ATOM 3959 H HH21 . ARG A 1 245 ? 83.023 -0.047 104.741 1.00 32.67 ? 233 ARG H HH21 1 ATOM 3960 H HH22 . ARG A 1 245 ? 83.915 0.441 105.830 1.00 32.67 ? 233 ARG H HH22 1 ATOM 3961 N N . LEU A 1 246 ? 80.683 4.218 99.840 1.00 10.83 ? 234 LEU H N 1 ATOM 3962 C CA . LEU A 1 246 ? 81.621 4.175 98.728 1.00 11.66 ? 234 LEU H CA 1 ATOM 3963 C C . LEU A 1 246 ? 81.636 5.493 97.964 1.00 12.70 ? 234 LEU H C 1 ATOM 3964 O O . LEU A 1 246 ? 82.233 5.588 96.875 1.00 13.87 ? 234 LEU H O 1 ATOM 3965 C CB . LEU A 1 246 ? 81.318 2.979 97.822 1.00 11.89 ? 234 LEU H CB 1 ATOM 3966 C CG . LEU A 1 246 ? 81.405 1.636 98.566 1.00 12.16 ? 234 LEU H CG 1 ATOM 3967 C CD1 . LEU A 1 246 ? 80.754 0.519 97.810 1.00 13.28 ? 234 LEU H CD1 1 ATOM 3968 C CD2 . LEU A 1 246 ? 82.845 1.274 98.872 1.00 16.18 ? 234 LEU H CD2 1 ATOM 3969 H H . LEU A 1 246 ? 79.859 4.201 99.591 1.00 12.99 ? 234 LEU H H 1 ATOM 3970 H HA . LEU A 1 246 ? 82.512 4.043 99.089 1.00 13.99 ? 234 LEU H HA 1 ATOM 3971 H HB2 . LEU A 1 246 ? 80.419 3.069 97.469 1.00 14.27 ? 234 LEU H HB2 1 ATOM 3972 H HB3 . LEU A 1 246 ? 81.961 2.961 97.095 1.00 14.27 ? 234 LEU H HB3 1 ATOM 3973 H HG . LEU A 1 246 ? 80.941 1.724 99.413 1.00 14.59 ? 234 LEU H HG 1 ATOM 3974 H HD11 . LEU A 1 246 ? 81.196 0.419 96.952 1.00 15.94 ? 234 LEU H HD11 1 ATOM 3975 H HD12 . LEU A 1 246 ? 80.838 -0.300 98.323 1.00 15.94 ? 234 LEU H HD12 1 ATOM 3976 H HD13 . LEU A 1 246 ? 79.817 0.732 97.677 1.00 15.94 ? 234 LEU H HD13 1 ATOM 3977 H HD21 . LEU A 1 246 ? 83.233 1.967 99.428 1.00 19.42 ? 234 LEU H HD21 1 ATOM 3978 H HD22 . LEU A 1 246 ? 82.863 0.425 99.340 1.00 19.42 ? 234 LEU H HD22 1 ATOM 3979 H HD23 . LEU A 1 246 ? 83.336 1.204 98.039 1.00 19.42 ? 234 LEU H HD23 1 ATOM 3980 N N . LYS A 1 247 ? 81.025 6.535 98.531 1.00 13.65 ? 235 LYS H N 1 ATOM 3981 C CA . LYS A 1 247 ? 80.874 7.771 97.786 1.00 16.07 ? 235 LYS H CA 1 ATOM 3982 C C . LYS A 1 247 ? 82.218 8.478 97.548 1.00 16.72 ? 235 LYS H C 1 ATOM 3983 O O . LYS A 1 247 ? 82.368 9.182 96.555 1.00 18.38 ? 235 LYS H O 1 ATOM 3984 C CB . LYS A 1 247 ? 79.877 8.700 98.468 1.00 18.12 ? 235 LYS H CB 1 ATOM 3985 C CG . LYS A 1 247 ? 79.427 9.852 97.579 1.00 20.35 ? 235 LYS H CG 1 ATOM 3986 C CD . LYS A 1 247 ? 78.405 10.707 98.246 1.00 21.88 ? 235 LYS H CD 1 ATOM 3987 C CE . LYS A 1 247 ? 77.958 11.800 97.321 1.00 23.09 ? 235 LYS H CE 1 ATOM 3988 N NZ . LYS A 1 247 ? 77.077 12.775 98.004 1.00 25.19 ? 235 LYS H NZ 1 ATOM 3989 H H . LYS A 1 247 ? 80.698 6.547 99.326 1.00 16.38 ? 235 LYS H H 1 ATOM 3990 H HA . LYS A 1 247 ? 80.510 7.553 96.914 1.00 19.28 ? 235 LYS H HA 1 ATOM 3991 H HB2 . LYS A 1 247 ? 79.090 8.189 98.716 1.00 21.74 ? 235 LYS H HB2 1 ATOM 3992 H HB3 . LYS A 1 247 ? 80.289 9.078 99.260 1.00 21.74 ? 235 LYS H HB3 1 ATOM 3993 H HG2 . LYS A 1 247 ? 80.193 10.407 97.365 1.00 24.42 ? 235 LYS H HG2 1 ATOM 3994 H HG3 . LYS A 1 247 ? 79.037 9.494 96.766 1.00 24.42 ? 235 LYS H HG3 1 ATOM 3995 H HD2 . LYS A 1 247 ? 77.634 10.168 98.481 1.00 26.25 ? 235 LYS H HD2 1 ATOM 3996 H HD3 . LYS A 1 247 ? 78.790 11.113 99.039 1.00 26.25 ? 235 LYS H HD3 1 ATOM 3997 H HE2 . LYS A 1 247 ? 78.736 12.275 96.989 1.00 27.70 ? 235 LYS H HE2 1 ATOM 3998 H HE3 . LYS A 1 247 ? 77.464 11.410 96.582 1.00 27.70 ? 235 LYS H HE3 1 ATOM 3999 H HZ1 . LYS A 1 247 ? 77.510 13.151 98.684 1.00 30.23 ? 235 LYS H HZ1 1 ATOM 4000 H HZ2 . LYS A 1 247 ? 76.828 13.410 97.433 1.00 30.23 ? 235 LYS H HZ2 1 ATOM 4001 H HZ3 . LYS A 1 247 ? 76.352 12.363 98.314 1.00 30.23 ? 235 LYS H HZ3 1 ATOM 4002 N N . LYS A 1 248 ? 83.203 8.299 98.432 1.00 17.11 ? 236 LYS H N 1 ATOM 4003 C CA . LYS A 1 248 ? 84.509 8.945 98.202 1.00 19.50 ? 236 LYS H CA 1 ATOM 4004 C C . LYS A 1 248 ? 85.116 8.468 96.884 1.00 17.76 ? 236 LYS H C 1 ATOM 4005 O O . LYS A 1 248 ? 85.711 9.252 96.130 1.00 18.71 ? 236 LYS H O 1 ATOM 4006 C CB . LYS A 1 248 ? 85.493 8.667 99.343 1.00 23.18 ? 236 LYS H CB 1 ATOM 4007 C CG . LYS A 1 248 ? 85.225 9.466 100.600 1.00 25.25 ? 236 LYS H CG 1 ATOM 4008 H H . LYS A 1 248 ? 83.150 7.828 99.150 1.00 20.53 ? 236 LYS H H 1 ATOM 4009 H HA . LYS A 1 248 ? 84.381 9.905 98.143 1.00 23.40 ? 236 LYS H HA 1 ATOM 4010 H HB2 . LYS A 1 248 ? 85.443 7.726 99.575 1.00 27.81 ? 236 LYS H HB2 1 ATOM 4011 H HB3 . LYS A 1 248 ? 86.389 8.882 99.041 1.00 27.81 ? 236 LYS H HB3 1 ATOM 4012 N N . TRP A 1 249 ? 84.973 7.179 96.600 1.00 16.47 ? 237 TRP H N 1 ATOM 4013 C CA . TRP A 1 249 ? 85.464 6.629 95.340 1.00 15.76 ? 237 TRP H CA 1 ATOM 4014 C C . TRP A 1 249 ? 84.678 7.216 94.160 1.00 14.44 ? 237 TRP H C 1 ATOM 4015 O O . TRP A 1 249 ? 85.266 7.628 93.161 1.00 15.57 ? 237 TRP H O 1 ATOM 4016 C CB . TRP A 1 249 ? 85.397 5.100 95.318 1.00 15.27 ? 237 TRP H CB 1 ATOM 4017 C CG . TRP A 1 249 ? 85.752 4.564 93.979 1.00 15.64 ? 237 TRP H CG 1 ATOM 4018 C CD1 . TRP A 1 249 ? 87.001 4.416 93.456 1.00 16.62 ? 237 TRP H CD1 1 ATOM 4019 C CD2 . TRP A 1 249 ? 84.836 4.112 92.983 1.00 14.89 ? 237 TRP H CD2 1 ATOM 4020 N NE1 . TRP A 1 249 ? 86.916 3.901 92.188 1.00 17.07 ? 237 TRP H NE1 1 ATOM 4021 C CE2 . TRP A 1 249 ? 85.598 3.707 91.869 1.00 16.02 ? 237 TRP H CE2 1 ATOM 4022 C CE3 . TRP A 1 249 ? 83.440 4.037 92.912 1.00 14.65 ? 237 TRP H CE3 1 ATOM 4023 C CZ2 . TRP A 1 249 ? 85.013 3.213 90.708 1.00 17.16 ? 237 TRP H CZ2 1 ATOM 4024 C CZ3 . TRP A 1 249 ? 82.864 3.543 91.754 1.00 15.79 ? 237 TRP H CZ3 1 ATOM 4025 C CH2 . TRP A 1 249 ? 83.649 3.149 90.666 1.00 17.10 ? 237 TRP H CH2 1 ATOM 4026 H H . TRP A 1 249 ? 84.599 6.602 97.116 1.00 19.76 ? 237 TRP H H 1 ATOM 4027 H HA . TRP A 1 249 ? 86.393 6.885 95.231 1.00 18.91 ? 237 TRP H HA 1 ATOM 4028 H HB2 . TRP A 1 249 ? 86.025 4.742 95.965 1.00 18.32 ? 237 TRP H HB2 1 ATOM 4029 H HB3 . TRP A 1 249 ? 84.495 4.814 95.531 1.00 18.32 ? 237 TRP H HB3 1 ATOM 4030 H HD1 . TRP A 1 249 ? 87.793 4.626 93.895 1.00 19.94 ? 237 TRP H HD1 1 ATOM 4031 H HE1 . TRP A 1 249 ? 87.584 3.722 91.677 1.00 20.49 ? 237 TRP H HE1 1 ATOM 4032 H HE3 . TRP A 1 249 ? 82.912 4.304 93.630 1.00 17.58 ? 237 TRP H HE3 1 ATOM 4033 H HZ2 . TRP A 1 249 ? 85.531 2.947 89.983 1.00 20.59 ? 237 TRP H HZ2 1 ATOM 4034 H HZ3 . TRP A 1 249 ? 81.938 3.480 91.696 1.00 18.95 ? 237 TRP H HZ3 1 ATOM 4035 H HH2 . TRP A 1 249 ? 83.234 2.814 89.904 1.00 20.51 ? 237 TRP H HH2 1 ATOM 4036 N N . ILE A 1 250 ? 83.352 7.264 94.269 1.00 14.14 ? 238 ILE H N 1 ATOM 4037 C CA . ILE A 1 250 ? 82.536 7.839 93.208 1.00 14.63 ? 238 ILE H CA 1 ATOM 4038 C C . ILE A 1 250 ? 83.000 9.249 92.884 1.00 16.00 ? 238 ILE H C 1 ATOM 4039 O O . ILE A 1 250 ? 83.189 9.610 91.719 1.00 16.05 ? 238 ILE H O 1 ATOM 4040 C CB . ILE A 1 250 ? 81.042 7.862 93.590 1.00 14.93 ? 238 ILE H CB 1 ATOM 4041 C CG1 . ILE A 1 250 ? 80.500 6.441 93.766 1.00 14.72 ? 238 ILE H CG1 1 ATOM 4042 C CG2 . ILE A 1 250 ? 80.228 8.622 92.515 1.00 16.27 ? 238 ILE H CG2 1 ATOM 4043 C CD1 . ILE A 1 250 ? 79.073 6.409 94.332 1.00 15.50 ? 238 ILE H CD1 1 ATOM 4044 H H . ILE A 1 250 ? 82.904 6.971 94.943 1.00 16.97 ? 238 ILE H H 1 ATOM 4045 H HA . ILE A 1 250 ? 82.633 7.300 92.408 1.00 17.55 ? 238 ILE H HA 1 ATOM 4046 H HB . ILE A 1 250 ? 80.949 8.332 94.434 1.00 17.91 ? 238 ILE H HB 1 ATOM 4047 H HG12 . ILE A 1 250 ? 80.489 5.999 92.902 1.00 17.66 ? 238 ILE H HG12 1 ATOM 4048 H HG13 . ILE A 1 250 ? 81.076 5.957 94.378 1.00 17.66 ? 238 ILE H HG13 1 ATOM 4049 H HG21 . ILE A 1 250 ? 80.334 8.173 91.662 1.00 19.52 ? 238 ILE H HG21 1 ATOM 4050 H HG22 . ILE A 1 250 ? 79.292 8.626 92.773 1.00 19.52 ? 238 ILE H HG22 1 ATOM 4051 H HG23 . ILE A 1 250 ? 80.558 9.532 92.454 1.00 19.52 ? 238 ILE H HG23 1 ATOM 4052 H HD11 . ILE A 1 250 ? 78.482 6.882 93.726 1.00 18.60 ? 238 ILE H HD11 1 ATOM 4053 H HD12 . ILE A 1 250 ? 78.789 5.485 94.419 1.00 18.60 ? 238 ILE H HD12 1 ATOM 4054 H HD13 . ILE A 1 250 ? 79.069 6.840 95.201 1.00 18.60 ? 238 ILE H HD13 1 ATOM 4055 N N . GLN A 1 251 ? 83.163 10.063 93.922 1.00 17.02 ? 239 GLN H N 1 ATOM 4056 C CA . GLN A 1 251 ? 83.535 11.458 93.748 1.00 19.98 ? 239 GLN H CA 1 ATOM 4057 C C . GLN A 1 251 ? 84.925 11.560 93.143 1.00 19.91 ? 239 GLN H C 1 ATOM 4058 O O . GLN A 1 251 ? 85.157 12.420 92.299 1.00 21.45 ? 239 GLN H O 1 ATOM 4059 C CB . GLN A 1 251 ? 83.481 12.198 95.080 1.00 24.53 ? 239 GLN H CB 1 ATOM 4060 C CG . GLN A 1 251 ? 83.409 13.707 94.931 1.00 29.59 ? 239 GLN H CG 1 ATOM 4061 C CD . GLN A 1 251 ? 82.117 14.153 94.272 1.00 33.30 ? 239 GLN H CD 1 ATOM 4062 O OE1 . GLN A 1 251 ? 81.019 13.825 94.742 1.00 35.65 ? 239 GLN H OE1 1 ATOM 4063 N NE2 . GLN A 1 251 ? 82.236 14.881 93.167 1.00 34.38 ? 239 GLN H NE2 1 ATOM 4064 H H . GLN A 1 251 ? 83.064 9.827 94.744 1.00 20.42 ? 239 GLN H H 1 ATOM 4065 H HA . GLN A 1 251 ? 82.908 11.882 93.140 1.00 23.98 ? 239 GLN H HA 1 ATOM 4066 H HB2 . GLN A 1 251 ? 82.694 11.909 95.567 1.00 29.44 ? 239 GLN H HB2 1 ATOM 4067 H HB3 . GLN A 1 251 ? 84.280 11.987 95.588 1.00 29.44 ? 239 GLN H HB3 1 ATOM 4068 H HG2 . GLN A 1 251 ? 83.457 14.116 95.809 1.00 35.51 ? 239 GLN H HG2 1 ATOM 4069 H HG3 . GLN A 1 251 ? 84.149 14.008 94.381 1.00 35.51 ? 239 GLN H HG3 1 ATOM 4070 H HE21 . GLN A 1 251 ? 83.017 15.076 92.862 1.00 41.25 ? 239 GLN H HE21 1 ATOM 4071 H HE22 . GLN A 1 251 ? 81.533 15.158 92.756 1.00 41.25 ? 239 GLN H HE22 1 ATOM 4072 N N . LYS A 1 252 ? 85.844 10.695 93.569 1.00 20.19 ? 240 LYS H N 1 ATOM 4073 C CA . LYS A 1 252 ? 87.205 10.717 93.047 1.00 22.11 ? 240 LYS H CA 1 ATOM 4074 C C . LYS A 1 252 ? 87.215 10.448 91.545 1.00 20.11 ? 240 LYS H C 1 ATOM 4075 O O . LYS A 1 252 ? 87.918 11.126 90.795 1.00 22.24 ? 240 LYS H O 1 ATOM 4076 C CB . LYS A 1 252 ? 88.068 9.691 93.788 1.00 23.95 ? 240 LYS H CB 1 ATOM 4077 C CG . LYS A 1 252 ? 89.518 9.632 93.347 1.00 27.44 ? 240 LYS H CG 1 ATOM 4078 C CD . LYS A 1 252 ? 90.254 8.523 94.075 1.00 29.27 ? 240 LYS H CD 1 ATOM 4079 H H . LYS A 1 252 ? 85.703 10.087 94.161 1.00 24.23 ? 240 LYS H H 1 ATOM 4080 H HA . LYS A 1 252 ? 87.588 11.595 93.197 1.00 26.53 ? 240 LYS H HA 1 ATOM 4081 H HB2 . LYS A 1 252 ? 88.058 9.906 94.734 1.00 28.74 ? 240 LYS H HB2 1 ATOM 4082 H HB3 . LYS A 1 252 ? 87.685 8.810 93.652 1.00 28.74 ? 240 LYS H HB3 1 ATOM 4083 H HG2 . LYS A 1 252 ? 89.559 9.453 92.394 1.00 32.93 ? 240 LYS H HG2 1 ATOM 4084 H HG3 . LYS A 1 252 ? 89.953 10.474 93.553 1.00 32.93 ? 240 LYS H HG3 1 ATOM 4085 N N . VAL A 1 253 ? 86.430 9.474 91.103 1.00 18.99 ? 241 VAL H N 1 ATOM 4086 C CA . VAL A 1 253 ? 86.378 9.121 89.691 1.00 19.59 ? 241 VAL H CA 1 ATOM 4087 C C . VAL A 1 253 ? 85.781 10.252 88.867 1.00 19.56 ? 241 VAL H C 1 ATOM 4088 O O . VAL A 1 253 ? 86.323 10.655 87.842 1.00 20.88 ? 241 VAL H O 1 ATOM 4089 C CB . VAL A 1 253 ? 85.582 7.817 89.487 1.00 18.52 ? 241 VAL H CB 1 ATOM 4090 C CG1 . VAL A 1 253 ? 85.293 7.566 88.006 1.00 19.64 ? 241 VAL H CG1 1 ATOM 4091 C CG2 . VAL A 1 253 ? 86.366 6.648 90.078 1.00 19.20 ? 241 VAL H CG2 1 ATOM 4092 H H . VAL A 1 253 ? 85.915 9.000 91.602 1.00 22.78 ? 241 VAL H H 1 ATOM 4093 H HA . VAL A 1 253 ? 87.282 8.969 89.373 1.00 23.50 ? 241 VAL H HA 1 ATOM 4094 H HB . VAL A 1 253 ? 84.735 7.883 89.955 1.00 22.23 ? 241 VAL H HB 1 ATOM 4095 H HG11 . VAL A 1 253 ? 86.134 7.496 87.528 1.00 23.56 ? 241 VAL H HG11 1 ATOM 4096 H HG12 . VAL A 1 253 ? 84.792 6.739 87.918 1.00 23.56 ? 241 VAL H HG12 1 ATOM 4097 H HG13 . VAL A 1 253 ? 84.773 8.306 87.656 1.00 23.56 ? 241 VAL H HG13 1 ATOM 4098 H HG21 . VAL A 1 253 ? 86.501 6.806 91.026 1.00 23.04 ? 241 VAL H HG21 1 ATOM 4099 H HG22 . VAL A 1 253 ? 85.860 5.831 89.947 1.00 23.04 ? 241 VAL H HG22 1 ATOM 4100 H HG23 . VAL A 1 253 ? 87.222 6.583 89.628 1.00 23.04 ? 241 VAL H HG23 1 ATOM 4101 N N . ILE A 1 254 ? 84.661 10.787 89.329 1.00 19.69 ? 242 ILE H N 1 ATOM 4102 C CA . ILE A 1 254 ? 84.017 11.856 88.593 1.00 21.86 ? 242 ILE H CA 1 ATOM 4103 C C . ILE A 1 254 ? 84.902 13.113 88.576 1.00 23.54 ? 242 ILE H C 1 ATOM 4104 O O . ILE A 1 254 ? 85.024 13.764 87.544 1.00 24.93 ? 242 ILE H O 1 ATOM 4105 C CB . ILE A 1 254 ? 82.612 12.132 89.142 1.00 22.35 ? 242 ILE H CB 1 ATOM 4106 C CG1 . ILE A 1 254 ? 81.722 10.895 88.892 1.00 23.13 ? 242 ILE H CG1 1 ATOM 4107 C CG2 . ILE A 1 254 ? 82.016 13.378 88.479 1.00 23.63 ? 242 ILE H CG2 1 ATOM 4108 C CD1 . ILE A 1 254 ? 80.365 10.918 89.566 1.00 23.72 ? 242 ILE H CD1 1 ATOM 4109 H H . ILE A 1 254 ? 84.262 10.554 90.054 1.00 23.63 ? 242 ILE H H 1 ATOM 4110 H HA . ILE A 1 254 ? 83.912 11.569 87.673 1.00 26.24 ? 242 ILE H HA 1 ATOM 4111 H HB . ILE A 1 254 ? 82.673 12.285 90.098 1.00 26.81 ? 242 ILE H HB 1 ATOM 4112 H HG12 . ILE A 1 254 ? 81.570 10.815 87.937 1.00 27.75 ? 242 ILE H HG12 1 ATOM 4113 H HG13 . ILE A 1 254 ? 82.192 10.110 89.211 1.00 27.75 ? 242 ILE H HG13 1 ATOM 4114 H HG21 . ILE A 1 254 ? 81.963 13.231 87.521 1.00 28.36 ? 242 ILE H HG21 1 ATOM 4115 H HG22 . ILE A 1 254 ? 81.129 13.534 88.839 1.00 28.36 ? 242 ILE H HG22 1 ATOM 4116 H HG23 . ILE A 1 254 ? 82.588 14.139 88.666 1.00 28.36 ? 242 ILE H HG23 1 ATOM 4117 H HD11 . ILE A 1 254 ? 79.867 11.687 89.248 1.00 28.46 ? 242 ILE H HD11 1 ATOM 4118 H HD12 . ILE A 1 254 ? 79.890 10.101 89.346 1.00 28.46 ? 242 ILE H HD12 1 ATOM 4119 H HD13 . ILE A 1 254 ? 80.491 10.979 90.526 1.00 28.46 ? 242 ILE H HD13 1 ATOM 4120 N N . ASP A 1 255 ? 85.552 13.434 89.693 1.00 24.96 ? 243 ASP H N 1 ATOM 4121 C CA . ASP A 1 255 ? 86.422 14.614 89.750 1.00 28.08 ? 243 ASP H CA 1 ATOM 4122 C C . ASP A 1 255 ? 87.611 14.460 88.815 1.00 29.18 ? 243 ASP H C 1 ATOM 4123 O O . ASP A 1 255 ? 88.034 15.428 88.201 1.00 30.36 ? 243 ASP H O 1 ATOM 4124 C CB . ASP A 1 255 ? 86.931 14.861 91.174 1.00 31.27 ? 243 ASP H CB 1 ATOM 4125 C CG . ASP A 1 255 ? 85.849 15.384 92.116 1.00 34.45 ? 243 ASP H CG 1 ATOM 4126 O OD1 . ASP A 1 255 ? 84.747 15.738 91.650 1.00 35.42 ? 243 ASP H OD1 1 ATOM 4127 O OD2 . ASP A 1 255 ? 86.109 15.442 93.338 1.00 35.99 ? 243 ASP H OD2 1 ATOM 4128 H H . ASP A 1 255 ? 85.509 12.990 90.428 1.00 29.96 ? 243 ASP H H 1 ATOM 4129 H HA . ASP A 1 255 ? 85.917 15.393 89.470 1.00 33.70 ? 243 ASP H HA 1 ATOM 4130 H HB2 . ASP A 1 255 ? 87.267 14.027 91.538 1.00 37.53 ? 243 ASP H HB2 1 ATOM 4131 H HB3 . ASP A 1 255 ? 87.644 15.519 91.144 1.00 37.53 ? 243 ASP H HB3 1 ATOM 4132 N N . GLN A 1 256 ? 88.165 13.254 88.728 1.00 29.51 ? 244 GLN H N 1 ATOM 4133 C CA . GLN A 1 256 ? 89.385 13.021 87.955 1.00 30.29 ? 244 GLN H CA 1 ATOM 4134 C C . GLN A 1 256 ? 89.099 12.903 86.459 1.00 31.14 ? 244 GLN H C 1 ATOM 4135 O O . GLN A 1 256 ? 89.864 13.386 85.627 1.00 32.08 ? 244 GLN H O 1 ATOM 4136 C CB . GLN A 1 256 ? 90.075 11.747 88.439 1.00 30.57 ? 244 GLN H CB 1 ATOM 4137 H H . GLN A 1 256 ? 87.853 12.549 89.109 1.00 35.41 ? 244 GLN H H 1 ATOM 4138 H HA . GLN A 1 256 ? 89.993 13.765 88.089 1.00 36.34 ? 244 GLN H HA 1 ATOM 4139 N N . PHE A 1 257 ? 87.983 12.263 86.128 1.00 32.55 ? 245 PHE H N 1 ATOM 4140 C CA . PHE A 1 257 ? 87.723 11.829 84.762 1.00 35.65 ? 245 PHE H CA 1 ATOM 4141 C C . PHE A 1 257 ? 86.517 12.508 84.142 1.00 38.66 ? 245 PHE H C 1 ATOM 4142 O O . PHE A 1 257 ? 86.253 12.330 82.956 1.00 39.21 ? 245 PHE H O 1 ATOM 4143 C CB . PHE A 1 257 ? 87.496 10.315 84.738 1.00 36.15 ? 245 PHE H CB 1 ATOM 4144 C CG . PHE A 1 257 ? 88.693 9.516 85.165 1.00 36.42 ? 245 PHE H CG 1 ATOM 4145 C CD1 . PHE A 1 257 ? 89.817 9.441 84.357 1.00 37.30 ? 245 PHE H CD1 1 ATOM 4146 C CD2 . PHE A 1 257 ? 88.699 8.842 86.375 1.00 36.91 ? 245 PHE H CD2 1 ATOM 4147 C CE1 . PHE A 1 257 ? 90.925 8.703 84.745 1.00 37.65 ? 245 PHE H CE1 1 ATOM 4148 C CE2 . PHE A 1 257 ? 89.807 8.101 86.768 1.00 37.49 ? 245 PHE H CE2 1 ATOM 4149 C CZ . PHE A 1 257 ? 90.920 8.035 85.948 1.00 38.09 ? 245 PHE H CZ 1 ATOM 4150 H H . PHE A 1 257 ? 87.356 12.067 86.682 1.00 39.05 ? 245 PHE H H 1 ATOM 4151 H HA . PHE A 1 257 ? 88.498 12.028 84.212 1.00 42.78 ? 245 PHE H HA 1 ATOM 4152 H HB2 . PHE A 1 257 ? 86.766 10.100 85.339 1.00 43.38 ? 245 PHE H HB2 1 ATOM 4153 H HB3 . PHE A 1 257 ? 87.268 10.048 83.834 1.00 43.38 ? 245 PHE H HB3 1 ATOM 4154 H HD1 . PHE A 1 257 ? 87.953 8.883 86.928 1.00 44.30 ? 245 PHE H HD1 1 ATOM 4155 H HD2 . PHE A 1 257 ? 89.826 9.889 83.542 1.00 44.76 ? 245 PHE H HD2 1 ATOM 4156 H HE1 . PHE A 1 257 ? 89.802 7.651 87.582 1.00 44.99 ? 245 PHE H HE1 1 ATOM 4157 H HE2 . PHE A 1 257 ? 91.672 8.661 84.192 1.00 45.18 ? 245 PHE H HE2 1 ATOM 4158 H HZ . PHE A 1 257 ? 91.663 7.541 86.210 1.00 45.71 ? 245 PHE H HZ 1 ATOM 4159 N N . GLY A 1 258 ? 85.784 13.276 84.940 1.00 41.02 ? 246 GLY H N 1 ATOM 4160 C CA . GLY A 1 258 ? 84.570 13.914 84.468 1.00 44.07 ? 246 GLY H CA 1 ATOM 4161 C C . GLY A 1 258 ? 84.880 15.190 83.716 1.00 46.67 ? 246 GLY H C 1 ATOM 4162 O O . GLY A 1 258 ? 84.108 15.624 82.862 1.00 48.25 ? 246 GLY H O 1 ATOM 4163 O OXT . GLY A 1 258 ? 85.913 15.816 83.940 1.00 47.43 ? 246 GLY H OXT 1 ATOM 4164 H H . GLY A 1 258 ? 85.972 13.442 85.763 1.00 49.23 ? 246 GLY H H 1 ATOM 4165 H HA2 . GLY A 1 258 ? 84.093 13.312 83.877 1.00 52.89 ? 246 GLY H HA2 1 ATOM 4166 H HA3 . GLY A 1 258 ? 83.999 14.128 85.222 1.00 52.89 ? 246 GLY H HA3 1 ATOM 4167 C C . GLY B 2 1 ? 64.684 -12.580 70.579 1.00 38.18 ? 554 GLY I C 1 ATOM 4168 O O . GLY B 2 1 ? 63.895 -12.240 69.699 1.00 39.11 ? 554 GLY I O 1 ATOM 4169 N N . ASP B 2 2 ? 64.491 -12.286 71.857 1.00 37.71 ? 555 ASP I N 1 ATOM 4170 C CA . ASP B 2 2 ? 63.198 -11.798 72.329 1.00 36.01 ? 555 ASP I CA 1 ATOM 4171 C C . ASP B 2 2 ? 63.123 -10.268 72.282 1.00 32.66 ? 555 ASP I C 1 ATOM 4172 O O . ASP B 2 2 ? 62.055 -9.684 72.434 1.00 32.97 ? 555 ASP I O 1 ATOM 4173 C CB . ASP B 2 2 ? 62.921 -12.311 73.741 1.00 36.76 ? 555 ASP I CB 1 ATOM 4174 N N . PHE B 2 3 ? 64.266 -9.632 72.050 1.00 28.33 ? 556 PHE I N 1 ATOM 4175 C CA . PHE B 2 3 ? 64.330 -8.179 71.983 1.00 25.57 ? 556 PHE I CA 1 ATOM 4176 C C . PHE B 2 3 ? 64.129 -7.649 70.565 1.00 24.83 ? 556 PHE I C 1 ATOM 4177 O O . PHE B 2 3 ? 64.638 -8.209 69.596 1.00 25.90 ? 556 PHE I O 1 ATOM 4178 C CB . PHE B 2 3 ? 65.657 -7.681 72.546 1.00 24.61 ? 556 PHE I CB 1 ATOM 4179 C CG . PHE B 2 3 ? 65.754 -7.811 74.041 1.00 24.00 ? 556 PHE I CG 1 ATOM 4180 C CD1 . PHE B 2 3 ? 66.044 -9.035 74.623 1.00 24.89 ? 556 PHE I CD1 1 ATOM 4181 C CD2 . PHE B 2 3 ? 65.522 -6.722 74.871 1.00 23.57 ? 556 PHE I CD2 1 ATOM 4182 C CE1 . PHE B 2 3 ? 66.118 -9.158 76.012 1.00 25.45 ? 556 PHE I CE1 1 ATOM 4183 C CE2 . PHE B 2 3 ? 65.605 -6.847 76.257 1.00 23.66 ? 556 PHE I CE2 1 ATOM 4184 C CZ . PHE B 2 3 ? 65.901 -8.065 76.822 1.00 25.07 ? 556 PHE I CZ 1 ATOM 4185 N N . GLU B 2 4 ? 63.366 -6.574 70.446 1.00 23.70 ? 557 GLU I N 1 ATOM 4186 C CA . GLU B 2 4 ? 63.238 -5.881 69.175 1.00 23.52 ? 557 GLU I CA 1 ATOM 4187 C C . GLU B 2 4 ? 64.592 -5.321 68.757 1.00 24.48 ? 557 GLU I C 1 ATOM 4188 O O . GLU B 2 4 ? 65.360 -4.843 69.599 1.00 23.83 ? 557 GLU I O 1 ATOM 4189 C CB . GLU B 2 4 ? 62.197 -4.768 69.288 1.00 23.35 ? 557 GLU I CB 1 ATOM 4190 C CG . GLU B 2 4 ? 61.952 -4.032 67.972 1.00 23.62 ? 557 GLU I CG 1 ATOM 4191 C CD . GLU B 2 4 ? 60.813 -3.032 68.040 1.00 23.51 ? 557 GLU I CD 1 ATOM 4192 O OE1 . GLU B 2 4 ? 60.333 -2.741 69.146 1.00 23.82 ? 557 GLU I OE1 1 ATOM 4193 O OE2 . GLU B 2 4 ? 60.397 -2.511 66.991 1.00 23.45 ? 557 GLU I OE2 1 ATOM 4194 N N . GLU B 2 5 ? 64.913 -5.448 67.470 1.00 27.21 ? 558 GLU I N 1 ATOM 4195 C CA . GLU B 2 5 ? 66.150 -4.906 66.933 1.00 29.77 ? 558 GLU I CA 1 ATOM 4196 C C . GLU B 2 5 ? 66.229 -3.419 67.215 1.00 31.28 ? 558 GLU I C 1 ATOM 4197 O O . GLU B 2 5 ? 65.239 -2.702 67.089 1.00 31.85 ? 558 GLU I O 1 ATOM 4198 C CB . GLU B 2 5 ? 66.222 -5.149 65.422 1.00 30.84 ? 558 GLU I CB 1 ATOM 4199 N N . ILE B 2 6 ? 67.394 -2.959 67.647 1.00 32.28 ? 559 ILE I N 1 ATOM 4200 C CA . ILE B 2 6 ? 67.583 -1.532 67.816 1.00 32.25 ? 559 ILE I CA 1 ATOM 4201 C C . ILE B 2 6 ? 68.150 -0.976 66.519 1.00 32.37 ? 559 ILE I C 1 ATOM 4202 O O . ILE B 2 6 ? 68.640 -1.736 65.673 1.00 33.03 ? 559 ILE I O 1 ATOM 4203 C CB . ILE B 2 6 ? 68.476 -1.189 69.029 1.00 31.69 ? 559 ILE I CB 1 ATOM 4204 C CG1 . ILE B 2 6 ? 69.895 -1.722 68.832 1.00 31.36 ? 559 ILE I CG1 1 ATOM 4205 C CG2 . ILE B 2 6 ? 67.876 -1.753 70.314 1.00 31.72 ? 559 ILE I CG2 1 ATOM 4206 C CD1 . ILE B 2 6 ? 70.828 -1.334 69.970 1.00 32.05 ? 559 ILE I CD1 1 ATOM 4207 N N . PRO B 2 7 ? 68.040 0.344 66.324 1.00 32.62 ? 560 PRO I N 1 ATOM 4208 C CA . PRO B 2 7 ? 68.576 0.977 65.116 1.00 32.73 ? 560 PRO I CA 1 ATOM 4209 C C . PRO B 2 7 ? 70.061 0.679 64.941 1.00 32.88 ? 560 PRO I C 1 ATOM 4210 O O . PRO B 2 7 ? 70.844 0.707 65.891 1.00 32.46 ? 560 PRO I O 1 ATOM 4211 C CB . PRO B 2 7 ? 68.338 2.464 65.375 1.00 33.49 ? 560 PRO I CB 1 ATOM 4212 C CG . PRO B 2 7 ? 67.126 2.484 66.242 1.00 34.39 ? 560 PRO I CG 1 ATOM 4213 C CD . PRO B 2 7 ? 67.305 1.304 67.169 1.00 33.36 ? 560 PRO I CD 1 ATOM 4214 N N . GLU B 2 8 ? 70.441 0.390 63.703 1.00 33.31 ? 561 GLU I N 1 ATOM 4215 C CA . GLU B 2 8 ? 71.805 -0.017 63.398 1.00 34.15 ? 561 GLU I CA 1 ATOM 4216 C C . GLU B 2 8 ? 72.834 1.049 63.751 1.00 34.78 ? 561 GLU I C 1 ATOM 4217 O O . GLU B 2 8 ? 73.983 0.733 64.020 1.00 35.22 ? 561 GLU I O 1 ATOM 4218 C CB . GLU B 2 8 ? 71.931 -0.403 61.914 1.00 35.40 ? 561 GLU I CB 1 ATOM 4219 N N . GLU B 2 9 ? 72.419 2.311 63.772 1.00 35.35 ? 562 GLU I N 1 ATOM 4220 C CA . GLU B 2 9 ? 73.326 3.396 64.137 1.00 36.48 ? 562 GLU I CA 1 ATOM 4221 C C . GLU B 2 9 ? 73.980 3.208 65.512 1.00 35.99 ? 562 GLU I C 1 ATOM 4222 O O . GLU B 2 9 ? 75.064 3.731 65.761 1.00 38.05 ? 562 GLU I O 1 ATOM 4223 C CB . GLU B 2 9 ? 72.592 4.733 64.108 1.00 39.08 ? 562 GLU I CB 1 ATOM 4224 C CG . GLU B 2 9 ? 71.457 4.834 65.108 1.00 41.25 ? 562 GLU I CG 1 ATOM 4225 C CD . GLU B 2 9 ? 70.505 5.970 64.795 1.00 43.91 ? 562 GLU I CD 1 ATOM 4226 O OE1 . GLU B 2 9 ? 69.672 5.812 63.878 1.00 45.72 ? 562 GLU I OE1 1 ATOM 4227 O OE2 . GLU B 2 9 ? 70.582 7.018 65.471 1.00 44.86 ? 562 GLU I OE2 1 HETATM 4228 N N . TYS B 2 10 ? 73.328 2.473 66.410 1.00 33.44 ? 563 TYS I N 1 HETATM 4229 C CA . TYS B 2 10 ? 73.893 2.283 67.743 1.00 33.33 ? 563 TYS I CA 1 HETATM 4230 C CB . TYS B 2 10 ? 72.768 2.143 68.761 1.00 31.72 ? 563 TYS I CB 1 HETATM 4231 C CG . TYS B 2 10 ? 71.820 3.261 68.781 1.00 29.04 ? 563 TYS I CG 1 HETATM 4232 C CD1 . TYS B 2 10 ? 72.214 4.499 69.189 1.00 27.57 ? 563 TYS I CD1 1 HETATM 4233 C CD2 . TYS B 2 10 ? 70.479 3.021 68.364 1.00 28.47 ? 563 TYS I CD2 1 HETATM 4234 C CE1 . TYS B 2 10 ? 71.264 5.570 69.201 1.00 26.92 ? 563 TYS I CE1 1 HETATM 4235 C CE2 . TYS B 2 10 ? 69.559 4.061 68.369 1.00 27.63 ? 563 TYS I CE2 1 HETATM 4236 C CZ . TYS B 2 10 ? 69.937 5.327 68.775 1.00 26.40 ? 563 TYS I CZ 1 HETATM 4237 O OH . TYS B 2 10 ? 68.960 6.348 68.796 1.00 25.24 ? 563 TYS I OH 1 HETATM 4238 S S . TYS B 2 10 ? 68.177 6.614 70.066 1.00 24.42 ? 563 TYS I S 1 HETATM 4239 O O1 . TYS B 2 10 ? 67.297 7.643 69.629 1.00 24.87 ? 563 TYS I O1 1 HETATM 4240 O O2 . TYS B 2 10 ? 67.459 5.436 70.566 1.00 25.12 ? 563 TYS I O2 1 HETATM 4241 O O3 . TYS B 2 10 ? 69.163 7.095 71.100 1.00 22.43 ? 563 TYS I O3 1 HETATM 4242 C C . TYS B 2 10 ? 74.812 1.107 67.847 1.00 34.99 ? 563 TYS I C 1 HETATM 4243 O O . TYS B 2 10 ? 75.391 0.852 68.923 1.00 34.86 ? 563 TYS I O 1 ATOM 4244 N N . LEU B 2 11 ? 74.984 0.381 66.746 1.00 37.43 ? 564 LEU I N 1 ATOM 4245 C CA . LEU B 2 11 ? 75.837 -0.803 66.762 1.00 41.06 ? 564 LEU I CA 1 ATOM 4246 C C . LEU B 2 11 ? 77.103 -0.603 65.931 1.00 43.36 ? 564 LEU I C 1 ATOM 4247 O O . LEU B 2 11 ? 78.009 -1.435 65.943 1.00 44.36 ? 564 LEU I O 1 ATOM 4248 C CB . LEU B 2 11 ? 75.061 -2.051 66.295 1.00 42.78 ? 564 LEU I CB 1 ATOM 4249 C CG . LEU B 2 11 ? 73.782 -2.208 67.120 1.00 43.60 ? 564 LEU I CG 1 ATOM 4250 C CD2 . LEU B 2 11 ? 72.928 -3.381 66.701 1.00 44.34 ? 564 LEU I CD2 1 ATOM 4251 N N . GLN B 2 12 ? 77.170 0.519 65.226 1.00 44.67 ? 565 GLN I N 1 ATOM 4252 C CA . GLN B 2 12 ? 78.312 0.799 64.362 1.00 45.69 ? 565 GLN I CA 1 ATOM 4253 C C . GLN B 2 12 ? 79.563 1.117 65.173 1.00 46.70 ? 565 GLN I C 1 ATOM 4254 O O . GLN B 2 12 ? 79.475 1.583 66.311 1.00 47.90 ? 565 GLN I O 1 ATOM 4255 C CB . GLN B 2 12 ? 77.992 1.947 63.399 1.00 45.90 ? 565 GLN I CB 1 ATOM 4256 N N . GLU C 3 1 C 73.420 16.622 90.571 1.00 37.84 ? 1 GLU L N 1 ATOM 4257 C CA . GLU C 3 1 C 72.963 17.870 89.978 1.00 34.90 ? 1 GLU L CA 1 ATOM 4258 C C . GLU C 3 1 C 71.907 18.573 90.833 1.00 31.23 ? 1 GLU L C 1 ATOM 4259 O O . GLU C 3 1 C 71.237 17.955 91.673 1.00 28.59 ? 1 GLU L O 1 ATOM 4260 C CB . GLU C 3 1 C 72.416 17.619 88.568 1.00 35.36 ? 1 GLU L CB 1 ATOM 4261 H HA . GLU C 3 1 C 73.721 18.470 89.896 1.00 41.88 ? 1 GLU L HA 1 ATOM 4262 N N . ALA C 3 2 B 71.760 19.875 90.583 1.00 30.07 ? 1 ALA L N 1 ATOM 4263 C CA . ALA C 3 2 B 70.846 20.732 91.339 1.00 27.32 ? 1 ALA L CA 1 ATOM 4264 C C . ALA C 3 2 B 69.408 20.204 91.335 1.00 22.78 ? 1 ALA L C 1 ATOM 4265 O O . ALA C 3 2 B 68.682 20.365 92.304 1.00 21.78 ? 1 ALA L O 1 ATOM 4266 C CB . ALA C 3 2 B 70.892 22.164 90.791 1.00 29.06 ? 1 ALA L CB 1 ATOM 4267 H H . ALA C 3 2 B 72.190 20.294 89.967 1.00 36.09 ? 1 ALA L H 1 ATOM 4268 H HA . ALA C 3 2 B 71.144 20.762 92.261 1.00 32.79 ? 1 ALA L HA 1 ATOM 4269 H HB1 . ALA C 3 2 B 70.626 22.153 89.858 1.00 34.87 ? 1 ALA L HB1 1 ATOM 4270 H HB2 . ALA C 3 2 B 70.281 22.717 91.302 1.00 34.87 ? 1 ALA L HB2 1 ATOM 4271 H HB3 . ALA C 3 2 B 71.796 22.505 90.874 1.00 34.87 ? 1 ALA L HB3 1 ATOM 4272 N N . ASP C 3 3 A 69.008 19.579 90.238 1.00 20.53 ? 1 ASP L N 1 ATOM 4273 C CA . ASP C 3 3 A 67.648 19.127 90.070 1.00 18.01 ? 1 ASP L CA 1 ATOM 4274 C C . ASP C 3 3 A 67.469 17.607 90.282 1.00 13.93 ? 1 ASP L C 1 ATOM 4275 O O . ASP C 3 3 A 66.431 17.016 89.923 1.00 14.00 ? 1 ASP L O 1 ATOM 4276 C CB . ASP C 3 3 A 67.233 19.530 88.670 1.00 22.15 ? 1 ASP L CB 1 ATOM 4277 C CG . ASP C 3 3 A 65.784 19.675 88.534 1.00 25.30 ? 1 ASP L CG 1 ATOM 4278 O OD1 . ASP C 3 3 A 65.140 20.136 89.502 1.00 26.59 ? 1 ASP L OD1 1 ATOM 4279 O OD2 . ASP C 3 3 A 65.293 19.371 87.431 1.00 25.97 ? 1 ASP L OD2 1 ATOM 4280 H H . ASP C 3 3 A 69.519 19.404 89.568 1.00 24.64 ? 1 ASP L H 1 ATOM 4281 H HA . ASP C 3 3 A 67.076 19.591 90.703 1.00 21.61 ? 1 ASP L HA 1 ATOM 4282 H HB2 . ASP C 3 3 A 67.642 20.381 88.450 1.00 26.58 ? 1 ASP L HB2 1 ATOM 4283 H HB3 . ASP C 3 3 A 67.526 18.849 88.045 1.00 26.58 ? 1 ASP L HB3 1 ATOM 4284 N N . CYS C 3 4 ? 68.477 16.979 90.853 1.00 12.47 ? 1 CYS L N 1 ATOM 4285 C CA . CYS C 3 4 ? 68.434 15.538 90.965 1.00 11.21 ? 1 CYS L CA 1 ATOM 4286 C C . CYS C 3 4 ? 67.251 15.059 91.794 1.00 9.45 ? 1 CYS L C 1 ATOM 4287 O O . CYS C 3 4 ? 66.804 15.741 92.712 1.00 9.93 ? 1 CYS L O 1 ATOM 4288 C CB . CYS C 3 4 ? 69.749 14.993 91.563 1.00 12.37 ? 1 CYS L CB 1 ATOM 4289 S SG . CYS C 3 4 ? 70.062 15.434 93.301 1.00 12.58 ? 1 CYS L SG 1 ATOM 4290 H H . CYS C 3 4 ? 69.182 17.352 91.175 1.00 14.96 ? 1 CYS L H 1 ATOM 4291 H HA . CYS C 3 4 ? 68.339 15.162 90.076 1.00 13.46 ? 1 CYS L HA 1 ATOM 4292 H HB2 . CYS C 3 4 ? 69.733 14.024 91.508 1.00 14.85 ? 1 CYS L HB2 1 ATOM 4293 H HB3 . CYS C 3 4 ? 70.489 15.335 91.038 1.00 14.85 ? 1 CYS L HB3 1 ATOM 4294 N N . GLY C 3 5 ? 66.750 13.878 91.457 1.00 8.86 ? 2 GLY L N 1 ATOM 4295 C CA . GLY C 3 5 ? 65.784 13.222 92.300 1.00 8.66 ? 2 GLY L CA 1 ATOM 4296 C C . GLY C 3 5 ? 64.375 13.777 92.292 1.00 8.34 ? 2 GLY L C 1 ATOM 4297 O O . GLY C 3 5 ? 63.564 13.352 93.118 1.00 8.96 ? 2 GLY L O 1 ATOM 4298 H H . GLY C 3 5 ? 66.957 13.442 90.745 1.00 10.64 ? 2 GLY L H 1 ATOM 4299 H HA2 . GLY C 3 5 ? 65.731 12.290 92.038 1.00 10.39 ? 2 GLY L HA2 1 ATOM 4300 H HA3 . GLY C 3 5 ? 66.104 13.253 93.215 1.00 10.39 ? 2 GLY L HA3 1 ATOM 4301 N N . LEU C 3 6 ? 64.092 14.686 91.368 1.00 8.82 ? 3 LEU L N 1 ATOM 4302 C CA . LEU C 3 6 ? 62.779 15.292 91.235 1.00 8.72 ? 3 LEU L CA 1 ATOM 4303 C C . LEU C 3 6 ? 62.257 14.865 89.873 1.00 9.07 ? 3 LEU L C 1 ATOM 4304 O O . LEU C 3 6 ? 62.804 15.246 88.850 1.00 11.35 ? 3 LEU L O 1 ATOM 4305 C CB . LEU C 3 6 ? 62.875 16.809 91.343 1.00 10.40 ? 3 LEU L CB 1 ATOM 4306 C CG . LEU C 3 6 ? 63.344 17.340 92.694 1.00 11.79 ? 3 LEU L CG 1 ATOM 4307 C CD1 . LEU C 3 6 ? 63.581 18.847 92.591 1.00 13.89 ? 3 LEU L CD1 1 ATOM 4308 C CD2 . LEU C 3 6 ? 62.346 16.994 93.795 1.00 13.05 ? 3 LEU L CD2 1 ATOM 4309 H H . LEU C 3 6 ? 64.661 14.974 90.791 1.00 10.58 ? 3 LEU L H 1 ATOM 4310 H HA . LEU C 3 6 ? 62.184 14.959 91.925 1.00 10.47 ? 3 LEU L HA 1 ATOM 4311 H HB2 . LEU C 3 6 ? 63.500 17.126 90.673 1.00 12.47 ? 3 LEU L HB2 1 ATOM 4312 H HB3 . LEU C 3 6 ? 61.997 17.186 91.171 1.00 12.47 ? 3 LEU L HB3 1 ATOM 4313 H HG . LEU C 3 6 ? 64.190 16.922 92.918 1.00 14.15 ? 3 LEU L HG 1 ATOM 4314 H HD11 . LEU C 3 6 ? 62.751 19.280 92.338 1.00 16.66 ? 3 LEU L HD11 1 ATOM 4315 H HD12 . LEU C 3 6 ? 63.879 19.179 93.452 1.00 16.66 ? 3 LEU L HD12 1 ATOM 4316 H HD13 . LEU C 3 6 ? 64.260 19.014 91.919 1.00 16.66 ? 3 LEU L HD13 1 ATOM 4317 H HD21 . LEU C 3 6 ? 62.259 16.029 93.849 1.00 15.66 ? 3 LEU L HD21 1 ATOM 4318 H HD22 . LEU C 3 6 ? 62.673 17.344 94.638 1.00 15.66 ? 3 LEU L HD22 1 ATOM 4319 H HD23 . LEU C 3 6 ? 61.489 17.393 93.580 1.00 15.66 ? 3 LEU L HD23 1 ATOM 4320 N N . ARG C 3 7 ? 61.223 14.034 89.856 1.00 8.62 ? 4 ARG L N 1 ATOM 4321 C CA . ARG C 3 7 ? 60.783 13.420 88.595 1.00 8.96 ? 4 ARG L CA 1 ATOM 4322 C C . ARG C 3 7 ? 59.866 14.354 87.829 1.00 8.86 ? 4 ARG L C 1 ATOM 4323 O O . ARG C 3 7 ? 58.909 14.890 88.390 1.00 8.90 ? 4 ARG L O 1 ATOM 4324 C CB . ARG C 3 7 ? 60.018 12.128 88.883 1.00 8.23 ? 4 ARG L CB 1 ATOM 4325 C CG . ARG C 3 7 ? 60.870 11.096 89.633 1.00 7.96 ? 4 ARG L CG 1 ATOM 4326 C CD . ARG C 3 7 ? 60.062 9.912 90.069 1.00 8.30 ? 4 ARG L CD 1 ATOM 4327 N NE . ARG C 3 7 ? 59.114 10.298 91.110 1.00 7.95 ? 4 ARG L NE 1 ATOM 4328 C CZ . ARG C 3 7 ? 58.243 9.467 91.675 1.00 8.07 ? 4 ARG L CZ 1 ATOM 4329 N NH1 . ARG C 3 7 ? 58.141 8.219 91.266 1.00 8.54 ? 4 ARG L NH1 1 ATOM 4330 N NH2 . ARG C 3 7 ? 57.434 9.923 92.625 1.00 7.90 ? 4 ARG L NH2 1 ATOM 4331 H H . ARG C 3 7 ? 60.761 13.808 90.545 1.00 10.34 ? 4 ARG L H 1 ATOM 4332 H HA . ARG C 3 7 ? 61.553 13.214 88.042 1.00 10.75 ? 4 ARG L HA 1 ATOM 4333 H HB2 . ARG C 3 7 ? 59.244 12.333 89.430 1.00 9.88 ? 4 ARG L HB2 1 ATOM 4334 H HB3 . ARG C 3 7 ? 59.737 11.732 88.043 1.00 9.88 ? 4 ARG L HB3 1 ATOM 4335 H HG2 . ARG C 3 7 ? 61.577 10.781 89.049 1.00 9.55 ? 4 ARG L HG2 1 ATOM 4336 H HG3 . ARG C 3 7 ? 61.249 11.510 90.424 1.00 9.55 ? 4 ARG L HG3 1 ATOM 4337 H HD2 . ARG C 3 7 ? 59.563 9.564 89.313 1.00 9.96 ? 4 ARG L HD2 1 ATOM 4338 H HD3 . ARG C 3 7 ? 60.652 9.231 90.428 1.00 9.96 ? 4 ARG L HD3 1 ATOM 4339 H HE . ARG C 3 7 ? 59.120 11.117 91.375 1.00 9.54 ? 4 ARG L HE 1 ATOM 4340 H HH11 . ARG C 3 7 ? 58.664 7.924 90.651 1.00 10.24 ? 4 ARG L HH11 1 ATOM 4341 H HH12 . ARG C 3 7 ? 57.567 7.693 91.631 1.00 10.24 ? 4 ARG L HH12 1 ATOM 4342 H HH21 . ARG C 3 7 ? 57.492 10.741 92.883 1.00 9.49 ? 4 ARG L HH21 1 ATOM 4343 H HH22 . ARG C 3 7 ? 56.855 9.398 92.984 1.00 9.49 ? 4 ARG L HH22 1 ATOM 4344 N N . PRO C 3 8 ? 60.109 14.538 86.523 1.00 9.25 ? 5 PRO L N 1 ATOM 4345 C CA . PRO C 3 8 ? 59.235 15.388 85.708 1.00 10.14 ? 5 PRO L CA 1 ATOM 4346 C C . PRO C 3 8 ? 57.743 15.058 85.809 1.00 9.94 ? 5 PRO L C 1 ATOM 4347 O O . PRO C 3 8 ? 56.911 15.972 85.813 1.00 10.92 ? 5 PRO L O 1 ATOM 4348 C CB . PRO C 3 8 ? 59.765 15.131 84.291 1.00 11.20 ? 5 PRO L CB 1 ATOM 4349 C CG . PRO C 3 8 ? 61.220 14.915 84.507 1.00 11.07 ? 5 PRO L CG 1 ATOM 4350 C CD . PRO C 3 8 ? 61.311 14.110 85.789 1.00 10.33 ? 5 PRO L CD 1 ATOM 4351 H HA . PRO C 3 8 ? 59.371 16.322 85.935 1.00 12.17 ? 5 PRO L HA 1 ATOM 4352 H HB2 . PRO C 3 8 ? 59.346 14.340 83.918 1.00 13.44 ? 5 PRO L HB2 1 ATOM 4353 H HB3 . PRO C 3 8 ? 59.607 15.908 83.731 1.00 13.44 ? 5 PRO L HB3 1 ATOM 4354 H HG2 . PRO C 3 8 ? 61.591 14.416 83.761 1.00 13.29 ? 5 PRO L HG2 1 ATOM 4355 H HG3 . PRO C 3 8 ? 61.667 15.770 84.605 1.00 13.29 ? 5 PRO L HG3 1 ATOM 4356 H HD2 . PRO C 3 8 ? 61.273 13.160 85.598 1.00 12.40 ? 5 PRO L HD2 1 ATOM 4357 H HD3 . PRO C 3 8 ? 62.113 14.345 86.282 1.00 12.40 ? 5 PRO L HD3 1 ATOM 4358 N N . LEU C 3 9 ? 57.387 13.775 85.857 1.00 9.78 ? 6 LEU L N 1 ATOM 4359 C CA . LEU C 3 9 ? 55.992 13.385 85.835 1.00 9.78 ? 6 LEU L CA 1 ATOM 4360 C C . LEU C 3 9 ? 55.369 13.240 87.218 1.00 9.55 ? 6 LEU L C 1 ATOM 4361 O O . LEU C 3 9 ? 54.183 12.955 87.335 1.00 10.33 ? 6 LEU L O 1 ATOM 4362 C CB . LEU C 3 9 ? 55.805 12.133 84.989 1.00 10.13 ? 6 LEU L CB 1 ATOM 4363 C CG . LEU C 3 9 ? 56.135 12.308 83.508 1.00 10.90 ? 6 LEU L CG 1 ATOM 4364 C CD1 . LEU C 3 9 ? 55.912 11.010 82.756 1.00 12.64 ? 6 LEU L CD1 1 ATOM 4365 C CD2 . LEU C 3 9 ? 55.330 13.427 82.886 1.00 13.51 ? 6 LEU L CD2 1 ATOM 4366 H H . LEU C 3 9 ? 57.938 13.116 85.902 1.00 11.73 ? 6 LEU L H 1 ATOM 4367 H HA . LEU C 3 9 ? 55.502 14.093 85.389 1.00 11.73 ? 6 LEU L HA 1 ATOM 4368 H HB2 . LEU C 3 9 ? 56.381 11.434 85.338 1.00 12.15 ? 6 LEU L HB2 1 ATOM 4369 H HB3 . LEU C 3 9 ? 54.878 11.853 85.052 1.00 12.15 ? 6 LEU L HB3 1 ATOM 4370 H HG . LEU C 3 9 ? 57.073 12.539 83.425 1.00 13.08 ? 6 LEU L HG 1 ATOM 4371 H HD11 . LEU C 3 9 ? 54.982 10.749 82.847 1.00 15.16 ? 6 LEU L HD11 1 ATOM 4372 H HD12 . LEU C 3 9 ? 56.128 11.147 81.821 1.00 15.16 ? 6 LEU L HD12 1 ATOM 4373 H HD13 . LEU C 3 9 ? 56.487 10.325 83.132 1.00 15.16 ? 6 LEU L HD13 1 ATOM 4374 H HD21 . LEU C 3 9 ? 55.531 14.255 83.349 1.00 16.21 ? 6 LEU L HD21 1 ATOM 4375 H HD22 . LEU C 3 9 ? 55.569 13.504 81.949 1.00 16.21 ? 6 LEU L HD22 1 ATOM 4376 H HD23 . LEU C 3 9 ? 54.386 13.221 82.971 1.00 16.21 ? 6 LEU L HD23 1 ATOM 4377 N N . PHE C 3 10 ? 56.153 13.503 88.261 1.00 9.18 ? 7 PHE L N 1 ATOM 4378 C CA . PHE C 3 10 ? 55.678 13.364 89.642 1.00 8.83 ? 7 PHE L CA 1 ATOM 4379 C C . PHE C 3 10 ? 56.010 14.621 90.436 1.00 8.92 ? 7 PHE L C 1 ATOM 4380 O O . PHE C 3 10 ? 55.204 15.562 90.423 1.00 10.02 ? 7 PHE L O 1 ATOM 4381 C CB . PHE C 3 10 ? 56.166 12.028 90.256 1.00 8.72 ? 7 PHE L CB 1 ATOM 4382 C CG . PHE C 3 10 ? 55.533 10.856 89.570 1.00 8.88 ? 7 PHE L CG 1 ATOM 4383 C CD1 . PHE C 3 10 ? 54.231 10.503 89.859 1.00 9.49 ? 7 PHE L CD1 1 ATOM 4384 C CD2 . PHE C 3 10 ? 56.186 10.172 88.558 1.00 9.37 ? 7 PHE L CD2 1 ATOM 4385 C CE1 . PHE C 3 10 ? 53.585 9.469 89.191 1.00 10.20 ? 7 PHE L CE1 1 ATOM 4386 C CE2 . PHE C 3 10 ? 55.534 9.131 87.875 1.00 10.16 ? 7 PHE L CE2 1 ATOM 4387 C CZ . PHE C 3 10 ? 54.249 8.803 88.193 1.00 10.43 ? 7 PHE L CZ 1 ATOM 4388 H H . PHE C 3 10 ? 56.970 13.766 88.197 1.00 11.02 ? 7 PHE L H 1 ATOM 4389 H HA . PHE C 3 10 ? 54.710 13.311 89.611 1.00 10.59 ? 7 PHE L HA 1 ATOM 4390 H HB2 . PHE C 3 10 ? 57.128 11.959 90.152 1.00 10.46 ? 7 PHE L HB2 1 ATOM 4391 H HB3 . PHE C 3 10 ? 55.925 11.999 91.195 1.00 10.46 ? 7 PHE L HB3 1 ATOM 4392 H HD1 . PHE C 3 10 ? 53.773 10.969 90.521 1.00 11.39 ? 7 PHE L HD1 1 ATOM 4393 H HD2 . PHE C 3 10 ? 57.055 10.408 88.324 1.00 11.24 ? 7 PHE L HD2 1 ATOM 4394 H HE1 . PHE C 3 10 ? 52.712 9.237 89.411 1.00 12.24 ? 7 PHE L HE1 1 ATOM 4395 H HE2 . PHE C 3 10 ? 55.981 8.663 87.207 1.00 12.20 ? 7 PHE L HE2 1 ATOM 4396 H HZ . PHE C 3 10 ? 53.833 8.095 87.757 1.00 12.52 ? 7 PHE L HZ 1 ATOM 4397 N N . GLU C 3 11 ? 57.154 14.677 91.101 1.00 9.15 ? 8 GLU L N 1 ATOM 4398 C CA . GLU C 3 11 ? 57.463 15.830 91.954 1.00 9.32 ? 8 GLU L CA 1 ATOM 4399 C C . GLU C 3 11 ? 57.359 17.146 91.210 1.00 10.14 ? 8 GLU L C 1 ATOM 4400 O O . GLU C 3 11 ? 56.870 18.126 91.768 1.00 10.57 ? 8 GLU L O 1 ATOM 4401 C CB . GLU C 3 11 ? 58.863 15.716 92.581 1.00 9.57 ? 8 GLU L CB 1 ATOM 4402 C CG . GLU C 3 11 ? 58.955 14.636 93.654 1.00 9.14 ? 8 GLU L CG 1 ATOM 4403 C CD . GLU C 3 11 ? 59.025 13.213 93.113 1.00 8.46 ? 8 GLU L CD 1 ATOM 4404 O OE1 . GLU C 3 11 ? 59.397 13.010 91.930 1.00 8.88 ? 8 GLU L OE1 1 ATOM 4405 O OE2 . GLU C 3 11 ? 58.712 12.294 93.898 1.00 8.88 ? 8 GLU L OE2 1 ATOM 4406 H H . GLU C 3 11 ? 57.765 14.073 91.080 1.00 10.98 ? 8 GLU L H 1 ATOM 4407 H HA . GLU C 3 11 ? 56.820 15.855 92.680 1.00 11.19 ? 8 GLU L HA 1 ATOM 4408 H HB2 . GLU C 3 11 ? 59.503 15.501 91.884 1.00 11.48 ? 8 GLU L HB2 1 ATOM 4409 H HB3 . GLU C 3 11 ? 59.094 16.565 92.991 1.00 11.48 ? 8 GLU L HB3 1 ATOM 4410 H HG2 . GLU C 3 11 ? 59.754 14.790 94.182 1.00 10.97 ? 8 GLU L HG2 1 ATOM 4411 H HG3 . GLU C 3 11 ? 58.171 14.696 94.223 1.00 10.97 ? 8 GLU L HG3 1 ATOM 4412 N N . LYS C 3 12 ? 57.818 17.216 89.962 1.00 10.35 ? 9 LYS L N 1 ATOM 4413 C CA . LYS C 3 12 ? 57.824 18.493 89.278 1.00 11.36 ? 9 LYS L CA 1 ATOM 4414 C C . LYS C 3 12 ? 56.438 19.006 88.997 1.00 12.04 ? 9 LYS L C 1 ATOM 4415 O O . LYS C 3 12 ? 56.274 20.211 88.829 1.00 14.90 ? 9 LYS L O 1 ATOM 4416 C CB . LYS C 3 12 ? 58.609 18.371 87.980 1.00 11.98 ? 9 LYS L CB 1 ATOM 4417 C CG . LYS C 3 12 ? 60.063 18.241 88.215 1.00 14.60 ? 9 LYS L CG 1 ATOM 4418 H H . LYS C 3 12 ? 58.123 16.555 89.504 1.00 12.43 ? 9 LYS L H 1 ATOM 4419 H HA . LYS C 3 12 ? 58.274 19.146 89.837 1.00 13.63 ? 9 LYS L HA 1 ATOM 4420 H HB2 . LYS C 3 12 ? 58.309 17.583 87.500 1.00 14.37 ? 9 LYS L HB2 1 ATOM 4421 H HB3 . LYS C 3 12 ? 58.460 19.165 87.443 1.00 14.37 ? 9 LYS L HB3 1 ATOM 4422 N N . LYS C 3 13 ? 55.437 18.128 88.968 1.00 11.79 ? 10 LYS L N 1 ATOM 4423 C CA A LYS C 3 13 ? 54.019 18.452 88.769 0.53 12.92 ? 10 LYS L CA 1 ATOM 4424 C CA B LYS C 3 13 ? 54.061 18.579 88.774 0.47 12.99 ? 10 LYS L CA 1 ATOM 4425 C C . LYS C 3 13 ? 53.183 18.328 90.023 1.00 12.71 ? 10 LYS L C 1 ATOM 4426 O O . LYS C 3 13 ? 51.947 18.409 89.956 1.00 14.22 ? 10 LYS L O 1 ATOM 4427 C CB A LYS C 3 13 ? 53.399 17.475 87.782 0.53 14.35 ? 10 LYS L CB 1 ATOM 4428 C CB B LYS C 3 13 ? 53.470 18.016 87.456 0.47 13.64 ? 10 LYS L CB 1 ATOM 4429 C CG A LYS C 3 13 ? 53.939 17.620 86.418 0.53 14.64 ? 10 LYS L CG 1 ATOM 4430 C CG B LYS C 3 13 ? 53.664 16.539 87.197 0.47 13.68 ? 10 LYS L CG 1 ATOM 4431 C CD A LYS C 3 13 ? 53.461 16.518 85.531 0.53 14.84 ? 10 LYS L CD 1 ATOM 4432 C CD B LYS C 3 13 ? 52.960 15.987 85.902 0.47 15.12 ? 10 LYS L CD 1 ATOM 4433 C CE A LYS C 3 13 ? 51.993 16.579 85.284 0.53 14.63 ? 10 LYS L CE 1 ATOM 4434 C CE B LYS C 3 13 ? 53.414 16.608 84.542 0.47 15.59 ? 10 LYS L CE 1 ATOM 4435 N NZ A LYS C 3 13 ? 51.643 15.722 84.128 0.53 16.14 ? 10 LYS L NZ 1 ATOM 4436 N NZ B LYS C 3 13 ? 52.804 15.943 83.321 0.47 15.41 ? 10 LYS L NZ 1 ATOM 4437 H H A LYS C 3 13 ? 55.564 17.284 89.068 0.53 14.15 ? 10 LYS L H 1 ATOM 4438 H H B LYS C 3 13 ? 55.526 17.278 89.058 0.47 14.15 ? 10 LYS L H 1 ATOM 4439 H HA A LYS C 3 13 ? 53.930 19.352 88.419 0.53 15.51 ? 10 LYS L HA 1 ATOM 4440 H HA B LYS C 3 13 ? 54.092 19.541 88.661 0.47 15.59 ? 10 LYS L HA 1 ATOM 4441 H HB2 A LYS C 3 13 ? 53.576 16.569 88.079 0.53 17.22 ? 10 LYS L HB2 1 ATOM 4442 H HB2 B LYS C 3 13 ? 52.514 18.183 87.459 0.47 16.37 ? 10 LYS L HB2 1 ATOM 4443 H HB3 A LYS C 3 13 ? 52.442 17.629 87.743 0.53 17.22 ? 10 LYS L HB3 1 ATOM 4444 H HB3 B LYS C 3 13 ? 53.875 18.493 86.715 0.47 16.37 ? 10 LYS L HB3 1 ATOM 4445 H HG2 A LYS C 3 13 ? 53.643 18.464 86.043 0.53 17.56 ? 10 LYS L HG2 1 ATOM 4446 H HG2 B LYS C 3 13 ? 54.614 16.364 87.109 0.47 16.41 ? 10 LYS L HG2 1 ATOM 4447 H HG3 A LYS C 3 13 ? 54.908 17.588 86.451 0.53 17.56 ? 10 LYS L HG3 1 ATOM 4448 H HG3 B LYS C 3 13 ? 53.312 16.044 87.954 0.47 16.41 ? 10 LYS L HG3 1 ATOM 4449 H HD2 A LYS C 3 13 ? 53.913 16.582 84.675 0.53 17.80 ? 10 LYS L HD2 1 ATOM 4450 H HD2 B LYS C 3 13 ? 53.124 15.032 85.851 0.47 18.14 ? 10 LYS L HD2 1 ATOM 4451 H HD3 A LYS C 3 13 ? 53.661 15.666 85.950 0.53 17.80 ? 10 LYS L HD3 1 ATOM 4452 H HD3 B LYS C 3 13 ? 52.006 16.144 85.985 0.47 18.14 ? 10 LYS L HD3 1 ATOM 4453 H HE2 A LYS C 3 13 ? 51.517 16.254 86.065 0.53 17.56 ? 10 LYS L HE2 1 ATOM 4454 H HE2 B LYS C 3 13 ? 53.160 17.544 84.526 0.47 18.71 ? 10 LYS L HE2 1 ATOM 4455 H HE3 A LYS C 3 13 ? 51.734 17.492 85.082 0.53 17.56 ? 10 LYS L HE3 1 ATOM 4456 H HE3 B LYS C 3 13 ? 54.379 16.529 84.470 0.47 18.71 ? 10 LYS L HE3 1 ATOM 4457 H HZ1 A LYS C 3 13 ? 51.875 14.879 84.293 0.53 19.37 ? 10 LYS L HZ1 1 ATOM 4458 H HZ1 B LYS C 3 13 ? 51.917 16.009 83.351 0.47 18.49 ? 10 LYS L HZ1 1 ATOM 4459 H HZ2 A LYS C 3 13 ? 50.766 15.757 83.978 0.53 19.37 ? 10 LYS L HZ2 1 ATOM 4460 H HZ2 B LYS C 3 13 ? 53.099 16.338 82.580 0.47 18.49 ? 10 LYS L HZ2 1 ATOM 4461 H HZ3 A LYS C 3 13 ? 52.072 16.003 83.400 0.53 19.37 ? 10 LYS L HZ3 1 ATOM 4462 H HZ3 B LYS C 3 13 ? 53.030 15.082 83.300 0.47 18.49 ? 10 LYS L HZ3 1 ATOM 4463 N N . SER C 3 14 ? 53.828 18.077 91.162 1.00 11.71 ? 11 SER L N 1 ATOM 4464 C CA . SER C 3 14 ? 53.114 17.773 92.393 1.00 12.10 ? 11 SER L CA 1 ATOM 4465 C C . SER C 3 14 ? 52.087 16.640 92.239 1.00 12.68 ? 11 SER L C 1 ATOM 4466 O O . SER C 3 14 ? 50.953 16.734 92.728 1.00 14.99 ? 11 SER L O 1 ATOM 4467 C CB . SER C 3 14 ? 52.503 19.017 93.052 1.00 13.43 ? 11 SER L CB 1 ATOM 4468 O OG . SER C 3 14 ? 52.404 18.768 94.436 1.00 15.08 ? 11 SER L OG 1 ATOM 4469 H H . SER C 3 14 ? 54.684 18.078 91.244 1.00 14.06 ? 11 SER L H 1 ATOM 4470 H HA . SER C 3 14 ? 53.774 17.442 93.022 1.00 14.52 ? 11 SER L HA 1 ATOM 4471 H HB2 . SER C 3 14 ? 53.080 19.781 92.899 1.00 16.12 ? 11 SER L HB2 1 ATOM 4472 H HB3 . SER C 3 14 ? 51.619 19.177 92.686 1.00 16.12 ? 11 SER L HB3 1 ATOM 4473 H HG . SER C 3 14 ? 52.072 19.435 94.824 1.00 18.09 ? 11 SER L HG 1 ATOM 4474 N N . LEU C 3 15 ? 52.498 15.572 91.566 1.00 11.12 ? 12 LEU L N 1 ATOM 4475 C CA . LEU C 3 15 ? 51.702 14.346 91.503 1.00 11.17 ? 12 LEU L CA 1 ATOM 4476 C C . LEU C 3 15 ? 52.458 13.259 92.246 1.00 11.25 ? 12 LEU L C 1 ATOM 4477 O O . LEU C 3 15 ? 53.669 13.151 92.146 1.00 11.85 ? 12 LEU L O 1 ATOM 4478 C CB . LEU C 3 15 ? 51.485 13.884 90.059 1.00 11.46 ? 12 LEU L CB 1 ATOM 4479 C CG . LEU C 3 15 ? 50.578 14.798 89.236 1.00 13.06 ? 12 LEU L CG 1 ATOM 4480 C CD1 . LEU C 3 15 ? 50.552 14.281 87.797 1.00 15.36 ? 12 LEU L CD1 1 ATOM 4481 C CD2 . LEU C 3 15 ? 49.178 14.846 89.850 1.00 14.06 ? 12 LEU L CD2 1 ATOM 4482 H H . LEU C 3 15 ? 53.239 15.528 91.132 1.00 13.34 ? 12 LEU L H 1 ATOM 4483 H HA . LEU C 3 15 ? 50.841 14.484 91.928 1.00 13.41 ? 12 LEU L HA 1 ATOM 4484 H HB2 . LEU C 3 15 ? 52.346 13.844 89.614 1.00 13.75 ? 12 LEU L HB2 1 ATOM 4485 H HB3 . LEU C 3 15 ? 51.082 13.002 90.073 1.00 13.75 ? 12 LEU L HB3 1 ATOM 4486 H HG . LEU C 3 15 ? 50.942 15.697 89.232 1.00 15.68 ? 12 LEU L HG 1 ATOM 4487 H HD11 . LEU C 3 15 ? 50.208 13.374 87.794 1.00 18.43 ? 12 LEU L HD11 1 ATOM 4488 H HD12 . LEU C 3 15 ? 49.978 14.855 87.266 1.00 18.43 ? 12 LEU L HD12 1 ATOM 4489 H HD13 . LEU C 3 15 ? 51.454 14.295 87.441 1.00 18.43 ? 12 LEU L HD13 1 ATOM 4490 H HD21 . LEU C 3 15 ? 49.243 15.188 90.755 1.00 16.87 ? 12 LEU L HD21 1 ATOM 4491 H HD22 . LEU C 3 15 ? 48.618 15.429 89.314 1.00 16.87 ? 12 LEU L HD22 1 ATOM 4492 H HD23 . LEU C 3 15 ? 48.808 13.949 89.860 1.00 16.87 ? 12 LEU L HD23 1 ATOM 4493 N N . GLU C 3 16 ? 51.718 12.449 92.981 1.00 12.10 ? 13 GLU L N 1 ATOM 4494 C CA A GLU C 3 16 ? 52.315 11.330 93.713 0.44 12.32 ? 13 GLU L CA 1 ATOM 4495 C CA B GLU C 3 16 ? 52.228 11.344 93.775 0.56 12.89 ? 13 GLU L CA 1 ATOM 4496 C C . GLU C 3 16 ? 52.101 10.037 92.980 1.00 11.57 ? 13 GLU L C 1 ATOM 4497 O O . GLU C 3 16 ? 51.074 9.808 92.340 1.00 12.83 ? 13 GLU L O 1 ATOM 4498 C CB A GLU C 3 16 ? 51.726 11.189 95.113 0.44 14.39 ? 13 GLU L CB 1 ATOM 4499 C CB B GLU C 3 16 ? 51.386 11.300 95.068 0.56 15.82 ? 13 GLU L CB 1 ATOM 4500 C CG A GLU C 3 16 ? 52.188 12.261 96.072 0.44 16.12 ? 13 GLU L CG 1 ATOM 4501 C CG B GLU C 3 16 ? 51.700 10.190 96.044 0.56 17.80 ? 13 GLU L CG 1 ATOM 4502 C CD A GLU C 3 16 ? 51.359 12.319 97.354 0.44 20.42 ? 13 GLU L CD 1 ATOM 4503 C CD B GLU C 3 16 ? 51.167 10.410 97.451 0.56 20.13 ? 13 GLU L CD 1 ATOM 4504 O OE1 A GLU C 3 16 ? 50.321 11.612 97.455 0.44 21.88 ? 13 GLU L OE1 1 ATOM 4505 O OE1 B GLU C 3 16 ? 