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*** ***elNémo ID: 2605290837511829006Job options:ID = 2605290837511829006 JOBID = USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms data_8b8f3989b45513f # _entry.id 8b8f3989b45513f # loop_ _atom_type.symbol C FE N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE N[C@@H](CC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE N[C@@H](CS)C(O)=O ? "L-PEPTIDE LINKING" Fe 55.845 FE . "FE (III) ION" "[Fe+3]" ? NON-POLYMER "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING" "C34 H32 Fe N4 O4" 616.487 HEM . "PROTOPORPHYRIN IX CONTAINING FE" CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C HEME NON-POLYMER "C6 H10 N3 O2" 156.162 HIS y HISTIDINE N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE N[C@@H](CO)C(O)=O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@@H](O)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE N[C@@H](Cc1ccc(O)cc1)C(O)=O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # loop_ _entity.id _entity.pdbx_description _entity.type 1 . polymer 2 . non-polymer 3 . non-polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n VAL 2 1 n ASN 3 1 n PRO 4 1 n ALA 5 1 n THR 6 1 n PRO 7 1 n THR 8 1 n HIS 9 1 n LEU 10 1 n PRO 11 1 n SER 12 1 n ALA 13 1 n CYS 14 1 n ALA 15 1 n ARG 16 1 n ALA 17 1 n CYS 18 1 n VAL 19 1 n ALA 20 1 n THR 21 1 n LEU 22 1 n ARG 23 1 n TRP 24 1 n PRO 25 1 n VAL 26 1 n ARG 27 1 n GLN 28 1 n ILE 29 1 n GLU 30 1 n HIS 31 1 n THR 32 1 n GLU 33 1 n ARG 34 1 n SER 35 1 n PRO 36 1 n SER 37 1 n PRO 38 1 n PRO 39 1 n MET 40 1 n VAL 41 1 n ALA 42 1 n MET 43 1 n PRO 44 1 n ALA 45 1 n VAL 46 1 n PRO 47 1 n ALA 48 1 n PRO 49 1 n PRO 50 1 n HIS 51 1 n ARG 52 1 n LEU 53 1 n LEU 54 1 n ALA 55 1 n LEU 56 1 n CYS 57 1 n GLY 58 1 n GLU 59 1 n VAL 60 1 n GLY 61 1 n LEU 62 1 n ARG 63 1 n ARG 64 1 n LEU 65 1 n VAL 66 1 n HIS 67 1 n ARG 68 1 n HIS 69 1 n MET 70 1 n THR 71 1 n ARG 72 1 n LEU 73 1 n ARG 74 1 n LEU 75 1 n THR 76 1 n PRO 77 1 n LEU 78 1 n LEU 79 1 n ALA 80 1 n SER 81 1 n HIS 82 1 n ASP 83 1 n GLY 84 1 n PRO 85 1 n GLU 86 1 n CYS 87 1 n PHE 88 1 n ALA 89 1 n CYS 90 1 n VAL 91 1 n THR 92 1 n GLU 93 1 n ARG 94 1 n VAL 95 1 n GLY 96 1 n ASP 97 1 n PHE 98 1 n VAL 99 1 n ILE 100 1 n GLU 101 1 n SER 102 1 n CYS 103 1 n GLY 104 1 n GLY 105 1 n PRO 106 1 n LEU 107 1 n TYR 108 1 n TRP 109 1 n SER 110 1 n GLN 111 1 n HIS 112 1 n HIS 113 1 n SER 114 1 n PRO 115 1 n HIS 116 1 n ARG 117 1 n GLY 118 1 n VAL 119 1 n SER 120 1 n ALA 121 1 n GLY 122 1 n ALA 123 1 n GLY 124 1 n TRP 125 1 n PRO 126 1 n VAL 127 1 n LEU 128 1 n LEU 129 1 n ASP 130 1 n GLU 131 1 n ILE 132 1 n GLY 133 1 n ARG 134 1 n GLU 135 1 n ILE 136 1 n TRP 137 1 n LEU 138 1 n VAL 139 1 n GLN 140 1 n LEU 141 1 n TRP 142 1 n HIS 143 1 n SER 144 1 n LEU 145 1 n ASP 146 1 n ASP 147 1 n VAL 148 1 n GLY 149 1 n LEU 150 1 n PRO 151 1 n ASP 152 1 n ALA 153 1 n LEU 154 1 n ARG 155 1 n ALA 156 1 n ASP 157 1 n VAL 158 1 n TRP 159 1 n ARG 160 1 n TRP 161 1 n ALA 162 1 n GLU 163 1 n PRO 164 1 n LEU 165 1 n SER 166 1 n LEU 167 1 n HIS 168 1 n LEU 169 1 n LEU 170 1 n VAL 171 1 n PRO 172 1 n ARG 173 1 n ALA 174 1 n ARG 175 1 n GLN 176 1 n THR 177 1 n GLY 178 1 n VAL 179 1 n ARG 180 1 n ARG 181 1 n TYR 182 1 n PRO 183 1 n PHE 184 1 n GLU 185 1 n ARG 186 1 n VAL 187 1 n ARG 188 1 n SER 189 1 n TRP 190 1 n PHE 191 1 n THR 192 1 n THR 193 1 n PRO 194 1 n SER 195 1 n ALA 196 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # loop_ _ma_data_ref_db.id _ma_data_ref_db.location_url _ma_data_ref_db.name _ma_data_ref_db.release_date _ma_data_ref_db.version 1 . mgnify . 2022_05 2 . small_bfd . default 3 . uniprot_cluster_annot . 2021_04 4 . uniref90 . 2022_05 # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (33c27064-dd3b-4bf4-8ed4-61a129e4a567 @ 2026-05-28 13:55:09)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 75.76 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # loop_ _ma_target_entity.data_id _ma_target_entity.entity_id _ma_target_entity.origin 1 1 . 1 2 . 1 3 . # loop_ _ma_target_entity_instance.asym_id _ma_target_entity_instance.details _ma_target_entity_instance.entity_id A . 1 B . 2 C . 3 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;NON-COMMERCIAL USE ONLY, BY USING THIS FILE YOU AGREE TO THE TERMS OF USE FOUND AT alphafoldserver.com/output-terms. ; 1 license ? ;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD PARTY. ; 2 disclaimer ? # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.pdb_ins_code _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.pdb_strand_id B 1 2 HEM . 1 B C 1 3 FE . 1 C # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n VAL . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n HIS . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n ARG . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n CYS . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n THR . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n ARG . 23 A 23 A 24 1 n TRP . 24 A 24 A 25 1 n PRO . 25 A 25 A 26 1 n VAL . 26 A 26 A 27 1 n ARG . 27 A 27 A 28 1 n GLN . 28 A 28 A 29 1 n ILE . 29 A 29 A 30 1 n GLU . 30 A 30 A 31 1 n HIS . 31 A 31 A 32 1 n THR . 32 A 32 A 33 1 n GLU . 33 A 33 A 34 1 n ARG . 34 A 34 A 35 1 n SER . 35 A 35 A 36 1 n PRO . 36 A 36 A 37 1 n SER . 37 A 37 A 38 1 n PRO . 38 A 38 A 39 1 n PRO . 39 A 39 A 40 1 n MET . 40 A 40 A 41 1 n VAL . 41 A 41 A 42 1 n ALA . 42 A 42 A 43 1 n MET . 43 A 43 A 44 1 n PRO . 44 A 44 A 45 1 n ALA . 45 A 45 A 46 1 n VAL . 46 A 46 A 47 1 n PRO . 47 A 47 A 48 1 n ALA . 48 A 48 A 49 1 n PRO . 49 A 49 A 50 1 n PRO . 50 A 50 A 51 1 n HIS . 51 A 51 A 52 1 n ARG . 52 A 52 A 53 1 n LEU . 53 A 53 A 54 1 n LEU . 54 A 54 A 55 1 n ALA . 55 A 55 A 56 1 n LEU . 56 A 56 A 57 1 n CYS . 57 A 57 A 58 1 n GLY . 58 A 58 A 59 1 n GLU . 59 A 59 A 60 1 n VAL . 60 A 60 A 61 1 n GLY . 61 A 61 A 62 1 n LEU . 62 A 62 A 63 1 n ARG . 63 A 63 A 64 1 n ARG . 64 A 64 A 65 1 n LEU . 65 A 65 A 66 1 n VAL . 66 A 66 A 67 1 n HIS . 67 A 67 A 68 1 n ARG . 68 A 68 A 69 1 n HIS . 69 A 69 A 70 1 n MET . 70 A 70 A 71 1 n THR . 71 A 71 A 72 1 n ARG . 72 A 72 A 73 1 n LEU . 73 A 73 A 74 1 n ARG . 74 A 74 A 75 1 n LEU . 75 A 75 A 76 1 n THR . 76 A 76 A 77 1 n PRO . 77 A 77 A 78 1 n LEU . 78 A 78 A 79 1 n LEU . 79 A 79 A 80 1 n ALA . 80 A 80 A 81 1 n SER . 81 A 81 A 82 1 n HIS . 82 A 82 A 83 1 n ASP . 83 A 83 A 84 1 n GLY . 84 A 84 A 85 1 n PRO . 85 A 85 A 86 1 n GLU . 86 A 86 A 87 1 n CYS . 87 A 87 A 88 1 n PHE . 88 A 88 A 89 1 n ALA . 89 A 89 A 90 1 n CYS . 90 A 90 A 91 1 n VAL . 91 A 91 A 92 1 n THR . 92 A 92 A 93 1 n GLU . 93 A 93 A 94 1 n ARG . 94 A 94 A 95 1 n VAL . 95 A 95 A 96 1 n GLY . 96 A 96 A 97 1 n ASP . 97 A 97 A 98 1 n PHE . 98 A 98 A 99 1 n VAL . 99 A 99 A 100 1 n ILE . 100 A 100 A 101 1 n GLU . 101 A 101 A 102 1 n SER . 102 A 102 A 103 1 n CYS . 103 A 103 A 104 1 n GLY . 104 A 104 A 105 1 n GLY . 105 A 105 A 106 1 n PRO . 106 A 106 A 107 1 n LEU . 107 A 107 A 108 1 n TYR . 108 A 108 A 109 1 n TRP . 109 A 109 A 110 1 n SER . 110 A 110 A 111 1 n GLN . 111 A 111 A 112 1 n HIS . 112 A 112 A 113 1 n HIS . 113 A 113 A 114 1 n SER . 114 A 114 A 115 1 n PRO . 115 A 115 A 116 1 n HIS . 116 A 116 A 117 1 n ARG . 117 A 117 A 118 1 n GLY . 118 A 118 A 119 1 n VAL . 119 A 119 A 120 1 n SER . 120 A 120 A 121 1 n ALA . 121 A 121 A 122 1 n GLY . 122 A 122 A 123 1 n ALA . 123 A 123 A 124 1 n GLY . 124 A 124 A 125 1 n TRP . 125 A 125 A 126 1 n PRO . 126 A 126 A 127 1 n VAL . 127 A 127 A 128 1 n LEU . 128 A 128 A 129 1 n LEU . 129 A 129 A 130 1 n ASP . 130 A 130 A 131 1 n GLU . 131 A 131 A 132 1 n ILE . 132 A 132 A 133 1 n GLY . 133 A 133 A 134 1 n ARG . 134 A 134 A 135 1 n GLU . 135 A 135 A 136 1 n ILE . 136 A 136 A 137 1 n TRP . 137 A 137 A 138 1 n LEU . 138 A 138 A 139 1 n VAL . 139 A 139 A 140 1 n GLN . 140 A 140 A 141 1 n LEU . 141 A 141 A 142 1 n TRP . 142 A 142 A 143 1 n HIS . 143 A 143 A 144 1 n SER . 144 A 144 A 145 1 n LEU . 145 A 145 A 146 1 n ASP . 146 A 146 A 147 1 n ASP . 147 A 147 A 148 1 n VAL . 148 A 148 A 149 1 n GLY . 149 A 149 A 150 1 n LEU . 150 A 150 A 151 1 n PRO . 151 A 151 A 152 1 n ASP . 152 A 152 A 153 1 n ALA . 153 A 153 A 154 1 n LEU . 154 A 154 A 155 1 n ARG . 155 A 155 A 156 1 n ALA . 156 A 156 A 157 1 n ASP . 157 A 157 A 158 1 n VAL . 158 A 158 A 159 1 n TRP . 159 A 159 A 160 1 n ARG . 160 A 160 A 161 1 n TRP . 161 A 161 A 162 1 n ALA . 