51.269 11.537 97.962 0.56 21.90 ? 13 GLU L OE1 1 ATOM 4506 O OE2 A GLU C 3 16 ? 51.742 13.088 98.264 0.44 22.84 ? 13 GLU L OE2 1 ATOM 4507 O OE2 B GLU C 3 16 ? 50.703 9.426 98.063 0.56 19.90 ? 13 GLU L OE2 1 ATOM 4508 H H A GLU C 3 16 ? 50.867 12.520 93.078 0.44 14.52 ? 13 GLU L H 1 ATOM 4509 H H B GLU C 3 16 ? 50.864 12.526 93.039 0.56 14.52 ? 13 GLU L H 1 ATOM 4510 H HA A GLU C 3 16 ? 53.270 11.476 93.798 0.44 14.79 ? 13 GLU L HA 1 ATOM 4511 H HA B GLU C 3 16 ? 53.160 11.494 94.002 0.56 15.47 ? 13 GLU L HA 1 ATOM 4512 H HB2 A GLU C 3 16 ? 50.759 11.240 95.053 0.44 17.27 ? 13 GLU L HB2 1 ATOM 4513 H HB2 B GLU C 3 16 ? 51.509 12.139 95.539 0.56 18.99 ? 13 GLU L HB2 1 ATOM 4514 H HB3 A GLU C 3 16 ? 51.989 10.330 95.479 0.44 17.27 ? 13 GLU L HB3 1 ATOM 4515 H HB3 B GLU C 3 16 ? 50.453 11.207 94.819 0.56 18.99 ? 13 GLU L HB3 1 ATOM 4516 H HG2 A GLU C 3 16 ? 53.109 12.086 96.319 0.44 19.34 ? 13 GLU L HG2 1 ATOM 4517 H HG2 B GLU C 3 16 ? 51.314 9.365 95.710 0.56 21.36 ? 13 GLU L HG2 1 ATOM 4518 H HG3 A GLU C 3 16 ? 52.121 13.124 95.634 0.44 19.34 ? 13 GLU L HG3 1 ATOM 4519 H HG3 B GLU C 3 16 ? 52.664 10.097 96.107 0.56 21.36 ? 13 GLU L HG3 1 ATOM 4520 N N . ASP C 3 17 ? 53.108 9.178 93.042 1.00 10.39 ? 14 ASP L N 1 ATOM 4521 C CA . ASP C 3 17 ? 52.970 7.853 92.460 1.00 10.10 ? 14 ASP L CA 1 ATOM 4522 C C . ASP C 3 17 ? 52.162 6.948 93.405 1.00 10.60 ? 14 ASP L C 1 ATOM 4523 O O . ASP C 3 17 ? 51.851 7.325 94.539 1.00 10.90 ? 14 ASP L O 1 ATOM 4524 C CB . ASP C 3 17 ? 54.327 7.256 92.014 1.00 10.31 ? 14 ASP L CB 1 ATOM 4525 C CG . ASP C 3 17 ? 55.213 6.739 93.151 1.00 9.38 ? 14 ASP L CG 1 ATOM 4526 O OD1 . ASP C 3 17 ? 54.730 5.988 94.008 1.00 9.72 ? 14 ASP L OD1 1 ATOM 4527 O OD2 . ASP C 3 17 ? 56.421 7.072 93.125 1.00 9.50 ? 14 ASP L OD2 1 ATOM 4528 H H . ASP C 3 17 ? 53.870 9.333 93.409 1.00 12.47 ? 14 ASP L H 1 ATOM 4529 H HA . ASP C 3 17 ? 52.438 7.947 91.654 1.00 12.12 ? 14 ASP L HA 1 ATOM 4530 H HB2 . ASP C 3 17 ? 54.155 6.512 91.416 1.00 12.37 ? 14 ASP L HB2 1 ATOM 4531 H HB3 . ASP C 3 17 ? 54.826 7.942 91.544 1.00 12.37 ? 14 ASP L HB3 1 ATOM 4532 N N . LYS C 3 18 A 51.770 5.775 92.922 1.00 11.87 ? 14 LYS L N 1 ATOM 4533 C CA . LYS C 3 18 A 50.796 4.977 93.641 1.00 14.06 ? 14 LYS L CA 1 ATOM 4534 C C . LYS C 3 18 A 51.274 4.352 94.937 1.00 12.63 ? 14 LYS L C 1 ATOM 4535 O O . LYS C 3 18 A 50.433 3.944 95.748 1.00 14.31 ? 14 LYS L O 1 ATOM 4536 C CB . LYS C 3 18 A 50.240 3.885 92.745 1.00 18.78 ? 14 LYS L CB 1 ATOM 4537 C CG . LYS C 3 18 A 49.331 4.438 91.667 1.00 23.32 ? 14 LYS L CG 1 ATOM 4538 C CD . LYS C 3 18 A 48.806 3.363 90.734 1.00 26.94 ? 14 LYS L CD 1 ATOM 4539 C CE . LYS C 3 18 A 47.812 3.928 89.725 1.00 29.14 ? 14 LYS L CE 1 ATOM 4540 H H . LYS C 3 18 A 52.052 5.425 92.188 1.00 14.24 ? 14 LYS L H 1 ATOM 4541 H HA . LYS C 3 18 A 50.053 5.557 93.870 1.00 16.88 ? 14 LYS L HA 1 ATOM 4542 H HB2 . LYS C 3 18 A 50.975 3.423 92.313 1.00 22.53 ? 14 LYS L HB2 1 ATOM 4543 H HB3 . LYS C 3 18 A 49.725 3.264 93.284 1.00 22.53 ? 14 LYS L HB3 1 ATOM 4544 H HG2 . LYS C 3 18 A 48.570 4.870 92.086 1.00 27.98 ? 14 LYS L HG2 1 ATOM 4545 H HG3 . LYS C 3 18 A 49.827 5.081 91.135 1.00 27.98 ? 14 LYS L HG3 1 ATOM 4546 H HD2 . LYS C 3 18 A 49.548 2.974 90.245 1.00 32.33 ? 14 LYS L HD2 1 ATOM 4547 H HD3 . LYS C 3 18 A 48.355 2.680 91.256 1.00 32.33 ? 14 LYS L HD3 1 ATOM 4548 N N . THR C 3 19 B 52.583 4.250 95.145 1.00 11.20 ? 14 THR L N 1 ATOM 4549 C CA . THR C 3 19 B 53.079 3.585 96.351 1.00 11.34 ? 14 THR L CA 1 ATOM 4550 C C . THR C 3 19 B 54.113 4.380 97.152 1.00 10.04 ? 14 THR L C 1 ATOM 4551 O O . THR C 3 19 B 54.605 3.872 98.160 1.00 10.97 ? 14 THR L O 1 ATOM 4552 C CB . THR C 3 19 B 53.625 2.173 96.082 1.00 12.77 ? 14 THR L CB 1 ATOM 4553 O OG1 . THR C 3 19 B 54.833 2.283 95.338 1.00 12.32 ? 14 THR L OG1 1 ATOM 4554 C CG2 . THR C 3 19 B 52.607 1.318 95.321 1.00 15.28 ? 14 THR L CG2 1 ATOM 4555 H H . THR C 3 19 B 53.194 4.548 94.618 1.00 13.44 ? 14 THR L H 1 ATOM 4556 H HA . THR C 3 19 B 52.318 3.469 96.941 1.00 13.61 ? 14 THR L HA 1 ATOM 4557 H HB . THR C 3 19 B 53.812 1.738 96.928 1.00 15.33 ? 14 THR L HB 1 ATOM 4558 H HG1 . THR C 3 19 B 55.145 1.519 95.182 1.00 14.79 ? 14 THR L HG1 1 ATOM 4559 H HG21 . THR C 3 19 B 52.399 1.731 94.469 1.00 18.34 ? 14 THR L HG21 1 ATOM 4560 H HG22 . THR C 3 19 B 52.972 0.433 95.162 1.00 18.34 ? 14 THR L HG22 1 ATOM 4561 H HG23 . THR C 3 19 B 51.792 1.235 95.840 1.00 18.34 ? 14 THR L HG23 1 ATOM 4562 N N . GLU C 3 20 C 54.439 5.609 96.771 1.00 9.52 ? 14 GLU L N 1 ATOM 4563 C CA . GLU C 3 20 C 55.443 6.351 97.525 1.00 8.99 ? 14 GLU L CA 1 ATOM 4564 C C . GLU C 3 20 C 55.011 6.610 98.955 1.00 9.25 ? 14 GLU L C 1 ATOM 4565 O O . GLU C 3 20 C 55.863 6.718 99.851 1.00 9.49 ? 14 GLU L O 1 ATOM 4566 C CB . GLU C 3 20 C 55.836 7.630 96.800 1.00 8.91 ? 14 GLU L CB 1 ATOM 4567 C CG . GLU C 3 20 C 54.703 8.606 96.541 1.00 9.41 ? 14 GLU L CG 1 ATOM 4568 C CD . GLU C 3 20 C 55.234 9.898 95.981 1.00 9.73 ? 14 GLU L CD 1 ATOM 4569 O OE1 . GLU C 3 20 C 55.652 10.767 96.797 1.00 10.48 ? 14 GLU L OE1 1 ATOM 4570 O OE2 . GLU C 3 20 C 55.281 10.043 94.744 1.00 9.81 ? 14 GLU L OE2 1 ATOM 4571 H H . GLU C 3 20 C 54.105 6.028 96.099 1.00 11.42 ? 14 GLU L H 1 ATOM 4572 H HA . GLU C 3 20 C 56.241 5.802 97.572 1.00 10.78 ? 14 GLU L HA 1 ATOM 4573 H HB2 . GLU C 3 20 C 56.503 8.092 97.331 1.00 10.70 ? 14 GLU L HB2 1 ATOM 4574 H HB3 . GLU C 3 20 C 56.217 7.390 95.940 1.00 10.70 ? 14 GLU L HB3 1 ATOM 4575 H HG2 . GLU C 3 20 C 54.087 8.223 95.896 1.00 11.29 ? 14 GLU L HG2 1 ATOM 4576 H HG3 . GLU C 3 20 C 54.245 8.798 97.374 1.00 11.29 ? 14 GLU L HG3 1 ATOM 4577 N N . ARG C 3 21 D 53.713 6.683 99.203 1.00 9.77 ? 14 ARG L N 1 ATOM 4578 C CA . ARG C 3 21 D 53.239 6.886 100.564 1.00 10.65 ? 14 ARG L CA 1 ATOM 4579 C C . ARG C 3 21 D 53.637 5.736 101.495 1.00 10.65 ? 14 ARG L C 1 ATOM 4580 O O . ARG C 3 21 D 53.871 5.968 102.680 1.00 10.97 ? 14 ARG L O 1 ATOM 4581 C CB . ARG C 3 21 D 51.735 7.081 100.531 1.00 13.22 ? 14 ARG L CB 1 ATOM 4582 C CG . ARG C 3 21 D 51.152 7.413 101.846 1.00 17.49 ? 14 ARG L CG 1 ATOM 4583 C CD . ARG C 3 21 D 49.681 7.681 101.692 1.00 21.65 ? 14 ARG L CD 1 ATOM 4584 N NE . ARG C 3 21 D 49.424 8.864 100.871 1.00 26.15 ? 14 ARG L NE 1 ATOM 4585 C CZ . ARG C 3 21 D 49.307 10.097 101.352 1.00 31.51 ? 14 ARG L CZ 1 ATOM 4586 N NH1 . ARG C 3 21 D 49.433 10.319 102.661 1.00 33.82 ? 14 ARG L NH1 1 ATOM 4587 N NH2 . ARG C 3 21 D 49.062 11.108 100.525 1.00 33.45 ? 14 ARG L NH2 1 ATOM 4588 H H . ARG C 3 21 D 53.093 6.619 98.611 1.00 11.73 ? 14 ARG L H 1 ATOM 4589 H HA . ARG C 3 21 D 53.636 7.700 100.913 1.00 12.78 ? 14 ARG L HA 1 ATOM 4590 H HB2 . ARG C 3 21 D 51.527 7.807 99.922 1.00 15.86 ? 14 ARG L HB2 1 ATOM 4591 H HB3 . ARG C 3 21 D 51.320 6.261 100.220 1.00 15.86 ? 14 ARG L HB3 1 ATOM 4592 H HG2 . ARG C 3 21 D 51.269 6.665 102.453 1.00 20.99 ? 14 ARG L HG2 1 ATOM 4593 H HG3 . ARG C 3 21 D 51.577 8.210 102.200 1.00 20.99 ? 14 ARG L HG3 1 ATOM 4594 H HD2 . ARG C 3 21 D 49.262 6.918 101.264 1.00 25.98 ? 14 ARG L HD2 1 ATOM 4595 H HD3 . ARG C 3 21 D 49.291 7.829 102.568 1.00 25.98 ? 14 ARG L HD3 1 ATOM 4596 H HE . ARG C 3 21 D 49.343 8.754 100.022 1.00 31.38 ? 14 ARG L HE 1 ATOM 4597 H HH11 . ARG C 3 21 D 49.589 9.664 103.195 1.00 40.13 ? 14 ARG L HH11 1 ATOM 4598 H HH12 . ARG C 3 21 D 49.358 11.118 102.970 1.00 40.13 ? 14 ARG L HH12 1 ATOM 4599 H HH21 . ARG C 3 21 D 48.983 10.964 99.681 1.00 40.59 ? 14 ARG L HH21 1 ATOM 4600 H HH22 . ARG C 3 21 D 48.990 11.908 100.833 1.00 40.59 ? 14 ARG L HH22 1 ATOM 4601 N N . GLU C 3 22 E 53.742 4.515 100.969 1.00 10.18 ? 14 GLU L N 1 ATOM 4602 C CA . GLU C 3 22 E 54.206 3.376 101.756 1.00 10.63 ? 14 GLU L CA 1 ATOM 4603 C C . GLU C 3 22 E 55.612 3.637 102.296 1.00 10.05 ? 14 GLU L C 1 ATOM 4604 O O . GLU C 3 22 E 55.933 3.274 103.427 1.00 10.49 ? 14 GLU L O 1 ATOM 4605 C CB . GLU C 3 22 E 54.199 2.120 100.882 1.00 11.96 ? 14 GLU L CB 1 ATOM 4606 C CG . GLU C 3 22 E 54.688 0.881 101.600 1.00 13.12 ? 14 GLU L CG 1 ATOM 4607 C CD . GLU C 3 22 E 54.755 -0.365 100.723 1.00 13.55 ? 14 GLU L CD 1 ATOM 4608 O OE1 . GLU C 3 22 E 54.499 -0.278 99.498 1.00 14.72 ? 14 GLU L OE1 1 ATOM 4609 O OE2 . GLU C 3 22 E 55.104 -1.438 101.270 1.00 14.10 ? 14 GLU L OE2 1 ATOM 4610 H H . GLU C 3 22 E 53.549 4.320 100.154 1.00 12.22 ? 14 GLU L H 1 ATOM 4611 H HA . GLU C 3 22 E 53.608 3.234 102.507 1.00 12.75 ? 14 GLU L HA 1 ATOM 4612 H HB2 . GLU C 3 22 E 53.292 1.952 100.583 1.00 14.35 ? 14 GLU L HB2 1 ATOM 4613 H HB3 . GLU C 3 22 E 54.776 2.268 100.117 1.00 14.35 ? 14 GLU L HB3 1 ATOM 4614 H HG2 . GLU C 3 22 E 55.580 1.050 101.941 1.00 15.74 ? 14 GLU L HG2 1 ATOM 4615 H HG3 . GLU C 3 22 E 54.087 0.690 102.338 1.00 15.74 ? 14 GLU L HG3 1 ATOM 4616 N N . LEU C 3 23 F 56.465 4.252 101.481 1.00 9.37 ? 14 LEU L N 1 ATOM 4617 C CA . LEU C 3 23 F 57.807 4.600 101.942 1.00 9.58 ? 14 LEU L CA 1 ATOM 4618 C C . LEU C 3 23 F 57.721 5.640 103.056 1.00 9.31 ? 14 LEU L C 1 ATOM 4619 O O . LEU C 3 23 F 58.308 5.471 104.130 1.00 9.33 ? 14 LEU L O 1 ATOM 4620 C CB . LEU C 3 23 F 58.670 5.128 100.794 1.00 9.76 ? 14 LEU L CB 1 ATOM 4621 C CG . LEU C 3 23 F 58.772 4.246 99.571 1.00 12.44 ? 14 LEU L CG 1 ATOM 4622 C CD1 . LEU C 3 23 F 59.727 4.890 98.602 1.00 13.28 ? 14 LEU L CD1 1 ATOM 4623 C CD2 . LEU C 3 23 F 59.197 2.828 99.863 1.00 13.71 ? 14 LEU L CD2 1 ATOM 4624 H H . LEU C 3 23 F 56.295 4.477 100.668 1.00 11.25 ? 14 LEU L H 1 ATOM 4625 H HA . LEU C 3 23 F 58.235 3.808 102.301 1.00 11.49 ? 14 LEU L HA 1 ATOM 4626 H HB2 . LEU C 3 23 F 58.304 5.979 100.505 1.00 11.72 ? 14 LEU L HB2 1 ATOM 4627 H HB3 . LEU C 3 23 F 59.570 5.263 101.128 1.00 11.72 ? 14 LEU L HB3 1 ATOM 4628 H HG . LEU C 3 23 F 57.902 4.208 99.143 1.00 14.93 ? 14 LEU L HG 1 ATOM 4629 H HD11 . LEU C 3 23 F 60.595 4.978 99.027 1.00 15.93 ? 14 LEU L HD11 1 ATOM 4630 H HD12 . LEU C 3 23 F 59.800 4.331 97.813 1.00 15.93 ? 14 LEU L HD12 1 ATOM 4631 H HD13 . LEU C 3 23 F 59.387 5.765 98.358 1.00 15.93 ? 14 LEU L HD13 1 ATOM 4632 H HD21 . LEU C 3 23 F 58.549 2.422 100.460 1.00 16.46 ? 14 LEU L HD21 1 ATOM 4633 H HD22 . LEU C 3 23 F 59.238 2.333 99.030 1.00 16.46 ? 14 LEU L HD22 1 ATOM 4634 H HD23 . LEU C 3 23 F 60.072 2.842 100.284 1.00 16.46 ? 14 LEU L HD23 1 ATOM 4635 N N . LEU C 3 24 G 56.988 6.729 102.821 1.00 9.44 ? 14 LEU L N 1 ATOM 4636 C CA . LEU C 3 24 G 56.864 7.776 103.813 1.00 9.85 ? 14 LEU L CA 1 ATOM 4637 C C . LEU C 3 24 G 56.370 7.230 105.147 1.00 9.61 ? 14 LEU L C 1 ATOM 4638 O O . LEU C 3 24 G 56.900 7.591 106.206 1.00 10.06 ? 14 LEU L O 1 ATOM 4639 C CB . LEU C 3 24 G 55.924 8.859 103.299 1.00 10.89 ? 14 LEU L CB 1 ATOM 4640 C CG . LEU C 3 24 G 55.682 10.050 104.246 1.00 12.45 ? 14 LEU L CG 1 ATOM 4641 C CD1 . LEU C 3 24 G 56.987 10.725 104.620 1.00 13.71 ? 14 LEU L CD1 1 ATOM 4642 C CD2 . LEU C 3 24 G 54.745 11.028 103.588 1.00 15.51 ? 14 LEU L CD2 1 ATOM 4643 H H . LEU C 3 24 G 56.555 6.878 102.093 1.00 11.32 ? 14 LEU L H 1 ATOM 4644 H HA . LEU C 3 24 G 57.734 8.179 103.957 1.00 11.81 ? 14 LEU L HA 1 ATOM 4645 H HB2 . LEU C 3 24 G 56.291 9.215 102.475 1.00 13.07 ? 14 LEU L HB2 1 ATOM 4646 H HB3 . LEU C 3 24 G 55.062 8.454 103.118 1.00 13.07 ? 14 LEU L HB3 1 ATOM 4647 H HG . LEU C 3 24 G 55.263 9.729 105.060 1.00 14.94 ? 14 LEU L HG 1 ATOM 4648 H HD11 . LEU C 3 24 G 57.418 11.048 103.813 1.00 16.45 ? 14 LEU L HD11 1 ATOM 4649 H HD12 . LEU C 3 24 G 56.799 11.468 105.215 1.00 16.45 ? 14 LEU L HD12 1 ATOM 4650 H HD13 . LEU C 3 24 G 57.559 10.081 105.066 1.00 16.45 ? 14 LEU L HD13 1 ATOM 4651 H HD21 . LEU C 3 24 G 53.905 10.583 103.400 1.00 18.61 ? 14 LEU L HD21 1 ATOM 4652 H HD22 . LEU C 3 24 G 54.597 11.775 104.189 1.00 18.61 ? 14 LEU L HD22 1 ATOM 4653 H HD23 . LEU C 3 24 G 55.146 11.342 102.763 1.00 18.61 ? 14 LEU L HD23 1 ATOM 4654 N N . GLU C 3 25 H 55.356 6.367 105.109 1.00 9.55 ? 14 GLU L N 1 ATOM 4655 C CA . GLU C 3 25 H 54.786 5.824 106.352 1.00 10.60 ? 14 GLU L CA 1 ATOM 4656 C C . GLU C 3 25 H 55.784 4.993 107.134 1.00 10.80 ? 14 GLU L C 1 ATOM 4657 O O . GLU C 3 25 H 55.623 4.831 108.335 1.00 11.93 ? 14 GLU L O 1 ATOM 4658 C CB . GLU C 3 25 H 53.550 5.013 106.027 1.00 11.28 ? 14 GLU L CB 1 ATOM 4659 C CG . GLU C 3 25 H 52.419 5.930 105.578 1.00 12.34 ? 14 GLU L CG 1 ATOM 4660 C CD . GLU C 3 25 H 51.231 5.205 105.024 1.00 14.72 ? 14 GLU L CD 1 ATOM 4661 O OE1 . GLU C 3 25 H 51.332 3.998 104.738 1.00 17.71 ? 14 GLU L OE1 1 ATOM 4662 O OE2 . GLU C 3 25 H 50.209 5.870 104.811 1.00 16.38 ? 14 GLU L OE2 1 ATOM 4663 H H . GLU C 3 25 H 54.982 6.080 104.389 1.00 11.46 ? 14 GLU L H 1 ATOM 4664 H HA . GLU C 3 25 H 54.512 6.564 106.916 1.00 12.72 ? 14 GLU L HA 1 ATOM 4665 H HB2 . GLU C 3 25 H 53.749 4.394 105.307 1.00 13.54 ? 14 GLU L HB2 1 ATOM 4666 H HB3 . GLU C 3 25 H 53.261 4.532 106.819 1.00 13.54 ? 14 GLU L HB3 1 ATOM 4667 H HG2 . GLU C 3 25 H 52.119 6.451 106.339 1.00 14.80 ? 14 GLU L HG2 1 ATOM 4668 H HG3 . GLU C 3 25 H 52.753 6.522 104.886 1.00 14.80 ? 14 GLU L HG3 1 ATOM 4669 N N . SER C 3 26 I 56.809 4.463 106.482 1.00 9.79 ? 14 SER L N 1 ATOM 4670 C CA . SER C 3 26 I 57.831 3.685 107.171 1.00 10.06 ? 14 SER L CA 1 ATOM 4671 C C . SER C 3 26 I 58.901 4.538 107.842 1.00 10.59 ? 14 SER L C 1 ATOM 4672 O O . SER C 3 26 I 59.675 4.019 108.654 1.00 11.99 ? 14 SER L O 1 ATOM 4673 C CB . SER C 3 26 I 58.498 2.698 106.203 1.00 10.29 ? 14 SER L CB 1 ATOM 4674 O OG . SER C 3 26 I 59.438 3.325 105.349 1.00 10.30 ? 14 SER L OG 1 ATOM 4675 H H . SER C 3 26 I 56.937 4.540 105.635 1.00 11.75 ? 14 SER L H 1 ATOM 4676 H HA . SER C 3 26 I 57.400 3.163 107.866 1.00 12.07 ? 14 SER L HA 1 ATOM 4677 H HB2 . SER C 3 26 I 58.956 2.017 106.721 1.00 12.35 ? 14 SER L HB2 1 ATOM 4678 H HB3 . SER C 3 26 I 57.810 2.286 105.658 1.00 12.35 ? 14 SER L HB3 1 ATOM 4679 H HG . SER C 3 26 I 59.058 3.916 104.888 1.00 12.37 ? 14 SER L HG 1 ATOM 4680 N N . TYR C 3 27 J 58.943 5.832 107.544 1.00 11.02 ? 14 TYR L N 1 ATOM 4681 C CA . TYR C 3 27 J 60.026 6.698 108.027 1.00 12.13 ? 14 TYR L CA 1 ATOM 4682 C C . TYR C 3 27 J 59.547 7.307 109.349 1.00 14.65 ? 14 TYR L C 1 ATOM 4683 O O . TYR C 3 27 J 59.024 8.423 109.405 1.00 16.04 ? 14 TYR L O 1 ATOM 4684 C CB . TYR C 3 27 J 60.397 7.761 106.981 1.00 11.65 ? 14 TYR L CB 1 ATOM 4685 C CG . TYR C 3 27 J 60.817 7.236 105.613 1.00 11.02 ? 14 TYR L CG 1 ATOM 4686 C CD1 . TYR C 3 27 J 61.355 5.969 105.447 1.00 10.51 ? 14 TYR L CD1 1 ATOM 4687 C CD2 . TYR C 3 27 J 60.701 8.044 104.483 1.00 11.78 ? 14 TYR L CD2 1 ATOM 4688 C CE1 . TYR C 3 27 J 61.725 5.500 104.204 1.00 10.16 ? 14 TYR L CE1 1 ATOM 4689 C CE2 . TYR C 3 27 J 61.070 7.584 103.232 1.00 11.52 ? 14 TYR L CE2 1 ATOM 4690 C CZ . TYR C 3 27 J 61.595 6.326 103.101 1.00 10.68 ? 14 TYR L CZ 1 ATOM 4691 O OH . TYR C 3 27 J 61.965 5.900 101.817 1.00 10.56 ? 14 TYR L OH 1 ATOM 4692 H H . TYR C 3 27 J 58.357 6.239 107.064 1.00 13.23 ? 14 TYR L H 1 ATOM 4693 H HA . TYR C 3 27 J 60.812 6.160 108.207 1.00 14.55 ? 14 TYR L HA 1 ATOM 4694 H HB2 . TYR C 3 27 J 59.629 8.337 106.846 1.00 13.98 ? 14 TYR L HB2 1 ATOM 4695 H HB3 . TYR C 3 27 J 61.136 8.285 107.328 1.00 13.98 ? 14 TYR L HB3 1 ATOM 4696 H HD1 . TYR C 3 27 J 61.443 5.413 106.187 1.00 12.61 ? 14 TYR L HD1 1 ATOM 4697 H HD2 . TYR C 3 27 J 60.345 8.899 104.568 1.00 14.13 ? 14 TYR L HD2 1 ATOM 4698 H HE1 . TYR C 3 27 J 62.081 4.646 104.111 1.00 12.19 ? 14 TYR L HE1 1 ATOM 4699 H HE2 . TYR C 3 27 J 60.983 8.135 102.487 1.00 13.82 ? 14 TYR L HE2 1 ATOM 4700 H HH . TYR C 3 27 J 62.256 5.112 101.847 1.00 12.67 ? 14 TYR L HH 1 ATOM 4701 N N . ILE C 3 28 K 59.632 6.488 110.400 1.00 18.52 ? 14 ILE L N 1 ATOM 4702 C CA . ILE C 3 28 K 58.967 6.750 111.681 1.00 24.05 ? 14 ILE L CA 1 ATOM 4703 C C . ILE C 3 28 K 59.932 7.159 112.764 1.00 31.30 ? 14 ILE L C 1 ATOM 4704 O O . ILE C 3 28 K 59.489 7.650 113.806 1.00 33.76 ? 14 ILE L O 1 ATOM 4705 C CB . ILE C 3 28 K 58.255 5.495 112.277 1.00 25.70 ? 14 ILE L CB 1 ATOM 4706 C CG1 . ILE C 3 28 K 59.267 4.385 112.593 1.00 29.19 ? 14 ILE L CG1 1 ATOM 4707 C CG2 . ILE C 3 28 K 57.198 4.950 111.347 1.00 26.80 ? 14 ILE L CG2 1 ATOM 4708 C CD1 . ILE C 3 28 K 58.715 3.304 113.477 1.00 31.63 ? 14 ILE L CD1 1 ATOM 4709 O OXT . ILE C 3 28 K 61.135 6.927 112.660 1.00 36.07 ? 14 ILE L OXT 1 ATOM 4710 H H . ILE C 3 28 K 60.080 5.754 110.395 1.00 22.22 ? 14 ILE L H 1 ATOM 4711 H HA . ILE C 3 28 K 58.310 7.455 111.568 1.00 28.86 ? 14 ILE L HA 1 ATOM 4712 H HB . ILE C 3 28 K 57.824 5.757 113.106 1.00 30.84 ? 14 ILE L HB 1 ATOM 4713 H HG12 . ILE C 3 28 K 59.550 3.973 111.761 1.00 35.02 ? 14 ILE L HG12 1 ATOM 4714 H HG13 . ILE C 3 28 K 60.031 4.776 113.044 1.00 35.02 ? 14 ILE L HG13 1 ATOM 4715 H HG21 . ILE C 3 28 K 57.615 4.697 110.508 1.00 32.16 ? 14 ILE L HG21 1 ATOM 4716 H HG22 . ILE C 3 28 K 56.785 4.174 111.758 1.00 32.16 ? 14 ILE L HG22 1 ATOM 4717 H HG23 . ILE C 3 28 K 56.530 5.636 111.191 1.00 32.16 ? 14 ILE L HG23 1 ATOM 4718 H HD11 . ILE C 3 28 K 57.955 2.893 113.035 1.00 37.95 ? 14 ILE L HD11 1 ATOM 4719 H HD12 . ILE C 3 28 K 59.405 2.641 113.632 1.00 37.95 ? 14 ILE L HD12 1 ATOM 4720 H HD13 . ILE C 3 28 K 58.436 3.696 114.319 1.00 37.95 ? 14 ILE L HD13 1 HETATM 4721 I I . IOD D 4 . ? 85.806 4.304 99.172 0.46 13.70 ? 1247 IOD H I 1 HETATM 4722 C C1 . GOL E 5 . ? 76.944 -0.251 107.840 0.78 21.29 ? 1248 GOL H C1 1 HETATM 4723 O O1 . GOL E 5 . ? 77.905 0.541 107.167 0.78 18.86 ? 1248 GOL H O1 1 HETATM 4724 C C2 . GOL E 5 . ? 76.793 0.145 109.316 0.78 23.67 ? 1248 GOL H C2 1 HETATM 4725 O O2 . GOL E 5 . ? 76.644 1.545 109.373 0.78 24.54 ? 1248 GOL H O2 1 HETATM 4726 C C3 . GOL E 5 . ? 78.061 -0.212 110.086 0.78 24.67 ? 1248 GOL H C3 1 HETATM 4727 O O3 . GOL E 5 . ? 78.028 -1.568 110.503 0.78 25.79 ? 1248 GOL H O3 1 HETATM 4728 C C1 . GOL F 5 . ? 75.096 -22.410 101.358 0.83 30.77 ? 1249 GOL H C1 1 HETATM 4729 O O1 . GOL F 5 . ? 74.434 -21.920 102.514 0.83 27.71 ? 1249 GOL H O1 1 HETATM 4730 C C2 . GOL F 5 . ? 76.537 -21.911 101.199 0.83 31.74 ? 1249 GOL H C2 1 HETATM 4731 O O2 . GOL F 5 . ? 76.777 -20.692 101.873 0.83 29.91 ? 1249 GOL H O2 1 HETATM 4732 C C3 . GOL F 5 . ? 77.549 -22.975 101.611 0.83 33.95 ? 1249 GOL H C3 1 HETATM 4733 O O3 . GOL F 5 . ? 78.791 -22.372 101.900 0.83 36.29 ? 1249 GOL H O3 1 HETATM 4734 C C1 . GOL G 5 . ? 91.533 -6.238 99.560 0.65 19.98 ? 1250 GOL H C1 1 HETATM 4735 O O1 . GOL G 5 . ? 90.649 -5.305 100.132 0.65 19.99 ? 1250 GOL H O1 1 HETATM 4736 C C2 . GOL G 5 . ? 91.319 -6.242 98.055 0.65 19.99 ? 1250 GOL H C2 1 HETATM 4737 O O2 . GOL G 5 . ? 91.763 -5.017 97.521 0.65 20.10 ? 1250 GOL H O2 1 HETATM 4738 C C3 . GOL G 5 . ? 89.842 -6.438 97.737 0.65 19.99 ? 1250 GOL H C3 1 HETATM 4739 O O3 . GOL G 5 . ? 89.485 -7.743 98.136 0.65 20.01 ? 1250 GOL H O3 1 HETATM 4740 NA NA . NA H 6 . ? 75.776 -15.898 109.301 1.00 10.82 ? 1251 NA H NA 1 HETATM 4741 NA NA . NA I 6 . ? 63.004 -13.389 101.684 1.00 13.14 ? 1252 NA H NA 1 HETATM 4742 P P . PO4 J 7 . ? 88.007 -7.370 101.643 0.64 12.42 ? 1253 PO4 H P 1 HETATM 4743 O O1 . PO4 J 7 . ? 88.202 -6.292 102.652 0.64 13.57 ? 1253 PO4 H O1 1 HETATM 4744 O O2 . PO4 J 7 . ? 86.515 -7.690 101.486 0.64 12.75 ? 1253 PO4 H O2 1 HETATM 4745 O O3 . PO4 J 7 . ? 88.750 -8.646 101.921 0.64 14.31 ? 1253 PO4 H O3 1 HETATM 4746 O O4 . PO4 J 7 . ? 88.388 -6.800 100.286 0.64 13.61 ? 1253 PO4 H O4 1 HETATM 4747 S S . DMS K 8 . ? 71.441 -0.506 107.776 1.00 13.13 ? 1254 DMS H S 1 HETATM 4748 O O . DMS K 8 . ? 72.240 -1.748 107.574 1.00 10.36 ? 1254 DMS H O 1 HETATM 4749 C C1 . DMS K 8 . ? 72.547 0.624 108.625 1.00 13.05 ? 1254 DMS H C1 1 HETATM 4750 C C2 . DMS K 8 . ? 70.362 -0.917 109.171 1.00 12.66 ? 1254 DMS H C2 1 HETATM 4751 S S . DMS L 8 . ? 77.260 -13.803 90.083 0.74 19.79 ? 1255 DMS H S 1 HETATM 4752 O O . DMS L 8 . ? 76.802 -12.782 89.083 0.74 21.01 ? 1255 DMS H O 1 HETATM 4753 C C1 . DMS L 8 . ? 75.793 -14.383 90.974 0.74 19.79 ? 1255 DMS H C1 1 HETATM 4754 C C2 . DMS L 8 . ? 77.997 -12.884 91.441 0.74 20.20 ? 1255 DMS H C2 1 HETATM 4755 C C1 . EDO M 9 . ? 91.272 -6.571 104.082 0.70 14.82 ? 1256 EDO H C1 1 HETATM 4756 O O1 . EDO M 9 . ? 90.395 -5.458 103.872 0.70 14.00 ? 1256 EDO H O1 1 HETATM 4757 C C2 . EDO M 9 . ? 92.694 -6.040 104.097 0.70 14.94 ? 1256 EDO H C2 1 HETATM 4758 O O2 . EDO M 9 . ? 92.921 -5.128 105.162 0.70 12.81 ? 1256 EDO H O2 1 HETATM 4759 S S A DMS N 8 . ? 67.816 16.125 107.407 0.43 14.94 ? 1257 DMS H S 1 HETATM 4760 S S B DMS N 8 . ? 68.785 15.903 107.731 0.57 43.27 ? 1257 DMS H S 1 HETATM 4761 O O A DMS N 8 . ? 67.306 15.830 108.777 0.43 15.43 ? 1257 DMS H O 1 HETATM 4762 O O B DMS N 8 . ? 67.738 15.628 108.757 0.57 44.02 ? 1257 DMS H O 1 HETATM 4763 C C1 A DMS N 8 . ? 68.696 14.689 106.737 0.43 12.67 ? 1257 DMS H C1 1 HETATM 4764 C C1 B DMS N 8 . ? 68.241 17.263 106.662 0.57 43.23 ? 1257 DMS H C1 1 HETATM 4765 C C2 A DMS N 8 . ? 69.183 17.313 107.440 0.43 18.42 ? 1257 DMS H C2 1 HETATM 4766 C C2 B DMS N 8 . ? 68.783 14.555 106.521 0.57 43.17 ? 1257 DMS H C2 1 HETATM 4767 C C1 . MRZ O 10 . ? 70.368 -11.370 91.511 1.00 15.87 ? 1258 MRZ H C1 1 HETATM 4768 C C6 . MRZ O 10 . ? 69.772 -12.579 92.221 1.00 15.63 ? 1258 MRZ H C6 1 HETATM 4769 C C5 . MRZ O 10 . ? 70.124 -12.557 93.698 1.00 14.83 ? 1258 MRZ H C5 1 HETATM 4770 N N4 . MRZ O 10 . ? 69.667 -11.274 94.261 1.00 13.17 ? 1258 MRZ H N4 1 HETATM 4771 C C3 . MRZ O 10 . ? 70.357 -10.112 93.693 1.00 12.59 ? 1258 MRZ H C3 1 HETATM 4772 C C2 . MRZ O 10 . ? 69.951 -10.068 92.202 1.00 14.49 ? 1258 MRZ H C2 1 HETATM 4773 C C7 . MRZ O 10 . ? 68.628 -11.185 95.106 1.00 11.88 ? 1258 MRZ H C7 1 HETATM 4774 N N8 . MRZ O 10 . ? 67.942 -12.288 95.449 1.00 12.64 ? 1258 MRZ H N8 1 HETATM 4775 N N9 . MRZ O 10 . ? 68.227 -10.026 95.633 1.00 10.88 ? 1258 MRZ H N9 1 HETATM 4776 C C1 . NAG P 11 . ? 89.521 -7.809 82.526 1.00 35.82 ? 1259 NAG H C1 1 HETATM 4777 C C2 . NAG P 11 . ? 90.759 -8.248 83.313 1.00 38.36 ? 1259 NAG H C2 1 HETATM 4778 C C3 . NAG P 11 . ? 91.857 -7.295 83.114 1.00 40.11 ? 1259 NAG H C3 1 HETATM 4779 C C4 . NAG P 11 . ? 92.140 -7.160 81.715 1.00 41.43 ? 1259 NAG H C4 1 HETATM 4780 C C5 . NAG P 11 . ? 90.981 -6.558 80.999 1.00 40.30 ? 1259 NAG H C5 1 HETATM 4781 C C6 . NAG P 11 . ? 91.282 -6.461 79.583 1.00 41.34 ? 1259 NAG H C6 1 HETATM 4782 C C7 . NAG P 11 . ? 90.432 -9.628 85.429 1.00 39.12 ? 1259 NAG H C7 1 HETATM 4783 C C8 . NAG P 11 . ? 90.159 -9.695 86.886 1.00 39.14 ? 1259 NAG H C8 1 HETATM 4784 N N2 . NAG P 11 . ? 90.481 -8.317 84.744 1.00 38.77 ? 1259 NAG H N2 1 HETATM 4785 O O3 . NAG P 11 . ? 93.026 -7.746 83.801 1.00 40.60 ? 1259 NAG H O3 1 HETATM 4786 O O4 . NAG P 11 . ? 93.335 -6.421 81.482 1.00 43.61 ? 1259 NAG H O4 1 HETATM 4787 O O5 . NAG P 11 . ? 89.779 -7.420 81.191 1.00 37.97 ? 1259 NAG H O5 1 HETATM 4788 O O6 . NAG P 11 . ? 90.281 -5.978 78.739 1.00 42.78 ? 1259 NAG H O6 1 HETATM 4789 O O7 . NAG P 11 . ? 90.613 -10.647 84.792 1.00 39.98 ? 1259 NAG H O7 1 HETATM 4790 O O . HOH Q 12 . ? 61.359 -7.444 86.914 1.00 12.40 ? 2001 HOH H O 1 HETATM 4791 O O . HOH Q 12 . ? 57.252 -8.298 89.863 1.00 16.15 ? 2002 HOH H O 1 HETATM 4792 O O . HOH Q 12 . ? 56.633 -12.371 90.816 1.00 20.78 ? 2003 HOH H O 1 HETATM 4793 O O A HOH Q 12 . ? 55.434 -7.218 97.559 0.50 35.55 ? 2004 HOH H O 1 HETATM 4794 O O B HOH Q 12 . ? 55.378 -6.594 98.593 0.50 35.55 ? 2004 HOH H O 1 HETATM 4795 O O . HOH Q 12 . ? 55.751 -14.739 92.157 1.00 48.00 ? 2005 HOH H O 1 HETATM 4796 O O . HOH Q 12 . ? 53.783 -9.634 91.438 1.00 34.14 ? 2006 HOH H O 1 HETATM 4797 O O . HOH Q 12 . ? 55.162 -10.268 89.695 1.00 29.26 ? 2007 HOH H O 1 HETATM 4798 O O . HOH Q 12 . ? 51.321 -4.695 87.982 1.00 29.56 ? 2008 HOH H O 1 HETATM 4799 O O . HOH Q 12 . ? 51.260 -0.303 88.855 1.00 51.43 ? 2009 HOH H O 1 HETATM 4800 O O . HOH Q 12 . ? 52.620 -5.439 81.826 1.00 47.93 ? 2010 HOH H O 1 HETATM 4801 O O . HOH Q 12 . ? 53.727 -7.534 87.650 1.00 34.17 ? 2011 HOH H O 1 HETATM 4802 O O . HOH Q 12 . ? 55.024 -6.411 82.938 1.00 22.58 ? 2012 HOH H O 1 HETATM 4803 O O . HOH Q 12 . ? 57.783 -16.589 93.245 1.00 37.66 ? 2013 HOH H O 1 HETATM 4804 O O . HOH Q 12 . ? 52.055 1.277 83.929 1.00 52.51 ? 2014 HOH H O 1 HETATM 4805 O O . HOH Q 12 . ? 50.220 10.289 87.679 1.00 22.78 ? 2015 HOH H O 1 HETATM 4806 O O . HOH Q 12 . ? 58.293 3.429 83.686 1.00 13.47 ? 2016 HOH H O 1 HETATM 4807 O O . HOH Q 12 . ? 50.916 7.317 86.697 1.00 30.43 ? 2017 HOH H O 1 HETATM 4808 O O . HOH Q 12 . ? 49.872 7.991 90.451 1.00 31.21 ? 2018 HOH H O 1 HETATM 4809 O O . HOH Q 12 . ? 52.340 1.957 90.637 1.00 50.42 ? 2019 HOH H O 1 HETATM 4810 O O . HOH Q 12 . ? 50.130 5.736 82.050 1.00 36.61 ? 2020 HOH H O 1 HETATM 4811 O O . HOH Q 12 . ? 52.451 9.703 81.863 1.00 23.06 ? 2021 HOH H O 1 HETATM 4812 O O . HOH Q 12 . ? 51.572 5.180 84.278 1.00 19.59 ? 2022 HOH H O 1 HETATM 4813 O O . HOH Q 12 . ? 53.018 9.084 84.676 1.00 17.26 ? 2023 HOH H O 1 HETATM 4814 O O . HOH Q 12 . ? 58.928 5.549 81.948 1.00 11.81 ? 2024 HOH H O 1 HETATM 4815 O O . HOH Q 12 . ? 59.268 11.468 85.401 1.00 9.64 ? 2025 HOH H O 1 HETATM 4816 O O . HOH Q 12 . ? 60.523 4.525 85.042 1.00 11.10 ? 2026 HOH H O 1 HETATM 4817 O O . HOH Q 12 . ? 60.827 5.454 91.827 1.00 14.94 ? 2027 HOH H O 1 HETATM 4818 O O . HOH Q 12 . ? 62.629 4.503 83.068 1.00 11.67 ? 2028 HOH H O 1 HETATM 4819 O O . HOH Q 12 . ? 63.334 4.270 91.299 1.00 9.26 ? 2029 HOH H O 1 HETATM 4820 O O . HOH Q 12 . ? 65.050 5.921 82.555 1.00 10.52 ? 2030 HOH H O 1 HETATM 4821 O O . HOH Q 12 . ? 66.295 -12.846 76.801 1.00 46.48 ? 2031 HOH H O 1 HETATM 4822 O O . HOH Q 12 . ? 68.862 -11.671 82.699 1.00 48.85 ? 2032 HOH H O 1 HETATM 4823 O O . HOH Q 12 . ? 66.011 2.779 80.841 1.00 11.21 ? 2033 HOH H O 1 HETATM 4824 O O . HOH Q 12 . ? 67.529 -3.326 87.964 1.00 10.48 ? 2034 HOH H O 1 HETATM 4825 O O . HOH Q 12 . ? 72.244 16.880 75.857 1.00 44.55 ? 2035 HOH H O 1 HETATM 4826 O O . HOH Q 12 . ? 79.719 -9.812 74.536 1.00 45.95 ? 2036 HOH H O 1 HETATM 4827 O O . HOH Q 12 . ? 90.437 -15.337 84.638 1.00 28.03 ? 2037 HOH H O 1 HETATM 4828 O O . HOH Q 12 . ? 87.209 -12.911 83.276 1.00 40.99 ? 2038 HOH H O 1 HETATM 4829 O O . HOH Q 12 . ? 78.477 -7.606 72.882 1.00 30.75 ? 2039 HOH H O 1 HETATM 4830 O O . HOH Q 12 . ? 73.880 -7.300 67.375 1.00 46.39 ? 2040 HOH H O 1 HETATM 4831 O O . HOH Q 12 . ? 78.000 0.734 68.956 1.00 50.13 ? 2041 HOH H O 1 HETATM 4832 O O . HOH Q 12 . ? 71.252 -10.853 68.952 1.00 39.02 ? 2042 HOH H O 1 HETATM 4833 O O . HOH Q 12 . ? 67.146 -10.393 71.191 1.00 44.67 ? 2043 HOH H O 1 HETATM 4834 O O . HOH Q 12 . ? 52.295 1.325 78.076 1.00 51.41 ? 2044 HOH H O 1 HETATM 4835 O O . HOH Q 12 . ? 62.779 7.043 64.330 1.00 24.33 ? 2045 HOH H O 1 HETATM 4836 O O . HOH Q 12 . ? 59.665 13.518 75.117 1.00 49.62 ? 2046 HOH H O 1 HETATM 4837 O O . HOH Q 12 . ? 63.755 4.369 64.585 1.00 43.69 ? 2047 HOH H O 1 HETATM 4838 O O . HOH Q 12 . ? 67.694 -10.956 78.422 1.00 29.52 ? 2048 HOH H O 1 HETATM 4839 O O . HOH Q 12 . ? 69.322 -11.644 80.418 1.00 44.52 ? 2049 HOH H O 1 HETATM 4840 O O . HOH Q 12 . ? 72.403 -9.928 85.327 1.00 31.22 ? 2050 HOH H O 1 HETATM 4841 O O . HOH Q 12 . ? 76.186 -8.753 83.425 1.00 20.09 ? 2051 HOH H O 1 HETATM 4842 O O . HOH Q 12 . ? 64.992 14.517 74.215 1.00 33.29 ? 2052 HOH H O 1 HETATM 4843 O O . HOH Q 12 . ? 75.028 -10.154 86.683 1.00 32.81 ? 2053 HOH H O 1 HETATM 4844 O O . HOH Q 12 . ? 72.252 1.609 90.083 1.00 14.23 ? 2054 HOH H O 1 HETATM 4845 O O . HOH Q 12 . ? 90.118 1.944 97.611 1.00 46.74 ? 2055 HOH H O 1 HETATM 4846 O O . HOH Q 12 . ? 73.181 12.681 91.060 1.00 28.77 ? 2056 HOH H O 1 HETATM 4847 O O . HOH Q 12 . ? 76.998 13.199 90.276 1.00 39.58 ? 2057 HOH H O 1 HETATM 4848 O O . HOH Q 12 . ? 78.204 14.753 84.585 1.00 40.92 ? 2058 HOH H O 1 HETATM 4849 O O . HOH Q 12 . ? 96.718 -14.131 90.998 1.00 47.63 ? 2059 HOH H O 1 HETATM 4850 O O . HOH Q 12 . ? 90.720 -13.352 104.540 1.00 44.88 ? 2060 HOH H O 1 HETATM 4851 O O . HOH Q 12 . ? 74.105 16.340 84.669 1.00 27.63 ? 2061 HOH H O 1 HETATM 4852 O O . HOH Q 12 . ? 71.889 16.763 79.188 1.00 38.15 ? 2062 HOH H O 1 HETATM 4853 O O . HOH Q 12 . ? 62.869 17.672 82.431 1.00 45.08 ? 2063 HOH H O 1 HETATM 4854 O O . HOH Q 12 . ? 62.737 18.360 84.692 1.00 40.91 ? 2064 HOH H O 1 HETATM 4855 O O . HOH Q 12 . ? 50.905 7.907 80.623 1.00 24.11 ? 2065 HOH H O 1 HETATM 4856 O O . HOH Q 12 . ? 78.207 -11.656 87.070 0.65 19.17 ? 2066 HOH H O 1 HETATM 4857 O O . HOH Q 12 . ? 74.710 -11.268 92.241 1.00 20.07 ? 2067 HOH H O 1 HETATM 4858 O O . HOH Q 12 . ? 74.368 -11.691 89.443 1.00 23.92 ? 2068 HOH H O 1 HETATM 4859 O O . HOH Q 12 . ? 73.927 15.995 94.696 1.00 51.82 ? 2069 HOH H O 1 HETATM 4860 O O . HOH Q 12 . ? 81.843 10.919 101.965 1.00 32.85 ? 2070 HOH H O 1 HETATM 4861 O O . HOH Q 12 . ? 84.682 -4.756 82.931 1.00 40.22 ? 2071 HOH H O 1 HETATM 4862 O O . HOH Q 12 . ? 86.211 -1.564 74.439 1.00 42.55 ? 2072 HOH H O 1 HETATM 4863 O O . HOH Q 12 . ? 82.764 -14.803 94.120 1.00 32.46 ? 2073 HOH H O 1 HETATM 4864 O O . HOH Q 12 . ? 87.703 -15.623 84.125 1.00 23.51 ? 2074 HOH H O 1 HETATM 4865 O O . HOH Q 12 . ? 75.516 -13.571 83.463 1.00 48.01 ? 2075 HOH H O 1 HETATM 4866 O O . HOH Q 12 . ? 89.700 -11.184 82.508 1.00 47.31 ? 2076 HOH H O 1 HETATM 4867 O O . HOH Q 12 . ? 74.132 4.788 108.536 1.00 41.55 ? 2077 HOH H O 1 HETATM 4868 O O . HOH Q 12 . ? 68.733 -1.871 113.536 1.00 49.78 ? 2078 HOH H O 1 HETATM 4869 O O . HOH Q 12 . ? 56.167 0.684 107.580 1.00 19.81 ? 2079 HOH H O 1 HETATM 4870 O O . HOH Q 12 . ? 57.968 -3.600 107.002 1.00 31.27 ? 2080 HOH H O 1 HETATM 4871 O O . HOH Q 12 . ? 61.456 -21.352 93.668 1.00 43.35 ? 2081 HOH H O 1 HETATM 4872 O O . HOH Q 12 . ? 80.619 -20.635 90.491 1.00 52.95 ? 2082 HOH H O 1 HETATM 4873 O O . HOH Q 12 . ? 79.579 1.226 74.067 1.00 24.63 ? 2083 HOH H O 1 HETATM 4874 O O . HOH Q 12 . ? 82.244 1.820 73.536 1.00 41.85 ? 2084 HOH H O 1 HETATM 4875 O O . HOH Q 12 . ? 72.911 -1.103 112.274 1.00 38.24 ? 2085 HOH H O 1 HETATM 4876 O O . HOH Q 12 . ? 75.837 -7.330 113.125 1.00 29.98 ? 2086 HOH H O 1 HETATM 4877 O O . HOH Q 12 . ? 68.470 -10.633 115.862 1.00 40.58 ? 2087 HOH H O 1 HETATM 4878 O O . HOH Q 12 . ? 67.549 -14.005 112.553 1.00 19.05 ? 2088 HOH H O 1 HETATM 4879 O O . HOH Q 12 . ? 69.186 -5.402 116.071 1.00 35.53 ? 2089 HOH H O 1 HETATM 4880 O O . HOH Q 12 . ? 64.875 -3.809 72.125 1.00 18.94 ? 2090 HOH H O 1 HETATM 4881 O O . HOH Q 12 . ? 52.535 -0.344 81.239 1.00 35.91 ? 2091 HOH H O 1 HETATM 4882 O O . HOH Q 12 . ? 56.263 -3.988 76.571 1.00 23.72 ? 2092 HOH H O 1 HETATM 4883 O O . HOH Q 12 . ? 58.691 -6.425 76.835 1.00 24.28 ? 2093 HOH H O 1 HETATM 4884 O O . HOH Q 12 . ? 65.316 -9.990 79.903 1.00 27.11 ? 2094 HOH H O 1 HETATM 4885 O O . HOH Q 12 . ? 58.234 -9.293 77.403 1.00 31.60 ? 2095 HOH H O 1 HETATM 4886 O O A HOH Q 12 . ? 58.698 -0.584 68.227 0.50 30.79 ? 2096 HOH H O 1 HETATM 4887 O O B HOH Q 12 . ? 60.018 0.014 67.677 0.50 19.19 ? 2096 HOH H O 1 HETATM 4888 O O . HOH Q 12 . ? 56.504 1.819 75.400 1.00 19.86 ? 2097 HOH H O 1 HETATM 4889 O O A HOH Q 12 . ? 57.478 4.915 71.236 0.50 23.62 ? 2098 HOH H O 1 HETATM 4890 O O . HOH Q 12 . ? 53.329 13.805 101.983 1.00 45.55 ? 2099 HOH H O 1 HETATM 4891 O O . HOH Q 12 . ? 63.569 22.528 93.121 1.00 37.66 ? 2100 HOH H O 1 HETATM 4892 O O . HOH Q 12 . ? 63.887 6.959 68.669 1.00 21.63 ? 2101 HOH H O 1 HETATM 4893 O O . HOH Q 12 . ? 66.709 6.504 65.986 1.00 48.50 ? 2102 HOH H O 1 HETATM 4894 O O . HOH Q 12 . ? 60.092 1.472 65.428 1.00 46.57 ? 2103 HOH H O 1 HETATM 4895 O O . HOH Q 12 . ? 55.162 5.682 63.348 1.00 13.64 ? 2104 HOH H O 1 HETATM 4896 O O . HOH Q 12 . ? 60.172 8.104 64.971 1.00 16.04 ? 2105 HOH H O 1 HETATM 4897 O O . HOH Q 12 . ? 75.828 -14.676 95.106 1.00 51.07 ? 2106 HOH H O 1 HETATM 4898 O O . HOH Q 12 . ? 72.694 -19.413 96.087 1.00 30.05 ? 2107 HOH H O 1 HETATM 4899 O O . HOH Q 12 . ? 64.307 8.392 71.032 1.00 23.00 ? 2108 HOH H O 1 HETATM 4900 O O . HOH Q 12 . ? 57.926 10.894 72.726 1.00 21.66 ? 2109 HOH H O 1 HETATM 4901 O O . HOH Q 12 . ? 61.528 11.858 74.387 1.00 30.65 ? 2110 HOH H O 1 HETATM 4902 O O . HOH Q 12 . ? 64.889 -13.204 112.594 1.00 41.66 ? 2111 HOH H O 1 HETATM 4903 O O . HOH Q 12 . ? 63.307 10.877 76.202 1.00 15.58 ? 2112 HOH H O 1 HETATM 4904 O O . HOH Q 12 . ? 78.457 4.998 106.277 1.00 36.07 ? 2113 HOH H O 1 HETATM 4905 O O . HOH Q 12 . ? 63.388 13.138 72.321 1.00 54.58 ? 2114 HOH H O 1 HETATM 4906 O O . HOH Q 12 . ? 85.860 7.093 102.464 1.00 49.11 ? 2115 HOH H O 1 HETATM 4907 O O . HOH Q 12 . ? 74.645 9.730 75.140 1.00 30.87 ? 2116 HOH H O 1 HETATM 4908 O O . HOH Q 12 . ? 76.596 8.144 72.565 1.00 24.43 ? 2117 HOH H O 1 HETATM 4909 O O . HOH Q 12 . ? 90.865 15.149 90.701 1.00 40.17 ? 2118 HOH H O 1 HETATM 4910 O O . HOH Q 12 . ? 89.056 2.010 84.500 1.00 37.08 ? 2119 HOH H O 1 HETATM 4911 O O . HOH Q 12 . ? 88.433 0.032 86.449 1.00 26.47 ? 2120 HOH H O 1 HETATM 4912 O O . HOH Q 12 . ? 89.856 -0.784 89.253 1.00 42.68 ? 2121 HOH H O 1 HETATM 4913 O O A HOH Q 12 . ? 89.370 3.857 90.568 0.50 29.98 ? 2122 HOH H O 1 HETATM 4914 O O B HOH Q 12 . ? 88.659 2.992 89.294 0.50 30.00 ? 2122 HOH H O 1 HETATM 4915 O O . HOH Q 12 . ? 89.064 -3.933 89.924 1.00 48.54 ? 2123 HOH H O 1 HETATM 4916 O O . HOH Q 12 . ? 89.798 4.348 96.013 1.00 30.04 ? 2124 HOH H O 1 HETATM 4917 O O . HOH Q 12 . ? 92.744 -2.839 91.927 1.00 45.22 ? 2125 HOH H O 1 HETATM 4918 O O . HOH Q 12 . ? 90.398 1.790 100.592 1.00 39.37 ? 2126 HOH H O 1 HETATM 4919 O O . HOH Q 12 . ? 92.713 1.016 96.509 1.00 41.82 ? 2127 HOH H O 1 HETATM 4920 O O . HOH Q 12 . ? 88.729 -9.821 94.452 1.00 20.49 ? 2128 HOH H O 1 HETATM 4921 O O . HOH Q 12 . ? 88.816 -5.822 91.621 1.00 40.12 ? 2129 HOH H O 1 HETATM 4922 O O . HOH Q 12 . ? 90.066 -10.041 96.905 1.00 26.59 ? 2130 HOH H O 1 HETATM 4923 O O . HOH Q 12 . ? 88.472 -11.556 100.887 1.00 32.38 ? 2131 HOH H O 1 HETATM 4924 O O . HOH Q 12 . ? 90.392 -7.736 89.772 1.00 41.81 ? 2132 HOH H O 1 HETATM 4925 O O . HOH Q 12 . ? 83.009 -16.883 95.588 1.00 50.64 ? 2133 HOH H O 1 HETATM 4926 O O . HOH Q 12 . ? 89.989 -16.530 95.585 0.56 24.02 ? 2134 HOH H O 1 HETATM 4927 O O . HOH Q 12 . ? 94.900 -16.316 94.781 1.00 33.07 ? 2135 HOH H O 1 HETATM 4928 O O . HOH Q 12 . ? 95.108 -15.811 91.868 1.00 29.23 ? 2136 HOH H O 1 HETATM 4929 O O . HOH Q 12 . ? 82.054 -16.273 100.211 1.00 39.77 ? 2137 HOH H O 1 HETATM 4930 O O . HOH Q 12 . ? 88.230 -12.547 104.211 1.00 32.05 ? 2138 HOH H O 1 HETATM 4931 O O . HOH Q 12 . ? 82.282 -14.940 102.628 1.00 17.43 ? 2139 HOH H O 1 HETATM 4932 O O . HOH Q 12 . ? 78.067 -6.214 97.951 1.00 10.04 ? 2140 HOH H O 1 HETATM 4933 O O . HOH Q 12 . ? 79.396 -3.845 98.620 1.00 10.64 ? 2141 HOH H O 1 HETATM 4934 O O . HOH Q 12 . ? 85.024 -4.464 104.071 1.00 17.09 ? 2142 HOH H O 1 HETATM 4935 O O . HOH Q 12 . ? 87.475 -2.151 104.530 1.00 47.09 ? 2143 HOH H O 1 HETATM 4936 O O . HOH Q 12 . ? 80.313 12.465 78.316 1.00 43.78 ? 2144 HOH H O 1 HETATM 4937 O O . HOH Q 12 . ? 70.181 12.188 74.241 1.00 28.92 ? 2145 HOH H O 1 HETATM 4938 O O . HOH Q 12 . ? 65.606 12.494 75.786 1.00 18.32 ? 2146 HOH H O 1 HETATM 4939 O O . HOH Q 12 . ? 69.234 17.729 79.102 1.00 30.75 ? 2147 HOH H O 1 HETATM 4940 O O . HOH Q 12 . ? 64.228 16.481 76.066 1.00 53.62 ? 2148 HOH H O 1 HETATM 4941 O O . HOH Q 12 . ? 64.201 15.708 83.016 1.00 14.88 ? 2149 HOH H O 1 HETATM 4942 O O . HOH Q 12 . ? 59.778 14.725 77.575 1.00 21.32 ? 2150 HOH H O 1 HETATM 4943 O O . HOH Q 12 . ? 60.517 17.222 81.059 1.00 27.83 ? 2151 HOH H O 1 HETATM 4944 O O . HOH Q 12 . ? 56.112 17.157 78.596 1.00 52.53 ? 2152 HOH H O 1 HETATM 4945 O O . HOH Q 12 . ? 56.456 17.477 81.818 1.00 26.84 ? 2153 HOH H O 1 HETATM 4946 O O . HOH Q 12 . ? 54.107 16.136 80.989 1.00 39.91 ? 2154 HOH H O 1 HETATM 4947 O O . HOH Q 12 . ? 56.466 13.423 77.054 1.00 48.34 ? 2155 HOH H O 1 HETATM 4948 O O . HOH Q 12 . ? 54.963 12.632 79.038 1.00 46.75 ? 2156 HOH H O 1 HETATM 4949 O O . HOH Q 12 . ? 61.176 6.866 82.785 1.00 11.60 ? 2157 HOH H O 1 HETATM 4950 O O . HOH Q 12 . ? 53.954 10.305 79.435 1.00 25.11 ? 2158 HOH H O 1 HETATM 4951 O O . HOH Q 12 . ? 73.850 13.487 93.558 1.00 18.57 ? 2159 HOH H O 1 HETATM 4952 O O . HOH Q 12 . ? 73.464 14.874 97.644 1.00 30.59 ? 2160 HOH H O 1 HETATM 4953 O O . HOH Q 12 . ? 71.695 15.814 99.591 1.00 21.86 ? 2161 HOH H O 1 HETATM 4954 O O . HOH Q 12 . ? 73.344 17.416 104.869 1.00 40.65 ? 2162 HOH H O 1 HETATM 4955 O O . HOH Q 12 . ? 78.056 14.128 102.953 1.00 26.94 ? 2163 HOH H O 1 HETATM 4956 O O . HOH Q 12 . ? 75.949 8.311 107.197 1.00 26.95 ? 2164 HOH H O 1 HETATM 4957 O O . HOH Q 12 . ? 80.605 12.844 103.225 1.00 46.55 ? 2165 HOH H O 1 HETATM 4958 O O . HOH Q 12 . ? 71.216 12.725 109.916 1.00 35.75 ? 2166 HOH H O 1 HETATM 4959 O O . HOH Q 12 . ? 77.380 16.448 104.384 1.00 36.65 ? 2167 HOH H O 1 HETATM 4960 O O . HOH Q 12 . ? 78.481 15.968 107.190 1.00 41.90 ? 2168 HOH H O 1 HETATM 4961 O O . HOH Q 12 . ? 67.309 14.679 102.943 1.00 14.03 ? 2169 HOH H O 1 HETATM 4962 O O . HOH Q 12 . ? 71.665 4.911 109.770 1.00 26.18 ? 2170 HOH H O 1 HETATM 4963 O O . HOH Q 12 . ? 67.723 13.512 110.465 1.00 42.38 ? 2171 HOH H O 1 HETATM 4964 O O . HOH Q 12 . ? 63.434 4.930 113.670 1.00 46.70 ? 2172 HOH H O 1 HETATM 4965 O O . HOH Q 12 . ? 67.211 2.427 113.811 0.46 21.88 ? 2173 HOH H O 1 HETATM 4966 O O . HOH Q 12 . ? 65.552 8.473 113.504 1.00 44.25 ? 2174 HOH H O 1 HETATM 4967 O O . HOH Q 12 . ? 68.592 0.627 112.244 1.00 23.25 ? 2175 HOH H O 1 HETATM 4968 O O . HOH Q 12 . ? 61.706 1.535 111.932 1.00 27.00 ? 2176 HOH H O 1 HETATM 4969 O O . HOH Q 12 . ? 65.024 1.076 113.272 1.00 28.94 ? 2177 HOH H O 1 HETATM 4970 O O . HOH Q 12 . ? 62.759 -4.644 108.558 1.00 14.40 ? 2178 HOH H O 1 HETATM 4971 O O . HOH Q 12 . ? 59.774 1.746 110.168 1.00 20.49 ? 2179 HOH H O 1 HETATM 4972 O O . HOH Q 12 . ? 58.373 -1.077 107.739 1.00 20.96 ? 2180 HOH H O 1 HETATM 4973 O O . HOH Q 12 . ? 52.633 -1.039 103.996 1.00 39.23 ? 2181 HOH H O 1 HETATM 4974 O O . HOH Q 12 . ? 54.735 -3.238 105.823 1.00 28.11 ? 2182 HOH H O 1 HETATM 4975 O O . HOH Q 12 . ? 55.034 1.257 105.091 1.00 12.80 ? 2183 HOH H O 1 HETATM 4976 O O . HOH Q 12 . ? 64.245 1.918 92.347 1.00 9.97 ? 2184 HOH H O 1 HETATM 4977 O O . HOH Q 12 . ? 66.988 -4.554 85.437 1.00 11.80 ? 2185 HOH H O 1 HETATM 4978 O O . HOH Q 12 . ? 64.428 -10.573 82.492 1.00 26.68 ? 2186 HOH H O 1 HETATM 4979 O O A HOH Q 12 . ? 66.912 -17.046 88.785 0.49 30.68 ? 2187 HOH H O 1 HETATM 4980 O O B HOH Q 12 . ? 65.280 -16.278 87.665 0.51 25.35 ? 2187 HOH H O 1 HETATM 4981 O O . HOH Q 12 . ? 60.792 -16.921 93.243 1.00 39.11 ? 2189 HOH H O 1 HETATM 4982 O O . HOH Q 12 . ? 60.465 -19.868 91.549 1.00 40.67 ? 2190 HOH H O 1 HETATM 4983 O O . HOH Q 12 . ? 62.314 -19.420 95.660 1.00 41.69 ? 2191 HOH H O 1 HETATM 4984 O O . HOH Q 12 . ? 56.756 -10.838 79.092 1.00 42.46 ? 2192 HOH H O 1 HETATM 4985 O O . HOH Q 12 . ? 54.722 -9.154 82.513 1.00 43.64 ? 2193 HOH H O 1 HETATM 4986 O O . HOH Q 12 . ? 52.673 -4.658 78.844 1.00 33.99 ? 2194 HOH H O 1 HETATM 4987 O O . HOH Q 12 . ? 55.866 -2.990 96.466 1.00 25.30 ? 2195 HOH H O 1 HETATM 4988 O O . HOH Q 12 . ? 56.050 -3.876 99.887 1.00 16.84 ? 2196 HOH H O 1 HETATM 4989 O O . HOH Q 12 . ? 55.562 -0.069 94.294 1.00 42.12 ? 2197 HOH H O 1 HETATM 4990 O O . HOH Q 12 . ? 71.107 -4.132 106.676 1.00 11.75 ? 2198 HOH H O 1 HETATM 4991 O O . HOH Q 12 . ? 62.452 -4.247 111.260 1.00 36.63 ? 2199 HOH H O 1 HETATM 4992 O O . HOH Q 12 . ? 65.341 -2.547 114.865 1.00 50.34 ? 2200 HOH H O 1 HETATM 4993 O O . HOH Q 12 . ? 70.979 -2.872 112.615 1.00 19.80 ? 2201 HOH H O 1 HETATM 4994 O O . HOH Q 12 . ? 74.659 -7.525 108.544 0.44 11.39 ? 2202 HOH H O 1 HETATM 4995 O O . HOH Q 12 . ? 77.182 -5.005 111.003 1.00 30.98 ? 2203 HOH H O 1 HETATM 4996 O O . HOH Q 12 . ? 73.493 -5.967 106.441 0.54 12.64 ? 2204 HOH H O 1 HETATM 4997 O O . HOH Q 12 . ? 69.224 -12.417 114.032 1.00 22.31 ? 2205 HOH H O 1 HETATM 4998 O O . HOH Q 12 . ? 74.385 -11.767 114.151 1.00 46.64 ? 2206 HOH H O 1 HETATM 4999 O O . HOH Q 12 . ? 68.480 -7.658 115.460 1.00 36.18 ? 2207 HOH H O 1 HETATM 5000 O O . HOH Q 12 . ? 68.389 -14.194 110.032 1.00 13.71 ? 2208 HOH H O 1 HETATM 5001 O O . HOH Q 12 . ? 77.030 -13.969 107.875 1.00 17.65 ? 2209 HOH H O 1 HETATM 5002 O O . HOH Q 12 . ? 82.018 -12.110 115.194 1.00 32.60 ? 2210 HOH H O 1 HETATM 5003 O O . HOH Q 12 . ? 69.054 -18.318 110.338 1.00 29.95 ? 2211 HOH H O 1 HETATM 5004 O O . HOH Q 12 . ? 69.901 -13.768 103.089 1.00 13.10 ? 2212 HOH H O 1 HETATM 5005 O O . HOH Q 12 . ? 74.549 -19.075 103.014 1.00 16.01 ? 2213 HOH H O 1 HETATM 5006 O O . HOH Q 12 . ? 81.667 -17.198 104.592 1.00 43.45 ? 2214 HOH H O 1 HETATM 5007 O O . HOH Q 12 . ? 79.677 -17.597 108.065 1.00 32.30 ? 2215 HOH H O 1 HETATM 5008 O O . HOH Q 12 . ? 79.824 -21.211 107.254 1.00 29.12 ? 2216 HOH H O 1 HETATM 5009 O O . HOH Q 12 . ? 78.847 -11.952 108.324 1.00 19.93 ? 2217 HOH H O 1 HETATM 5010 O O . HOH Q 12 . ? 86.420 -6.476 104.919 1.00 33.54 ? 2218 HOH H O 1 HETATM 5011 O O . HOH Q 12 . ? 88.507 -8.428 106.424 1.00 23.05 ? 2219 HOH H O 1 HETATM 5012 O O . HOH Q 12 . ? 89.059 -9.874 104.328 1.00 22.22 ? 2220 HOH H O 1 HETATM 5013 O O . HOH Q 12 . ? 79.968 -9.803 109.392 1.00 39.29 ? 2221 HOH H O 1 HETATM 5014 O O . HOH Q 12 . ? 85.370 -1.726 104.356 1.00 40.08 ? 2222 HOH H O 1 HETATM 5015 O O . HOH Q 12 . ? 63.823 -10.003 99.840 1.00 12.32 ? 2223 HOH H O 1 HETATM 5016 O O . HOH Q 12 . ? 65.695 -7.590 98.561 1.00 10.53 ? 2224 HOH H O 1 HETATM 5017 O O . HOH Q 12 . ? 61.916 -6.942 107.426 1.00 13.33 ? 2225 HOH H O 1 HETATM 5018 O O . HOH Q 12 . ? 60.566 -9.990 101.037 1.00 12.78 ? 2226 HOH H O 1 HETATM 5019 O O . HOH Q 12 . ? 63.215 -11.035 102.456 1.00 11.71 ? 2227 HOH H O 1 HETATM 5020 O O . HOH Q 12 . ? 61.883 -13.752 103.998 1.00 15.33 ? 2228 HOH H O 1 HETATM 5021 O O . HOH Q 12 . ? 57.342 -12.817 104.157 1.00 20.44 ? 2229 HOH H O 1 HETATM 5022 O O . HOH Q 12 . ? 60.499 -6.670 111.678 1.00 43.13 ? 2230 HOH H O 1 HETATM 5023 O O . HOH Q 12 . ? 60.004 -13.976 110.872 1.00 45.93 ? 2231 HOH H O 1 HETATM 5024 O O . HOH Q 12 . ? 59.914 -4.370 108.717 1.00 33.62 ? 2232 HOH H O 1 HETATM 5025 O O . HOH Q 12 . ? 51.839 -12.383 100.692 1.00 48.52 ? 2233 HOH H O 1 HETATM 5026 O O . HOH Q 12 . ? 54.128 -14.805 102.219 1.00 35.14 ? 2234 HOH H O 1 HETATM 5027 O O . HOH Q 12 . ? 52.847 -3.152 101.314 1.00 38.16 ? 2235 HOH H O 1 HETATM 5028 O O . HOH Q 12 . ? 53.721 -9.017 99.039 1.00 27.06 ? 2236 HOH H O 1 HETATM 5029 O O . HOH Q 12 . ? 59.357 -14.203 102.965 1.00 17.85 ? 2237 HOH H O 1 HETATM 5030 O O . HOH Q 12 . ? 66.821 -13.057 98.955 1.00 14.92 ? 2238 HOH H O 1 HETATM 5031 O O . HOH Q 12 . ? 64.091 -12.798 99.674 1.00 13.36 ? 2239 HOH H O 1 HETATM 5032 O O B HOH Q 12 . ? 68.802 -15.392 90.311 0.51 29.27 ? 2240 HOH H O 1 HETATM 5033 O O . HOH Q 12 . ? 72.944 -13.797 85.782 1.00 47.92 ? 2241 HOH H O 1 HETATM 5034 O O . HOH Q 12 . ? 71.480 -10.380 87.857 1.00 20.12 ? 2242 HOH H O 1 HETATM 5035 O O . HOH Q 12 . ? 70.151 -16.132 93.003 1.00 48.36 ? 2243 HOH H O 1 HETATM 5036 O O . HOH Q 12 . ? 72.469 -15.178 92.320 1.00 28.34 ? 2244 HOH H O 1 HETATM 5037 O O . HOH Q 12 . ? 71.252 -12.238 84.043 1.00 50.27 ? 2245 HOH H O 1 HETATM 5038 O O . HOH Q 12 . ? 59.176 10.520 101.739 1.00 12.09 ? 2246 HOH H O 1 HETATM 5039 O O . HOH Q 12 . ? 55.638 12.732 93.965 1.00 12.25 ? 2247 HOH H O 1 HETATM 5040 O O B HOH Q 12 . ? 56.837 15.512 96.626 0.64 17.88 ? 2248 HOH H O 1 HETATM 5041 O O . HOH Q 12 . ? 59.461 18.086 104.265 1.00 13.92 ? 2249 HOH H O 1 HETATM 5042 O O . HOH Q 12 . ? 57.627 14.661 103.992 1.00 21.59 ? 2250 HOH H O 1 HETATM 5043 O O . HOH Q 12 . ? 60.924 20.828 102.319 1.00 20.87 ? 2251 HOH H O 1 HETATM 5044 O O A HOH Q 12 . ? 62.011 19.590 96.564 0.50 28.35 ? 2252 HOH H O 1 HETATM 5045 O O B HOH Q 12 . ? 64.255 19.731 97.499 0.50 28.29 ? 2252 HOH H O 1 HETATM 5046 O O . HOH Q 12 . ? 67.593 19.920 99.099 1.00 36.95 ? 2254 HOH H O 1 HETATM 5047 O O A HOH Q 12 . ? 59.756 18.154 100.988 0.36 17.89 ? 2255 HOH H O 1 HETATM 5048 O O . HOH Q 12 . ? 58.060 13.056 101.567 1.00 22.30 ? 2256 HOH H O 1 HETATM 5049 O O . HOH Q 12 . ? 55.624 13.120 100.381 1.00 21.22 ? 2257 HOH H O 1 HETATM 5050 O O . HOH Q 12 . ? 65.699 21.748 92.141 1.00 41.10 ? 2258 HOH H O 1 HETATM 5051 O O . HOH Q 12 . ? 69.110 22.499 93.968 1.00 52.74 ? 2259 HOH H O 1 HETATM 5052 O O . HOH Q 12 . ? 69.960 18.078 96.567 1.00 41.37 ? 2260 HOH H O 1 HETATM 5053 O O . HOH Q 12 . ? 73.983 4.387 101.148 1.00 9.57 ? 2261 HOH H O 1 HETATM 5054 O O . HOH Q 12 . ? 73.759 -13.228 93.852 1.00 16.10 ? 2262 HOH H O 1 HETATM 5055 O O . HOH Q 12 . ? 74.422 -16.612 95.636 1.00 53.10 ? 2263 HOH H O 1 HETATM 5056 O O . HOH Q 12 . ? 69.702 -13.758 99.813 1.00 21.50 ? 2264 HOH H O 1 HETATM 5057 O O . HOH Q 12 . ? 66.062 -15.544 98.134 1.00 15.78 ? 2265 HOH H O 1 HETATM 5058 O O . HOH Q 12 . ? 71.854 -14.191 101.252 1.00 18.03 ? 2266 HOH H O 1 HETATM 5059 O O . HOH Q 12 . ? 73.977 -20.144 98.615 1.00 47.76 ? 2267 HOH H O 1 HETATM 5060 O O . HOH Q 12 . ? 60.818 -12.898 100.902 1.00 14.16 ? 2268 HOH H O 1 HETATM 5061 O O . HOH Q 12 . ? 58.160 -16.127 95.658 1.00 36.36 ? 2269 HOH H O 1 HETATM 5062 O O . HOH Q 12 . ? 71.206 -21.197 99.450 1.00 50.41 ? 2270 HOH H O 1 HETATM 5063 O O . HOH Q 12 . ? 67.554 -20.994 101.094 1.00 27.32 ? 2271 HOH H O 1 HETATM 5064 O O . HOH Q 12 . ? 60.721 -19.709 100.392 1.00 36.76 ? 2272 HOH H O 1 HETATM 5065 O O . HOH Q 12 . ? 65.195 -20.179 102.741 1.00 35.36 ? 2273 HOH H O 1 HETATM 5066 O O . HOH Q 12 . ? 66.873 -15.654 108.268 1.00 17.65 ? 2274 HOH H O 1 HETATM 5067 O O . HOH Q 12 . ? 71.538 -21.045 102.101 1.00 22.04 ? 2275 HOH H O 1 HETATM 5068 O O . HOH Q 12 . ? 64.611 -14.157 108.965 1.00 22.75 ? 2276 HOH H O 1 HETATM 5069 O O . HOH Q 12 . ? 75.176 2.725 107.523 1.00 24.59 ? 2277 HOH H O 1 HETATM 5070 O O . HOH Q 12 . ? 75.596 5.746 106.299 1.00 28.02 ? 2278 HOH H O 1 HETATM 5071 O O . HOH Q 12 . ? 81.508 8.245 102.310 1.00 25.19 ? 2279 HOH H O 1 HETATM 5072 O O . HOH Q 12 . ? 83.421 6.804 101.009 1.00 19.12 ? 2280 HOH H O 1 HETATM 5073 O O . HOH Q 12 . ? 83.442 4.438 103.991 1.00 40.29 ? 2281 HOH H O 1 HETATM 5074 O O . HOH Q 12 . ? 76.300 13.936 95.430 1.00 43.69 ? 2282 HOH H O 1 HETATM 5075 O O . HOH Q 12 . ? 86.617 11.779 97.039 1.00 36.35 ? 2283 HOH H O 1 HETATM 5076 O O . HOH Q 12 . ? 88.464 6.216 97.260 1.00 51.12 ? 2285 HOH H O 1 HETATM 5077 O O . HOH Q 12 . ? 81.313 13.350 97.338 1.00 46.41 ? 2286 HOH H O 1 HETATM 5078 O O . HOH Q 12 . ? 89.966 12.849 91.932 1.00 44.04 ? 2287 HOH H O 1 HETATM 5079 O O . HOH Q 12 . ? 81.856 15.407 85.178 1.00 53.56 ? 2288 HOH H O 1 HETATM 5080 O O . HOH Q 12 . ? 77.451 -3.463 113.046 1.00 51.76 ? 2289 HOH H O 1 HETATM 5081 O O . HOH Q 12 . ? 90.943 -9.603 101.628 1.00 55.16 ? 2290 HOH H O 1 HETATM 5082 O O . HOH Q 12 . ? 89.192 -4.495 106.248 1.00 20.74 ? 2291 HOH H O 1 HETATM 5083 O O . HOH Q 12 . ? 69.664 -7.496 96.146 1.00 10.10 ? 2292 HOH H O 1 HETATM 5084 O O . HOH R 12 . ? 61.701 -2.205 64.813 1.00 37.76 ? 2001 HOH I O 1 HETATM 5085 O O . HOH R 12 . ? 62.978 -6.529 65.481 1.00 36.59 ? 2002 HOH I O 1 HETATM 5086 O O . HOH R 12 . ? 64.216 -0.631 65.474 1.00 37.06 ? 2003 HOH I O 1 HETATM 5087 O O . HOH R 12 . ? 70.183 3.524 62.509 1.00 44.55 ? 2004 HOH I O 1 HETATM 5088 O O . HOH S 12 . ? 67.282 19.242 85.257 1.00 51.12 ? 2001 HOH L O 1 HETATM 5089 O O . HOH S 12 . ? 57.049 18.305 84.344 1.00 19.18 ? 2002 HOH L O 1 HETATM 5090 O O . HOH S 12 . ? 52.299 11.351 86.147 1.00 13.79 ? 2003 HOH L O 1 HETATM 5091 O O . HOH S 12 . ? 55.609 21.994 86.795 1.00 42.11 ? 2004 HOH L O 1 HETATM 5092 O O . HOH S 12 . ? 51.438 13.190 84.304 1.00 23.45 ? 2005 HOH L O 1 HETATM 5093 O O . HOH S 12 . ? 52.467 16.121 95.496 1.00 32.54 ? 2006 HOH L O 1 HETATM 5094 O O . HOH S 12 . ? 55.010 15.467 94.576 1.00 23.87 ? 2007 HOH L O 1 HETATM 5095 O O . HOH S 12 . ? 48.853 12.994 93.219 1.00 24.67 ? 2008 HOH L O 1 HETATM 5096 O O . HOH S 12 . ? 49.509 10.791 90.239 1.00 31.99 ? 2009 HOH L O 1 HETATM 5097 O O . HOH S 12 . ? 52.797 10.273 100.137 1.00 20.66 ? 2010 HOH L O 1 HETATM 5098 O O . HOH S 12 . ? 51.503 6.909 97.270 1.00 13.42 ? 2011 HOH L O 1 HETATM 5099 O O . HOH S 12 . ? 51.283 3.371 99.255 1.00 30.60 ? 2012 HOH L O 1 HETATM 5100 O O . HOH S 12 . ? 49.454 5.258 98.201 1.00 43.52 ? 2013 HOH L O 1 HETATM 5101 O O . HOH S 12 . ? 57.545 9.085 100.036 1.00 11.59 ? 2014 HOH L O 1 HETATM 5102 O O . HOH S 12 . ? 55.351 10.641 99.433 1.00 14.98 ? 2015 HOH L O 1 HETATM 5103 O O . HOH S 12 . ? 50.713 3.111 101.994 1.00 31.90 ? 2016 HOH L O 1 HETATM 5104 O O . HOH S 12 . ? 51.826 0.405 98.801 1.00 28.00 ? 2017 HOH L O 1 HETATM 5105 O O . HOH S 12 . ? 54.483 -2.287 98.098 1.00 50.73 ? 2018 HOH L O 1 HETATM 5106 O O . HOH S 12 . ? 56.011 9.162 108.313 1.00 16.35 ? 2019 HOH L O 1 HETATM 5107 O O . HOH S 12 . ? 53.796 5.661 110.095 1.00 20.83 ? 2020 HOH L O 1 HETATM 5108 O O . HOH S 12 . ? 55.143 2.272 109.598 1.00 37.32 ? 2021 HOH L O 1 HETATM 5109 O O . HOH S 12 . ? 52.459 1.707 105.748 1.00 20.74 ? 2022 HOH L O 1 HETATM 5110 O O . HOH S 12 . ? 50.044 8.433 105.041 1.00 25.92 ? 2023 HOH L O 1 HETATM 5111 O O . HOH S 12 . ? 49.085 2.188 105.229 1.00 27.82 ? 2024 HOH L O 1 HETATM 5112 O O . HOH S 12 . ? 51.215 12.103 81.864 1.00 31.89 ? 2025 HOH L O 1 HETATM 5113 O O . HOH S 12 . ? 47.240 11.669 91.262 1.00 49.98 ? 2026 HOH L O 1 HETATM 5114 O O . HOH S 12 . ? 48.044 4.062 101.445 1.00 35.98 ? 2027 HOH L O 1 HETATM 5115 O O . HOH S 12 . ? 53.387 9.618 107.105 1.00 29.01 ? 2028 HOH L O 1 HETATM 5116 O O . HOH S 12 . ? 55.160 7.860 110.659 1.00 41.04 ? 2029 HOH L O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . ILE A 1 ? 0.2062 0.0961 0.1687 0.0130 -0.0840 -0.0256 16 ILE H N 2 C CA . ILE A 1 ? 0.2012 0.0765 0.1800 -0.0012 -0.0982 -0.0024 16 ILE H CA 3 C C . ILE A 1 ? 0.1967 0.0833 0.1819 -0.0064 -0.1028 0.0040 16 ILE H C 4 O O . ILE A 1 ? 0.1945 0.0996 0.1925 -0.0115 -0.1090 -0.0062 16 ILE H O 5 C CB . ILE A 1 ? 0.1783 0.0828 0.1814 0.0002 -0.0754 -0.0077 16 ILE H CB 6 C CG1 . ILE A 1 ? 0.1579 0.0957 0.1665 0.0026 -0.0636 -0.0111 16 ILE H CG1 7 C CG2 . ILE A 1 ? 0.1774 0.1101 0.1980 -0.0120 -0.0710 -0.0122 16 ILE H CG2 8 C CD1 . ILE A 1 ? 0.1660 0.0962 0.1635 0.0156 -0.0708 -0.0122 16 ILE H CD1 19 N N . VAL A 2 ? 0.2063 0.1124 0.1929 -0.0167 -0.1085 0.0254 17 VAL H N 20 C CA . VAL A 2 ? 0.2107 0.1207 0.2287 -0.0450 -0.1080 0.0319 17 VAL H CA 21 C C . VAL A 2 ? 0.2057 0.1292 0.2211 -0.0580 -0.1121 0.0375 17 VAL H C 22 O O . VAL A 2 ? 0.2238 0.1427 0.2121 -0.0619 -0.1122 0.0397 17 VAL H O 23 C CB . VAL A 2 ? 0.2207 0.1166 0.2641 -0.0410 -0.1200 0.0537 17 VAL H CB 24 C CG1 . VAL A 2 ? 0.2273 0.1256 0.2720 -0.0577 -0.1153 0.0611 17 VAL H CG1 25 C CG2 . VAL A 2 ? 0.2215 0.1482 0.2992 -0.0242 -0.1324 0.0633 17 VAL H CG2 35 N N . GLU A 3 ? 0.2174 0.1490 0.2383 -0.0458 -0.1042 0.0176 18 GLU H N 36 C CA . GLU A 3 ? 0.2380 0.1697 0.2556 -0.0588 -0.1080 0.0228 18 GLU H CA 37 C C . GLU A 3 ? 0.2247 0.1705 0.2407 -0.0526 -0.0919 0.0012 18 GLU H C 38 O O . GLU A 3 ? 0.2423 0.2130 0.2415 -0.0649 -0.0668 -0.0153 18 GLU H O 39 C CB . GLU A 3 ? 0.2811 0.2022 0.3044 -0.0754 -0.1064 0.0245 18 GLU H CB 40 C CG . GLU A 3 ? 0.3276 0.2249 0.3784 -0.0730 -0.0910 0.0243 18 GLU H CG 41 C CD . GLU A 3 ? 0.3651 0.2362 0.4763 -0.0918 -0.0687 -0.0099 18 GLU H CD 42 O OE1 . GLU A 3 ? 0.3890 0.2697 0.5267 -0.0904 -0.0401 0.0106 18 GLU H OE1 43 O OE2 . GLU A 3 ? 0.3915 0.2833 0.5380 -0.0933 -0.0496 -0.0142 18 GLU H OE2 50 N N . GLY A 4 ? 0.2014 0.1448 0.2334 -0.0375 -0.0889 0.0020 19 GLY H N 51 C CA . GLY A 4 ? 0.1944 0.1333 0.2436 -0.0117 -0.0858 0.0063 19 GLY H CA 52 C C . GLY A 4 ? 0.1814 0.1513 0.2680 -0.0270 -0.0922 -0.0059 19 GLY H C 53 O O . GLY A 4 ? 0.1958 0.1655 0.3024 -0.0529 -0.1139 0.0073 19 GLY H O 57 N N . SER A 5 ? 0.1797 0.1576 0.2578 -0.0370 -0.0935 -0.0033 20 SER H N 58 C CA A SER A 5 ? 0.1806 0.1717 0.2544 -0.0317 -0.0969 -0.0069 20 SER H CA 59 C CA B SER A 5 ? 0.1810 0.1691 0.2484 -0.0361 -0.0938 -0.0010 20 SER H CA 60 C C . SER A 5 ? 0.1674 0.1613 0.2265 -0.0238 -0.0999 -0.0101 20 SER H C 61 O O . SER A 5 ? 0.1659 0.1552 0.2032 -0.0083 -0.0873 -0.0129 20 SER H O 62 C CB A SER A 5 ? 0.2278 0.2115 0.2962 -0.0017 -0.0588 -0.0047 20 SER H CB 63 C CB B SER A 5 ? 0.2214 0.2031 0.2775 -0.0226 -0.0630 0.0182 20 SER H CB 64 O OG A SER A 5 ? 0.2464 0.2299 0.3172 0.0130 -0.0238 -0.0342 20 SER H OG 65 O OG B SER A 5 ? 0.2549 0.2252 0.2990 -0.0089 -0.0231 0.0226 20 SER H OG 76 N N . ASP A 6 ? 0.1731 0.1457 0.2486 -0.0141 -0.1076 -0.0134 21 ASP H N 77 C CA . ASP A 6 ? 0.1787 0.1395 0.2255 0.0025 -0.0885 -0.0252 21 ASP H CA 78 C C . ASP A 6 ? 0.1669 0.1321 0.2146 0.0174 -0.0749 -0.0194 21 ASP H C 79 O O . ASP A 6 ? 0.1893 0.1514 0.2616 0.0136 -0.0507 -0.0296 21 ASP H O 80 C CB . ASP A 6 ? 0.1764 0.1773 0.2311 0.0025 -0.1077 -0.0213 21 ASP H CB 81 C CG . ASP A 6 ? 0.1944 0.2108 0.2681 0.0072 -0.1321 -0.0272 21 ASP H CG 82 O OD1 . ASP A 6 ? 0.1991 0.1827 0.2804 -0.0065 -0.1311 -0.0341 21 ASP H OD1 83 O OD2 . ASP A 6 ? 0.2306 0.2508 0.3214 0.0160 -0.1539 -0.0502 21 ASP H OD2 88 N N . ALA A 7 ? 0.1732 0.1243 0.1952 0.0155 -0.0654 -0.0163 22 ALA H N 89 C CA . ALA A 7 ? 0.1776 0.1191 0.1833 0.0068 -0.0537 -0.0358 22 ALA H CA 90 C C . ALA A 7 ? 0.1732 0.1324 0.1467 0.0183 -0.0568 -0.0347 22 ALA H C 91 O O . ALA A 7 ? 0.1933 0.1443 0.1630 0.0197 -0.0579 -0.0415 22 ALA H O 92 C CB . ALA A 7 ? 0.1831 0.1202 0.2226 0.0060 -0.0547 -0.0414 22 ALA H CB 98 N N . GLU A 8 ? 0.1681 0.1305 0.1397 0.0233 -0.0528 -0.0282 23 GLU H N 99 C CA . GLU A 8 ? 0.1713 0.1294 0.1375 0.0253 -0.0607 -0.0260 23 GLU H CA 100 C C . GLU A 8 ? 0.1694 0.1195 0.1263 0.0309 -0.0662 -0.0304 23 GLU H C 101 O O . GLU A 8 ? 0.1597 0.1108 0.1435 0.0365 -0.0587 -0.0187 23 GLU H O 102 C CB . GLU A 8 ? 0.1662 0.1279 0.1401 0.0256 -0.0513 -0.0131 23 GLU H CB 103 C CG . GLU A 8 ? 0.1712 0.1719 0.1778 0.0251 -0.0523 -0.0283 23 GLU H CG 104 C CD . GLU A 8 ? 0.1834 0.2204 0.1936 0.0388 -0.0605 -0.0418 23 GLU H CD 105 O OE1 . GLU A 8 ? 0.2265 0.2179 0.2424 0.0437 -0.0383 -0.0394 23 GLU H OE1 106 O OE2 . GLU A 8 ? 0.2336 0.2830 0.1907 0.0391 -0.0767 -0.0630 23 GLU H OE2 113 N N . ILE A 9 ? 0.1838 0.1436 0.1260 0.0436 -0.0706 -0.0283 24 ILE H N 114 C CA . ILE A 9 ? 0.1993 0.1457 0.1123 0.0543 -0.0685 -0.0369 24 ILE H CA 115 C C . ILE A 9 ? 0.1874 0.1243 0.1044 0.0629 -0.0573 -0.0194 24 ILE H C 116 O O . ILE A 9 ? 0.1758 0.1343 0.1169 0.0555 -0.0516 -0.0349 24 ILE H O 117 C CB . ILE A 9 ? 0.2035 0.1609 0.1294 0.0536 -0.0728 -0.0433 24 ILE H CB 118 C CG1 . ILE A 9 ? 0.2211 0.1726 0.1457 0.0463 -0.0867 -0.0403 24 ILE H CG1 119 C CG2 . ILE A 9 ? 0.2284 0.1650 0.1189 0.0534 -0.0705 -0.0238 24 ILE H CG2 120 C CD1 . ILE A 9 ? 0.2521 0.1613 0.1688 0.0429 -0.0720 -0.0443 24 ILE H CD1 132 N N . GLY A 10 ? 0.1771 0.1174 0.1143 0.0589 -0.0419 -0.0211 25 GLY H N 133 C CA . GLY A 10 ? 0.1825 0.1129 0.1114 0.0432 -0.0514 -0.0133 25 GLY H CA 134 C C . GLY A 10 ? 0.1615 0.0970 0.1002 0.0517 -0.0500 -0.0029 25 GLY H C 135 O O . GLY A 10 ? 0.1563 0.0955 0.1167 0.0455 -0.0485 -0.0113 25 GLY H O 139 N N . MET A 11 ? 0.1551 0.0964 0.1101 0.0389 -0.0556 -0.0060 26 MET H N 140 C CA . MET A 11 ? 0.1431 0.0986 0.1139 0.0337 -0.0518 -0.0057 26 MET H CA 141 C C . MET A 11 ? 0.1423 0.0719 0.1015 0.0354 -0.0458 -0.0154 26 MET H C 142 O O . MET A 11 ? 0.1379 0.0750 0.1047 0.0312 -0.0414 -0.0106 26 MET H O 143 C CB . MET A 11 ? 0.1549 0.1053 0.1268 0.0194 -0.0484 0.0028 26 MET H CB 144 C CG . MET A 11 ? 0.1973 0.1291 0.1493 -0.0036 -0.0272 -0.0074 26 MET H CG 145 S SD . MET A 11 ? 0.2205 0.1217 0.1535 -0.0266 -0.0342 -0.0118 26 MET H SD 146 C CE . MET A 11 ? 0.2024 0.1430 0.1796 -0.0160 -0.0272 -0.0198 26 MET H CE 156 N N . SER A 12 ? 0.1538 0.0842 0.0907 0.0308 -0.0534 -0.0106 27 SER H N 157 C CA A SER A 12 ? 0.1640 0.0798 0.0971 0.0373 -0.0411 -0.0053 27 SER H CA 158 C CA B SER A 12 ? 0.1589 0.0812 0.0952 0.0333 -0.0457 -0.0118 27 SER H CA 159 C C . SER A 12 ? 0.1479 0.0763 0.0918 0.0329 -0.0435 -0.0076 27 SER H C 160 O O . SER A 12 ? 0.1460 0.0810 0.1018 0.0349 -0.0361 -0.0089 27 SER H O 161 C CB A SER A 12 ? 0.1668 0.0883 0.1074 0.0368 -0.0415 -0.0148 27 SER H CB 162 C CB B SER A 12 ? 0.1718 0.0802 0.1025 0.0378 -0.0455 -0.0198 27 SER H CB 163 O OG A SER A 12 ? 0.1649 0.0901 0.1179 0.0422 -0.0568 0.0064 27 SER H OG 164 O OG B SER A 12 ? 0.1834 0.0802 0.1085 0.0504 -0.0477 -0.0155 27 SER H OG 175 N N . PRO A 13 ? 0.1404 0.0759 0.1017 0.0385 -0.0390 0.0060 28 PRO H N 176 C CA . PRO A 13 ? 0.1548 0.0791 0.0990 0.0318 -0.0380 0.0099 28 PRO H CA 177 C C . PRO A 13 ? 0.1454 0.0853 0.0963 0.0421 -0.0451 0.0002 28 PRO H C 178 O O . PRO A 13 ? 0.1584 0.0925 0.0941 0.0432 -0.0326 0.0067 28 PRO H O 179 C CB . PRO A 13 ? 0.1513 0.0846 0.1070 0.0441 -0.0430 0.0098 28 PRO H CB 180 C CG . PRO A 13 ? 0.1504 0.0809 0.1204 0.0497 -0.0359 0.0058 28 PRO H CG 181 C CD . PRO A 13 ? 0.1442 0.0819 0.1017 0.0506 -0.0385 -0.0028 28 PRO H CD 189 N N . TRP A 14 ? 0.1287 0.0826 0.0953 0.0357 -0.0334 0.0018 29 TRP H N 190 C CA . TRP A 14 ? 0.1373 0.0859 0.1014 0.0331 -0.0255 0.0036 29 TRP H CA 191 C C . TRP A 14 ? 0.1209 0.0962 0.0954 0.0298 -0.0333 -0.0005 29 TRP H C 192 O O . TRP A 14 ? 0.1311 0.0881 0.1088 0.0330 -0.0326 -0.0041 29 TRP H O 193 C CB . TRP A 14 ? 0.1372 0.0787 0.0972 0.0324 -0.0391 0.0059 29 TRP H CB 194 C CG . TRP A 14 ? 0.1378 0.0785 0.0958 0.0303 -0.0352 0.0131 29 TRP H CG 195 C CD1 . TRP A 14 ? 0.1378 0.0913 0.0990 0.0319 -0.0361 0.0088 29 TRP H CD1 196 C CD2 . TRP A 14 ? 0.1381 0.0811 0.0924 0.0230 -0.0402 -0.0029 29 TRP H CD2 197 N NE1 . TRP A 14 ? 0.1457 0.0880 0.0986 0.0147 -0.0346 0.0136 29 TRP H NE1 198 C CE2 . TRP A 14 ? 0.1437 0.0820 0.0986 0.0288 -0.0408 0.0028 29 TRP H CE2 199 C CE3 . TRP A 14 ? 0.1370 0.0798 0.1048 0.0265 -0.0329 -0.0002 29 TRP H CE3 200 C CZ2 . TRP A 14 ? 0.1432 0.1114 0.0948 0.0320 -0.0388 0.0051 29 TRP H CZ2 201 C CZ3 . TRP A 14 ? 0.1461 0.0924 0.1064 0.0353 -0.0465 -0.0098 29 TRP H CZ3 202 C CH2 . TRP A 14 ? 0.1411 0.1130 0.1035 0.0385 -0.0399 -0.0067 29 TRP H CH2 213 N N . GLN A 15 ? 0.1117 0.0947 0.1199 0.0338 -0.0330 -0.0063 30 GLN H N 214 C CA A GLN A 15 ? 0.1373 0.0846 0.1172 0.0477 -0.0380 -0.0091 30 GLN H CA 215 C CA B GLN A 15 ? 0.1414 0.0927 0.1228 0.0452 -0.0330 -0.0265 30 GLN H CA 216 C C . GLN A 15 ? 0.1500 0.0870 0.1163 0.0480 -0.0442 -0.0186 30 GLN H C 217 O O . GLN A 15 ? 0.1788 0.1204 0.1041 0.0725 -0.0518 -0.0160 30 GLN H O 218 C CB A GLN A 15 ? 0.1294 0.0921 0.1095 0.0329 -0.0464 -0.0036 30 GLN H CB 219 C CB B GLN A 15 ? 0.1533 0.1043 0.1294 0.0391 -0.0154 -0.0454 30 GLN H CB 220 C CG A GLN A 15 ? 0.1084 0.0889 0.1124 0.0251 -0.0608 -0.0091 30 GLN H CG 221 C CG B GLN A 15 ? 0.1447 0.1073 0.1226 0.0432 -0.0257 -0.0369 30 GLN H CG 222 C CD A GLN A 15 ? 0.1250 0.0813 0.1003 0.0288 -0.0539 0.0042 30 GLN H CD 223 C CD B GLN A 15 ? 0.1845 0.1230 0.1239 0.0417 -0.0309 -0.0257 30 GLN H CD 224 O OE1 A GLN A 15 ? 0.1596 0.0700 0.0901 0.0341 -0.0326 -0.0037 30 GLN H OE1 225 O OE1 B GLN A 15 ? 0.1992 0.1546 0.1185 0.0241 -0.0497 -0.0093 30 GLN H OE1 226 N NE2 A GLN A 15 ? 0.1463 0.0938 0.1138 0.0172 -0.0678 0.0006 30 GLN H NE2 227 N NE2 B GLN A 15 ? 0.2250 0.1471 0.1057 0.0659 -0.0173 -0.0311 30 GLN H NE2 244 N N . VAL A 16 ? 0.1500 0.0894 0.0973 0.0466 -0.0387 -0.0139 31 VAL H N 245 C CA . VAL A 16 ? 0.1611 0.1088 0.0887 0.0454 -0.0480 -0.0040 31 VAL H CA 246 C C . VAL A 16 ? 0.1720 0.1062 0.0916 0.0632 -0.0410 -0.0038 31 VAL H C 247 O O . VAL A 16 ? 0.1841 0.0956 0.0964 0.0618 -0.0427 -0.0076 31 VAL H O 248 C CB . VAL A 16 ? 0.1746 0.1145 0.0925 0.0489 -0.0382 -0.0017 31 VAL H CB 249 C CG1 . VAL A 16 ? 0.1902 0.1438 0.0888 0.0539 -0.0252 -0.0184 31 VAL H CG1 250 C CG2 . VAL A 16 ? 0.1801 0.1146 0.1139 0.0386 -0.0372 0.0013 31 VAL H CG2 260 N N . MET A 17 ? 0.2011 0.1158 0.0915 0.0666 -0.0383 -0.0181 32 MET H N 261 C CA . MET A 17 ? 0.2003 0.1229 0.1015 0.0608 -0.0388 -0.0232 32 MET H CA 262 C C . MET A 17 ? 0.1997 0.1324 0.1037 0.0589 -0.0375 -0.0245 32 MET H C 263 O O . MET A 17 ? 0.2235 0.1454 0.1199 0.0701 -0.0148 -0.0005 32 MET H O 264 C CB . MET A 17 ? 0.2001 0.1271 0.1098 0.0583 -0.0417 -0.0200 32 MET H CB 265 C CG . MET A 17 ? 0.2278 0.1517 0.1369 0.0689 -0.0481 -0.0385 32 MET H CG 266 S SD . MET A 17 ? 0.2415 0.1674 0.1448 0.0549 -0.0590 -0.0588 32 MET H SD 267 C CE . MET A 17 ? 0.2360 0.1785 0.1417 0.0759 -0.0889 -0.0535 32 MET H CE 277 N N . LEU A 18 ? 0.1992 0.1361 0.1065 0.0652 -0.0303 -0.0084 33 LEU H N 278 C CA A LEU A 18 ? 0.2049 0.1344 0.1362 0.0514 -0.0129 -0.0148 33 LEU H CA 279 C CA B LEU A 18 ? 0.1978 0.1396 0.1321 0.0552 -0.0078 -0.0128 33 LEU H CA 280 C C . LEU A 18 ? 0.2235 0.1337 0.1285 0.0571 -0.0104 -0.0212 33 LEU H C 281 O O . LEU A 18 ? 0.2429 0.1481 0.1375 0.0592 -0.0228 -0.0322 33 LEU H O 282 C CB A LEU A 18 ? 0.2058 0.1477 0.1535 0.0684 -0.0189 -0.0176 33 LEU H CB 283 C CB B LEU A 18 ? 0.1876 0.1651 0.1475 0.0726 -0.0102 -0.0085 33 LEU H CB 284 C CG A LEU A 18 ? 0.2166 0.1655 0.1529 0.0726 -0.0369 -0.0339 33 LEU H CG 285 C CG B LEU A 18 ? 0.1901 0.1867 0.1482 0.0736 -0.0243 -0.0048 33 LEU H CG 286 C CD1 A LEU A 18 ? 0.2254 0.1436 0.1512 0.0714 -0.0394 -0.0114 33 LEU H CD1 287 C CD1 B LEU A 18 ? 0.1812 0.2055 0.1308 0.0666 -0.0097 -0.0139 33 LEU H CD1 288 C CD2 A LEU A 18 ? 0.1964 0.2012 0.1534 0.0897 -0.0665 -0.0557 33 LEU H CD2 289 C CD2 B LEU A 18 ? 0.1851 0.1967 0.1544 0.0632 -0.0411 0.0006 33 LEU H CD2 312 N N . PHE A 19 ? 0.2960 0.1679 0.1347 0.0678 0.0071 -0.0365 34 PHE H N 313 C CA . PHE A 19 ? 0.3398 0.1889 0.1533 0.0976 0.0204 -0.0245 34 PHE H CA 314 C C . PHE A 19 ? 0.3636 0.2155 0.1600 0.1228 0.0074 -0.0366 34 PHE H C 315 O O . PHE A 19 ? 0.3783 0.2288 0.2059 0.1241 0.0608 -0.0242 34 PHE H O 316 C CB . PHE A 19 ? 0.3464 0.1894 0.1557 0.1067 -0.0010 -0.0412 34 PHE H CB 317 C CG . PHE A 19 ? 0.3411 0.2123 0.1994 0.1243 0.0044 -0.0358 34 PHE H CG 318 C CD1 . PHE A 19 ? 0.3390 0.2441 0.2756 0.1378 -0.0337 -0.0117 34 PHE H CD1 319 C CD2 . PHE A 19 ? 0.3657 0.2424 0.2238 0.1086 -0.0219 -0.0830 34 PHE H CD2 320 C CE1 . PHE A 19 ? 0.3465 0.2468 0.3187 0.1385 -0.0539 -0.0229 34 PHE H CE1 321 C CE2 . PHE A 19 ? 0.3566 0.2532 0.2732 0.1119 -0.0556 -0.0806 34 PHE H CE2 322 C CZ . PHE A 19 ? 0.3437 0.2445 0.2915 0.1123 -0.0855 -0.0709 34 PHE H CZ 332 N N . ARG A 20 ? 0.3574 0.2454 0.1697 0.1436 -0.0602 -0.0723 35 ARG H N 333 C CA . ARG A 20 ? 0.3693 0.2799 0.2070 0.1757 -0.0881 -0.0831 35 ARG H CA 334 C C . ARG A 20 ? 0.3669 0.3403 0.1960 0.1903 -0.0736 -0.0917 35 ARG H C 335 O O . ARG A 20 ? 0.3642 0.3640 0.1995 0.1950 -0.0773 -0.0990 35 ARG H O 336 C CB . ARG A 20 ? 0.3863 0.2884 0.2670 0.1830 -0.1116 -0.0903 35 ARG H CB 337 C CG . ARG A 20 ? 0.4037 0.3129 0.3093 0.1933 -0.1222 -0.1029 35 ARG H CG 338 C CD . ARG A 20 ? 0.4358 0.3579 0.3801 0.2021 -0.1283 -0.0948 35 ARG H CD 339 N NE . ARG A 20 ? 0.4708 0.3802 0.4359 0.1902 -0.1211 -0.0933 35 ARG H NE 340 C CZ . ARG A 20 ? 0.4854 0.3994 0.4854 0.2036 -0.1064 -0.0657 35 ARG H CZ 341 N NH1 . ARG A 20 ? 0.4867 0.4029 0.5083 0.2279 -0.0917 -0.0365 35 ARG H NH1 342 N NH2 . ARG A 20 ? 0.4922 0.4050 0.4996 0.1943 -0.1073 -0.0874 35 ARG H NH2 356 N N . LYS A 21 ? 0.3864 0.3896 0.1824 0.1977 -0.0450 -0.0781 36 LYS H N 357 C CA . LYS A 21 ? 0.4248 0.4304 0.1949 0.1959 -0.0207 -0.0811 36 LYS H CA 358 C C . LYS A 21 ? 0.4547 0.4526 0.2359 0.1922 -0.0145 -0.1123 36 LYS H C 359 O O . LYS A 21 ? 0.4844 0.4954 0.2123 0.1832 -0.0322 -0.1057 36 LYS H O 360 C CB . LYS A 21 ? 0.4451 0.4541 0.1882 0.1983 0.0006 -0.0610 36 LYS H CB 361 C CG . LYS A 21 ? 0.4624 0.4827 0.1999 0.2047 0.0104 -0.0530 36 LYS H CG 362 C CD . LYS A 21 ? 0.4819 0.5213 0.2504 0.1918 0.0072 -0.0225 36 LYS H CD 363 C CE . LYS A 21 ? 0.4910 0.5464 0.2647 0.1872 0.0216 0.0055 36 LYS H CE 364 N NZ . LYS A 21 ? 0.4904 0.5614 0.2914 0.1752 0.0148 0.0426 36 LYS H NZ 378 N N . SER A 22 A 0.4573 0.4378 0.2769 0.1783 0.0031 -0.1365 36 SER H N 379 C CA . SER A 22 A 0.4762 0.4425 0.3354 0.1655 0.0246 -0.1661 36 SER H CA 380 C C . SER A 22 A 0.4824 0.4246 0.3848 0.1762 0.0016 -0.1801 36 SER H C 381 O O . SER A 22 A 0.5067 0.4289 0.4187 0.1839 -0.0168 -0.1935 36 SER H O 382 C CB . SER A 22 A 0.5074 0.4692 0.3529 0.1580 0.0463 -0.1788 36 SER H CB 385 N N . PRO A 23 ? 0.4899 0.4320 0.3990 0.1777 -0.0136 -0.1877 37 PRO H N 386 C CA . PRO A 23 ? 0.4954 0.4288 0.3797 0.1480 -0.0324 -0.2059 37 PRO H CA 387 C C . PRO A 23 ? 0.4557 0.4156 0.3328 0.1261 -0.0476 -0.1980 37 PRO H C 388 O O . PRO A 23 ? 0.4319 0.4059 0.3223 0.1158 -0.0735 -0.1961 37 PRO H O 389 C CB . PRO A 23 ? 0.5225 0.4469 0.4035 0.1454 -0.0343 -0.2012 37 PRO H CB 390 C CG . PRO A 23 ? 0.5276 0.4631 0.4186 0.1525 -0.0231 -0.1833 37 PRO H CG 391 C CD . PRO A 23 ? 0.5189 0.4618 0.4257 0.1577 -0.0164 -0.1751 37 PRO H CD 399 N N . GLN A 24 ? 0.4546 0.4270 0.3061 0.1339 -0.0633 -0.1876 38 GLN H N 400 C CA . GLN A 24 ? 0.4618 0.4317 0.2896 0.1363 -0.0942 -0.1757 38 GLN H CA 401 C C . GLN A 24 ? 0.4576 0.3870 0.2998 0.1061 -0.1029 -0.1765 38 GLN H C 402 O O . GLN A 24 ? 0.4939 0.4036 0.3133 0.0871 -0.0910 -0.1892 38 GLN H O 403 C CB . GLN A 24 ? 0.4915 0.4821 0.2799 0.1526 -0.1090 -0.1598 38 GLN H CB 404 C CG . GLN A 24 ? 0.5212 0.5015 0.2915 0.1606 -0.1063 -0.1481 38 GLN H CG 405 C CD . GLN A 24 ? 0.5504 0.5065 0.3114 0.1699 -0.0864 -0.1500 38 GLN H CD 406 O OE1 . GLN A 24 ? 0.5737 0.5232 0.3369 0.1512 -0.0944 -0.1477 38 GLN H OE1 407 N NE2 . GLN A 24 ? 0.5625 0.5150 0.3229 0.1706 -0.0788 -0.1276 38 GLN H NE2 416 N N . GLU A 25 ? 0.4242 0.3344 0.2833 0.1248 -0.0947 -0.1556 39 GLU H N 417 C CA . GLU A 25 ? 0.4257 0.3045 0.2912 0.1262 -0.1052 -0.1443 39 GLU H CA 418 C C . GLU A 25 ? 0.3801 0.2499 0.2299 0.1284 -0.1042 -0.1051 39 GLU H C 419 O O . GLU A 25 ? 0.3789 0.2080 0.1889 0.1244 -0.1062 -0.0734 39 GLU H O 420 C CB . GLU A 25 ? 0.4633 0.3084 0.3503 0.1297 -0.1183 -0.1577 39 GLU H CB 421 C CG . GLU A 25 ? 0.4928 0.2963 0.3971 0.1437 -0.1390 -0.1535 39 GLU H CG 422 C CD . GLU A 25 ? 0.5401 0.3096 0.4598 0.1278 -0.1320 -0.1473 39 GLU H CD 423 O OE1 . GLU A 25 ? 0.5712 0.3712 0.4772 0.0879 -0.1193 -0.1549 39 GLU H OE1 424 O OE2 . GLU A 25 ? 0.5479 0.2756 0.4961 0.1609 -0.1339 -0.1124 39 GLU H OE2 431 N N . LEU A 26 ? 0.3312 0.2426 0.2322 0.1080 -0.1163 -0.1064 40 LEU H N 432 C CA . LEU A 26 ? 0.3022 0.2129 0.2173 0.0927 -0.1149 -0.0988 40 LEU H CA 433 C C . LEU A 26 ? 0.3028 0.1669 0.2241 0.0945 -0.1084 -0.0723 40 LEU H C 434 O O . LEU A 26 ? 0.3320 0.1745 0.3192 0.0908 -0.0925 -0.0771 40 LEU H O 435 C CB . LEU A 26 ? 0.3236 0.2352 0.2560 0.0848 -0.1103 -0.1212 40 LEU H CB 436 C CG . LEU A 26 ? 0.3312 0.2251 0.2704 0.0745 -0.0885 -0.1157 40 LEU H CG 437 C CD1 . LEU A 26 ? 0.3494 0.2116 0.2628 0.0699 -0.0813 -0.0583 40 LEU H CD1 438 C CD2 . LEU A 26 ? 0.3699 0.2553 0.2875 0.0791 -0.1041 -0.0886 40 LEU H CD2 450 N N . LEU A 27 ? 0.2686 0.1608 0.1742 0.0990 -0.0956 -0.0671 41 LEU H N 451 C CA . LEU A 27 ? 0.2971 0.1818 0.1928 0.1090 -0.0744 -0.0745 41 LEU H CA 452 C C . LEU A 27 ? 0.3011 0.1719 0.1869 0.1136 -0.0847 -0.0597 41 LEU H C 453 O O . LEU A 27 ? 0.3705 0.1798 0.2015 0.1234 -0.1010 -0.0468 41 LEU H O 454 C CB . LEU A 27 ? 0.3356 0.2112 0.2202 0.1030 -0.0540 -0.0963 41 LEU H CB 455 C CG . LEU A 27 ? 0.3489 0.2392 0.2426 0.1157 -0.0388 -0.0782 41 LEU H CG 456 C CD1 . LEU A 27 ? 0.3202 0.2481 0.2359 0.1060 -0.0226 -0.0498 41 LEU H CD1 457 C CD2 . LEU A 27 ? 0.3723 0.2643 0.2856 0.1513 -0.0192 -0.0811 41 LEU H CD2 469 N N . CYS A 28 ? 0.2325 0.1516 0.1627 0.0958 -0.0626 -0.0569 42 CYS H N 470 C CA . CYS A 28 ? 0.2132 0.1296 0.1376 0.0751 -0.0639 -0.0432 42 CYS H CA 471 C C . CYS A 28 ? 0.1920 0.1061 0.1198 0.0540 -0.0650 -0.0152 42 CYS H C 472 O O . CYS A 28 ? 0.1862 0.1205 0.1219 0.0625 -0.0580 -0.0220 42 CYS H O 473 C CB . CYS A 28 ? 0.2083 0.1573 0.1379 0.0936 -0.0766 -0.0490 42 CYS H CB 474 S SG . CYS A 28 ? 0.2065 0.1471 0.1715 0.0785 -0.0578 -0.0152 42 CYS H SG 479 N N . GLY A 29 ? 0.1933 0.0999 0.1073 0.0480 -0.0567 -0.0216 43 GLY H N 480 C CA . GLY A 29 ? 0.1700 0.0871 0.1088 0.0418 -0.0512 -0.0155 43 GLY H CA 481 C C . GLY A 29 ? 0.1540 0.0913 0.0982 0.0474 -0.0476 -0.0132 43 GLY H C 482 O O . GLY A 29 ? 0.1557 0.1083 0.1084 0.0450 -0.0484 -0.0084 43 GLY H O 486 N N . ALA A 30 ? 0.1543 0.0913 0.1067 0.0453 -0.0440 -0.0123 44 ALA H N 487 C CA . ALA A 30 ? 0.1472 0.0822 0.1003 0.0514 -0.0345 -0.0050 44 ALA H CA 488 C C . ALA A 30 ? 0.1301 0.1011 0.0873 0.0280 -0.0376 0.0018 44 ALA H C 489 O O . ALA A 30 ? 0.1463 0.0853 0.0914 0.0287 -0.0387 -0.0010 44 ALA H O 490 C CB . ALA A 30 ? 0.1668 0.0951 0.1210 0.0548 -0.0225 0.0031 44 ALA H CB 496 N N . SER A 31 ? 0.1255 0.0898 0.0968 0.0291 -0.0270 0.0050 45 SER H N 497 C CA . SER A 31 ? 0.1330 0.0847 0.1133 0.0410 -0.0106 0.0008 45 SER H CA 498 C C . SER A 31 ? 0.1183 0.0882 0.1185 0.0270 -0.0187 0.0027 45 SER H C 499 O O . SER A 31 ? 0.1373 0.0998 0.1484 0.0350 -0.0210 0.0373 45 SER H O 500 C CB . SER A 31 ? 0.1380 0.0992 0.1171 0.0456 -0.0214 0.0026 45 SER H CB 501 O OG . SER A 31 ? 0.1532 0.1116 0.1205 0.0395 -0.0221 0.0113 45 SER H OG 507 N N . LEU A 32 ? 0.1244 0.0892 0.1055 0.0387 -0.0236 0.0121 46 LEU H N 508 C CA . LEU A 32 ? 0.1228 0.0981 0.1127 0.0316 -0.0237 0.0201 46 LEU H CA 509 C C . LEU A 32 ? 0.1351 0.0793 0.1243 0.0280 -0.0222 0.0275 46 LEU H C 510 O O . LEU A 32 ? 0.1329 0.0875 0.1258 0.0289 -0.0170 0.0197 46 LEU H O 511 C CB . LEU A 32 ? 0.1473 0.1055 0.1105 0.0297 -0.0239 0.0239 46 LEU H CB 512 C CG . LEU A 32 ? 0.1778 0.1137 0.1224 0.0306 -0.0208 0.0342 46 LEU H CG 513 C CD1 . LEU A 32 ? 0.1990 0.1356 0.1286 0.0295 -0.0146 0.0378 46 LEU H CD1 514 C CD2 . LEU A 32 ? 0.1859 0.1248 0.1477 0.0415 -0.0412 0.0488 46 LEU H CD2 526 N N . ILE A 33 ? 0.1414 0.0910 0.1318 0.0278 -0.0174 0.0180 47 ILE H N 527 C CA . ILE A 33 ? 0.1497 0.0904 0.1493 0.0115 -0.0158 0.0196 47 ILE H CA 528 C C . ILE A 33 ? 0.1640 0.0963 0.1700 0.0132 -0.0126 0.0168 47 ILE H C 529 O O . ILE A 33 ? 0.1900 0.0990 0.1882 0.0022 -0.0058 0.0009 47 ILE H O 530 C CB . ILE A 33 ? 0.1528 0.1159 0.1535 0.0136 -0.0210 0.0229 47 ILE H CB 531 C CG1 . ILE A 33 ? 0.1643 0.1450 0.1723 0.0072 -0.0266 0.0347 47 ILE H CG1 532 C CG2 . ILE A 33 ? 0.1652 0.1173 0.1432 0.0192 -0.0300 0.0246 47 ILE H CG2 533 C CD1 . ILE A 33 ? 0.1611 0.1578 0.1899 0.0183 -0.0253 0.0212 47 ILE H CD1 545 N N . SER A 34 ? 0.1773 0.1067 0.1716 0.0062 -0.0176 0.0409 48 SER H N 546 C CA . SER A 34 ? 0.1934 0.1199 0.1979 0.0070 -0.0141 0.0417 48 SER H CA 547 C C . SER A 34 ? 0.2249 0.1373 0.1993 -0.0012 -0.0204 0.0658 48 SER H C 548 O O . SER A 34 ? 0.2822 0.1599 0.1885 -0.0313 -0.0269 0.0678 48 SER H O 549 C CB . SER A 34 ? 0.1968 0.1446 0.2141 -0.0020 -0.0218 0.0412 48 SER H CB 550 O OG . SER A 34 ? 0.1910 0.1533 0.2713 0.0004 -0.0148 0.0289 48 SER H OG 556 N N . ASP A 35 ? 0.2350 0.1587 0.2146 0.0165 -0.0082 0.0876 49 ASP H N 557 C CA . ASP A 35 ? 0.2377 0.1786 0.2229 0.0367 -0.0052 0.1051 49 ASP H CA 558 C C . ASP A 35 ? 0.2323 0.1965 0.2098 0.0292 -0.0055 0.1010 49 ASP H C 559 O O . ASP A 35 ? 0.2488 0.2340 0.2066 0.0512 -0.0024 0.0964 49 ASP H O 560 C CB . ASP A 35 ? 0.2879 0.1987 0.2702 0.0533 0.0240 0.1260 49 ASP H CB 561 C CG . ASP A 35 ? 0.3560 0.2042 0.3332 0.0331 0.0488 0.1367 49 ASP H CG 562 O OD1 . ASP A 35 ? 0.3392 0.2160 0.3706 -0.0135 0.0564 0.1011 49 ASP H OD1 563 O OD2 . ASP A 35 ? 0.4403 0.2213 0.3808 0.0344 0.0816 0.1441 49 ASP H OD2 568 N N . ARG A 36 ? 0.2246 0.1821 0.2069 0.0433 0.0024 0.0986 50 ARG H N 569 C CA . ARG A 36 ? 0.2337 0.1949 0.2199 0.0337 0.0171 0.1064 50 ARG H CA 570 C C . ARG A 36 ? 0.1950 0.1893 0.1765 0.0303 -0.0077 0.0852 50 ARG H C 571 O O . ARG A 36 ? 0.2038 0.2023 0.1786 0.0412 0.0056 0.0638 50 ARG H O 572 C CB . ARG A 36 ? 0.2779 0.2085 0.2895 0.0238 0.0453 0.1391 50 ARG H CB 575 N N . TRP A 37 ? 0.1801 0.1517 0.1728 0.0230 -0.0009 0.0713 51 TRP H N 576 C CA . TRP A 37 ? 0.1719 0.1345 0.1675 0.0183 -0.0094 0.0565 51 TRP H CA 577 C C . TRP A 37 ? 0.1534 0.1184 0.1493 0.0228 -0.0104 0.0463 51 TRP H C 578 O O . TRP A 37 ? 0.1499 0.1323 0.1505 0.0267 -0.0122 0.0348 51 TRP H O 579 C CB . TRP A 37 ? 0.1703 0.1312 0.1873 0.0127 -0.0067 0.0376 51 TRP H CB 580 C CG . TRP A 37 ? 0.1718 0.1602 0.2166 -0.0009 -0.0130 0.0633 51 TRP H CG 581 C CD1 . TRP A 37 ? 0.1799 0.1780 0.2733 0.0081 0.0038 0.0636 51 TRP H CD1 582 C CD2 . TRP A 37 ? 0.1724 0.1742 0.2125 0.0015 0.0023 0.0689 51 TRP H CD2 583 N NE1 . TRP A 37 ? 0.2005 0.1823 0.3027 -0.0096 0.0068 0.0675 51 TRP H NE1 584 C CE2 . TRP A 37 ? 0.1808 0.1768 0.2615 -0.0047 -0.0126 0.0697 51 TRP H CE2 585 C CE3 . TRP A 37 ? 0.1756 0.1845 0.2133 0.0093 0.0087 0.0789 51 TRP H CE3 586 C CZ2 . TRP A 37 ? 0.1731 0.1968 0.2724 -0.0199 -0.0018 0.0674 51 TRP H CZ2 587 C CZ3 . TRP A 37 ? 0.1783 0.1922 0.2325 0.0095 0.0045 0.0766 51 TRP H CZ3 588 C CH2 . TRP A 37 ? 0.1810 0.2142 0.2581 -0.0089 0.0042 0.0801 51 TRP H CH2 599 N N . VAL A 38 ? 0.1500 0.1193 0.1570 0.0375 -0.0083 0.0536 52 VAL H N 600 C CA . VAL A 38 ? 0.1514 0.1207 0.1442 0.0377 -0.0069 0.0384 52 VAL H CA 601 C C . VAL A 38 ? 0.1511 0.1137 0.1403 0.0456 -0.0192 0.0317 52 VAL H C 602 O O . VAL A 38 ? 0.1492 0.1466 0.1537 0.0530 -0.0123 0.0459 52 VAL H O 603 C CB . VAL A 38 ? 0.1657 0.1442 0.1275 0.0454 -0.0059 0.0339 52 VAL H CB 604 C CG1 . VAL A 38 ? 0.1816 0.1307 0.1370 0.0377 -0.0196 0.0410 52 VAL H CG1 605 C CG2 . VAL A 38 ? 0.1821 0.1615 0.1350 0.0445 -0.0107 0.0573 52 VAL H CG2 615 N N . LEU A 39 ? 0.1303 0.1028 0.1208 0.0364 -0.0143 0.0292 53 LEU H N 616 C CA . LEU A 39 ? 0.1256 0.1041 0.1252 0.0315 -0.0207 0.0197 53 LEU H CA 617 C C . LEU A 39 ? 0.1258 0.0922 0.1112 0.0240 -0.0309 0.0124 53 LEU H C 618 O O . LEU A 39 ? 0.1385 0.0845 0.1276 0.0307 -0.0376 0.0117 53 LEU H O 619 C CB . LEU A 39 ? 0.1305 0.1026 0.1359 0.0289 -0.0217 0.0084 53 LEU H CB 620 C CG . LEU A 39 ? 0.1603 0.1031 0.1357 0.0344 -0.0170 0.0128 53 LEU H CG 621 C CD1 . LEU A 39 ? 0.1675 0.1379 0.1335 0.0577 -0.0349 0.0001 53 LEU H CD1 622 C CD2 . LEU A 39 ? 0.1763 0.1189 0.1308 0.0292 -0.0033 0.0064 53 LEU H CD2 634 N N . THR A 40 ? 0.1297 0.0941 0.1071 0.0349 -0.0351 0.0156 54 THR H N 635 C CA . THR A 40 ? 0.1296 0.0993 0.1126 0.0373 -0.0305 0.0091 54 THR H CA 636 C C . THR A 40 ? 0.1340 0.0994 0.1122 0.0311 -0.0301 0.0002 54 THR H C 637 O O . THR A 40 ? 0.1311 0.0951 0.1227 0.0323 -0.0246 0.0105 54 THR H O 638 C CB . THR A 40 ? 0.1389 0.1093 0.1179 0.0452 -0.0311 0.0037 54 THR H CB 639 O OG1 . THR A 40 ? 0.1557 0.1030 0.1294 0.0477 -0.0313 -0.0047 54 THR H OG1 640 C CG2 . THR A 40 ? 0.1572 0.1297 0.1208 0.0612 -0.0224 -0.0017 54 THR H CG2 648 N N . ALA A 41 ? 0.1349 0.0881 0.1191 0.0423 -0.0373 0.0074 55 ALA H N 649 C CA . ALA A 41 ? 0.1412 0.0863 0.1181 0.0542 -0.0361 0.0008 55 ALA H CA 650 C C . ALA A 41 ? 0.1557 0.0960 0.1238 0.0585 -0.0238 -0.0047 55 ALA H C 651 O O . ALA A 41 ? 0.1597 0.1294 0.1168 0.0669 -0.0301 -0.0064 55 ALA H O 652 C CB . ALA A 41 ? 0.1545 0.0834 0.1270 0.0530 -0.0388 0.0011 55 ALA H CB 658 N N . ALA A 42 ? 0.1349 0.0969 0.1289 0.0555 -0.0292 -0.0057 56 ALA H N 659 C CA . ALA A 42 ? 0.1468 0.1100 0.1349 0.0561 -0.0239 0.0074 56 ALA H CA 660 C C . ALA A 42 ? 0.1425 0.1075 0.1334 0.0643 -0.0320 0.0028 56 ALA H C 661 O O . ALA A 42 ? 0.1452 0.1219 0.1384 0.0665 -0.0215 -0.0080 56 ALA H O 662 C CB . ALA A 42 ? 0.1274 0.1339 0.1397 0.0491 -0.0254 0.0078 56 ALA H CB 668 N N . HIS A 43 ? 0.1472 0.0955 0.1196 0.0602 -0.0345 0.0017 57 HIS H N 669 C CA . HIS A 43 ? 0.1556 0.1104 0.1298 0.0623 -0.0360 -0.0071 57 HIS H CA 670 C C . HIS A 43 ? 0.1702 0.1150 0.1312 0.0617 -0.0487 -0.0210 57 HIS H C 671 O O . HIS A 43 ? 0.2008 0.1157 0.1429 0.0725 -0.0435 -0.0245 57 HIS H O 672 C CB . HIS A 43 ? 0.1796 0.1116 0.1365 0.0600 -0.0458 -0.0043 57 HIS H CB 673 C CG . HIS A 43 ? 0.1728 0.1021 0.1291 0.0566 -0.0562 -0.0038 57 HIS H CG 674 N ND1 . HIS A 43 ? 0.1666 0.1126 0.1190 0.0348 -0.0483 -0.0002 57 HIS H ND1 675 C CD2 . HIS A 43 ? 0.1891 0.1217 0.1429 0.0499 -0.0531 -0.0079 57 HIS H CD2 676 C CE1 . HIS A 43 ? 0.1633 0.1288 0.1282 0.0277 -0.0468 -0.0056 57 HIS H CE1 677 N NE2 . HIS A 43 ? 0.1921 0.1181 0.1441 0.0335 -0.0593 0.0041 57 HIS H NE2 685 N N . CYS A 44 ? 0.1542 0.1271 0.1303 0.0685 -0.0520 -0.0179 58 CYS H N 686 C CA . CYS A 44 ? 0.1593 0.1516 0.1258 0.0693 -0.0512 -0.0106 58 CYS H CA 687 C C . CYS A 44 ? 0.1671 0.1751 0.1348 0.0813 -0.0352 -0.0203 58 CYS H C 688 O O . CYS A 44 ? 0.1897 0.2086 0.1348 0.0825 -0.0366 -0.0283 58 CYS H O 689 C CB . CYS A 44 ? 0.1518 0.1603 0.1386 0.0687 -0.0432 0.0041 58 CYS H CB 690 S SG . CYS A 44 ? 0.1765 0.1634 0.1539 0.0699 -0.0400 -0.0101 58 CYS H SG 695 N N . LEU A 45 ? 0.1762 0.1741 0.1318 0.0863 -0.0327 -0.0122 59 LEU H N 696 C CA . LEU A 45 ? 0.1890 0.1783 0.1450 0.0851 -0.0173 -0.0068 59 LEU H CA 697 C C . LEU A 45 ? 0.1841 0.1940 0.1529 0.1039 -0.0142 -0.0073 59 LEU H C 698 O O . LEU A 45 ? 0.2282 0.2496 0.1501 0.1421 0.0061 0.0029 59 LEU H O 699 C CB . LEU A 45 ? 0.2076 0.1831 0.1502 0.0760 -0.0170 0.0103 59 LEU H CB 700 C CG . LEU A 45 ? 0.2276 0.1761 0.1795 0.0760 -0.0126 0.0185 59 LEU H CG 701 C CD1 . LEU A 45 ? 0.2472 0.1711 0.2072 0.0549 -0.0055 0.0146 59 LEU H CD1 702 C CD2 . LEU A 45 ? 0.2646 0.2051 0.2174 0.0986 -0.0283 0.0308 59 LEU H CD2 714 N N . LEU A 46 ? 0.1761 0.1791 0.1436 0.0944 -0.0238 -0.0175 60 LEU H N 715 C CA . LEU A 46 ? 0.1757 0.1600 0.1543 0.0780 -0.0203 -0.0222 60 LEU H CA 716 C C . LEU A 46 ? 0.1749 0.1450 0.1451 0.0806 -0.0511 -0.0212 60 LEU H C 717 O O . LEU A 46 ? 0.1815 0.1558 0.1483 0.0760 -0.0405 -0.0342 60 LEU H O 718 C CB . LEU A 46 ? 0.1820 0.1683 0.1786 0.0674 -0.0102 -0.0176 60 LEU H CB 719 C CG . LEU A 46 ? 0.1698 0.1831 0.1976 0.0599 -0.0216 -0.0266 60 LEU H CG 720 C CD1 . LEU A 46 ? 0.1761 0.2263 0.2194 0.0714 -0.0147 -0.0360 60 LEU H CD1 721 C CD2 . LEU A 46 ? 0.1762 0.1924 0.2317 0.0469 -0.0269 -0.0238 60 LEU H CD2 733 N N . TYR A 47 A 0.1819 0.1475 0.1342 0.0824 -0.0553 -0.0227 60 TYR H N 734 C CA . TYR A 47 A 0.1807 0.1474 0.1398 0.0822 -0.0621 -0.0351 60 TYR H CA 735 C C . TYR A 47 A 0.1821 0.1523 0.1346 0.0844 -0.0705 -0.0402 60 TYR H C 736 O O . TYR A 47 A 0.1870 0.1523 0.1354 0.0848 -0.0691 -0.0330 60 TYR H O 737 C CB . TYR A 47 A 0.1668 0.1362 0.1614 0.0781 -0.0639 -0.0363 60 TYR H CB 738 C CG . TYR A 47 A 0.1690 0.1344 0.1612 0.0756 -0.0657 -0.0330 60 TYR H CG 739 C CD1 . TYR A 47 A 0.1804 0.1438 0.1608 0.0696 -0.0515 -0.0212 60 TYR H CD1 740 C CD2 . TYR A 47 A 0.1931 0.1431 0.1851 0.0728 -0.0734 -0.0402 60 TYR H CD2 741 C CE1 . TYR A 47 A 0.1871 0.1541 0.1637 0.0621 -0.0539 -0.0216 60 TYR H CE1 742 C CE2 . TYR A 47 A 0.1947 0.1549 0.2062 0.0638 -0.0780 -0.0308 60 TYR H CE2 743 C CZ . TYR A 47 A 0.2084 0.1486 0.1950 0.0480 -0.0474 -0.0163 60 TYR H CZ 744 O OH . TYR A 47 A 0.2434 0.1655 0.2209 0.0401 -0.0536 -0.0051 60 TYR H OH 754 N N . PRO A 48 B 0.1797 0.1790 0.1403 0.0956 -0.0647 -0.0443 60 PRO H N 755 C CA . PRO A 48 B 0.2027 0.2015 0.1419 0.1120 -0.0655 -0.0554 60 PRO H CA 756 C C . PRO A 48 B 0.2206 0.1831 0.1462 0.1080 -0.0689 -0.0382 60 PRO H C 757 O O . PRO A 48 B 0.2471 0.1849 0.1457 0.1198 -0.0625 -0.0415 60 PRO H O 758 C CB . PRO A 48 B 0.1978 0.2266 0.1751 0.1173 -0.0647 -0.0643 60 PRO H CB 759 C CG . PRO A 48 B 0.1858 0.2333 0.1849 0.1056 -0.0629 -0.0600 60 PRO H CG 760 C CD . PRO A 48 B 0.1752 0.1989 0.1711 0.0968 -0.0666 -0.0527 60 PRO H CD 768 N N . PRO A 49 C 0.2242 0.1824 0.1410 0.1099 -0.0694 -0.0432 60 PRO H N 769 C CA . PRO A 49 C 0.2828 0.1909 0.1758 0.1243 -0.0728 -0.0369 60 PRO H CA 770 C C . PRO A 49 C 0.3114 0.1810 0.2004 0.1214 -0.0881 -0.0393 60 PRO H C 771 O O . PRO A 49 C 0.3806 0.1920 0.2212 0.1308 -0.0970 -0.0348 60 PRO H O 772 C CB . PRO A 49 C 0.2742 0.1933 0.1811 0.1242 -0.0685 -0.0270 60 PRO H CB 773 C CG . PRO A 49 C 0.2444 0.2171 0.1588 0.1192 -0.0733 -0.0293 60 PRO H CG 774 C CD . PRO A 49 C 0.2209 0.2067 0.1412 0.1146 -0.0665 -0.0389 60 PRO H CD 782 N N . TRP A 50 D 0.2660 0.1793 0.1987 0.0985 -0.1148 -0.0504 60 TRP H N 783 C CA . TRP A 50 D 0.2860 0.1780 0.2297 0.0792 -0.1281 -0.0597 60 TRP H CA 784 C C . TRP A 50 D 0.3072 0.1882 0.2036 0.1030 -0.1221 -0.0467 60 TRP H C 785 O O . TRP A 50 D 0.3201 0.2244 0.2064 0.0934 -0.1339 -0.0389 60 TRP H O 786 C CB . TRP A 50 D 0.2797 0.2277 0.2666 0.0404 -0.1418 -0.0817 60 TRP H CB 787 C CG . TRP A 50 D 0.3250 0.2895 0.3171 0.0069 -0.0968 -0.1106 60 TRP H CG 788 C CD1 . TRP A 50 D 0.3526 0.3005 0.3610 -0.0235 -0.0491 -0.1240 60 TRP H CD1 789 C CD2 . TRP A 50 D 0.3486 0.3310 0.3499 -0.0134 -0.0698 -0.1277 60 TRP H CD2 790 N NE1 . TRP A 50 D 0.3660 0.3096 0.3715 -0.0378 -0.0315 -0.1479 60 TRP H NE1 791 C CE2 . TRP A 50 D 0.3564 0.3380 0.3754 -0.0387 -0.0482 -0.1487 60 TRP H CE2 792 C CE3 . TRP A 50 D 0.3512 0.3700 0.3767 -0.0079 -0.0536 -0.1208 60 TRP H CE3 793 C CZ2 . TRP A 50 D 0.3646 0.3698 0.4023 -0.0171 -0.0322 -0.1224 60 TRP H CZ2 794 C CZ3 . TRP A 50 D 0.3631 0.3869 0.3975 -0.0045 -0.0456 -0.0976 60 TRP H CZ3 795 C CH2 . TRP A 50 D 0.3714 0.3883 0.4053 -0.0140 -0.0352 -0.0974 60 TRP H CH2 806 N N . ASP A 51 E 0.2861 0.1925 0.1717 0.1197 -0.1003 -0.0569 60 ASP H N 807 C CA . ASP A 51 E 0.3065 0.2193 0.1611 0.1435 -0.0840 -0.0585 60 ASP H CA 808 C C . ASP A 51 E 0.3030 0.2135 0.1511 0.1380 -0.0815 -0.0508 60 ASP H C 809 O O . ASP A 51 E 0.3702 0.2457 0.1546 0.1687 -0.0715 -0.0491 60 ASP H O 810 C CB . ASP A 51 E 0.3601 0.2487 0.2045 0.1626 -0.0838 -0.0736 60 ASP H CB 811 C CG . ASP A 51 E 0.4272 0.2890 0.2791 0.1581 -0.0952 -0.1161 60 ASP H CG 812 O OD1 . ASP A 51 E 0.4488 0.3183 0.2959 0.1998 -0.1007 -0.1090 60 ASP H OD1 813 O OD2 . ASP A 51 E 0.4940 0.3150 0.3884 0.1375 -0.0918 -0.0678 60 ASP H OD2 818 N N . LYS A 52 F 0.2608 0.1969 0.1455 0.1222 -0.0688 -0.0344 60 LYS H N 819 C CA . LYS A 52 F 0.2448 0.1922 0.1478 0.1173 -0.0634 -0.0275 60 LYS H CA 820 C C . LYS A 52 F 0.2328 0.1890 0.1536 0.1206 -0.0429 -0.0212 60 LYS H C 821 O O . LYS A 52 F 0.2212 0.1966 0.1606 0.1138 -0.0453 -0.0291 60 LYS H O 822 C CB . LYS A 52 F 0.2286 0.1948 0.1671 0.1117 -0.0668 -0.0221 60 LYS H CB 823 C CG . LYS A 52 F 0.2450 0.2112 0.2041 0.1255 -0.0704 -0.0344 60 LYS H CG 824 C CD . LYS A 52 F 0.2605 0.2326 0.2738 0.1306 -0.0782 -0.0496 60 LYS H CD 825 C CE . LYS A 52 F 0.2907 0.2767 0.3809 0.1215 -0.0380 -0.0127 60 LYS H CE 826 N NZ . LYS A 52 F 0.2943 0.3145 0.4362 0.1105 -0.0300 0.0271 60 LYS H NZ 840 N N . ASN A 53 G 0.2595 0.2086 0.1837 0.1337 -0.0205 -0.0285 60 ASN H N 841 C CA . ASN A 53 G 0.2722 0.2341 0.1874 0.1473 0.0084 -0.0104 60 ASN H CA 842 C C . ASN A 53 G 0.3154 0.2540 0.1813 0.1523 0.0315 -0.0030 60 ASN H C 843 O O . ASN A 53 G 0.3511 0.2943 0.2125 0.1592 0.0579 0.0083 60 ASN H O 844 C CB . ASN A 53 G 0.2732 0.2926 0.2570 0.1564 0.0322 -0.0010 60 ASN H CB 845 C CG . ASN A 53 G 0.2816 0.3632 0.3312 0.1486 0.0404 0.0365 60 ASN H CG 846 O OD1 . ASN A 53 G 0.2895 0.3482 0.3254 0.1156 0.0561 0.0461 60 ASN H OD1 847 N ND2 . ASN A 53 G 0.3125 0.4489 0.4233 0.1360 0.0211 0.0478 60 ASN H ND2 848 N N . PHE A 54 H 0.3244 0.2512 0.1663 0.1637 0.0064 0.0110 60 PHE H N 849 C CA . PHE A 54 H 0.3528 0.2748 0.1680 0.1522 -0.0026 0.0098 60 PHE H CA 850 C C . PHE A 54 H 0.3764 0.3064 0.1920 0.1307 -0.0099 0.0333 60 PHE H C 851 O O . PHE A 54 H 0.4148 0.3127 0.2207 0.1067 -0.0213 0.0246 60 PHE H O 852 C CB . PHE A 54 H 0.3400 0.2641 0.1643 0.1675 -0.0244 -0.0005 60 PHE H CB 853 C CG . PHE A 54 H 0.3266 0.2780 0.1626 0.1554 -0.0402 -0.0018 60 PHE H CG 854 C CD1 . PHE A 54 H 0.3392 0.3036 0.1904 0.1340 -0.0215 -0.0301 60 PHE H CD1 855 C CD2 . PHE A 54 H 0.3072 0.2906 0.1682 0.1537 -0.0509 0.0056 60 PHE H CD2 856 C CE1 . PHE A 54 H 0.3316 0.3138 0.2024 0.1331 -0.0344 -0.0346 60 PHE H CE1 857 C CE2 . PHE A 54 H 0.2926 0.3031 0.2034 0.1566 -0.0514 0.0124 60 PHE H CE2 858 C CZ . PHE A 54 H 0.3056 0.3154 0.2369 0.1442 -0.0397 -0.0071 60 PHE H CZ 868 N N . THR A 55 I 0.3680 0.3337 0.2152 0.1242 0.0102 0.0617 60 THR H N 869 C CA . THR A 55 I 0.3544 0.3493 0.2677 0.1315 0.0440 0.0812 60 THR H CA 870 C C . THR A 55 I 0.3269 0.3468 0.2363 0.1418 0.0501 0.0935 60 THR H C 871 O O . THR A 55 I 0.3477 0.3553 0.2116 0.1347 0.0610 0.0852 60 THR H O 872 C CB . THR A 55 I 0.3668 0.3803 0.3242 0.1199 0.0565 0.0787 60 THR H CB 873 O OG1 . THR A 55 I 0.3777 0.4037 0.3624 0.1222 0.0584 0.0775 60 THR H OG1 874 C CG2 . THR A 55 I 0.3873 0.4051 0.3456 0.0968 0.0610 0.0620 60 THR H CG2 882 N N . GLU A 56 ? 0.3106 0.3226 0.2218 0.1565 0.0568 0.0948 61 GLU H N 883 C CA . GLU A 56 ? 0.3182 0.3229 0.1958 0.1636 0.0630 0.0873 61 GLU H CA 884 C C . GLU A 56 ? 0.3365 0.3411 0.2008 0.1895 0.0511 0.0752 61 GLU H C 885 O O . GLU A 56 ? 0.3498 0.3848 0.1980 0.2066 0.0459 0.0637 61 GLU H O 886 C CB . GLU A 56 ? 0.3294 0.3319 0.2078 0.1608 0.0673 0.1033 61 GLU H CB 887 C CG . GLU A 56 ? 0.3234 0.3421 0.2246 0.1590 0.0723 0.0937 61 GLU H CG 888 C CD . GLU A 56 ? 0.3021 0.3641 0.2389 0.1529 0.0861 0.0864 61 GLU H CD 889 O OE1 . GLU A 56 ? 0.3129 0.3656 0.2818 0.1499 0.0589 0.0565 61 GLU H OE1 890 O OE2 . GLU A 56 ? 0.2927 0.3789 0.2451 0.1449 0.0701 0.0806 61 GLU H OE2 897 N N . ASN A 57 ? 0.3556 0.3580 0.2076 0.1830 0.0713 0.0547 62 ASN H N 898 C CA . ASN A 57 ? 0.3922 0.3807 0.2114 0.1775 0.0783 0.0533 62 ASN H CA 899 C C . ASN A 57 ? 0.4156 0.3899 0.1860 0.1847 0.0439 0.0264 62 ASN H C 900 O O . ASN A 57 ? 0.4441 0.4122 0.1811 0.1780 0.0227 0.0304 62 ASN H O 901 C CB . ASN A 57 ? 0.4218 0.4127 0.2547 0.1417 0.0879 0.0549 62 ASN H CB 902 C CG . ASN A 57 ? 0.4411 0.4319 0.3007 0.1084 0.0789 0.0715 62 ASN H CG 907 N N . ASP A 58 ? 0.4099 0.3679 0.1919 0.2182 0.0225 0.0202 63 ASP H N 908 C CA . ASP A 58 ? 0.4172 0.3783 0.1844 0.2243 0.0180 0.0028 63 ASP H CA 909 C C . ASP A 58 ? 0.4142 0.3627 0.1737 0.2205 0.0065 -0.0160 63 ASP H C 910 O O . ASP A 58 ? 0.4286 0.3620 0.1952 0.2092 -0.0021 -0.0482 63 ASP H O 911 C CB . ASP A 58 ? 0.4271 0.3832 0.1862 0.2352 0.0149 -0.0052 63 ASP H CB 912 C CG . ASP A 58 ? 0.4398 0.3926 0.1926 0.2401 0.0041 -0.0141 63 ASP H CG 913 O OD1 . ASP A 58 ? 0.4487 0.4218 0.2065 0.2358 0.0125 -0.0315 63 ASP H OD1 914 O OD2 . ASP A 58 ? 0.4477 0.3878 0.2008 0.2354 0.0160 0.0056 63 ASP H OD2 919 N N . LEU A 59 ? 0.4193 0.3467 0.1587 0.2252 0.0184 0.0149 64 LEU H N 920 C CA . LEU A 59 ? 0.4134 0.3375 0.1715 0.2102 0.0421 0.0496 64 LEU H CA 921 C C . LEU A 59 ? 0.3689 0.3032 0.1422 0.1873 0.0286 0.0290 64 LEU H C 922 O O . LEU A 59 ? 0.3556 0.3351 0.1982 0.1824 0.0208 0.0292 64 LEU H O 923 C CB . LEU A 59 ? 0.4426 0.3702 0.2214 0.2256 0.0213 0.0587 64 LEU H CB 924 C CG . LEU A 59 ? 0.4543 0.3808 0.2290 0.2307 0.0303 0.0660 64 LEU H CG 925 C CD1 . LEU A 59 ? 0.4564 0.3972 0.2676 0.2379 0.0329 0.0549 64 LEU H CD1 926 C CD2 . LEU A 59 ? 0.4804 0.3932 0.2313 0.2278 0.0363 0.0737 64 LEU H CD2 938 N N . LEU A 60 ? 0.3536 0.2800 0.1371 0.1662 0.0310 0.0135 65 LEU H N 939 C CA . LEU A 60 ? 