162 A 162 A 163 1 n GLU . 163 A 163 A 164 1 n PRO . 164 A 164 A 165 1 n LEU . 165 A 165 A 166 1 n SER . 166 A 166 A 167 1 n LEU . 167 A 167 A 168 1 n HIS . 168 A 168 A 169 1 n LEU . 169 A 169 A 170 1 n LEU . 170 A 170 A 171 1 n VAL . 171 A 171 A 172 1 n PRO . 172 A 172 A 173 1 n ARG . 173 A 173 A 174 1 n ALA . 174 A 174 A 175 1 n ARG . 175 A 175 A 176 1 n GLN . 176 A 176 A 177 1 n THR . 177 A 177 A 178 1 n GLY . 178 A 178 A 179 1 n VAL . 179 A 179 A 180 1 n ARG . 180 A 180 A 181 1 n ARG . 181 A 181 A 182 1 n TYR . 182 A 182 A 183 1 n PRO . 183 A 183 A 184 1 n PHE . 184 A 184 A 185 1 n GLU . 185 A 185 A 186 1 n ARG . 186 A 186 A 187 1 n VAL . 187 A 187 A 188 1 n ARG . 188 A 188 A 189 1 n SER . 189 A 189 A 190 1 n TRP . 190 A 190 A 191 1 n PHE . 191 A 191 A 192 1 n THR . 192 A 192 A 193 1 n THR . 193 A 193 A 194 1 n PRO . 194 A 194 A 195 1 n SER . 195 A 195 A 196 1 n ALA . 196 A 196 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (33c27064-dd3b-4bf4-8ed4-61a129e4a567 @ 2026-05-28 13:55:09)" # loop_ _struct_asym.entity_id _struct_asym.id 1 A 2 B 3 C # 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.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? 31.629 -29.483 -5.466 1.00 35.60 1 A 1 ATOM 2 C CA . MET A 1 1 ? 30.964 -28.339 -6.122 1.00 48.61 1 A 1 ATOM 3 C C . MET A 1 1 ? 29.938 -27.810 -5.147 1.00 54.96 1 A 1 ATOM 4 O O . MET A 1 1 ? 29.045 -28.559 -4.785 1.00 53.64 1 A 1 ATOM 5 C CB . MET A 1 1 ? 30.292 -28.753 -7.434 1.00 48.14 1 A 1 ATOM 6 C CG . MET A 1 1 ? 31.315 -29.102 -8.517 1.00 43.01 1 A 1 ATOM 7 S SD . MET A 1 1 ? 30.538 -29.704 -10.034 1.00 37.72 1 A 1 ATOM 8 C CE . MET A 1 1 ? 32.005 -30.230 -10.967 1.00 32.57 1 A 1 ATOM 9 N N . VAL A 1 2 ? 30.146 -26.608 -4.620 1.00 41.20 2 A 1 ATOM 10 C CA . VAL A 1 2 ? 29.192 -26.006 -3.690 1.00 45.55 2 A 1 ATOM 11 C C . VAL A 1 2 ? 27.967 -25.663 -4.523 1.00 47.07 2 A 1 ATOM 12 O O . VAL A 1 2 ? 28.071 -24.885 -5.466 1.00 43.86 2 A 1 ATOM 13 C CB . VAL A 1 2 ? 29.774 -24.771 -2.985 1.00 43.07 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? 28.801 -24.215 -1.960 1.00 37.79 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? 31.089 -25.121 -2.264 1.00 41.36 2 A 1 ATOM 16 N N . ASN A 1 3 ? 26.848 -26.323 -4.237 1.00 43.24 3 A 1 ATOM 17 C CA . ASN A 1 3 ? 25.612 -26.032 -4.940 1.00 49.80 3 A 1 ATOM 18 C C . ASN A 1 3 ? 25.300 -24.552 -4.668 1.00 49.74 3 A 1 ATOM 19 O O . ASN A 1 3 ? 25.263 -24.186 -3.491 1.00 47.12 3 A 1 ATOM 20 C CB . ASN A 1 3 ? 24.513 -26.998 -4.454 1.00 47.96 3 A 1 ATOM 21 C CG . ASN A 1 3 ? 23.481 -27.317 -5.520 1.00 40.35 3 A 1 ATOM 22 O OD1 . ASN A 1 3 ? 23.532 -26.865 -6.642 1.00 39.09 3 A 1 ATOM 23 N ND2 . ASN A 1 3 ? 22.513 -28.148 -5.197 1.00 40.76 3 A 1 ATOM 24 N N . PRO A 1 4 ? 25.188 -23.679 -5.678 1.00 39.17 4 A 1 ATOM 25 C CA . PRO A 1 4 ? 24.982 -22.266 -5.428 1.00 44.51 4 A 1 ATOM 26 C C . PRO A 1 4 ? 23.712 -22.140 -4.603 1.00 48.11 4 A 1 ATOM 27 O O . PRO A 1 4 ? 22.659 -22.642 -5.004 1.00 45.38 4 A 1 ATOM 28 C CB . PRO A 1 4 ? 24.891 -21.601 -6.806 1.00 42.20 4 A 1 ATOM 29 C CG . PRO A 1 4 ? 24.470 -22.742 -7.729 1.00 42.51 4 A 1 ATOM 30 C CD . PRO A 1 4 ? 25.100 -23.977 -7.094 1.00 49.92 4 A 1 ATOM 31 N N . ALA A 1 5 ? 23.841 -21.558 -3.405 1.00 41.47 5 A 1 ATOM 32 C CA . ALA A 1 5 ? 22.702 -21.369 -2.533 1.00 45.37 5 A 1 ATOM 33 C C . ALA A 1 5 ? 21.639 -20.634 -3.346 1.00 47.55 5 A 1 ATOM 34 O O . ALA A 1 5 ? 21.891 -19.544 -3.859 1.00 45.58 5 A 1 ATOM 35 C CB . ALA A 1 5 ? 23.133 -20.587 -1.290 1.00 44.35 5 A 1 ATOM 36 N N . THR A 1 6 ? 20.488 -21.271 -3.514 1.00 41.11 6 A 1 ATOM 37 C CA . THR A 1 6 ? 19.343 -20.629 -4.151 1.00 44.18 6 A 1 ATOM 38 C C . THR A 1 6 ? 19.165 -19.297 -3.444 1.00 45.11 6 A 1 ATOM 39 O O . THR A 1 6 ? 19.076 -19.299 -2.213 1.00 42.42 6 A 1 ATOM 40 C CB . THR A 1 6 ? 18.050 -21.460 -4.008 1.00 42.35 6 A 1 ATOM 41 O OG1 . THR A 1 6 ? 18.274 -22.682 -3.345 1.00 35.53 6 A 1 ATOM 42 C CG2 . THR A 1 6 ? 17.477 -21.803 -5.380 1.00 36.03 6 A 1 ATOM 43 N N . PRO A 1 7 ? 19.215 -18.162 -4.158 1.00 33.44 7 A 1 ATOM 44 C CA . PRO A 1 7 ? 19.122 -16.870 -3.505 1.00 35.88 7 A 1 ATOM 45 C C . PRO A 1 7 ? 17.870 -16.900 -2.640 1.00 39.25 7 A 1 ATOM 46 O O . PRO A 1 7 ? 16.789 -17.233 -3.129 1.00 39.15 7 A 1 ATOM 47 C CB . PRO A 1 7 ? 19.077 -15.826 -4.626 1.00 35.14 7 A 1 ATOM 48 C CG . PRO A 1 7 ? 18.651 -16.626 -5.855 1.00 33.98 7 A 1 ATOM 49 C CD . PRO A 1 7 ? 19.215 -18.014 -5.595 1.00 37.79 7 A 1 ATOM 50 N N . THR A 1 8 ? 18.036 -16.661 -1.340 1.00 39.92 8 A 1 ATOM 51 C CA . THR A 1 8 ? 16.915 -16.610 -0.414 1.00 41.08 8 A 1 ATOM 52 C C . THR A 1 8 ? 16.009 -15.498 -0.918 1.00 42.46 8 A 1 ATOM 53 O O . THR A 1 8 ? 16.298 -14.319 -0.733 1.00 39.91 8 A 1 ATOM 54 C CB . THR A 1 8 ? 17.382 -16.336 1.022 1.00 39.44 8 A 1 ATOM 55 O OG1 . THR A 1 8 ? 18.456 -15.423 1.037 1.00 35.02 8 A 1 ATOM 56 C CG2 . THR A 1 8 ? 17.857 -17.614 1.715 1.00 34.49 8 A 1 ATOM 57 N N . HIS A 1 9 ? 14.970 -15.900 -1.650 1.00 44.67 9 A 1 ATOM 58 C CA . HIS A 1 9 ? 14.011 -14.967 -2.197 1.00 45.74 9 A 1 ATOM 59 C C . HIS A 1 9 ? 13.494 -14.144 -1.025 1.00 46.51 9 A 1 ATOM 60 O O . HIS A 1 9 ? 12.870 -14.684 -0.115 1.00 45.24 9 A 1 ATOM 61 C CB . HIS A 1 9 ? 12.886 -15.707 -2.925 1.00 45.04 9 A 1 ATOM 62 C CG . HIS A 1 9 ? 13.272 -16.158 -4.301 1.00 39.56 9 A 1 ATOM 63 N ND1 . HIS A 1 9 ? 13.356 -15.361 -5.417 1.00 35.82 9 A 1 ATOM 64 C CD2 . HIS A 1 9 ? 13.599 -17.428 -4.702 1.00 36.16 9 A 1 ATOM 65 C CE1 . HIS A 1 9 ? 13.721 -16.131 -6.459 1.00 34.74 9 A 1 ATOM 66 N NE2 . HIS A 1 9 ? 13.873 -17.388 -6.058 1.00 36.41 9 A 1 ATOM 67 N N . LEU A 1 10 ? 13.815 -12.849 -1.023 1.00 45.97 10 A 1 ATOM 68 C CA . LEU A 1 10 ? 13.270 -11.948 -0.023 1.00 47.02 10 A 1 ATOM 69 C C . LEU A 1 10 ? 11.762 -12.171 -0.013 1.00 48.67 10 A 1 ATOM 70 O O . LEU A 1 10 ? 11.141 -12.030 -1.072 1.00 47.29 10 A 1 ATOM 71 C CB . LEU A 1 10 ? 13.609 -10.494 -0.378 1.00 45.27 10 A 1 ATOM 72 C CG . LEU A 1 10 ? 14.995 -10.050 0.119 1.00 41.54 10 A 1 ATOM 73 C CD1 . LEU A 1 10 ? 15.419 -8.781 -0.607 1.00 38.17 10 A 1 ATOM 74 C CD2 . LEU A 1 10 ? 14.985 -9.751 1.619 1.00 39.96 10 A 1 ATOM 75 N N . PRO A 1 11 ? 11.192 -12.584 1.132 1.00 48.18 11 A 1 ATOM 76 C CA . PRO A 1 11 ? 9.782 -12.899 1.176 1.00 49.72 11 A 1 ATOM 77 C C . PRO A 1 11 ? 9.019 -11.690 0.657 1.00 54.24 11 A 1 ATOM 78 O O . PRO A 1 11 ? 9.299 -10.561 1.070 1.00 53.57 11 A 1 ATOM 79 C CB . PRO A 1 11 ? 9.472 -13.254 2.638 1.00 47.56 11 A 1 ATOM 80 C CG . PRO A 1 11 ? 10.638 -12.666 3.423 1.00 46.62 11 A 1 ATOM 81 C CD . PRO A 1 11 ? 11.796 -12.706 2.440 1.00 50.27 11 A 1 ATOM 82 N N . SER A 1 12 ? 8.126 -11.893 -0.304 1.00 57.29 12 A 1 ATOM 83 C CA . SER A 1 12 ? 7.349 -10.796 -0.849 1.00 60.16 12 A 1 ATOM 84 C C . SER A 1 12 ? 6.547 -10.118 0.255 1.00 62.32 12 A 1 ATOM 85 O O . SER A 1 12 ? 6.296 -10.708 1.308 1.00 59.66 12 A 1 ATOM 86 C CB . SER A 1 12 ? 6.438 -11.274 -1.981 1.00 57.65 12 A 1 ATOM 87 O OG . SER A 1 12 ? 5.491 -12.202 -1.497 1.00 52.14 12 A 1 ATOM 88 N N . ALA A 1 13 ? 6.123 -8.896 0.033 1.00 62.25 13 A 1 ATOM 89 C CA . ALA A 1 13 ? 5.223 -8.249 0.988 1.00 62.84 13 A 1 ATOM 90 C C . ALA A 1 13 ? 3.977 -9.091 1.265 1.00 64.62 13 A 1 ATOM 91 O O . ALA A 1 13 ? 3.461 -9.079 2.376 1.00 63.24 13 A 1 ATOM 92 C CB . ALA A 1 13 ? 4.838 -6.896 0.433 1.00 61.33 13 A 1 ATOM 93 N N . CYS A 1 14 ? 3.547 -9.885 0.285 1.00 67.45 14 A 1 ATOM 94 C CA . CYS A 1 14 ? 2.464 -10.844 0.445 1.00 69.01 14 A 1 ATOM 95 C C . CYS A 1 14 ? 2.799 -11.925 1.474 1.00 68.79 14 A 1 ATOM 96 O O . CYS A 1 14 ? 1.967 -12.221 2.322 1.00 66.32 14 A 1 ATOM 97 C CB . CYS A 1 14 ? 2.159 -11.496 -0.911 1.00 67.85 14 A 1 ATOM 98 S SG . CYS A 1 14 ? 1.912 -10.245 -2.194 1.00 64.88 14 A 1 ATOM 99 N N . ALA A 1 15 ? 4.011 -12.479 1.425 1.00 64.87 15 A 1 ATOM 100 C CA . ALA A 1 15 ? 4.456 -13.490 2.382 1.00 64.26 15 A 1 ATOM 101 C C . ALA A 1 15 ? 4.710 -12.910 3.787 1.00 64.31 15 A 1 ATOM 102 O O . ALA A 1 15 ? 4.644 -13.637 4.779 1.00 62.58 15 A 1 ATOM 103 C CB . ALA A 1 15 ? 5.716 -14.160 1.826 1.00 62.77 15 A 1 ATOM 104 N N . ARG A 1 16 ? 4.979 -11.601 3.901 1.00 68.77 16 A 1 ATOM 105 C CA . ARG A 1 16 ? 5.123 -10.893 5.176 1.00 70.20 16 A 1 ATOM 106 C C . ARG A 1 16 ? 3.805 -10.364 5.734 1.00 71.15 16 A 1 ATOM 107 O O . ARG A 1 16 ? 3.754 -9.982 6.898 1.00 69.72 16 A 1 ATOM 108 C CB . ARG A 1 16 ? 6.124 -9.744 5.022 1.00 68.65 16 A 1 ATOM 109 C CG . ARG A 1 16 ? 