0.3394 0.2347 0.1397 0.1367 0.0334 0.0239 65 LEU H CA 940 C C . LEU A 60 ? 0.2957 0.2161 0.1400 0.0965 0.0344 0.0076 65 LEU H C 941 O O . LEU A 60 ? 0.3407 0.2144 0.1401 0.0737 0.0225 0.0060 65 LEU H O 942 C CB . LEU A 60 ? 0.3738 0.2531 0.1563 0.1297 0.0242 0.0117 65 LEU H CB 943 C CG . LEU A 60 ? 0.3866 0.2786 0.1762 0.1312 0.0282 0.0143 65 LEU H CG 944 C CD1 . LEU A 60 ? 0.3788 0.2896 0.1796 0.1314 0.0084 -0.0137 65 LEU H CD1 945 C CD2 . LEU A 60 ? 0.3887 0.2934 0.1835 0.1280 0.0550 0.0503 65 LEU H CD2 957 N N . VAL A 61 ? 0.2331 0.2251 0.1346 0.1015 0.0005 -0.0017 66 VAL H N 958 C CA . VAL A 61 ? 0.2184 0.2769 0.1311 0.1002 -0.0199 -0.0109 66 VAL H CA 959 C C . VAL A 61 ? 0.2065 0.2405 0.1189 0.0943 -0.0310 0.0230 66 VAL H C 960 O O . VAL A 61 ? 0.2187 0.2933 0.1436 0.0803 -0.0152 0.0525 66 VAL H O 961 C CB . VAL A 61 ? 0.2274 0.3552 0.2076 0.1293 -0.0390 -0.0277 66 VAL H CB 962 C CG1 . VAL A 61 ? 0.2139 0.4214 0.2058 0.1013 -0.0499 -0.0529 66 VAL H CG1 963 C CG2 . VAL A 61 ? 0.2510 0.3617 0.2350 0.1065 -0.0502 -0.0013 66 VAL H CG2 973 N N . ARG A 62 ? 0.1921 0.1860 0.1129 0.0697 -0.0259 0.0001 67 ARG H N 974 C CA . ARG A 62 ? 0.1879 0.1676 0.1038 0.0749 -0.0379 -0.0024 67 ARG H CA 975 C C . ARG A 62 ? 0.1922 0.1568 0.0993 0.0701 -0.0454 -0.0042 67 ARG H C 976 O O . ARG A 62 ? 0.2035 0.1461 0.0973 0.0765 -0.0375 0.0008 67 ARG H O 977 C CB . ARG A 62 ? 0.2001 0.1705 0.1144 0.0741 -0.0386 -0.0221 67 ARG H CB 978 C CG . ARG A 62 ? 0.2157 0.1784 0.1289 0.0863 -0.0494 -0.0282 67 ARG H CG 979 C CD . ARG A 62 ? 0.2264 0.1828 0.1294 0.0901 -0.0516 -0.0501 67 ARG H CD 980 N NE . ARG A 62 ? 0.2373 0.1805 0.1329 0.0887 -0.0566 -0.0390 67 ARG H NE 981 C CZ . ARG A 62 ? 0.2535 0.1815 0.1413 0.0881 -0.0614 -0.0421 67 ARG H CZ 982 N NH1 . ARG A 62 ? 0.2595 0.1834 0.1875 0.0968 -0.0641 -0.0510 67 ARG H NH1 983 N NH2 . ARG A 62 ? 0.2529 0.1870 0.1433 0.0906 -0.0644 -0.0383 67 ARG H NH2 997 N N . ILE A 63 ? 0.2052 0.1387 0.1012 0.0615 -0.0265 0.0099 68 ILE H N 998 C CA . ILE A 63 ? 0.2000 0.1297 0.1023 0.0588 -0.0423 0.0173 68 ILE H CA 999 C C . ILE A 63 ? 0.1988 0.1346 0.0934 0.0670 -0.0402 0.0086 68 ILE H C 1000 O O . ILE A 63 ? 0.2044 0.1646 0.0962 0.0760 -0.0389 0.0107 68 ILE H O 1001 C CB . ILE A 63 ? 0.2092 0.1359 0.1391 0.0570 -0.0584 0.0140 68 ILE H CB 1002 C CG1 . ILE A 63 ? 0.2051 0.1602 0.1717 0.0224 -0.0271 0.0238 68 ILE H CG1 1003 C CG2 . ILE A 63 ? 0.2130 0.1282 0.2007 0.0613 -0.0748 -0.0244 68 ILE H CG2 1004 C CD1 . ILE A 63 ? 0.2226 0.1948 0.2362 0.0475 -0.0227 0.0223 68 ILE H CD1 1016 N N . GLY A 64 ? 0.2012 0.1284 0.0997 0.0657 -0.0392 0.0131 69 GLY H N 1017 C CA . GLY A 64 ? 0.2001 0.1331 0.0984 0.0737 -0.0365 0.0072 69 GLY H CA 1018 C C . GLY A 64 ? 0.1863 0.1514 0.0992 0.0679 -0.0515 -0.0117 69 GLY H C 1019 O O . GLY A 64 ? 0.1955 0.1529 0.1191 0.0722 -0.0589 -0.0064 69 GLY H O 1023 N N . LYS A 65 ? 0.1877 0.1397 0.1050 0.0699 -0.0519 -0.0055 70 LYS H N 1024 C CA . LYS A 65 ? 0.1976 0.1451 0.0951 0.0611 -0.0594 -0.0149 70 LYS H CA 1025 C C . LYS A 65 ? 0.1974 0.1326 0.1020 0.0590 -0.0649 -0.0132 70 LYS H C 1026 O O . LYS A 65 ? 0.2219 0.1428 0.0933 0.0495 -0.0624 -0.0209 70 LYS H O 1027 C CB . LYS A 65 ? 0.1967 0.1481 0.1116 0.0613 -0.0574 -0.0193 70 LYS H CB 1028 C CG . LYS A 65 ? 0.2057 0.1516 0.1192 0.0709 -0.0471 -0.0098 70 LYS H CG 1029 C CD . LYS A 65 ? 0.2135 0.1512 0.1300 0.0734 -0.0540 -0.0159 70 LYS H CD 1030 C CE . LYS A 65 ? 0.2201 0.1625 0.1308 0.0806 -0.0678 -0.0254 70 LYS H CE 1031 N NZ . LYS A 65 ? 0.2333 0.1676 0.1269 0.0857 -0.0716 -0.0349 70 LYS H NZ 1045 N N . HIS A 66 ? 0.1991 0.1478 0.0993 0.0530 -0.0664 -0.0158 71 HIS H N 1046 C CA . HIS A 66 ? 0.1917 0.1486 0.1044 0.0508 -0.0676 -0.0205 71 HIS H CA 1047 C C . HIS A 66 ? 0.1924 0.1476 0.1257 0.0442 -0.0846 -0.0292 71 HIS H C 1048 O O . HIS A 66 ? 0.2176 0.1433 0.1305 0.0474 -0.0887 -0.0135 71 HIS H O 1049 C CB . HIS A 66 ? 0.1963 0.1435 0.1155 0.0496 -0.0673 -0.0212 71 HIS H CB 1050 C CG . HIS A 66 ? 0.1924 0.1439 0.1280 0.0404 -0.0774 -0.0241 71 HIS H CG 1051 N ND1 . HIS A 66 ? 0.2001 0.1329 0.1417 0.0327 -0.0616 -0.0206 71 HIS H ND1 1052 C CD2 . HIS A 66 ? 0.1997 0.1632 0.1633 0.0300 -0.0842 -0.0340 71 HIS H CD2 1053 C CE1 . HIS A 66 ? 0.2000 0.1556 0.1728 0.0141 -0.0586 -0.0281 71 HIS H CE1 1054 N NE2 . HIS A 66 ? 0.2035 0.1710 0.1768 0.0194 -0.0704 -0.0241 71 HIS H NE2 1061 N N . SER A 67 ? 0.2064 0.1627 0.1264 0.0481 -0.0842 -0.0391 72 SER H N 1062 C CA . SER A 67 ? 0.2219 0.1845 0.1325 0.0435 -0.0846 -0.0504 72 SER H CA 1063 C C . SER A 67 ? 0.2294 0.1824 0.1571 0.0626 -0.0734 -0.0453 72 SER H C 1064 O O . SER A 67 ? 0.2352 0.1896 0.1998 0.0652 -0.0590 -0.0619 72 SER H O 1065 C CB . SER A 67 ? 0.2556 0.1999 0.1493 0.0221 -0.0843 -0.0668 72 SER H CB 1066 O OG . SER A 67 ? 0.2971 0.2249 0.1685 0.0195 -0.0869 -0.0698 72 SER H OG 1072 N N . ARG A 68 ? 0.2389 0.1711 0.1582 0.0695 -0.0868 -0.0531 73 ARG H N 1073 C CA . ARG A 68 ? 0.2510 0.1888 0.1718 0.0550 -0.0985 -0.0692 73 ARG H CA 1074 C C . ARG A 68 ? 0.2424 0.2095 0.1664 0.0652 -0.0933 -0.0787 73 ARG H C 1075 O O . ARG A 68 ? 0.2433 0.2448 0.1770 0.0471 -0.0719 -0.1049 73 ARG H O 1076 C CB . ARG A 68 ? 0.2613 0.1788 0.1939 0.0620 -0.1087 -0.0684 73 ARG H CB 1077 C CG . ARG A 68 ? 0.2805 0.1831 0.1885 0.0664 -0.1113 -0.0737 73 ARG H CG 1078 C CD . ARG A 68 ? 0.2899 0.1745 0.2259 0.0510 -0.1199 -0.0752 73 ARG H CD 1079 N NE . ARG A 68 ? 0.2981 0.1620 0.2573 0.0503 -0.1182 -0.0742 73 ARG H NE 1080 C CZ . ARG A 68 ? 0.3148 0.2027 0.2850 0.0376 -0.1401 -0.0871 73 ARG H CZ 1081 N NH1 . ARG A 68 ? 0.3344 0.2440 0.2971 0.0100 -0.1317 -0.0851 73 ARG H NH1 1082 N NH2 . ARG A 68 ? 0.3345 0.2048 0.3081 0.0524 -0.1263 -0.1146 73 ARG H NH2 1096 N N . THR A 69 ? 0.2466 0.2162 0.1725 0.0645 -0.0969 -0.0811 74 THR H N 1097 C CA . THR A 69 ? 0.2719 0.2312 0.1858 0.0581 -0.1034 -0.0869 74 THR H CA 1098 C C . THR A 69 ? 0.2707 0.2722 0.1767 0.0448 -0.0906 -0.0919 74 THR H C 1099 O O . THR A 69 ? 0.2788 0.3261 0.1737 0.0233 -0.0631 -0.1129 74 THR H O 1100 C CB . THR A 69 ? 0.3134 0.2234 0.2146 0.0867 -0.1290 -0.0804 74 THR H CB 1101 O OG1 . THR A 69 ? 0.3198 0.2183 0.2296 0.0605 -0.1437 -0.0744 74 THR H OG1 1102 C CG2 . THR A 69 ? 0.3493 0.2321 0.2268 0.1219 -0.1300 -0.0650 74 THR H CG2 1110 N N A ARG A 70 ? 0.2753 0.2753 0.1689 0.0397 -0.0941 -0.0829 75 ARG H N 1111 N N B ARG A 70 ? 0.2909 0.2550 0.1665 0.0393 -0.0983 -0.0737 75 ARG H N 1112 C CA A ARG A 70 ? 0.2813 0.2755 0.1632 0.0614 -0.1023 -0.0565 75 ARG H CA 1113 C CA B ARG A 70 ? 0.3068 0.2172 0.1619 0.0597 -0.0990 -0.0281 75 ARG H CA 1114 C C A ARG A 70 ? 0.2873 0.2198 0.1387 0.0878 -0.0839 -0.0557 75 ARG H C 1115 C C B ARG A 70 ? 0.3076 0.1755 0.1342 0.0870 -0.0856 -0.0423 75 ARG H C 1116 O O A ARG A 70 ? 0.2711 0.2233 0.1321 0.0931 -0.0813 -0.0460 75 ARG H O 1117 O O B ARG A 70 ? 0.3027 0.1560 0.1330 0.0942 -0.0849 -0.0443 75 ARG H O 1118 C CB A ARG A 70 ? 0.2727 0.3083 0.1927 0.0503 -0.1231 -0.0503 75 ARG H CB 1119 C CB B ARG A 70 ? 0.3127 0.2012 0.1877 0.0406 -0.1045 -0.0025 75 ARG H CB 1120 C CG A ARG A 70 ? 0.2803 0.3094 0.2279 0.0706 -0.1350 -0.0409 75 ARG H CG 1121 C CG B ARG A 70 ? 0.3287 0.1887 0.1878 0.0179 -0.1247 0.0205 75 ARG H CG 1122 C CD A ARG A 70 ? 0.2845 0.2863 0.2458 0.0706 -0.1027 -0.0503 75 ARG H CD 1123 C CD B ARG A 70 ? 0.3633 0.2050 0.2560 0.0055 -0.1202 0.0268 75 ARG H CD 1124 N NE A ARG A 70 ? 0.2682 0.2710 0.2665 0.0637 -0.0824 -0.0255 75 ARG H NE 1125 N NE B ARG A 70 ? 0.3826 0.2298 0.2867 -0.0206 -0.1338 0.0181 75 ARG H NE 1126 C CZ A ARG A 70 ? 0.2537 0.2468 0.2515 0.0594 -0.1230 0.0343 75 ARG H CZ 1127 C CZ B ARG A 70 ? 0.3859 0.2436 0.2794 -0.0170 -0.1246 0.0556 75 ARG H CZ 1128 N NH1 A ARG A 70 ? 0.2734 0.2509 0.2552 0.0369 -0.1472 0.0260 75 ARG H NH1 1129 N NH1 B ARG A 70 ? 0.4022 0.2543 0.3109 -0.0194 -0.1083 0.0700 75 ARG H NH1 1130 N NH2 A ARG A 70 ? 0.2433 0.2600 0.2522 0.0589 -0.1131 0.0636 75 ARG H NH2 1131 N NH2 B ARG A 70 ? 0.3539 0.2404 0.2117 -0.0019 -0.1226 0.0741 75 ARG H NH2 1158 N N . TYR A 71 ? 0.3154 0.1980 0.1420 0.0892 -0.0754 -0.0451 76 TYR H N 1159 C CA . TYR A 71 ? 0.3096 0.1890 0.1288 0.1076 -0.0732 -0.0403 76 TYR H CA 1160 C C . TYR A 71 ? 0.3028 0.1809 0.1288 0.0983 -0.0805 -0.0331 76 TYR H C 1161 O O . TYR A 71 ? 0.3179 0.2025 0.1409 0.1013 -0.0896 -0.0449 76 TYR H O 1162 C CB . TYR A 71 ? 0.3515 0.2189 0.1426 0.1177 -0.0525 -0.0401 76 TYR H CB 1163 C CG . TYR A 71 ? 0.3664 0.2282 0.1368 0.1132 -0.0370 -0.0349 76 TYR H CG 1164 C CD1 . TYR A 71 ? 0.3561 0.2517 0.1683 0.1240 -0.0141 -0.0304 76 TYR H CD1 1165 C CD2 . TYR A 71 ? 0.3753 0.2337 0.1529 0.1105 -0.0350 -0.0117 76 TYR H CD2 1166 C CE1 . TYR A 71 ? 0.3483 0.2584 0.1492 0.1229 -0.0069 -0.0084 76 TYR H CE1 1167 C CE2 . TYR A 71 ? 0.3646 0.2451 0.1344 0.1171 -0.0510 -0.0012 76 TYR H CE2 1168 C CZ . TYR A 71 ? 0.3548 0.2610 0.1634 0.1173 -0.0271 0.0110 76 TYR H CZ 1169 O OH . TYR A 71 ? 0.3606 0.2699 0.1722 0.1187 -0.0424 0.0199 76 TYR H OH 1179 N N . GLU A 72 ? 0.2773 0.1750 0.1203 0.0956 -0.0732 -0.0413 77 GLU H N 1180 C CA . GLU A 72 ? 0.2464 0.1773 0.1134 0.0781 -0.0723 -0.0332 77 GLU H CA 1181 C C . GLU A 72 ? 0.2579 0.1660 0.1106 0.0780 -0.0703 -0.0321 77 GLU H C 1182 O O . GLU A 72 ? 0.2482 0.1730 0.1150 0.0808 -0.0703 -0.0179 77 GLU H O 1183 C CB . GLU A 72 ? 0.2536 0.1760 0.1106 0.0795 -0.0683 -0.0374 77 GLU H CB 1184 C CG . GLU A 72 ? 0.2592 0.1836 0.1066 0.0774 -0.0654 -0.0252 77 GLU H CG 1185 C CD . GLU A 72 ? 0.2365 0.1911 0.1199 0.0870 -0.0736 -0.0329 77 GLU H CD 1186 O OE1 . GLU A 72 ? 0.2260 0.1910 0.1109 0.0783 -0.0668 -0.0198 77 GLU H OE1 1187 O OE2 . GLU A 72 ? 0.2371 0.1700 0.1259 0.0806 -0.0816 -0.0397 77 GLU H OE2 1194 N N . ARG A 73 A 0.2685 0.1778 0.1114 0.0751 -0.0709 -0.0235 77 ARG H N 1195 C CA . ARG A 73 A 0.2731 0.1897 0.1143 0.0605 -0.0663 -0.0139 77 ARG H CA 1196 C C . ARG A 73 A 0.2573 0.2024 0.1191 0.0563 -0.0771 0.0034 77 ARG H C 1197 O O . ARG A 73 A 0.2606 0.1962 0.1168 0.0583 -0.0753 0.0005 77 ARG H O 1198 C CB . ARG A 73 A 0.2638 0.2088 0.1197 0.0380 -0.0834 -0.0252 77 ARG H CB 1199 C CG . ARG A 73 A 0.2549 0.2084 0.1335 0.0332 -0.0773 -0.0042 77 ARG H CG 1200 C CD . ARG A 73 A 0.2468 0.2130 0.1294 0.0228 -0.0857 -0.0069 77 ARG H CD 1201 N NE . ARG A 73 A 0.2610 0.1991 0.1237 0.0088 -0.0754 -0.0168 77 ARG H NE 1202 C CZ . ARG A 73 A 0.2473 0.1687 0.1121 -0.0214 -0.0827 0.0070 77 ARG H CZ 1203 N NH1 . ARG A 73 A 0.2595 0.1637 0.1164 -0.0353 -0.0639 0.0219 77 ARG H NH1 1204 N NH2 . ARG A 73 A 0.2729 0.1544 0.1279 -0.0316 -0.0887 0.0110 77 ARG H NH2 1218 N N . ASN A 74 ? 0.2437 0.1859 0.1071 0.0514 -0.0652 0.0118 78 ASN H N 1219 C CA . ASN A 74 ? 0.2666 0.1786 0.1131 0.0600 -0.0584 0.0204 78 ASN H CA 1220 C C . ASN A 74 ? 0.2567 0.1760 0.1258 0.0811 -0.0607 0.0110 78 ASN H C 1221 O O . ASN A 74 ? 0.2745 0.1732 0.1274 0.0683 -0.0684 0.0144 78 ASN H O 1222 C CB . ASN A 74 ? 0.2681 0.1791 0.1199 0.0442 -0.0676 0.0274 78 ASN H CB 1223 C CG . ASN A 74 ? 0.2604 0.1636 0.1466 0.0157 -0.0791 0.0312 78 ASN H CG 1224 O OD1 . ASN A 74 ? 0.2659 0.2002 0.1490 0.0126 -0.0644 0.0388 78 ASN H OD1 1225 N ND2 . ASN A 74 ? 0.2654 0.1599 0.1453 0.0094 -0.0875 0.0412 78 ASN H ND2 1232 N N . ILE A 75 ? 0.2357 0.1677 0.1130 0.0794 -0.0595 -0.0008 79 ILE H N 1233 C CA . ILE A 75 ? 0.2178 0.1626 0.1088 0.0679 -0.0650 -0.0063 79 ILE H CA 1234 C C . ILE A 75 ? 0.2335 0.1528 0.1100 0.0557 -0.0605 -0.0061 79 ILE H C 1235 O O . ILE A 75 ? 0.2233 0.1458 0.1319 0.0663 -0.0690 -0.0103 79 ILE H O 1236 C CB . ILE A 75 ? 0.2074 0.1684 0.1027 0.0675 -0.0611 -0.0085 79 ILE H CB 1237 C CG1 . ILE A 75 ? 0.2219 0.2086 0.1158 0.0649 -0.0674 0.0025 79 ILE H CG1 1238 C CG2 . ILE A 75 ? 0.2179 0.1666 0.1095 0.0639 -0.0671 -0.0049 79 ILE H CG2 1239 C CD1 . ILE A 75 ? 0.2135 0.2253 0.1423 0.0490 -0.0857 0.0208 79 ILE H CD1 1251 N N . GLU A 76 ? 0.2246 0.1546 0.1065 0.0655 -0.0664 -0.0097 80 GLU H N 1252 C CA . GLU A 76 ? 0.2290 0.1645 0.0980 0.0715 -0.0527 -0.0019 80 GLU H CA 1253 C C . GLU A 76 ? 0.2287 0.1736 0.1047 0.0753 -0.0415 0.0190 80 GLU H C 1254 O O . GLU A 76 ? 0.2472 0.2085 0.1100 0.0749 -0.0457 0.0253 80 GLU H O 1255 C CB . GLU A 76 ? 0.2258 0.1677 0.1048 0.0716 -0.0496 -0.0092 80 GLU H CB 1256 C CG . GLU A 76 ? 0.2541 0.1615 0.1067 0.0717 -0.0512 -0.0212 80 GLU H CG 1257 C CD . GLU A 76 ? 0.2352 0.1666 0.1104 0.0878 -0.0563 -0.0160 80 GLU H CD 1258 O OE1 . GLU A 76 ? 0.2337 0.1797 0.1313 0.0805 -0.0442 -0.0116 80 GLU H OE1 1259 O OE2 . GLU A 76 ? 0.2421 0.1863 0.1137 0.0773 -0.0587 -0.0192 80 GLU H OE2 1266 N N . LYS A 77 ? 0.2296 0.1898 0.1041 0.0826 -0.0451 0.0054 81 LYS H N 1267 C CA . LYS A 77 ? 0.2394 0.2172 0.1061 0.0793 -0.0233 0.0167 81 LYS H CA 1268 C C . LYS A 77 ? 0.2314 0.2305 0.1091 0.0880 -0.0199 0.0160 81 LYS H C 1269 O O . LYS A 77 ? 0.2412 0.2422 0.0992 0.0857 -0.0197 0.0272 81 LYS H O 1270 C CB . LYS A 77 ? 0.2409 0.2330 0.1277 0.0532 -0.0224 0.0310 81 LYS H CB 1271 C CG . LYS A 77 ? 0.2851 0.2533 0.1356 0.0571 -0.0259 0.0345 81 LYS H CG 1272 C CD . LYS A 77 ? 0.3019 0.2761 0.1636 0.0627 -0.0366 0.0500 81 LYS H CD 1273 C CE . LYS A 77 ? 0.3020 0.3059 0.1806 0.0590 -0.0432 0.0534 81 LYS H CE 1274 N NZ . LYS A 77 ? 0.3312 0.3345 0.2029 0.0713 -0.0478 0.0480 81 LYS H NZ 1288 N N . ILE A 78 ? 0.2334 0.2485 0.1058 0.0808 -0.0162 0.0231 82 ILE H N 1289 C CA . ILE A 78 ? 0.2629 0.2567 0.1385 0.1041 0.0122 0.0455 82 ILE H CA 1290 C C . ILE A 78 ? 0.2546 0.2854 0.1490 0.1037 0.0071 0.0720 82 ILE H C 1291 O O . ILE A 78 ? 0.2873 0.3358 0.1589 0.1011 0.0036 0.0905 82 ILE H O 1292 C CB . ILE A 78 ? 0.2909 0.2620 0.1406 0.1169 0.0142 0.0287 82 ILE H CB 1293 C CG1 . ILE A 78 ? 0.3059 0.2521 0.1504 0.1033 0.0032 0.0136 82 ILE H CG1 1294 C CG2 . ILE A 78 ? 0.3036 0.2633 0.1697 0.1335 0.0168 0.0179 82 ILE H CG2 1295 C CD1 . ILE A 78 ? 0.3276 0.2586 0.1549 0.1025 -0.0112 -0.0167 82 ILE H CD1 1307 N N . SER A 79 ? 0.2485 0.2879 0.1655 0.0916 -0.0093 0.0770 83 SER H N 1308 C CA . SER A 79 ? 0.2538 0.2982 0.1773 0.1026 -0.0036 0.0850 83 SER H CA 1309 C C . SER A 79 ? 0.2643 0.2962 0.1587 0.0941 0.0138 0.0875 83 SER H C 1310 O O . SER A 79 ? 0.2646 0.2699 0.1548 0.0806 0.0120 0.0380 83 SER H O 1311 C CB . SER A 79 ? 0.2672 0.3062 0.2135 0.1095 -0.0073 0.0879 83 SER H CB 1312 O OG . SER A 79 ? 0.2945 0.3227 0.2451 0.0852 0.0138 0.0735 83 SER H OG 1318 N N . MET A 80 ? 0.2570 0.3417 0.1919 0.0970 0.0150 0.0906 84 MET H N 1319 C CA . MET A 80 ? 0.2714 0.3644 0.1781 0.0957 0.0297 0.0835 84 MET H CA 1320 C C . MET A 80 ? 0.2485 0.3203 0.1817 0.1125 0.0362 0.0648 84 MET H C 1321 O O . MET A 80 ? 0.2679 0.3175 0.1991 0.1169 0.0403 0.0717 84 MET H O 1322 C CB . MET A 80 ? 0.3330 0.4381 0.1858 0.0651 0.0542 0.0957 84 MET H CB 1323 C CG . MET A 80 ? 0.4107 0.5210 0.2090 0.0389 0.0604 0.0839 84 MET H CG 1324 S SD . MET A 80 ? 0.4895 0.5970 0.2602 0.0083 0.0549 0.0462 84 MET H SD 1331 N N . LEU A 81 ? 0.2450 0.3046 0.1875 0.1033 0.0340 0.0612 85 LEU H N 1332 C CA A LEU A 81 ? 0.2430 0.3223 0.1830 0.0943 0.0350 0.0692 85 LEU H CA 1333 C CA B LEU A 81 ? 0.2460 0.3158 0.1883 0.0858 0.0220 0.0640 85 LEU H CA 1334 C C . LEU A 81 ? 0.2442 0.3268 0.1835 0.0933 0.0371 0.0727 85 LEU H C 1335 O O . LEU A 81 ? 0.2531 0.3486 0.2040 0.0856 0.0486 0.0506 85 LEU H O 1336 C CB A LEU A 81 ? 0.2443 0.3417 0.1744 0.0882 0.0406 0.0705 85 LEU H CB 1337 C CB B LEU A 81 ? 0.2589 0.3333 0.1961 0.0721 0.0091 0.0546 85 LEU H CB 1338 C CG A LEU A 81 ? 0.2511 0.3585 0.1659 0.0769 0.0515 0.0722 85 LEU H CG 1339 C CG B LEU A 81 ? 0.2836 0.3545 0.2164 0.0554 0.0076 0.0448 85 LEU H CG 1340 C CD1 A LEU A 81 ? 0.2669 0.3658 0.1857 0.0687 0.0491 0.0708 85 LEU H CD1 1341 C CD1 B LEU A 81 ? 0.2871 0.3599 0.2258 0.0656 0.0198 0.0361 85 LEU H CD1 1342 C CD2 A LEU A 81 ? 0.2402 0.3627 0.1601 0.0783 0.0634 0.0742 85 LEU H CD2 1343 C CD2 B LEU A 81 ? 0.3011 0.3627 0.2369 0.0455 0.0073 0.0429 85 LEU H CD2 1366 N N . GLU A 82 ? 0.2424 0.3164 0.1770 0.1044 0.0450 0.0902 86 GLU H N 1367 C CA . GLU A 82 ? 0.2504 0.3234 0.2096 0.0895 0.0483 0.1098 86 GLU H CA 1368 C C . GLU A 82 ? 0.2379 0.3138 0.2047 0.0804 0.0539 0.1015 86 GLU H C 1369 O O . GLU A 82 ? 0.2482 0.3094 0.2117 0.0883 0.0582 0.0911 86 GLU H O 1370 C CB . GLU A 82 ? 0.2645 0.3489 0.2420 0.0900 0.0300 0.1030 86 GLU H CB 1371 C CG . GLU A 82 ? 0.3214 0.3935 0.3105 0.0670 0.0127 0.1241 86 GLU H CG 1372 C CD . GLU A 82 ? 0.3994 0.4465 0.4067 0.0659 -0.0251 0.1202 86 GLU H CD 1373 O OE1 . GLU A 82 ? 0.4370 0.4562 0.4541 0.0733 -0.0235 0.1335 86 GLU H OE1 1374 O OE2 . GLU A 82 ? 0.4454 0.4817 0.4537 0.0545 -0.0171 0.1033 86 GLU H OE2 1381 N N . LYS A 83 ? 0.2269 0.2916 0.2027 0.0706 0.0409 0.1153 87 LYS H N 1382 C CA . LYS A 83 ? 0.2064 0.2786 0.2147 0.0544 0.0367 0.0904 87 LYS H CA 1383 C C . LYS A 83 ? 0.1893 0.2394 0.1949 0.0486 0.0271 0.0670 87 LYS H C 1384 O O . LYS A 83 ? 0.1851 0.2262 0.2128 0.0612 0.0323 0.0639 87 LYS H O 1385 C CB . LYS A 83 ? 0.2165 0.3127 0.2483 0.0488 0.0305 0.1208 87 LYS H CB 1386 C CG . LYS A 83 ? 0.2424 0.3471 0.2959 0.0661 0.0281 0.1221 87 LYS H CG 1387 C CD . LYS A 83 ? 0.2926 0.3968 0.3542 0.0815 0.0150 0.1153 87 LYS H CD 1388 C CE . LYS A 83 ? 0.3396 0.4389 0.4081 0.0691 0.0214 0.0904 87 LYS H CE 1389 N NZ . LYS A 83 ? 0.3725 0.4674 0.4395 0.0605 0.0302 0.0747 87 LYS H NZ 1403 N N . ILE A 84 ? 0.1949 0.2389 0.1705 0.0565 0.0186 0.0598 88 ILE H N 1404 C CA . ILE A 84 ? 0.1853 0.2375 0.1783 0.0676 0.0154 0.0607 88 ILE H CA 1405 C C . ILE A 84 ? 0.1499 0.2345 0.1939 0.0625 0.0059 0.0565 88 ILE H C 1406 O O . ILE A 84 ? 0.1627 0.2540 0.1995 0.0501 0.0083 0.0597 88 ILE H O 1407 C CB . ILE A 84 ? 0.2366 0.2578 0.1602 0.0530 0.0036 0.0488 88 ILE H CB 1408 C CG1 . ILE A 84 ? 0.2437 0.2761 0.1753 0.0562 0.0022 0.0465 88 ILE H CG1 1409 C CG2 . ILE A 84 ? 0.2483 0.2705 0.1783 0.0538 0.0074 0.0417 88 ILE H CG2 1410 C CD1 . ILE A 84 ? 0.2512 0.2901 0.1886 0.0275 -0.0022 0.0289 88 ILE H CD1 1422 N N . TYR A 85 ? 0.1525 0.2044 0.1737 0.0547 0.0050 0.0505 89 TYR H N 1423 C CA . TYR A 85 ? 0.1600 0.1726 0.1931 0.0456 -0.0007 0.0645 89 TYR H CA 1424 C C . TYR A 85 ? 0.1513 0.1875 0.1729 0.0508 -0.0087 0.0469 89 TYR H C 1425 O O . TYR A 85 ? 0.1547 0.2244 0.2032 0.0737 0.0199 0.0851 89 TYR H O 1426 C CB . TYR A 85 ? 0.1790 0.1903 0.2193 0.0365 0.0153 0.0704 89 TYR H CB 1427 C CG . TYR A 85 ? 0.2182 0.2144 0.2472 0.0341 0.0242 0.0814 89 TYR H CG 1428 C CD1 . TYR A 85 ? 0.2499 0.2223 0.2433 0.0462 0.0219 0.0909 89 TYR H CD1 1429 C CD2 . TYR A 85 ? 0.2527 0.2556 0.2915 0.0124 0.0182 0.0875 89 TYR H CD2 1430 C CE1 . TYR A 85 ? 0.2890 0.2510 0.2700 0.0373 0.0269 0.0998 89 TYR H CE1 1431 C CE2 . TYR A 85 ? 0.2961 0.2725 0.3150 -0.0113 0.0471 0.0992 89 TYR H CE2 1432 C CZ . TYR A 85 ? 0.3251 0.2788 0.3022 -0.0071 0.0582 0.1179 89 TYR H CZ 1433 O OH . TYR A 85 ? 0.3909 0.3143 0.3481 -0.0220 0.0773 0.1368 89 TYR H OH 1443 N N . ILE A 86 ? 0.1397 0.1964 0.1642 0.0431 -0.0051 0.0505 90 ILE H N 1444 C CA A ILE A 86 ? 0.1496 0.1953 0.1519 0.0205 -0.0110 0.0438 90 ILE H CA 1445 C CA B ILE A 86 ? 0.1334 0.1900 0.1627 0.0346 -0.0187 0.0465 90 ILE H CA 1446 C C . ILE A 86 ? 0.1399 0.1749 0.1563 0.0324 -0.0163 0.0402 90 ILE H C 1447 O O . ILE A 86 ? 0.1385 0.1954 0.1706 0.0275 -0.0170 0.0357 90 ILE H O 1448 C CB A ILE A 86 ? 0.1574 0.2164 0.1536 0.0182 -0.0155 0.0343 90 ILE H CB 1449 C CB B ILE A 86 ? 0.1303 0.2010 0.1771 0.0411 -0.0317 0.0419 90 ILE H CB 1450 C CG1 A ILE A 86 ? 0.1304 0.2426 0.1650 0.0317 -0.0178 0.0353 90 ILE H CG1 1451 C CG1 B ILE A 86 ? 0.1185 0.2199 0.1994 0.0437 -0.0197 0.0297 90 ILE H CG1 1452 C CG2 A ILE A 86 ? 0.1779 0.2085 0.1485 0.0094 -0.0113 0.0180 90 ILE H CG2 1453 C CG2 B ILE A 86 ? 0.1629 0.2040 0.1869 0.0307 -0.0369 0.0293 90 ILE H CG2 1454 C CD1 A ILE A 86 ? 0.1281 0.2602 0.1501 0.0477 -0.0162 0.0316 90 ILE H CD1 1455 C CD1 B ILE A 86 ? 0.1349 0.2212 0.1996 0.0534 -0.0117 0.0094 90 ILE H CD1 1478 N N . HIS A 87 ? 0.1297 0.1710 0.1526 0.0443 -0.0234 0.0384 91 HIS H N 1479 C CA . HIS A 87 ? 0.1329 0.1690 0.1637 0.0426 -0.0273 0.0276 91 HIS H CA 1480 C C . HIS A 87 ? 0.1418 0.1641 0.1617 0.0258 -0.0265 0.0173 91 HIS H C 1481 O O . HIS A 87 ? 0.1500 0.1691 0.1507 0.0497 -0.0348 0.0104 91 HIS H O 1482 C CB . HIS A 87 ? 0.1446 0.1591 0.1673 0.0332 -0.0244 0.0183 91 HIS H CB 1483 C CG . HIS A 87 ? 0.1450 0.1509 0.1749 0.0253 -0.0300 0.0291 91 HIS H CG 1484 N ND1 . HIS A 87 ? 0.1596 0.1549 0.1621 0.0174 -0.0301 0.0223 91 HIS H ND1 1485 C CD2 . HIS A 87 ? 0.1485 0.1528 0.1882 0.0350 -0.0307 0.0102 91 HIS H CD2 1486 C CE1 . HIS A 87 ? 0.1588 0.1599 0.1588 0.0112 -0.0415 0.0099 91 HIS H CE1 1487 N NE2 . HIS A 87 ? 0.1631 0.1761 0.1831 0.0120 -0.0373 0.0128 91 HIS H NE2 1494 N N . PRO A 88 ? 0.1484 0.1928 0.1714 0.0241 -0.0435 0.0370 92 PRO H N 1495 C CA . PRO A 88 ? 0.1487 0.2105 0.1857 0.0324 -0.0445 0.0367 92 PRO H CA 1496 C C . PRO A 88 ? 0.1411 0.2254 0.1823 0.0460 -0.0397 0.0207 92 PRO H C 1497 O O . PRO A 88 ? 0.1579 0.2626 0.2026 0.0821 -0.0146 0.0433 92 PRO H O 1498 C CB . PRO A 88 ? 0.1697 0.2255 0.2331 0.0140 -0.0463 0.0421 92 PRO H CB 1499 C CG . PRO A 88 ? 0.1997 0.2183 0.2467 -0.0064 -0.0416 0.0286 92 PRO H CG 1500 C CD . PRO A 88 ? 0.1797 0.1948 0.2134 0.0055 -0.0452 0.0341 92 PRO H CD 1508 N N . ARG A 89 ? 0.1401 0.1819 0.1479 0.0337 -0.0389 0.0097 93 ARG H N 1509 C CA . ARG A 89 ? 0.1534 0.1541 0.1503 0.0342 -0.0451 0.0077 93 ARG H CA 1510 C C . ARG A 89 ? 0.1576 0.1447 0.1497 0.0310 -0.0452 0.0058 93 ARG H C 1511 O O . ARG A 89 ? 0.1767 0.1646 0.1365 0.0169 -0.0460 0.0145 93 ARG H O 1512 C CB . ARG A 89 ? 0.1573 0.1613 0.1720 0.0286 -0.0474 0.0065 93 ARG H CB 1513 C CG . ARG A 89 ? 0.1789 0.1956 0.1717 -0.0085 -0.0740 0.0047 93 ARG H CG 1514 C CD . ARG A 89 ? 0.2049 0.1984 0.1769 -0.0021 -0.0796 0.0294 93 ARG H CD 1515 N NE . ARG A 89 ? 0.2183 0.1952 0.1697 -0.0035 -0.0888 0.0246 93 ARG H NE 1516 C CZ . ARG A 89 ? 0.2119 0.1844 0.1655 -0.0106 -0.0916 0.0202 93 ARG H CZ 1517 N NH1 . ARG A 89 ? 0.2406 0.1956 0.1736 0.0043 -0.0730 0.0045 93 ARG H NH1 1518 N NH2 . ARG A 89 ? 0.2375 0.1896 0.1755 -0.0028 -0.0900 0.0283 93 ARG H NH2 1532 N N . TYR A 90 ? 0.1490 0.1415 0.1366 0.0422 -0.0479 0.0066 94 TYR H N 1533 C CA . TYR A 90 ? 0.1525 0.1291 0.1383 0.0576 -0.0476 -0.0003 94 TYR H CA 1534 C C . TYR A 90 ? 0.1559 0.1332 0.1473 0.0636 -0.0534 -0.0167 94 TYR H C 1535 O O . TYR A 90 ? 0.1772 0.1675 0.1688 0.0938 -0.0280 0.0003 94 TYR H O 1536 C CB . TYR A 90 ? 0.1570 0.1237 0.1384 0.0545 -0.0473 0.0029 94 TYR H CB 1537 C CG . TYR A 90 ? 0.1474 0.1184 0.1381 0.0546 -0.0548 0.0005 94 TYR H CG 1538 C CD1 . TYR A 90 ? 0.1516 0.1177 0.1237 0.0603 -0.0503 -0.0069 94 TYR H CD1 1539 C CD2 . TYR A 90 ? 0.1549 0.1224 0.1384 0.0695 -0.0492 -0.0061 94 TYR H CD2 1540 C CE1 . TYR A 90 ? 0.1481 0.1081 0.1312 0.0541 -0.0530 -0.0087 94 TYR H CE1 1541 C CE2 . TYR A 90 ? 0.1618 0.1238 0.1241 0.0742 -0.0448 -0.0093 94 TYR H CE2 1542 C CZ . TYR A 90 ? 0.1581 0.1103 0.1414 0.0624 -0.0470 -0.0145 94 TYR H CZ 1543 O OH . TYR A 90 ? 0.1612 0.1255 0.1453 0.0566 -0.0533 -0.0189 94 TYR H OH 1553 N N . ASN A 91 ? 0.1584 0.1187 0.1450 0.0650 -0.0501 -0.0106 95 ASN H N 1554 C CA . ASN A 91 ? 0.1621 0.1241 0.1496 0.0647 -0.0521 -0.0083 95 ASN H CA 1555 C C . ASN A 91 ? 0.1547 0.1263 0.1580 0.0562 -0.0493 -0.0078 95 ASN H C 1556 O O . ASN A 91 ? 0.1714 0.1546 0.1707 0.0389 -0.0211 -0.0224 95 ASN H O 1557 C CB . ASN A 91 ? 0.1794 0.1257 0.1536 0.0660 -0.0625 -0.0048 95 ASN H CB 1558 C CG . ASN A 91 ? 0.1915 0.1309 0.1665 0.0439 -0.0684 -0.0198 95 ASN H CG 1559 O OD1 . ASN A 91 ? 0.2252 0.1463 0.1748 0.0702 -0.0599 -0.0103 95 ASN H OD1 1560 N ND2 . ASN A 91 ? 0.2177 0.1356 0.1747 0.0466 -0.0771 -0.0050 95 ASN H ND2 1567 N N . TRP A 92 ? 0.1484 0.1256 0.1532 0.0522 -0.0595 -0.0239 96 TRP H N 1568 C CA . TRP A 92 ? 0.1686 0.1316 0.1529 0.0581 -0.0672 -0.0147 96 TRP H CA 1569 C C . TRP A 92 ? 0.1806 0.1375 0.1561 0.0494 -0.0789 -0.0244 96 TRP H C 1570 O O . TRP A 92 ? 0.1992 0.1460 0.1968 0.0335 -0.0777 -0.0178 96 TRP H O 1571 C CB . TRP A 92 ? 0.1808 0.1413 0.1561 0.0707 -0.0655 -0.0140 96 TRP H CB 1572 C CG . TRP A 92 ? 0.1761 0.1321 0.1626 0.0764 -0.0688 -0.0342 96 TRP H CG 1573 C CD1 . TRP A 92 ? 0.2026 0.1266 0.1959 0.0737 -0.0441 -0.0345 96 TRP H CD1 1574 C CD2 . TRP A 92 ? 0.1913 0.1222 0.1562 0.0734 -0.0725 -0.0420 96 TRP H CD2 1575 N NE1 . TRP A 92 ? 0.2079 0.1468 0.1988 0.0675 -0.0407 -0.0340 96 TRP H NE1 1576 C CE2 . TRP A 92 ? 0.2037 0.1421 0.1835 0.0835 -0.0669 -0.0358 96 TRP H CE2 1577 C CE3 . TRP A 92 ? 0.2177 0.1321 0.1457 0.0783 -0.0671 -0.0454 96 TRP H CE3 1578 C CZ2 . TRP A 92 ? 0.2201 0.1738 0.1807 0.0895 -0.0653 -0.0446 96 TRP H CZ2 1579 C CZ3 . TRP A 92 ? 0.2437 0.1508 0.1575 0.0950 -0.0606 -0.0277 96 TRP H CZ3 1580 C CH2 . TRP A 92 ? 0.2374 0.1671 0.1662 0.1093 -0.0523 -0.0334 96 TRP H CH2 1591 N N . ARG A 93 ? 0.1924 0.1178 0.1646 0.0625 -0.0764 -0.0409 97 ARG H N 1592 C CA A ARG A 93 ? 0.2005 0.1254 0.1810 0.0760 -0.0745 -0.0399 97 ARG H CA 1593 C CA B ARG A 93 ? 0.2055 0.1204 0.1786 0.0734 -0.0693 -0.0315 97 ARG H CA 1594 C C . ARG A 93 ? 0.2214 0.1125 0.1978 0.0728 -0.0589 -0.0213 97 ARG H C 1595 O O . ARG A 93 ? 0.2654 0.1230 0.2137 0.0677 -0.0507 -0.0283 97 ARG H O 1596 C CB A ARG A 93 ? 0.2075 0.1406 0.1872 0.0782 -0.0951 -0.0499 97 ARG H CB 1597 C CB B ARG A 93 ? 0.2198 0.1264 0.1803 0.0765 -0.0774 -0.0245 97 ARG H CB 1598 C CG A ARG A 93 ? 0.2026 0.1624 0.2052 0.0868 -0.0966 -0.0675 97 ARG H CG 1599 C CG B ARG A 93 ? 0.2252 0.1349 0.1860 0.0852 -0.0737 -0.0280 97 ARG H CG 1600 C CD A ARG A 93 ? 0.1965 0.1909 0.2244 0.0767 -0.0901 -0.0952 97 ARG H CD 1601 C CD B ARG A 93 ? 0.2261 0.1339 0.2026 0.0840 -0.0598 -0.0418 97 ARG H CD 1602 N NE A ARG A 93 ? 0.2016 0.2240 0.2497 0.0739 -0.0714 -0.1171 97 ARG H NE 1603 N NE B ARG A 93 ? 0.2232 0.1459 0.2028 0.0949 -0.0584 -0.0384 97 ARG H NE 1604 C CZ A ARG A 93 ? 0.2133 0.2611 0.2857 0.0706 -0.0684 -0.1042 97 ARG H CZ 1605 C CZ B ARG A 93 ? 0.2319 0.1434 0.2061 0.0903 -0.0639 -0.0438 97 ARG H CZ 1606 N NH1 A ARG A 93 ? 0.2066 0.2538 0.2973 0.0801 -0.0821 -0.1292 97 ARG H NH1 1607 N NH1 B ARG A 93 ? 0.2390 0.1497 0.2310 0.0945 -0.0742 -0.0335 97 ARG H NH1 1608 N NH2 A ARG A 93 ? 0.2287 0.2997 0.2918 0.0729 -0.0502 -0.0792 97 ARG H NH2 1609 N NH2 B ARG A 93 ? 0.2570 0.1501 0.2146 0.0740 -0.0487 -0.0423 97 ARG H NH2 1636 N N . GLU A 94 A 0.2265 0.1201 0.1932 0.0785 -0.0516 -0.0152 97 GLU H N 1637 C CA . GLU A 94 A 0.2155 0.1299 0.2111 0.0627 -0.0460 -0.0267 97 GLU H CA 1638 C C . GLU A 94 A 0.2107 0.1277 0.2310 0.0394 -0.0625 -0.0390 97 GLU H C 1639 O O . GLU A 94 A 0.2512 0.1582 0.3248 0.0367 -0.0641 -0.0515 97 GLU H O 1640 C CB . GLU A 94 A 0.1971 0.1707 0.2259 0.0583 -0.0510 -0.0125 97 GLU H CB 1641 C CG . GLU A 94 A 0.2229 0.2157 0.2704 0.0391 -0.0247 -0.0109 97 GLU H CG 1642 C CD . GLU A 94 A 0.2430 0.2667 0.2852 0.0295 -0.0178 -0.0261 97 GLU H CD 1643 O OE1 . GLU A 94 A 0.2732 0.3305 0.2898 -0.0110 -0.0523 -0.0505 97 GLU H OE1 1644 O OE2 . GLU A 94 A 0.2419 0.2571 0.2844 0.0543 -0.0090 -0.0216 97 GLU H OE2 1651 N N . ASN A 95 ? 0.1913 0.1002 0.1950 0.0443 -0.0389 -0.0142 98 ASN H N 1652 C CA . ASN A 95 ? 0.1674 0.1069 0.1837 0.0232 -0.0339 -0.0178 98 ASN H CA 1653 C C . ASN A 95 ? 0.1613 0.1084 0.1636 0.0342 -0.0374 -0.0198 98 ASN H C 1654 O O . ASN A 95 ? 0.1606 0.1370 0.1566 0.0409 -0.0344 -0.0228 98 ASN H O 1655 C CB . ASN A 95 ? 0.1632 0.1145 0.1758 0.0300 -0.0287 0.0091 98 ASN H CB 1656 C CG . ASN A 95 ? 0.1546 0.1093 0.1522 0.0429 -0.0350 0.0144 98 ASN H CG 1657 O OD1 . ASN A 95 ? 0.1578 0.1037 0.1472 0.0267 -0.0353 -0.0003 98 ASN H OD1 1658 N ND2 . ASN A 95 ? 0.1765 0.1308 0.1451 0.0338 -0.0292 0.0116 98 ASN H ND2 1665 N N . LEU A 96 ? 0.1603 0.1019 0.1467 0.0367 -0.0402 -0.0207 99 LEU H N 1666 C CA . LEU A 96 ? 0.1469 0.1065 0.1475 0.0411 -0.0663 -0.0214 99 LEU H CA 1667 C C . LEU A 96 ? 0.1570 0.1050 0.1326 0.0386 -0.0513 -0.0106 99 LEU H C 1668 O O . LEU A 96 ? 0.1608 0.1098 0.1414 0.0579 -0.0554 -0.0073 99 LEU H O 1669 C CB . LEU A 96 ? 0.1707 0.1577 0.1689 0.0462 -0.0544 -0.0562 99 LEU H CB 1670 C CG . LEU A 96 ? 0.1781 0.2207 0.2028 0.0360 -0.0533 -0.0763 99 LEU H CG 1671 C CD1 . LEU A 96 ? 0.1547 0.2322 0.1918 0.0150 -0.0586 -0.0825 99 LEU H CD1 1672 C CD2 . LEU A 96 ? 0.1779 0.1708 0.1896 0.0697 -0.0716 -0.0742 99 LEU H CD2 1684 N N . ASP A 97 ? 0.1498 0.1061 0.1206 0.0435 -0.0606 -0.0088 100 ASP H N 1685 C CA . ASP A 97 ? 0.1409 0.1050 0.1219 0.0277 -0.0457 0.0004 100 ASP H CA 1686 C C . ASP A 97 ? 0.1410 0.1075 0.1222 0.0358 -0.0407 -0.0090 100 ASP H C 1687 O O . ASP A 97 ? 0.1539 0.1061 0.1446 0.0554 -0.0339 0.0012 100 ASP H O 1688 C CB . ASP A 97 ? 0.1603 0.1128 0.1252 0.0223 -0.0624 -0.0014 100 ASP H CB 1689 C CG . ASP A 97 ? 0.1638 0.1268 0.1388 0.0183 -0.0631 -0.0054 100 ASP H CG 1690 O OD1 . ASP A 97 ? 0.1837 0.1128 0.1285 0.0255 -0.0442 0.0023 100 ASP H OD1 1691 O OD2 . ASP A 97 ? 0.1698 0.1763 0.1623 0.0079 -0.0519 -0.0364 100 ASP H OD2 1696 N N . ARG A 98 ? 0.1425 0.1006 0.1195 0.0396 -0.0454 -0.0070 101 ARG H N 1697 C CA . ARG A 98 ? 0.1506 0.0900 0.1217 0.0351 -0.0362 0.0012 101 ARG H CA 1698 C C . ARG A 98 ? 0.1471 0.0969 0.1155 0.0333 -0.0381 0.0012 101 ARG H C 1699 O O . ARG A 98 ? 0.1398 0.1129 0.1271 0.0396 -0.0390 0.0057 101 ARG H O 1700 C CB . ARG A 98 ? 0.1628 0.1175 0.1394 0.0240 -0.0435 0.0009 101 ARG H CB 1701 C CG . ARG A 98 ? 0.1638 0.1502 0.1435 0.0084 -0.0470 -0.0100 101 ARG H CG 1702 C CD . ARG A 98 ? 0.1749 0.1506 0.1562 -0.0064 -0.0513 0.0073 101 ARG H CD 1703 N NE . ARG A 98 ? 0.1947 0.1627 0.1650 0.0036 -0.0487 0.0060 101 ARG H NE 1704 C CZ . ARG A 98 ? 0.1889 0.1820 0.1548 0.0103 -0.0615 0.0213 101 ARG H CZ 1705 N NH1 . ARG A 98 ? 0.2027 0.1822 0.1654 0.0397 -0.0493 0.0148 101 ARG H NH1 1706 N NH2 . ARG A 98 ? 0.2020 0.2304 0.1678 -0.0050 -0.0684 0.0117 101 ARG H NH2 1720 N N . ASP A 99 ? 0.1341 0.0999 0.1190 0.0285 -0.0404 0.0070 102 ASP H N 1721 C CA . ASP A 99 ? 0.1285 0.1009 0.1151 0.0413 -0.0426 -0.0021 102 ASP H CA 1722 C C . ASP A 99 ? 0.1272 0.0904 0.1158 0.0362 -0.0335 0.0081 102 ASP H C 1723 O O . ASP A 99 ? 0.1356 0.0944 0.1213 0.0338 -0.0271 0.0032 102 ASP H O 1724 C CB . ASP A 99 ? 0.1327 0.0936 0.1153 0.0412 -0.0400 0.0037 102 ASP H CB 1725 C CG . ASP A 99 ? 0.1291 0.0967 0.1248 0.0450 -0.0372 0.0116 102 ASP H CG 1726 O OD1 . ASP A 99 ? 0.1505 0.1053 0.1222 0.0505 -0.0369 0.0043 102 ASP H OD1 1727 O OD2 . ASP A 99 ? 0.1427 0.0997 0.1330 0.0357 -0.0453 0.0082 102 ASP H OD2 1732 N N . ILE A 100 ? 0.1223 0.0898 0.1265 0.0339 -0.0267 0.0118 103 ILE H N 1733 C CA . ILE A 100 ? 0.1254 0.0936 0.1248 0.0262 -0.0296 0.0152 103 ILE H CA 1734 C C . ILE A 100 ? 0.1233 0.1008 0.1350 0.0387 -0.0287 0.0152 103 ILE H C 1735 O O . ILE A 100 ? 0.1313 0.1153 0.1350 0.0441 -0.0262 0.0171 103 ILE H O 1736 C CB . ILE A 100 ? 0.1319 0.0981 0.1281 0.0277 -0.0378 0.0069 103 ILE H CB 1737 C CG1 . ILE A 100 ? 0.1378 0.0936 0.1431 0.0330 -0.0297 0.0070 103 ILE H CG1 1738 C CG2 . ILE A 100 ? 0.1452 0.1192 0.1272 0.0321 -0.0255 -0.0028 103 ILE H CG2 1739 C CD1 . ILE A 100 ? 0.1677 0.0975 0.1576 0.0393 -0.0355 -0.0007 103 ILE H CD1 1751 N N . ALA A 101 ? 0.1290 0.1122 0.1306 0.0448 -0.0231 0.0208 104 ALA H N 1752 C CA . ALA A 101 ? 0.1300 0.1222 0.1343 0.0414 -0.0151 0.0160 104 ALA H CA 1753 C C . ALA A 101 ? 0.1252 0.1340 0.1365 0.0354 -0.0157 0.0287 104 ALA H C 1754 O O . ALA A 101 ? 0.1333 0.1267 0.1341 0.0316 -0.0175 0.0308 104 ALA H O 1755 C CB . ALA A 101 ? 0.1603 0.1306 0.1435 0.0434 -0.0057 0.0134 104 ALA H CB 1761 N N . LEU A 102 ? 0.1236 0.1411 0.1604 0.0371 -0.0075 0.0507 105 LEU H N 1762 C CA . LEU A 102 ? 0.1344 0.1368 0.1652 0.0372 -0.0004 0.0446 105 LEU H CA 1763 C C . LEU A 102 ? 0.1382 0.1697 0.1708 0.0362 0.0054 0.0500 105 LEU H C 1764 O O . LEU A 102 ? 0.1532 0.2089 0.1750 0.0548 0.0125 0.0577 105 LEU H O 1765 C CB . LEU A 102 ? 0.1380 0.1321 0.1790 0.0366 -0.0180 0.0509 105 LEU H CB 1766 C CG . LEU A 102 ? 0.1622 0.1286 0.1826 0.0175 -0.0312 0.0316 105 LEU H CG 1767 C CD1 . LEU A 102 ? 0.1975 0.1464 0.1965 0.0261 -0.0294 0.0280 105 LEU H CD1 1768 C CD2 . LEU A 102 ? 0.1592 0.1433 0.1916 0.0280 -0.0199 0.0304 105 LEU H CD2 1780 N N . MET A 103 ? 0.1600 0.1702 0.1561 0.0387 -0.0054 0.0538 106 MET H N 1781 C CA . MET A 103 ? 0.1796 0.1702 0.1702 0.0417 -0.0049 0.0495 106 MET H CA 1782 C C . MET A 103 ? 0.1726 0.1801 0.1759 0.0491 0.0055 0.0573 106 MET H C 1783 O O . MET A 103 ? 0.1854 0.1832 0.1717 0.0597 0.0196 0.0678 106 MET H O 1784 C CB . MET A 103 ? 0.2240 0.1738 0.1966 0.0318 -0.0062 0.0399 106 MET H CB 1785 C CG . MET A 103 ? 0.2121 0.1951 0.2478 0.0455 -0.0207 0.0273 106 MET H CG 1786 S SD . MET A 103 ? 0.2479 0.2107 0.2717 0.0350 -0.0178 0.0059 106 MET H SD 1787 C CE . MET A 103 ? 0.2891 0.1916 0.2461 0.0239 -0.0017 0.0512 106 MET H CE 1797 N N . LYS A 104 ? 0.1777 0.1876 0.1922 0.0451 0.0128 0.0683 107 LYS H N 1798 C CA . LYS A 104 ? 0.1911 0.2008 0.1847 0.0242 0.0175 0.0793 107 LYS H CA 1799 C C . LYS A 104 ? 0.2101 0.2062 0.1805 0.0413 0.0266 0.0802 107 LYS H C 1800 O O . LYS A 104 ? 0.2092 0.2266 0.1903 0.0569 0.0312 0.0584 107 LYS H O 1801 C CB . LYS A 104 ? 0.2242 0.2263 0.2044 -0.0021 0.0059 0.0837 107 LYS H CB 1802 C CG . LYS A 104 ? 0.2603 0.2521 0.2684 -0.0118 -0.0103 0.0938 107 LYS H CG 1803 C CD . LYS A 104 ? 0.3112 0.2986 0.3340 0.0063 -0.0156 0.0906 107 LYS H CD 1804 C CE . LYS A 104 ? 0.3634 0.3328 0.3860 0.0044 -0.0214 0.0754 107 LYS H CE 1813 N N . LEU A 105 ? 0.2121 0.2138 0.1712 0.0375 0.0091 0.0803 108 LEU H N 1814 C CA . LEU A 105 ? 0.2155 0.2482 0.1756 0.0467 0.0134 0.0735 108 LEU H CA 1815 C C . LEU A 105 ? 0.2339 0.2654 0.1832 0.0594 0.0256 0.0804 108 LEU H C 1816 O O . LEU A 105 ? 0.2319 0.2800 0.2092 0.0477 0.0378 0.0991 108 LEU H O 1817 C CB . LEU A 105 ? 0.2250 0.2737 0.1811 0.0278 0.0142 0.0932 108 LEU H CB 1818 C CG . LEU A 105 ? 0.2316 0.2892 0.1925 0.0153 0.0173 0.0936 108 LEU H CG 1819 C CD1 . LEU A 105 ? 0.2305 0.3153 0.2221 0.0193 0.0332 0.0653 108 LEU H CD1 1820 C CD2 . LEU A 105 ? 0.2384 0.2799 0.1834 -0.0175 -0.0022 0.0932 108 LEU H CD2 1832 N N . LYS A 106 ? 0.2538 0.2907 0.1826 0.0795 0.0362 0.0974 109 LYS H N 1833 C CA . LYS A 106 ? 0.2907 0.3299 0.2108 0.0772 0.0696 0.1113 109 LYS H CA 1834 C C . LYS A 106 ? 0.2951 0.3421 0.2323 0.0756 0.0707 0.1392 109 LYS H C 1835 O O . LYS A 106 ? 0.2999 0.3449 0.2850 0.0731 0.0773 0.1345 109 LYS H O 1836 C CB . LYS A 106 ? 0.3278 0.3431 0.2359 0.1004 0.0923 0.1018 109 LYS H CB 1837 C CG . LYS A 106 ? 0.3560 0.3648 0.2577 0.1099 0.0958 0.0813 109 LYS H CG 1838 C CD . LYS A 106 ? 0.3896 0.3904 0.2962 0.1234 0.1142 0.0574 109 LYS H CD 1839 C CE . LYS A 106 ? 0.4344 0.4183 0.3220 0.1220 0.1148 0.0483 109 LYS H CE 1840 N NZ . LYS A 106 ? 0.4807 0.4483 0.3437 0.1021 0.1101 0.0289 109 LYS H NZ 1854 N N . LYS A 107 ? 0.2858 0.3394 0.2315 0.0892 0.0569 0.1513 110 LYS H N 1855 C CA . LYS A 107 ? 0.2940 0.3403 0.2466 0.0914 0.0600 0.1576 110 LYS H CA 1856 C C . LYS A 107 ? 0.2689 0.3086 0.2621 0.0672 0.0573 0.1533 110 LYS H C 1857 O O . LYS A 107 ? 0.2589 0.2916 0.2625 0.0628 0.0572 0.1490 110 LYS H O 1858 C CB . LYS A 107 ? 0.3358 0.3788 0.2590 0.1019 0.0579 0.1605 110 LYS H CB 1859 C CG . LYS A 107 ? 0.3863 0.4165 0.3091 0.0875 0.0345 0.1367 110 LYS H CG 1860 C CD . LYS A 107 ? 0.4138 0.4345 0.3323 0.0775 0.0128 0.1192 110 LYS H CD 1867 N N . PRO A 108 ? 0.2742 0.3104 0.2835 0.0514 0.0643 0.1398 111 PRO H N 1868 C CA . PRO A 108 ? 0.2723 0.3168 0.2714 0.0622 0.0357 0.1280 111 PRO H CA 1869 C C . PRO A 108 ? 0.2459 0.3177 0.2285 0.0807 0.0125 0.1385 111 PRO H C 1870 O O . PRO A 108 ? 0.2661 0.3474 0.2260 0.0690 0.0016 0.1487 111 PRO H O 1871 C CB . PRO A 108 ? 0.3098 0.3330 0.3126 0.0460 0.0447 0.1130 111 PRO H CB 1872 C CG . PRO A 108 ? 0.3314 0.3409 0.3496 0.0232 0.0685 0.0986 111 PRO H CG 1873 C CD . PRO A 108 ? 0.3051 0.3232 0.3271 0.0298 0.0664 0.1212 111 PRO H CD 1881 N N . VAL A 109 ? 0.2337 0.3081 0.2030 0.0866 0.0242 0.1060 112 VAL H N 1882 C CA . VAL A 109 ? 0.2383 0.3013 0.1870 0.0805 0.0126 0.0809 112 VAL H CA 1883 C C . VAL A 109 ? 0.2359 0.3037 0.1881 0.0853 0.0168 0.0947 112 VAL H C 1884 O O . VAL A 109 ? 0.2410 0.3019 0.2234 0.0975 0.0024 0.0912 112 VAL H O 1885 C CB . VAL A 109 ? 0.2404 0.2975 0.1968 0.0589 0.0017 0.0537 112 VAL H CB 1886 C CG1 . VAL A 109 ? 0.2623 0.2809 0.1786 0.0569 -0.0145 0.0589 112 VAL H CG1 1887 C CG2 . VAL A 109 ? 0.2550 0.3067 0.2171 0.0719 0.0147 0.0468 112 VAL H CG2 1897 N N . ALA A 110 ? 0.2411 0.3002 0.1803 0.0886 0.0140 0.0955 113 ALA H N 1898 C CA . ALA A 110 ? 0.2398 0.2843 0.1952 0.0756 0.0002 0.1142 113 ALA H CA 1899 C C . ALA A 110 ? 0.2341 0.2313 0.1857 0.0584 -0.0051 0.0796 113 ALA H C 1900 O O . ALA A 110 ? 0.2525 0.2427 0.1719 0.0685 0.0069 0.0624 113 ALA H O 1901 C CB . ALA A 110 ? 0.2508 0.3282 0.2070 0.0732 -0.0133 0.1282 113 ALA H CB 1907 N N . PHE A 111 ? 0.2155 0.1908 0.1951 0.0384 -0.0209 0.0883 114 PHE H N 1908 C CA . PHE A 111 ? 0.2013 0.1594 0.1797 0.0325 -0.0205 0.0631 114 PHE H CA 1909 C C . PHE A 111 ? 0.2210 0.1296 0.1565 0.0371 -0.0237 0.0616 114 PHE H C 1910 O O . PHE A 111 ? 0.2298 0.1684 0.1807 0.0497 -0.0186 0.0759 114 PHE H O 1911 C CB . PHE A 111 ? 0.2014 0.1477 0.1916 0.0137 -0.0276 0.0464 114 PHE H CB 1912 C CG . PHE A 111 ? 0.1953 0.1567 0.1957 -0.0004 -0.0288 0.0465 114 PHE H CG 1913 C CD1 . PHE A 111 ? 0.1931 0.1598 0.2003 0.0097 -0.0282 0.0484 114 PHE H CD1 1914 C CD2 . PHE A 111 ? 0.2076 0.1760 0.2124 0.0047 -0.0422 0.0369 114 PHE H CD2 1915 C CE1 . PHE A 111 ? 0.2132 0.1638 0.2077 0.0012 0.0024 0.0478 114 PHE H CE1 1916 C CE2 . PHE A 111 ? 0.2233 0.1813 0.2174 0.0111 -0.0213 0.0408 114 PHE H CE2 1917 C CZ . PHE A 111 ? 0.2058 0.1697 0.1994 0.0037 -0.0165 0.0714 114 PHE H CZ 1927 N N . SER A 112 ? 0.1932 0.1275 0.1381 0.0427 -0.0327 0.0393 115 SER H N 1928 C CA . SER A 112 ? 0.1937 0.1158 0.1346 0.0466 -0.0346 0.0217 115 SER H CA 1929 C C . SER A 112 ? 0.1876 0.1124 0.1202 0.0539 -0.0429 0.0125 115 SER H C 1930 O O . SER A 112 ? 0.1867 0.1176 0.1205 0.0503 -0.0417 0.0144 115 SER H O 1931 C CB . SER A 112 ? 0.2179 0.1353 0.1171 0.0422 -0.0224 0.0247 115 SER H CB 1932 O OG . SER A 112 ? 0.2280 0.1251 0.1135 0.0535 -0.0258 0.0199 115 SER H OG 1938 N N . ASP A 113 ? 0.1967 0.1209 0.1019 0.0586 -0.0448 0.0123 116 ASP H N 1939 C CA . ASP A 113 ? 0.1841 0.1302 0.1115 0.0614 -0.0433 0.0060 116 ASP H CA 1940 C C . ASP A 113 ? 0.1704 0.1109 0.1131 0.0537 -0.0531 0.0041 116 ASP H C 1941 O O . ASP A 113 ? 0.1894 0.1194 0.1126 0.0437 -0.0324 0.0013 116 ASP H O 1942 C CB . ASP A 113 ? 0.1873 0.1386 0.1416 0.0700 -0.0458 -0.0043 116 ASP H CB 1943 C CG . ASP A 113 ? 0.2244 0.1759 0.1664 0.0799 -0.0666 -0.0046 116 ASP H CG 1944 O OD1 . ASP A 113 ? 0.2620 0.1542 0.1842 0.0873 -0.0641 -0.0113 116 ASP H OD1 1945 O OD2 . ASP A 113 ? 0.2307 0.1991 0.2201 0.0904 -0.0791 0.0106 116 ASP H OD2 1950 N N . TYR A 114 ? 0.1747 0.1143 0.0988 0.0574 -0.0373 -0.0064 117 TYR H N 1951 C CA . TYR A 114 ? 0.1719 0.1116 0.0973 0.0489 -0.0389 -0.0068 117 TYR H CA 1952 C C . TYR A 114 ? 0.1752 0.1116 0.0829 0.0398 -0.0410 -0.0030 117 TYR H C 1953 O O . TYR A 114 ? 0.1788 0.1019 0.1017 0.0465 -0.0429 0.0115 117 TYR H O 1954 C CB . TYR A 114 ? 0.1918 0.1257 0.1060 0.0517 -0.0465 -0.0128 117 TYR H CB 1955 C CG . TYR A 114 ? 0.2194 0.1333 0.1064 0.0602 -0.0640 -0.0170 117 TYR H CG 1956 C CD1 . TYR A 114 ? 0.2118 0.1408 0.1285 0.0564 -0.0791 -0.0220 117 TYR H CD1 1957 C CD2 . TYR A 114 ? 0.2451 0.1554 0.1138 0.0649 -0.0733 -0.0123 117 TYR H CD2 1958 C CE1 . TYR A 114 ? 0.2255 0.1632 0.1370 0.0561 -0.0885 -0.0272 117 TYR H CE1 1959 C CE2 . TYR A 114 ? 0.2525 0.1479 0.1229 0.0583 -0.0852 -0.0195 117 TYR H CE2 1960 C CZ . TYR A 114 ? 0.2317 0.1613 0.1477 0.0803 -0.0945 -0.0438 117 TYR H CZ 1961 O OH . TYR A 114 ? 0.2432 0.1916 0.1764 0.0838 -0.1085 -0.0443 117 TYR H OH 1971 N N . ILE A 115 ? 0.1713 0.0965 0.1064 0.0475 -0.0364 0.0051 118 ILE H N 1972 C CA . ILE A 115 ? 0.1712 0.1124 0.1152 0.0543 -0.0300 0.0266 118 ILE H CA 1973 C C . ILE A 115 ? 0.1702 0.1065 0.1105 0.0348 -0.0357 0.0339 118 ILE H C 1974 O O . ILE A 115 ? 0.1826 0.1103 0.1174 0.0392 -0.0356 0.0332 118 ILE H O 1975 C CB . ILE A 115 ? 0.1853 0.1256 0.1225 0.0497 -0.0243 0.0362 118 ILE H CB 1976 C CG1 . ILE A 115 ? 0.2142 0.1301 0.1103 0.0503 -0.0200 0.0155 118 ILE H CG1 1977 C CG2 . ILE A 115 ? 0.1721 0.1322 0.1488 0.0485 -0.0170 0.0419 118 ILE H CG2 1978 C CD1 . ILE A 115 ? 0.2258 0.1478 0.1276 0.0371 -0.0191 0.0059 118 ILE H CD1 1990 N N . HIS A 116 ? 0.1615 0.0922 0.1098 0.0388 -0.0317 0.0206 119 HIS H N 1991 C CA . HIS A 116 ? 0.1511 0.0888 0.1240 0.0342 -0.0252 0.0223 119 HIS H CA 1992 C C . HIS A 116 ? 0.1593 0.0855 0.1094 0.0354 -0.0281 0.0182 119 HIS H C 1993 O O . HIS A 116 ? 0.1654 0.0851 0.1095 0.0261 -0.0313 0.0187 119 HIS H O 1994 C CB . HIS A 116 ? 0.1804 0.0955 0.1325 0.0396 -0.0224 0.0117 119 HIS H CB 1995 C CG . HIS A 116 ? 0.1884 0.1131 0.1509 0.0548 -0.0364 0.0284 119 HIS H CG 1996 N ND1 . HIS A 116 ? 0.2173 0.1178 0.1611 0.0426 -0.0459 0.0181 119 HIS H ND1 1997 C CD2 . HIS A 116 ? 0.2044 0.1165 0.1591 0.0571 -0.0237 0.0151 119 HIS H CD2 1998 C CE1 . HIS A 116 ? 0.2400 0.1128 0.1633 0.0329 -0.0406 0.0111 119 HIS H CE1 1999 N NE2 . HIS A 116 ? 0.2202 0.1176 0.1728 0.0539 -0.0321 0.0107 119 HIS H NE2 2007 N N . PRO A 117 ? 0.1592 0.0873 0.1151 0.0260 -0.0264 0.0292 120 PRO H N 2008 C CA . PRO A 117 ? 0.1537 0.0923 0.1163 0.0246 -0.0286 0.0228 120 PRO H CA 2009 C C . PRO A 117 ? 0.1481 0.0687 0.1148 0.0278 -0.0306 0.0112 120 PRO H C 2010 O O . PRO A 117 ? 0.1529 0.0762 0.1205 0.0246 -0.0243 0.0169 120 PRO H O 2011 C CB . PRO A 117 ? 0.1599 0.1210 0.1331 0.0214 -0.0246 0.0470 120 PRO H CB 2012 C CG . PRO A 117 ? 0.1975 0.1345 0.1964 -0.0036 -0.0454 0.0540 120 PRO H CG 2013 C CD . PRO A 117 ? 0.1733 0.1023 0.1529 0.0186 -0.0334 0.0395 120 PRO H CD 2021 N N . VAL A 118 ? 0.1385 0.0704 0.1053 0.0300 -0.0236 0.0086 121 VAL H N 2022 C CA . VAL A 118 ? 0.1245 0.0742 0.1102 0.0220 -0.0281 0.0109 121 VAL H CA 2023 C C . VAL A 118 ? 0.1329 0.0782 0.1149 0.0080 -0.0308 0.0106 121 VAL H C 2024 O O . VAL A 118 ? 0.1469 0.1223 0.1298 -0.0120 -0.0258 -0.0004 121 VAL H O 2025 C CB . VAL A 118 ? 0.1284 0.0682 0.1096 0.0197 -0.0337 0.0127 121 VAL H CB 2026 C CG1 . VAL A 118 ? 0.1492 0.0779 0.1198 0.0308 -0.0087 0.0247 121 VAL H CG1 2027 C CG2 . VAL A 118 ? 0.1237 0.0635 0.1204 0.0114 -0.0345 0.0108 121 VAL H CG2 2037 N N . CYS A 119 ? 0.1306 0.0651 0.1227 0.0094 -0.0351 0.0061 122 CYS H N 2038 C CA . CYS A 119 ? 0.1238 0.0586 0.1308 0.0083 -0.0446 0.0034 122 CYS H CA 2039 C C . CYS A 119 ? 0.1253 0.0661 0.1290 0.0047 -0.0418 0.0047 122 CYS H C 2040 O O . CYS A 119 ? 0.1397 0.0621 0.1366 0.0100 -0.0320 0.0098 122 CYS H O 2041 C CB . CYS A 119 ? 0.1461 0.0615 0.1375 0.0117 -0.0588 -0.0098 122 CYS H CB 2042 S SG . CYS A 119 ? 0.1586 0.0690 0.1718 0.0172 -0.0538 0.0009 122 CYS H SG 2047 N N . LEU A 120 ? 0.1355 0.0721 0.1670 0.0038 -0.0498 0.0098 123 LEU H N 2048 C CA . LEU A 120 ? 0.1395 0.0993 0.1780 0.0265 -0.0625 -0.0116 123 LEU H CA 2049 C C . LEU A 120 ? 0.1424 0.0779 0.1803 0.0114 -0.0488 -0.0062 123 LEU H C 2050 O O . LEU A 120 ? 0.1638 0.0836 0.1786 0.0129 -0.0332 -0.0093 123 LEU H O 2051 C CB . LEU A 120 ? 0.1966 0.1815 0.1692 0.0840 -0.0575 -0.0128 123 LEU H CB 2052 C CG . LEU A 120 ? 0.2819 0.2218 0.1654 0.1243 -0.0257 -0.0034 123 LEU H CG 2053 C CD1 . LEU A 120 ? 0.2920 0.3253 0.1891 0.1449 -0.0048 -0.0066 123 LEU H CD1 2054 C CD2 . LEU A 120 ? 0.3716 0.1706 0.1813 0.1098 -0.0093 -0.0025 123 LEU H CD2 2066 N N . PRO A 121 ? 0.1633 0.0830 0.1847 0.0083 -0.0715 -0.0071 124 PRO H N 2067 C CA . PRO A 121 ? 0.1833 0.1189 0.1746 -0.0209 -0.0763 -0.0142 124 PRO H CA 2068 C C . PRO A 121 ? 0.1628 0.1298 0.2041 -0.0086 -0.0553 -0.0307 124 PRO H C 2069 O O . PRO A 121 ? 0.1569 0.1474 0.2540 -0.0001 -0.0669 -0.0591 124 PRO H O 2070 C CB . PRO A 121 ? 0.2499 0.1272 0.1733 -0.0410 -0.0838 0.0107 124 PRO H CB 2071 C CG . PRO A 121 ? 0.2701 0.1088 0.1944 -0.0236 -0.1124 0.0262 124 PRO H CG 2072 C CD . PRO A 121 ? 0.2286 0.0822 0.1871 0.0015 -0.0920 0.0030 124 PRO H CD 2080 N N . ASP A 122 ? 0.1890 0.1422 0.2174 -0.0287 -0.0304 -0.0493 125 ASP H N 2081 C CA . ASP A 122 ? 0.2139 0.1417 0.2584 -0.0388 -0.0217 -0.0569 125 ASP H CA 2082 C C . ASP A 122 ? 0.2061 0.1362 0.2311 -0.0283 -0.0430 -0.0752 125 ASP H C 2083 O O . ASP A 122 ? 0.2000 0.1490 0.1945 -0.0172 -0.0454 -0.0709 125 ASP H O 2084 C CB . ASP A 122 ? 0.2449 0.1426 0.2947 -0.0385 -0.0209 -0.0463 125 ASP H CB 2085 C CG . ASP A 122 ? 0.2567 0.1587 0.3034 -0.0143 -0.0423 -0.0676 125 ASP H CG 2086 O OD1 . ASP A 122 ? 0.2552 0.1619 0.3222 0.0106 -0.0281 -0.0514 125 ASP H OD1 2087 O OD2 . ASP A 122 ? 0.2790 0.1761 0.3244 -0.0184 -0.0439 -0.0621 125 ASP H OD2 2092 N N . ARG A 123 ? 0.1965 0.1560 0.2373 -0.0091 -0.0637 -0.0917 126 ARG H N 2093 C CA . ARG A 123 ? 0.2013 0.1772 0.2498 0.0094 -0.0764 -0.1040 126 ARG H CA 2094 C C . ARG A 123 ? 0.2009 0.1719 0.2093 0.0360 -0.0891 -0.0875 126 ARG H C 2095 O O . ARG A 123 ? 0.2175 0.1879 0.1987 0.0278 -0.0744 -0.0816 126 ARG H O 2096 C CB . ARG A 123 ? 0.2055 0.2182 0.2855 0.0102 -0.0920 -0.1177 126 ARG H CB 2097 C CG . ARG A 123 ? 0.2305 0.2757 0.3147 0.0209 -0.1130 -0.1330 126 ARG H CG 2098 C CD . ARG A 123 ? 0.2681 0.3432 0.3754 0.0245 -0.1138 -0.1644 126 ARG H CD 2099 N NE . ARG A 123 ? 0.3133 0.3978 0.4436 0.0044 -0.1253 -0.1589 126 ARG H NE 2100 C CZ . ARG A 123 ? 0.3420 0.4448 0.4885 -0.0063 -0.1166 -0.1295 126 ARG H CZ 2101 N NH1 . ARG A 123 ? 0.3602 0.4508 0.4995 -0.0092 -0.1147 -0.1159 126 ARG H NH1 2102 N NH2 . ARG A 123 ? 0.3528 0.4736 0.5154 -0.0099 -0.1086 -0.1193 126 ARG H NH2 2116 N N . GLU A 124 ? 0.2027 0.1808 0.2273 0.0398 -0.0880 -0.0990 127 GLU H N 2117 C CA . GLU A 124 ? 0.2193 0.1942 0.2404 0.0430 -0.0784 -0.1125 127 GLU H CA 2118 C C . GLU A 124 ? 0.2211 0.1673 0.2069 0.0445 -0.0882 -0.0687 127 GLU H C 2119 O O . GLU A 124 ? 0.2346 0.1658 0.1846 0.0499 -0.0914 -0.0681 127 GLU H O 2120 C CB . GLU A 124 ? 0.2417 0.2311 0.3199 0.0280 -0.0670 -0.1441 127 GLU H CB 2121 C CG . GLU A 124 ? 0.2744 0.2679 0.3449 0.0186 -0.0645 -0.1723 127 GLU H CG 2122 C CD . GLU A 124 ? 0.3129 0.3038 0.3796 0.0260 -0.1011 -0.1809 127 GLU H CD 2123 O OE1 . GLU A 124 ? 0.3254 0.2922 0.4074 0.0142 -0.0944 -0.1461 127 GLU H OE1 2124 O OE2 . GLU A 124 ? 0.3513 0.3574 0.4109 0.0410 -0.1043 -0.2115 127 GLU H OE2 2131 N N . THR A 125 ? 0.2075 0.1504 0.1990 0.0027 -0.0828 -0.0482 128 THR H N 2132 C CA . THR A 125 ? 0.2210 0.1390 0.1756 0.0075 -0.0721 -0.0188 128 THR H CA 2133 C C . THR A 125 ? 0.1976 0.1465 0.1487 0.0076 -0.0715 -0.0332 128 THR H C 2134 O O . THR A 125 ? 0.2071 0.1438 0.1436 -0.0044 -0.0671 -0.0152 128 THR H O 2135 C CB . THR A 125 ? 0.2480 0.1299 0.1970 0.0119 -0.0756 -0.0220 128 THR H CB 2136 O OG1 . THR A 125 ? 0.2319 0.1257 0.2185 0.0189 -0.0777 -0.0007 128 THR H OG1 2137 C CG2 . THR A 125 ? 0.2690 0.1421 0.2017 -0.0241 -0.0920 0.0015 128 THR H CG2 2145 N N . ALA A 126 ? 0.1951 0.1382 0.1474 0.0069 -0.0438 -0.0485 129 ALA H N 2146 C CA . ALA A 126 ? 0.2045 0.1453 0.1687 0.0270 -0.0408 -0.0484 129 ALA H CA 2147 C C . ALA A 126 ? 0.2020 0.1292 0.1871 0.0390 -0.0590 -0.0396 129 ALA H C 2148 O O . ALA A 126 ? 0.2152 0.1291 0.2120 0.0308 -0.0297 -0.0406 129 ALA H O 2149 C CB . ALA A 126 ? 0.2144 0.1634 0.2245 0.0234 -0.0352 -0.0530 129 ALA H CB 2155 N N . ALA A 127 A 0.2035 0.1563 0.1885 0.0417 -0.0742 -0.0555 129 ALA H N 2156 C CA . ALA A 127 A 0.2179 0.1860 0.1814 0.0530 -0.0852 -0.0320 129 ALA H CA 2157 C C . ALA A 127 A 0.2420 0.1874 0.1414 0.0406 -0.0744 -0.0145 129 ALA H C 2158 O O . ALA A 127 A 0.2723 0.2250 0.1718 0.0348 -0.0589 0.0170 129 ALA H O 2159 C CB . ALA A 127 A 0.2302 0.2232 0.1926 0.0266 -0.0902 -0.0354 129 ALA H CB 2165 N N . SER A 128 B 0.2337 0.1602 0.1232 0.0498 -0.0525 -0.0326 129 SER H N 2166 C CA . SER A 128 B 0.2393 0.1696 0.1509 0.0601 -0.0395 -0.0469 129 SER H CA 2167 C C . SER A 128 B 0.2197 0.1532 0.1502 0.0456 -0.0469 -0.0345 129 SER H C 2168 O O . SER A 128 B 0.2385 0.2265 0.1798 0.0219 -0.0166 -0.0412 129 SER H O 2169 C CB . SER A 128 B 0.2549 0.1874 0.2103 0.0759 -0.0269 -0.0533 129 SER H CB 2170 O OG . SER A 128 B 0.2907 0.2135 0.2732 0.0942 -0.0173 -0.0318 129 SER H OG 2176 N N . LEU A 129 C 0.1941 0.1168 0.1424 0.0476 -0.0553 -0.0373 129 LEU H N 2177 C CA . LEU A 129 C 0.1878 0.1174 0.1568 0.0507 -0.0638 -0.0166 129 LEU H CA 2178 C C . LEU A 129 C 0.1798 0.1191 0.1399 0.0524 -0.0553 -0.0216 129 LEU H C 2179 O O . LEU A 129 C 0.1797 0.1185 0.1282 0.0453 -0.0514 -0.0132 129 LEU H O 2180 C CB . LEU A 129 C 0.2145 0.1071 0.1966 0.0413 -0.0941 0.0022 129 LEU H CB 2181 C CG . LEU A 129 C 0.2491 0.1355 0.2466 0.0324 -0.1134 0.0238 129 LEU H CG 2182 C CD1 . LEU A 129 C 0.2793 0.1449 0.2651 0.0087 -0.1232 0.0536 129 LEU H CD1 2183 C CD2 . LEU A 129 C 0.2629 0.1763 0.2897 0.0639 -0.1046 0.0367 129 LEU H CD2 2195 N N . LEU A 130 ? 0.1862 0.1061 0.1599 0.0370 -0.0469 -0.0298 130 LEU H N 2196 C CA A LEU A 130 ? 0.1865 0.1167 0.1806 0.0515 -0.0476 -0.0128 130 LEU H CA 2197 C CA B LEU A 130 ? 0.1947 0.0971 0.1849 0.0525 -0.0484 -0.0331 130 LEU H CA 2198 C C . LEU A 130 ? 0.1937 0.1147 0.1839 0.0562 -0.0631 -0.0064 130 LEU H C 2199 O O . LEU A 130 ? 0.1846 0.1579 0.2535 0.0617 -0.0726 0.0216 130 LEU H O 2200 C CB A LEU A 130 ? 0.1831 0.1442 0.1749 0.0484 -0.0371 0.0083 130 LEU H CB 2201 C CB B LEU A 130 ? 0.2105 0.0919 0.2023 0.0504 -0.0285 -0.0401 130 LEU H CB 2202 C CG A LEU A 130 ? 0.1795 0.1507 0.1487 0.0412 -0.0360 0.0302 130 LEU H CG 2203 C CG B LEU A 130 ? 0.2257 0.0867 0.1950 0.0362 -0.0175 -0.0035 130 LEU H CG 2204 C CD1 A LEU A 130 ? 0.1786 0.1600 0.1521 0.0519 -0.0232 0.0254 130 LEU H CD1 2205 C CD1 B LEU A 130 ? 0.2233 0.0797 0.2107 0.0394 -0.0071 0.0265 130 LEU H CD1 2206 C CD2 A LEU A 130 ? 0.1847 0.1645 0.1389 0.0173 -0.0248 0.0638 130 LEU H CD2 2207 C CD2 B LEU A 130 ? 0.2414 0.1021 0.1780 0.0444 -0.0082 -0.0148 130 LEU H CD2 2230 N N . GLN A 131 ? 0.1863 0.1255 0.1629 0.0408 -0.0628 -0.0017 131 GLN H N 2231 C CA . GLN A 131 ? 0.2109 0.1300 0.1388 0.0301 -0.0599 0.0037 131 GLN H CA 2232 C C . GLN A 131 ? 0.2129 0.1207 0.1226 0.0386 -0.0421 0.0025 131 GLN H C 2233 O O . GLN A 131 ? 0.1946 0.1146 0.1231 0.0462 -0.0464 0.0040 131 GLN H O 2234 C CB . GLN A 131 ? 0.2601 0.1371 0.1412 0.0211 -0.0511 -0.0247 131 GLN H CB 2235 C CG . GLN A 131 ? 0.3385 0.1695 0.1748 0.0165 -0.0556 -0.0325 131 GLN H CG 2236 C CD . GLN A 131 ? 0.4135 0.1980 0.1867 0.0246 -0.0445 -0.0134 131 GLN H CD 2237 O OE1 . GLN A 131 ? 0.4798 0.2262 0.1972 0.0339 -0.0180 -0.0167 131 GLN H OE1 2238 N NE2 . GLN A 131 ? 0.4185 0.2127 0.2107 0.0496 -0.0407 -0.0173 131 GLN H NE2 2247 N N . ALA A 132 ? 0.2208 0.1243 0.1352 0.0353 -0.0510 0.0137 132 ALA H N 2248 C CA . ALA A 132 ? 0.2281 0.1174 0.1321 0.0470 -0.0397 0.0157 132 ALA H CA 2249 C C . ALA A 132 ? 0.2059 0.1223 0.1120 0.0531 -0.0219 0.0130 132 ALA H C 2250 O O . ALA A 132 ? 0.2283 0.1386 0.1313 0.0541 -0.0150 0.0000 132 ALA H O 2251 C CB . ALA A 132 ? 0.2520 0.1282 0.1608 0.0497 -0.0618 0.0238 132 ALA H CB 2257 N N . GLY A 133 ? 0.1987 0.1073 0.1210 0.0416 -0.0150 0.0260 133 GLY H N 2258 C CA . GLY A 133 ? 0.1856 0.1099 0.1407 0.0222 -0.0184 0.0205 133 GLY H CA 2259 C C . GLY A 133 ? 0.1701 0.1065 0.1294 0.0299 -0.0121 0.0207 133 GLY H C 2260 O O . GLY A 133 ? 0.1685 0.1114 0.1586 0.0193 -0.0317 0.0244 133 GLY H O 2264 N N . TYR A 134 ? 0.1698 0.0948 0.1219 0.0175 -0.0210 0.0180 134 TYR H N 2265 C CA . TYR A 134 ? 0.1604 0.0881 0.1142 0.0272 -0.0222 0.0095 134 TYR H CA 2266 C C . TYR A 134 ? 0.1481 0.0646 0.1257 0.0287 -0.0268 0.0186 134 TYR H C 2267 O O . TYR A 134 ? 0.1573 0.0769 0.1291 0.0358 -0.0318 0.0036 134 TYR H O 2268 C CB . TYR A 134 ? 0.1539 0.0910 0.1165 0.0188 -0.0252 0.0029 134 TYR H CB 2269 C CG . TYR A 134 ? 0.1752 0.1058 0.1389 0.0313 -0.0341 -0.0183 134 TYR H CG 2270 C CD1 . TYR A 134 ? 0.2069 0.1609 0.1462 0.0280 -0.0160 -0.0263 134 TYR H CD1 2271 C CD2 . TYR A 134 ? 0.1911 0.1130 0.1932 0.0276 -0.0017 -0.0460 134 TYR H CD2 2272 C CE1 . TYR A 134 ? 0.2153 0.1911 0.1606 -0.0010 -0.0046 -0.0597 134 TYR H CE1 2273 C CE2 . TYR A 134 ? 0.2198 0.1392 0.2169 0.0020 0.0033 -0.0675 134 TYR H CE2 2274 C CZ . TYR A 134 ? 0.2280 0.1870 0.2114 0.0091 0.0033 -0.0936 134 TYR H CZ 2275 O OH . TYR A 134 ? 0.2856 0.2209 0.2505 0.0036 0.0217 -0.1295 134 TYR H OH 2285 N N . LYS A 135 ? 0.1411 0.0712 0.1179 0.0331 -0.0236 0.0075 135 LYS H N 2286 C CA . LYS A 135 ? 0.1403 0.0709 0.1186 0.0272 -0.0315 -0.0006 135 LYS H CA 2287 C C . LYS A 135 ? 0.1480 0.0627 0.1137 0.0178 -0.0374 -0.0002 135 LYS H C 2288 O O . LYS A 135 ? 0.1628 0.0688 0.1286 0.0223 -0.0242 0.0003 135 LYS H O 2289 C CB . LYS A 135 ? 0.1591 0.0722 0.1256 0.0192 -0.0201 0.0115 135 LYS H CB 2290 C CG . LYS A 135 ? 0.1492 0.0884 0.1377 0.0179 -0.0201 0.0103 135 LYS H CG 2291 C CD . LYS A 135 ? 0.1488 0.0968 0.1514 0.0112 -0.0131 0.0209 135 LYS H CD 2292 C CE . LYS A 135 ? 0.1638 0.1186 0.1719 0.0129 -0.0110 0.0281 135 LYS H CE 2293 N NZ . LYS A 135 ? 0.1613 0.1159 0.1900 -0.0083 -0.0043 0.0280 135 LYS H NZ 2307 N N . GLY A 136 ? 0.1441 0.0575 0.1139 0.0119 -0.0385 0.0047 136 GLY H N 2308 C CA . GLY A 136 ? 0.1355 0.0613 0.1077 0.0114 -0.0310 0.0075 136 GLY H CA 2309 C C . GLY A 136 ? 0.1277 0.0558 0.1214 0.0114 -0.0362 0.0063 136 GLY H C 2310 O O . GLY A 136 ? 0.1604 0.0800 0.1385 -0.0216 -0.0478 0.0197 136 GLY H O 2314 N N . ARG A 137 ? 0.1225 0.0666 0.1217 -0.0027 -0.0261 0.0007 137 ARG H N 2315 C CA . ARG A 137 ? 0.1247 0.0637 0.1162 0.0051 -0.0343 -0.0158 137 ARG H CA 2316 C C . ARG A 137 ? 0.1178 0.0525 0.1184 0.0058 -0.0499 -0.0075 137 ARG H C 2317 O O . ARG A 137 ? 0.1208 0.0559 0.1209 0.0130 -0.0384 -0.0150 137 ARG H O 2318 C CB . ARG A 137 ? 0.1196 0.0677 0.1304 0.0190 -0.0238 -0.0033 137 ARG H CB 2319 C CG . ARG A 137 ? 0.1162 0.0766 0.1169 0.0278 -0.0347 -0.0034 137 ARG H CG 2320 C CD . ARG A 137 ? 0.1324 0.0807 0.1347 0.0225 -0.0379 -0.0006 137 ARG H CD 2321 N NE . ARG A 137 ? 0.1283 0.0765 0.1335 0.0313 -0.0329 -0.0015 137 ARG H NE 2322 C CZ . ARG A 137 ? 0.1312 0.0851 0.1244 0.0167 -0.0386 -0.0088 137 ARG H CZ 2323 N NH1 . ARG A 137 ? 0.1352 0.0842 0.1229 0.0244 -0.0362 -0.0054 137 ARG H NH1 2324 N NH2 . ARG A 137 ? 0.1382 0.0993 0.1256 0.0364 -0.0306 0.0023 137 ARG H NH2 2338 N N . VAL A 138 ? 0.1147 0.0524 0.1182 0.0083 -0.0364 0.0002 138 VAL H N 2339 C CA . VAL A 138 ? 0.1222 0.0603 0.1212 0.0186 -0.0456 -0.0104 138 VAL H CA 2340 C C . VAL A 138 ? 0.1316 0.0720 0.1286 0.0132 -0.0472 -0.0092 138 VAL H C 2341 O O . VAL A 138 ? 0.1391 0.0974 0.1247 0.0041 -0.0495 -0.0152 138 VAL H O 2342 C CB . VAL A 138 ? 0.1589 0.0690 0.1489 0.0303 -0.0591 -0.0097 138 VAL H CB 2343 C CG1 . VAL A 138 ? 0.1689 0.0881 0.1737 0.0496 -0.0651 -0.0224 138 VAL H CG1 2344 C CG2 . VAL A 138 ? 0.1971 0.0908 0.1820 0.0299 -0.0851 0.0066 138 VAL H CG2 2354 N N . THR A 139 ? 0.1358 0.0813 0.1165 0.0065 -0.0553 -0.0117 139 THR H N 2355 C CA . THR A 139 ? 0.1471 0.0719 0.1169 0.0167 -0.0586 -0.0217 139 THR H CA 2356 C C . THR A 139 ? 0.1548 0.0796 0.1152 0.0199 -0.0670 -0.0159 139 THR H C 2357 O O . THR A 139 ? 0.1552 0.0917 0.1226 0.0268 -0.0588 -0.0299 139 THR H O 2358 C CB . THR A 139 ? 0.1670 0.0803 0.1338 0.0009 -0.0426 -0.0196 139 THR H CB 2359 O OG1 . THR A 139 ? 0.1634 0.0886 0.1400 0.0036 -0.0314 -0.0196 139 THR H OG1 2360 C CG2 . THR A 139 ? 0.1733 0.0887 0.1578 0.0132 -0.0339 -0.0151 139 THR H CG2 2368 N N . GLY A 140 ? 0.1581 0.0726 0.1222 0.0219 -0.0722 -0.0234 140 GLY H N 2369 C CA . GLY A 140 ? 0.1601 0.0712 0.1254 0.0257 -0.0675 -0.0161 140 GLY H CA 2370 C C . GLY A 140 ? 0.1691 0.0787 0.1249 0.0283 -0.0708 -0.0174 140 GLY H C 2371 O O . GLY A 140 ? 0.1739 0.0879 0.1415 0.0263 -0.0799 -0.0230 140 GLY H O 2375 N N . TRP A 141 ? 0.1794 0.0877 0.1244 0.0364 -0.0705 -0.0317 141 TRP H N 2376 C CA . TRP A 141 ? 0.1957 0.0969 0.1326 0.0355 -0.0843 -0.0374 141 TRP H CA 2377 C C . TRP A 141 ? 0.2139 0.0964 0.1573 0.0415 -0.0839 -0.0427 141 TRP H C 2378 O O . TRP A 141 ? 0.2351 0.1021 0.1660 0.0505 -0.0829 -0.0453 141 TRP H O 2379 C CB . TRP A 141 ? 0.2118 0.1085 0.1311 0.0461 -0.0809 -0.0318 141 TRP H CB 2380 C CG . TRP A 141 ? 0.2117 0.1109 0.1146 0.0547 -0.0790 -0.0329 141 TRP H CG 2381 C CD1 . TRP A 141 ? 0.2378 0.1208 0.1291 0.0522 -0.0888 -0.0238 141 TRP H CD1 2382 C CD2 . TRP A 141 ? 0.2319 0.1237 0.1200 0.0491 -0.0588 -0.0354 141 TRP H CD2 2383 N NE1 . TRP A 141 ? 0.2603 0.1226 0.1331 0.0617 -0.0811 -0.0207 141 TRP H NE1 2384 C CE2 . TRP A 141 ? 0.2638 0.1116 0.1148 0.0473 -0.0526 -0.0275 141 TRP H CE2 2385 C CE3 . TRP A 141 ? 0.2671 0.1404 0.1307 0.0167 -0.0487 -0.0576 141 TRP H CE3 2386 C CZ2 . TRP A 141 ? 0.3161 0.1238 0.1140 0.0118 -0.0374 -0.0128 141 TRP H CZ2 2387 C CZ3 . TRP A 141 ? 0.3099 0.1599 0.1363 -0.0150 -0.0220 -0.0516 141 TRP H CZ3 2388 C CH2 . TRP A 141 ? 0.3385 0.1426 0.1358 -0.0179 -0.0184 -0.0483 141 TRP H CH2 2399 N N . GLY A 142 ? 0.1922 0.0844 0.1755 0.0239 -0.0927 -0.0276 142 GLY H N 2400 C CA . GLY A 142 ? 0.2090 0.0909 0.1931 0.0334 -0.1047 -0.0176 142 GLY H CA 2401 C C . GLY A 142 ? 0.2380 0.1083 0.1870 0.0406 -0.1091 -0.0262 142 GLY H C 2402 O O . GLY A 142 ? 0.2390 0.1068 0.1915 0.0376 -0.1154 -0.0416 142 GLY H O 2406 N N . ASN A 143 ? 0.2499 0.0944 0.1972 0.0276 -0.1163 -0.0274 143 ASN H N 2407 C CA . ASN A 143 ? 0.2727 0.1036 0.2233 0.0113 -0.1067 -0.0361 143 ASN H CA 2408 C C . ASN A 143 ? 0.2446 0.0945 0.2268 0.0116 -0.1210 -0.0219 143 ASN H C 2409 O O . ASN A 143 ? 0.2382 0.0911 0.2067 0.0177 -0.1208 -0.0214 143 ASN H O 2410 C CB . ASN A 143 ? 0.3272 0.1170 0.2987 0.0134 -0.0801 -0.0498 143 ASN H CB 2411 C CG . ASN A 143 ? 0.3982 0.1528 0.3420 0.0137 -0.0552 -0.0907 143 ASN H CG 2412 O OD1 . ASN A 143 ? 0.4516 0.2005 0.3552 -0.0072 -0.0038 -0.1343 143 ASN H OD1 2413 N ND2 . ASN A 143 ? 0.4251 0.2064 0.4176 0.0277 -0.0444 -0.0893 143 ASN H ND2 2420 N N . LEU A 144 ? 0.2584 0.1080 0.2376 -0.0051 -0.1195 -0.0268 144 LEU H N 2421 C CA . LEU A 144 ? 0.2669 0.1225 0.2549 -0.0154 -0.1362 -0.0187 144 LEU H CA 2422 C C . LEU A 144 ? 0.2719 0.1227 0.2861 -0.0240 -0.1447 -0.0040 144 LEU H C 2423 O O . LEU A 144 ? 0.2895 0.1452 0.3038 -0.0323 -0.1426 0.0058 144 LEU H O 2424 C CB . LEU A 144 ? 0.2809 0.1267 0.2573 -0.0112 -0.1467 -0.0106 144 LEU H CB 2425 C CG . LEU A 144 ? 0.2835 0.1486 0.2649 -0.0039 -0.1568 -0.0213 144 LEU H CG 2426 C CD1 . LEU A 144 ? 0.2822 0.1762 0.3039 -0.0032 -0.1615 -0.0216 144 LEU H CD1 2427 C CD2 . LEU A 144 ? 0.3092 0.1486 0.2468 -0.0003 -0.1471 -0.0323 144 LEU H CD2 2439 N N . LYS A 145 ? 0.2921 0.1162 0.3191 -0.0246 -0.1403 0.0120 145 LYS H N 2440 C CA . LYS A 145 ? 0.3284 0.1285 0.3525 -0.0231 -0.1304 0.0396 145 LYS H CA 2441 C C . LYS A 145 ? 0.3238 0.1152 0.3034 -0.0069 -0.1405 -0.0021 145 LYS H C 2442 O O . LYS A 145 ? 0.3476 0.1225 0.2941 0.0063 -0.1355 -0.0299 145 LYS H O 2443 C CB . LYS A 145 ? 0.3746 0.1671 0.4282 -0.0436 -0.1078 0.0626 145 LYS H CB 2444 C CG . LYS A 145 ? 0.4174 0.2104 0.4572 -0.0600 -0.0898 0.0631 145 LYS H CG 2445 C CD . LYS A 145 ? 0.4389 0.2287 0.4518 -0.0714 -0.0802 0.0598 145 LYS H CD 2452 N N . GLU A 146 ? 0.3222 0.1152 0.2964 -0.0119 -0.1431 -0.0021 146 GLU H N 2453 C CA . GLU A 146 ? 0.3524 0.1285 0.3005 0.0272 -0.1579 -0.0258 146 GLU H CA 2454 C C . GLU A 146 ? 0.4335 0.1767 0.3366 0.0514 -0.1637 -0.0350 146 GLU H C 2455 O O . GLU A 146 ? 0.4723 0.2327 0.3411 0.0802 -0.1335 -0.0577 146 GLU H O 2456 C CB . GLU A 146 ? 0.3413 0.1207 0.2867 0.0279 -0.1456 -0.0254 146 GLU H CB 2457 C CG . GLU A 146 ? 0.3522 0.1285 0.2919 0.0415 -0.1482 -0.0288 146 GLU H CG 2458 C CD . GLU A 146 ? 0.3633 0.1189 0.2907 0.0365 -0.1168 -0.0139 146 GLU H CD 2459 O OE1 . GLU A 146 ? 0.3214 0.1033 0.2702 0.0105 -0.1110 -0.0096 146 GLU H OE1 2460 O OE2 . GLU A 146 ? 0.4330 0.1424 0.3380 0.0689 -0.0913 -0.0182 146 GLU H OE2 2467 N N . THR A 147 ? 0.4704 0.1650 0.3732 0.0394 -0.1656 -0.0540 147 THR H N 2468 C CA . THR A 147 ? 0.5430 0.2046 0.4325 0.0475 -0.1378 -0.0957 147 THR H CA 2469 C C . THR A 147 ? 0.5920 0.2878 0.4625 0.0383 -0.1264 -0.1253 147 THR H C 2470 O O . THR A 147 ? 0.6020 0.3140 0.4886 0.0358 -0.1330 -0.1238 147 THR H O 2471 C CB . THR A 147 ? 0.5445 0.1960 0.4596 0.0382 -0.1095 -0.1043 147 THR H CB 2474 N N . GLY A 155 ? 0.4571 0.2852 0.4331 0.0078 -0.1748 -0.0449 150 GLY H N 2475 C CA . GLY A 155 ? 0.4287 0.2332 0.4098 0.0198 -0.1847 -0.0694 150 GLY H CA 2476 C C . GLY A 155 ? 0.4049 0.2045 0.3709 0.0343 -0.1795 -0.0929 150 GLY H C 2477 O O . GLY A 155 ? 0.3757 0.2097 0.3507 0.0230 -0.1654 -0.0989 150 GLY H O 2480 N N . GLN A 156 ? 0.4134 0.1938 0.3476 0.0500 -0.1753 -0.0905 151 GLN H N 2481 C CA . GLN A 156 ? 0.4189 0.1886 0.3383 0.0698 -0.1790 -0.0732 151 GLN H CA 2482 C C . GLN A 156 ? 0.3798 0.1715 0.3217 0.0491 -0.1753 -0.0704 151 GLN H C 2483 O O . GLN A 156 ? 0.3745 0.1876 0.3388 0.0194 -0.1728 -0.0767 151 GLN H O 2484 C CB . GLN A 156 ? 0.4534 0.2438 0.3607 0.0826 -0.1791 -0.0752 151 GLN H CB 2485 C CG . GLN A 156 ? 0.4949 0.2698 0.4005 0.0853 -0.1603 -0.0868 151 GLN H CG 2486 C CD . GLN A 156 ? 0.5257 0.3069 0.4072 0.0862 -0.1616 -0.0892 151 GLN H CD 2487 O OE1 . GLN A 156 ? 0.5483 0.3290 0.3970 0.1047 -0.1461 -0.0970 151 GLN H OE1 2488 N NE2 . GLN A 156 ? 0.5371 0.3130 0.4314 0.0875 -0.1534 -0.0663 151 GLN H NE2 2497 N N . PRO A 157 ? 0.3281 0.1527 0.2712 0.0566 -0.1706 -0.0560 152 PRO H N 2498 C CA . PRO A 157 ? 0.3041 0.1507 0.2431 0.0418 -0.1533 -0.0510 152 PRO H CA 2499 C C . PRO A 157 ? 0.2819 0.1715 0.2387 0.0426 -0.1402 -0.0675 152 PRO H C 2500 O O . PRO A 157 ? 0.2886 0.2037 0.2229 0.0670 -0.1387 -0.0718 152 PRO H O 2501 C CB . PRO A 157 ? 0.2948 0.1605 0.2218 0.0313 -0.1418 -0.0483 152 PRO H CB 2502 C CG . PRO A 157 ? 0.2854 0.1672 0.2250 0.0282 -0.1429 -0.0465 152 PRO H CG 2503 C CD . PRO A 157 ? 0.3079 0.1751 0.2516 0.0481 -0.1618 -0.0470 152 PRO H CD 2511 N N . SER A 158 ? 0.2635 0.1568 0.2332 0.0120 -0.1320 -0.0522 153 SER H N 2512 C CA . SER A 158 ? 0.2473 0.1663 0.2164 0.0031 -0.1285 -0.0404 153 SER H CA 2513 C C . SER A 158 ? 0.2248 0.1550 0.1739 0.0043 -0.1122 -0.0280 153 SER H C 2514 O O . SER A 158 ? 0.2513 0.1607 0.1550 0.0217 -0.1014 -0.0442 153 SER H O 2515 C CB . SER A 158 ? 0.2797 0.1683 0.2497 -0.0020 -0.1566 -0.0127 153 SER H CB 2516 O OG . SER A 158 ? 0.3181 0.2067 0.2754 -0.0036 -0.1661 -0.0005 153 SER H OG 2522 N N . VAL A 159 ? 0.2103 0.1496 0.1596 0.0075 -0.1032 -0.0299 154 VAL H N 2523 C CA . VAL A 159 ? 0.2023 0.1436 0.1565 0.0210 -0.1014 -0.0323 154 VAL H CA 2524 C C . VAL A 159 ? 0.2017 0.1235 0.1468 0.0262 -0.0991 -0.0229 154 VAL H C 2525 O O . VAL A 159 ? 0.1996 0.1199 0.1543 0.0157 -0.0970 -0.0339 154 VAL H O 2526 C CB . VAL A 159 ? 0.2142 0.1578 0.1786 0.0256 -0.1135 -0.0336 154 VAL H CB 2527 C CG1 . VAL A 159 ? 0.2333 0.1622 0.1911 0.0345 -0.1226 -0.0347 154 VAL H CG1 2528 C CG2 . VAL A 159 ? 0.2209 0.1747 0.2168 0.0265 -0.1231 -0.0189 154 VAL H CG2 2538 N N . LEU A 160 ? 0.1874 0.1099 0.1399 0.0208 -0.0939 -0.0207 155 LEU H N 2539 C CA . LEU A 160 ? 0.1727 0.1046 0.1360 0.0340 -0.0881 -0.0273 155 LEU H CA 2540 C C . LEU A 160 ? 0.1693 0.1008 0.1428 0.0172 -0.0875 -0.0297 155 LEU H C 2541 O O . LEU A 160 ? 0.1722 0.1068 0.1482 0.0239 -0.0900 -0.0162 155 LEU H O 2542 C CB . LEU A 160 ? 0.1667 0.0874 0.1310 0.0257 -0.0767 -0.0258 155 LEU H CB 2543 C CG . LEU A 160 ? 0.1680 0.0931 0.1285 0.0220 -0.0716 -0.0200 155 LEU H CG 2544 C CD1 . LEU A 160 ? 0.1697 0.0928 0.1273 0.0265 -0.0715 -0.0179 155 LEU H CD1 2545 C CD2 . LEU A 160 ? 0.1623 0.1035 0.1348 0.0281 -0.0613 -0.0197 155 LEU H CD2 2557 N N . GLN A 161 ? 0.1667 0.0852 0.1390 0.0090 -0.0866 -0.0125 156 GLN H N 2558 C CA . GLN A 161 ? 0.1662 0.0905 0.1430 0.0028 -0.0821 -0.0099 156 GLN H CA 2559 C C . GLN A 161 ? 0.1432 0.0932 0.1389 0.0075 -0.0720 -0.0009 156 GLN H C 2560 O O . GLN A 161 ? 0.1571 0.0960 0.1336 0.0104 -0.0640 -0.0138 156 GLN H O 2561 C CB . GLN A 161 ? 0.1707 0.0907 0.1594 0.0026 -0.0774 -0.0235 156 GLN H CB 2562 C CG . GLN A 161 ? 0.1873 0.0959 0.1752 -0.0044 -0.0898 -0.0279 156 GLN H CG 2563 C CD . GLN A 161 ? 0.1905 0.1001 0.1874 -0.0074 -0.0905 -0.0299 156 GLN H CD 2564 O OE1 . GLN A 161 ? 0.1963 0.1162 0.2100 -0.0236 -0.0998 -0.0044 156 GLN H OE1 2565 N NE2 . GLN A 161 ? 0.1930 0.1253 0.1918 0.0108 -0.1117 -0.0225 156 GLN H NE2 2574 N N . VAL A 162 ? 0.1330 0.0920 0.1581 -0.0077 -0.0682 -0.0151 157 VAL H N 2575 C CA A VAL A 162 ? 0.1326 0.0823 0.1502 -0.0020 -0.0620 -0.0017 157 VAL H CA 2576 C CA B VAL A 162 ? 0.1373 0.0855 0.1544 0.0006 -0.0647 -0.0082 157 VAL H CA 2577 C C . VAL A 162 ? 0.1421 0.0907 0.1532 -0.0091 -0.0549 -0.0078 157 VAL H C 2578 O O . VAL A 162 ? 0.1631 0.1076 0.1687 -0.0290 -0.0671 0.0019 157 VAL H O 2579 C CB A VAL A 162 ? 0.1556 0.0981 0.1480 -0.0008 -0.0519 0.0029 157 VAL H CB 2580 C CB B VAL A 162 ? 0.1573 0.0967 0.1575 0.0085 -0.0721 -0.0131 157 VAL H CB 2581 C CG1 A VAL A 162 ? 0.1615 0.1081 0.1603 0.0098 -0.0608 0.0009 157 VAL H CG1 2582 C CG1 B VAL A 162 ? 0.1679 0.0941 0.1502 0.0196 -0.0758 -0.0147 157 VAL H CG1 2583 C CG2 A VAL A 162 ? 0.1756 0.1077 0.1664 -0.0019 -0.0330 0.0068 157 VAL H CG2 2584 C CG2 B VAL A 162 ? 0.1648 0.1063 0.1820 0.0091 -0.0811 -0.0081 157 VAL H CG2 2603 N N . VAL A 163 ? 0.1439 0.0893 0.1389 -0.0137 -0.0540 0.0013 158 VAL H N 2604 C CA . VAL A 163 ? 0.1596 0.0907 0.1420 -0.0227 -0.0542 0.0031 158 VAL H CA 2605 C C . VAL A 163 ? 0.1307 0.0898 0.1251 -0.0138 -0.0487 0.0099 158 VAL H C 2606 O O . VAL A 163 ? 0.1324 0.1015 0.1307 -0.0120 -0.0386 -0.0080 158 VAL H O 2607 C CB . VAL A 163 ? 0.2294 0.0881 0.1660 -0.0273 -0.0771 0.0108 158 VAL H CB 2608 C CG1 . VAL A 163 ? 0.2538 0.0954 0.1568 0.0146 -0.0936 -0.0139 158 VAL H CG1 2609 C CG2 . VAL A 163 ? 0.2794 0.1136 0.1848 -0.0648 -0.0754 0.0241 158 VAL H CG2 2619 N N . ASN A 164 ? 0.1234 0.0910 0.1395 -0.0047 -0.0389 0.0127 159 ASN H N 2620 C CA . ASN A 164 ? 0.1296 0.0741 0.1402 0.0067 -0.0293 0.0210 159 ASN H CA 2621 C C . ASN A 164 ? 0.1353 0.0777 0.1437 0.0049 -0.0299 0.0177 159 ASN H C 2622 O O . ASN A 164 ? 0.1385 0.0953 0.1686 -0.0072 -0.0457 0.0325 159 ASN H O 2623 C CB . ASN A 164 ? 0.1455 0.1006 0.1576 0.0190 -0.0263 0.0217 159 ASN H CB 2624 C CG . ASN A 164 ? 0.1526 0.1233 0.1610 0.0385 -0.0148 0.0295 159 ASN H CG 2625 O OD1 . ASN A 164 ? 0.1684 0.1087 0.1444 0.0403 -0.0223 0.0237 159 ASN H OD1 2626 N ND2 . ASN A 164 ? 0.1766 0.1702 0.2142 0.0611 0.0212 0.0637 159 ASN H ND2 2633 N N . LEU A 165 ? 0.1287 0.0690 0.1288 0.0118 -0.0465 0.0117 160 LEU H N 2634 C CA . LEU A 165 ? 0.1377 0.0708 0.1302 0.0092 -0.0355 0.0083 160 LEU H CA 2635 C C . LEU A 165 ? 0.1373 0.0749 0.1318 0.0166 -0.0363 0.0232 160 LEU H C 2636 O O . LEU A 165 ? 0.1404 0.0728 0.1263 0.0107 -0.0331 0.0107 160 LEU H O 2637 C CB . LEU A 165 ? 0.1583 0.0813 0.1385 0.0193 -0.0494 0.0027 160 LEU H CB 2638 C CG . LEU A 165 ? 0.1884 0.0952 0.1574 0.0368 -0.0683 -0.0105 160 LEU H CG 2639 C CD1 . LEU A 165 ? 0.2092 0.1382 0.1644 0.0651 -0.0520 -0.0219 160 LEU H CD1 2640 C CD2 . LEU A 165 ? 0.2013 0.0852 0.1969 0.0231 -0.0815 -0.0134 160 LEU H CD2 2652 N N . PRO A 166 ? 0.1446 0.0723 0.1358 0.0083 -0.0352 0.0199 161 PRO H N 2653 C CA . PRO A 166 ? 0.1532 0.0738 0.1268 0.0185 -0.0351 0.0166 161 PRO H CA 2654 C C . PRO A 166 ? 0.1548 0.0772 0.1120 0.0263 -0.0301 0.0179 161 PRO H C 2655 O O . PRO A 166 ? 0.1532 0.0755 0.1349 0.0217 -0.0331 0.0112 161 PRO H O 2656 C CB . PRO A 166 ? 0.1508 0.1010 0.1288 0.0256 -0.0189 0.0201 161 PRO H CB 2657 C CG . PRO A 166 ? 0.1544 0.1029 0.1444 0.0044 -0.0170 0.0279 161 PRO H CG 2658 C CD . PRO A 166 ? 0.1575 0.0986 0.1462 0.0041 -0.0215 0.0225 161 PRO H CD 2666 N N . ILE A 167 ? 0.1558 0.0660 0.1114 0.0198 -0.0372 0.0110 162 ILE H N 2667 C CA . ILE A 167 ? 0.1491 0.0734 0.1044 0.0264 -0.0310 0.0127 162 ILE H CA 2668 C C . ILE A 167 ? 0.1533 0.0755 0.1120 0.0146 -0.0348 0.0084 162 ILE H C 2669 O O . ILE A 167 ? 0.1633 0.0875 0.1241 0.0275 -0.0179 0.0164 162 ILE H O 2670 C CB . ILE A 167 ? 0.1640 0.0743 0.1132 0.0137 -0.0342 0.0129 162 ILE H CB 2671 C CG1 . ILE A 167 ? 0.1648 0.0715 0.1281 0.0081 -0.0410 0.0144 162 ILE H CG1 2672 C CG2 . ILE A 167 ? 0.1699 0.0935 0.1152 0.0140 -0.0488 0.0165 162 ILE H CG2 2673 C CD1 . ILE A 167 ? 0.1899 0.0896 0.1506 0.0073 -0.0388 0.0170 162 ILE H CD1 2685 N N . VAL A 168 ? 0.1591 0.0738 0.1127 0.0267 -0.0306 0.0217 163 VAL H N 2686 C CA . VAL A 168 ? 0.1682 0.0825 0.1176 0.0231 -0.0253 0.0241 163 VAL H CA 2687 C C . VAL A 168 ? 0.1610 0.0811 0.1156 0.0241 -0.0154 0.0239 163 VAL H C 2688 O O . VAL A 168 ? 0.1710 0.0839 0.1133 0.0250 -0.0266 0.0252 163 VAL H O 2689 C CB . VAL A 168 ? 0.1869 0.0837 0.1381 0.0238 -0.0437 0.0232 163 VAL H CB 2690 C CG1 . VAL A 168 ? 0.1993 0.0788 0.1371 0.0165 -0.0505 0.0212 163 VAL H CG1 2691 C CG2 . VAL A 168 ? 0.1995 0.0932 0.1702 0.0163 -0.0420 0.0274 163 VAL H CG2 2701 N N . GLU A 169 ? 0.1767 0.1046 0.1172 0.0266 -0.0145 0.0306 164 GLU H N 2702 C CA . GLU A 169 ? 0.2040 0.1230 0.1148 0.0438 -0.0381 0.0081 164 GLU H CA 2703 C C . GLU A 169 ? 0.1972 0.0902 0.1086 0.0316 -0.0375 0.0107 164 GLU H C 2704 O O . GLU A 169 ? 0.1953 0.0798 0.1182 0.0235 -0.0377 0.0141 164 GLU H O 2705 C CB . GLU A 169 ? 0.2347 0.2232 0.1343 0.0717 -0.0464 0.0072 164 GLU H CB 2706 C CG . GLU A 169 ? 0.2663 0.2425 0.1851 0.0706 -0.0289 0.0355 164 GLU H CG 2707 C CD . GLU A 169 ? 0.2791 0.2490 0.2302 0.0521 0.0131 0.0503 164 GLU H CD 2708 O OE1 . GLU A 169 ? 0.2682 0.2043 0.2481 0.0075 0.0288 0.0314 164 GLU H OE1 2709 O OE2 . GLU A 169 ? 0.2922 0.3047 0.2701 0.0607 0.0313 0.0400 164 GLU H OE2 2716 N N . ARG A 170 ? 0.2049 0.0780 0.1164 0.0215 -0.0481 0.0076 165 ARG H N 2717 C CA . ARG A 170 ? 0.1890 0.0900 0.1153 0.0218 -0.0469 0.0016 165 ARG H CA 2718 C C . ARG A 170 ? 0.1846 0.0844 0.1178 0.0212 -0.0492 0.0152 165 ARG H C 2719 O O . ARG A 170 ? 0.1940 0.0827 0.1249 0.0223 -0.0389 0.0003 165 ARG H O 2720 C CB . ARG A 170 ? 0.1965 0.0925 0.1224 0.0131 -0.0475 -0.0023 165 ARG H CB 2721 C CG . ARG A 170 ? 0.2157 0.1183 0.1270 0.0120 -0.0388 0.0029 165 ARG H CG 2722 C CD . ARG A 170 ? 0.2223 0.1112 0.1438 0.0035 -0.0437 -0.0138 165 ARG H CD 2723 N NE . ARG A 170 ? 0.1875 0.1152 0.1314 0.0010 -0.0510 0.0006 165 ARG H NE 2724 C CZ . ARG A 170 ? 0.1817 0.1108 0.1148 0.0070 -0.0489 0.0009 165 ARG H CZ 2725 N NH1 . ARG A 170 ? 0.1876 0.1257 0.1259 0.0178 -0.0464 -0.0083 165 ARG H NH1 2726 N NH2 . ARG A 170 ? 0.1855 0.1168 0.1227 0.0152 -0.0487 -0.0031 165 ARG H NH2 2740 N N . PRO A 171 ? 0.2138 0.0873 0.1142 0.0237 -0.0473 0.0195 166 PRO H N 2741 C CA . PRO A 171 ? 0.2295 0.1020 0.1106 0.0288 -0.0500 0.0236 166 PRO H CA 2742 C C . PRO A 171 ? 0.2182 0.0885 0.1251 0.0320 -0.0268 0.0333 166 PRO H C 2743 O O . PRO A 171 ? 0.2132 0.0845 0.1491 0.0322 -0.0255 0.0386 166 PRO H O 2744 C CB . PRO A 171 ? 0.2672 0.1251 0.1195 0.0271 -0.0409 0.0361 166 PRO H CB 2745 C CG . PRO A 171 ? 0.2600 0.1299 0.1359 0.0267 -0.0377 0.0202 166 PRO H CG 2746 C CD . PRO A 171 ? 0.2310 0.1052 0.1175 0.0088 -0.0499 0.0195 166 PRO H CD 2754 N N . VAL A 172 ? 0.2131 0.0896 0.1329 0.0361 -0.0220 0.0302 167 VAL H N 2755 C CA . VAL A 172 ? 0.1988 0.0901 0.1497 0.0248 -0.0203 0.0294 167 VAL H CA 2756 C C . VAL A 172 ? 0.1865 0.0718 0.1461 0.0189 -0.0385 0.0184 167 VAL H C 2757 O O . VAL A 172 ? 0.1925 0.0729 0.1610 0.0110 -0.0356 0.0156 167 VAL H O 2758 C CB . VAL A 172 ? 0.2105 0.0947 0.1630 0.0327 -0.0167 0.0403 167 VAL H CB 2759 C CG1 . VAL A 172 ? 0.1941 0.0877 0.1833 0.0187 -0.0286 0.0362 167 VAL H CG1 2760 C CG2 . VAL A 172 ? 0.2263 0.1276 0.1805 0.0441 -0.0028 0.0517 167 VAL H CG2 2770 N N . CYS A 173 ? 0.1945 0.0699 0.1278 0.0179 -0.0380 0.0217 168 CYS H N 2771 C CA . CYS A 173 ? 0.1948 0.0766 0.1221 0.0079 -0.0332 0.0231 168 CYS H CA 2772 C C . CYS A 173 ? 0.1871 0.0609 0.1153 0.0092 -0.0303 0.0215 168 CYS H C 2773 O O . CYS A 173 ? 0.1951 0.0605 0.1343 0.0146 -0.0505 0.0079 168 CYS H O 2774 C CB . CYS A 173 ? 0.1869 0.0807 0.1246 0.0169 -0.0467 0.0253 168 CYS H CB 2775 S SG . CYS A 173 ? 0.2082 0.0695 0.1382 0.0233 -0.0415 0.0179 168 CYS H SG 2780 N N A LYS A 174 ? 0.1809 0.0668 0.1243 0.0171 -0.0346 0.0183 169 LYS H N 2781 N N B LYS A 174 ? 0.1809 0.0668 0.1243 0.0171 -0.0346 0.0183 169 LYS H N 2782 C CA A LYS A 174 ? 0.1752 0.0758 0.1483 0.0307 -0.0409 0.0237 169 LYS H CA 2783 C CA B LYS A 174 ? 0.1752 0.0758 0.1483 0.0307 -0.0409 0.0237 169 LYS H CA 2784 C C A LYS A 174 ? 0.1945 0.0775 0.1447 0.0257 -0.0391 0.0155 169 LYS H C 2785 C C B LYS A 174 ? 0.1945 0.0775 0.1447 0.0257 -0.0391 0.0155 169 LYS H C 2786 O O A LYS A 174 ? 0.1975 0.0673 0.1542 0.0269 -0.0339 0.0089 169 LYS H O 2787 O O B LYS A 174 ? 0.1975 0.0673 0.1542 0.0269 -0.0339 0.0088 169 LYS H O 2788 C CB A LYS A 174 ? 0.1857 0.0960 0.2023 0.0146 -0.0546 0.0356 169 LYS H CB 2789 C CB B LYS A 174 ? 0.1857 0.0961 0.2023 0.0146 -0.0546 0.0356 169 LYS H CB 2790 C CG A LYS A 174 ? 0.2287 0.1663 0.2416 0.0022 -0.0803 0.0065 169 LYS H CG 2791 C CG B LYS A 174 ? 0.2287 0.1663 0.2415 0.0022 -0.0803 0.0065 169 LYS H CG 2792 C CD A LYS A 174 ? 0.2617 0.2014 0.2782 0.0209 -0.1027 0.0085 169 LYS H CD 2793 C CD B LYS A 174 ? 0.2617 0.2014 0.2782 0.0209 -0.1027 0.0086 169 LYS H CD 2794 C CE A LYS A 174 ? 0.3171 0.2675 0.3270 -0.0051 -0.1237 -0.0075 169 LYS H CE 2795 C CE B LYS A 174 ? 0.3171 0.2675 0.3270 -0.0051 -0.1237 -0.0075 169 LYS H CE 2796 N NZ A LYS A 174 ? 0.3724 0.3387 0.3843 -0.0366 -0.0994 -0.0112 169 LYS H NZ 2797 N NZ B LYS A 174 ? 0.3724 0.3386 0.3842 -0.0364 -0.0994 -0.0113 169 LYS H NZ 2824 N N . ASP A 175 ? 0.1897 0.0684 0.1340 0.0225 -0.0364 0.0236 170 ASP H N 2825 C CA . ASP A 175 ? 0.1885 0.0733 0.1386 0.0227 -0.0411 0.0255 170 ASP H CA 2826 C C . ASP A 175 ? 0.1836 0.0768 0.1534 0.0202 -0.0416 0.0357 170 ASP H C 2827 O O . ASP A 175 ? 0.1908 0.0768 0.1766 0.0096 -0.0477 0.0375 170 ASP H O 2828 C CB . ASP A 175 ? 0.2228 0.0929 0.1412 0.0212 -0.0321 0.0274 170 ASP H CB 2829 C CG . ASP A 175 ? 0.2703 0.1166 0.1579 0.0213 -0.0392 0.0184 170 ASP H CG 2830 O OD1 . ASP A 175 ? 0.2795 0.1352 0.1639 0.0014 -0.0552 0.0093 170 ASP H OD1 2831 O OD2 . ASP A 175 ? 0.3225 0.1750 0.1542 0.0414 -0.0222 0.0181 170 ASP H OD2 2836 N N . SER A 176 ? 0.1844 0.0676 0.1443 0.0079 -0.0458 0.0227 171 SER H N 2837 C CA . SER A 176 ? 0.1764 0.0720 0.1529 0.0036 -0.0430 0.0161 171 SER H CA 2838 C C . SER A 176 ? 0.1736 0.0813 0.1426 0.0091 -0.0569 0.0138 171 SER H C 2839 O O . SER A 176 ? 0.1893 0.0921 0.1607 0.0051 -0.0565 0.0054 171 SER H O 2840 C CB . SER A 176 ? 0.1791 0.0753 0.1508 0.0077 -0.0552 0.0207 171 SER H CB 2841 O OG . SER A 176 ? 0.2000 0.0809 0.1504 0.0055 -0.0580 0.0245 171 SER H OG 2847 N N . THR A 177 ? 0.1734 0.0769 0.1303 0.0213 -0.0496 0.0177 172 THR H N 2848 C CA . THR A 177 ? 0.1783 0.0777 0.1410 0.0148 -0.0494 0.0215 172 THR H CA 2849 C C . THR A 177 ? 0.1825 0.0730 0.1315 0.0208 -0.0467 0.0221 172 THR H C 2850 O O . THR A 177 ? 0.1933 0.1000 0.1260 0.0291 -0.0490 0.0108 172 THR H O 2851 C CB . THR A 177 ? 0.1775 0.0822 0.1554 0.0190 -0.0574 0.0132 172 THR H CB 2852 O OG1 . THR A 177 ? 0.1955 0.0922 0.1459 0.0197 -0.0371 0.0155 172 THR H OG1 2853 C CG2 . THR A 177 ? 0.1782 0.0822 0.1636 0.0178 -0.0354 0.0277 172 THR H CG2 2861 N N . ARG A 178 ? 0.1865 0.0666 0.1381 0.0092 -0.0430 0.0118 173 ARG H N 2862 C CA . ARG A 178 ? 0.1829 0.0761 0.1472 0.0229 -0.0390 0.0191 173 ARG H CA 2863 C C . ARG A 178 ? 0.1819 0.0816 0.1617 0.0182 -0.0511 0.0228 173 ARG H C 2864 O O . ARG A 178 ? 0.1812 0.1244 0.1905 0.0274 -0.0650 0.0403 173 ARG H O 2865 C CB . ARG A 178 ? 0.2065 0.0817 0.1477 0.0237 -0.0227 0.0235 173 ARG H CB 2866 C CG . ARG A 178 ? 0.2263 0.0822 0.1511 0.0245 -0.0156 0.0330 173 ARG H CG 2867 C CD . ARG A 178 ? 0.2186 0.0954 0.1457 0.0232 -0.0106 0.0199 173 ARG H CD 2868 N NE . ARG A 178 ? 0.2280 0.0941 0.1628 0.0364 -0.0120 0.0279 173 ARG H NE 2869 C CZ . ARG A 178 ? 0.2533 0.1185 0.1763 0.0351 0.0030 0.0211 173 ARG H CZ 2870 N NH1 . ARG A 178 ? 0.2764 0.1175 0.2116 0.0331 0.0220 0.0129 173 ARG H NH1 2871 N NH2 . ARG A 178 ? 0.2748 0.1432 0.2052 0.0682 0.0014 0.0338 173 ARG H NH2 2885 N N . ILE A 179 ? 0.1659 0.0879 0.1470 0.0154 -0.0559 0.0252 174 ILE H N 2886 C CA . ILE A 179 ? 0.1672 0.0869 0.1532 0.0169 -0.0527 0.0198 174 ILE H CA 2887 C C . ILE A 179 ? 0.1671 0.0872 0.1590 0.0199 -0.0471 0.0159 174 ILE H C 2888 O O . ILE A 179 ? 0.1709 0.0937 0.1727 0.0201 -0.0387 0.0021 174 ILE H O 2889 C CB . ILE A 179 ? 0.1831 0.1039 0.1609 0.0175 -0.0539 0.0269 174 ILE H CB 2890 C CG1 . ILE A 179 ? 0.2188 0.1305 0.1619 0.0080 -0.0540 0.0202 174 ILE H CG1 2891 C CG2 . ILE A 179 ? 0.1934 0.1171 0.1547 0.0127 -0.0597 0.0365 174 ILE H CG2 2892 C CD1 . ILE A 179 ? 0.2624 0.1550 0.1863 0.0126 -0.0473 -0.0308 174 ILE H CD1 2904 N N . ARG A 180 ? 0.1547 0.1025 0.1699 0.0254 -0.0448 0.0074 175 ARG H N 2905 C CA . ARG A 180 ? 0.1689 0.1069 0.1647 0.0164 -0.0658 0.0100 175 ARG H CA 2906 C C . ARG A 180 ? 0.1808 0.0916 0.1540 0.0138 -0.0528 0.0186 175 ARG H C 2907 O O . ARG A 180 ? 0.1855 0.1049 0.1721 0.0244 -0.0327 0.0185 175 ARG H O 2908 C CB . ARG A 180 ? 0.1585 0.1251 0.2045 0.0265 -0.0747 0.0007 175 ARG H CB 2909 C CG . ARG A 180 ? 0.1667 0.1494 0.2314 0.0180 -0.0875 -0.0118 175 ARG H CG 2910 C CD . ARG A 180 ? 0.1784 0.1535 0.2360 0.0268 -0.0792 0.0040 175 ARG H CD 2911 N NE . ARG A 180 ? 0.1941 0.1762 0.2418 0.0059 -0.0819 0.0367 175 ARG H NE 2912 C CZ . ARG A 180 ? 0.2095 0.2030 0.2510 -0.0176 -0.0965 0.0479 175 ARG H CZ 2913 N NH1 . ARG A 180 ? 0.2067 0.1897 0.2976 0.0107 -0.1201 0.0448 175 ARG H NH1 2914 N NH2 . ARG A 180 ? 0.2334 0.2510 0.2550 -0.0433 -0.0923 0.0745 175 ARG H NH2 2928 N N . ILE A 181 ? 0.1729 0.0962 0.1383 0.0172 -0.0694 0.0090 176 ILE H N 2929 C CA . ILE A 181 ? 0.1793 0.0931 0.1596 0.0209 -0.0804 0.0039 176 ILE H CA 2930 C C . ILE A 181 ? 0.1946 0.1096 0.1396 0.0220 -0.0858 0.0130 176 ILE H C 2931 O O . ILE A 181 ? 0.2675 0.1313 0.1878 -0.0297 -0.1246 0.0372 176 ILE H O 2932 C CB . ILE A 181 ? 0.1966 0.0946 0.2007 0.0305 -0.0694 -0.0078 176 ILE H CB 2933 C CG1 . ILE A 181 ? 0.2076 0.1145 0.2138 0.0203 -0.0741 0.0051 176 ILE H CG1 2934 C CG2 . ILE A 181 ? 0.2314 0.1208 0.1946 0.0560 -0.0314 0.0066 176 ILE H CG2 2935 C CD1 . ILE A 181 ? 0.2202 0.1415 0.2320 0.0137 -0.0441 0.0402 176 ILE H CD1 2947 N N . THR A 182 ? 0.1578 0.1006 0.1231 0.0202 -0.0640 0.0077 177 THR H N 2948 C CA . THR A 182 ? 0.1472 0.0991 0.1259 0.0227 -0.0661 -0.0023 177 THR H CA 2949 C C . THR A 182 ? 0.1420 0.1086 0.1053 0.0244 -0.0623 0.0001 177 THR H C 2950 O O . THR A 182 ? 0.1472 0.1048 0.1163 0.0193 -0.0607 0.0010 177 THR H O 2951 C CB . THR A 182 ? 0.1455 0.1055 0.1361 0.0286 -0.0574 0.0000 177 THR H CB 2952 O OG1 . THR A 182 ? 0.1508 0.1101 0.1281 0.0303 -0.0503 0.0095 177 THR H OG1 2953 C CG2 . THR A 182 ? 0.1583 0.1139 0.1485 0.0350 -0.0517 0.0031 177 THR H CG2 2961 N N . ASP A 183 ? 0.1492 0.1057 0.1143 0.0225 -0.0677 -0.0031 178 ASP H N 2962 C CA . ASP A 183 ? 0.1630 0.1068 0.1156 0.0190 -0.0595 -0.0071 178 ASP H CA 2963 C C . ASP A 183 ? 0.1501 0.0975 0.1221 0.0223 -0.0595 -0.0184 178 ASP H C 2964 O O . ASP A 183 ? 0.1748 0.1161 0.1213 0.0392 -0.0519 -0.0144 178 ASP H O 2965 C CB . ASP A 183 ? 0.1965 0.1232 0.1301 0.0117 -0.0778 -0.0134 178 ASP H CB 2966 C CG . ASP A 183 ? 0.2303 0.1794 0.1539 -0.0023 -0.0918 -0.0263 178 ASP H CG 2967 O OD1 . ASP A 183 ? 0.2575 0.1711 0.1288 -0.0029 -0.0667 -0.0072 178 ASP H OD1 2968 O OD2 . ASP A 183 ? 0.2708 0.2383 0.1686 -0.0282 -0.0952 -0.0355 178 ASP H OD2 2973 N N . ASN A 184 ? 0.1410 0.0877 0.1216 0.0211 -0.0566 -0.0045 179 ASN H N 2974 C CA . ASN A 184 ? 0.1436 0.0874 0.1138 0.0166 -0.0589 -0.0004 179 ASN H CA 2975 C C . ASN A 184 ? 0.1402 0.0751 0.1085 0.0331 -0.0502 -0.0011 179 ASN H C 2976 O O . ASN A 184 ? 0.1444 0.0883 0.1045 0.0344 -0.0563 -0.0020 179 ASN H O 2977 C CB . ASN A 184 ? 0.1415 0.1190 0.1215 0.0127 -0.0538 0.0010 179 ASN H CB 2978 C CG . ASN A 184 ? 0.1486 0.1218 0.1609 0.0075 -0.0386 -0.0100 179 ASN H CG 2979 O OD1 . ASN A 184 ? 0.1585 0.1115 0.2210 0.0052 -0.0493 -0.0223 179 ASN H OD1 2980 N ND2 . ASN A 184 ? 0.1409 0.1453 0.1630 0.0083 -0.0456 -0.0260 179 ASN H ND2 2987 N N . MET A 185 ? 0.1383 0.0896 0.1013 0.0255 -0.0508 -0.0054 180 MET H N 2988 C CA . MET A 185 ? 0.1368 0.0954 0.1065 0.0274 -0.0488 -0.0120 180 MET H CA 2989 C C . MET A 185 ? 0.1402 0.0888 0.0991 0.0249 -0.0509 0.0060 180 MET H C 2990 O O . MET A 185 ? 0.1436 0.1167 0.1060 0.0228 -0.0519 -0.0024 180 MET H O 2991 C CB . MET A 185 ? 0.1441 0.1028 0.1259 0.0271 -0.0526 -0.0157 180 MET H CB 2992 C CG . MET A 185 ? 0.1594 0.1014 0.1354 0.0363 -0.0632 -0.0118 180 MET H CG 2993 S SD . MET A 185 ? 0.1663 0.1006 0.1232 0.0445 -0.0556 -0.0023 180 MET H SD 2994 C CE . MET A 185 ? 0.1699 0.1358 0.1510 0.0624 -0.0388 -0.0141 180 MET H CE 3004 N N . PHE A 186 ? 0.1345 0.0815 0.0958 0.0247 -0.0460 0.0076 181 PHE H N 3005 C CA . PHE A 186 ? 0.1326 0.0771 0.1010 0.0212 -0.0488 -0.0003 181 PHE H CA 3006 C C . PHE A 186 ? 0.1411 0.0670 0.0993 0.0176 -0.0437 0.0102 181 PHE H C 3007 O O . PHE A 186 ? 0.1490 0.0875 0.0918 0.0137 -0.0402 0.0026 181 PHE H O 3008 C CB . PHE A 186 ? 0.1360 0.0734 0.1024 0.0146 -0.0398 -0.0040 181 PHE H CB 3009 C CG . PHE A 186 ? 0.1420 0.0709 0.1030 0.0224 -0.0289 -0.0023 181 PHE H CG 3010 C CD1 . PHE A 186 ? 0.1447 0.0713 0.1071 0.0228 -0.0399 0.0086 181 PHE H CD1 3011 C CD2 . PHE A 186 ? 0.1338 0.0788 0.1153 0.0201 -0.0225 0.0063 181 PHE H CD2 3012 C CE1 . PHE A 186 ? 0.1438 0.0763 0.1261 0.0108 -0.0239 0.0007 181 PHE H CE1 3013 C CE2 . PHE A 186 ? 0.1297 0.0800 0.1300 0.0308 -0.0204 -0.0035 181 PHE H CE2 3014 C CZ . PHE A 186 ? 0.1365 0.0784 0.1168 0.0265 -0.0266 -0.0017 181 PHE H CZ 3024 N N . CYS A 187 ? 0.1459 0.0672 0.0952 0.0097 -0.0364 0.0023 182 CYS H N 3025 C CA . CYS A 187 ? 0.1483 0.0631 0.1125 0.0155 -0.0338 0.0114 182 CYS H CA 3026 C C . CYS A 187 ? 0.1511 0.0576 0.1090 0.0120 -0.0390 0.0117 182 CYS H C 3027 O O . CYS A 187 ? 0.1524 0.0730 0.1213 0.0158 -0.0320 -0.0001 182 CYS H O 3028 C CB . CYS A 187 ? 0.1583 0.0666 0.1277 0.0139 -0.0407 0.0173 182 CYS H CB 3029 S SG . CYS A 187 ? 0.1825 0.0676 0.1387 0.0184 -0.0416 0.0221 182 CYS H SG 3034 N N . ALA A 188 ? 0.1562 0.0659 0.1150 0.0101 -0.0357 0.0083 183 ALA H N 3035 C CA . ALA A 188 ? 0.1483 0.0579 0.1255 0.0139 -0.0426 0.0068 183 ALA H CA 3036 C C . ALA A 188 ? 0.1546 0.0571 0.1281 0.0141 -0.0466 0.0103 183 ALA H C 3037 O O . ALA A 188 ? 0.1609 0.0662 0.1704 0.0030 -0.0393 -0.0122 183 ALA H O 3038 C CB . ALA A 188 ? 0.1370 0.0759 0.1316 0.0015 -0.0376 0.0061 183 ALA H CB 3044 N N . GLY A 189 ? 0.1487 0.0674 0.1338 0.0082 -0.0423 0.0087 184 GLY H N 3045 C CA . GLY A 189 ? 0.1536 0.0711 0.1464 0.0050 -0.0408 0.0158 184 GLY H CA 3046 C C . GLY A 189 ? 0.1698 0.0713 0.1481 0.0059 -0.0448 0.0260 184 GLY H C 3047 O O . GLY A 189 ? 0.1640 0.0863 0.1492 -0.0026 -0.0385 0.0204 184 GLY H O 3051 N N . TYR A 190 A 0.1649 0.0975 0.1630 -0.0040 -0.0381 0.0388 184 TYR H N 3052 C CA . TYR A 190 A 0.1623 0.1118 0.1963 -0.0030 -0.0292 0.0435 184 TYR H CA 3053 C C . TYR A 190 A 0.1743 0.1157 0.2026 -0.0111 -0.0239 0.0476 184 TYR H C 3054 O O . TYR A 190 A 0.1790 0.1191 0.2109 -0.0019 -0.0375 0.0540 184 TYR H O 3055 C CB . TYR A 190 A 0.1698 0.1272 0.2053 -0.0090 -0.0194 0.0534 184 TYR H CB 3056 C CG . TYR A 190 A 0.1603 0.1286 0.2073 -0.0149 -0.0299 0.0387 184 TYR H CG 3057 C CD1 . TYR A 190 A 0.1587 0.1405 0.2105 -0.0162 -0.0395 0.0448 184 TYR H CD1 3058 C CD2 . TYR A 190 A 0.1613 0.1109 0.2004 -0.0233 -0.0373 0.0294 184 TYR H CD2 3059 C CE1 . TYR A 190 A 0.1564 0.1489 0.2236 0.0010 -0.0353 0.0381 184 TYR H CE1 3060 C CE2 . TYR A 190 A 0.1728 0.1244 0.2163 -0.0097 -0.0540 0.0296 184 TYR H CE2 3061 C CZ . TYR A 190 A 0.1737 0.1244 0.2300 -0.0015 -0.0464 0.0302 184 TYR H CZ 3062 O OH . TYR A 190 A 0.1970 0.1368 0.2419 0.0125 -0.0391 0.0262 184 TYR H OH 3072 N N . LYS A 191 ? 0.2251 0.1323 0.1987 0.0045 -0.0092 0.0528 185 LYS H N 3073 C CA A LYS A 191 ? 0.2391 0.1430 0.2130 0.0072 -0.0142 0.0706 185 LYS H CA 3074 C CA B LYS A 191 ? 0.2421 0.1405 0.2148 0.0069 -0.0129 0.0710 185 LYS H CA 3075 C C . LYS A 191 ? 0.2531 0.1641 0.2325 -0.0143 -0.0069 0.0780 185 LYS H C 3076 O O . LYS A 191 ? 0.2446 0.1921 0.2409 -0.0303 -0.0135 0.0852 185 LYS H O 3077 C CB A LYS A 191 ? 0.2414 0.1493 0.2155 0.0137 -0.0282 0.0631 185 LYS H CB 3078 C CB B LYS A 191 ? 0.2506 0.1464 0.2211 0.0087 -0.0235 0.0602 185 LYS H CB 3079 C CG A LYS A 191 ? 0.2395 0.1563 0.2357 0.0131 -0.0469 0.0527 185 LYS H CG 3080 C CG B LYS A 191 ? 0.2517 0.1553 0.2463 -0.0044 -0.0374 0.0452 185 LYS H CG 3081 C CD A LYS A 191 ? 0.2483 0.1757 0.2643 0.0165 -0.0471 0.0382 185 LYS H CD 3082 C CD B LYS A 191 ? 0.2605 0.1795 0.2776 -0.0183 -0.0285 0.0345 185 LYS H CD 3083 C CE A LYS A 191 ? 0.2556 0.1767 0.2700 0.0156 -0.0434 0.0121 185 LYS H CE 3084 C CE B LYS A 191 ? 0.2730 0.1907 0.2933 -0.0087 -0.0317 0.0008 185 LYS H CE 3085 N NZ A LYS A 191 ? 0.2593 0.1772 0.2695 0.0002 -0.0418 -0.0050 185 LYS H NZ 3086 N NZ B LYS A 191 ? 0.2770 0.2029 0.3066 -0.0082 -0.0387 -0.0394 185 LYS H NZ 3113 N N . PRO A 192 ? 0.2671 0.1603 0.2584 -0.0488 -0.0313 0.0711 186 PRO H N 3114 C CA . PRO A 192 ? 0.3152 0.1981 0.3118 -0.0675 -0.0085 0.0708 186 PRO H CA 3115 C C . PRO A 192 ? 0.3303 0.2615 0.3551 -0.0856 0.0071 0.1060 186 PRO H C 3116 O O . PRO A 192 ? 0.3356 0.3241 0.3778 -0.1024 -0.0065 0.1080 186 PRO H O 3117 C CB . PRO A 192 ? 0.3287 0.1898 0.3222 -0.0499 -0.0001 0.0602 186 PRO H CB 3118 C CG . PRO A 192 ? 0.3127 0.1706 0.2981 -0.0353 0.0087 0.0700 186 PRO H CG 3119 C CD . PRO A 192 ? 