7.566 -10.247 4.832 1.00 63.34 16 A 1 ATOM 110 C CD . ARG A 1 16 ? 8.543 -9.069 4.806 1.00 61.37 16 A 1 ATOM 111 N NE . ARG A 1 16 ? 8.395 -8.277 3.573 1.00 57.32 16 A 1 ATOM 112 C CZ . ARG A 1 16 ? 9.150 -8.325 2.498 1.00 51.65 16 A 1 ATOM 113 N NH1 . ARG A 1 16 ? 10.217 -9.067 2.438 1.00 48.85 16 A 1 ATOM 114 N NH2 . ARG A 1 16 ? 8.852 -7.622 1.448 1.00 47.43 16 A 1 ATOM 115 N N . ALA A 1 17 ? 2.771 -10.288 4.913 1.00 67.81 17 A 1 ATOM 116 C CA . ALA A 1 17 ? 1.463 -9.852 5.369 1.00 67.65 17 A 1 ATOM 117 C C . ALA A 1 17 ? 0.852 -10.908 6.291 1.00 68.33 17 A 1 ATOM 118 O O . ALA A 1 17 ? 1.072 -12.105 6.133 1.00 66.11 17 A 1 ATOM 119 C CB . ALA A 1 17 ? 0.598 -9.543 4.150 1.00 66.56 17 A 1 ATOM 120 N N . CYS A 1 18 ? 0.066 -10.462 7.266 1.00 74.38 18 A 1 ATOM 121 C CA . CYS A 1 18 ? -0.576 -11.366 8.211 1.00 74.57 18 A 1 ATOM 122 C C . CYS A 1 18 ? -1.508 -12.336 7.471 1.00 74.40 18 A 1 ATOM 123 O O . CYS A 1 18 ? -2.564 -11.940 6.981 1.00 72.09 18 A 1 ATOM 124 C CB . CYS A 1 18 ? -1.311 -10.541 9.272 1.00 71.20 18 A 1 ATOM 125 S SG . CYS A 1 18 ? -2.093 -11.650 10.490 1.00 62.67 18 A 1 ATOM 126 N N . VAL A 1 19 ? -1.133 -13.613 7.424 1.00 69.06 19 A 1 ATOM 127 C CA . VAL A 1 19 ? -1.864 -14.675 6.707 1.00 69.56 19 A 1 ATOM 128 C C . VAL A 1 19 ? -3.334 -14.733 7.137 1.00 69.60 19 A 1 ATOM 129 O O . VAL A 1 19 ? -4.208 -14.872 6.291 1.00 68.36 19 A 1 ATOM 130 C CB . VAL A 1 19 ? -1.179 -16.037 6.923 1.00 68.89 19 A 1 ATOM 131 C CG1 . VAL A 1 19 ? -1.920 -17.171 6.207 1.00 62.04 19 A 1 ATOM 132 C CG2 . VAL A 1 19 ? 0.266 -16.015 6.408 1.00 62.88 19 A 1 ATOM 133 N N . ALA A 1 20 ? -3.622 -14.516 8.415 1.00 70.53 20 A 1 ATOM 134 C CA . ALA A 1 20 ? -4.974 -14.507 8.948 1.00 70.65 20 A 1 ATOM 135 C C . ALA A 1 20 ? -5.869 -13.383 8.389 1.00 71.00 20 A 1 ATOM 136 O O . ALA A 1 20 ? -7.093 -13.437 8.502 1.00 68.45 20 A 1 ATOM 137 C CB . ALA A 1 20 ? -4.874 -14.403 10.475 1.00 70.11 20 A 1 ATOM 138 N N . THR A 1 21 ? -5.275 -12.352 7.789 1.00 73.01 21 A 1 ATOM 139 C CA . THR A 1 21 ? -6.012 -11.222 7.216 1.00 72.22 21 A 1 ATOM 140 C C . THR A 1 21 ? -6.005 -11.220 5.693 1.00 72.78 21 A 1 ATOM 141 O O . THR A 1 21 ? -6.648 -10.360 5.092 1.00 69.32 21 A 1 ATOM 142 C CB . THR A 1 21 ? -5.508 -9.878 7.749 1.00 69.83 21 A 1 ATOM 143 O OG1 . THR A 1 21 ? -4.197 -9.596 7.337 1.00 64.64 21 A 1 ATOM 144 C CG2 . THR A 1 21 ? -5.561 -9.808 9.281 1.00 63.92 21 A 1 ATOM 145 N N . LEU A 1 22 ? -5.293 -12.142 5.055 1.00 72.08 22 A 1 ATOM 146 C CA . LEU A 1 22 ? -5.185 -12.195 3.607 1.00 73.95 22 A 1 ATOM 147 C C . LEU A 1 22 ? -6.250 -13.095 2.995 1.00 76.38 22 A 1 ATOM 148 O O . LEU A 1 22 ? -6.500 -14.202 3.448 1.00 74.92 22 A 1 ATOM 149 C CB . LEU A 1 22 ? -3.788 -12.677 3.190 1.00 71.56 22 A 1 ATOM 150 C CG . LEU A 1 22 ? -2.659 -11.671 3.464 1.00 67.78 22 A 1 ATOM 151 C CD1 . LEU A 1 22 ? -1.339 -12.320 3.049 1.00 64.70 22 A 1 ATOM 152 C CD2 . LEU A 1 22 ? -2.815 -10.366 2.690 1.00 67.23 22 A 1 ATOM 153 N N . ARG A 1 23 ? -6.823 -12.619 1.890 1.00 77.10 23 A 1 ATOM 154 C CA . ARG A 1 23 ? -7.546 -13.473 0.953 1.00 79.12 23 A 1 ATOM 155 C C . ARG A 1 23 ? -6.550 -13.898 -0.117 1.00 79.70 23 A 1 ATOM 156 O O . ARG A 1 23 ? -6.007 -13.052 -0.811 1.00 79.03 23 A 1 ATOM 157 C CB . ARG A 1 23 ? -8.754 -12.703 0.390 1.00 79.10 23 A 1 ATOM 158 C CG . ARG A 1 23 ? -9.766 -13.653 -0.244 1.00 72.19 23 A 1 ATOM 159 C CD . ARG A 1 23 ? -11.001 -12.859 -0.681 1.00 69.61 23 A 1 ATOM 160 N NE . ARG A 1 23 ? -12.109 -13.747 -1.055 1.00 63.03 23 A 1 ATOM 161 C CZ . ARG A 1 23 ? -13.328 -13.365 -1.359 1.00 55.20 23 A 1 ATOM 162 N NH1 . ARG A 1 23 ? -13.655 -12.100 -1.409 1.00 51.67 23 A 1 ATOM 163 N NH2 . ARG A 1 23 ? -14.256 -14.249 -1.619 1.00 50.43 23 A 1 ATOM 164 N N . TRP A 1 24 ? -6.252 -15.175 -0.191 1.00 75.28 24 A 1 ATOM 165 C CA . TRP A 1 24 ? -5.201 -15.664 -1.079 1.00 75.32 24 A 1 ATOM 166 C C . TRP A 1 24 ? -5.615 -15.547 -2.547 1.00 76.00 24 A 1 ATOM 167 O O . TRP A 1 24 ? -6.792 -15.754 -2.864 1.00 74.15 24 A 1 ATOM 168 C CB . TRP A 1 24 ? -4.807 -17.088 -0.695 1.00 73.55 24 A 1 ATOM 169 C CG . TRP A 1 24 ? -4.057 -17.139 0.605 1.00 70.76 24 A 1 ATOM 170 C CD1 . TRP A 1 24 ? -4.606 -17.339 1.825 1.00 63.60 24 A 1 ATOM 171 C CD2 . TRP A 1 24 ? -2.632 -16.933 0.821 1.00 69.41 24 A 1 ATOM 172 N NE1 . TRP A 1 24 ? -3.618 -17.266 2.793 1.00 62.18 24 A 1 ATOM 173 C CE2 . TRP A 1 24 ? -2.392 -17.016 2.210 1.00 65.41 24 A 1 ATOM 174 C CE3 . TRP A 1 24 ? -1.537 -16.680 -0.032 1.00 62.53 24 A 1 ATOM 175 C CZ2 . TRP A 1 24 ? -1.099 -16.850 2.762 1.00 61.94 24 A 1 ATOM 176 C CZ3 . TRP A 1 24 ? -0.253 -16.520 0.513 1.00 58.41 24 A 1 ATOM 177 C CH2 . TRP A 1 24 ? -0.034 -16.592 1.887 1.00 60.24 24 A 1 ATOM 178 N N . PRO A 1 25 ? -4.662 -15.219 -3.449 1.00 77.32 25 A 1 ATOM 179 C CA . PRO A 1 25 ? -4.916 -15.239 -4.879 1.00 77.21 25 A 1 ATOM 180 C C . PRO A 1 25 ? -5.373 -16.629 -5.324 1.00 77.72 25 A 1 ATOM 181 O O . PRO A 1 25 ? -4.864 -17.642 -4.843 1.00 75.91 25 A 1 ATOM 182 C CB . PRO A 1 25 ? -3.600 -14.851 -5.552 1.00 73.69 25 A 1 ATOM 183 C CG . PRO A 1 25 ? -2.804 -14.154 -4.468 1.00 72.41 25 A 1 ATOM 184 C CD . PRO A 1 25 ? -3.284 -14.829 -3.189 1.00 77.38 25 A 1 ATOM 185 N N . VAL A 1 26 ? -6.294 -16.667 -6.278 1.00 73.19 26 A 1 ATOM 186 C CA . VAL A 1 26 ? -6.756 -17.921 -6.882 1.00 71.26 26 A 1 ATOM 187 C C . VAL A 1 26 ? -5.649 -18.550 -7.722 1.00 69.12 26 A 1 ATOM 188 O O . VAL A 1 26 ? -5.480 -19.767 -7.725 1.00 65.76 26 A 1 ATOM 189 C CB . VAL A 1 26 ? -8.006 -17.680 -7.739 1.00 71.58 26 A 1 ATOM 190 C CG1 . VAL A 1 26 ? -8.517 -18.977 -8.361 1.00 64.20 26 A 1 ATOM 191 C CG2 . VAL A 1 26 ? -9.146 -17.073 -6.917 1.00 67.47 26 A 1 ATOM 192 N N . ARG A 1 27 ? -4.876 -17.716 -8.413 1.00 64.54 27 A 1 ATOM 193 C CA . ARG A 1 27 ? -3.666 -18.136 -9.105 1.00 62.18 27 A 1 ATOM 194 C C . ARG A 1 27 ? -2.477 -17.892 -8.188 1.00 60.76 27 A 1 ATOM 195 O O . ARG A 1 27 ? -2.265 -16.768 -7.739 1.00 58.81 27 A 1 ATOM 196 C CB . ARG A 1 27 ? -3.501 -17.399 -10.444 1.00 59.60 27 A 1 ATOM 197 C CG . ARG A 1 27 ? -4.544 -17.848 -11.469 1.00 53.76 27 A 1 ATOM 198 C CD . ARG A 1 27 ? -4.272 -17.161 -12.811 1.00 50.27 27 A 1 ATOM 199 N NE . ARG A 1 27 ? -5.253 -17.544 -13.838 1.00 45.91 27 A 1 ATOM 200 C CZ . ARG A 1 27 ? -5.231 -17.135 -15.107 1.00 40.49 27 A 1 ATOM 201 N NH1 . ARG A 1 27 ? -4.312 -16.351 -15.563 1.00 38.50 27 A 1 ATOM 202 N NH2 . ARG A 1 27 ? -6.155 -17.514 -15.928 1.00 36.51 27 A 1 ATOM 203 N N . GLN A 1 28 ? -1.690 -18.921 -7.932 1.00 55.91 28 A 1 ATOM 204 C CA . GLN A 1 28 ? -0.363 -18.731 -7.385 1.00 56.35 28 A 1 ATOM 205 C C . GLN A 1 28 ? 0.481 -18.050 -8.455 1.00 55.89 28 A 1 ATOM 206 O O . GLN A 1 28 ? 0.727 -18.621 -9.512 1.00 53.51 28 A 1 ATOM 207 C CB . GLN A 1 28 ? 0.256 -20.054 -6.936 1.00 53.74 28 A 1 ATOM 208 C CG . GLN A 1 28 ? -0.414 -20.572 -5.659 1.00 48.36 28 A 1 ATOM 209 C CD . GLN A 1 28 ? 0.265 -21.827 -5.103 1.00 43.58 28 A 1 ATOM 210 O OE1 . GLN A 1 28 ? 1.138 -22.420 -5.704 1.00 42.79 28 A 1 ATOM 211 N NE2 . GLN A 1 28 ? -0.108 -22.274 -3.928 1.00 40.08 28 A 1 ATOM 212 N N . ILE A 1 29 ? 0.867 -16.814 -8.203 1.00 56.93 29 A 1 ATOM 213 C CA . ILE A 1 29 ? 1.748 -16.075 -9.096 1.00 55.96 29 A 1 ATOM 214 C C . ILE A 1 29 ? 3.157 -16.416 -8.683 1.00 54.56 29 A 1 ATOM 215 O O . ILE A 1 29 ? 3.586 -16.106 -7.569 1.00 51.87 29 A 1 ATOM 216 C CB . ILE A 1 29 ? 1.442 -14.577 -9.055 1.00 53.47 29 A 1 ATOM 217 C CG1 . ILE A 1 29 ? -0.003 -14.365 -9.503 1.00 49.65 29 A 1 ATOM 218 C CG2 . ILE A 1 29 ? 2.412 -13.788 -9.961 1.00 48.15 29 A 1 ATOM 219 C CD1 . ILE A 1 29 ? -0.488 -12.963 -9.211 1.00 46.26 29 A 1 ATOM 220 N N . GLU A 1 30 ? 3.872 -17.085 -9.574 1.00 52.88 30 A 1 ATOM 221 C CA . GLU A 1 30 ? 5.274 -17.351 -9.364 1.00 53.57 30 A 1 ATOM 222 C C . GLU A 1 30 ? 6.053 -16.039 -9.327 1.00 53.50 30 A 1 ATOM 223 O O . GLU A 1 30 ? 5.732 -15.056 -9.994 1.00 50.36 30 A 1 ATOM 224 C CB . GLU A 1 30 ? 5.828 -18.298 -10.426 1.00 50.54 30 A 1 ATOM 225 C CG . GLU A 1 30 ? 5.244 -19.702 -10.308 1.00 44.35 30 A 1 ATOM 226 C CD . GLU A 1 30 ? 5.992 -20.728 -11.192 1.00 40.26 30 A 1 ATOM 227 O OE1 . GLU A 1 30 ? 5.739 -21.927 -11.005 1.00 36.86 30 A 1 ATOM 228 O OE2 . GLU A 1 30 ? 6.830 -20.303 -12.009 1.00 39.40 30 A 1 ATOM 229 N N . HIS A 1 31 ? 7.131 -16.020 -8.541 1.00 51.18 31 A 1 ATOM 230 C CA . HIS A 1 31 ? 8.017 -14.856 -8.434 1.00 50.32 31 A 1 ATOM 231 C C . HIS A 1 31 ? 8.561 -14.380 -9.775 1.00 49.46 31 A 1 ATOM 232 O O . HIS A 1 31 ? 8.940 -13.213 -9.897 1.00 47.40 31 A 1 ATOM 233 C CB . HIS A 1 31 ? 9.191 -15.211 -7.518 1.00 48.78 31 A 1 ATOM 234 C CG . HIS A 1 31 ? 8.955 -14.878 -6.083 1.00 43.22 31 A 1 ATOM 235 N ND1 . HIS A 1 31 ? 7.955 -15.357 -5.274 1.00 40.93 31 A 1 ATOM 236 C CD2 . HIS A 1 31 ? 9.717 -14.032 -5.322 1.00 40.38 31 A 1 ATOM 237 C CE1 . HIS A 1 31 ? 8.115 -14.811 -4.058 1.00 39.24 31 A 1 ATOM 238 N NE2 . HIS A 1 31 ? 9.176 -14.003 -4.045 1.00 38.69 31 A 1 ATOM 239 N N . THR A 1 32 ? 8.628 -15.257 -10.771 1.00 48.45 32 A 1 ATOM 240 C CA . THR A 1 32 ? 9.110 -15.004 -12.128 1.00 47.61 32 A 1 ATOM 241 C C . THR A 1 32 ? 8.233 -14.025 -12.905 1.00 48.09 32 A 1 ATOM 242 O O . THR A 1 32 ? 8.763 -13.269 -13.724 1.00 45.45 32 A 1 ATOM 243 C CB . THR A 1 32 ? 9.174 -16.320 -12.899 1.00 43.80 32 A 1 ATOM 244 O OG1 . THR A 1 32 ? 7.961 -17.014 -12.721 1.00 39.46 32 A 1 ATOM 245 C CG2 . THR A 1 32 ? 10.298 -17.224 -12.395 1.00 38.40 32 A 1 ATOM 246 N N . GLU A 1 33 ? 6.938 -13.948 -12.617 1.00 51.29 33 A 1 ATOM 247 C CA . GLU A 1 33 ? 6.039 -12.970 -13.244 1.00 51.91 33 A 1 ATOM 248 C C . GLU A 1 33 ? 6.205 -11.552 -12.687 1.00 52.00 33 A 1 ATOM 249 O O . GLU A 1 33 ? 5.525 -10.614 -13.118 1.00 48.93 33 A 1 ATOM 250 C CB . GLU A 1 33 ? 4.574 -13.398 -13.133 1.00 49.17 33 A 1 ATOM 251 C CG . GLU A 1 33 ? 4.235 -14.649 -13.925 1.00 44.03 33 A 1 ATOM 252 C CD . GLU A 1 33 ? 2.722 -14.797 -14.130 1.00 40.32 33 A 1 ATOM 253 O OE1 . GLU A 1 33 ? 2.330 -15.632 -14.970 1.00 38.53 33 A 1 ATOM 254 O OE2 . GLU A 1 33 ? 1.947 -14.045 -13.489 1.00 40.47 33 A 1 ATOM 255 N N . ARG A 1 34 ? 7.142 -11.350 -11.766 1.00 53.08 34 A 1 ATOM 256 C CA . ARG A 1 34 ? 7.592 -10.004 -11.428 1.00 53.93 34 A 1 ATOM 257 C C . ARG A 1 34 ? 8.092 -9.359 -12.710 1.00 54.50 34 A 1 ATOM 258 O O . ARG A 1 34 ? 9.215 -9.609 -13.133 1.00 52.20 34 A 1 ATOM 259 C CB . ARG A 1 34 ? 8.703 -10.028 -10.369 1.00 52.23 34 A 1 ATOM 260 C CG . ARG A 1 34 ? 8.140 -10.201 -8.958 1.00 47.22 34 A 1 ATOM 261 C CD . ARG A 1 34 ? 9.261 -10.197 -7.922 1.00 44.19 34 A 1 ATOM 262 N NE . ARG A 1 34 ? 8.727 -10.094 -6.546 1.00 41.99 34 A 1 ATOM 263 C CZ . ARG A 1 34 ? 9.395 -9.792 -5.443 1.00 38.91 34 A 1 ATOM 264 N NH1 . ARG A 1 34 ? 10.684 -9.607 -5.459 1.00 38.39 34 A 1 ATOM 265 N NH2 . ARG A 1 34 ? 8.775 -9.669 -4.326 1.00 36.93 34 A 1 ATOM 266 N N . SER A 1 35 ? 7.291 -8.484 -13.271 1.00 53.38 35 A 1 ATOM 267 C CA . SER A 1 35 ? 7.764 -7.576 -14.305 1.00 53.84 35 A 1 ATOM 268 C C . SER A 1 35 ? 9.080 -6.990 -13.827 1.00 54.77 35 A 1 ATOM 269 O O . SER A 1 35 ? 9.140 -6.563 -12.666 1.00 52.01 35 A 1 ATOM 270 C CB . SER A 1 35 ? 6.770 -6.441 -14.554 1.00 50.93 35 A 1 ATOM 271 O OG . SER A 1 35 ? 5.578 -6.958 -15.119 1.00 45.71 35 A 1 ATOM 272 N N . PRO A 1 36 ? 10.132 -7.003 -14.652 1.00 52.24 36 A 1 ATOM 273 C CA . PRO A 1 36 ? 11.402 -6.430 -14.273 1.00 53.52 36 A 1 ATOM 274 C C . PRO A 1 36 ? 11.133 -5.034 -13.726 1.00 55.45 36 A 1 ATOM 275 O O . PRO A 1 36 ? 10.223 -4.351 -14.200 1.00 53.39 36 A 1 ATOM 276 C CB . PRO A 1 36 ? 12.264 -6.434 -15.534 1.00 50.87 36 A 1 ATOM 277 C CG . PRO A 1 36 ? 11.249 -6.546 -16.675 1.00 50.26 36 A 1 ATOM 278 C CD . PRO A 1 36 ? 10.127 -7.354 -16.059 1.00 52.69 36 A 1 ATOM 279 N N . SER A 1 37 ? 11.883 -4.648 -12.685 1.00 55.26 37 A 1 ATOM 280 C CA . SER A 1 37 ? 11.832 -3.266 -12.215 1.00 56.04 37 A 1 ATOM 281 C C . SER A 1 37 ? 11.973 -2.390 -13.455 1.00 56.61 37 A 1 ATOM 282 O O . SER A 1 37 ? 12.974 -2.536 -14.160 1.00 53.50 37 A 1 ATOM 283 C CB . SER A 1 37 ? 12.980 -2.973 -11.258 1.00 53.20 37 A 1 ATOM 284 O OG . SER A 1 37 ? 12.781 -3.659 -10.036 1.00 47.86 37 A 1 ATOM 285 N N . PRO A 1 38 ? 10.964 -1.579 -13.800 1.00 53.47 38 A 1 ATOM 286 C CA . PRO A 1 38 ? 11.105 -0.727 -14.957 1.00 53.94 38 A 1 ATOM 287 C C . PRO A 1 38 ? 12.377 0.099 -14.775 1.00 55.25 38 A 1 ATOM 288 O O . PRO A 1 38 ? 12.778 0.350 -13.631 1.00 54.11 38 A 1 ATOM 289 C CB . PRO A 1 38 ? 9.825 0.115 -15.009 1.00 51.62 38 A 1 ATOM 290 C CG . PRO A 1 38 ? 9.309 0.077 -13.583 1.00 50.94 38 A 1 ATOM 291 C CD . PRO A 1 38 ? 9.766 -1.275 -13.067 1.00 52.30 38 A 1 ATOM 292 N N . PRO A 1 39 ? 13.056 0.493 -15.872 1.00 53.98 39 A 1 ATOM 293 C CA . PRO A 1 39 ? 14.128 1.471 -15.766 1.00 54.82 39 A 1 ATOM 294 C C . PRO A 1 39 ? 13.633 2.666 -14.944 1.00 56.64 39 A 1 ATOM 295 O O . PRO A 1 39 ? 12.426 2.808 -14.743 1.00 54.49 39 A 1 ATOM 296 C CB . PRO A 1 39 ? 14.484 1.836 -17.207 1.00 51.71 39 A 1 ATOM 297 C CG . PRO A 1 39 ? 13.232 1.490 -18.004 1.00 49.59 39 A 1 ATOM 298 C CD . PRO A 1 39 ? 12.669 0.303 -17.260 1.00 52.30 39 A 1 ATOM 299 N N . MET A 1 40 ? 14.536 3.512 -14.440 1.00 59.13 40 A 1 ATOM 300 C CA . MET A 1 40 ? 14.158 4.728 -13.709 1.00 59.70 40 A 1 ATOM 301 C C . MET A 1 40 ? 13.218 5.577 -14.566 1.00 61.14 40 A 1 ATOM 302 O O . MET A 1 40 ? 13.635 6.451 -15.319 1.00 58.45 40 A 1 ATOM 303 C CB . MET A 1 40 ? 15.406 5.537 -13.320 1.00 55.85 40 A 1 ATOM 304 C CG . MET A 1 40 ? 16.066 5.049 -12.039 1.00 49.65 40 A 1 ATOM 305 S SD . MET A 1 40 ? 17.507 6.035 -11.534 1.00 43.99 40 A 1 ATOM 306 C CE . MET A 1 40 ? 16.794 7.688 -11.371 1.00 40.99 40 A 1 ATOM 307 N N . VAL A 1 41 ? 11.932 5.261 -14.505 1.00 60.70 41 A 1 ATOM 308 C CA . VAL A 1 41 ? 10.887 6.039 -15.158 1.00 61.03 41 A 1 ATOM 309 C C . VAL A 1 41 ? 10.623 7.238 -14.274 1.00 62.68 41 A 1 ATOM 310 O O . VAL A 1 41 ? 10.638 7.128 -13.047 1.00 59.55 41 A 1 ATOM 311 C CB . VAL A 1 41 ? 9.618 5.209 -15.424 1.00 56.46 41 A 1 ATOM 312 C CG1 . VAL A 1 41 ? 8.622 5.979 -16.287 1.00 50.56 41 A 1 ATOM 313 C CG2 . VAL A 1 41 ? 9.924 3.908 -16.178 1.00 49.72 41 A 1 ATOM 314 N N . ALA A 1 42 ? 10.392 8.388 -14.901 1.00 68.19 42 A 1 ATOM 315 C CA . ALA A 1 42 ? 9.939 9.562 -14.188 1.00 69.73 42 A 1 ATOM 316 C C . ALA A 1 42 ? 8.774 9.187 -13.257 1.00 71.62 42 A 1 ATOM 317 O O . ALA A 1 42 ? 7.874 8.433 -13.635 1.00 68.47 42 A 1 ATOM 318 C CB . ALA A 1 42 ? 9.536 10.643 -15.198 1.00 65.08 42 A 1 ATOM 319 N N . MET A 1 43 ? 8.808 9.697 -12.023 1.00 75.28 43 A 1 ATOM 320 C CA . MET A 1 43 ? 7.765 9.396 -11.059 1.00 77.01 43 A 1 ATOM 321 C C . MET A 1 43 ? 6.417 9.841 -11.618 1.00 79.57 43 A 1 ATOM 322 O O . MET A 1 43 ? 6.296 11.006 -12.012 1.00 76.70 43 A 1 ATOM 323 C CB . MET A 1 43 ? 8.094 10.062 -9.723 1.00 72.96 43 A 1 ATOM 324 C CG . MET A 1 43 ? 7.375 9.336 -8.581 1.00 68.69 43 A 1 ATOM 325 S SD . MET A 1 43 ? 7.751 9.960 -6.920 1.00 65.09 43 A 1 ATOM 326 C CE . MET A 1 43 ? 9.538 9.892 -6.922 1.00 59.40 43 A 1 ATOM 327 N N . PRO A 1 44 ? 5.415 8.953 -11.710 1.00 78.11 44 A 1 ATOM 328 C CA . PRO A 1 44 ? 4.144 9.328 -12.308 1.00 79.20 44 A 1 ATOM 329 C C . PRO A 1 44 ? 3.485 10.421 -11.469 1.00 82.18 44 A 1 ATOM 330 O O . PRO A 1 44 ? 3.558 10.402 -10.242 1.00 80.11 44 A 1 ATOM 331 C CB . PRO A 1 44 ? 3.313 8.043 -12.349 1.00 74.81 44 A 1 ATOM 332 C CG . PRO A 1 44 ? 3.881 7.234 -11.198 1.00 74.27 44 A 1 ATOM 333 C CD . PRO A 1 44 ? 5.364 7.599 -11.198 1.00 77.31 44 A 1 ATOM 334 N N . ALA A 1 45 ? 2.808 11.351 -12.133 1.00 81.34 45 A 1 ATOM 335 C CA . ALA A 1 45 ? 1.918 12.259 -11.434 1.00 82.98 45 A 1 ATOM 336 C C . ALA A 1 45 ? 0.833 11.456 -10.699 1.00 85.10 45 A 1 ATOM 337 O O . ALA A 1 45 ? 0.352 10.437 -11.205 1.00 82.45 45 A 1 ATOM 338 C CB . ALA A 1 45 ? 1.324 13.255 -12.434 1.00 79.36 45 A 1 ATOM 339 N N . VAL A 1 46 ? 0.454 11.905 -9.508 1.00 86.84 46 A 1 ATOM 340 C CA . VAL A 1 46 ? -0.695 11.347 -8.802 1.00 87.91 46 A 1 ATOM 341 C C . VAL A 1 46 ? -1.944 11.955 -9.424 1.00 89.32 46 A 1 ATOM 342 O O . VAL A 1 46 ? -2.122 13.169 -9.326 1.00 87.34 46 A 1 ATOM 343 C CB . VAL A 1 46 ? -0.640 11.615 -7.290 1.00 85.37 46 A 1 ATOM 344 C CG1 . VAL A 1 46 ? -1.804 10.941 -6.577 1.00 79.05 46 A 1 ATOM 345 C CG2 . VAL A 1 46 ? 