0.2856 0.1551 0.2768 -0.0355 -0.0213 0.0755 186 PRO H CD 3127 N N . ASP A 193 A 0.3222 0.2662 0.3565 -0.0555 0.0339 0.1301 186 ASP H N 3128 C CA . ASP A 193 A 0.3490 0.3154 0.4005 -0.0171 0.0695 0.1230 186 ASP H CA 3129 C C . ASP A 193 A 0.3636 0.3357 0.4246 -0.0013 0.1084 0.1272 186 ASP H C 3130 O O . ASP A 193 A 0.3832 0.3722 0.4434 -0.0021 0.1265 0.1243 186 ASP H O 3131 C CB . ASP A 193 A 0.3602 0.3403 0.4025 0.0003 0.0738 0.1103 186 ASP H CB 3134 N N . GLU A 194 B 0.3453 0.3102 0.4151 0.0040 0.1109 0.1333 186 GLU H N 3135 C CA . GLU A 194 B 0.3305 0.3099 0.4039 0.0028 0.0878 0.1192 186 GLU H CA 3136 C C . GLU A 194 B 0.3383 0.3197 0.4190 -0.0086 0.0655 0.1005 186 GLU H C 3137 O O . GLU A 194 B 0.3151 0.3337 0.4236 0.0249 0.0614 0.0976 186 GLU H O 3138 C CB . GLU A 194 B 0.3267 0.3073 0.3936 0.0140 0.1076 0.1073 186 GLU H CB 3139 C CG . GLU A 194 B 0.3185 0.2889 0.3935 0.0167 0.1059 0.0912 186 GLU H CG 3140 C CD . GLU A 194 B 0.3208 0.2814 0.3896 0.0166 0.0804 0.0641 186 GLU H CD 3141 O OE1 . GLU A 194 B 0.2554 0.2216 0.3037 0.0243 0.0193 0.0706 186 GLU H OE1 3142 O OE2 . GLU A 194 B 0.3805 0.3217 0.4277 -0.0080 0.0985 0.0281 186 GLU H OE2 3149 N N . GLY A 195 C 0.3533 0.3159 0.4199 -0.0615 0.0433 0.1002 186 GLY H N 3150 C CA . GLY A 195 C 0.3622 0.3120 0.4013 -0.0991 0.0327 0.0953 186 GLY H CA 3151 C C . GLY A 195 C 0.3583 0.3146 0.3941 -0.0966 0.0256 0.0606 186 GLY H C 3152 O O . GLY A 195 C 0.3785 0.3230 0.4185 -0.0879 0.0093 0.0381 186 GLY H O 3156 N N . LYS A 196 D 0.3100 0.3003 0.3558 -0.1134 0.0202 0.0532 186 LYS H N 3157 C CA . LYS A 196 D 0.2554 0.2676 0.3293 -0.1036 -0.0253 0.0513 186 LYS H CA 3158 C C . LYS A 196 D 0.2286 0.2295 0.3123 -0.0870 -0.0554 0.0711 186 LYS H C 3159 O O . LYS A 196 D 0.2687 0.2472 0.3055 -0.0939 -0.0622 0.0894 186 LYS H O 3160 C CB . LYS A 196 D 0.2559 0.2940 0.3517 -0.0685 -0.0147 0.0314 186 LYS H CB 3161 C CG . LYS A 196 D 0.2829 0.3200 0.4058 -0.0399 -0.0010 0.0172 186 LYS H CG 3162 C CD . LYS A 196 D 0.3111 0.3342 0.4384 -0.0379 0.0205 0.0131 186 LYS H CD 3163 C CE . LYS A 196 D 0.3374 0.3509 0.4579 -0.0340 0.0212 0.0145 186 LYS H CE 3164 N NZ . LYS A 196 D 0.3497 0.3553 0.4649 -0.0369 0.0082 0.0093 186 LYS H NZ 3178 N N . ARG A 197 ? 0.2097 0.1846 0.2924 -0.0551 -0.0542 0.0728 187 ARG H N 3179 C CA . ARG A 197 ? 0.2095 0.1492 0.3126 -0.0377 -0.0377 0.0704 187 ARG H CA 3180 C C . ARG A 197 ? 0.1847 0.1269 0.2642 -0.0221 -0.0582 0.0431 187 ARG H C 3181 O O . ARG A 197 ? 0.1766 0.1333 0.2623 -0.0084 -0.0393 0.0377 187 ARG H O 3182 C CB . ARG A 197 ? 0.2336 0.1700 0.3829 -0.0440 -0.0061 0.0664 187 ARG H CB 3183 C CG . ARG A 197 ? 0.2162 0.2043 0.4024 -0.0467 -0.0559 0.0442 187 ARG H CG 3184 C CD . ARG A 197 ? 0.2094 0.1798 0.3761 -0.0608 -0.0794 0.0469 187 ARG H CD 3185 N NE . ARG A 197 ? 0.2304 0.1620 0.3633 -0.0600 -0.0803 0.0585 187 ARG H NE 3186 C CZ . ARG A 197 ? 0.2498 0.1654 0.3647 -0.0532 -0.0735 0.0770 187 ARG H CZ 3187 N NH1 . ARG A 197 ? 0.2584 0.2029 0.3677 -0.0491 -0.0671 0.0948 187 ARG H NH1 3188 N NH2 . ARG A 197 ? 0.2461 0.1679 0.3900 -0.0387 -0.0786 0.0679 187 ARG H NH2 3202 N N . GLY A 198 ? 0.1704 0.1064 0.2362 -0.0191 -0.0778 0.0233 188 GLY H N 3203 C CA . GLY A 198 ? 0.1730 0.1039 0.1997 -0.0046 -0.0746 0.0044 188 GLY H CA 3204 C C . GLY A 198 ? 0.1741 0.0829 0.1855 -0.0122 -0.0793 0.0235 188 GLY H C 3205 O O . GLY A 198 ? 0.1704 0.0874 0.1778 -0.0046 -0.0756 0.0111 188 GLY H O 3209 N N . ASP A 199 ? 0.1836 0.0791 0.1658 -0.0096 -0.0710 0.0213 189 ASP H N 3210 C CA . ASP A 199 ? 0.1720 0.0644 0.1730 -0.0027 -0.0704 0.0135 189 ASP H CA 3211 C C . ASP A 199 ? 0.1762 0.0681 0.1718 -0.0050 -0.0861 0.0067 189 ASP H C 3212 O O . ASP A 199 ? 0.1826 0.1041 0.1748 -0.0229 -0.0960 0.0107 189 ASP H O 3213 C CB . ASP A 199 ? 0.1889 0.0613 0.1636 -0.0002 -0.0627 0.0072 189 ASP H CB 3214 C CG . ASP A 199 ? 0.1916 0.0663 0.1572 0.0202 -0.0686 -0.0012 189 ASP H CG 3215 O OD1 . ASP A 199 ? 0.1764 0.0588 0.1576 0.0040 -0.0666 -0.0038 189 ASP H OD1 3216 O OD2 . ASP A 199 ? 0.2006 0.0691 0.1713 0.0111 -0.0781 0.0039 189 ASP H OD2 3221 N N . ALA A 200 ? 0.1681 0.0709 0.1512 0.0048 -0.0809 0.0018 190 ALA H N 3222 C CA . ALA A 200 ? 0.1770 0.0677 0.1596 0.0003 -0.0685 0.0030 190 ALA H CA 3223 C C . ALA A 200 ? 0.2092 0.0787 0.1528 0.0052 -0.0728 0.0040 190 ALA H C 3224 O O . ALA A 200 ? 0.2289 0.0761 0.1636 0.0090 -0.0750 -0.0021 190 ALA H O 3225 C CB . ALA A 200 ? 0.1783 0.0634 0.1614 0.0130 -0.0556 -0.0055 190 ALA H CB 3231 N N . CYS A 201 ? 0.2097 0.0774 0.1504 0.0138 -0.0761 -0.0066 191 CYS H N 3232 C CA . CYS A 201 ? 0.2409 0.0815 0.1794 0.0218 -0.0813 -0.0228 191 CYS H CA 3233 C C . CYS A 201 ? 0.2459 0.0911 0.1775 0.0439 -0.0835 -0.0127 191 CYS H C 3234 O O . CYS A 201 ? 0.2441 0.0898 0.1686 0.0509 -0.0677 -0.0203 191 CYS H O 3235 C CB . CYS A 201 ? 0.2457 0.0891 0.2007 0.0127 -0.0945 -0.0290 191 CYS H CB 3236 S SG . CYS A 201 ? 0.2963 0.0980 0.2377 0.0104 -0.0933 -0.0290 191 CYS H SG 3242 N N A GLU A 202 ? 0.2705 0.0942 0.1950 0.0420 -0.0857 -0.0234 192 GLU H N 3243 N N B GLU A 202 ? 0.2668 0.0876 0.2002 0.0233 -0.0741 -0.0287 192 GLU H N 3244 C CA A GLU A 202 ? 0.2807 0.1097 0.1986 0.0635 -0.0821 -0.0181 192 GLU H CA 3245 C CA B GLU A 202 ? 0.2722 0.0941 0.1970 0.0425 -0.0756 -0.0277 192 GLU H CA 3246 C C A GLU A 202 ? 0.2424 0.1071 0.1721 0.0608 -0.0988 -0.0382 192 GLU H C 3247 C C B GLU A 202 ? 0.2444 0.1006 0.1754 0.0424 -0.0931 -0.0410 192 GLU H C 3248 O O A GLU A 202 ? 0.2387 0.1180 0.1851 0.0708 -0.0932 -0.0342 192 GLU H O 3249 O O B GLU A 202 ? 0.2528 0.1137 0.1876 0.0344 -0.0891 -0.0341 192 GLU H O 3250 C CB A GLU A 202 ? 0.3418 0.1297 0.2263 0.0759 -0.0551 -0.0226 192 GLU H CB 3251 C CB B GLU A 202 ? 0.3040 0.1073 0.2019 0.0515 -0.0668 -0.0393 192 GLU H CB 3252 C CG A GLU A 202 ? 0.3961 0.1661 0.2622 0.0833 -0.0451 -0.0284 192 GLU H CG 3253 C CG B GLU A 202 ? 0.3627 0.1499 0.2398 0.0714 -0.0479 -0.0472 192 GLU H CG 3254 C CD A GLU A 202 ? 0.4346 0.1846 0.2644 0.0989 -0.0557 -0.0354 192 GLU H CD 3255 C CD B GLU A 202 ? 0.4255 0.2154 0.2960 0.0479 -0.0131 -0.0631 192 GLU H CD 3256 O OE1 A GLU A 202 ? 0.4552 0.2011 0.2477 0.1387 -0.0607 -0.0076 192 GLU H OE1 3257 O OE1 B GLU A 202 ? 0.4540 0.2222 0.3223 0.0445 -0.0081 -0.0871 192 GLU H OE1 3258 O OE2 A GLU A 202 ? 0.4268 0.1862 0.2529 0.0935 -0.0942 -0.0709 192 GLU H OE2 3259 O OE2 B GLU A 202 ? 0.4422 0.2506 0.3122 0.0414 0.0034 -0.0788 192 GLU H OE2 3272 N N . GLY A 203 ? 0.2328 0.0982 0.1639 0.0535 -0.0799 -0.0381 193 GLY H N 3273 C CA . GLY A 203 ? 0.2288 0.1132 0.1381 0.0535 -0.0670 -0.0379 193 GLY H CA 3274 C C . GLY A 203 ? 0.2090 0.1162 0.1275 0.0509 -0.0768 -0.0365 193 GLY H C 3275 O O . GLY A 203 ? 0.2284 0.1203 0.1305 0.0574 -0.0571 -0.0275 193 GLY H O 3279 N N . ASP A 204 ? 0.1842 0.0985 0.1312 0.0424 -0.0781 -0.0375 194 ASP H N 3280 C CA . ASP A 204 ? 0.1664 0.0851 0.1240 0.0290 -0.0661 -0.0217 194 ASP H CA 3281 C C . ASP A 204 ? 0.1672 0.0832 0.1079 0.0364 -0.0556 -0.0202 194 ASP H C 3282 O O . ASP A 204 ? 0.1709 0.0758 0.1180 0.0300 -0.0499 -0.0206 194 ASP H O 3283 C CB . ASP A 204 ? 0.1767 0.0828 0.1291 0.0213 -0.0740 -0.0191 194 ASP H CB 3284 C CG . ASP A 204 ? 0.1759 0.0736 0.1353 0.0231 -0.0715 -0.0173 194 ASP H CG 3285 O OD1 . ASP A 204 ? 0.1797 0.0913 0.1457 0.0230 -0.0817 -0.0117 194 ASP H OD1 3286 O OD2 . ASP A 204 ? 0.1816 0.0804 0.1625 0.0227 -0.0809 -0.0162 194 ASP H OD2 3291 N N . SER A 205 ? 0.1734 0.0831 0.1240 0.0393 -0.0681 -0.0180 195 SER H N 3292 C CA . SER A 205 ? 0.1714 0.0947 0.1322 0.0477 -0.0570 -0.0081 195 SER H CA 3293 C C . SER A 205 ? 0.1461 0.0839 0.1114 0.0418 -0.0446 -0.0160 195 SER H C 3294 O O . SER A 205 ? 0.1771 0.1037 0.0989 0.0426 -0.0541 -0.0247 195 SER H O 3295 C CB . SER A 205 ? 0.1897 0.1042 0.2036 0.0511 -0.0616 0.0157 195 SER H CB 3296 O OG . SER A 205 ? 0.2130 0.1224 0.2534 0.0508 -0.0826 0.0099 195 SER H OG 3302 N N . GLY A 206 ? 0.1455 0.0796 0.1002 0.0336 -0.0462 -0.0125 196 GLY H N 3303 C CA . GLY A 206 ? 0.1420 0.0895 0.0975 0.0285 -0.0355 -0.0080 196 GLY H CA 3304 C C . GLY A 206 ? 0.1499 0.0780 0.0953 0.0207 -0.0420 -0.0113 196 GLY H C 3305 O O . GLY A 206 ? 0.1545 0.0793 0.1036 0.0254 -0.0444 -0.0101 196 GLY H O 3309 N N . GLY A 207 ? 0.1478 0.0722 0.0981 0.0300 -0.0439 -0.0200 197 GLY H N 3310 C CA . GLY A 207 ? 0.1382 0.0771 0.1087 0.0212 -0.0515 -0.0062 197 GLY H CA 3311 C C . GLY A 207 ? 0.1343 0.0757 0.0919 0.0268 -0.0506 -0.0099 197 GLY H C 3312 O O . GLY A 207 ? 0.1398 0.0764 0.0946 0.0356 -0.0508 -0.0038 197 GLY H O 3316 N N . PRO A 208 ? 0.1326 0.0782 0.0945 0.0450 -0.0447 -0.0079 198 PRO H N 3317 C CA . PRO A 208 ? 0.1310 0.0722 0.1031 0.0353 -0.0378 -0.0066 198 PRO H CA 3318 C C . PRO A 208 ? 0.1159 0.0750 0.1138 0.0223 -0.0454 -0.0076 198 PRO H C 3319 O O . PRO A 208 ? 0.1321 0.1133 0.1087 0.0184 -0.0457 -0.0046 198 PRO H O 3320 C CB . PRO A 208 ? 0.1499 0.0727 0.1173 0.0381 -0.0269 0.0012 198 PRO H CB 3321 C CG . PRO A 208 ? 0.1536 0.0927 0.1189 0.0551 -0.0379 0.0056 198 PRO H CG 3322 C CD . PRO A 208 ? 0.1530 0.0908 0.1130 0.0486 -0.0513 -0.0066 198 PRO H CD 3330 N N . PHE A 209 ? 0.1281 0.0631 0.0966 0.0261 -0.0448 -0.0126 199 PHE H N 3331 C CA . PHE A 209 ? 0.1185 0.0547 0.1042 0.0200 -0.0353 -0.0062 199 PHE H CA 3332 C C . PHE A 209 ? 0.1179 0.0589 0.0889 0.0160 -0.0317 -0.0048 199 PHE H C 3333 O O . PHE A 209 ? 0.1196 0.0540 0.1098 0.0100 -0.0441 -0.0083 199 PHE H O 3334 C CB . PHE A 209 ? 0.1262 0.0547 0.1068 0.0232 -0.0374 -0.0017 199 PHE H CB 3335 C CG . PHE A 209 ? 0.1343 0.0621 0.1088 0.0261 -0.0392 0.0120 199 PHE H CG 3336 C CD1 . PHE A 209 ? 0.1385 0.0777 0.1060 0.0202 -0.0400 0.0083 199 PHE H CD1 3337 C CD2 . PHE A 209 ? 0.1596 0.0824 0.1300 0.0207 -0.0177 0.0101 199 PHE H CD2 3338 C CE1 . PHE A 209 ? 0.1550 0.1175 0.1034 0.0364 -0.0386 0.0126 199 PHE H CE1 3339 C CE2 . PHE A 209 ? 0.1576 0.1020 0.1498 0.0261 -0.0180 0.0325 199 PHE H CE2 3340 C CZ . PHE A 209 ? 0.1605 0.1234 0.1273 0.0511 -0.0119 0.0298 199 PHE H CZ 3350 N N . VAL A 210 ? 0.1179 0.0476 0.0933 0.0154 -0.0430 -0.0033 200 VAL H N 3351 C CA . VAL A 210 ? 0.1122 0.0453 0.0980 0.0174 -0.0380 -0.0018 200 VAL H CA 3352 C C . VAL A 210 ? 0.1150 0.0546 0.0940 0.0147 -0.0360 -0.0045 200 VAL H C 3353 O O . VAL A 210 ? 0.1299 0.0621 0.1046 0.0011 -0.0263 -0.0130 200 VAL H O 3354 C CB . VAL A 210 ? 0.1206 0.0567 0.0989 0.0218 -0.0379 -0.0061 200 VAL H CB 3355 C CG1 . VAL A 210 ? 0.1276 0.0763 0.1024 0.0158 -0.0356 -0.0052 200 VAL H CG1 3356 C CG2 . VAL A 210 ? 0.1310 0.0578 0.1066 0.0307 -0.0441 -0.0048 200 VAL H CG2 3366 N N . MET A 211 ? 0.1198 0.0456 0.0992 0.0197 -0.0304 -0.0140 201 MET H N 3367 C CA . MET A 211 ? 0.1184 0.0460 0.0983 0.0208 -0.0369 -0.0057 201 MET H CA 3368 C C . MET A 211 ? 0.1198 0.0636 0.0895 0.0186 -0.0331 -0.0062 201 MET H C 3369 O O . MET A 211 ? 0.1294 0.0596 0.1230 0.0222 -0.0150 -0.0013 201 MET H O 3370 C CB . MET A 211 ? 0.1289 0.0699 0.0968 0.0154 -0.0317 -0.0015 201 MET H CB 3371 C CG . MET A 211 ? 0.1531 0.0752 0.0993 0.0207 -0.0384 0.0043 201 MET H CG 3372 S SD . MET A 211 ? 0.1566 0.1025 0.1097 0.0290 -0.0449 0.0066 201 MET H SD 3373 C CE . MET A 211 ? 0.1589 0.1454 0.1165 0.0180 -0.0481 0.0233 201 MET H CE 3383 N N . LYS A 212 ? 0.1132 0.0519 0.1080 0.0120 -0.0273 -0.0068 202 LYS H N 3384 C CA . LYS A 212 ? 0.1180 0.0592 0.1107 0.0184 -0.0240 -0.0061 202 LYS H CA 3385 C C . LYS A 212 ? 0.1209 0.0504 0.1080 0.0164 -0.0325 -0.0134 202 LYS H C 3386 O O . LYS A 212 ? 0.1455 0.0699 0.1052 0.0166 -0.0256 -0.0062 202 LYS H O 3387 C CB . LYS A 212 ? 0.1264 0.0646 0.1093 0.0293 -0.0218 -0.0060 202 LYS H CB 3388 C CG . LYS A 212 ? 0.1276 0.0765 0.1179 0.0270 -0.0201 -0.0102 202 LYS H CG 3389 C CD . LYS A 212 ? 0.1228 0.0804 0.1163 0.0358 -0.0331 -0.0135 202 LYS H CD 3390 C CE . LYS A 212 ? 0.1326 0.0832 0.1275 0.0393 -0.0326 -0.0203 202 LYS H CE 3391 N NZ . LYS A 212 ? 0.1435 0.0853 0.1220 0.0442 -0.0340 -0.0158 202 LYS H NZ 3405 N N . SER A 213 ? 0.1339 0.0587 0.1093 0.0108 -0.0252 -0.0198 203 SER H N 3406 C CA . SER A 213 ? 0.1569 0.0604 0.1216 0.0137 -0.0255 -0.0189 203 SER H CA 3407 C C . SER A 213 ? 0.1524 0.0553 0.1162 0.0131 -0.0338 -0.0182 203 SER H C 3408 O O . SER A 213 ? 0.1742 0.0576 0.1188 0.0183 -0.0336 -0.0168 203 SER H O 3409 C CB . SER A 213 ? 0.1572 0.0778 0.1393 -0.0055 -0.0255 -0.0372 203 SER H CB 3410 O OG . SER A 213 ? 0.1713 0.0981 0.1582 -0.0108 -0.0222 -0.0498 203 SER H OG 3416 N N . PRO A 214 ? 0.1563 0.0591 0.1097 0.0199 -0.0311 -0.0152 204 PRO H N 3417 C CA . PRO A 214 ? 0.1767 0.0672 0.1242 0.0091 -0.0210 -0.0232 204 PRO H CA 3418 C C . PRO A 214 ? 0.1572 0.0676 0.1197 0.0127 -0.0257 -0.0224 204 PRO H C 3419 O O . PRO A 214 ? 0.1619 0.0715 0.1533 0.0283 -0.0237 -0.0316 204 PRO H O 3420 C CB . PRO A 214 ? 0.1834 0.0833 0.1394 0.0029 -0.0010 -0.0295 204 PRO H CB 3421 C CG . PRO A 214 ? 0.1903 0.0879 0.1243 0.0232 -0.0162 -0.0086 204 PRO H CG 3422 C CD . PRO A 214 ? 0.1791 0.0670 0.1222 0.0133 -0.0262 -0.0193 204 PRO H CD 3430 N N . PHE A 215 A 0.1507 0.0634 0.1349 0.0134 -0.0306 -0.0258 204 PHE H N 3431 C CA . PHE A 215 A 0.1647 0.0743 0.1406 0.0108 -0.0301 -0.0318 204 PHE H CA 3432 C C . PHE A 215 A 0.1821 0.0675 0.1393 0.0106 -0.0267 -0.0386 204 PHE H C 3433 O O . PHE A 215 A 0.1772 0.0634 0.1456 0.0100 -0.0375 -0.0315 204 PHE H O 3434 C CB . PHE A 215 A 0.1842 0.0794 0.1530 -0.0055 -0.0375 -0.0309 204 PHE H CB 3435 C CG . PHE A 215 A 0.1980 0.0831 0.1582 0.0006 -0.0595 -0.0296 204 PHE H CG 3436 C CD1 . PHE A 215 A 0.2220 0.1056 0.1666 -0.0056 -0.0478 -0.0212 204 PHE H CD1 3437 C CD2 . PHE A 215 A 0.2350 0.0962 0.1805 0.0194 -0.0795 -0.0222 204 PHE H CD2 3438 C CE1 . PHE A 215 A 0.2503 0.1484 0.1670 -0.0104 -0.0589 -0.0040 204 PHE H CE1 3439 C CE2 . PHE A 215 A 0.2471 0.1205 0.2044 0.0230 -0.0935 -0.0187 204 PHE H CE2 3440 C CZ . PHE A 215 A 0.2500 0.1413 0.1891 0.0018 -0.0728 -0.0045 204 PHE H CZ 3450 N N . ASN A 216 B 0.2120 0.0615 0.1474 0.0219 -0.0059 -0.0210 204 ASN H N 3451 C CA . ASN A 216 B 0.2098 0.0674 0.1432 0.0297 -0.0187 -0.0237 204 ASN H CA 3452 C C . ASN A 216 B 0.1978 0.0657 0.1542 0.0348 -0.0245 -0.0181 204 ASN H C 3453 O O . ASN A 216 B 0.2278 0.0731 0.1501 0.0382 -0.0442 -0.0125 204 ASN H O 3454 C CB . ASN A 216 B 0.2011 0.0757 0.1506 0.0098 -0.0269 -0.0334 204 ASN H CB 3455 C CG . ASN A 216 B 0.1885 0.0682 0.1554 0.0110 -0.0400 -0.0287 204 ASN H CG 3456 O OD1 . ASN A 216 B 0.1882 0.0613 0.1727 0.0182 -0.0353 -0.0238 204 ASN H OD1 3457 N ND2 . ASN A 216 B 0.2150 0.0754 0.1926 0.0000 -0.0251 -0.0393 204 ASN H ND2 3464 N N A ASN A 217 ? 0.1759 0.0755 0.1478 0.0344 -0.0460 -0.0312 205 ASN H N 3465 N N B ASN A 217 ? 0.1955 0.0780 0.1706 0.0241 -0.0209 -0.0072 205 ASN H N 3466 C CA A ASN A 217 ? 0.1589 0.0871 0.1496 0.0197 -0.0634 -0.0381 205 ASN H CA 3467 C CA B ASN A 217 ? 0.1810 0.0859 0.2030 0.0354 -0.0363 0.0086 205 ASN H CA 3468 C C A ASN A 217 ? 0.1669 0.0827 0.1274 0.0039 -0.0577 -0.0273 205 ASN H C 3469 C C B ASN A 217 ? 0.1817 0.0863 0.1590 0.0202 -0.0381 0.0098 205 ASN H C 3470 O O A ASN A 217 ? 0.1479 0.0920 0.1119 -0.0062 -0.0528 0.0089 205 ASN H O 3471 O O B ASN A 217 ? 0.1613 0.1347 0.1555 -0.0046 -0.0450 0.0213 205 ASN H O 3472 C CB A ASN A 217 ? 0.1721 0.1004 0.1901 0.0528 -0.0510 -0.0222 205 ASN H CB 3473 C CB B ASN A 217 ? 0.2168 0.1160 0.2825 0.0502 -0.0118 0.0205 205 ASN H CB 3474 C CG A ASN A 217 ? 0.2067 0.1102 0.1851 0.0506 -0.0642 -0.0086 205 ASN H CG 3475 C CG B ASN A 217 ? 0.2277 0.2150 0.3579 0.0891 0.0083 0.0008 205 ASN H CG 3476 O OD1 A ASN A 217 ? 0.2244 0.1084 0.1456 0.0651 -0.0893 -0.0357 205 ASN H OD1 3477 O OD1 B ASN A 217 ? 0.2978 0.2565 0.3655 0.0746 0.0558 0.0396 205 ASN H OD1 3478 N ND2 A ASN A 217 ? 0.1640 0.1356 0.1978 0.0519 -0.0731 -0.0115 205 ASN H ND2 3479 N ND2 B ASN A 217 ? 0.2756 0.3073 0.3824 0.0476 -0.0012 -0.0161 205 ASN H ND2 3492 N N . ARG A 218 ? 0.1853 0.0763 0.1212 0.0364 -0.0693 -0.0250 206 ARG H N 3493 C CA . ARG A 218 ? 0.1692 0.0571 0.1223 0.0144 -0.0554 -0.0156 206 ARG H CA 3494 C C . ARG A 218 ? 0.1375 0.0468 0.1244 0.0169 -0.0348 -0.0078 206 ARG H C 3495 O O . ARG A 218 ? 0.1366 0.0643 0.1099 0.0208 -0.0399 -0.0060 206 ARG H O 3496 C CB . ARG A 218 ? 0.1837 0.0664 0.1555 0.0057 -0.0615 -0.0168 206 ARG H CB 3497 C CG . ARG A 218 ? 0.2180 0.1015 0.1742 -0.0134 -0.0358 -0.0184 206 ARG H CG 3498 C CD . ARG A 218 ? 0.2598 0.1269 0.1736 -0.0544 -0.0139 -0.0148 206 ARG H CD 3499 N NE . ARG A 218 ? 0.3019 0.1273 0.2069 -0.0361 0.0283 -0.0139 206 ARG H NE 3500 C CZ . ARG A 218 ? 0.2942 0.0986 0.2027 -0.0234 -0.0072 -0.0091 206 ARG H CZ 3501 N NH1 . ARG A 218 ? 0.2733 0.0931 0.1669 -0.0158 -0.0217 -0.0120 206 ARG H NH1 3502 N NH2 . ARG A 218 ? 0.3461 0.1129 0.2411 0.0091 0.0034 -0.0242 206 ARG H NH2 3516 N N . TRP A 219 ? 0.1362 0.0515 0.0944 0.0264 -0.0351 -0.0067 207 TRP H N 3517 C CA . TRP A 219 ? 0.1179 0.0546 0.0999 0.0216 -0.0321 -0.0048 207 TRP H CA 3518 C C . TRP A 219 ? 0.1198 0.0490 0.1062 0.0182 -0.0295 0.0049 207 TRP H C 3519 O O . TRP A 219 ? 0.1218 0.0688 0.1170 0.0157 -0.0345 0.0132 207 TRP H O 3520 C CB . TRP A 219 ? 0.1219 0.0600 0.1054 0.0232 -0.0356 -0.0051 207 TRP H CB 3521 C CG . TRP A 219 ? 0.1094 0.0693 0.1006 0.0234 -0.0376 -0.0096 207 TRP H CG 3522 C CD1 . TRP A 219 ? 0.1169 0.0806 0.1091 0.0162 -0.0338 -0.0035 207 TRP H CD1 3523 C CD2 . TRP A 219 ? 0.1032 0.0621 0.1056 0.0246 -0.0317 -0.0115 207 TRP H CD2 3524 N NE1 . TRP A 219 ? 0.1218 0.0777 0.1051 0.0304 -0.0478 -0.0069 207 TRP H NE1 3525 C CE2 . TRP A 219 ? 0.1161 0.0672 0.1051 0.0151 -0.0312 -0.0124 207 TRP H CE2 3526 C CE3 . TRP A 219 ? 0.1105 0.0631 0.1185 0.0189 -0.0370 -0.0117 207 TRP H CE3 3527 C CZ2 . TRP A 219 ? 0.1186 0.0815 0.1149 0.0212 -0.0376 -0.0177 207 TRP H CZ2 3528 C CZ3 . TRP A 219 ? 0.1295 0.0619 0.1270 0.0232 -0.0353 -0.0074 207 TRP H CZ3 3529 C CH2 . TRP A 219 ? 0.1221 0.0725 0.1227 0.0075 -0.0347 -0.0160 207 TRP H CH2 3540 N N . TYR A 220 ? 0.1122 0.0502 0.1022 0.0181 -0.0344 0.0005 208 TYR H N 3541 C CA . TYR A 220 ? 0.1164 0.0600 0.1006 0.0227 -0.0317 -0.0039 208 TYR H CA 3542 C C . TYR A 220 ? 0.1281 0.0522 0.0976 0.0144 -0.0350 0.0076 208 TYR H C 3543 O O . TYR A 220 ? 0.1288 0.0593 0.1186 0.0151 -0.0229 -0.0067 208 TYR H O 3544 C CB . TYR A 220 ? 0.1192 0.0677 0.1082 0.0271 -0.0408 -0.0092 208 TYR H CB 3545 C CG . TYR A 220 ? 0.1198 0.0679 0.1091 0.0212 -0.0420 -0.0098 208 TYR H CG 3546 C CD1 . TYR A 220 ? 0.1232 0.0598 0.1217 0.0128 -0.0387 -0.0070 208 TYR H CD1 3547 C CD2 . TYR A 220 ? 0.1282 0.0985 0.1264 0.0135 -0.0308 -0.0310 208 TYR H CD2 3548 C CE1 . TYR A 220 ? 0.1421 0.0700 0.1330 0.0085 -0.0313 -0.0170 208 TYR H CE1 3549 C CE2 . TYR A 220 ? 0.1398 0.0906 0.1542 -0.0066 -0.0299 -0.0371 208 TYR H CE2 3550 C CZ . TYR A 220 ? 0.1586 0.0699 0.1590 -0.0006 -0.0350 -0.0311 208 TYR H CZ 3551 O OH . TYR A 220 ? 0.1920 0.0749 0.2040 -0.0061 -0.0226 -0.0361 208 TYR H OH 3561 N N . GLN A 221 ? 0.1182 0.0540 0.1086 0.0172 -0.0271 -0.0045 209 GLN H N 3562 C CA . GLN A 221 ? 0.1193 0.0524 0.1107 0.0251 -0.0330 -0.0059 209 GLN H CA 3563 C C . GLN A 221 ? 0.1170 0.0515 0.1162 0.0147 -0.0328 -0.0102 209 GLN H C 3564 O O . GLN A 221 ? 0.1214 0.0759 0.1204 0.0111 -0.0386 0.0113 209 GLN H O 3565 C CB . GLN A 221 ? 0.1278 0.0696 0.1027 0.0318 -0.0290 0.0050 209 GLN H CB 3566 C CG . GLN A 221 ? 0.1291 0.0614 0.1010 0.0338 -0.0195 -0.0040 209 GLN H CG 3567 C CD . GLN A 221 ? 0.1415 0.0627 0.0990 0.0306 -0.0308 0.0017 209 GLN H CD 3568 O OE1 . GLN A 221 ? 0.1807 0.0725 0.1034 0.0402 -0.0259 0.0140 209 GLN H OE1 3569 N NE2 . GLN A 221 ? 0.1335 0.0749 0.0979 0.0387 -0.0236 0.0029 209 GLN H NE2 3578 N N . MET A 222 ? 0.0982 0.0457 0.1091 0.0081 -0.0354 -0.0024 210 MET H N 3579 C CA A MET A 222 ? 0.1228 0.0520 0.0985 0.0069 -0.0464 -0.0030 210 MET H CA 3580 C CA B MET A 222 ? 0.1072 0.0536 0.0905 -0.0015 -0.0366 -0.0171 210 MET H CA 3581 C C . MET A 222 ? 0.1200 0.0591 0.0934 0.0093 -0.0447 -0.0088 210 MET H C 3582 O O . MET A 222 ? 0.1301 0.0678 0.1029 0.0192 -0.0531 -0.0057 210 MET H O 3583 C CB A MET A 222 ? 0.1623 0.0646 0.1167 0.0238 -0.0574 -0.0029 210 MET H CB 3584 C CB B MET A 222 ? 0.1147 0.0543 0.0817 -0.0060 -0.0156 -0.0305 210 MET H CB 3585 C CG A MET A 222 ? 0.2013 0.1348 0.1468 0.0292 -0.0703 -0.0024 210 MET H CG 3586 C CG B MET A 222 ? 0.1220 0.0637 0.1156 -0.0329 0.0168 -0.0330 210 MET H CG 3587 S SD A MET A 222 ? 0.2411 0.0918 0.1636 0.0609 0.0096 0.0160 210 MET H SD 3588 S SD B MET A 222 ? 0.1248 0.0789 0.1437 -0.0137 -0.0329 -0.0408 210 MET H SD 3589 C CE A MET A 222 ? 0.2101 0.0609 0.2037 -0.0047 -0.0024 -0.0267 210 MET H CE 3590 C CE B MET A 222 ? 0.1529 0.0493 0.1196 -0.0038 -0.0393 -0.0127 210 MET H CE 3609 N N . GLY A 223 ? 0.1211 0.0552 0.0965 0.0209 -0.0476 -0.0035 211 GLY H N 3610 C CA . GLY A 223 ? 0.1108 0.0595 0.0981 0.0105 -0.0367 -0.0096 211 GLY H CA 3611 C C . GLY A 223 ? 0.1182 0.0577 0.0891 0.0157 -0.0389 -0.0024 211 GLY H C 3612 O O . GLY A 223 ? 0.1233 0.0556 0.0956 0.0254 -0.0368 0.0029 211 GLY H O 3616 N N . ILE A 224 ? 0.1214 0.0508 0.0959 0.0279 -0.0411 -0.0086 212 ILE H N 3617 C CA . ILE A 224 ? 0.1262 0.0588 0.1006 0.0265 -0.0443 -0.0115 212 ILE H CA 3618 C C . ILE A 224 ? 0.1294 0.0615 0.0953 0.0291 -0.0414 -0.0126 212 ILE H C 3619 O O . ILE A 224 ? 0.1387 0.0641 0.0879 0.0281 -0.0505 -0.0006 212 ILE H O 3620 C CB . ILE A 224 ? 0.1267 0.0680 0.1080 0.0310 -0.0429 -0.0071 212 ILE H CB 3621 C CG1 . ILE A 224 ? 0.1341 0.0741 0.1243 0.0260 -0.0260 -0.0014 212 ILE H CG1 3622 C CG2 . ILE A 224 ? 0.1426 0.0868 0.1044 0.0210 -0.0318 -0.0062 212 ILE H CG2 3623 C CD1 . ILE A 224 ? 0.1431 0.0917 0.1285 0.0204 -0.0314 0.0041 212 ILE H CD1 3635 N N . VAL A 225 ? 0.1339 0.0592 0.0964 0.0253 -0.0540 -0.0029 213 VAL H N 3636 C CA . VAL A 225 ? 0.1315 0.0642 0.1002 0.0226 -0.0489 -0.0048 213 VAL H CA 3637 C C . VAL A 225 ? 0.1343 0.0674 0.0940 0.0255 -0.0527 -0.0096 213 VAL H C 3638 O O . VAL A 225 ? 0.1454 0.0797 0.0974 0.0391 -0.0522 -0.0108 213 VAL H O 3639 C CB . VAL A 225 ? 0.1285 0.0840 0.1183 0.0230 -0.0499 -0.0052 213 VAL H CB 3640 C CG1 . VAL A 225 ? 0.1523 0.0850 0.1161 0.0179 -0.0434 -0.0065 213 VAL H CG1 3641 C CG2 . VAL A 225 ? 0.1364 0.0925 0.1197 0.0147 -0.0591 -0.0055 213 VAL H CG2 3651 N N . SER A 226 ? 0.1237 0.0535 0.1112 0.0213 -0.0424 -0.0004 214 SER H N 3652 C CA . SER A 226 ? 0.1375 0.0597 0.1088 0.0308 -0.0434 -0.0009 214 SER H CA 3653 C C . SER A 226 ? 0.1619 0.0568 0.1032 0.0278 -0.0474 -0.0063 214 SER H C 3654 O O . SER A 226 ? 0.1944 0.0652 0.1133 0.0340 -0.0298 -0.0197 214 SER H O 3655 C CB . SER A 226 ? 0.1254 0.0711 0.1208 0.0241 -0.0488 0.0021 214 SER H CB 3656 O OG . SER A 226 ? 0.1401 0.0786 0.1207 0.0358 -0.0395 0.0005 214 SER H OG 3662 N N . TRP A 227 ? 0.1657 0.0565 0.1025 0.0301 -0.0390 -0.0037 215 TRP H N 3663 C CA . TRP A 227 ? 0.1744 0.0574 0.1179 0.0289 -0.0417 -0.0078 215 TRP H CA 3664 C C . TRP A 227 ? 0.1771 0.0583 0.1212 0.0231 -0.0534 -0.0035 215 TRP H C 3665 O O . TRP A 227 ? 0.1780 0.0549 0.1312 0.0202 -0.0434 -0.0073 215 TRP H O 3666 C CB . TRP A 227 ? 0.1814 0.0734 0.1401 0.0405 -0.0428 0.0019 215 TRP H CB 3667 C CG . TRP A 227 ? 0.1674 0.0766 0.1414 0.0434 -0.0375 0.0148 215 TRP H CG 3668 C CD1 . TRP A 227 ? 0.1610 0.1000 0.1380 0.0509 -0.0520 0.0122 215 TRP H CD1 3669 C CD2 . TRP A 227 ? 0.1858 0.0944 0.1495 0.0514 -0.0357 0.0273 215 TRP H CD2 3670 N NE1 . TRP A 227 ? 0.1762 0.1107 0.1389 0.0600 -0.0582 0.0021 215 TRP H NE1 3671 C CE2 . TRP A 227 ? 0.1889 0.1179 0.1515 0.0660 -0.0365 0.0286 215 TRP H CE2 3672 C CE3 . TRP A 227 ? 0.2096 0.1178 0.1784 0.0527 -0.0389 0.0517 215 TRP H CE3 3673 C CZ2 . TRP A 227 ? 0.2262 0.1502 0.1587 0.0844 -0.0313 0.0338 215 TRP H CZ2 3674 C CZ3 . TRP A 227 ? 0.2390 0.1640 0.2017 0.0733 -0.0355 0.0703 215 TRP H CZ3 3675 C CH2 . TRP A 227 ? 0.2247 0.1767 0.1792 0.0824 -0.0253 0.0644 215 TRP H CH2 3686 N N . GLY A 228 ? 0.2015 0.0610 0.1297 0.0295 -0.0330 -0.0072 216 GLY H N 3687 C CA . GLY A 228 ? 0.2139 0.0571 0.1443 0.0092 -0.0307 -0.0025 216 GLY H CA 3688 C C . GLY A 228 ? 0.2576 0.0676 0.1443 0.0088 -0.0282 -0.0029 216 GLY H C 3689 O O . GLY A 228 ? 0.3374 0.0873 0.2127 0.0129 0.0334 -0.0003 216 GLY H O 3693 N N . GLU A 229 ? 0.2296 0.0636 0.1528 0.0051 -0.0431 0.0086 217 GLU H N 3694 C CA . GLU A 229 ? 0.2431 0.0734 0.1792 -0.0067 -0.0738 0.0060 217 GLU H CA 3695 C C . GLU A 229 ? 0.2392 0.0752 0.1994 0.0021 -0.0765 0.0064 217 GLU H C 3696 O O . GLU A 229 ? 0.2685 0.0978 0.2286 -0.0099 -0.0714 0.0112 217 GLU H O 3697 C CB . GLU A 229 ? 0.2725 0.0950 0.1960 -0.0125 -0.1099 0.0223 217 GLU H CB 3698 C CG . GLU A 229 ? 0.3019 0.1118 0.1982 0.0005 -0.0950 0.0293 217 GLU H CG 3699 C CD . GLU A 229 ? 0.3416 0.1250 0.2150 0.0275 -0.0878 0.0224 217 GLU H CD 3700 O OE1 . GLU A 229 ? 0.3287 0.1174 0.2001 -0.0003 -0.0893 0.0014 217 GLU H OE1 3701 O OE2 . GLU A 229 ? 0.4126 0.1727 0.2221 0.0900 -0.0697 0.0245 217 GLU H OE2 3708 N N . GLY A 230 ? 0.2517 0.0865 0.2037 0.0251 -0.0955 -0.0075 219 GLY H N 3709 C CA . GLY A 230 ? 0.2433 0.0860 0.2189 0.0224 -0.0933 -0.0200 219 GLY H CA 3710 C C . GLY A 230 ? 0.2447 0.0847 0.2241 0.0181 -0.0904 -0.0182 219 GLY H C 3711 O O . GLY A 230 ? 0.2573 0.0856 0.2481 0.0103 -0.0858 -0.0088 219 GLY H O 3715 N N . CYS A 231 ? 0.2287 0.0771 0.1939 0.0123 -0.0905 -0.0048 220 CYS H N 3716 C CA . CYS A 231 ? 0.2368 0.0802 0.1992 0.0120 -0.0930 0.0013 220 CYS H CA 3717 C C . CYS A 231 ? 0.2310 0.0773 0.2091 -0.0010 -0.0880 0.0037 220 CYS H C 3718 O O . CYS A 231 ? 0.2522 0.0888 0.2271 -0.0146 -0.1042 -0.0004 220 CYS H O 3719 C CB . CYS A 231 ? 0.2831 0.0951 0.2117 0.0308 -0.0793 0.0115 220 CYS H CB 3720 S SG . CYS A 231 ? 0.3031 0.0930 0.2278 0.0300 -0.0756 -0.0019 220 CYS H SG 3725 N N . ASP A 232 ? 0.2152 0.0740 0.1897 -0.0064 -0.0885 0.0101 221 ASP H N 3726 C CA . ASP A 232 ? 0.2161 0.0843 0.2159 -0.0159 -0.0949 0.0273 221 ASP H CA 3727 C C . ASP A 232 ? 0.2224 0.0882 0.2258 -0.0261 -0.0999 0.0209 221 ASP H C 3728 O O . ASP A 232 ? 0.2305 0.1094 0.2699 -0.0315 -0.1005 0.0434 221 ASP H O 3729 C CB . ASP A 232 ? 0.2251 0.0907 0.2347 -0.0103 -0.1047 0.0197 221 ASP H CB 3730 C CG . ASP A 232 ? 0.2241 0.1026 0.2374 -0.0313 -0.1199 0.0217 221 ASP H CG 3731 O OD1 . ASP A 232 ? 0.2189 0.1106 0.2462 -0.0241 -0.1082 0.0374 221 ASP H OD1 3732 O OD2 . ASP A 232 ? 0.2305 0.1486 0.2661 -0.0489 -0.1072 0.0144 221 ASP H OD2 3737 N N . ARG A 233 A 0.2232 0.0919 0.2186 -0.0221 -0.1016 0.0355 221 ARG H N 3738 C CA . ARG A 233 A 0.2381 0.0974 0.2294 -0.0238 -0.1018 0.0401 221 ARG H CA 3739 C C . ARG A 233 A 0.2321 0.0962 0.2218 -0.0211 -0.0850 0.0464 221 ARG H C 3740 O O . ARG A 233 A 0.2163 0.0860 0.2274 -0.0248 -0.0851 0.0323 221 ARG H O 3741 C CB . ARG A 233 A 0.2598 0.0969 0.2457 -0.0167 -0.1096 0.0280 221 ARG H CB 3742 C CG . ARG A 233 A 0.2830 0.0953 0.2682 -0.0118 -0.1001 0.0120 221 ARG H CG 3743 C CD . ARG A 233 A 0.3149 0.1014 0.2810 0.0151 -0.0932 0.0086 221 ARG H CD 3744 N NE . ARG A 233 A 0.3484 0.1139 0.2806 0.0338 -0.0994 0.0060 221 ARG H NE 3745 C CZ . ARG A 233 A 0.3791 0.1521 0.3086 0.0628 -0.1000 0.0035 221 ARG H CZ 3746 N NH1 . ARG A 233 A 0.3889 0.1966 0.3337 0.0827 -0.0960 0.0130 221 ARG H NH1 3747 N NH2 . ARG A 233 A 0.3975 0.1771 0.3316 0.0721 -0.0751 -0.0170 221 ARG H NH2 3761 N N . ASP A 234 ? 0.2416 0.1070 0.2349 -0.0436 -0.0741 0.0568 222 ASP H N 3762 C CA . ASP A 234 ? 0.2203 0.1171 0.2621 -0.0386 -0.0771 0.0716 222 ASP H CA 3763 C C . ASP A 234 ? 0.2267 0.1022 0.2585 -0.0275 -0.0552 0.0617 222 ASP H C 3764 O O . ASP A 234 ? 0.2419 0.1003 0.2698 -0.0254 -0.0604 0.0557 222 ASP H O 3765 C CB . ASP A 234 ? 0.2251 0.1558 0.3099 -0.0567 -0.0878 0.1009 222 ASP H CB 3766 C CG . ASP A 234 ? 0.2551 0.2046 0.3804 -0.0825 -0.0764 0.1266 222 ASP H CG 3767 O OD1 . ASP A 234 ? 0.2350 0.1979 0.3924 -0.0747 -0.1049 0.1260 222 ASP H OD1 3768 O OD2 . ASP A 234 ? 0.2943 0.2396 0.4459 -0.1118 -0.1064 0.1258 222 ASP H OD2 3773 N N . GLY A 235 ? 0.2085 0.1118 0.2426 -0.0202 -0.0502 0.0620 223 GLY H N 3774 C CA . GLY A 235 ? 0.2108 0.1052 0.2131 -0.0201 -0.0623 0.0503 223 GLY H CA 3775 C C . GLY A 235 ? 0.2050 0.0993 0.1980 -0.0104 -0.0595 0.0448 223 GLY H C 3776 O O . GLY A 235 ? 0.2223 0.1161 0.1927 -0.0244 -0.0550 0.0446 223 GLY H O 3780 N N . LYS A 236 ? 0.2042 0.0793 0.1842 -0.0107 -0.0546 0.0405 224 LYS H N 3781 C CA . LYS A 236 ? 0.2032 0.0734 0.1714 0.0073 -0.0626 0.0224 224 LYS H CA 3782 C C . LYS A 236 ? 0.1861 0.0723 0.1765 0.0027 -0.0605 0.0248 224 LYS H C 3783 O O . LYS A 236 ? 0.1756 0.0779 0.1970 -0.0042 -0.0595 0.0286 224 LYS H O 3784 C CB . LYS A 236 ? 0.2142 0.0781 0.1692 0.0187 -0.0657 0.0197 224 LYS H CB 3785 C CG . LYS A 236 ? 0.2570 0.0959 0.1717 0.0297 -0.0792 0.0144 224 LYS H CG 3786 C CD . LYS A 236 ? 0.2842 0.1061 0.1902 0.0517 -0.0927 -0.0208 224 LYS H CD 3787 C CE . LYS A 236 ? 0.2840 0.1480 0.1967 0.0455 -0.0758 -0.0089 224 LYS H CE 3788 N NZ . LYS A 236 ? 0.2789 0.1742 0.1986 0.0624 -0.0720 -0.0029 224 LYS H NZ 3802 N N . TYR A 237 ? 0.1731 0.0674 0.1667 -0.0019 -0.0468 0.0264 225 TYR H N 3803 C CA . TYR A 237 ? 0.1758 0.0678 0.1542 0.0084 -0.0446 0.0264 225 TYR H CA 3804 C C . TYR A 237 ? 0.1768 0.0618 0.1555 0.0119 -0.0440 0.0214 225 TYR H C 3805 O O . TYR A 237 ? 0.1889 0.0913 0.2173 0.0359 -0.0233 0.0501 225 TYR H O 3806 C CB . TYR A 237 ? 0.1749 0.0657 0.1623 -0.0006 -0.0565 0.0108 225 TYR H CB 3807 C CG . TYR A 237 ? 0.1772 0.0731 0.1393 0.0002 -0.0483 0.0224 225 TYR H CG 3808 C CD1 . TYR A 237 ? 0.1858 0.0834 0.1476 0.0000 -0.0589 0.0303 225 TYR H CD1 3809 C CD2 . TYR A 237 ? 0.1873 0.0850 0.1534 0.0038 -0.0447 0.0270 225 TYR H CD2 3810 C CE1 . TYR A 237 ? 0.1926 0.1063 0.1577 0.0059 -0.0542 0.0349 225 TYR H CE1 3811 C CE2 . TYR A 237 ? 0.2070 0.1038 0.1606 -0.0057 -0.0382 0.0423 225 TYR H CE2 3812 C CZ . TYR A 237 ? 0.1995 0.1376 0.1838 -0.0113 -0.0359 0.0496 225 TYR H CZ 3813 O OH . TYR A 237 ? 0.2206 0.1891 0.2227 0.0030 -0.0130 0.0791 225 TYR H OH 3823 N N . GLY A 238 ? 0.1663 0.0599 0.1423 0.0087 -0.0492 0.0188 226 GLY H N 3824 C CA . GLY A 238 ? 0.1651 0.0641 0.1150 0.0078 -0.0542 0.0067 226 GLY H CA 3825 C C . GLY A 238 ? 0.1542 0.0550 0.1059 0.0184 -0.0493 0.0040 226 GLY H C 3826 O O . GLY A 238 ? 0.1527 0.0633 0.1195 0.0172 -0.0345 0.0009 226 GLY H O 3830 N N . PHE A 239 ? 0.1562 0.0589 0.1029 0.0214 -0.0390 0.0002 227 PHE H N 3831 C CA . PHE A 239 ? 0.1504 0.0593 0.0996 0.0252 -0.0489 -0.0037 227 PHE H CA 3832 C C . PHE A 239 ? 0.1389 0.0627 0.0991 0.0303 -0.0490 0.0002 227 PHE H C 3833 O O . PHE A 239 ? 0.1586 0.0571 0.1014 0.0205 -0.0461 -0.0025 227 PHE H O 3834 C CB . PHE A 239 ? 0.1481 0.0608 0.1200 0.0293 -0.0344 0.0087 227 PHE H CB 3835 C CG . PHE A 239 ? 0.1593 0.0690 0.1283 0.0300 -0.0448 0.0087 227 PHE H CG 3836 C CD1 . PHE A 239 ? 0.1797 0.0720 0.1527 0.0208 -0.0490 0.0244 227 PHE H CD1 3837 C CD2 . PHE A 239 ? 0.1544 0.0891 0.1306 0.0364 -0.0447 0.0168 227 PHE H CD2 3838 C CE1 . PHE A 239 ? 0.1862 0.0908 0.1625 0.0203 -0.0398 0.0274 227 PHE H CE1 3839 C CE2 . PHE A 239 ? 0.1902 0.0977 0.1333 0.0397 -0.0432 0.0264 227 PHE H CE2 3840 C CZ . PHE A 239 ? 0.1862 0.1051 0.1429 0.0446 -0.0329 0.0325 227 PHE H CZ 3850 N N . TYR A 240 ? 0.1404 0.0648 0.0939 0.0193 -0.0455 0.0022 228 TYR H N 3851 C CA . TYR A 240 ? 0.1372 0.0591 0.0914 0.0200 -0.0434 0.0008 228 TYR H CA 3852 C C . TYR A 240 ? 0.1307 0.0604 0.0945 0.0226 -0.0450 0.0032 228 TYR H C 3853 O O . TYR A 240 ? 0.1296 0.0831 0.0997 0.0164 -0.0440 0.0024 228 TYR H O 3854 C CB . TYR A 240 ? 0.1377 0.0600 0.0999 0.0198 -0.0312 -0.0038 228 TYR H CB 3855 C CG . TYR A 240 ? 0.1217 0.0563 0.1137 0.0176 -0.0449 -0.0046 228 TYR H CG 3856 C CD1 . TYR A 240 ? 0.1352 0.0567 0.1071 0.0112 -0.0481 -0.0051 228 TYR H CD1 3857 C CD2 . TYR A 240 ? 0.1155 0.0712 0.1088 0.0252 -0.0417 -0.0015 228 TYR H CD2 3858 C CE1 . TYR A 240 ? 0.1280 0.0659 0.1215 0.0092 -0.0489 0.0063 228 TYR H CE1 3859 C CE2 . TYR A 240 ? 0.1318 0.0709 0.1163 0.0265 -0.0496 -0.0007 228 TYR H CE2 3860 C CZ . TYR A 240 ? 0.1290 0.0648 0.1320 0.0113 -0.0563 -0.0076 228 TYR H CZ 3861 O OH . TYR A 240 ? 0.1489 0.0815 0.1483 0.0082 -0.0696 0.0015 228 TYR H OH 3871 N N . THR A 241 ? 0.1195 0.0632 0.0966 0.0253 -0.0507 -0.0038 229 THR H N 3872 C CA . THR A 241 ? 0.1129 0.0720 0.0955 0.0270 -0.0442 0.0087 229 THR H CA 3873 C C . THR A 241 ? 0.1220 0.0681 0.0973 0.0175 -0.0456 0.0045 229 THR H C 3874 O O . THR A 241 ? 0.1271 0.0739 0.1099 0.0231 -0.0490 0.0015 229 THR H O 3875 C CB . THR A 241 ? 0.1222 0.0664 0.1102 0.0303 -0.0424 -0.0024 229 THR H CB 3876 O OG1 . THR A 241 ? 0.1452 0.0781 0.1110 0.0259 -0.0247 -0.0060 229 THR H OG1 3877 C CG2 . THR A 241 ? 0.1298 0.0907 0.1188 0.0336 -0.0300 -0.0050 229 THR H CG2 3885 N N . HIS A 242 ? 0.1332 0.0676 0.1070 0.0305 -0.0519 -0.0072 230 HIS H N 3886 C CA . HIS A 242 ? 0.1322 0.0732 0.1106 0.0247 -0.0476 -0.0070 230 HIS H CA 3887 C C . HIS A 242 ? 0.1355 0.0701 0.1214 0.0214 -0.0447 -0.0184 230 HIS H C 3888 O O . HIS A 242 ? 0.1348 0.0829 0.1422 0.0142 -0.0497 -0.0046 230 HIS H O 3889 C CB . HIS A 242 ? 0.1465 0.0824 0.1119 0.0203 -0.0537 -0.0013 230 HIS H CB 3890 C CG . HIS A 242 ? 0.1770 0.0912 0.1167 0.0373 -0.0573 -0.0066 230 HIS H CG 3891 N ND1 . HIS A 242 ? 0.1848 0.1047 0.1263 0.0320 -0.0642 -0.0238 230 HIS H ND1 3892 C CD2 . HIS A 242 ? 0.2038 0.1111 0.1387 0.0535 -0.0547 -0.0032 230 HIS H CD2 3893 C CE1 . HIS A 242 ? 0.1994 0.0958 0.1319 0.0335 -0.0768 -0.0154 230 HIS H CE1 3894 N NE2 . HIS A 242 ? 0.2127 0.1104 0.1382 0.0486 -0.0586 -0.0271 230 HIS H NE2 3901 N N . VAL A 243 ? 0.1256 0.0691 0.1159 0.0171 -0.0467 0.0002 231 VAL H N 3902 C CA . VAL A 243 ? 0.1300 0.0780 0.1238 0.0179 -0.0456 0.0015 231 VAL H CA 3903 C C . VAL A 243 ? 0.1307 0.0724 0.1360 0.0093 -0.0433 -0.0157 231 VAL H C 3904 O O . VAL A 243 ? 0.1386 0.0931 0.1452 -0.0063 -0.0420 -0.0069 231 VAL H O 3905 C CB . VAL A 243 ? 0.1385 0.0878 0.1203 0.0118 -0.0351 0.0065 231 VAL H CB 3906 C CG1 . VAL A 243 ? 0.1513 0.0912 0.1512 0.0044 -0.0378 0.0167 231 VAL H CG1 3907 C CG2 . VAL A 243 ? 0.1410 0.0950 0.1130 0.0015 -0.0458 -0.0028 231 VAL H CG2 3917 N N . PHE A 244 ? 0.1415 0.0772 0.1282 0.0050 -0.0467 -0.0206 232 PHE H N 3918 C CA . PHE A 244 ? 0.1444 0.0909 0.1430 0.0030 -0.0473 -0.0206 232 PHE H CA 3919 C C . PHE A 244 ? 0.1435 0.0874 0.1549 0.0001 -0.0488 -0.0217 232 PHE H C 3920 O O . PHE A 244 ? 0.1484 0.0973 0.1995 -0.0065 -0.0481 -0.0311 232 PHE H O 3921 C CB . PHE A 244 ? 0.1501 0.1036 0.1526 0.0036 -0.0596 -0.0308 232 PHE H CB 3922 C CG . PHE A 244 ? 0.1657 0.1404 0.1882 0.0180 -0.0553 -0.0623 232 PHE H CG 3923 C CD1 . PHE A 244 ? 0.1856 0.1241 0.2329 0.0126 -0.0489 -0.0810 232 PHE H CD1 3924 C CD2 . PHE A 244 ? 0.1710 0.1828 0.2238 0.0347 -0.0788 -0.0964 232 PHE H CD2 3925 C CE1 . PHE A 244 ? 0.2102 0.1539 0.2958 0.0148 -0.0239 -0.1120 232 PHE H CE1 3926 C CE2 . PHE A 244 ? 0.1922 0.2152 0.2646 0.0357 -0.0754 -0.1091 232 PHE H CE2 3927 C CZ . PHE A 244 ? 0.1937 0.2047 0.3097 0.0025 -0.0492 -0.1345 232 PHE H CZ 3937 N N . ARG A 245 ? 0.1389 0.1040 0.1427 -0.0018 -0.0550 -0.0234 233 ARG H N 3938 C CA . ARG A 245 ? 0.1373 0.1487 0.1642 0.0078 -0.0658 -0.0193 233 ARG H CA 3939 C C . ARG A 245 ? 0.1387 0.1592 0.1689 -0.0056 -0.0597 -0.0186 233 ARG H C 3940 O O . ARG A 245 ? 0.1502 0.1904 0.1885 0.0053 -0.0649 -0.0185 233 ARG H O 3941 C CB . ARG A 245 ? 0.1575 0.1884 0.1951 0.0213 -0.0669 0.0217 233 ARG H CB 3942 C CG . ARG A 245 ? 0.2022 0.2572 0.2489 0.0269 -0.0657 0.0435 233 ARG H CG 3943 C CD . ARG A 245 ? 0.2960 0.3100 0.2721 0.0335 -0.0548 0.0419 233 ARG H CD 3944 N NE . ARG A 245 ? 0.3431 0.3096 0.3039 0.0292 -0.0451 0.0487 233 ARG H NE 3945 C CZ . ARG A 245 ? 0.3490 0.3252 0.3380 0.0157 -0.0987 0.0118 233 ARG H CZ 3946 N NH1 . ARG A 245 ? 0.4021 0.3621 0.3673 0.0386 -0.0721 -0.0104 233 ARG H NH1 3947 N NH2 . ARG A 245 ? 0.3120 0.3509 0.3713 0.0008 -0.1263 0.0304 233 ARG H NH2 3961 N N . LEU A 246 ? 0.1329 0.1110 0.1675 0.0037 -0.0506 -0.0188 234 LEU H N 3962 C CA . LEU A 246 ? 0.1447 0.1152 0.1830 0.0071 -0.0399 -0.0155 234 LEU H CA 3963 C C . LEU A 246 ? 0.1556 0.1198 0.2073 -0.0045 -0.0313 -0.0095 234 LEU H C 3964 O O . LEU A 246 ? 0.1816 0.1432 0.2020 -0.0191 -0.0132 -0.0063 234 LEU H O 3965 C CB . LEU A 246 ? 0.1513 0.1267 0.1738 0.0053 -0.0350 -0.0175 234 LEU H CB 3966 C CG . LEU A 246 ? 0.1632 0.1229 0.1758 0.0241 -0.0442 -0.0124 234 LEU H CG 3967 C CD1 . LEU A 246 ? 0.1849 0.1191 0.2007 -0.0032 -0.0563 -0.0073 234 LEU H CD1 3968 C CD2 . LEU A 246 ? 0.2076 0.1583 0.2490 0.0177 -0.0775 0.0035 234 LEU H CD2 3980 N N . LYS A 247 ? 0.1953 0.1016 0.2216 0.0079 -0.0093 -0.0081 235 LYS H N 3981 C CA . LYS A 247 ? 0.2287 0.1216 0.2600 0.0114 0.0028 0.0115 235 LYS H CA 3982 C C . LYS A 247 ? 0.2314 0.1350 0.2689 -0.0189 0.0041 0.0036 235 LYS H C 3983 O O . LYS A 247 ? 0.2664 0.1449 0.2872 -0.0207 0.0250 0.0161 235 LYS H O 3984 C CB . LYS A 247 ? 0.2622 0.1122 0.3140 0.0202 0.0144 0.0272 235 LYS H CB 3985 C CG . LYS A 247 ? 0.2781 0.1504 0.3449 0.0216 0.0125 0.0355 235 LYS H CG 3986 C CD . LYS A 247 ? 0.2870 0.1873 0.3570 0.0437 0.0093 0.0591 235 LYS H CD 3987 C CE . LYS A 247 ? 0.2998 0.1998 0.3776 0.0631 0.0114 0.0495 235 LYS H CE 3988 N NZ . LYS A 247 ? 0.3303 0.2153 0.4116 0.0598 0.0377 0.0540 235 LYS H NZ 4002 N N . LYS A 248 ? 0.2220 0.1614 0.2667 -0.0485 -0.0012 -0.0031 236 LYS H N 4003 C CA . LYS A 248 ? 0.2394 0.2015 0.2999 -0.0617 -0.0075 -0.0014 236 LYS H CA 4004 C C . LYS A 248 ? 0.2051 0.1805 0.2893 -0.0535 -0.0167 -0.0032 236 LYS H C 4005 O O . LYS A 248 ? 0.2168 0.1812 0.3130 -0.0536 -0.0025 0.0096 236 LYS H O 4006 C CB . LYS A 248 ? 0.2983 0.2469 0.3353 -0.0816 -0.0029 -0.0224 236 LYS H CB 4007 C CG . LYS A 248 ? 0.3405 0.2598 0.3591 -0.0769 0.0060 -0.0252 236 LYS H CG 4012 N N . TRP A 249 ? 0.1886 0.1592 0.2779 -0.0299 -0.0352 -0.0025 237 TRP H N 4013 C CA . TRP A 249 ? 0.1826 0.1525 0.2637 -0.0235 -0.0265 0.0087 237 TRP H CA 4014 C C . TRP A 249 ? 0.1547 0.1357 0.2583 -0.0073 -0.0262 0.0141 237 TRP H C 4015 O O . TRP A 249 ? 0.1647 0.1531 0.2737 -0.0169 -0.0171 0.0374 237 TRP H O 4016 C CB . TRP A 249 ? 0.1864 0.1485 0.2451 -0.0044 -0.0359 0.0210 237 TRP H CB 4017 C CG . TRP A 249 ? 0.1727 0.1554 0.2660 0.0201 -0.0205 0.0139 237 TRP H CG 4018 C CD1 . TRP A 249 ? 0.1677 0.1861 0.2777 0.0455 -0.0206 0.0152 237 TRP H CD1 4019 C CD2 . TRP A 249 ? 0.1697 0.1491 0.2469 0.0241 -0.0314 0.0346 237 TRP H CD2 4020 N NE1 . TRP A 249 ? 0.1875 0.1835 0.2778 0.0475 0.0024 0.0290 237 TRP H NE1 4021 C CE2 . TRP A 249 ? 0.1887 0.1575 0.2628 0.0385 -0.0064 0.0195 237 TRP H CE2 4022 C CE3 . TRP A 249 ? 0.1669 0.1477 0.2420 -0.0063 -0.0336 0.0488 237 TRP H CE3 4023 C CZ2 . TRP A 249 ? 0.2311 0.1502 0.2706 0.0212 0.0031 0.0403 237 TRP H CZ2 4024 C CZ3 . TRP A 249 ? 0.1993 0.1435 0.2570 -0.0073 -0.0272 0.0473 237 TRP H CZ3 4025 C CH2 . TRP A 249 ? 0.2383 0.1475 0.2638 -0.0050 -0.0163 0.0296 237 TRP H CH2 4036 N N . ILE A 250 ? 0.1712 0.1255 0.2407 0.0061 -0.0140 0.0263 238 ILE H N 4037 C CA . ILE A 250 ? 0.1751 0.1340 0.2467 0.0221 -0.0104 0.0363 238 ILE H CA 4038 C C . ILE A 250 ? 0.1883 0.1521 0.2676 0.0086 0.0024 0.0458 238 ILE H C 4039 O O . ILE A 250 ? 0.1905 0.1566 0.2629 0.0059 -0.0108 0.0574 238 ILE H O 4040 C CB . ILE A 250 ? 0.1692 0.1400 0.2579 0.0228 -0.0056 0.0259 238 ILE H CB 4041 C CG1 . ILE A 250 ? 0.1509 0.1391 0.2692 0.0158 -0.0234 0.0057 238 ILE H CG1 4042 C CG2 . ILE A 250 ? 0.1815 0.1649 0.2718 0.0307 -0.0080 0.0374 238 ILE H CG2 4043 C CD1 . ILE A 250 ? 0.1585 0.1379 0.2926 0.0067 -0.0235 -0.0081 238 ILE H CD1 4055 N N . GLN A 251 ? 0.2218 0.1373 0.2875 -0.0086 0.0204 0.0372 239 GLN H N 4056 C CA . GLN A 251 ? 0.2698 0.1477 0.3416 -0.0304 0.0167 0.0214 239 GLN H CA 4057 C C . GLN A 251 ? 0.2603 0.1472 0.3491 -0.0394 0.0031 0.0321 239 GLN H C 4058 O O . GLN A 251 ? 0.2685 0.1841 0.3624 -0.0455 0.0185 0.0518 239 GLN H O 4059 C CB . GLN A 251 ? 0.3362 0.1858 0.4101 -0.0508 0.0361 0.0120 239 GLN H CB 4060 C CG . GLN A 251 ? 0.3927 0.2601 0.4716 -0.0465 0.0608 0.0328 239 GLN H CG 4061 C CD . GLN A 251 ? 0.4334 0.3153 0.5166 -0.0304 0.0750 0.0712 239 GLN H CD 4062 O OE1 . GLN A 251 ? 0.4497 0.3562 0.5487 -0.0054 0.0691 0.0708 239 GLN H OE1 4063 N NE2 . GLN A 251 ? 0.4555 0.3171 0.5335 -0.0320 0.0852 0.0744 239 GLN H NE2 4072 N N . LYS A 252 ? 0.2411 0.1713 0.3547 -0.0475 0.0069 0.0348 240 LYS H N 4073 C CA . LYS A 252 ? 0.2376 0.2206 0.3818 -0.0486 -0.0058 0.0448 240 LYS H CA 4074 C C . LYS A 252 ? 0.2108 0.2067 0.3467 -0.0509 -0.0146 0.0607 240 LYS H C 4075 O O . LYS A 252 ? 0.2331 0.2501 0.3617 -0.0585 0.0203 0.0651 240 LYS H O 4076 C CB . LYS A 252 ? 0.2297 0.2716 0.4087 -0.0460 -0.0273 0.0532 240 LYS H CB 4077 C CG . LYS A 252 ? 0.2691 0.3198 0.4537 -0.0261 -0.0156 0.0597 240 LYS H CG 4078 C CD . LYS A 252 ? 0.2941 0.3363 0.4818 -0.0135 -0.0152 0.0622 240 LYS H CD 4085 N N . VAL A 253 ? 0.1897 0.1979 0.3338 -0.0079 0.0039 0.0757 241 VAL H N 4086 C CA . VAL A 253 ? 0.2173 0.1969 0.3299 -0.0108 0.0198 0.0824 241 VAL H CA 4087 C C . VAL A 253 ? 0.2243 0.1885 0.3304 -0.0156 0.0130 0.0891 241 VAL H C 4088 O O . VAL A 253 ? 0.2590 0.2148 0.3196 -0.0107 0.0240 0.1001 241 VAL H O 4089 C CB . VAL A 253 ? 0.2109 0.1899 0.3030 -0.0002 0.0204 0.0691 241 VAL H CB 4090 C CG1 . VAL A 253 ? 0.2268 0.2245 0.2948 -0.0008 0.0232 0.0614 241 VAL H CG1 4091 C CG2 . VAL A 253 ? 0.2212 0.1964 0.3119 0.0289 0.0235 0.0530 241 VAL H CG2 4101 N N . ILE A 254 ? 0.2286 0.1751 0.3444 -0.0007 0.0027 0.0984 242 ILE H N 4102 C CA . ILE A 254 ? 0.2577 0.1973 0.3757 0.0026 0.0065 0.1204 242 ILE H CA 4103 C C . ILE A 254 ? 0.2904 0.2002 0.4038 -0.0014 0.0073 0.1406 242 ILE H C 4104 O O . ILE A 254 ? 0.3112 0.2324 0.4035 0.0132 0.0131 0.1535 242 ILE H O 4105 C CB . ILE A 254 ? 0.2434 0.2223 0.3833 0.0092 -0.0199 0.1266 242 ILE H CB 4106 C CG1 . ILE A 254 ? 0.2285 0.2668 0.3834 -0.0004 -0.0309 0.1330 242 ILE H CG1 4107 C CG2 . ILE A 254 ? 0.2688 0.2256 0.4036 0.0233 -0.0211 0.1293 242 ILE H CG2 4108 C CD1 . ILE A 254 ? 0.2224 0.2772 0.4014 0.0208 -0.0334 0.1344 242 ILE H CD1 4120 N N . ASP A 255 ? 0.3005 0.2094 0.4386 -0.0544 0.0124 0.1302 243 ASP H N 4121 C CA . ASP A 255 ? 0.3343 0.2418 0.4908 -0.1024 0.0324 0.1112 243 ASP H CA 4122 C C . ASP A 255 ? 0.3346 0.2646 0.5094 -0.1091 0.0406 0.1097 243 ASP H C 4123 O O . ASP A 255 ? 0.3596 0.2692 0.5249 -0.1254 0.0487 0.1132 243 ASP H O 4124 C CB . ASP A 255 ? 0.3850 0.2731 0.5301 -0.1072 0.0354 0.0882 243 ASP H CB 4125 C CG . ASP A 255 ? 0.4430 0.3054 0.5607 -0.0849 0.0323 0.0784 243 ASP H CG 4126 O OD1 . ASP A 255 ? 0.4625 0.3090 0.5743 -0.0612 0.0246 0.0802 243 ASP H OD1 4127 O OD2 . ASP A 255 ? 0.4706 0.3238 0.5730 -0.0808 0.0431 0.0683 243 ASP H OD2 4132 N N . GLN A 256 ? 0.3125 0.3001 0.5086 -0.0965 0.0377 0.1083 244 GLN H N 4133 C CA . GLN A 256 ? 0.2907 0.3330 0.5270 -0.0859 0.0528 0.1126 244 GLN H CA 4134 C C . GLN A 256 ? 0.2798 0.3606 0.5426 -0.0851 0.0757 0.1285 244 GLN H C 4135 O O . GLN A 256 ? 0.2935 0.3916 0.5338 -0.0577 0.0894 0.1197 244 GLN H O 4136 C CB . GLN A 256 ? 0.2869 0.3487 0.5259 -0.0539 0.0598 0.1113 244 GLN H CB 4139 N N . PHE A 257 ? 0.2776 0.3814 0.5775 -0.0849 0.0721 0.1448 245 PHE H N 4140 C CA . PHE A 257 ? 0.3179 0.4253 0.6113 -0.0613 0.0702 0.1585 245 PHE H CA 4141 C C . PHE A 257 ? 0.3538 0.4761 0.6391 -0.0554 0.0591 0.1662 245 PHE H C 4142 O O . PHE A 257 ? 0.3548 0.4928 0.6424 -0.0490 0.0564 0.1614 245 PHE H O 4143 C CB . PHE A 257 ? 0.3257 0.4286 0.6192 -0.0439 0.0818 0.1524 245 PHE H CB 4144 C CG . PHE A 257 ? 0.3193 0.4415 0.6228 -0.0177 0.0798 0.1467 245 PHE H CG 4145 C CD1 . PHE A 257 ? 0.3316 0.4561 0.6296 -0.0052 0.0838 0.1453 245 PHE H CD1 4146 C CD2 . PHE A 257 ? 0.3246 0.4471 0.6309 -0.0049 0.0681 0.1401 245 PHE H CD2 4147 C CE1 . PHE A 257 ? 0.3391 0.4571 0.6344 -0.0006 0.0830 0.1481 245 PHE H CE1 4148 C CE2 . PHE A 257 ? 0.3357 0.4516 0.6372 0.0114 0.0659 0.1412 245 PHE H CE2 4149 C CZ . PHE A 257 ? 0.3520 0.4569 0.6385 0.0012 0.0719 0.1423 245 PHE H CZ 4159 N N . GLY A 258 ? 0.3902 0.5066 0.6618 -0.0561 0.0508 0.1706 246 GLY H N 4160 C CA . GLY A 258 ? 0.4416 0.5386 0.6943 -0.0530 0.0524 0.1778 246 GLY H CA 4161 C C . GLY A 258 ? 