0.652 11.048 -6.690 1.00 81.55 46 A 1 ATOM 346 N N . PRO A 1 47 ? -2.807 11.158 -10.094 1.00 87.14 47 A 1 ATOM 347 C CA . PRO A 1 47 ? -4.062 11.683 -10.597 1.00 86.61 47 A 1 ATOM 348 C C . PRO A 1 47 ? -4.958 12.089 -9.430 1.00 88.22 47 A 1 ATOM 349 O O . PRO A 1 47 ? -4.931 11.461 -8.370 1.00 85.51 47 A 1 ATOM 350 C CB . PRO A 1 47 ? -4.659 10.551 -11.431 1.00 84.20 47 A 1 ATOM 351 C CG . PRO A 1 47 ? -4.113 9.294 -10.752 1.00 82.49 47 A 1 ATOM 352 C CD . PRO A 1 47 ? -2.729 9.721 -10.270 1.00 85.77 47 A 1 ATOM 353 N N . ALA A 1 48 ? -5.782 13.113 -9.634 1.00 89.19 48 A 1 ATOM 354 C CA . ALA A 1 48 ? -6.846 13.382 -8.687 1.00 88.79 48 A 1 ATOM 355 C C . ALA A 1 48 ? -7.820 12.193 -8.665 1.00 90.35 48 A 1 ATOM 356 O O . ALA A 1 48 ? -8.191 11.687 -9.730 1.00 86.92 48 A 1 ATOM 357 C CB . ALA A 1 48 ? -7.549 14.691 -9.063 1.00 84.68 48 A 1 ATOM 358 N N . PRO A 1 49 ? -8.241 11.710 -7.480 1.00 88.94 49 A 1 ATOM 359 C CA . PRO A 1 49 ? -9.259 10.678 -7.413 1.00 88.61 49 A 1 ATOM 360 C C . PRO A 1 49 ? -10.564 11.201 -8.019 1.00 90.94 49 A 1 ATOM 361 O O . PRO A 1 49 ? -10.909 12.371 -7.841 1.00 88.76 49 A 1 ATOM 362 C CB . PRO A 1 49 ? -9.412 10.293 -5.938 1.00 85.97 49 A 1 ATOM 363 C CG . PRO A 1 49 ? -8.610 11.323 -5.159 1.00 84.89 49 A 1 ATOM 364 C CD . PRO A 1 49 ? -7.851 12.179 -6.165 1.00 87.04 49 A 1 ATOM 365 N N . PRO A 1 50 ? -11.333 10.348 -8.739 1.00 87.33 50 A 1 ATOM 366 C CA . PRO A 1 50 ? -12.614 10.769 -9.285 1.00 85.67 50 A 1 ATOM 367 C C . PRO A 1 50 ? -13.575 11.232 -8.188 1.00 87.47 50 A 1 ATOM 368 O O . PRO A 1 50 ? -13.799 10.513 -7.218 1.00 86.47 50 A 1 ATOM 369 C CB . PRO A 1 50 ? -13.152 9.552 -10.039 1.00 83.62 50 A 1 ATOM 370 C CG . PRO A 1 50 ? -11.904 8.743 -10.364 1.00 81.43 50 A 1 ATOM 371 C CD . PRO A 1 50 ? -11.000 9.002 -9.174 1.00 85.08 50 A 1 ATOM 372 N N . HIS A 1 51 ? -14.242 12.376 -8.396 1.00 90.35 51 A 1 ATOM 373 C CA . HIS A 1 51 ? -15.243 12.899 -7.447 1.00 90.08 51 A 1 ATOM 374 C C . HIS A 1 51 ? -16.377 11.918 -7.128 1.00 92.24 51 A 1 ATOM 375 O O . HIS A 1 51 ? -16.976 11.992 -6.055 1.00 89.39 51 A 1 ATOM 376 C CB . HIS A 1 51 ? -15.832 14.197 -7.995 1.00 85.95 51 A 1 ATOM 377 C CG . HIS A 1 51 ? -14.862 15.343 -7.988 1.00 78.38 51 A 1 ATOM 378 N ND1 . HIS A 1 51 ? -14.395 15.999 -6.867 1.00 67.62 51 A 1 ATOM 379 C CD2 . HIS A 1 51 ? -14.277 15.936 -9.062 1.00 66.44 51 A 1 ATOM 380 C CE1 . HIS A 1 51 ? -13.554 16.955 -7.260 1.00 64.23 51 A 1 ATOM 381 N NE2 . HIS A 1 51 ? -13.454 16.956 -8.584 1.00 65.20 51 A 1 ATOM 382 N N . ARG A 1 52 ? -16.649 10.950 -8.022 1.00 92.21 52 A 1 ATOM 383 C CA . ARG A 1 52 ? -17.631 9.897 -7.776 1.00 92.83 52 A 1 ATOM 384 C C . ARG A 1 52 ? -17.303 9.029 -6.562 1.00 94.43 52 A 1 ATOM 385 O O . ARG A 1 52 ? -18.220 8.446 -6.001 1.00 93.24 52 A 1 ATOM 386 C CB . ARG A 1 52 ? -17.861 9.048 -9.034 1.00 88.75 52 A 1 ATOM 387 C CG . ARG A 1 52 ? -16.689 8.118 -9.389 1.00 81.97 52 A 1 ATOM 388 C CD . ARG A 1 52 ? -17.048 7.290 -10.625 1.00 81.13 52 A 1 ATOM 389 N NE . ARG A 1 52 ? -15.948 6.408 -11.032 1.00 78.13 52 A 1 ATOM 390 C CZ . ARG A 1 52 ? -15.915 5.588 -12.068 1.00 77.08 52 A 1 ATOM 391 N NH1 . ARG A 1 52 ? -16.915 5.473 -12.887 1.00 70.80 52 A 1 ATOM 392 N NH2 . ARG A 1 52 ? -14.857 4.884 -12.295 1.00 71.02 52 A 1 ATOM 393 N N . LEU A 1 53 ? -16.045 8.949 -6.137 1.00 93.94 53 A 1 ATOM 394 C CA . LEU A 1 53 ? -15.675 8.236 -4.915 1.00 94.59 53 A 1 ATOM 395 C C . LEU A 1 53 ? -16.343 8.866 -3.702 1.00 94.92 53 A 1 ATOM 396 O O . LEU A 1 53 ? -17.028 8.174 -2.959 1.00 93.65 53 A 1 ATOM 397 C CB . LEU A 1 53 ? -14.153 8.226 -4.729 1.00 93.96 53 A 1 ATOM 398 C CG . LEU A 1 53 ? -13.409 7.214 -5.611 1.00 91.88 53 A 1 ATOM 399 C CD1 . LEU A 1 53 ? -11.904 7.405 -5.442 1.00 90.15 53 A 1 ATOM 400 C CD2 . LEU A 1 53 ? -13.762 5.773 -5.219 1.00 89.91 53 A 1 ATOM 401 N N . LEU A 1 54 ? -16.208 10.182 -3.535 1.00 95.46 54 A 1 ATOM 402 C CA . LEU A 1 54 ? -16.862 10.892 -2.447 1.00 95.50 54 A 1 ATOM 403 C C . LEU A 1 54 ? -18.383 10.868 -2.594 1.00 95.61 54 A 1 ATOM 404 O O . LEU A 1 54 ? -19.087 10.625 -1.617 1.00 94.38 54 A 1 ATOM 405 C CB . LEU A 1 54 ? -16.317 12.328 -2.385 1.00 94.84 54 A 1 ATOM 406 C CG . LEU A 1 54 ? -16.889 13.152 -1.224 1.00 93.53 54 A 1 ATOM 407 C CD1 . LEU A 1 54 ? -16.507 12.585 0.141 1.00 91.57 54 A 1 ATOM 408 C CD2 . LEU A 1 54 ? -16.357 14.581 -1.316 1.00 91.09 54 A 1 ATOM 409 N N . ALA A 1 55 ? -18.891 11.049 -3.826 1.00 95.44 55 A 1 ATOM 410 C CA . ALA A 1 55 ? -20.329 11.057 -4.080 1.00 95.31 55 A 1 ATOM 411 C C . ALA A 1 55 ? -21.013 9.722 -3.741 1.00 95.38 55 A 1 ATOM 412 O O . ALA A 1 55 ? -22.122 9.717 -3.229 1.00 94.06 55 A 1 ATOM 413 C CB . ALA A 1 55 ? -20.552 11.435 -5.548 1.00 94.79 55 A 1 ATOM 414 N N . LEU A 1 56 ? -20.349 8.592 -4.025 1.00 95.83 56 A 1 ATOM 415 C CA . LEU A 1 56 ? -20.933 7.259 -3.848 1.00 95.35 56 A 1 ATOM 416 C C . LEU A 1 56 ? -20.582 6.610 -2.504 1.00 95.58 56 A 1 ATOM 417 O O . LEU A 1 56 ? -21.401 5.873 -1.963 1.00 94.21 56 A 1 ATOM 418 C CB . LEU A 1 56 ? -20.516 6.351 -5.014 1.00 94.82 56 A 1 ATOM 419 C CG . LEU A 1 56 ? -21.029 6.785 -6.394 1.00 92.24 56 A 1 ATOM 420 C CD1 . LEU A 1 56 ? -20.461 5.855 -7.472 1.00 88.75 56 A 1 ATOM 421 C CD2 . LEU A 1 56 ? -22.549 6.741 -6.492 1.00 88.22 56 A 1 ATOM 422 N N . CYS A 1 57 ? -19.389 6.856 -1.973 1.00 95.64 57 A 1 ATOM 423 C CA . CYS A 1 57 ? -18.988 6.308 -0.674 1.00 95.37 57 A 1 ATOM 424 C C . CYS A 1 57 ? -19.380 7.223 0.494 1.00 95.92 57 A 1 ATOM 425 O O . CYS A 1 57 ? -19.530 6.751 1.615 1.00 94.43 57 A 1 ATOM 426 C CB . CYS A 1 57 ? -17.480 6.034 -0.648 1.00 94.53 57 A 1 ATOM 427 S SG . CYS A 1 57 ? -16.980 4.907 -1.983 1.00 91.11 57 A 1 ATOM 428 N N . GLY A 1 58 ? -19.504 8.514 0.245 1.00 95.62 58 A 1 ATOM 429 C CA . GLY A 1 58 ? -19.596 9.537 1.272 1.00 96.29 58 A 1 ATOM 430 C C . GLY A 1 58 ? -18.334 9.615 2.137 1.00 97.26 58 A 1 ATOM 431 O O . GLY A 1 58 ? -17.449 8.759 2.082 1.00 97.02 58 A 1 ATOM 432 N N . GLU A 1 59 ? -18.264 10.639 2.987 1.00 97.09 59 A 1 ATOM 433 C CA . GLU A 1 59 ? -17.158 10.761 3.949 1.00 97.36 59 A 1 ATOM 434 C C . GLU A 1 59 ? -17.087 9.557 4.886 1.00 97.52 59 A 1 ATOM 435 O O . GLU A 1 59 ? -16.016 9.018 5.146 1.00 97.30 59 A 1 ATOM 436 C CB . GLU A 1 59 ? -17.341 12.030 4.795 1.00 96.90 59 A 1 ATOM 437 C CG . GLU A 1 59 ? -17.247 13.312 3.970 1.00 94.97 59 A 1 ATOM 438 C CD . GLU A 1 59 ? -17.259 14.569 4.854 1.00 95.18 59 A 1 ATOM 439 O OE1 . GLU A 1 59 ? -17.529 15.654 4.311 1.00 91.73 59 A 1 ATOM 440 O OE2 . GLU A 1 59 ? -16.970 14.454 6.064 1.00 92.96 59 A 1 ATOM 441 N N . VAL A 1 60 ? -18.247 9.072 5.346 1.00 97.72 60 A 1 ATOM 442 C CA . VAL A 1 60 ? -18.346 7.908 6.235 1.00 97.74 60 A 1 ATOM 443 C C . VAL A 1 60 ? -17.773 6.658 5.565 1.00 97.86 60 A 1 ATOM 444 O O . VAL A 1 60 ? -17.029 5.900 6.199 1.00 97.52 60 A 1 ATOM 445 C CB . VAL A 1 60 ? -19.814 7.675 6.661 1.00 97.16 60 A 1 ATOM 446 C CG1 . VAL A 1 60 ? -19.965 6.421 7.527 1.00 92.50 60 A 1 ATOM 447 C CG2 . VAL A 1 60 ? -20.337 8.864 7.463 1.00 92.20 60 A 1 ATOM 448 N N . GLY A 1 61 ? -18.074 6.443 4.287 1.00 97.01 61 A 1 ATOM 449 C CA . GLY A 1 61 ? -17.550 5.311 3.526 1.00 97.08 61 A 1 ATOM 450 C C . GLY A 1 61 ? -16.035 5.383 3.324 1.00 97.55 61 A 1 ATOM 451 O O . GLY A 1 61 ? -15.342 4.388 3.520 1.00 97.42 61 A 1 ATOM 452 N N . LEU A 1 62 ? -15.515 6.576 3.017 1.00 97.42 62 A 1 ATOM 453 C CA . LEU A 1 62 ? -14.070 6.801 2.879 1.00 97.56 62 A 1 ATOM 454 C C . LEU A 1 62 ? -13.343 6.607 4.211 1.00 97.69 62 A 1 ATOM 455 O O . LEU A 1 62 ? -12.354 5.879 4.262 1.00 97.53 62 A 1 ATOM 456 C CB . LEU A 1 62 ? -13.814 8.197 2.294 1.00 97.35 62 A 1 ATOM 457 C CG . LEU A 1 62 ? -14.257 8.376 0.829 1.00 96.57 62 A 1 ATOM 458 C CD1 . LEU A 1 62 ? -14.020 9.822 0.403 1.00 95.85 62 A 1 ATOM 459 C CD2 . LEU A 1 62 ? -13.496 7.462 -0.127 1.00 95.45 62 A 1 ATOM 460 N N . ARG A 1 63 ? -13.864 7.161 5.309 1.00 97.85 63 A 1 ATOM 461 C CA . ARG A 1 63 ? -13.303 6.948 6.655 1.00 97.73 63 A 1 ATOM 462 C C . ARG A 1 63 ? -13.346 5.480 7.061 1.00 97.82 63 A 1 ATOM 463 O O . ARG A 1 63 ? -12.388 4.976 7.642 1.00 97.70 63 A 1 ATOM 464 C CB . ARG A 1 63 ? -14.017 7.813 7.698 1.00 97.27 63 A 1 ATOM 465 C CG . ARG A 1 63 ? -13.650 9.298 7.575 1.00 94.22 63 A 1 ATOM 466 C CD . ARG A 1 63 ? -14.199 10.108 8.758 1.00 93.46 63 A 1 ATOM 467 N NE . ARG A 1 63 ? -13.967 11.550 8.614 1.00 92.92 63 A 1 ATOM 468 C CZ . ARG A 1 63 ? -12.846 12.233 8.884 1.00 93.30 63 A 1 ATOM 469 N NH1 . ARG A 1 63 ? -11.760 11.685 9.347 1.00 87.47 63 A 1 ATOM 470 N NH2 . ARG A 1 63 ? -12.808 13.504 8.676 1.00 89.56 63 A 1 ATOM 471 N N . ARG A 1 64 ? -14.415 4.748 6.712 1.00 98.08 64 A 1 ATOM 472 C CA . ARG A 1 64 ? -14.519 3.305 6.969 1.00 98.09 64 A 1 ATOM 473 C C . ARG A 1 64 ? -13.447 2.511 6.219 1.00 98.02 64 A 1 ATOM 474 O O . ARG A 1 64 ? -12.850 1.604 6.803 1.00 97.83 64 A 1 ATOM 475 C CB . ARG A 1 64 ? -15.936 2.825 6.619 1.00 97.66 64 A 1 ATOM 476 C CG . ARG A 1 64 ? -16.142 1.353 7.002 1.00 90.23 64 A 1 ATOM 477 C CD . ARG A 1 64 ? -17.567 0.916 6.676 1.00 86.98 64 A 1 ATOM 478 N NE . ARG A 1 64 ? -17.790 -0.496 7.036 1.00 77.27 64 A 1 ATOM 479 C CZ . ARG A 1 64 ? -18.931 -1.142 6.971 1.00 71.64 64 A 1 ATOM 480 N NH1 . ARG A 1 64 ? -20.032 -0.562 6.575 1.00 65.10 64 A 1 ATOM 481 N NH2 . ARG A 1 64 ? -18.989 -2.397 7.312 1.00 65.37 64 A 1 ATOM 482 N N . LEU A 1 65 ? -13.170 2.856 4.958 1.00 98.00 65 A 1 ATOM 483 C CA . LEU A 1 65 ? -12.091 2.247 4.183 1.00 98.03 65 A 1 ATOM 484 C C . LEU A 1 65 ? -10.724 2.520 4.823 1.00 97.79 65 A 1 ATOM 485 O O . LEU A 1 65 ? -9.948 1.582 5.038 1.00 97.38 65 A 1 ATOM 486 C CB . LEU A 1 65 ? -12.152 2.746 2.730 1.00 98.11 65 A 1 ATOM 487 C CG . LEU A 1 65 ? -10.981 2.276 1.855 1.00 97.61 65 A 1 ATOM 488 C CD1 . LEU A 1 65 ? -10.927 0.752 1.721 1.00 96.95 65 A 1 ATOM 489 C CD2 . LEU A 1 65 ? -11.104 2.880 0.461 1.00 96.88 65 A 1 ATOM 490 N N . VAL A 1 66 ? -10.451 3.776 5.179 1.00 97.49 66 A 1 ATOM 491 C CA . VAL A 1 66 ? -9.213 4.171 5.859 1.00 96.72 66 A 1 ATOM 492 C C . VAL A 1 66 ? -9.059 3.420 7.185 1.00 96.24 66 A 1 ATOM 493 O O . VAL A 1 66 ? -8.025 2.803 7.416 1.00 95.79 66 A 1 ATOM 494 C CB . VAL A 1 66 ? -9.167 5.690 6.085 1.00 96.15 66 A 1 ATOM 495 C CG1 . VAL A 1 66 ? -8.004 6.108 6.990 1.00 95.14 66 A 1 ATOM 496 C CG2 . VAL A 1 66 ? -8.998 6.410 4.743 1.00 95.36 66 A 1 ATOM 497 N N . HIS A 1 67 ? -10.091 3.403 8.010 1.00 97.34 67 A 1 ATOM 498 C CA . HIS A 1 67 ? -10.068 2.695 9.289 1.00 96.93 67 A 1 ATOM 499 C C . HIS A 1 67 ? -9.772 1.205 9.096 1.00 96.23 67 A 1 ATOM 500 O O . HIS A 1 67 ? -8.936 0.629 9.812 1.00 95.56 67 A 1 ATOM 501 C CB . HIS A 1 67 ? -11.402 2.914 10.008 1.00 96.74 67 A 1 ATOM 502 C CG . HIS A 1 67 ? -11.444 2.226 11.350 1.00 92.60 67 A 1 ATOM 503 N ND1 . HIS A 1 67 ? -11.829 0.927 11.584 1.00 78.81 67 A 1 ATOM 504 C CD2 . HIS A 1 67 ? -11.041 2.738 12.558 1.00 81.21 67 A 1 ATOM 505 C CE1 . HIS A 1 67 ? -11.665 0.671 12.890 1.00 80.71 67 A 1 ATOM 506 N NE2 . HIS A 1 67 ? -11.188 1.747 13.517 1.00 82.40 67 A 1 ATOM 507 N N . ARG A 1 68 ? -10.407 0.559 8.099 1.00 97.08 68 A 1 ATOM 508 C CA . ARG A 1 68 ? -10.144 -0.848 7.799 1.00 96.76 68 A 1 ATOM 509 C C . ARG A 1 68 ? -8.712 -1.073 7.343 1.00 96.24 68 A 1 ATOM 510 O O . ARG A 1 68 ? -8.065 -2.009 7.822 1.00 95.66 68 A 1 ATOM 511 C CB . ARG A 1 68 ? -11.165 -1.368 6.783 1.00 96.74 68 A 1 ATOM 512 C CG . ARG A 1 68 ? -11.012 -2.870 6.492 1.00 92.05 68 A 1 ATOM 513 C CD . ARG A 1 68 ? -11.109 -3.716 7.773 1.00 90.63 68 A 1 ATOM 514 N NE . ARG A 1 68 ? -11.000 -5.144 7.476 1.00 86.50 68 A 1 ATOM 515 C CZ . ARG A 1 68 ? -10.944 -6.143 8.336 1.00 83.64 68 A 1 ATOM 516 N NH1 . ARG A 1 68 ? -10.979 -5.941 9.623 1.00 74.51 68 A 1 ATOM 517 N NH2 . ARG A 1 68 ? -10.829 -7.354 7.893 1.00 75.46 68 A 1 ATOM 518 N N . HIS A 1 69 ? -8.191 -0.209 6.472 1.00 96.13 69 A 1 ATOM 519 C CA . HIS A 1 69 ? -6.811 -0.283 5.999 1.00 95.58 69 A 1 ATOM 520 C C . HIS A 1 69 ? -5.817 -0.130 7.150 1.00 94.59 69 A 1 ATOM 521 O O . HIS A 1 69 ? -4.961 -0.999 7.336 1.00 93.85 69 A 1 ATOM 522 C CB . HIS A 1 69 ? -6.600 0.771 4.909 1.00 95.48 69 A 1 ATOM 523 C CG . HIS A 1 69 ? -5.255 0.696 4.243 1.00 95.36 69 A 1 ATOM 524 N ND1 . HIS A 1 69 ? -4.621 1.759 3.620 1.00 92.67 69 A 1 ATOM 525 C CD2 . HIS A 1 69 ? -4.445 -0.399 4.087 1.00 93.00 69 A 1 ATOM 526 C CE1 . HIS A 1 69 ? -3.478 1.310 3.119 1.00 92.52 69 A 1 ATOM 527 N NE2 . HIS A 1 69 ? -3.325 0.009 3.387 1.00 92.65 69 A 1 ATOM 528 N N . MET A 1 70 ? -5.985 0.885 7.994 1.00 93.99 70 A 1 ATOM 529 C CA . MET A 1 70 ? -5.132 1.117 9.157 1.00 92.65 70 A 1 ATOM 530 C C . MET A 1 70 ? -5.190 -0.040 10.159 1.00 92.05 70 A 1 ATOM 531 O O . MET A 1 70 ? -4.162 -0.472 10.672 1.00 90.80 70 A 1 ATOM 532 C CB . MET A 1 70 ? -5.532 2.431 9.827 1.00 91.52 70 A 1 ATOM 533 C CG . MET A 1 70 ? -5.247 3.668 8.962 1.00 89.10 70 A 1 ATOM 534 S SD . MET A 1 70 ? -3.519 3.896 8.472 1.00 85.67 70 A 1 ATOM 535 C CE . MET A 1 70 ? -2.801 4.360 10.057 1.00 79.90 70 A 1 ATOM 536 N N . THR A 1 71 ? -6.366 -0.612 10.378 1.00 92.85 71 A 1 ATOM 537 C CA . THR A 1 71 ? -6.526 -1.800 11.240 1.00 92.67 71 A 1 ATOM 538 C C . THR A 1 71 ? -5.764 -3.002 10.691 1.00 91.97 71 A 1 ATOM 539 O O . THR A 1 71 ? -5.124 -3.718 11.453 1.00 91.06 71 A 1 ATOM 540 C CB . THR A 1 71 ? -8.010 -2.155 11.416 1.00 92.80 71 A 1 ATOM 541 O OG1 . THR A 1 71 ? -8.697 -1.092 12.021 1.00 88.63 71 A 1 ATOM 542 C CG2 . THR A 1 71 ? -8.221 -3.370 12.327 1.00 86.23 71 A 1 ATOM 543 N N . ARG A 1 72 ? -5.789 -3.228 9.374 1.00 91.95 72 A 1 ATOM 544 C CA . ARG A 1 72 ? -5.008 -4.298 8.742 1.00 91.65 72 A 1 ATOM 545 C C . ARG A 1 72 ? -3.505 -4.019 8.823 1.00 90.64 72 A 1 ATOM 546 O O . ARG A 1 72 ? -2.748 -4.926 9.167 1.00 89.34 72 A 1 ATOM 547 C CB . ARG A 1 72 ? -5.434 -4.492 7.283 1.00 92.28 72 A 1 ATOM 548 C CG . ARG A 1 72 ? -6.852 -5.076 7.152 1.00 90.94 72 A 1 ATOM 549 C CD . ARG A 1 72 ? -7.228 -5.272 5.677 1.00 89.55 72 A 1 ATOM 550 N NE . ARG A 1 72 ? -6.590 -6.477 5.140 1.00 88.77 72 A 1 ATOM 551 C CZ . ARG A 1 72 ? -7.163 -7.651 4.901 1.00 89.14 72 A 1 ATOM 552 N NH1 . ARG A 1 72 ? -8.442 -7.834 5.007 1.00 83.61 72 A 1 ATOM 553 N NH2 . ARG A 1 72 ? -6.437 -8.656 4.563 1.00 85.88 72 A 1 ATOM 554 N N . LEU A 1 73 ? -3.082 -2.785 8.566 1.00 90.88 73 A 1 ATOM 555 C CA . LEU A 1 73 ? -1.681 -2.380 8.656 1.00 89.88 73 A 1 ATOM 556 C C . LEU A 1 73 ? -1.116 -2.551 10.069 1.00 88.35 73 A 1 ATOM 557 O O . LEU A 1 73 ? 0.018 -2.987 10.214 1.00 86.65 73 A 1 ATOM 558 C CB . LEU A 1 73 ? -1.520 -0.930 8.204 1.00 89.88 73 A 1 ATOM 559 C CG . LEU A 1 73 ? -1.654 -0.701 6.690 1.00 89.23 73 A 1 ATOM 560 C CD1 . LEU A 1 73 ? -1.529 0.791 6.404 1.00 89.16 73 A 1 ATOM 561 C CD2 . LEU A 1 73 ? -0.582 -1.442 5.889 1.00 89.44 73 A 1 ATOM 562 N N . ARG A 1 74 ? -1.913 -2.295 11.101 1.00 88.76 74 A 1 ATOM 563 C CA . ARG A 1 74 ? -1.515 -2.493 12.502 1.00 87.72 74 A 1 ATOM 564 C C . ARG A 1 74 ? -1.148 -3.944 12.833 1.00 87.29 74 A 1 ATOM 565 O O . ARG A 1 74 ? -0.401 -4.182 13.775 1.00 85.16 74 A 1 ATOM 566 C CB . ARG A 1 74 ? -2.657 -1.973 13.396 1.00 85.99 74 A 1 ATOM 567 C CG . ARG A 1 74 ? -2.283 -1.999 14.883 1.00 80.84 74 A 1 ATOM 568 C CD . ARG A 1 74 ? -3.398 -1.400 15.729 1.00 78.71 74 A 1 ATOM 569 N NE . ARG A 1 74 ? -3.335 -1.919 17.098 1.00 73.47 74 A 1 ATOM 570 C CZ . ARG A 1 74 ? -4.218 -1.700 18.057 1.00 69.83 74 A 1 ATOM 571 N NH1 . ARG A 1 74 ? -5.232 -0.895 17.880 1.00 65.76 74 A 1 ATOM 572 N NH2 . ARG A 1 74 ? -4.090 -2.299 19.196 1.00 62.63 74 A 1 ATOM 573 N N . LEU A 1 75 ? -1.638 -4.905 12.056 1.00 87.16 75 A 1 ATOM 574 C CA . LEU A 1 75 ? -1.299 -6.329 12.190 1.00 86.42 75 A 1 ATOM 575 C C . LEU A 1 75 ? -0.060 -6.723 11.370 1.00 86.02 75 A 1 ATOM 576 O O . LEU A 1 75 ? 0.289 -7.900 11.302 1.00 83.80 75 A 1 ATOM 577 C CB . LEU A 1 75 ? -2.517 -7.179 11.803 1.00 85.50 75 A 1 ATOM 578 C CG . LEU A 1 75 ? -3.790 -6.893 12.613 1.00 82.69 75 A 1 ATOM 579 C CD1 . LEU A 1 75 ? -4.947 -7.733 12.071 1.00 78.35 75 A 1 ATOM 580 C CD2 . LEU A 1 75 ? -3.613 -7.222 14.099 1.00 78.78 75 A 1 ATOM 581 N N . THR A 1 76 ? 0.592 -5.763 10.730 1.00 86.27 76 A 1 ATOM 582 C CA . THR A 1 76 ? 1.804 -5.974 9.935 1.00 85.86 76 A 1 ATOM 583 C C . THR A 1 76 ? 3.008 -5.291 10.584 1.00 84.86 76 A 1 ATOM 584 O O . THR A 1 76 ? 2.825 -4.327 11.334 1.00 82.89 76 A 1 ATOM 585 C CB . THR A 1 76 ? 1.648 -5.464 8.491 1.00 86.01 76 A 1 ATOM 586 O OG1 . THR A 1 76 ? 1.715 -4.055 8.432 1.00 84.64 76 A 1 ATOM 587 C CG2 . THR A 1 76 ? 0.364 -5.929 7.815 1.00 84.83 76 A 1 ATOM 588 N N . PRO A 1 77 ? 4.238 -5.698 10.244 1.00 83.33 77 A 1 ATOM 589 C CA . PRO A 1 77 ? 5.438 -5.015 10.724 1.00 81.66 77 A 1 ATOM 590 C C . PRO A 1 77 ? 5.486 -3.523 10.374 1.00 81.44 77 A 1 ATOM 591 O O . PRO A 1 77 ? 6.141 -2.763 11.068 1.00 78.75 77 A 1 ATOM 592 C CB . PRO A 1 77 ? 6.612 -5.763 10.087 1.00 80.14 77 A 1 ATOM 593 C CG . PRO A 1 77 ? 6.046 -7.157 9.831 1.00 78.82 77 A 1 ATOM 594 C CD . PRO A 1 77 ? 4.598 -6.873 9.472 1.00 81.46 77 A 1 ATOM 595 N N . LEU A 1 78 ? 4.774 -3.097 9.319 1.00 82.87 78 A 1 ATOM 596 C CA . LEU A 1 78 ? 4.778 -1.710 8.854 1.00 82.58 78 A 1 ATOM 597 C C . LEU A 1 78 ? 4.265 -0.734 9.920 1.00 80.82 78 A 1 ATOM 598 O O . LEU A 1 78 ? 4.846 0.335 10.091 1.00 77.74 78 A 1 ATOM 599 C CB . LEU A 1 78 ? 3.933 -1.608 7.580 1.00 82.66 78 A 1 ATOM 600 C CG . LEU A 1 78 ? 