0.4786 0.5687 0.7262 -0.0544 0.0451 0.1791 246 GLY H C 4162 O O . GLY A 258 ? 0.5062 0.5850 0.7421 -0.0495 0.0429 0.1795 246 GLY H O 4163 O OXT . GLY A 258 ? 0.4898 0.5763 0.7359 -0.0598 0.0485 0.1806 246 GLY H OXT 4167 C C . GLY B 1 ? 0.6362 0.4459 0.3686 0.0184 -0.0579 -0.0514 554 GLY I C 4168 O O . GLY B 1 ? 0.6555 0.4616 0.3689 -0.0063 -0.0512 -0.0701 554 GLY I O 4169 N N . ASP B 2 ? 0.6206 0.4283 0.3841 0.0390 -0.0404 -0.0547 555 ASP I N 4170 C CA . ASP B 2 ? 0.5953 0.4067 0.3662 0.0347 -0.0392 -0.0871 555 ASP I CA 4171 C C . ASP B 2 ? 0.5431 0.3770 0.3210 0.0330 -0.0692 -0.1208 555 ASP I C 4172 O O . ASP B 2 ? 0.5543 0.3767 0.3215 -0.0027 -0.0689 -0.1684 555 ASP I O 4173 C CB . ASP B 2 ? 0.6119 0.4195 0.3651 0.0209 -0.0446 -0.0807 555 ASP I CB 4174 N N . PHE B 3 ? 0.4715 0.3497 0.2550 0.0572 -0.1139 -0.1217 556 PHE I N 4175 C CA . PHE B 3 ? 0.4078 0.3376 0.2262 0.0956 -0.1140 -0.1199 556 PHE I CA 4176 C C . PHE B 3 ? 0.3925 0.3392 0.2118 0.0999 -0.0960 -0.1201 556 PHE I C 4177 O O . PHE B 3 ? 0.4058 0.3601 0.2181 0.1148 -0.0716 -0.1283 556 PHE I O 4178 C CB . PHE B 3 ? 0.3624 0.3388 0.2339 0.1239 -0.1211 -0.1242 556 PHE I CB 4179 C CG . PHE B 3 ? 0.3419 0.3408 0.2292 0.1295 -0.1275 -0.1114 556 PHE I CG 4180 C CD1 . PHE B 3 ? 0.3550 0.3446 0.2463 0.1381 -0.1313 -0.0954 556 PHE I CD1 4181 C CD2 . PHE B 3 ? 0.3189 0.3343 0.2425 0.1195 -0.1220 -0.1318 556 PHE I CD2 4182 C CE1 . PHE B 3 ? 0.3630 0.3443 0.2596 0.1287 -0.1353 -0.1103 556 PHE I CE1 4183 C CE2 . PHE B 3 ? 0.3127 0.3366 0.2497 0.1161 -0.1350 -0.1211 556 PHE I CE2 4184 C CZ . PHE B 3 ? 0.3476 0.3495 0.2556 0.1060 -0.1400 -0.1224 556 PHE I CZ 4185 N N . GLU B 4 ? 0.3732 0.3259 0.2013 0.0954 -0.0982 -0.1108 557 GLU I N 4186 C CA . GLU B 4 ? 0.3741 0.3282 0.1913 0.0873 -0.0868 -0.1089 557 GLU I CA 4187 C C . GLU B 4 ? 0.3955 0.3356 0.1991 0.1019 -0.0546 -0.1196 557 GLU I C 4188 O O . GLU B 4 ? 0.3893 0.3185 0.1976 0.1022 -0.0724 -0.1143 557 GLU I O 4189 C CB . GLU B 4 ? 0.3785 0.3235 0.1852 0.0924 -0.1009 -0.0906 557 GLU I CB 4190 C CG . GLU B 4 ? 0.3832 0.3145 0.1996 0.0820 -0.1081 -0.0739 557 GLU I CG 4191 C CD . GLU B 4 ? 0.3850 0.3137 0.1947 0.0672 -0.0979 -0.0992 557 GLU I CD 4192 O OE1 . GLU B 4 ? 0.3581 0.3543 0.1928 0.0698 -0.0996 -0.1046 557 GLU I OE1 4193 O OE2 . GLU B 4 ? 0.4098 0.2861 0.1953 0.0389 -0.0886 -0.0674 557 GLU I OE2 4194 N N . GLU B 5 ? 0.4389 0.3833 0.2117 0.0923 -0.0269 -0.1340 558 GLU I N 4195 C CA . GLU B 5 ? 0.4779 0.4229 0.2304 0.0836 -0.0052 -0.1324 558 GLU I CA 4196 C C . GLU B 5 ? 0.4972 0.4583 0.2331 0.0849 -0.0037 -0.1017 558 GLU I C 4197 O O . GLU B 5 ? 0.5174 0.4718 0.2208 0.0662 -0.0290 -0.0704 558 GLU I O 4198 C CB . GLU B 5 ? 0.4939 0.4224 0.2556 0.0715 0.0092 -0.1512 558 GLU I CB 4199 N N . ILE B 6 ? 0.4990 0.4701 0.2574 0.0879 0.0187 -0.1226 559 ILE I N 4200 C CA . ILE B 6 ? 0.5005 0.4789 0.2461 0.1004 0.0224 -0.1242 559 ILE I CA 4201 C C . ILE B 6 ? 0.5074 0.4966 0.2261 0.0985 0.0302 -0.1348 559 ILE I C 4202 O O . ILE B 6 ? 0.5208 0.5074 0.2268 0.0789 0.0389 -0.1455 559 ILE I O 4203 C CB . ILE B 6 ? 0.4930 0.4770 0.2341 0.1073 0.0337 -0.1146 559 ILE I CB 4204 C CG1 . ILE B 6 ? 0.4753 0.4838 0.2326 0.1163 0.0361 -0.1102 559 ILE I CG1 4205 C CG2 . ILE B 6 ? 0.5003 0.4674 0.2377 0.1038 0.0458 -0.1006 559 ILE I CG2 4206 C CD1 . ILE B 6 ? 0.4739 0.4931 0.2508 0.1138 0.0209 -0.1032 559 ILE I CD1 4207 N N . PRO B 7 ? 0.5054 0.5136 0.2205 0.1082 0.0436 -0.1064 560 PRO I N 4208 C CA . PRO B 7 ? 0.5076 0.5245 0.2115 0.1029 0.0419 -0.0935 560 PRO I CA 4209 C C . PRO B 7 ? 0.5132 0.5337 0.2025 0.0981 0.0656 -0.0899 560 PRO I C 4210 O O . PRO B 7 ? 0.5045 0.5218 0.2072 0.1083 0.0681 -0.0912 560 PRO I O 4211 C CB . PRO B 7 ? 0.5109 0.5311 0.2306 0.1097 0.0481 -0.0766 560 PRO I CB 4212 C CG . PRO B 7 ? 0.5191 0.5355 0.2520 0.1099 0.0540 -0.0829 560 PRO I CG 4213 C CD . PRO B 7 ? 0.5096 0.5207 0.2371 0.1138 0.0591 -0.0891 560 PRO I CD 4214 N N . GLU B 8 ? 0.5163 0.5499 0.1995 0.0920 0.0635 -0.0908 561 GLU I N 4215 C CA . GLU B 8 ? 0.5248 0.5552 0.2174 0.1087 0.0764 -0.0915 561 GLU I CA 4216 C C . GLU B 8 ? 0.5389 0.5728 0.2099 0.1097 0.0920 -0.0588 561 GLU I C 4217 O O . GLU B 8 ? 0.5338 0.5938 0.2107 0.1027 0.1031 -0.0395 561 GLU I O 4218 C CB . GLU B 8 ? 0.5332 0.5649 0.2468 0.1180 0.0720 -0.0916 561 GLU I CB 4219 N N . GLU B 9 ? 0.5638 0.5770 0.2024 0.1119 0.0897 -0.0371 562 GLU I N 4220 C CA . GLU B 9 ? 0.5835 0.6014 0.2011 0.1110 0.0863 -0.0033 562 GLU I CA 4221 C C . GLU B 9 ? 0.5553 0.6018 0.2103 0.1101 0.0942 0.0001 562 GLU I C 4222 O O . GLU B 9 ? 0.5667 0.6358 0.2432 0.0971 0.0916 -0.0053 562 GLU I O 4223 C CB . GLU B 9 ? 0.6334 0.6238 0.2276 0.1163 0.0767 0.0007 562 GLU I CB 4224 C CG . GLU B 9 ? 0.6756 0.6380 0.2536 0.1256 0.0558 -0.0094 562 GLU I CG 4225 C CD . GLU B 9 ? 0.7191 0.6540 0.2951 0.1226 0.0404 -0.0060 562 GLU I CD 4226 O OE1 . GLU B 9 ? 0.7392 0.6609 0.3373 0.1165 0.0418 -0.0034 562 GLU I OE1 4227 O OE2 . GLU B 9 ? 0.7338 0.6603 0.3103 0.1201 0.0246 0.0063 562 GLU I OE2 4228 N N . TYS B 10 ? 0.5119 0.5577 0.2011 0.1238 0.0989 -0.0066 563 TYS I N 4229 C CA . TYS B 10 ? 0.4997 0.5566 0.2103 0.1429 0.0949 -0.0115 563 TYS I CA 4230 C CB . TYS B 10 ? 0.4752 0.5247 0.2052 0.1520 0.0850 0.0078 563 TYS I CB 4231 C CG . TYS B 10 ? 0.4559 0.4788 0.1688 0.1493 0.0571 0.0252 563 TYS I CG 4232 C CD1 . TYS B 10 ? 0.4398 0.4441 0.1635 0.1269 0.0668 0.0482 563 TYS I CD1 4233 C CD2 . TYS B 10 ? 0.4548 0.4649 0.1620 0.1506 0.0461 0.0051 563 TYS I CD2 4234 C CE1 . TYS B 10 ? 0.4407 0.4261 0.1560 0.1129 0.0560 0.0492 563 TYS I CE1 4235 C CE2 . TYS B 10 ? 0.4504 0.4460 0.1534 0.1324 0.0373 -0.0118 563 TYS I CE2 4236 C CZ . TYS B 10 ? 0.4421 0.4208 0.1403 0.1128 0.0282 0.0101 563 TYS I CZ 4237 O OH . TYS B 10 ? 0.4423 0.3834 0.1333 0.1108 -0.0096 0.0094 563 TYS I OH 4238 S S . TYS B 10 ? 0.4156 0.3596 0.1525 0.1193 -0.0298 0.0445 563 TYS I S 4239 O O1 . TYS B 10 ? 0.4052 0.3688 0.1709 0.1169 -0.0557 0.0568 563 TYS I O1 4240 O O2 . TYS B 10 ? 0.4403 0.3414 0.1727 0.0924 -0.0448 0.0636 563 TYS I O2 4241 O O3 . TYS B 10 ? 0.3689 0.3322 0.1511 0.1133 -0.0023 0.0724 563 TYS I O3 4242 C C . TYS B 10 ? 0.5191 0.5835 0.2270 0.1477 0.1071 -0.0259 563 TYS I C 4243 O O . TYS B 10 ? 0.5223 0.5819 0.2203 0.1463 0.1014 -0.0268 563 TYS I O 4244 N N . LEU B 11 ? 0.5438 0.6164 0.2621 0.1566 0.1150 -0.0347 564 LEU I N 4245 C CA . LEU B 11 ? 0.5703 0.6525 0.3374 0.1402 0.1177 -0.0214 564 LEU I CA 4246 C C . LEU B 11 ? 0.5820 0.6773 0.3883 0.1210 0.1188 -0.0138 564 LEU I C 4247 O O . LEU B 11 ? 0.5867 0.6826 0.4164 0.1209 0.1055 -0.0124 564 LEU I O 4248 C CB . LEU B 11 ? 0.5895 0.6622 0.3738 0.1422 0.1088 -0.0176 564 LEU I CB 4249 C CG . LEU B 11 ? 0.5939 0.6654 0.3975 0.1389 0.0964 -0.0085 564 LEU I CG 4250 C CD2 . LEU B 11 ? 0.6003 0.6679 0.4166 0.1380 0.0867 0.0004 564 LEU I CD2 4251 N N . GLN B 12 ? 0.5910 0.6977 0.4087 0.0998 0.1316 -0.0062 565 GLN I N 4252 C CA . GLN B 12 ? 0.5992 0.7115 0.4251 0.0896 0.1426 -0.0041 565 GLN I CA 4253 C C . GLN B 12 ? 0.6093 0.7237 0.4414 0.0840 0.1282 -0.0050 565 GLN I C 4254 O O . GLN B 12 ? 0.6184 0.7341 0.4675 0.0765 0.1071 -0.0009 565 GLN I O 4255 C CB . GLN B 12 ? 0.6028 0.7120 0.4292 0.0861 0.1538 0.0054 565 GLN I CB 4256 N N . GLU C 1 C 0.5951 0.3877 0.4549 -0.0563 0.0871 0.0164 1 GLU L N 4257 C CA . GLU C 1 C 0.5700 0.3393 0.4167 -0.0821 0.0857 0.0226 1 GLU L CA 4258 C C . GLU C 1 C 0.5069 0.2776 0.4023 -0.1247 0.0351 0.0404 1 GLU L C 4259 O O . GLU C 1 C 0.4659 0.2472 0.3733 -0.1573 -0.0312 0.0354 1 GLU L O 4260 C CB . GLU C 1 C 0.5974 0.3429 0.4033 -0.0750 0.1177 0.0099 1 GLU L CB 4262 N N . ALA C 2 B 0.4864 0.2434 0.4129 -0.1373 0.0470 0.0463 1 ALA L N 4263 C CA . ALA C 2 B 0.4668 0.1838 0.3876 -0.1130 0.0389 0.0272 1 ALA L CA 4264 C C . ALA C 2 B 0.4254 0.1401 0.3000 -0.0704 0.0004 0.0308 1 ALA L C 4265 O O . ALA C 2 B 0.4241 0.1490 0.2543 -0.0626 -0.0138 0.0208 1 ALA L O 4266 C CB . ALA C 2 B 0.4889 0.1920 0.4232 -0.1115 0.0519 0.0280 1 ALA L CB 4272 N N . ASP C 3 A 0.3947 0.1192 0.2663 -0.0264 0.0003 0.0493 1 ASP L N 4273 C CA . ASP C 3 A 0.3453 0.1173 0.2215 0.0411 -0.0454 0.0407 1 ASP L CA 4274 C C . ASP C 3 A 0.2625 0.0977 0.1692 0.0335 -0.0485 0.0174 1 ASP L C 4275 O O . ASP C 3 A 0.2532 0.1253 0.1535 0.0600 -0.0477 0.0125 1 ASP L O 4276 C CB . ASP C 3 A 0.4177 0.1566 0.2672 0.0541 -0.0655 0.0545 1 ASP L CB 4277 C CG . ASP C 3 A 0.4584 0.2051 0.2976 0.0260 -0.0831 0.0244 1 ASP L CG 4278 O OD1 . ASP C 3 A 0.4623 0.2487 0.2994 0.0355 -0.0928 0.0057 1 ASP L OD1 4279 O OD2 . ASP C 3 A 0.4837 0.2076 0.2956 0.0176 -0.1044 0.0185 1 ASP L OD2 4284 N N . CYS C 4 ? 0.2109 0.0786 0.1842 0.0220 -0.0316 0.0325 1 CYS L N 4285 C CA . CYS C 4 ? 0.1759 0.0782 0.1720 0.0142 -0.0347 0.0209 1 CYS L CA 4286 C C . CYS C 4 ? 0.1542 0.0619 0.1429 0.0187 -0.0441 0.0027 1 CYS L C 4287 O O . CYS C 4 ? 0.1588 0.0667 0.1519 0.0221 -0.0509 0.0062 1 CYS L O 4288 C CB . CYS C 4 ? 0.1649 0.1013 0.2039 0.0143 -0.0324 0.0280 1 CYS L CB 4289 S SG . CYS C 4 ? 0.1719 0.0834 0.2226 -0.0007 -0.0561 0.0236 1 CYS L SG 4294 N N . GLY C 5 ? 0.1543 0.0693 0.1131 0.0217 -0.0412 0.0066 2 GLY L N 4295 C CA . GLY C 5 ? 0.1529 0.0622 0.1137 0.0226 -0.0447 0.0079 2 GLY L CA 4296 C C . GLY C 5 ? 0.1410 0.0631 0.1126 0.0237 -0.0449 -0.0051 2 GLY L C 4297 O O . GLY C 5 ? 0.1492 0.0786 0.1128 0.0256 -0.0379 0.0021 2 GLY L O 4301 N N . LEU C 6 ? 0.1442 0.0668 0.1241 0.0238 -0.0390 0.0150 3 LEU L N 4302 C CA . LEU C 6 ? 0.1445 0.0697 0.1173 0.0203 -0.0467 0.0077 3 LEU L CA 4303 C C . LEU C 6 ? 0.1451 0.0809 0.1185 0.0229 -0.0372 0.0154 3 LEU L C 4304 O O . LEU C 6 ? 0.1854 0.1188 0.1272 0.0047 -0.0341 0.0199 3 LEU L O 4305 C CB . LEU C 6 ? 0.1639 0.0736 0.1575 0.0234 -0.0541 0.0046 3 LEU L CB 4306 C CG . LEU C 6 ? 0.1779 0.0928 0.1773 0.0226 -0.0553 -0.0197 3 LEU L CG 4307 C CD1 . LEU C 6 ? 0.2125 0.0956 0.2195 0.0107 -0.0388 -0.0229 3 LEU L CD1 4308 C CD2 . LEU C 6 ? 0.1986 0.1184 0.1788 0.0115 -0.0444 -0.0324 3 LEU L CD2 4320 N N . ARG C 7 ? 0.1333 0.0791 0.1150 0.0286 -0.0324 0.0003 4 ARG L N 4321 C CA . ARG C 7 ? 0.1483 0.0810 0.1111 0.0367 -0.0286 0.0004 4 ARG L CA 4322 C C . ARG C 7 ? 0.1513 0.0721 0.1131 0.0342 -0.0336 -0.0016 4 ARG L C 4323 O O . ARG C 7 ? 0.1532 0.0737 0.1110 0.0428 -0.0328 -0.0057 4 ARG L O 4324 C CB . ARG C 7 ? 0.1442 0.0726 0.0960 0.0301 -0.0348 -0.0005 4 ARG L CB 4325 C CG . ARG C 7 ? 0.1303 0.0710 0.1011 0.0346 -0.0288 -0.0030 4 ARG L CG 4326 C CD . ARG C 7 ? 0.1372 0.0726 0.1056 0.0388 -0.0396 -0.0056 4 ARG L CD 4327 N NE . ARG C 7 ? 0.1293 0.0718 0.1010 0.0342 -0.0323 -0.0145 4 ARG L NE 4328 C CZ . ARG C 7 ? 0.1305 0.0759 0.1004 0.0370 -0.0408 -0.0085 4 ARG L CZ 4329 N NH1 . ARG C 7 ? 0.1303 0.0834 0.1107 0.0288 -0.0291 -0.0124 4 ARG L NH1 4330 N NH2 . ARG C 7 ? 0.1269 0.0703 0.1031 0.0296 -0.0380 -0.0025 4 ARG L NH2 4344 N N . PRO C 8 ? 0.1647 0.0879 0.0987 0.0417 -0.0338 0.0011 5 PRO L N 4345 C CA . PRO C 8 ? 0.1818 0.0917 0.1119 0.0466 -0.0353 0.0030 5 PRO L CA 4346 C C . PRO C 8 ? 0.1812 0.0876 0.1090 0.0537 -0.0440 0.0001 5 PRO L C 4347 O O . PRO C 8 ? 0.1858 0.0919 0.1374 0.0588 -0.0428 -0.0005 5 PRO L O 4348 C CB . PRO C 8 ? 0.1895 0.1235 0.1127 0.0384 -0.0251 0.0068 5 PRO L CB 4349 C CG . PRO C 8 ? 0.1874 0.1179 0.1155 0.0371 -0.0138 0.0050 5 PRO L CG 4350 C CD . PRO C 8 ? 0.1766 0.0973 0.1187 0.0407 -0.0259 -0.0002 5 PRO L CD 4358 N N . LEU C 9 ? 0.1685 0.0935 0.1094 0.0590 -0.0416 -0.0030 6 LEU L N 4359 C CA . LEU C 9 ? 0.1545 0.0908 0.1262 0.0496 -0.0460 -0.0054 6 LEU L CA 4360 C C . LEU C 9 ? 0.1461 0.0969 0.1199 0.0503 -0.0422 -0.0058 6 LEU L C 4361 O O . LEU C 9 ? 0.1551 0.1135 0.1240 0.0475 -0.0449 -0.0161 6 LEU L O 4362 C CB . LEU C 9 ? 0.1576 0.0971 0.1300 0.0441 -0.0497 -0.0068 6 LEU L CB 4363 C CG . LEU C 9 ? 0.1786 0.1232 0.1123 0.0572 -0.0573 -0.0156 6 LEU L CG 4364 C CD1 . LEU C 9 ? 0.2210 0.1295 0.1296 0.0556 -0.0482 -0.0196 6 LEU L CD1 4365 C CD2 . LEU C 9 ? 0.2388 0.1493 0.1251 0.0802 -0.0557 -0.0066 6 LEU L CD2 4377 N N . PHE C 10 ? 0.1511 0.0885 0.1092 0.0539 -0.0405 -0.0070 7 PHE L N 4378 C CA . PHE C 10 ? 0.1331 0.0904 0.1119 0.0471 -0.0388 -0.0082 7 PHE L CA 4379 C C . PHE C 10 ? 0.1610 0.0796 0.0983 0.0420 -0.0360 -0.0099 7 PHE L C 4380 O O . PHE C 10 ? 0.1653 0.0832 0.1322 0.0566 -0.0390 -0.0111 7 PHE L O 4381 C CB . PHE C 10 ? 0.1301 0.0909 0.1102 0.0485 -0.0474 -0.0063 7 PHE L CB 4382 C CG . PHE C 10 ? 0.1348 0.0904 0.1123 0.0478 -0.0456 -0.0087 7 PHE L CG 4383 C CD1 . PHE C 10 ? 0.1405 0.1016 0.1185 0.0416 -0.0397 -0.0122 7 PHE L CD1 4384 C CD2 . PHE C 10 ? 0.1383 0.0865 0.1311 0.0439 -0.0446 -0.0168 7 PHE L CD2 4385 C CE1 . PHE C 10 ? 0.1609 0.0985 0.1283 0.0280 -0.0516 -0.0101 7 PHE L CE1 4386 C CE2 . PHE C 10 ? 0.1503 0.0965 0.1394 0.0512 -0.0544 -0.0163 7 PHE L CE2 4387 C CZ . PHE C 10 ? 0.1713 0.0931 0.1320 0.0397 -0.0585 -0.0093 7 PHE L CZ 4397 N N . GLU C 11 ? 0.1573 0.0796 0.1109 0.0481 -0.0482 -0.0078 8 GLU L N 4398 C CA . GLU C 11 ? 0.1644 0.0773 0.1126 0.0441 -0.0479 -0.0134 8 GLU L CA 4399 C C . GLU C 11 ? 0.1744 0.0856 0.1251 0.0441 -0.0429 -0.0090 8 GLU L C 4400 O O . GLU C 11 ? 0.1888 0.0821 0.1307 0.0561 -0.0345 -0.0215 8 GLU L O 4401 C CB . GLU C 11 ? 0.1590 0.0819 0.1227 0.0398 -0.0478 -0.0101 8 GLU L CB 4402 C CG . GLU C 11 ? 0.1493 0.0858 0.1123 0.0379 -0.0411 -0.0146 8 GLU L CG 4403 C CD . GLU C 11 ? 0.1375 0.0737 0.1102 0.0437 -0.0386 -0.0110 8 GLU L CD 4404 O OE1 . GLU C 11 ? 0.1439 0.0797 0.1139 0.0402 -0.0337 -0.0134 8 GLU L OE1 4405 O OE2 . GLU C 11 ? 0.1509 0.0745 0.1122 0.0409 -0.0338 -0.0074 8 GLU L OE2 4412 N N . LYS C 12 ? 0.1903 0.0840 0.1191 0.0488 -0.0385 -0.0083 9 LYS L N 4413 C CA . LYS C 12 ? 0.2164 0.0924 0.1229 0.0452 -0.0458 -0.0074 9 LYS L CA 4414 C C . LYS C 12 ? 0.2200 0.0921 0.1453 0.0663 -0.0255 -0.0095 9 LYS L C 4415 O O . LYS C 12 ? 0.2628 0.1024 0.2009 0.0736 0.0059 0.0119 9 LYS L O 4416 C CB . LYS C 12 ? 0.2239 0.0989 0.1323 0.0377 -0.0508 0.0147 9 LYS L CB 4417 C CG . LYS C 12 ? 0.2453 0.1269 0.1825 0.0482 -0.0444 0.0142 9 LYS L CG 4422 N N . LYS C 13 ? 0.1977 0.1030 0.1473 0.0695 -0.0526 -0.0200 10 LYS L N 4423 C CA A LYS C 13 ? 0.1959 0.1340 0.1612 0.0811 -0.0666 -0.0221 10 LYS L CA 4424 C CA B LYS C 13 ? 0.2051 0.1209 0.1676 0.0785 -0.0645 -0.0298 10 LYS L CA 4425 C C . LYS C 13 ? 0.1869 0.1291 0.1668 0.0774 -0.0676 -0.0259 10 LYS L C 4426 O O . LYS C 13 ? 0.1913 0.1501 0.1991 0.0808 -0.0776 -0.0212 10 LYS L O 4427 C CB A LYS C 13 ? 0.1877 0.1731 0.1845 0.0818 -0.0774 -0.0100 10 LYS L CB 4428 C CB B LYS C 13 ? 0.2042 0.1215 0.1927 0.0767 -0.0652 -0.0253 10 LYS L CB 4429 C CG A LYS C 13 ? 0.2031 0.1853 0.1677 0.0722 -0.0789 -0.0203 10 LYS L CG 4430 C CG B LYS C 13 ? 0.2022 0.1098 0.2076 0.0579 -0.0662 -0.0165 10 LYS L CG 4431 C CD A LYS C 13 ? 0.2332 0.2069 0.1235 0.0450 -0.0672 -0.0426 10 LYS L CD 4432 C CD B LYS C 13 ? 0.1963 0.1493 0.2287 0.0362 -0.0709 -0.0261 10 LYS L CD 4433 C CE A LYS C 13 ? 0.2406 0.1801 0.1352 0.0889 -0.0642 -0.0219 10 LYS L CE 4434 C CE B LYS C 13 ? 0.2019 0.1455 0.2448 0.0564 -0.1060 -0.0142 10 LYS L CE 4435 N NZ A LYS C 13 ? 0.2431 0.1924 0.1778 0.0830 -0.0794 -0.0113 10 LYS L NZ 4436 N NZ B LYS C 13 ? 0.1991 0.1460 0.2404 0.0736 -0.0839 -0.0078 10 LYS L NZ 4463 N N . SER C 14 ? 0.1777 0.1123 0.1550 0.0720 -0.0559 -0.0263 11 SER L N 4464 C CA . SER C 14 ? 0.1768 0.1151 0.1678 0.0724 -0.0552 -0.0264 11 SER L CA 4465 C C . SER C 14 ? 0.1683 0.1313 0.1822 0.0722 -0.0410 -0.0281 11 SER L C 4466 O O . SER C 14 ? 0.1834 0.1504 0.2359 0.0560 -0.0112 -0.0543 11 SER L O 4467 C CB . SER C 14 ? 0.2141 0.1296 0.1668 0.0803 -0.0438 -0.0185 11 SER L CB 4468 O OG . SER C 14 ? 0.2495 0.1423 0.1810 0.0862 -0.0355 -0.0112 11 SER L OG 4474 N N . LEU C 15 ? 0.1438 0.1167 0.1619 0.0561 -0.0355 -0.0228 12 LEU L N 4475 C CA . LEU C 15 ? 0.1480 0.1142 0.1624 0.0559 -0.0444 -0.0152 12 LEU L CA 4476 C C . LEU C 15 ? 0.1529 0.1118 0.1628 0.0595 -0.0440 -0.0050 12 LEU L C 4477 O O . LEU C 15 ? 0.1538 0.1398 0.1564 0.0690 -0.0403 0.0104 12 LEU L O 4478 C CB . LEU C 15 ? 0.1579 0.1118 0.1657 0.0490 -0.0480 -0.0116 12 LEU L CB 4479 C CG . LEU C 15 ? 0.1798 0.1358 0.1808 0.0572 -0.0551 -0.0101 12 LEU L CG 4480 C CD1 . LEU C 15 ? 0.2165 0.1775 0.1897 0.0866 -0.0679 0.0039 12 LEU L CD1 4481 C CD2 . LEU C 15 ? 0.1775 0.1452 0.2114 0.0558 -0.0652 0.0144 12 LEU L CD2 4493 N N . GLU C 16 ? 0.1464 0.1210 0.1923 0.0515 -0.0385 -0.0040 13 GLU L N 4494 C CA A GLU C 16 ? 0.1615 0.1199 0.1868 0.0465 -0.0515 -0.0114 13 GLU L CA 4495 C CA B GLU C 16 ? 0.1638 0.1398 0.1863 0.0300 -0.0471 0.0051 13 GLU L CA 4496 C C . GLU C 16 ? 0.1383 0.1294 0.1718 0.0437 -0.0605 0.0103 13 GLU L C 4497 O O . GLU C 16 ? 0.1558 0.1336 0.1981 0.0545 -0.0607 -0.0035 13 GLU L O 4498 C CB A GLU C 16 ? 0.2238 0.1294 0.1937 0.0471 -0.0371 -0.0336 13 GLU L CB 4499 C CB B GLU C 16 ? 0.2265 0.1849 0.1897 0.0094 -0.0278 0.0116 13 GLU L CB 4500 C CG A GLU C 16 ? 0.2612 0.1611 0.1901 0.0643 -0.0627 -0.0379 13 GLU L CG 4501 C CG B GLU C 16 ? 0.2525 0.2170 0.2067 0.0320 -0.0316 0.0095 13 GLU L CG 4502 C CD A GLU C 16 ? 0.3183 0.2225 0.2352 0.0535 -0.0455 -0.0414 13 GLU L CD 4503 C CD B GLU C 16 ? 0.3070 0.2366 0.2214 0.0726 0.0001 0.0210 13 GLU L CD 4504 O OE1 A GLU C 16 ? 0.3090 0.2726 0.2496 0.0742 -0.0384 -0.0389 13 GLU L OE1 4505 O OE1 B GLU C 16 ? 0.3340 0.2905 0.2075 0.0505 -0.0551 0.0031 13 GLU L OE1 4506 O OE2 A GLU C 16 ? 0.3603 0.2454 0.2623 0.0584 -0.0460 -0.0453 13 GLU L OE2 4507 O OE2 B GLU C 16 ? 0.3301 0.2184 0.2076 0.1171 0.0545 0.0219 13 GLU L OE2 4520 N N . ASP C 17 ? 0.1347 0.1216 0.1387 0.0338 -0.0482 0.0035 14 ASP L N 4521 C CA . ASP C 17 ? 0.1409 0.1168 0.1261 0.0276 -0.0438 -0.0044 14 ASP L CA 4522 C C . ASP C 17 ? 0.1407 0.1223 0.1399 0.0289 -0.0499 0.0011 14 ASP L C 4523 O O . ASP C 17 ? 0.1374 0.1307 0.1460 0.0244 -0.0360 0.0045 14 ASP L O 4524 C CB . ASP C 17 ? 0.1274 0.1255 0.1388 0.0312 -0.0349 0.0073 14 ASP L CB 4525 C CG . ASP C 17 ? 0.1269 0.0951 0.1346 0.0291 -0.0310 -0.0024 14 ASP L CG 4526 O OD1 . ASP C 17 ? 0.1304 0.1122 0.1267 0.0277 -0.0359 0.0038 14 ASP L OD1 4527 O OD2 . ASP C 17 ? 0.1418 0.0876 0.1314 0.0328 -0.0308 0.0103 14 ASP L OD2 4532 N N . LYS C 18 A 0.1540 0.1356 0.1615 0.0095 -0.0646 0.0053 14 LYS L N 4533 C CA . LYS C 18 A 0.1770 0.1677 0.1897 -0.0203 -0.0886 0.0042 14 LYS L CA 4534 C C . LYS C 18 A 0.1506 0.1461 0.1831 0.0017 -0.0632 0.0074 14 LYS L C 4535 O O . LYS C 18 A 0.1478 0.1737 0.2223 -0.0104 -0.0458 0.0306 14 LYS L O 4536 C CB . LYS C 18 A 0.2472 0.2418 0.2245 -0.0662 -0.1201 0.0093 14 LYS L CB 4537 C CG . LYS C 18 A 0.2943 0.3196 0.2722 -0.0804 -0.1267 0.0060 14 LYS L CG 4538 C CD . LYS C 18 A 0.3424 0.3665 0.3147 -0.0746 -0.1175 0.0001 14 LYS L CD 4539 C CE . LYS C 18 A 0.3792 0.3870 0.3410 -0.0552 -0.1022 0.0073 14 LYS L CE 4548 N N . THR C 19 B 0.1458 0.1154 0.1644 0.0084 -0.0479 0.0064 14 THR L N 4549 C CA . THR C 19 B 0.1490 0.1184 0.1637 0.0048 -0.0414 0.0173 14 THR L CA 4550 C C . THR C 19 B 0.1393 0.0972 0.1450 0.0195 -0.0238 0.0238 14 THR L C 4551 O O . THR C 19 B 0.1593 0.1064 0.1513 0.0192 -0.0348 0.0179 14 THR L O 4552 C CB . THR C 19 B 0.1717 0.1151 0.1985 -0.0039 -0.0446 0.0122 14 THR L CB 4553 O OG1 . THR C 19 B 0.1783 0.1054 0.1846 0.0223 -0.0431 0.0055 14 THR L OG1 4554 C CG2 . THR C 19 B 0.2041 0.1206 0.2560 -0.0014 -0.0358 0.0162 14 THR L CG2 4562 N N . GLU C 20 C 0.1231 0.1044 0.1342 0.0261 -0.0348 0.0149 14 GLU L N 4563 C CA . GLU C 20 C 0.1158 0.1082 0.1175 0.0161 -0.0228 0.0022 14 GLU L CA 4564 C C . GLU C 20 C 0.1189 0.1011 0.1314 0.0113 -0.0270 0.0096 14 GLU L C 4565 O O . GLU C 20 C 0.1354 0.1001 0.1253 0.0091 -0.0269 0.0133 14 GLU L O 4566 C CB . GLU C 20 C 0.1274 0.0987 0.1126 0.0191 -0.0243 0.0122 14 GLU L CB 4567 C CG . GLU C 20 C 0.1332 0.1024 0.1219 0.0157 -0.0268 0.0050 14 GLU L CG 4568 C CD . GLU C 20 C 0.1336 0.1036 0.1323 0.0253 -0.0358 0.0007 14 GLU L CD 4569 O OE1 . GLU C 20 C 0.1596 0.1070 0.1315 0.0130 -0.0348 0.0049 14 GLU L OE1 4570 O OE2 . GLU C 20 C 0.1397 0.1035 0.1295 0.0326 -0.0347 0.0050 14 GLU L OE2 4577 N N . ARG C 21 D 0.1323 0.1157 0.1233 0.0226 -0.0263 0.0053 14 ARG L N 4578 C CA . ARG C 21 D 0.1375 0.1318 0.1355 0.0429 -0.0224 0.0048 14 ARG L CA 4579 C C . ARG C 21 D 0.1428 0.1356 0.1264 0.0279 -0.0188 0.0098 14 ARG L C 4580 O O . ARG C 21 D 0.1408 0.1427 0.1334 0.0241 -0.0154 0.0124 14 ARG L O 4581 C CB . ARG C 21 D 0.1637 0.1856 0.1529 0.0640 -0.0095 0.0134 14 ARG L CB 4582 C CG . ARG C 21 D 0.2006 0.2801 0.1840 0.0954 -0.0082 0.0302 14 ARG L CG 4583 C CD . ARG C 21 D 0.2694 0.3403 0.2128 0.1266 0.0025 0.0525 14 ARG L CD 4584 N NE . ARG C 21 D 0.3588 0.3658 0.2690 0.1577 0.0195 0.0359 14 ARG L NE 4585 C CZ . ARG C 21 D 0.4834 0.3877 0.3263 0.1283 0.0450 0.0250 14 ARG L CZ 4586 N NH1 . ARG C 21 D 0.5169 0.4088 0.3594 0.1184 0.0364 0.0273 14 ARG L NH1 4587 N NH2 . ARG C 21 D 0.5349 0.3913 0.3446 0.1236 0.0627 0.0079 14 ARG L NH2 4601 N N . GLU C 22 E 0.1411 0.1174 0.1284 0.0212 -0.0306 0.0191 14 GLU L N 4602 C CA . GLU C 22 E 0.1366 0.1242 0.1429 0.0021 -0.0215 0.0182 14 GLU L CA 4603 C C . GLU C 22 E 0.1511 0.1034 0.1273 0.0175 -0.0136 0.0147 14 GLU L C 4604 O O . GLU C 22 E 0.1509 0.1216 0.1261 0.0127 -0.0172 0.0233 14 GLU L O 4605 C CB . GLU C 22 E 0.1462 0.1222 0.1861 -0.0009 -0.0323 0.0198 14 GLU L CB 4606 C CG . GLU C 22 E 0.1732 0.1341 0.1912 -0.0005 -0.0183 0.0256 14 GLU L CG 4607 C CD . GLU C 22 E 0.1933 0.1285 0.1931 0.0014 -0.0458 0.0186 14 GLU L CD 4608 O OE1 . GLU C 22 E 0.2254 0.1295 0.2044 -0.0057 -0.0375 0.0207 14 GLU L OE1 4609 O OE2 . GLU C 22 E 0.1902 0.1274 0.2180 0.0042 -0.0513 0.0202 14 GLU L OE2 4616 N N . LEU C 23 F 0.1421 0.0972 0.1168 0.0127 -0.0229 0.0146 14 LEU L N 4617 C CA . LEU C 23 F 0.1429 0.0877 0.1332 0.0300 -0.0156 0.0145 14 LEU L CA 4618 C C . LEU C 23 F 0.1306 0.0954 0.1278 0.0221 -0.0140 0.0195 14 LEU L C 4619 O O . LEU C 23 F 0.1322 0.0941 0.1283 0.0200 -0.0158 0.0082 14 LEU L O 4620 C CB . LEU C 23 F 0.1472 0.0934 0.1304 0.0312 -0.0073 0.0080 14 LEU L CB 4621 C CG . LEU C 23 F 0.2040 0.1069 0.1617 0.0141 0.0201 0.0010 14 LEU L CG 4622 C CD1 . LEU C 23 F 0.2316 0.1178 0.1549 0.0240 0.0350 -0.0094 14 LEU L CD1 4623 C CD2 . LEU C 23 F 0.2202 0.1345 0.1664 0.0369 0.0053 0.0094 14 LEU L CD2 4635 N N . LEU C 24 G 0.1417 0.0965 0.1203 0.0283 -0.0090 0.0064 14 LEU L N 4636 C CA . LEU C 24 G 0.1463 0.1019 0.1259 0.0306 -0.0091 0.0101 14 LEU L CA 4637 C C . LEU C 24 G 0.1492 0.0947 0.1213 0.0329 -0.0082 -0.0006 14 LEU L C 4638 O O . LEU C 24 G 0.1703 0.0885 0.1233 0.0230 -0.0079 -0.0035 14 LEU L O 4639 C CB . LEU C 24 G 0.1717 0.1098 0.1322 0.0444 -0.0050 0.0231 14 LEU L CB 4640 C CG . LEU C 24 G 0.2130 0.1167 0.1433 0.0528 0.0055 0.0168 14 LEU L CG 4641 C CD1 . LEU C 24 G 0.2422 0.1192 0.1594 0.0307 0.0122 -0.0048 14 LEU L CD1 4642 C CD2 . LEU C 24 G 0.2548 0.1508 0.1837 0.0840 0.0156 0.0189 14 LEU L CD2 4654 N N . GLU C 25 H 0.1299 0.1046 0.1284 0.0251 -0.0051 0.0090 14 GLU L N 4655 C CA . GLU C 25 H 0.1428 0.1283 0.1318 0.0165 -0.0041 0.0218 14 GLU L CA 4656 C C . GLU C 25 H 0.1576 0.1223 0.1306 0.0288 0.0008 0.0276 14 GLU L C 4657 O O . GLU C 25 H 0.1656 0.1603 0.1275 0.0389 -0.0022 0.0285 14 GLU L O 4658 C CB . GLU C 25 H 0.1463 0.1545 0.1278 0.0142 0.0009 0.0169 14 GLU L CB 4659 C CG . GLU C 25 H 0.1309 0.1943 0.1435 0.0297 -0.0065 0.0173 14 GLU L CG 4660 C CD . GLU C 25 H 0.1624 0.2209 0.1759 0.0372 -0.0114 0.0171 14 GLU L CD 4661 O OE1 . GLU C 25 H 0.1994 0.2264 0.2472 0.0005 -0.0463 0.0080 14 GLU L OE1 4662 O OE2 . GLU C 25 H 0.1630 0.2825 0.1770 0.0376 -0.0051 0.0159 14 GLU L OE2 4669 N N . SER C 26 I 0.1513 0.1073 0.1134 0.0248 -0.0151 0.0153 14 SER L N 4670 C CA . SER C 26 I 0.1496 0.0960 0.1366 0.0187 -0.0101 0.0175 14 SER L CA 4671 C C . SER C 26 I 0.1585 0.0936 0.1502 0.0172 -0.0285 0.0105 14 SER L C 4672 O O . SER C 26 I 0.1885 0.1106 0.1565 0.0226 -0.0389 0.0062 14 SER L O 4673 C CB . SER C 26 I 0.1533 0.0890 0.1488 0.0192 -0.0232 0.0252 14 SER L CB 4674 O OG . SER C 26 I 0.1566 0.0981 0.1369 0.0268 -0.0200 0.0207 14 SER L OG 4680 N N . TYR C 27 J 0.1579 0.0953 0.1657 0.0221 -0.0290 -0.0035 14 TYR L N 4681 C CA . TYR C 27 J 0.1792 0.0959 0.1857 0.0153 -0.0158 -0.0112 14 TYR L CA 4682 C C . TYR C 27 J 0.2351 0.1200 0.2014 0.0208 0.0127 -0.0192 14 TYR L C 4683 O O . TYR C 27 J 0.2658 0.1049 0.2388 0.0157 0.0574 -0.0137 14 TYR L O 4684 C CB . TYR C 27 J 0.1635 0.0937 0.1855 0.0257 -0.0127 -0.0130 14 TYR L CB 4685 C CG . TYR C 27 J 0.1583 0.0857 0.1748 0.0159 -0.0101 -0.0082 14 TYR L CG 4686 C CD1 . TYR C 27 J 0.1555 0.0903 0.1534 0.0222 -0.0192 -0.0061 14 TYR L CD1 4687 C CD2 . TYR C 27 J 0.1667 0.0896 0.1912 0.0149 -0.0035 0.0136 14 TYR L CD2 4688 C CE1 . TYR C 27 J 0.1471 0.0777 0.1611 0.0251 -0.0154 -0.0021 14 TYR L CE1 4689 C CE2 . TYR C 27 J 0.1649 0.0824 0.1903 0.0086 0.0118 0.0165 14 TYR L CE2 4690 C CZ . TYR C 27 J 0.1491 0.0805 0.1763 0.0267 0.0008 0.0012 14 TYR L CZ 4691 O OH . TYR C 27 J 0.1405 0.0781 0.1826 0.0237 -0.0102 0.0121 14 TYR L OH 4701 N N . ILE C 28 K 0.3092 0.2075 0.1870 0.0732 0.0037 -0.0336 14 ILE L N 4702 C CA . ILE C 28 K 0.3808 0.3418 0.1913 0.0418 0.0339 -0.0640 14 ILE L CA 4703 C C . ILE C 28 K 0.4507 0.4797 0.2589 -0.0235 0.0792 -0.1106 14 ILE L C 4704 O O . ILE C 28 K 0.5050 0.4988 0.2788 -0.0419 0.1044 -0.1218 14 ILE L O 4705 C CB . ILE C 28 K 0.4113 0.3731 0.1919 0.0302 0.0542 -0.0511 14 ILE L CB 4706 C CG1 . ILE C 28 K 0.4438 0.4044 0.2607 0.0524 0.0726 -0.0509 14 ILE L CG1 4707 C CG2 . ILE C 28 K 0.4302 0.3742 0.2139 0.0017 0.0431 -0.0520 14 ILE L CG2 4708 C CD1 . ILE C 28 K 0.4666 0.4342 0.3009 0.0592 0.0756 -0.0450 14 ILE L CD1 4709 O OXT . ILE C 28 K 0.4819 0.5723 0.3162 -0.0432 0.0600 -0.1429 14 ILE L OXT 4721 I I . IOD D . ? 0.1671 0.1588 0.1948 0.0180 -0.0494 -0.0227 1247 IOD H I 4722 C C1 . GOL E . ? 0.3228 0.2149 0.2714 0.0550 -0.0550 -0.0875 1248 GOL H C1 4723 O O1 . GOL E . ? 0.3061 0.1998 0.2108 0.0313 -0.0493 -0.0729 1248 GOL H O1 4724 C C2 . GOL E . ? 0.3595 0.2420 0.2980 0.0787 -0.0734 -0.0927 1248 GOL H C2 4725 O O2 . GOL E . ? 0.3760 0.2654 0.2910 0.0838 -0.0762 -0.0877 1248 GOL H O2 4726 C C3 . GOL E . ? 0.3630 0.2474 0.3269 0.0760 -0.0770 -0.0959 1248 GOL H C3 4727 O O3 . GOL E . ? 0.3589 0.2619 0.3592 0.0544 -0.0826 -0.0785 1248 GOL H O3 4728 C C1 . GOL F . ? 0.5283 0.2960 0.3448 -0.0018 -0.0314 -0.0342 1249 GOL H C1 4729 O O1 . GOL F . ? 0.5205 0.2077 0.3248 0.0142 -0.0478 -0.0682 1249 GOL H O1 4730 C C2 . GOL F . ? 0.5215 0.3298 0.3547 -0.0190 -0.0078 -0.0224 1249 GOL H C2 4731 O O2 . GOL F . ? 0.4944 0.3188 0.3233 -0.0184 -0.0150 -0.0211 1249 GOL H O2 4732 C C3 . GOL F . ? 0.5352 0.3680 0.3867 -0.0245 0.0093 -0.0322 1249 GOL H C3 4733 O O3 . GOL F . ? 0.5524 0.4030 0.4234 -0.0253 0.0196 -0.0334 1249 GOL H O3 4734 C C1 . GOL G . ? 0.2530 0.2530 0.2532 -0.0001 -0.0002 -0.0003 1250 GOL H C1 4735 O O1 . GOL G . ? 0.2534 0.2527 0.2534 -0.0005 -0.0005 -0.0016 1250 GOL H O1 4736 C C2 . GOL G . ? 0.2532 0.2530 0.2532 -0.0005 0.0000 0.0005 1250 GOL H C2 4737 O O2 . GOL G . ? 0.2546 0.2538 0.2552 0.0000 -0.0001 0.0012 1250 GOL H O2 4738 C C3 . GOL G . ? 0.2533 0.2530 0.2532 0.0001 -0.0003 0.0003 1250 GOL H C3 4739 O O3 . GOL G . ? 0.2537 0.2530 0.2535 -0.0007 0.0008 -0.0006 1250 GOL H O3 4740 NA NA . NA H . ? 0.1777 0.0777 0.1555 -0.0055 -0.0455 0.0277 1251 NA H NA 4741 NA NA . NA I . ? 0.1947 0.0826 0.2219 -0.0152 -0.0681 0.0376 1252 NA H NA 4742 P P . PO4 J . ? 0.1701 0.1349 0.1668 0.0265 -0.0846 -0.0099 1253 PO4 H P 4743 O O1 . PO4 J . ? 0.1736 0.1392 0.2028 0.0176 -0.0848 -0.0254 1253 PO4 H O1 4744 O O2 . PO4 J . ? 0.1502 0.1407 0.1936 0.0212 -0.0878 -0.0310 1253 PO4 H O2 4745 O O3 . PO4 J . ? 0.1899 0.1488 0.2050 0.0417 -0.0869 -0.0194 1253 PO4 H O3 4746 O O4 . PO4 J . ? 0.2100 0.1601 0.1471 0.0509 -0.0576 0.0200 1253 PO4 H O4 4747 S S . DMS K . ? 0.2021 0.1221 0.1748 0.0196 -0.0553 -0.0027 1254 DMS H S 4748 O O . DMS K . ? 0.1806 0.0913 0.1218 0.0154 -0.0331 -0.0164 1254 DMS H O 4749 C C1 . DMS K . ? 0.2049 0.0929 0.1978 0.0112 -0.0719 -0.0188 1254 DMS H C1 4750 C C2 . DMS K . ? 0.1700 0.1556 0.1555 0.0416 -0.0303 -0.0121 1254 DMS H C2 4751 S S . DMS L . ? 0.2099 0.1736 0.3684 0.0713 -0.0537 -0.0703 1255 DMS H S 4752 O O . DMS L . ? 0.2460 0.1778 0.3745 0.0903 -0.0361 -0.0454 1255 DMS H O 4753 C C1 . DMS L . ? 0.2095 0.1783 0.3640 0.0667 -0.0394 -0.0506 1255 DMS H C1 4754 C C2 . DMS L . ? 0.2084 0.1749 0.3842 0.0588 -0.0588 -0.1105 1255 DMS H C2 4755 C C1 . EDO M . ? 0.1966 0.1557 0.2107 -0.0096 -0.0958 -0.0115 1256 EDO H C1 4756 O O1 . EDO M . ? 0.2030 0.1377 0.1912 0.0018 -0.0777 0.0003 1256 EDO H O1 4757 C C2 . EDO M . ? 0.1976 0.1729 0.1971 -0.0138 -0.0905 -0.0304 1256 EDO H C2 4758 O O2 . EDO M . ? 0.1833 0.1556 0.1481 -0.0202 -0.0792 -0.0357 1256 EDO H O2 4759 S S A DMS N . ? 0.1751 0.1507 0.2421 -0.0049 -0.0326 -0.0888 1257 DMS H S 4760 S S B DMS N . ? 0.4968 0.3917 0.7558 -0.0477 0.0009 -0.1488 1257 DMS H S 4761 O O A DMS N . ? 0.1887 0.1403 0.2571 -0.0052 -0.0498 -0.0795 1257 DMS H O 4762 O O B DMS N . ? 0.5015 0.4068 0.7644 -0.0578 0.0027 -0.1383 1257 DMS H O 4763 C C1 A DMS N . ? 0.1460 0.1192 0.2162 0.0152 -0.0389 -0.0846 1257 DMS H C1 4764 C C1 B DMS N . ? 0.4934 0.3912 0.7581 -0.0527 -0.0008 -0.1429 1257 DMS H C1 4765 C C2 A DMS N . ? 0.2233 0.1891 0.2876 -0.0301 -0.0237 -0.0648 1257 DMS H C2 4766 C C2 B DMS N . ? 0.4918 0.3913 0.7573 -0.0499 0.0018 -0.1451 1257 DMS H C2 4767 C C1 . MRZ O . ? 0.2934 0.1330 0.1765 0.0565 -0.0787 -0.0474 1258 MRZ H C1 4768 C C6 . MRZ O . ? 0.2675 0.1346 0.1918 0.0560 -0.0965 -0.0649 1258 MRZ H C6 4769 C C5 . MRZ O . ? 0.2587 0.1100 0.1948 0.0504 -0.0683 -0.0528 1258 MRZ H C5 4770 N N4 . MRZ O . ? 0.2322 0.0938 0.1745 0.0341 -0.0587 -0.0267 1258 MRZ H N4 4771 C C3 . MRZ O . ? 0.2340 0.0922 0.1521 0.0324 -0.0647 -0.0285 1258 MRZ H C3 4772 C C2 . MRZ O . ? 0.2732 0.1099 0.1673 0.0534 -0.0724 -0.0388 1258 MRZ H C2 4773 C C7 . MRZ O . ? 0.2196 0.0767 0.1552 0.0170 -0.0667 -0.0134 1258 MRZ H C7 4774 N N8 . MRZ O . ? 0.2165 0.0710 0.1928 0.0062 -0.0767 -0.0002 1258 MRZ H N8 4775 N N9 . MRZ O . ? 0.1930 0.0684 0.1519 0.0292 -0.0618 -0.0202 1258 MRZ H N9 4776 C C1 . NAG P . ? 0.3523 0.5208 0.4880 0.1139 0.0133 0.0725 1259 NAG H C1 4777 C C2 . NAG P . ? 0.3639 0.5662 0.5273 0.0940 0.0125 0.0836 1259 NAG H C2 4778 C C3 . NAG P . ? 0.3873 0.5826 0.5543 0.0833 0.0068 0.0834 1259 NAG H C3 4779 C C4 . NAG P . ? 0.4188 0.5917 0.5636 0.0721 0.0130 0.0733 1259 NAG H C4 4780 C C5 . NAG P . ? 0.4137 0.5765 0.5412 0.0839 0.0120 0.0775 1259 NAG H C5 4781 C C6 . NAG P . ? 0.4362 0.5869 0.5477 0.0862 -0.0039 0.0781 1259 NAG H C6 4782 C C7 . NAG P . ? 0.3438 0.6019 0.5407 0.0867 -0.0095 0.1040 1259 NAG H C7 4783 C C8 . NAG P . ? 0.3369 0.6095 0.5406 0.0783 -0.0179 0.1000 1259 NAG H C8 4784 N N2 . NAG P . ? 0.3512 0.5865 0.5353 0.0804 -0.0004 0.1021 1259 NAG H N2 4785 O O3 . NAG P . ? 0.3913 0.5873 0.5642 0.0791 -0.0101 0.0946 1259 NAG H O3 4786 O O4 . NAG P . ? 0.4552 0.6100 0.5917 0.0518 0.0162 0.0583 1259 NAG H O4 4787 O O5 . NAG P . ? 0.3772 0.5503 0.5154 0.1036 0.0187 0.0744 1259 NAG H O5 4788 O O6 . NAG P . ? 0.4620 0.5990 0.5644 0.0794 -0.0007 0.0726 1259 NAG H O6 4789 O O7 . NAG P . ? 0.3608 0.6119 0.5465 0.0871 -0.0016 0.1023 1259 NAG H O7 4790 O O . HOH Q . ? 0.1886 0.1164 0.1663 0.0263 -0.1011 -0.0217 2001 HOH H O 4791 O O . HOH Q . ? 0.2380 0.1463 0.2294 -0.0113 -0.0991 0.0199 2002 HOH H O 4792 O O . HOH Q . ? 0.2656 0.1958 0.3280 -0.0577 -0.1398 -0.0248 2003 HOH H O 4793 O O A HOH Q . ? 0.2410 0.4237 0.6860 0.0063 -0.0531 0.2658 2004 HOH H O 4794 O O B HOH Q . ? 0.2410 0.4237 0.6863 0.0061 -0.0533 0.2657 2004 HOH H O 4795 O O . HOH Q . ? 0.4108 0.5661 0.8467 -0.1818 -0.1235 0.3087 2005 HOH H O 4796 O O . HOH Q . ? 0.5359 0.2799 0.4812 -0.0726 -0.1772 0.0385 2006 HOH H O 4797 O O . HOH Q . ? 0.3711 0.2776 0.4630 -0.0620 -0.1542 0.0688 2007 HOH H O 4798 O O . HOH Q . ? 0.2555 0.4357 0.4318 -0.1397 -0.1260 0.0188 2008 HOH H O 4799 O O . HOH Q . ? 0.3936 0.8948 0.6655 0.0246 0.0883 -0.1586 2009 HOH H O 4800 O O . HOH Q . ? 0.4300 0.7032 0.6881 -0.2188 0.0834 -0.3109 2010 HOH H O 4801 O O . HOH Q . ? 0.3211 0.5147 0.4625 -0.1534 -0.0850 0.0174 2011 HOH H O 4802 O O . HOH Q . ? 0.3433 0.2503 0.2643 -0.0496 -0.1412 -0.0440 2012 HOH H O 4803 O O . HOH Q . ? 0.5313 0.2750 0.6247 -0.1931 -0.0358 -0.0661 2013 HOH H O 4804 O O . HOH Q . ? 0.5562 0.6075 0.8314 -0.1383 -0.1258 -0.3177 2014 HOH H O 4805 O O . HOH Q . ? 0.2351 0.2894 0.3412 -0.0031 -0.0655 0.0447 2015 HOH H O 4806 O O . HOH Q . ? 0.2000 0.1489 0.1628 0.0179 -0.0761 -0.0078 2016 HOH H O 4807 O O . HOH Q . ? 0.4111 0.2533 0.4919 0.0179 -0.2270 0.0747 2017 HOH H O 4808 O O . HOH Q . ? 0.2797 0.4487 0.4574 0.1644 -0.1157 -0.1720 2018 HOH H O 4809 O O . HOH Q . ? 1.0461 0.4414 0.4284 -0.2281 -0.2065 0.0712 2019 HOH H O 4810 O O . HOH Q . ? 0.3519 0.6855 0.3536 -0.0635 -0.1541 0.1385 2020 HOH H O 4811 O O . HOH Q . ? 0.3008 0.3021 0.2731 0.0791 -0.1356 -0.0583 2021 HOH H O 4812 O O . HOH Q . ? 0.1967 0.3155 0.2321 0.0459 -0.0786 0.0092 2022 HOH H O 4813 O O . HOH Q . ? 0.2000 0.1967 0.2591 0.0744 -0.0912 -0.0904 2023 HOH H O 4814 O O . HOH Q . ? 0.1911 0.1420 0.1157 0.0561 -0.0463 -0.0179 2024 HOH H O 4815 O O . HOH Q . ? 0.1633 0.0889 0.1142 0.0399 -0.0399 -0.0036 2025 HOH H O 4816 O O . HOH Q . ? 0.1854 0.1143 0.1221 0.0415 -0.0597 -0.0173 2026 HOH H O 4817 O O . HOH Q . ? 0.1557 0.2269 0.1852 0.0578 -0.0095 0.0936 2027 HOH H O 4818 O O . HOH Q . ? 0.1968 0.1237 0.1230 0.0453 -0.0501 -0.0245 2028 HOH H O 4819 O O . HOH Q . ? 0.1576 0.0751 0.1190 0.0194 -0.0425 0.0018 2029 HOH H O 4820 O O . HOH Q . ? 0.1748 0.1227 0.1022 0.0520 -0.0437 -0.0001 2030 HOH H O 4821 O O . HOH Q . ? 0.7485 0.3944 0.6231 -0.0320 -0.2318 -0.1361 2031 HOH H O 4822 O O . HOH Q . ? 1.0403 0.4566 0.3593 0.0950 -0.0400 -0.0516 2032 HOH H O 4823 O O . HOH Q . ? 0.1899 0.1304 0.1054 0.0653 -0.0537 -0.0022 2033 HOH H O 4824 O O . HOH Q . ? 0.1580 0.1019 0.1383 0.0228 -0.0593 -0.0325 2034 HOH H O 4825 O O . HOH Q . ? 0.4569 0.6400 0.5957 0.0248 0.0283 0.2993 2035 HOH H O 4826 O O . HOH Q . ? 0.8590 0.5253 0.3614 0.0244 -0.1399 -0.1223 2036 HOH H O 4827 O O . HOH Q . ? 0.4447 0.2419 0.3785 0.1461 0.0404 0.0798 2037 HOH H O 4828 O O . HOH Q . ? 0.6573 0.4707 0.4296 0.1612 -0.0886 0.1637 2038 HOH H O 4829 O O . HOH Q . ? 0.4606 0.4217 0.2861 0.2131 -0.0246 -0.1219 2039 HOH H O 4830 O O . HOH Q . ? 0.7444 0.7280 0.2903 0.1733 -0.0406 -0.1436 2040 HOH H O 4831 O O . HOH Q . ? 0.5074 0.9132 0.4840 0.2413 0.1368 0.2824 2041 HOH H O 4832 O O . HOH Q . ? 0.5532 0.5872 0.3422 0.0873 -0.0802 -0.2361 2042 HOH H O 4833 O O . HOH Q . ? 0.6020 0.6265 0.4688 0.3397 -0.1271 -0.1925 2043 HOH H O 4834 O O . HOH Q . ? 0.5824 0.9540 0.4171 0.3605 0.0517 0.1173 2044 HOH H O 4835 O O . HOH Q . ? 0.2890 0.3919 0.2435 -0.0014 -0.0552 0.0138 2045 HOH H O 4836 O O . HOH Q . ? 1.0473 0.5159 0.3220 0.0744 0.1105 -0.0247 2046 HOH H O 4837 O O . HOH Q . ? 0.7314 0.5280 0.4006 0.2749 0.1104 0.1622 2047 HOH H O 4838 O O . HOH Q . ? 0.4477 0.2979 0.3760 0.0824 -0.1426 -0.0961 2048 HOH H O 4839 O O . HOH Q . ? 0.5355 0.3498 0.8063 -0.0176 -0.3112 0.0566 2049 HOH H O 4840 O O . HOH Q . ? 0.5423 0.3227 0.3212 -0.0293 -0.1307 0.0021 2050 HOH H O 4841 O O . HOH Q . ? 0.2683 0.2824 0.2128 0.1288 -0.0923 -0.0643 2051 HOH H O 4842 O O . HOH Q . ? 0.4980 0.3495 0.4175 0.0468 -0.1453 0.1569 2052 HOH H O 4843 O O . HOH Q . ? 0.4015 0.3173 0.5280 0.1174 -0.2239 -0.0216 2053 HOH H O 4844 O O . HOH Q . ? 0.3337 0.0935 0.1132 0.0437 0.0132 0.0050 2054 HOH H O 4845 O O . HOH Q . ? 0.4821 0.6387 0.6553 -0.1346 -0.2886 0.0607 2055 HOH H O 4846 O O . HOH Q . ? 0.3438 0.4972 0.2523 -0.2270 0.0851 -0.1317 2056 HOH H O 4847 O O . HOH Q . ? 0.3789 0.5409 0.5842 0.0330 -0.0651 -0.0639 2057 HOH H O 4848 O O . HOH Q . ? 0.4018 0.3279 0.8250 0.0087 0.2477 0.1441 2058 HOH H O 4849 O O . HOH Q . ? 0.6926 0.4418 0.6755 0.2190 -0.1017 0.2025 2059 HOH H O 4850 O O . HOH Q . ? 0.4129 0.7252 0.5670 0.0145 -0.1651 -0.2938 2060 HOH H O 4851 O O . HOH Q . ? 0.3805 0.1910 0.4785 0.0248 -0.0773 0.0797 2061 HOH H O 4852 O O . HOH Q . ? 0.5786 0.3433 0.5275 0.0279 -0.2275 0.1302 2062 HOH H O 4853 O O . HOH Q . ? 0.5736 0.5568 0.5824 -0.0095 0.0449 0.2728 2063 HOH H O 4854 O O . HOH Q . ? 0.7587 0.2751 0.5205 0.0184 -0.0452 0.1625 2064 HOH H O 4855 O O . HOH Q . ? 0.3566 0.3207 0.2388 0.0365 -0.0747 -0.0432 2065 HOH H O 4856 O O . HOH Q . ? 0.2402 0.1834 0.3047 0.0388 -0.0568 -0.0640 2066 HOH H O 4857 O O . HOH Q . ? 0.4168 0.1195 0.2264 0.0082 0.0334 -0.0347 2067 HOH H O 4858 O O . HOH Q . ? 0.3338 0.2425 0.3327 0.1372 -0.1065 -0.0859 2068 HOH H O 4859 O O . HOH Q . ? 0.8879 0.4297 0.6512 0.1979 -0.2189 -0.2244 2069 HOH H O 4860 O O . HOH Q . ? 0.3475 0.2844 0.6162 -0.0961 0.0343 -0.0980 2070 HOH H O 4861 O O . HOH Q . ? 0.6633 0.5762 0.2886 -0.1248 0.1478 -0.1308 2071 HOH H O 4862 O O . HOH Q . ? 0.4772 0.7371 0.4024 0.2600 0.1719 0.0920 2072 HOH H O 4863 O O . HOH Q . ? 0.4246 0.5151 0.2935 -0.1920 -0.1586 0.1166 2073 HOH H O 4864 O O . HOH Q . ? 0.4323 0.2891 0.1718 0.1906 -0.0241 -0.0081 2074 HOH H O 4865 O O . HOH Q . ? 0.5288 0.6078 0.6876 -0.1954 -0.0274 -0.0944 2075 HOH H O 4866 O O . HOH Q . ? 0.5025 0.5996 0.6956 0.2816 0.0161 0.1370 2076 HOH H O 4867 O O . HOH Q . ? 0.5152 0.6523 0.4114 0.2195 -0.1431 -0.1863 2077 HOH H O 4868 O O . HOH Q . ? 0.7180 0.4159 0.7574 -0.0144 -0.4271 0.0805 2078 HOH H O 4869 O O . HOH Q . ? 0.2896 0.2075 0.2557 -0.0178 -0.0282 0.0644 2079 HOH H O 4870 O O . HOH Q . ? 0.3724 0.4601 0.3556 0.0332 -0.0499 -0.1463 2080 HOH H O 4871 O O . HOH Q . ? 0.6444 0.4566 0.5461 -0.2306 -0.2058 0.0598 2081 HOH H O 4872 O O . HOH Q . ? 0.4356 0.7437 0.8324 0.0366 0.0150 0.2531 2082 HOH H O 4873 O O . HOH Q . ? 0.4019 0.3236 0.2103 0.1330 0.0319 0.0332 2083 HOH H O 4874 O O . HOH Q . ? 0.8522 0.3822 0.3558 0.0592 -0.1082 0.0746 2084 HOH H O 4875 O O . HOH Q . ? 0.4555 0.4795 0.5179 -0.0231 0.0613 -0.2611 2085 HOH H O 4876 O O . HOH Q . ? 0.3797 0.3797 0.3796 0.0000 0.0000 0.0001 2086 HOH H O 4877 O O . HOH Q . ? 0.6776 0.5587 0.3056 0.2836 -0.0764 -0.0446 2087 HOH H O 4878 O O . HOH Q . ? 0.2854 0.2310 0.2074 0.0106 0.0058 0.0370 2088 HOH H O 4879 O O . HOH Q . ? 0.5773 0.4326 0.3401 0.0558 -0.0090 0.0026 2089 HOH H O 4880 O O . HOH Q . ? 0.3299 0.2152 0.1743 0.0811 -0.0789 -0.0802 2090 HOH H O 4881 O O . HOH Q . ? 0.2719 0.3495 0.7431 0.0076 -0.1911 -0.0438 2091 HOH H O 4882 O O . HOH Q . ? 0.3723 0.2823 0.2467 -0.0141 -0.1637 0.0130 2092 HOH H O 4883 O O . HOH Q . ? 0.3038 0.3860 0.2328 0.0427 -0.1097 -0.1259 2093 HOH H O 4884 O O . HOH Q . ? 0.3569 0.3107 0.3625 0.1407 -0.1666 -0.1378 2094 HOH H O 4885 O O . HOH Q . ? 0.4324 0.3615 0.4068 0.1018 -0.1875 -0.1858 2095 HOH H O 4886 O O A HOH Q . ? 0.4631 0.3430 0.3639 0.1722 -0.2190 -0.1374 2096 HOH H O 4887 O O B HOH Q . ? 0.3462 0.2511 0.1319 0.0938 -0.0739 -0.0434 2096 HOH H O 4888 O O . HOH Q . ? 0.2981 0.1760 0.2806 0.0270 -0.1717 -0.0147 2097 HOH H O 4889 O O A HOH Q . ? 0.3825 0.3312 0.1839 0.1367 -0.0543 0.0339 2098 HOH H O 4890 O O . HOH Q . ? 0.5555 0.6387 0.5364 0.3172 0.0389 0.1819 2099 HOH H O 4891 O O . HOH Q . ? 0.5061 0.3343 0.5906 0.1154 -0.1961 -0.0621 2100 HOH H O 4892 O O . HOH Q . ? 0.3522 0.3020 0.1676 0.0848 -0.0437 -0.0086 2101 HOH H O 4893 O O . HOH Q . ? 0.6179 0.8616 0.3632 0.0008 -0.0463 0.1937 2102 HOH H O 4894 O O . HOH Q . ? 0.5454 0.8947 0.3295 0.0566 -0.1737 -0.0746 2103 HOH H O 4895 O O . HOH Q . ? 0.2236 0.1620 0.1327 -0.0706 -0.0681 0.0206 2104 HOH H O 4896 O O . HOH Q . ? 0.2515 0.2056 0.1525 -0.0460 -0.0731 0.0032 2105 HOH H O 4897 O O . HOH Q . ? 0.6485 0.4333 0.8588 0.2799 -0.0284 -0.1011 2106 HOH H O 4898 O O . HOH Q . ? 0.3806 0.3804 0.3807 0.0002 -0.0002 -0.0001 2107 HOH H O 4899 O O . HOH Q . ? 0.3141 0.3798 0.1800 0.0608 -0.0537 0.1008 2108 HOH H O 4900 O O . HOH Q . ? 0.2695 0.2148 0.3388 0.0214 -0.0360 0.0223 2109 HOH H O 4901 O O . HOH Q . ? 0.4956 0.3156 0.3536 0.0800 -0.2083 0.0402 2110 HOH H O 4902 O O . HOH Q . ? 0.5231 0.3559 0.7040 -0.0746 0.2040 -0.0240 2111 HOH H O 4903 O O . HOH Q . ? 0.3060 0.1720 0.1138 0.0856 -0.0456 0.0023 2112 HOH H O 4904 O O . HOH Q . ? 0.6047 0.3531 0.4125 0.0694 -0.0697 0.0583 2113 HOH H O 4905 O O . HOH Q . ? 0.7975 0.6891 0.5873 0.1870 -0.1730 0.2822 2114 HOH H O 4906 O O . HOH Q . ? 0.4744 0.8294 0.5623 0.1262 -0.2392 -0.0412 2115 HOH H O 4907 O O . HOH Q . ? 0.3746 0.3272 0.4711 0.0194 -0.0839 0.1577 2116 HOH H O 4908 O O . HOH Q . ? 0.2882 0.3511 0.2891 0.0933 -0.0003 0.1170 2117 HOH H O 4909 O O . HOH Q . ? 0.4152 0.5157 0.5952 -0.1550 -0.1463 0.0762 2118 HOH H O 4910 O O . HOH Q . ? 0.2372 0.4837 0.6879 0.0057 0.0857 -0.0511 2119 HOH H O 4911 O O . HOH Q . ? 0.2263 0.4250 0.3544 0.1224 0.0793 0.1301 2120 HOH H O 4912 O O . HOH Q . ? 0.2798 0.8784 0.4636 0.1615 0.0338 -0.0463 2121 HOH H O 4915 O O . HOH Q . ? 0.4329 0.6582 0.7533 0.0696 -0.1215 0.1619 2123 HOH H O 4916 O O . HOH Q . ? 0.3803 0.3806 0.3806 0.0000 -0.0002 0.0000 2124 HOH H O 4917 O O . HOH Q . ? 0.5214 0.7105 0.4862 0.3183 0.1404 0.0266 2125 HOH H O 4918 O O . HOH Q . ? 0.7456 0.2982 0.4523 0.0522 0.1063 0.0351 2126 HOH H O 4919 O O . HOH Q . ? 0.5753 0.5807 0.4328 -0.2786 -0.1667 0.1518 2127 HOH H O 4920 O O . HOH Q . ? 0.2231 0.2611 0.2941 0.1190 -0.0770 -0.1182 2128 HOH H O 4921 O O . HOH Q . ? 0.3424 0.4357 0.7461 0.1343 0.1545 -0.0582 2129 HOH H O 4922 O O . HOH Q . ? 0.2676 0.4016 0.3412 0.0599 -0.1070 -0.1056 2130 HOH H O 4923 O O . HOH Q . ? 0.4647 0.4552 0.3104 0.2181 -0.0572 0.0845 2131 HOH H O 4924 O O . HOH Q . ? 0.3270 0.6097 0.6518 -0.1189 -0.0303 0.2426 2132 HOH H O 4925 O O . HOH Q . ? 0.5178 0.7123 0.6941 -0.0972 -0.1899 0.2468 2133 HOH H O 4926 O O . HOH Q . ? 0.3418 0.2468 0.3243 0.1396 -0.1489 -0.0742 2134 HOH H O 4927 O O . HOH Q . ? 0.3875 0.2920 0.5769 0.1747 0.0374 0.0662 2135 HOH H O 4928 O O . HOH Q . ? 0.2820 0.4010 0.4275 0.1540 -0.1414 -0.1394 2136 HOH H O 4929 O O . HOH Q . ? 0.3956 0.5924 0.5229 -0.0421 0.0116 -0.1436 2137 HOH H O 4930 O O . HOH Q . ? 0.4133 0.3374 0.4671 0.0545 -0.2435 -0.0280 2138 HOH H O 4931 O O . HOH Q . ? 0.2292 0.1556 0.2774 0.0130 -0.0046 0.0045 2139 HOH H O 4932 O O . HOH Q . ? 0.1487 0.1129 0.1199 0.0264 -0.0468 -0.0101 2140 HOH H O 4933 O O . HOH Q . ? 0.1514 0.1119 0.1410 0.0463 -0.0394 0.0039 2141 HOH H O 4934 O O . HOH Q . ? 0.2573 0.2187 0.1732 0.0453 -0.0763 -0.0109 2142 HOH H O 4935 O O . HOH Q . ? 0.3559 0.7099 0.7232 0.0030 -0.2317 -0.1522 2143 HOH H O 4936 O O . HOH Q . ? 0.8095 0.4385 0.4154 -0.0893 -0.2575 0.1399 2144 HOH H O 4937 O O . HOH Q . ? 0.3716 0.5133 0.2141 0.0654 -0.0405 0.0428 2145 HOH H O 4938 O O . HOH Q . ? 0.2763 0.2144 0.2055 0.0563 -0.0173 0.0156 2146 HOH H O 4939 O O . HOH Q . ? 0.4954 0.2660 0.4071 -0.0216 0.0901 0.1110 2147 HOH H O 4940 O O . HOH Q . ? 1.1243 0.3928 0.5203 -0.1409 -0.1515 0.1306 2148 HOH H O 4941 O O . HOH Q . ? 0.2239 0.1758 0.1656 0.0185 -0.0243 -0.0030 2149 HOH H O 4942 O O . HOH Q . ? 0.2757 0.3327 0.2018 0.1276 -0.0397 0.0709 2150 HOH H O 4943 O O . HOH Q . ? 0.4374 0.2368 0.3834 -0.0274 -0.0955 -0.0017 2151 HOH H O 4944 O O . HOH Q . ? 0.8071 0.5917 0.5970 0.3174 -0.2405 0.0189 2152 HOH H O 4945 O O . HOH Q . ? 