3.954 -0.217 6.933 1.00 81.39 78 A 1 ATOM 601 C CD1 . LEU A 1 78 ? 5.359 0.131 6.410 1.00 79.41 78 A 1 ATOM 602 C CD2 . LEU A 1 78 ? 2.984 -0.169 5.763 1.00 79.26 78 A 1 ATOM 603 N N . LEU A 1 79 ? 3.182 -1.071 10.608 1.00 81.86 79 A 1 ATOM 604 C CA . LEU A 1 79 ? 2.557 -0.195 11.596 1.00 80.34 79 A 1 ATOM 605 C C . LEU A 1 79 ? 2.734 -0.697 13.034 1.00 78.64 79 A 1 ATOM 606 O O . LEU A 1 79 ? 2.673 0.095 13.959 1.00 72.85 79 A 1 ATOM 607 C CB . LEU A 1 79 ? 1.075 -0.004 11.244 1.00 78.54 79 A 1 ATOM 608 C CG . LEU A 1 79 ? 0.488 1.313 11.771 1.00 75.74 79 A 1 ATOM 609 C CD1 . LEU A 1 79 ? 0.957 2.509 10.952 1.00 72.38 79 A 1 ATOM 610 C CD2 . LEU A 1 79 ? -1.039 1.277 11.707 1.00 72.58 79 A 1 ATOM 611 N N . ALA A 1 80 ? 2.967 -1.985 13.218 1.00 74.09 80 A 1 ATOM 612 C CA . ALA A 1 80 ? 3.170 -2.563 14.547 1.00 70.32 80 A 1 ATOM 613 C C . ALA A 1 80 ? 4.428 -2.021 15.237 1.00 68.26 80 A 1 ATOM 614 O O . ALA A 1 80 ? 4.441 -1.893 16.457 1.00 63.34 80 A 1 ATOM 615 C CB . ALA A 1 80 ? 3.232 -4.085 14.421 1.00 67.33 80 A 1 ATOM 616 N N . SER A 1 81 ? 5.455 -1.666 14.462 1.00 65.08 81 A 1 ATOM 617 C CA . SER A 1 81 ? 6.679 -1.032 14.959 1.00 61.30 81 A 1 ATOM 618 C C . SER A 1 81 ? 6.600 0.489 15.026 1.00 60.53 81 A 1 ATOM 619 O O . SER A 1 81 ? 7.599 1.140 15.314 1.00 55.06 81 A 1 ATOM 620 C CB . SER A 1 81 ? 7.862 -1.465 14.092 1.00 55.87 81 A 1 ATOM 621 O OG . SER A 1 81 ? 7.655 -1.110 12.741 1.00 50.39 81 A 1 ATOM 622 N N . HIS A 1 82 ? 5.445 1.087 14.698 1.00 61.30 82 A 1 ATOM 623 C CA . HIS A 1 82 ? 5.322 2.533 14.676 1.00 59.11 82 A 1 ATOM 624 C C . HIS A 1 82 ? 4.983 3.061 16.075 1.00 58.37 82 A 1 ATOM 625 O O . HIS A 1 82 ? 3.831 3.368 16.384 1.00 53.95 82 A 1 ATOM 626 C CB . HIS A 1 82 ? 4.332 2.975 13.597 1.00 55.80 82 A 1 ATOM 627 C CG . HIS A 1 82 ? 4.431 4.446 13.340 1.00 52.73 82 A 1 ATOM 628 N ND1 . HIS A 1 82 ? 5.519 5.081 12.776 1.00 47.84 82 A 1 ATOM 629 C CD2 . HIS A 1 82 ? 3.528 5.414 13.653 1.00 47.39 82 A 1 ATOM 630 C CE1 . HIS A 1 82 ? 5.270 6.397 12.768 1.00 47.11 82 A 1 ATOM 631 N NE2 . HIS A 1 82 ? 4.071 6.640 13.285 1.00 46.33 82 A 1 ATOM 632 N N . ASP A 1 83 ? 6.022 3.219 16.880 1.00 57.63 83 A 1 ATOM 633 C CA . ASP A 1 83 ? 5.973 3.895 18.180 1.00 56.16 83 A 1 ATOM 634 C C . ASP A 1 83 ? 5.973 5.422 18.026 1.00 56.43 83 A 1 ATOM 635 O O . ASP A 1 83 ? 6.540 6.156 18.829 1.00 51.05 83 A 1 ATOM 636 C CB . ASP A 1 83 ? 7.134 3.405 19.069 1.00 50.34 83 A 1 ATOM 637 C CG . ASP A 1 83 ? 7.022 1.944 19.486 1.00 45.01 83 A 1 ATOM 638 O OD1 . ASP A 1 83 ? 5.891 1.447 19.614 1.00 41.50 83 A 1 ATOM 639 O OD2 . ASP A 1 83 ? 8.092 1.338 19.710 1.00 40.98 83 A 1 ATOM 640 N N . GLY A 1 84 ? 5.376 5.932 16.942 1.00 59.47 84 A 1 ATOM 641 C CA . GLY A 1 84 ? 5.298 7.359 16.695 1.00 58.71 84 A 1 ATOM 642 C C . GLY A 1 84 ? 4.526 8.091 17.801 1.00 60.40 84 A 1 ATOM 643 O O . GLY A 1 84 ? 3.693 7.499 18.491 1.00 56.80 84 A 1 ATOM 644 N N . PRO A 1 85 ? 4.743 9.409 17.949 1.00 54.56 85 A 1 ATOM 645 C CA . PRO A 1 85 ? 4.128 10.191 19.020 1.00 52.77 85 A 1 ATOM 646 C C . PRO A 1 85 ? 2.608 10.286 18.893 1.00 55.77 85 A 1 ATOM 647 O O . PRO A 1 85 ? 1.926 10.621 19.855 1.00 53.00 85 A 1 ATOM 648 C CB . PRO A 1 85 ? 4.793 11.558 18.930 1.00 48.10 85 A 1 ATOM 649 C CG . PRO A 1 85 ? 5.202 11.674 17.460 1.00 47.14 85 A 1 ATOM 650 C CD . PRO A 1 85 ? 5.578 10.240 17.100 1.00 50.47 85 A 1 ATOM 651 N N . GLU A 1 86 ? 2.073 10.018 17.706 1.00 66.06 86 A 1 ATOM 652 C CA . GLU A 1 86 ? 0.651 10.085 17.442 1.00 66.35 86 A 1 ATOM 653 C C . GLU A 1 86 ? -0.015 8.746 17.707 1.00 68.52 86 A 1 ATOM 654 O O . GLU A 1 86 ? 0.387 7.704 17.196 1.00 64.58 86 A 1 ATOM 655 C CB . GLU A 1 86 ? 0.395 10.582 16.022 1.00 61.44 86 A 1 ATOM 656 C CG . GLU A 1 86 ? 0.866 12.029 15.863 1.00 53.71 86 A 1 ATOM 657 C CD . GLU A 1 86 ? 0.569 12.619 14.495 1.00 48.96 86 A 1 ATOM 658 O OE1 . GLU A 1 86 ? 0.962 13.781 14.265 1.00 44.67 86 A 1 ATOM 659 O OE2 . GLU A 1 86 ? -0.065 11.959 13.655 1.00 44.57 86 A 1 ATOM 660 N N . CYS A 1 87 ? -1.098 8.778 18.472 1.00 77.84 87 A 1 ATOM 661 C CA . CYS A 1 87 ? -1.866 7.575 18.727 1.00 79.60 87 A 1 ATOM 662 C C . CYS A 1 87 ? -2.524 7.061 17.441 1.00 83.18 87 A 1 ATOM 663 O O . CYS A 1 87 ? -2.849 7.818 16.527 1.00 80.85 87 A 1 ATOM 664 C CB . CYS A 1 87 ? -2.867 7.822 19.869 1.00 73.98 87 A 1 ATOM 665 S SG . CYS A 1 87 ? -4.261 8.863 19.342 1.00 64.63 87 A 1 ATOM 666 N N . PHE A 1 88 ? -2.797 5.753 17.377 1.00 84.18 88 A 1 ATOM 667 C CA . PHE A 1 88 ? -3.417 5.096 16.229 1.00 85.97 88 A 1 ATOM 668 C C . PHE A 1 88 ? -4.708 5.781 15.761 1.00 86.92 88 A 1 ATOM 669 O O . PHE A 1 88 ? -4.941 5.908 14.564 1.00 86.88 88 A 1 ATOM 670 C CB . PHE A 1 88 ? -3.689 3.637 16.603 1.00 85.69 88 A 1 ATOM 671 C CG . PHE A 1 88 ? -4.384 2.856 15.508 1.00 86.56 88 A 1 ATOM 672 C CD1 . PHE A 1 88 ? -5.777 2.730 15.503 1.00 86.05 88 A 1 ATOM 673 C CD2 . PHE A 1 88 ? -3.627 2.278 14.477 1.00 85.82 88 A 1 ATOM 674 C CE1 . PHE A 1 88 ? -6.426 2.030 14.477 1.00 85.22 88 A 1 ATOM 675 C CE2 . PHE A 1 88 ? -4.269 1.571 13.449 1.00 84.84 88 A 1 ATOM 676 C CZ . PHE A 1 88 ? -5.668 1.449 13.440 1.00 84.76 88 A 1 ATOM 677 N N . ALA A 1 89 ? -5.534 6.250 16.691 1.00 87.01 89 A 1 ATOM 678 C CA . ALA A 1 89 ? -6.769 6.954 16.372 1.00 87.70 89 A 1 ATOM 679 C C . ALA A 1 89 ? -6.493 8.286 15.673 1.00 88.26 89 A 1 ATOM 680 O O . ALA A 1 89 ? -7.044 8.531 14.604 1.00 87.69 89 A 1 ATOM 681 C CB . ALA A 1 89 ? -7.583 7.134 17.659 1.00 87.32 89 A 1 ATOM 682 N N . CYS A 1 90 ? -5.580 9.110 16.206 1.00 87.99 90 A 1 ATOM 683 C CA . CYS A 1 90 ? -5.209 10.383 15.596 1.00 87.39 90 A 1 ATOM 684 C C . CYS A 1 90 ? -4.619 10.195 14.198 1.00 88.11 90 A 1 ATOM 685 O O . CYS A 1 90 ? -4.982 10.909 13.272 1.00 86.85 90 A 1 ATOM 686 C CB . CYS A 1 90 ? -4.199 11.121 16.486 1.00 84.47 90 A 1 ATOM 687 S SG . CYS A 1 90 ? -4.950 11.634 18.047 1.00 74.65 90 A 1 ATOM 688 N N . VAL A 1 91 ? -3.743 9.205 14.024 1.00 86.40 91 A 1 ATOM 689 C CA . VAL A 1 91 ? -3.185 8.868 12.713 1.00 86.28 91 A 1 ATOM 690 C C . VAL A 1 91 ? -4.288 8.463 11.742 1.00 88.36 91 A 1 ATOM 691 O O . VAL A 1 91 ? -4.301 8.932 10.601 1.00 88.63 91 A 1 ATOM 692 C CB . VAL A 1 91 ? -2.151 7.740 12.865 1.00 84.02 91 A 1 ATOM 693 C CG1 . VAL A 1 91 ? -1.694 7.190 11.519 1.00 80.22 91 A 1 ATOM 694 C CG2 . VAL A 1 91 ? -0.908 8.247 13.615 1.00 80.24 91 A 1 ATOM 695 N N . THR A 1 92 ? -5.223 7.630 12.165 1.00 88.92 92 A 1 ATOM 696 C CA . THR A 1 92 ? -6.331 7.156 11.334 1.00 90.54 92 A 1 ATOM 697 C C . THR A 1 92 ? -7.241 8.307 10.903 1.00 91.30 92 A 1 ATOM 698 O O . THR A 1 92 ? -7.584 8.392 9.723 1.00 91.44 92 A 1 ATOM 699 C CB . THR A 1 92 ? -7.143 6.078 12.061 1.00 90.59 92 A 1 ATOM 700 O OG1 . THR A 1 92 ? -6.300 4.991 12.395 1.00 88.86 92 A 1 ATOM 701 C CG2 . THR A 1 92 ? -8.262 5.507 11.198 1.00 88.80 92 A 1 ATOM 702 N N . GLU A 1 93 ? -7.568 9.217 11.806 1.00 90.49 93 A 1 ATOM 703 C CA . GLU A 1 93 ? -8.355 10.412 11.493 1.00 90.44 93 A 1 ATOM 704 C C . GLU A 1 93 ? -7.632 11.305 10.479 1.00 90.91 93 A 1 ATOM 705 O O . GLU A 1 93 ? -8.212 11.646 9.449 1.00 90.72 93 A 1 ATOM 706 C CB . GLU A 1 93 ? -8.676 11.203 12.770 1.00 90.55 93 A 1 ATOM 707 C CG . GLU A 1 93 ? -9.749 10.542 13.649 1.00 85.01 93 A 1 ATOM 708 C CD . GLU A 1 93 ? -11.069 10.286 12.895 1.00 77.63 93 A 1 ATOM 709 O OE1 . GLU A 1 93 ? -11.610 9.177 13.044 1.00 71.82 93 A 1 ATOM 710 O OE2 . GLU A 1 93 ? -11.511 11.173 12.137 1.00 72.37 93 A 1 ATOM 711 N N . ARG A 1 94 ? -6.344 11.587 10.683 1.00 89.83 94 A 1 ATOM 712 C CA . ARG A 1 94 ? -5.538 12.392 9.755 1.00 88.70 94 A 1 ATOM 713 C C . ARG A 1 94 ? -5.470 11.794 8.351 1.00 90.29 94 A 1 ATOM 714 O O . ARG A 1 94 ? -5.540 12.528 7.367 1.00 90.06 94 A 1 ATOM 715 C CB . ARG A 1 94 ? -4.109 12.533 10.302 1.00 85.98 94 A 1 ATOM 716 C CG . ARG A 1 94 ? -4.048 13.468 11.513 1.00 77.78 94 A 1 ATOM 717 C CD . ARG A 1 94 ? -2.628 13.515 12.068 1.00 72.37 94 A 1 ATOM 718 N NE . ARG A 1 94 ? -1.709 14.139 11.103 1.00 65.74 94 A 1 ATOM 719 C CZ . ARG A 1 94 ? -0.410 14.255 11.228 1.00 60.79 94 A 1 ATOM 720 N NH1 . ARG A 1 94 ? 0.221 13.840 12.278 1.00 56.38 94 A 1 ATOM 721 N NH2 . ARG A 1 94 ? 