0.4368 0.3293 0.2537 0.2168 -0.0711 -0.0314 2153 HOH H O 4946 O O . HOH Q . ? 0.4410 0.4572 0.6182 0.1148 -0.1599 0.1900 2154 HOH H O 4947 O O . HOH Q . ? 0.8069 0.2501 0.7799 0.1061 -0.1005 0.0378 2155 HOH H O 4948 O O . HOH Q . ? 0.7397 0.6009 0.4356 -0.1049 -0.2994 -0.0263 2156 HOH H O 4949 O O . HOH Q . ? 0.1896 0.1159 0.1353 0.0361 -0.0589 -0.0014 2157 HOH H O 4950 O O . HOH Q . ? 0.3111 0.4053 0.2376 0.1159 -0.0764 -0.0131 2158 HOH H O 4951 O O . HOH Q . ? 0.2362 0.1669 0.3026 -0.0597 -0.0571 0.0517 2159 HOH H O 4952 O O . HOH Q . ? 0.4319 0.1622 0.5682 -0.0245 0.1161 -0.0259 2160 HOH H O 4953 O O . HOH Q . ? 0.2343 0.1491 0.4471 -0.0332 -0.0361 -0.0748 2161 HOH H O 4954 O O . HOH Q . ? 0.5917 0.2837 0.6690 -0.0073 -0.1857 -0.1387 2162 HOH H O 4955 O O . HOH Q . ? 0.3494 0.2232 0.4509 -0.1178 0.0072 -0.0895 2163 HOH H O 4956 O O . HOH Q . ? 0.2554 0.4268 0.3419 0.1000 -0.0455 -0.0669 2164 HOH H O 4957 O O . HOH Q . ? 0.5736 0.3841 0.8111 -0.1420 0.1147 -0.1080 2165 HOH H O 4958 O O . HOH Q . ? 0.4706 0.5289 0.3589 0.0925 -0.0808 -0.2407 2166 HOH H O 4959 O O . HOH Q . ? 0.4472 0.2335 0.7120 -0.0401 -0.1148 -0.1093 2167 HOH H O 4960 O O . HOH Q . ? 0.5463 0.3110 0.7347 0.0882 -0.1248 0.0018 2168 HOH H O 4961 O O . HOH Q . ? 0.1806 0.1095 0.2431 -0.0141 -0.0302 -0.0581 2169 HOH H O 4962 O O . HOH Q . ? 0.3818 0.2969 0.3159 0.0441 -0.1552 -0.0367 2170 HOH H O 4963 O O . HOH Q . ? 0.6274 0.4984 0.4846 0.2823 -0.0485 -0.1706 2171 HOH H O 4964 O O . HOH Q . ? 0.4563 1.0423 0.2756 0.0918 -0.0343 0.0437 2172 HOH H O 4965 O O . HOH Q . ? 0.4118 0.2481 0.1716 0.1307 -0.0559 -0.0391 2173 HOH H O 4966 O O . HOH Q . ? 0.7334 0.5520 0.3961 0.0988 -0.0414 -0.2510 2174 HOH H O 4967 O O . HOH Q . ? 0.3825 0.2986 0.2025 0.0088 -0.1301 0.0091 2175 HOH H O 4968 O O . HOH Q . ? 0.4100 0.4077 0.2083 0.2246 0.0328 0.0193 2176 HOH H O 4969 O O . HOH Q . ? 0.5128 0.3813 0.2054 0.0558 -0.0447 -0.0840 2177 HOH H O 4970 O O . HOH Q . ? 0.2216 0.1545 0.1709 0.0079 0.0087 0.0152 2178 HOH H O 4971 O O . HOH Q . ? 0.3768 0.1831 0.2186 0.0718 0.0284 0.0415 2179 HOH H O 4972 O O . HOH Q . ? 0.2585 0.2697 0.2681 -0.0712 -0.0344 0.0866 2180 HOH H O 4973 O O . HOH Q . ? 0.3226 0.3508 0.8172 -0.0401 0.1432 0.0512 2181 HOH H O 4974 O O . HOH Q . ? 0.4641 0.2265 0.3776 -0.0527 0.1363 0.0949 2182 HOH H O 4975 O O . HOH Q . ? 0.1781 0.1328 0.1756 0.0074 0.0037 0.0333 2183 HOH H O 4976 O O . HOH Q . ? 0.1648 0.0811 0.1330 0.0288 -0.0534 -0.0146 2184 HOH H O 4977 O O . HOH Q . ? 0.1815 0.1356 0.1311 0.0443 -0.0577 -0.0170 2185 HOH H O 4978 O O . HOH Q . ? 0.4762 0.2310 0.3064 0.1142 -0.1137 -0.1099 2186 HOH H O 4979 O O A HOH Q . ? 0.5122 0.2796 0.3737 -0.0641 -0.1093 -0.0968 2187 HOH H O 4980 O O B HOH Q . ? 0.3545 0.1798 0.4287 -0.0185 -0.0265 -0.0938 2187 HOH H O 4981 O O . HOH Q . ? 0.5737 0.4734 0.4390 0.2206 0.0803 0.2117 2189 HOH H O 4982 O O . HOH Q . ? 0.6902 0.2479 0.6072 0.0276 -0.2674 0.0443 2190 HOH H O 4983 O O . HOH Q . ? 0.5163 0.6787 0.3889 -0.3082 -0.1397 0.0638 2191 HOH H O 4984 O O . HOH Q . ? 0.9018 0.2900 0.4214 0.0732 -0.2373 -0.0548 2192 HOH H O 4985 O O . HOH Q . ? 0.4185 0.8059 0.4338 -0.0787 -0.1280 0.0337 2193 HOH H O 4986 O O . HOH Q . ? 0.4209 0.3618 0.5087 0.0123 -0.1552 0.1063 2194 HOH H O 4987 O O . HOH Q . ? 0.1900 0.4213 0.3500 -0.0449 -0.0284 -0.1027 2195 HOH H O 4988 O O . HOH Q . ? 0.1558 0.2162 0.2677 -0.0271 -0.0288 0.0888 2196 HOH H O 4989 O O . HOH Q . ? 0.4120 0.5939 0.5945 -0.0982 0.2102 -0.2867 2197 HOH H O 4990 O O . HOH Q . ? 0.2162 0.1091 0.1212 -0.0159 -0.0172 -0.0011 2198 HOH H O 4991 O O . HOH Q . ? 0.5843 0.5777 0.2299 -0.2573 -0.0183 0.0707 2199 HOH H O 4992 O O . HOH Q . ? 0.8878 0.7086 0.3163 0.1296 0.0520 -0.0496 2200 HOH H O 4993 O O . HOH Q . ? 0.3328 0.1982 0.2213 -0.0447 -0.0461 -0.0115 2201 HOH H O 4994 O O . HOH Q . ? 0.1824 0.1067 0.1437 0.0093 -0.0276 -0.0189 2202 HOH H O 4995 O O . HOH Q . ? 0.3772 0.4270 0.3729 0.1042 -0.1100 0.1216 2203 HOH H O 4996 O O . HOH Q . ? 0.1886 0.0978 0.1937 0.0133 -0.0600 0.0228 2204 HOH H O 4997 O O . HOH Q . ? 0.3412 0.2009 0.3057 0.0645 0.0160 0.0929 2205 HOH H O 4998 O O . HOH Q . ? 0.7482 0.2916 0.7324 0.0894 -0.1528 -0.1163 2206 HOH H O 4999 O O . HOH Q . ? 0.7115 0.3458 0.3172 0.2278 0.0854 0.0537 2207 HOH H O 5000 O O . HOH Q . ? 0.2316 0.1008 0.1885 -0.0014 -0.0161 0.0331 2208 HOH H O 5001 O O . HOH Q . ? 0.2359 0.2350 0.1996 -0.0383 -0.0236 -0.0589 2209 HOH H O 5002 O O . HOH Q . ? 0.5624 0.3464 0.3297 0.0496 -0.0305 -0.0532 2210 HOH H O 5003 O O . HOH Q . ? 0.3793 0.3791 0.3794 0.0002 -0.0003 -0.0010 2211 HOH H O 5004 O O . HOH Q . ? 0.2104 0.1283 0.1589 0.0102 -0.0480 0.0179 2212 HOH H O 5005 O O . HOH Q . ? 0.3296 0.1043 0.1745 0.0214 -0.1100 0.0011 2213 HOH H O 5006 O O . HOH Q . ? 0.4055 0.6687 0.5769 0.2318 0.1952 0.2955 2214 HOH H O 5007 O O . HOH Q . ? 0.3215 0.6451 0.2606 -0.0167 -0.0744 0.1557 2215 HOH H O 5008 O O . HOH Q . ? 0.4250 0.3130 0.3685 0.0085 -0.1478 -0.1028 2216 HOH H O 5009 O O . HOH Q . ? 0.3729 0.2122 0.1720 0.0810 -0.0666 -0.0233 2217 HOH H O 5010 O O . HOH Q . ? 0.6166 0.3444 0.3134 -0.1707 -0.2149 0.0892 2218 HOH H O 5011 O O . HOH Q . ? 0.3221 0.2697 0.2840 -0.0094 -0.1440 0.0469 2219 HOH H O 5012 O O . HOH Q . ? 0.2874 0.2451 0.3116 -0.0192 -0.1109 0.0948 2220 HOH H O 5013 O O . HOH Q . ? 0.5603 0.5278 0.4048 0.0437 -0.1203 0.0551 2221 HOH H O 5014 O O . HOH Q . ? 0.4883 0.3261 0.7083 0.0902 -0.3264 -0.1512 2222 HOH H O 5015 O O . HOH Q . ? 0.1898 0.0891 0.1892 -0.0034 -0.0661 0.0059 2223 HOH H O 5016 O O . HOH Q . ? 0.1600 0.0708 0.1693 0.0141 -0.0530 0.0029 2224 HOH H O 5017 O O . HOH Q . ? 0.2089 0.1352 0.1623 -0.0122 -0.0225 0.0364 2225 HOH H O 5018 O O . HOH Q . ? 0.1736 0.1070 0.2050 -0.0072 -0.0673 0.0213 2226 HOH H O 5019 O O . HOH Q . ? 0.1718 0.0772 0.1961 -0.0020 -0.0584 0.0250 2227 HOH H O 5020 O O . HOH Q . ? 0.2113 0.1164 0.2548 -0.0011 -0.0381 0.0727 2228 HOH H O 5021 O O . HOH Q . ? 0.2496 0.2318 0.2952 -0.0662 -0.0317 0.0681 2229 HOH H O 5022 O O . HOH Q . ? 0.5213 0.3605 0.7568 0.1939 0.0312 -0.0139 2230 HOH H O 5023 O O . HOH Q . ? 0.7921 0.6067 0.3462 -0.0493 0.0198 0.2128 2231 HOH H O 5024 O O . HOH Q . ? 0.4456 0.2939 0.5378 0.1140 0.2230 0.1251 2232 HOH H O 5025 O O . HOH Q . ? 0.4879 0.5044 0.8512 0.0405 -0.1575 -0.1806 2233 HOH H O 5026 O O . HOH Q . ? 0.3366 0.4625 0.5361 -0.0733 0.0210 0.1060 2234 HOH H O 5027 O O . HOH Q . ? 0.4870 0.4590 0.5038 -0.0301 0.0702 0.1482 2235 HOH H O 5028 O O . HOH Q . ? 0.2454 0.4309 0.3518 0.0267 -0.0905 0.0804 2236 HOH H O 5029 O O . HOH Q . ? 0.2217 0.1641 0.2924 -0.0444 -0.0679 0.0817 2237 HOH H O 5030 O O . HOH Q . ? 0.2450 0.1000 0.2220 0.0135 -0.0880 0.0062 2238 HOH H O 5031 O O . HOH Q . ? 0.2237 0.0918 0.1923 -0.0118 -0.0628 0.0097 2239 HOH H O 5032 O O B HOH Q . ? 0.4032 0.3411 0.3679 -0.0031 -0.0215 -0.0334 2240 HOH H O 5033 O O . HOH Q . ? 0.4136 0.8594 0.5479 0.0325 -0.0871 -0.1339 2241 HOH H O 5034 O O . HOH Q . ? 0.2774 0.2343 0.2526 0.0038 -0.1273 -0.0295 2242 HOH H O 5035 O O . HOH Q . ? 0.6121 0.6420 0.5832 -0.2511 0.1952 -0.3244 2243 HOH H O 5036 O O . HOH Q . ? 0.3926 0.2426 0.4418 0.0818 -0.1383 -0.1544 2244 HOH H O 5037 O O . HOH Q . ? 1.0050 0.5028 0.4022 0.1960 -0.0549 -0.0292 2245 HOH H O 5038 O O . HOH Q . ? 0.1661 0.1457 0.1475 0.0318 -0.0184 -0.0292 2246 HOH H O 5039 O O . HOH Q . ? 0.1629 0.1184 0.1842 0.0274 -0.0582 0.0148 2247 HOH H O 5040 O O B HOH Q . ? 0.2641 0.1567 0.2585 0.1001 -0.0433 -0.0214 2248 HOH H O 5041 O O . HOH Q . ? 0.1754 0.1052 0.2484 0.0024 -0.0758 -0.0421 2249 HOH H O 5042 O O . HOH Q . ? 0.2874 0.2153 0.3177 0.0205 0.0157 -0.0151 2250 HOH H O 5043 O O . HOH Q . ? 0.4299 0.1728 0.1903 0.0768 -0.0990 0.0016 2251 HOH H O 5044 O O A HOH Q . ? 0.4398 0.3162 0.3212 0.1575 0.0349 0.0655 2252 HOH H O 5045 O O B HOH Q . ? 0.4390 0.3153 0.3204 0.1584 0.0351 0.0658 2252 HOH H O 5046 O O . HOH Q . ? 0.4879 0.3302 0.5857 -0.1570 0.2467 -0.1884 2254 HOH H O 5047 O O A HOH Q . ? 0.2642 0.1570 0.2585 0.0997 -0.0432 -0.0214 2255 HOH H O 5048 O O . HOH Q . ? 0.2917 0.1812 0.3744 0.0771 -0.1655 -0.0491 2256 HOH H O 5049 O O . HOH Q . ? 0.2922 0.1944 0.3198 0.0498 -0.1029 -0.0260 2257 HOH H O 5050 O O . HOH Q . ? 0.6649 0.1996 0.6971 -0.0387 -0.0093 0.0923 2258 HOH H O 5051 O O . HOH Q . ? 0.9244 0.5401 0.5395 -0.2729 0.0131 -0.2080 2259 HOH H O 5052 O O . HOH Q . ? 0.3617 0.6285 0.5818 -0.1374 0.0281 -0.0012 2260 HOH H O 5053 O O . HOH Q . ? 0.1425 0.0955 0.1255 0.0232 -0.0393 -0.0222 2261 HOH H O 5054 O O . HOH Q . ? 0.2746 0.1030 0.2340 0.0297 -0.0168 -0.0401 2262 HOH H O 5055 O O . HOH Q . ? 0.8910 0.4998 0.6267 0.3046 0.3602 0.1975 2263 HOH H O 5056 O O . HOH Q . ? 0.4074 0.1454 0.2640 -0.0446 0.0651 -0.0393 2264 HOH H O 5057 O O . HOH Q . ? 0.2548 0.1268 0.2179 -0.0070 -0.0873 0.0233 2265 HOH H O 5058 O O . HOH Q . ? 0.2430 0.1605 0.2817 0.0124 -0.0105 -0.0060 2266 HOH H O 5059 O O . HOH Q . ? 0.9570 0.3586 0.4991 0.1761 0.1197 -0.0845 2267 HOH H O 5060 O O . HOH Q . ? 0.1883 0.1048 0.2450 -0.0104 -0.0692 0.0291 2268 HOH H O 5061 O O . HOH Q . ? 0.5468 0.3328 0.5018 -0.2078 -0.0722 -0.0863 2269 HOH H O 5062 O O . HOH Q . ? 0.7226 0.5734 0.6195 0.0859 -0.0429 0.2613 2270 HOH H O 5063 O O . HOH Q . ? 0.4875 0.2362 0.3143 -0.0855 -0.1360 -0.0368 2271 HOH H O 5064 O O . HOH Q . ? 0.6899 0.2449 0.4620 -0.1249 0.0905 0.0638 2272 HOH H O 5065 O O . HOH Q . ? 0.6394 0.2265 0.4776 -0.0763 0.1432 -0.1041 2273 HOH H O 5066 O O . HOH Q . ? 0.2857 0.1760 0.2091 0.0578 -0.0595 -0.0682 2274 HOH H O 5067 O O . HOH Q . ? 0.3834 0.1680 0.2860 0.0284 -0.0941 -0.0147 2275 HOH H O 5068 O O . HOH Q . ? 0.2830 0.2264 0.3549 0.0108 -0.0074 0.1529 2276 HOH H O 5069 O O . HOH Q . ? 0.4120 0.3670 0.1554 0.1161 -0.0059 -0.0131 2277 HOH H O 5070 O O . HOH Q . ? 0.5658 0.2251 0.2736 0.0672 -0.1218 -0.0832 2278 HOH H O 5071 O O . HOH Q . ? 0.2135 0.2850 0.4587 -0.0344 -0.0595 -0.1598 2279 HOH H O 5072 O O . HOH Q . ? 0.2193 0.2109 0.2961 -0.0327 -0.0567 -0.0229 2280 HOH H O 5073 O O . HOH Q . ? 0.5264 0.6106 0.3939 -0.0986 -0.2283 0.0626 2281 HOH H O 5074 O O . HOH Q . ? 0.5736 0.4353 0.6513 0.0760 -0.0796 0.1795 2282 HOH H O 5075 O O . HOH Q . ? 0.4207 0.3204 0.6399 -0.1839 0.0289 -0.0909 2283 HOH H O 5076 O O . HOH Q . ? 0.5695 0.6046 0.7682 -0.2110 -0.3169 0.2130 2285 HOH H O 5077 O O . HOH Q . ? 0.6211 0.4226 0.7198 -0.2459 0.1676 -0.1640 2286 HOH H O 5078 O O . HOH Q . ? 0.3544 0.4301 0.8888 -0.1331 -0.0208 0.1787 2287 HOH H O 5079 O O . HOH Q . ? 0.7191 0.6178 0.6983 0.1674 0.0846 0.3119 2288 HOH H O 5080 O O . HOH Q . ? 0.4151 1.1676 0.3838 -0.0745 0.0499 -0.0803 2289 HOH H O 5081 O O . HOH Q . ? 0.8702 0.6418 0.5840 0.0548 0.1314 -0.2608 2290 HOH H O 5082 O O . HOH Q . ? 0.1940 0.3521 0.2419 -0.0352 -0.1127 0.0279 2291 HOH H O 5083 O O . HOH Q . ? 0.1783 0.0769 0.1286 0.0220 -0.0574 -0.0042 2292 HOH H O 5084 O O . HOH R . ? 0.5785 0.5661 0.2902 0.0274 -0.0812 0.0275 2001 HOH I O 5085 O O . HOH R . ? 0.7076 0.4053 0.2775 -0.0147 -0.0945 -0.1296 2002 HOH I O 5086 O O . HOH R . ? 0.5656 0.5070 0.3355 0.0918 -0.0023 -0.0774 2003 HOH I O 5087 O O . HOH R . ? 0.8067 0.5399 0.3461 0.1014 0.1046 -0.0069 2004 HOH I O 5088 O O . HOH S . ? 1.1978 0.4281 0.3166 -0.1799 0.0259 -0.0105 2001 HOH L O 5089 O O . HOH S . ? 0.3502 0.1496 0.2291 0.0758 -0.0162 0.0426 2002 HOH L O 5090 O O . HOH S . ? 0.1677 0.1597 0.1967 0.0449 -0.0776 -0.0351 2003 HOH L O 5091 O O . HOH S . ? 0.6378 0.3719 0.5902 0.1183 0.3183 -0.0070 2004 HOH L O 5092 O O . HOH S . ? 0.4122 0.2328 0.2460 0.1359 -0.1551 -0.0603 2005 HOH L O 5093 O O . HOH S . ? 0.5440 0.3774 0.3151 0.0045 -0.0480 0.0139 2006 HOH L O 5094 O O . HOH S . ? 0.4034 0.2264 0.2770 0.0537 0.0137 -0.0389 2007 HOH L O 5095 O O . HOH S . ? 0.1933 0.2980 0.4459 0.0668 0.0020 0.0976 2008 HOH L O 5096 O O . HOH S . ? 0.3618 0.3902 0.4636 -0.0182 -0.2074 0.1397 2009 HOH L O 5097 O O . HOH S . ? 0.2832 0.2571 0.2445 0.0060 0.0037 0.0381 2010 HOH L O 5098 O O . HOH S . ? 0.1366 0.2135 0.1597 0.0393 -0.0334 0.0031 2011 HOH L O 5099 O O . HOH S . ? 0.2657 0.5362 0.3609 0.0952 -0.0757 -0.1284 2012 HOH L O 5100 O O . HOH S . ? 0.5206 0.7563 0.3768 -0.3461 0.1226 -0.1910 2013 HOH L O 5101 O O . HOH S . ? 0.1720 0.1225 0.1460 -0.0027 -0.0130 -0.0023 2014 HOH L O 5102 O O . HOH S . ? 0.2221 0.1926 0.1544 0.0615 -0.0288 -0.0036 2015 HOH L O 5103 O O . HOH S . ? 0.2920 0.5375 0.3824 -0.1574 0.0800 -0.1601 2016 HOH L O 5104 O O . HOH S . ? 0.2829 0.4292 0.3517 -0.0447 -0.1126 0.0095 2017 HOH L O 5105 O O . HOH S . ? 0.6856 0.7349 0.5070 -0.0979 -0.2647 -0.1986 2018 HOH L O 5106 O O . HOH S . ? 0.2733 0.1173 0.2305 -0.0426 0.0580 -0.0590 2019 HOH L O 5107 O O . HOH S . ? 0.2123 0.3467 0.2327 -0.0069 -0.0074 -0.0208 2020 HOH L O 5108 O O . HOH S . ? 0.5934 0.5456 0.2789 -0.1960 0.0710 -0.0299 2021 HOH L O 5109 O O . HOH S . ? 0.1946 0.2135 0.3799 -0.0049 0.0473 0.0275 2022 HOH L O 5110 O O . HOH S . ? 0.3373 0.3680 0.2794 -0.1560 -0.0075 0.0308 2023 HOH L O 5111 O O . HOH S . ? 0.3445 0.4161 0.2963 -0.0107 0.0082 0.0442 2024 HOH L O 5112 O O . HOH S . ? 0.5561 0.3430 0.3124 0.1676 -0.2063 -0.1105 2025 HOH L O 5113 O O . HOH S . ? 0.4169 0.4859 0.9962 0.1387 0.1225 0.1746 2026 HOH L O 5114 O O . HOH S . ? 0.4284 0.6180 0.3208 0.0015 0.0075 0.0598 2027 HOH L O 5115 O O . HOH S . ? 0.3549 0.4195 0.3278 0.0568 0.1064 0.0781 2028 HOH L O 5116 O O . HOH S . ? 0.4151 0.6122 0.5322 0.1630 0.1494 -0.1678 2029 HOH L O # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ILE 1 16 16 ILE ILE H . n A 1 2 VAL 2 17 17 VAL VAL H . n A 1 3 GLU 3 18 18 GLU GLU H . n A 1 4 GLY 4 19 19 GLY GLY H . n A 1 5 SER 5 20 20 SER SER H . n A 1 6 ASP 6 21 21 ASP ASP H . n A 1 7 ALA 7 22 22 ALA ALA H . n A 1 8 GLU 8 23 23 GLU GLU H . n A 1 9 ILE 9 24 24 ILE ILE H . n A 1 10 GLY 10 25 25 GLY GLY H . n A 1 11 MET 11 26 26 MET MET H . n A 1 12 SER 12 27 27 SER SER H . n A 1 13 PRO 13 28 28 PRO PRO H . n A 1 14 TRP 14 29 29 TRP TRP H . n A 1 15 GLN 15 30 30 GLN GLN H . n A 1 16 VAL 16 31 31 VAL VAL H . n A 1 17 MET 17 32 32 MET MET H . n A 1 18 LEU 18 33 33 LEU LEU H . n A 1 19 PHE 19 34 34 PHE PHE H . n A 1 20 ARG 20 35 35 ARG ARG H . n A 1 21 LYS 21 36 36 LYS LYS H . n A 1 22 SER 22 36 36 SER SER H A n A 1 23 PRO 23 37 37 PRO PRO H . n A 1 24 GLN 24 38 38 GLN GLN H . n A 1 25 GLU 25 39 39 GLU GLU H . n A 1 26 LEU 26 40 40 LEU LEU H . n A 1 27 LEU 27 41 41 LEU LEU H . n A 1 28 CYS 28 42 42 CYS CYS H . n A 1 29 GLY 29 43 43 GLY GLY H . n A 1 30 ALA 30 44 44 ALA ALA H . n A 1 31 SER 31 45 45 SER SER H . n A 1 32 LEU 32 46 46 LEU LEU H . n A 1 33 ILE 33 47 47 ILE ILE H . n A 1 34 SER 34 48 48 SER SER H . n A 1 35 ASP 35 49 49 ASP ASP H . n A 1 36 ARG 36 50 50 ARG ARG H . n A 1 37 TRP 37 51 51 TRP TRP H . n A 1 38 VAL 38 52 52 VAL VAL H . n A 1 39 LEU 39 53 53 LEU LEU H . n A 1 40 THR 40 54 54 THR THR H . n A 1 41 ALA 41 55 55 ALA ALA H . n A 1 42 ALA 42 56 56 ALA ALA H . n A 1 43 HIS 43 57 57 HIS HIS H . n A 1 44 CYS 44 58 58 CYS CYS H . n A 1 45 LEU 45 59 59 LEU LEU H . n A 1 46 LEU 46 60 60 LEU LEU H . n A 1 47 TYR 47 60 60 TYR TYR H A n A 1 48 PRO 48 60 60 PRO PRO H B n A 1 49 PRO 49 60 60 PRO PRO H C n A 1 50 TRP 50 60 60 TRP TRP H D n A 1 51 ASP 51 60 60 ASP ASP H E n A 1 52 LYS 52 60 60 LYS LYS H F n A 1 53 ASN 53 60 60 ASN ASN H G n A 1 54 PHE 54 60 60 PHE PHE H H n A 1 55 THR 55 60 60 THR THR H I n A 1 56 GLU 56 61 61 GLU GLU H . n A 1 57 ASN 57 62 62 ASN ASN H . n A 1 58 ASP 58 63 63 ASP ASP H . n A 1 59 LEU 59 64 64 LEU LEU H . n A 1 60 LEU 60 65 65 LEU LEU H . n A 1 61 VAL 61 66 66 VAL VAL H . n A 1 62 ARG 62 67 67 ARG ARG H . n A 1 63 ILE 63 68 68 ILE ILE H . n A 1 64 GLY 64 69 69 GLY GLY H . n A 1 65 LYS 65 70 70 LYS LYS H . n A 1 66 HIS 66 71 71 HIS HIS H . n A 1 67 SER 67 72 72 SER SER H . n A 1 68 ARG 68 73 73 ARG ARG H . n A 1 69 THR 69 74 74 THR THR H . n A 1 70 ARG 70 75 75 ARG ARG H . n A 1 71 TYR 71 76 76 TYR TYR H . n A 1 72 GLU 72 77 77 GLU GLU H . n A 1 73 ARG 73 77 77 ARG ARG H A n A 1 74 ASN 74 78 78 ASN ASN H . n A 1 75 ILE 75 79 79 ILE ILE H . n A 1 76 GLU 76 80 80 GLU GLU H . n A 1 77 LYS 77 81 81 LYS LYS H . n A 1 78 ILE 78 82 82 ILE ILE H . n A 1 79 SER 79 83 83 SER SER H . n A 1 80 MET 80 84 84 MET MET H . n A 1 81 LEU 81 85 85 LEU LEU H . n A 1 82 GLU 82 86 86 GLU GLU H . n A 1 83 LYS 83 87 87 LYS LYS H . n A 1 84 ILE 84 88 88 ILE ILE H . n A 1 85 TYR 85 89 89 TYR TYR H . n A 1 86 ILE 86 90 90 ILE ILE H . n A 1 87 HIS 87 91 91 HIS HIS H . n A 1 88 PRO 88 92 92 PRO PRO H . n A 1 89 ARG 89 93 93 ARG ARG H . n A 1 90 TYR 90 94 94 TYR TYR H . n A 1 91 ASN 91 95 95 ASN ASN H . n A 1 92 TRP 92 96 96 TRP TRP H . n A 1 93 ARG 93 97 97 ARG ARG H . n A 1 94 GLU 94 97 97 GLU GLU H A n A 1 95 ASN 95 98 98 ASN ASN H . n A 1 96 LEU 96 99 99 LEU LEU H . n A 1 97 ASP 97 100 100 ASP ASP H . n A 1 98 ARG 98 101 101 ARG ARG H . n A 1 99 ASP 99 102 102 ASP ASP H . n A 1 100 ILE 100 103 103 ILE ILE H . n A 1 101 ALA 101 104 104 ALA ALA H . n A 1 102 LEU 102 105 105 LEU LEU H . n A 1 103 MET 103 106 106 MET MET H . n A 1 104 LYS 104 107 107 LYS LYS H . n A 1 105 LEU 105 108 108 LEU LEU H . n A 1 106 LYS 106 109 109 LYS LYS H . n A 1 107 LYS 107 110 110 LYS LYS H . n A 1 108 PRO 108 111 111 PRO PRO H . n A 1 109 VAL 109 112 112 VAL VAL H . n A 1 110 ALA 110 113 113 ALA ALA H . n A 1 111 PHE 111 114 114 PHE PHE H . n A 1 112 SER 112 115 115 SER SER H . n A 1 113 ASP 113 116 116 ASP ASP H . n A 1 114 TYR 114 117 117 TYR TYR H . n A 1 115 ILE 115 118 118 ILE ILE H . n A 1 116 HIS 116 119 119 HIS HIS H . n A 1 117 PRO 117 120 120 PRO PRO H . n A 1 118 VAL 118 121 121 VAL VAL H . n A 1 119 CYS 119 122 122 CYS CYS H . n A 1 120 LEU 120 123 123 LEU LEU H . n A 1 121 PRO 121 124 124 PRO PRO H . n A 1 122 ASP 122 125 125 ASP ASP H . n A 1 123 ARG 123 126 126 ARG ARG H . n A 1 124 GLU 124 127 127 GLU GLU H . n A 1 125 THR 125 128 128 THR THR H . n A 1 126 ALA 126 129 129 ALA ALA H . n A 1 127 ALA 127 129 129 ALA ALA H A n A 1 128 SER 128 129 129 SER SER H B n A 1 129 LEU 129 129 129 LEU LEU H C n A 1 130 LEU 130 130 130 LEU LEU H . n A 1 131 GLN 131 131 131 GLN GLN H . n A 1 132 ALA 132 132 132 ALA ALA H . n A 1 133 GLY 133 133 133 GLY GLY H . n A 1 134 TYR 134 134 134 TYR TYR H . n A 1 135 LYS 135 135 135 LYS LYS H . n A 1 136 GLY 136 136 136 GLY GLY H . n A 1 137 ARG 137 137 137 ARG ARG H . n A 1 138 VAL 138 138 138 VAL VAL H . n A 1 139 THR 139 139 139 THR THR H . n A 1 140 GLY 140 140 140 GLY GLY H . n A 1 141 TRP 141 141 141 TRP TRP H . n A 1 142 GLY 142 142 142 GLY GLY H . n A 1 143 ASN 143 143 143 ASN ASN H . n A 1 144 LEU 144 144 144 LEU LEU H . n A 1 145 LYS 145 145 145 LYS LYS H . n A 1 146 GLU 146 146 146 GLU GLU H . n A 1 147 THR 147 147 147 THR THR H . n A 1 148 TRP 148 147 ? ? ? H A n A 1 149 THR 149 147 ? ? ? H B n A 1 150 ALA 150 147 ? ? ? H C n A 1 151 ASN 151 147 ? ? ? H D n A 1 152 VAL 152 147 ? ? ? H E n A 1 153 GLY 153 147 ? ? ? H F n A 1 154 LYS 154 147 ? ? ? H G n A 1 155 GLY 155 150 150 GLY GLY H . n A 1 156 GLN 156 151 151 GLN GLN H . n A 1 157 PRO 157 152 152 PRO PRO H . n A 1 158 SER 158 153 153 SER SER H . n A 1 159 VAL 159 154 154 VAL VAL H . n A 1 160 LEU 160 155 155 LEU LEU H . n A 1 161 GLN 161 156 156 GLN GLN H . n A 1 162 VAL 162 157 157 VAL VAL H . n A 1 163 VAL 163 158 158 VAL VAL H . n A 1 164 ASN 164 159 159 ASN ASN H . n A 1 165 LEU 165 160 160 LEU LEU H . n A 1 166 PRO 166 161 161 PRO PRO H . n A 1 167 ILE 167 162 162 ILE ILE H . n A 1 168 VAL 168 163 163 VAL VAL H . n A 1 169 GLU 169 164 164 GLU GLU H . n A 1 170 ARG 170 165 165 ARG ARG H . n A 1 171 PRO 171 166 166 PRO PRO H . n A 1 172 VAL 172 167 167 VAL VAL H . n A 1 173 CYS 173 168 168 CYS CYS H . n A 1 174 LYS 174 169 169 LYS LYS H . n A 1 175 ASP 175 170 170 ASP ASP H . n A 1 176 SER 176 171 171 SER SER H . n A 1 177 THR 177 172 172 THR THR H . n A 1 178 ARG 178 173 173 ARG ARG H . n A 1 179 ILE 179 174 174 ILE ILE H . n A 1 180 ARG 180 175 175 ARG ARG H . n A 1 181 ILE 181 176 176 ILE ILE H . n A 1 182 THR 182 177 177 THR THR H . n A 1 183 ASP 183 178 178 ASP ASP H . n A 1 184 ASN 184 179 179 ASN ASN H . n A 1 185 MET 185 180 180 MET MET H . n A 1 186 PHE 186 181 181 PHE PHE H . n A 1 187 CYS 187 182 182 CYS CYS H . n A 1 188 ALA 188 183 183 ALA ALA H . n A 1 189 GLY 189 184 184 GLY GLY H . n A 1 190 TYR 190 184 184 TYR TYR H A n A 1 191 LYS 191 185 185 LYS LYS H . n A 1 192 PRO 192 186 186 PRO PRO H . n A 1 193 ASP 193 186 186 ASP ASP H A n A 1 194 GLU 194 186 186 GLU GLU H B n A 1 195 GLY 195 186 186 GLY GLY H C n A 1 196 LYS 196 186 186 LYS LYS H D n A 1 197 ARG 197 187 187 ARG ARG H . n A 1 198 GLY 198 188 188 GLY GLY H . n A 1 199 ASP 199 189 189 ASP ASP H . n A 1 200 ALA 200 190 190 ALA ALA H . n A 1 201 CYS 201 191 191 CYS CYS H . n A 1 202 GLU 202 192 192 GLU GLU H . n A 1 203 GLY 203 193 193 GLY GLY H . n A 1 204 ASP 204 194 194 ASP ASP H . n A 1 205 SER 205 195 195 SER SER H . n A 1 206 GLY 206 196 196 GLY GLY H . n A 1 207 GLY 207 197 197 GLY GLY H . n A 1 208 PRO 208 198 198 PRO PRO H . n A 1 209 PHE 209 199 199 PHE PHE H . n A 1 210 VAL 210 200 200 VAL VAL H . n A 1 211 MET 211 201 201 MET MET H . n A 1 212 LYS 212 202 202 LYS LYS H . n A 1 213 SER 213 203 203 SER SER H . n A 1 214 PRO 214 204 204 PRO PRO H . n A 1 215 PHE 215 204 204 PHE PHE H A n A 1 216 ASN 216 204 204 ASN ASN H B n A 1 217 ASN 217 205 205 ASN ASN H . n A 1 218 ARG 218 206 206 ARG ARG H . n A 1 219 TRP 219 207 207 TRP TRP H . n A 1 220 TYR 220 208 208 TYR TYR H . n A 1 221 GLN 221 209 209 GLN GLN H . n A 1 222 MET 222 210 210 MET MET H . n A 1 223 GLY 223 211 211 GLY GLY H . n A 1 224 ILE 224 212 212 ILE ILE H . n A 1 225 VAL 225 213 213 VAL VAL H . n A 1 226 SER 226 214 214 SER SER H . n A 1 227 TRP 227 215 215 TRP TRP H . n A 1 228 GLY 228 216 216 GLY GLY H . n A 1 229 GLU 229 217 217 GLU GLU H . n A 1 230 GLY 230 219 219 GLY GLY H . n A 1 231 CYS 231 220 220 CYS CYS H . n A 1 232 ASP 232 221 221 ASP ASP H . n A 1 233 ARG 233 221 221 ARG ARG H A n A 1 234 ASP 234 222 222 ASP ASP H . n A 1 235 GLY 235 223 223 GLY GLY H . n A 1 236 LYS 236 224 224 LYS LYS H . n A 1 237 TYR 237 225 225 TYR TYR H . n A 1 238 GLY 238 226 226 GLY GLY H . n A 1 239 PHE 239 227 227 PHE PHE H . n A 1 240 TYR 240 228 228 TYR TYR H . n A 1 241 THR 241 229 229 THR THR H . n A 1 242 HIS 242 230 230 HIS HIS H . n A 1 243 VAL 243 231 231 VAL VAL H . n A 1 244 PHE 244 232 232 PHE PHE H . n A 1 245 ARG 245 233 233 ARG ARG H . n A 1 246 LEU 246 234 234 LEU LEU H . n A 1 247 LYS 247 235 235 LYS LYS H . n A 1 248 LYS 248 236 236 LYS LYS H . n A 1 249 TRP 249 237 237 TRP TRP H . n A 1 250 ILE 250 238 238 ILE ILE H . n A 1 251 GLN 251 239 239 GLN GLN H . n A 1 252 LYS 252 240 240 LYS LYS H . n A 1 253 VAL 253 241 241 VAL VAL H . n A 1 254 ILE 254 242 242 ILE ILE H . n A 1 255 ASP 255 243 243 ASP ASP H . n A 1 256 GLN 256 244 244 GLN GLN H . n A 1 257 PHE 257 245 245 PHE PHE H . n A 1 258 GLY 258 246 246 GLY GLY H . n B 2 1 GLY 1 554 554 GLY GLY I . n B 2 2 ASP 2 555 555 ASP ASP I . n B 2 3 PHE 3 556 556 PHE PHE I . n B 2 4 GLU 4 557 557 GLU GLU I . n B 2 5 GLU 5 558 558 GLU GLU I . n B 2 6 ILE 6 559 559 ILE ILE I . n B 2 7 PRO 7 560 560 PRO PRO I . n B 2 8 GLU 8 561 561 GLU GLU I . n B 2 9 GLU 9 562 562 GLU GLU I . n B 2 10 TYS 10 563 563 TYS TYS I . n B 2 11 LEU 11 564 564 LEU LEU I . n B 2 12 GLN 12 565 565 GLN GLN I . n C 3 1 GLU 1 1 1 GLU GLU L C n C 3 2 ALA 2 1 1 ALA ALA L B n C 3 3 ASP 3 1 1 ASP ASP L A n C 3 4 CYS 4 1 1 CYS CYS L . n C 3 5 GLY 5 2 2 GLY GLY L . n C 3 6 LEU 6 3 3 LEU LEU L . n C 3 7 ARG 7 4 4 ARG ARG L . n C 3 8 PRO 8 5 5 PRO PRO L . n C 3 9 LEU 9 6 6 LEU LEU L . n C 3 10 PHE 10 7 7 PHE PHE L . n C 3 11 GLU 11 8 8 GLU GLU L . n C 3 12 LYS 12 9 9 LYS LYS L . n C 3 13 LYS 13 10 10 LYS LYS L . n C 3 14 SER 14 11 11 SER SER L . n C 3 15 LEU 15 12 12 LEU LEU L . n C 3 16 GLU 16 13 13 GLU GLU L . n C 3 17 ASP 17 14 14 ASP ASP L . n C 3 18 LYS 18 14 14 LYS LYS L A n C 3 19 THR 19 14 14 THR THR L B n C 3 20 GLU 20 14 14 GLU GLU L C n C 3 21 ARG 21 14 14 ARG ARG L D n C 3 22 GLU 22 14 14 GLU GLU L E n C 3 23 LEU 23 14 14 LEU LEU L F n C 3 24 LEU 24 14 14 LEU LEU L G n C 3 25 GLU 25 14 14 GLU GLU L H n C 3 26 SER 26 14 14 SER SER L I n C 3 27 TYR 27 14 14 TYR TYR L J n C 3 28 ILE 28 14 14 ILE ILE L K n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code D 4 IOD 1 1247 1247 IOD IOD H . E 5 GOL 1 1248 1248 GOL GOL H . F 5 GOL 1 1249 1249 GOL GOL H . G 5 GOL 1 1250 1250 GOL GOL H . H 6 NA 1 1251 1251 NA NA H . I 6 NA 1 1252 1252 NA NA H . J 7 PO4 1 1253 1253 PO4 PO4 H . K 8 DMS 1 1254 1254 DMS DMS H . L 8 DMS 1 1255 1255 DMS DMS H . M 9 EDO 1 1256 1256 EDO EDO H . N 8 DMS 1 1257 1257 DMS DMS H . O 10 MRZ 1 1258 1258 MRZ MRZ H . P 11 NAG 1 1259 1259 NAG NAG H . Q 12 HOH 1 2001 2001 HOH HOH H . Q 12 HOH 2 2002 2002 HOH HOH H . Q 12 HOH 3 2003 2003 HOH HOH H . Q 12 HOH 4 2004 2004 HOH HOH H . Q 12 HOH 5 2005 2005 HOH HOH H . Q 12 HOH 6 2006 2006 HOH HOH H . Q 12 HOH 7 2007 2007 HOH HOH H . Q 12 HOH 8 2008 2008 HOH HOH H . Q 12 HOH 9 2009 2009 HOH HOH H . Q 12 HOH 10 2010 2010 HOH HOH H . Q 12 HOH 11 2011 2011 HOH HOH H . Q 12 HOH 12 2012 2012 HOH HOH H . Q 12 HOH 13 2013 2013 HOH HOH H . Q 12 HOH 14 2014 2014 HOH HOH H . Q 12 HOH 15 2015 2015 HOH HOH H . Q 12 HOH 16 2016 2016 HOH HOH H . Q 12 HOH 17 2017 2017 HOH HOH H . Q 12 HOH 18 2018 2018 HOH HOH H . Q 12 HOH 19 2019 2019 HOH HOH H . Q 12 HOH 20 2020 2020 HOH HOH H . Q 12 HOH 21 2021 2021 HOH HOH H . Q 12 HOH 22 2022 2022 HOH HOH H . Q 12 HOH 23 2023 2023 HOH HOH H . Q 12 HOH 24 2024 2024 HOH HOH H . Q 12 HOH 25 2025 2025 HOH HOH H . Q 12 HOH 26 2026 2026 HOH HOH H . Q 12 HOH 27 2027 2027 HOH HOH H . Q 12 HOH 28 2028 2028 HOH HOH H . Q 12 HOH 29 2029 2029 HOH HOH H . Q 12 HOH 30 2030 2030 HOH HOH H . Q 12 HOH 31 2031 2031 HOH HOH H . Q 12 HOH 32 2032 2032 HOH HOH H . Q 12 HOH 33 2033 2033 HOH HOH H . Q 12 HOH 34 2034 2034 HOH HOH H . Q 12 HOH 35 2035 2035 HOH HOH H . Q 12 HOH 36 2036 2036 HOH HOH H . Q 12 HOH 37 2037 2037 HOH HOH H . Q 12 HOH 38 2038 2038 HOH HOH H . Q 12 HOH 39 2039 2039 HOH HOH H . Q 12 HOH 40 2040 2040 HOH HOH H . Q 12 HOH 41 2041 2041 HOH HOH H . Q 12 HOH 42 2042 2042 HOH HOH H . Q 12 HOH 43 2043 2043 HOH HOH H . Q 12 HOH 44 2044 2044 HOH HOH H . Q 12 HOH 45 2045 2045 HOH HOH H . Q 12 HOH 46 2046 2046 HOH HOH H . Q 12 HOH 47 2047 2047 HOH HOH H . Q 12 HOH 48 2048 2048 HOH HOH H . Q 12 HOH 49 2049 2049 HOH HOH H . Q 12 HOH 50 2050 2050 HOH HOH H . Q 12 HOH 51 2051 2051 HOH HOH H . Q 12 HOH 52 2052 2052 HOH HOH H . Q 12 HOH 53 2053 2053 HOH HOH H . Q 12 HOH 54 2054 2054 HOH HOH H . Q 12 HOH 55 2055 2055 HOH HOH H . Q 12 HOH 56 2056 2056 HOH HOH H . Q 12 HOH 57 2057 2057 HOH HOH H . Q 12 HOH 58 2058 2058 HOH HOH H . Q 12 HOH 59 2059 2059 HOH HOH H . Q 12 HOH 60 2060 2060 HOH HOH H . Q 12 HOH 61 2061 2061 HOH HOH H . Q 12 HOH 62 2062 2062 HOH HOH H . Q 12 HOH 63 2063 2063 HOH HOH H . Q 12 HOH 64 2064 2064 HOH HOH H . Q 12 HOH 65 2065 2065 HOH HOH H . Q 12 HOH 66 2066 2066 HOH HOH H . Q 12 HOH 67 2067 2067 HOH HOH H . Q 12 HOH 68 2068 2068 HOH HOH H . Q 12 HOH 69 2069 2069 HOH HOH H . Q 12 HOH 70 2070 2070 HOH HOH H . Q 12 HOH 71 2071 2071 HOH HOH H . Q 12 HOH 72 2072 2072 HOH HOH H . Q 12 HOH 73 2073 2073 HOH HOH H . Q 12 HOH 74 2074 2074 HOH HOH H . Q 12 HOH 75 2075 2075 HOH HOH H . Q 12 HOH 76 2076 2076 HOH HOH H . Q 12 HOH 77 2077 2077 HOH HOH H . Q 12 HOH 78 2078 2078 HOH HOH H . Q 12 HOH 79 2079 2079 HOH HOH H . Q 12 HOH 80 2080 2080 HOH HOH H . Q 12 HOH 81 2081 2081 HOH HOH H . Q 12 HOH 82 2082 2082 HOH HOH H . Q 12 HOH 83 2083 2083 HOH HOH H . Q 12 HOH 84 2084 2084 HOH HOH H . Q 12 HOH 85 2085 2085 HOH HOH H . Q 12 HOH 86 2086 2086 HOH HOH H . Q 12 HOH 87 2087 2087 HOH HOH H . Q 12 HOH 88 2088 2088 HOH HOH H . Q 12 HOH 89 2089 2089 HOH HOH H . Q 12 HOH 90 2090 2090 HOH HOH H . Q 12 HOH 91 2091 2091 HOH HOH H . Q 12 HOH 92 2092 2092 HOH HOH H . Q 12 HOH 93 2093 2093 HOH HOH H . Q 12 HOH 94 2094 2094 HOH HOH H . Q 12 HOH 95 2095 2095 HOH HOH H . Q 12 HOH 96 2096 2096 HOH HOH H . Q 12 HOH 97 2097 2097 HOH HOH H . Q 12 HOH 98 2098 2098 HOH HOH H . Q 12 HOH 99 2099 2099 HOH HOH H . Q 12 HOH 100 2100 2100 HOH HOH H . Q 12 HOH 101 2101 2101 HOH HOH H . Q 12 HOH 102 2102 2102 HOH HOH H . Q 12 HOH 103 2103 2103 HOH HOH H . Q 12 HOH 104 2104 2104 HOH HOH H . Q 12 HOH 105 2105 2105 HOH HOH H . Q 12 HOH 106 2106 2106 HOH HOH H . Q 12 HOH 107 2107 2107 HOH HOH H . Q 12 HOH 108 2108 2108 HOH HOH H . Q 12 HOH 109 2109 2109 HOH HOH H . Q 12 HOH 110 2110 2110 HOH HOH H . Q 12 HOH 111 2111 2111 HOH HOH H . Q 12 HOH 112 2112 2112 HOH HOH H . Q 12 HOH 113 2113 2113 HOH HOH H . Q 12 HOH 114 2114 2114 HOH HOH H . Q 12 HOH 115 2115 2115 HOH HOH H . Q 12 HOH 116 2116 2116 HOH HOH H . Q 12 HOH 117 2117 2117 HOH HOH H . Q 12 HOH 118 2118 2118 HOH HOH H . Q 12 HOH 119 2119 2119 HOH HOH H . Q 12 HOH 120 2120 2120 HOH HOH H . Q 12 HOH 121 2121 2121 HOH HOH H . Q 12 HOH 122 2122 2122 HOH HOH H . Q 12 HOH 123 2123 2123 HOH HOH H . Q 12 HOH 124 2124 2124 HOH HOH H . Q 12 HOH 125 2125 2125 HOH HOH H . Q 12 HOH 126 2126 2126 HOH HOH H . Q 12 HOH 127 2127 2127 HOH HOH H . Q 12 HOH 128 2128 2128 HOH HOH H . Q 12 HOH 129 2129 2129 HOH HOH H . Q 12 HOH 130 2130 2130 HOH HOH H . Q 12 HOH 131 2131 2131 HOH HOH H . Q 12 HOH 132 2132 2132 HOH HOH H . Q 12 HOH 133 2133 2133 HOH HOH H . Q 12 HOH 134 2134 2134 HOH HOH H . Q 12 HOH 135 2135 2135 HOH HOH H . Q 12 HOH 136 2136 2136 HOH HOH H . Q 12 HOH 137 2137 2137 HOH HOH H . Q 12 HOH 138 2138 2138 HOH HOH H . Q 12 HOH 139 2139 2139 HOH HOH H . Q 12 HOH 140 2140 2140 HOH HOH H . Q 12 HOH 141 2141 2141 HOH HOH H . Q 12 HOH 142 2142 2142 HOH HOH H . Q 12 HOH 143 2143 2143 HOH HOH H . Q 12 HOH 144 2144 2144 HOH HOH H . Q 12 HOH 145 2145 2145 HOH HOH H . Q 12 HOH 146 2146 2146 HOH HOH H . Q 12 HOH 147 2147 2147 HOH HOH H . Q 12 HOH 148 2148 2148 HOH HOH H . Q 12 HOH 149 2149 2149 HOH HOH H . Q 12 HOH 150 2150 2150 HOH HOH H . Q 12 HOH 151 2151 2151 HOH HOH H . Q 12 HOH 152 2152 2152 HOH HOH H . Q 12 HOH 153 2153 2153 HOH HOH H . Q 12 HOH 154 2154 2154 HOH HOH H . Q 12 HOH 155 2155 2155 HOH HOH H . Q 12 HOH 156 2156 2156 HOH HOH H . Q 12 HOH 157 2157 2157 HOH HOH H . Q 12 HOH 158 2158 2158 HOH HOH H . Q 12 HOH 159 2159 2159 HOH HOH H . Q 12 HOH 160 2160 2160 HOH HOH H . Q 12 HOH 161 2161 2161 HOH HOH H . Q 12 HOH 162 2162 2162 HOH HOH H . Q 12 HOH 163 2163 2163 HOH HOH H . Q 12 HOH 164 2164 2164 HOH HOH H . Q 12 HOH 165 2165 2165 HOH HOH H . Q 12 HOH 166 2166 2166 HOH HOH H . Q 12 HOH 167 2167 2167 HOH HOH H . Q 12 HOH 168 2168 2168 HOH HOH H . Q 12 HOH 169 2169 2169 HOH HOH H . Q 12 HOH 170 2170 2170 HOH HOH H . Q 12 HOH 171 2171 2171 HOH HOH H . Q 12 HOH 172 2172 2172 HOH HOH H . Q 12 HOH 173 2173 2173 HOH HOH H . Q 12 HOH 174 2174 2174 HOH HOH H . Q 12 HOH 175 2175 2175 HOH HOH H . Q 12 HOH 176 2176 2176 HOH HOH H . Q 12 HOH 177 2177 2177 HOH HOH H . Q 12 HOH 178 2178 2178 HOH HOH H . Q 12 HOH 179 2179 2179 HOH HOH H . Q 12 HOH 180 2180 2180 HOH HOH H . Q 12 HOH 181 2181 2181 HOH HOH H . Q 12 HOH 182 2182 2182 HOH HOH H . Q 12 HOH 183 2183 2183 HOH HOH H . Q 12 HOH 184 2184 2184 HOH HOH H . Q 12 HOH 185 2185 2185 HOH HOH H . Q 12 HOH 186 2186 2186 HOH HOH H . Q 12 HOH 187 2187 2187 HOH HOH H . Q 12 HOH 188 2189 2189 HOH HOH H . Q 12 HOH 189 2190 2190 HOH HOH H . Q 12 HOH 190 2191 2191 HOH HOH H . Q 12 HOH 191 2192 2192 HOH HOH H . Q 12 HOH 192 2193 2193 HOH HOH H . Q 12 HOH 193 2194 2194 HOH HOH H . Q 12 HOH 194 2195 2195 HOH HOH H . Q 12 HOH 195 2196 2196 HOH HOH H . Q 12 HOH 196 2197 2197 HOH HOH H . Q 12 HOH 197 2198 2198 HOH HOH H . Q 12 HOH 198 2199 2199 HOH HOH H . Q 12 HOH 199 2200 2200 HOH HOH H . Q 12 HOH 200 2201 2201 HOH HOH H . Q 12 HOH 201 2202 2202 HOH HOH H . Q 12 HOH 202 2203 2203 HOH HOH H . Q 12 HOH 203 2204 2204 HOH HOH H . Q 12 HOH 204 2205 2205 HOH HOH H . Q 12 HOH 205 2206 2206 HOH HOH H . Q 12 HOH 206 2207 2207 HOH HOH H . Q 12 HOH 207 2208 2208 HOH HOH H . Q 12 HOH 208 2209 2209 HOH HOH H . Q 12 HOH 209 2210 2210 HOH HOH H . Q 12 HOH 210 2211 2211 HOH HOH H . Q 12 HOH 211 2212 2212 HOH HOH H . Q 12 HOH 212 2213 2213 HOH HOH H . Q 12 HOH 213 2214 2214 HOH HOH H . Q 12 HOH 214 2215 2215 HOH HOH H . Q 12 HOH 215 2216 2216 HOH HOH H . Q 12 HOH 216 2217 2217 HOH HOH H . Q 12 HOH 217 2218 2218 HOH HOH H . Q 12 HOH 218 2219 2219 HOH HOH H . Q 12 HOH 219 2220 2220 HOH HOH H . Q 12 HOH 220 2221 2221 HOH HOH H . Q 12 HOH 221 2222 2222 HOH HOH H . Q 12 HOH 222 2223 2223 HOH HOH H . Q 12 HOH 223 2224 2224 HOH HOH H . Q 12 HOH 224 2225 2225 HOH HOH H . Q 12 HOH 225 2226 2226 HOH HOH H . Q 12 HOH 226 2227 2227 HOH HOH H . Q 12 HOH 227 2228 2228 HOH HOH H . Q 12 HOH 228 2229 2229 HOH HOH H . Q 12 HOH 229 2230 2230 HOH HOH H . Q 12 HOH 230 2231 2231 HOH HOH H . Q 12 HOH 231 2232 2232 HOH HOH H . Q 12 HOH 232 2233 2233 HOH HOH H . Q 12 HOH 233 2234 2234 HOH HOH H . Q 12 HOH 234 2235 2235 HOH HOH H . Q 12 HOH 235 2236 2236 HOH HOH H . Q 12 HOH 236 2237 2237 HOH HOH H . Q 12 HOH 237 2238 2238 HOH HOH H . Q 12 HOH 238 2239 2239 HOH HOH H . Q 12 HOH 239 2240 2240 HOH HOH H . Q 12 HOH 240 2241 2241 HOH HOH H . Q 12 HOH 241 2242 2242 HOH HOH H . Q 12 HOH 242 2243 2243 HOH HOH H . Q 12 HOH 243 2244 2244 HOH HOH H . Q 12 HOH 244 2245 2245 HOH HOH H . Q 12 HOH 245 2246 2246 HOH HOH H . Q 12 HOH 246 2247 2247 HOH HOH H . Q 12 HOH 247 2248 2248 HOH HOH H . Q 12 HOH 248 2249 2249 HOH HOH H . Q 12 HOH 249 2250 2250 HOH HOH H . Q 12 HOH 250 2251 2251 HOH HOH H . Q 12 HOH 251 2252 2252 HOH HOH H . Q 12 HOH 252 2254 2254 HOH HOH H . Q 12 HOH 253 2255 2255 HOH HOH H . Q 12 HOH 254 2256 2256 HOH HOH H . Q 12 HOH 255 2257 2257 HOH HOH H . Q 12 HOH 256 2258 2258 HOH HOH H . Q 12 HOH 257 2259 2259 HOH HOH H . Q 12 HOH 258 2260 2260 HOH HOH H . Q 12 HOH 259 2261 2261 HOH HOH H . Q 12 HOH 260 2262 2262 HOH HOH H . Q 12 HOH 261 2263 2263 HOH HOH H . Q 12 HOH 262 2264 2264 HOH HOH H . Q 12 HOH 263 2265 2265 HOH HOH H . Q 12 HOH 264 2266 2266 HOH HOH H . Q 12 HOH 265 2267 2267 HOH HOH H . Q 12 HOH 266 2268 2268 HOH HOH H . Q 12 HOH 267 2269 2269 HOH HOH H . Q 12 HOH 268 2270 2270 HOH HOH H . Q 12 HOH 269 2271 2271 HOH HOH H . Q 12 HOH 270 2272 2272 HOH HOH H . Q 12 HOH 271 2273 2273 HOH HOH H . Q 12 HOH 272 2274 2274 HOH HOH H . Q 12 HOH 273 2275 2275 HOH HOH H . Q 12 HOH 274 2276 2276 HOH HOH H . Q 12 HOH 275 2277 2277 HOH HOH H . Q 12 HOH 276 2278 2278 HOH HOH H . Q 12 HOH 277 2279 2279 HOH HOH H . Q 12 HOH 278 2280 2280 HOH HOH H . Q 12 HOH 279 2281 2281 HOH HOH H . Q 12 HOH 280 2282 2282 HOH HOH H . Q 12 HOH 281 2283 2283 HOH HOH H . Q 12 HOH 282 2285 2285 HOH HOH H . Q 12 HOH 283 2286 2286 HOH HOH H . Q 12 HOH 284 2287 2287 HOH HOH H . Q 12 HOH 285 2288 2288 HOH HOH H . Q 12 HOH 286 2289 2289 HOH HOH H . Q 12 HOH 287 2290 2290 HOH HOH H . Q 12 HOH 288 2291 2291 HOH HOH H . Q 12 HOH 289 2292 2292 HOH HOH H . R 12 HOH 1 2001 2001 HOH HOH I . R 12 HOH 2 2002 2002 HOH HOH I . R 12 HOH 3 2003 2003 HOH HOH I . R 12 HOH 4 2004 2004 HOH HOH I . S 12 HOH 1 2001 2001 HOH HOH L . S 12 HOH 2 2002 2002 HOH HOH L . S 12 HOH 3 2003 2003 HOH HOH L . S 12 HOH 4 2004 2004 HOH HOH L . S 12 HOH 5 2005 2005 HOH HOH L . S 12 HOH 6 2006 2006 HOH HOH L . S 12 HOH 7 2007 2007 HOH HOH L . S 12 HOH 8 2008 2008 HOH HOH L . S 12 HOH 9 2009 2009 HOH HOH L . S 12 HOH 10 2010 2010 HOH HOH L . S 12 HOH 11 2011 2011 HOH HOH L . S 12 HOH 12 2012 2012 HOH HOH L . S 12 HOH 13 2013 2013 HOH HOH L . S 12 HOH 14 2014 2014 HOH HOH L . S 12 HOH 15 2015 2015 HOH HOH L . S 12 HOH 16 2016 2016 HOH HOH L . S 12 HOH 17 2017 2017 HOH HOH L . S 12 HOH 18 2018 2018 HOH HOH L . S 12 HOH 19 2019 2019 HOH HOH L . S 12 HOH 20 2020 2020 HOH HOH L . S 12 HOH 21 2021 2021 HOH HOH L . S 12 HOH 22 2022 2022 HOH HOH L . S 12 HOH 23 2023 2023 HOH HOH L . S 12 HOH 24 2024 2024 HOH HOH L . S 12 HOH 25 2025 2025 HOH HOH L . S 12 HOH 26 2026 2026 HOH HOH L . S 12 HOH 27 2027 2027 HOH HOH L . S 12 HOH 28 2028 2028 HOH HOH L . S 12 HOH 29 2029 2029 HOH HOH L . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 53 H ASN 60 G ASN 'GLYCOSYLATION SITE' 2 B TYS 10 I TYS 563 ? TYR O-SULFO-L-TYROSINE # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details trimeric _pdbx_struct_assembly.oligomeric_count 3 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 5610 ? 1 MORE -33.7 ? 1 'SSA (A^2)' 12940 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # _pdbx_struct_special_symmetry.id 1 _pdbx_struct_special_symmetry.PDB_model_num 1 _pdbx_struct_special_symmetry.auth_asym_id H _pdbx_struct_special_symmetry.auth_comp_id ARG _pdbx_struct_special_symmetry.auth_seq_id 75 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id A _pdbx_struct_special_symmetry.label_comp_id ARG _pdbx_struct_special_symmetry.label_seq_id 70 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 O ? A THR 177 ? H THR 172 ? 1_555 NA ? H NA . ? H NA 1251 ? 1_555 O A A LYS 174 ? H LYS 169 ? 1_555 82.9 ? 2 O ? A THR 177 ? H THR 172 ? 1_555 NA ? H NA . ? H NA 1251 ? 1_555 O B A LYS 174 ? H LYS 169 ? 1_555 83.1 ? 3 O A A LYS 174 ? H LYS 169 ? 1_555 NA ? H NA . ? H NA 1251 ? 1_555 O B A LYS 174 ? H LYS 169 ? 1_555 0.2 ? 4 O ? A THR 177 ? H THR 172 ? 1_555 NA ? H NA . ? H NA 1251 ? 1_555 O ? Q HOH . ? H HOH 2209 ? 1_555 77.5 ? 5 O A A LYS 174 ? H LYS 169 ? 1_555 NA ? H NA . ? H NA 1251 ? 1_555 O ? Q HOH . ? H HOH 2209 ? 1_555 68.7 ? 6 O B A LYS 174 ? H LYS 169 ? 1_555 NA ? H NA . ? H NA 1251 ? 1_555 O ? Q HOH . ? H HOH 2209 ? 1_555 68.7 ? 7 O ? Q HOH . ? H HOH 2227 ? 1_555 NA ? I NA . ? H NA 1252 ? 1_555 O ? A LYS 236 ? H LYS 224 ? 1_555 70.6 ? 8 O ? Q HOH . ? H HOH 2227 ? 1_555 NA ? I NA . ? H NA 1252 ? 1_555 O ? A ARG 233 ? H ARG 221 A 1_555 161.5 ? 9 O ? A LYS 236 ? H LYS 224 ? 1_555 NA ? I NA . ? H NA 1252 ? 1_555 O ? A ARG 233 ? H ARG 221 A 1_555 92.8 ? 10 O ? Q HOH . ? H HOH 2227 ? 1_555 NA ? I NA . ? H NA 1252 ? 1_555 O ? Q HOH . ? H HOH 2239 ? 1_555 89.3 ? 11 O ? A LYS 236 ? H LYS 224 ? 1_555 NA ? I NA . ? H NA 1252 ? 1_555 O ? Q HOH . ? H HOH 2239 ? 1_555 82.6 ? 12 O ? A ARG 233 ? H ARG 221 A 1_555 NA ? I NA . ? H NA 1252 ? 1_555 O ? Q HOH . ? H HOH 2239 ? 1_555 96.7 ? 13 O ? Q HOH . ? H HOH 2227 ? 1_555 NA ? I NA . ? H NA 1252 ? 1_555 O ? Q HOH . ? H HOH 2268 ? 1_555 89.1 ? 14 O ? A LYS 236 ? H LYS 224 ? 1_555 NA ? I NA . ? H NA 1252 ? 1_555 O ? Q HOH . ? H HOH 2268 ? 1_555 159.6 ? 15 O ? A ARG 233 ? H ARG 221 A 1_555 NA ? I NA . ? H NA 1252 ? 1_555 O ? Q HOH . ? H HOH 2268 ? 1_555 107.6 ? 16 O ? Q HOH . ? H HOH 2239 ? 1_555 NA ? I NA . ? H NA 1252 ? 1_555 O ? Q HOH . ? H HOH 2268 ? 1_555 95.3 ? 17 O ? Q HOH . ? H HOH 2227 ? 1_555 NA ? I NA . ? H NA 1252 ? 1_555 O ? Q HOH . ? H HOH 2228 ? 1_555 83.8 ? 18 O ? A LYS 236 ? H LYS 224 ? 1_555 NA ? I NA . ? H NA 1252 ? 1_555 O ? Q HOH . ? H HOH 2228 ? 1_555 94.1 ? 19 O ? A ARG 233 ? H ARG 221 A 1_555 NA ? I NA . ? H NA 1252 ? 1_555 O ? Q HOH . ? H HOH 2228 ? 1_555 89.6 ? 20 O ? Q HOH . ? H HOH 2239 ? 1_555 NA ? I NA . ? H NA 1252 ? 1_555 O ? Q HOH . ? H HOH 2228 ? 1_555 173.1 ? 21 O ? Q HOH . ? H HOH 2268 ? 1_555 NA ? I NA . ? H NA 1252 ? 1_555 O ? Q HOH . ? H HOH 2228 ? 1_555 85.7 ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2015-08-26 2 'Structure model' 1 1 2015-09-23 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal PHENIX refinement '(PHENIX.REFINE)' ? 1 HKL-2000 'data reduction' . ? 2 HKL-2000 'data scaling' . ? 3 PHASER phasing . ? 4 # _pdbx_database_remark.id 700 _pdbx_database_remark.text ; SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "HB" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 6-STRANDED BARREL THIS IS REPRESENTED BY A 7-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. ; # _pdbx_entry_details.entry_id 4UE7 _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ;ASP 14L WAS NOT BUILD DUE TO LACK OF ELECTRON DESITY RESIDUES 148-149E WERE NOT BUILD DUE TO LACK OF ELECTRON DENSITY ; # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 O _pdbx_validate_close_contact.auth_asym_id_1 H _pdbx_validate_close_contact.auth_comp_id_1 HOH _pdbx_validate_close_contact.auth_seq_id_1 2143 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 O _pdbx_validate_close_contact.auth_asym_id_2 H _pdbx_validate_close_contact.auth_comp_id_2 HOH _pdbx_validate_close_contact.auth_seq_id_2 2222 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.15 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 TYR H 60 A ? -151.71 85.03 2 1 ASN H 60 G ? -158.03 79.84 3 1 HIS H 71 ? ? -130.69 -63.58 4 1 ILE H 79 ? ? -126.47 -63.31 5 1 GLU H 97 A ? -116.45 -72.43 6 1 PHE L 7 ? ? -130.59 -91.62 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 H SER 36 A OG ? A SER 22 OG 2 1 Y 1 H ARG 50 ? CG ? A ARG 36 CG 3 1 Y 1 H ARG 50 ? CD ? A ARG 36 CD 4 1 Y 1 H ARG 50 ? NE ? A ARG 36 NE 5 1 Y 1 H ARG 50 ? CZ ? A ARG 36 CZ 6 1 Y 1 H ARG 50 ? NH1 ? A ARG 36 NH1 7 1 Y 1 H ARG 50 ? NH2 ? A ARG 36 NH2 8 1 Y 1 H ASN 62 ? OD1 ? A ASN 57 OD1 9 1 Y 1 H ASN 62 ? ND2 ? A ASN 57 ND2 10 1 Y 1 H MET 84 ? CE ? A MET 80 CE 11 1 Y 1 H LYS 107 ? NZ ? A LYS 104 NZ 12 1 Y 1 H LYS 110 ? CE ? A LYS 107 CE 13 1 Y 1 H LYS 110 ? NZ ? A LYS 107 NZ 14 1 Y 1 H LYS 145 ? CE ? A LYS 145 CE 15 1 Y 1 H LYS 145 ? NZ ? A LYS 145 NZ 16 1 Y 1 H THR 147 ? OG1 ? A THR 147 OG1 17 1 Y 1 H THR 147 ? CG2 ? A THR 147 CG2 18 1 Y 1 H ASP 186 A CG ? A ASP 193 CG 19 1 Y 1 H ASP 186 A OD1 ? A ASP 193 OD1 20 1 Y 1 H ASP 186 A OD2 ? A ASP 193 OD2 21 1 Y 1 H LYS 236 ? CD ? A LYS 248 CD 22 1 Y 1 H LYS 236 ? CE ? A LYS 248 CE 23 1 Y 1 H LYS 236 ? NZ ? A LYS 248 NZ 24 1 Y 1 H LYS 240 ? CE ? A LYS 252 CE 25 1 Y 1 H LYS 240 ? NZ ? A LYS 252 NZ 26 1 Y 1 H GLN 244 ? CG ? A GLN 256 CG 27 1 Y 1 H GLN 244 ? CD ? A GLN 256 CD 28 1 Y 1 H GLN 244 ? OE1 ? A GLN 256 OE1 29 1 Y 1 H GLN 244 ? NE2 ? A GLN 256 NE2 30 1 Y 1 I GLY 554 ? N ? B GLY 1 N 31 1 Y 1 I GLY 554 ? CA ? B GLY 1 CA 32 1 Y 1 I ASP 555 ? CG ? B ASP 2 CG 33 1 Y 1 I ASP 555 ? OD1 ? B ASP 2 OD1 34 1 Y 1 I ASP 555 ? OD2 ? B ASP 2 OD2 35 1 Y 1 I GLU 558 ? CG ? B GLU 5 CG 36 1 Y 1 I GLU 558 ? CD ? B GLU 5 CD 37 1 Y 1 I GLU 558 ? OE1 ? B GLU 5 OE1 38 1 Y 1 I GLU 558 ? OE2 ? B GLU 5 OE2 39 1 Y 1 I GLU 561 ? CG ? B GLU 8 CG 40 1 Y 1 I GLU 561 ? CD ? B GLU 8 CD 41 1 Y 1 I GLU 561 ? OE1 ? B GLU 8 OE1 42 1 Y 1 I GLU 561 ? OE2 ? B GLU 8 OE2 43 1 Y 1 I LEU 564 ? CD1 ? B LEU 11 CD1 44 1 Y 1 I GLN 565 ? CG ? B GLN 12 CG 45 1 Y 1 I GLN 565 ? CD ? B GLN 12 CD 46 1 Y 1 I GLN 565 ? OE1 ? B GLN 12 OE1 47 1 Y 1 I GLN 565 ? NE2 ? B GLN 12 NE2 48 1 Y 1 L GLU 1 C CG ? C GLU 1 CG 49 1 Y 1 L GLU 1 C CD ? C GLU 1 CD 50 1 Y 1 L GLU 1 C OE1 ? C GLU 1 OE1 51 1 Y 1 L GLU 1 C OE2 ? C GLU 1 OE2 52 1 Y 1 L LYS 9 ? CD ? C LYS 12 CD 53 1 Y 1 L LYS 9 ? CE ? C LYS 12 CE 54 1 Y 1 L LYS 9 ? NZ ? C LYS 12 NZ 55 1 Y 1 L LYS 14 A NZ ? C LYS 18 NZ # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 H TRP 147 A A TRP 148 2 1 Y 1 H THR 147 B A THR 149 3 1 Y 1 H ALA 147 C A ALA 150 4 1 Y 1 H ASN 147 D A ASN 151 5 1 Y 1 H VAL 147 E A VAL 152 6 1 Y 1 H GLY 147 F A GLY 153 7 1 Y 1 H LYS 147 G A LYS 154 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 4 'IODIDE ION' IOD 5 GLYCEROL GOL 6 'SODIUM ION' NA 7 'PHOSPHATE ION' PO4 8 'DIMETHYL SULFOXIDE' DMS 9 1,2-ETHANEDIOL EDO 10 piperidine-1-carboximidamide MRZ 11 N-ACETYL-D-GLUCOSAMINE NAG 12 water HOH #