0.306 14.800 10.290 1.00 55.43 94 A 1 ATOM 722 N N . VAL A 1 95 ? -5.322 10.485 8.240 1.00 89.31 95 A 1 ATOM 723 C CA . VAL A 1 95 ? -5.353 9.796 6.943 1.00 90.34 95 A 1 ATOM 724 C C . VAL A 1 95 ? -6.742 9.916 6.317 1.00 91.91 95 A 1 ATOM 725 O O . VAL A 1 95 ? -6.845 10.158 5.124 1.00 92.60 95 A 1 ATOM 726 C CB . VAL A 1 95 ? -4.911 8.330 7.080 1.00 90.09 95 A 1 ATOM 727 C CG1 . VAL A 1 95 ? -5.035 7.577 5.753 1.00 89.26 95 A 1 ATOM 728 C CG2 . VAL A 1 95 ? -3.447 8.226 7.528 1.00 89.64 95 A 1 ATOM 729 N N . GLY A 1 96 ? -7.797 9.788 7.099 1.00 92.81 96 A 1 ATOM 730 C CA . GLY A 1 96 ? -9.166 9.991 6.649 1.00 93.87 96 A 1 ATOM 731 C C . GLY A 1 96 ? -9.405 11.400 6.108 1.00 94.17 96 A 1 ATOM 732 O O . GLY A 1 96 ? -9.932 11.547 5.007 1.00 94.25 96 A 1 ATOM 733 N N . ASP A 1 97 ? -8.939 12.413 6.828 1.00 92.90 97 A 1 ATOM 734 C CA . ASP A 1 97 ? -9.025 13.814 6.427 1.00 92.82 97 A 1 ATOM 735 C C . ASP A 1 97 ? -8.323 14.050 5.087 1.00 92.86 97 A 1 ATOM 736 O O . ASP A 1 97 ? -8.912 14.628 4.170 1.00 92.36 97 A 1 ATOM 737 C CB . ASP A 1 97 ? -8.408 14.708 7.509 1.00 92.46 97 A 1 ATOM 738 C CG . ASP A 1 97 ? -9.188 14.717 8.829 1.00 92.27 97 A 1 ATOM 739 O OD1 . ASP A 1 97 ? -10.383 14.328 8.822 1.00 90.85 97 A 1 ATOM 740 O OD2 . ASP A 1 97 ? -8.595 15.123 9.847 1.00 90.90 97 A 1 ATOM 741 N N . PHE A 1 98 ? -7.107 13.511 4.919 1.00 91.15 98 A 1 ATOM 742 C CA . PHE A 1 98 ? -6.372 13.590 3.667 1.00 90.77 98 A 1 ATOM 743 C C . PHE A 1 98 ? -7.112 12.921 2.501 1.00 91.79 98 A 1 ATOM 744 O O . PHE A 1 98 ? -7.168 13.469 1.401 1.00 91.73 98 A 1 ATOM 745 C CB . PHE A 1 98 ? -4.992 12.953 3.840 1.00 89.69 98 A 1 ATOM 746 C CG . PHE A 1 98 ? -4.208 12.889 2.554 1.00 88.49 98 A 1 ATOM 747 C CD1 . PHE A 1 98 ? -4.083 11.674 1.841 1.00 86.91 98 A 1 ATOM 748 C CD2 . PHE A 1 98 ? -3.675 14.072 2.000 1.00 86.59 98 A 1 ATOM 749 C CE1 . PHE A 1 98 ? -3.431 11.640 0.605 1.00 85.46 98 A 1 ATOM 750 C CE2 . PHE A 1 98 ? -3.022 14.044 0.753 1.00 84.77 98 A 1 ATOM 751 C CZ . PHE A 1 98 ? -2.902 12.825 0.061 1.00 84.52 98 A 1 ATOM 752 N N . VAL A 1 99 ? -7.686 11.741 2.709 1.00 92.83 99 A 1 ATOM 753 C CA . VAL A 1 99 ? -8.420 11.012 1.662 1.00 93.82 99 A 1 ATOM 754 C C . VAL A 1 99 ? -9.679 11.770 1.252 1.00 94.37 99 A 1 ATOM 755 O O . VAL A 1 99 ? -9.943 11.893 0.059 1.00 94.34 99 A 1 ATOM 756 C CB . VAL A 1 99 ? -8.739 9.579 2.113 1.00 94.48 99 A 1 ATOM 757 C CG1 . VAL A 1 99 ? -9.683 8.853 1.145 1.00 94.22 99 A 1 ATOM 758 C CG2 . VAL A 1 99 ? -7.454 8.747 2.191 1.00 94.43 99 A 1 ATOM 759 N N . ILE A 1 100 ? -10.442 12.302 2.209 1.00 94.37 100 A 1 ATOM 760 C CA . ILE A 1 100 ? -11.661 13.067 1.938 1.00 94.90 100 A 1 ATOM 761 C C . ILE A 1 100 ? -11.339 14.327 1.141 1.00 94.59 100 A 1 ATOM 762 O O . ILE A 1 100 ? -11.944 14.557 0.095 1.00 94.08 100 A 1 ATOM 763 C CB . ILE A 1 100 ? -12.402 13.382 3.261 1.00 95.52 100 A 1 ATOM 764 C CG1 . ILE A 1 100 ? -13.001 12.086 3.841 1.00 94.95 100 A 1 ATOM 765 C CG2 . ILE A 1 100 ? -13.514 14.426 3.044 1.00 95.34 100 A 1 ATOM 766 C CD1 . ILE A 1 100 ? -13.418 12.214 5.314 1.00 92.87 100 A 1 ATOM 767 N N . GLU A 1 101 ? -10.357 15.108 1.590 1.00 93.46 101 A 1 ATOM 768 C CA . GLU A 1 101 ? -9.908 16.313 0.886 1.00 92.80 101 A 1 ATOM 769 C C . GLU A 1 101 ? -9.405 15.997 -0.521 1.00 92.91 101 A 1 ATOM 770 O O . GLU A 1 101 ? -9.797 16.642 -1.493 1.00 92.37 101 A 1 ATOM 771 C CB . GLU A 1 101 ? -8.843 17.013 1.734 1.00 91.14 101 A 1 ATOM 772 C CG . GLU A 1 101 ? -8.356 18.317 1.083 1.00 88.93 101 A 1 ATOM 773 C CD . GLU A 1 101 ? -7.457 19.157 1.999 1.00 89.70 101 A 1 ATOM 774 O OE1 . GLU A 1 101 ? -6.666 19.961 1.479 1.00 86.51 101 A 1 ATOM 775 O OE2 . GLU A 1 101 ? -7.566 19.045 3.231 1.00 86.99 101 A 1 ATOM 776 N N . SER A 1 102 ? -8.602 14.950 -0.681 1.00 92.32 102 A 1 ATOM 777 C CA . SER A 1 102 ? -8.103 14.512 -1.988 1.00 92.15 102 A 1 ATOM 778 C C . SER A 1 102 ? -9.229 14.110 -2.944 1.00 92.87 102 A 1 ATOM 779 O O . SER A 1 102 ? -9.113 14.305 -4.149 1.00 92.14 102 A 1 ATOM 780 C CB . SER A 1 102 ? -7.158 13.318 -1.836 1.00 91.15 102 A 1 ATOM 781 O OG . SER A 1 102 ? -6.020 13.655 -1.077 1.00 87.46 102 A 1 ATOM 782 N N . CYS A 1 103 ? -10.329 13.583 -2.429 1.00 93.61 103 A 1 ATOM 783 C CA . CYS A 1 103 ? -11.521 13.225 -3.201 1.00 94.26 103 A 1 ATOM 784 C C . CYS A 1 103 ? -12.444 14.424 -3.512 1.00 94.44 103 A 1 ATOM 785 O O . CYS A 1 103 ? -13.522 14.226 -4.071 1.00 93.51 103 A 1 ATOM 786 C CB . CYS A 1 103 ? -12.272 12.098 -2.482 1.00 94.76 103 A 1 ATOM 787 S SG . CYS A 1 103 ? -11.305 10.551 -2.495 1.00 93.95 103 A 1 ATOM 788 N N . GLY A 1 104 ? -12.026 15.641 -3.185 1.00 93.52 104 A 1 ATOM 789 C CA . GLY A 1 104 ? -12.794 16.872 -3.420 1.00 93.73 104 A 1 ATOM 790 C C . GLY A 1 104 ? -13.790 17.204 -2.314 1.00 94.65 104 A 1 ATOM 791 O O . GLY A 1 104 ? -14.730 17.967 -2.551 1.00 93.40 104 A 1 ATOM 792 N N . GLY A 1 105 ? -13.617 16.616 -1.133 1.00 94.11 105 A 1 ATOM 793 C CA . GLY A 1 105 ? -14.389 16.947 0.055 1.00 94.32 105 A 1 ATOM 794 C C . GLY A 1 105 ? -13.885 18.205 0.771 1.00 94.78 105 A 1 ATOM 795 O O . GLY A 1 105 ? -13.030 18.916 0.256 1.00 93.94 105 A 1 ATOM 796 N N . PRO A 1 106 ? -14.406 18.476 1.975 1.00 94.43 106 A 1 ATOM 797 C CA . PRO A 1 106 ? -13.939 19.570 2.813 1.00 94.28 106 A 1 ATOM 798 C C . PRO A 1 106 ? -12.438 19.501 3.093 1.00 93.56 106 A 1 ATOM 799 O O . PRO A 1 106 ? -11.854 18.416 3.158 1.00 92.36 106 A 1 ATOM 800 C CB . PRO A 1 106 ? -14.761 19.467 4.111 1.00 93.90 106 A 1 ATOM 801 C CG . PRO A 1 106 ? -16.029 18.748 3.678 1.00 93.83 106 A 1 ATOM 802 C CD . PRO A 1 106 ? -15.524 17.781 2.610 1.00 94.94 106 A 1 ATOM 803 N N . LEU A 1 107 ? -11.818 20.661 3.312 1.00 92.89 107 A 1 ATOM 804 C CA . LEU A 1 107 ? -10.370 20.815 3.502 1.00 91.92 107 A 1 ATOM 805 C C . LEU A 1 107 ? -9.912 20.396 4.910 1.00 91.41 107 A 1 ATOM 806 O O . LEU A 1 107 ? -9.179 21.134 5.577 1.00 89.51 107 A 1 ATOM 807 C CB . LEU A 1 107 ? -9.953 22.266 3.168 1.00 90.63 107 A 1 ATOM 808 C CG . LEU A 1 107 ? -10.259 22.739 1.740 1.00 87.58 107 A 1 ATOM 809 C CD1 . LEU A 1 107 ? -9.816 24.202 1.594 1.00 83.16 107 A 1 ATOM 810 C CD2 . LEU A 1 107 ? -9.540 21.917 0.678 1.00 82.89 107 A 1 ATOM 811 N N . TYR A 1 108 ? -10.349 19.223 5.377 1.00 91.26 108 A 1 ATOM 812 C CA . TYR A 1 108 ? -10.040 18.744 6.717 1.00 90.72 108 A 1 ATOM 813 C C . TYR A 1 108 ? -8.540 18.620 6.942 1.00 89.33 108 A 1 ATOM 814 O O . TYR A 1 108 ? -8.016 19.089 7.955 1.00 86.92 108 A 1 ATOM 815 C CB . TYR A 1 108 ? -10.711 17.380 6.962 1.00 91.58 108 A 1 ATOM 816 C CG . TYR A 1 108 ? -12.221 17.365 6.906 1.00 93.21 108 A 1 ATOM 817 C CD1 . TYR A 1 108 ? -12.978 18.338 7.592 1.00 91.56 108 A 1 ATOM 818 C CD2 . TYR A 1 108 ? -12.887 16.345 6.203 1.00 92.16 108 A 1 ATOM 819 C CE1 . TYR A 1 108 ? -14.380 18.299 7.574 1.00 91.87 108 A 1 ATOM 820 C CE2 . TYR A 1 108 ? -14.285 16.299 6.180 1.00 92.30 108 A 1 ATOM 821 C CZ . TYR A 1 108 ? -15.035 17.279 6.863 1.00 93.24 108 A 1 ATOM 822 O OH . TYR A 1 108 ? -16.406 17.238 6.846 1.00 92.44 108 A 1 ATOM 823 N N . TRP A 1 109 ? -7.810 18.061 5.974 1.00 89.90 109 A 1 ATOM 824 C CA . TRP A 1 109 ? -6.359 17.927 6.065 1.00 87.81 109 A 1 ATOM 825 C C . TRP A 1 109 ? -5.679 19.285 6.167 1.00 87.12 109 A 1 ATOM 826 O O . TRP A 1 109 ? -4.895 19.508 7.088 1.00 83.61 109 A 1 ATOM 827 C CB . TRP A 1 109 ? -5.831 17.140 4.866 1.00 85.18 109 A 1 ATOM 828 C CG . TRP A 1 109 ? -4.347 17.023 4.844 1.00 83.48 109 A 1 ATOM 829 C CD1 . TRP A 1 109 ? -3.494 17.869 4.221 1.00 75.21 109 A 1 ATOM 830 C CD2 . TRP A 1 109 ? -3.511 16.038 5.518 1.00 79.00 109 A 1 ATOM 831 N NE1 . TRP A 1 109 ? -2.183 17.470 4.460 1.00 74.35 109 A 1 ATOM 832 C CE2 . TRP A 1 109 ? -2.157 16.352 5.254 1.00 76.79 109 A 1 ATOM 833 C CE3 . TRP A 1 109 ? -3.783 14.908 6.323 1.00 71.90 109 A 1 ATOM 834 C CZ2 . TRP A 1 109 ? -1.092 15.583 5.778 1.00 73.58 109 A 1 ATOM 835 C CZ3 . TRP A 1 109 ? -2.724 14.142 6.836 1.00 67.29 109 A 1 ATOM 836 C CH2 . TRP A 1 109 ? -1.394 14.479 6.569 1.00 69.23 109 A 1 ATOM 837 N N . SER A 1 110 ? -5.984 20.203 5.254 1.00 87.15 110 A 1 ATOM 838 C CA . SER A 1 110 ? -5.363 21.525 5.215 1.00 86.08 110 A 1 ATOM 839 C C . SER A 1 110 ? -5.720 22.395 6.424 1.00 85.15 110 A 1 ATOM 840 O O . SER A 1 110 ? -4.933 23.260 6.804 1.00 82.75 110 A 1 ATOM 841 C CB . SER A 1 110 ? -5.775 22.247 3.930 1.00 84.74 110 A 1 ATOM 842 O OG . SER A 1 110 ? -5.247 21.554 2.812 1.00 79.91 110 A 1 ATOM 843 N N . GLN A 1 111 ? -6.879 22.176 7.049 1.00 86.33 111 A 1 ATOM 844 C CA . GLN A 1 111 ? -7.282 22.874 8.271 1.00 83.83 111 A 1 ATOM 845 C C . GLN A 1 111 ? -6.520 22.364 9.503 1.00 81.77 111 A 1 ATOM 846 O O . GLN A 1 111 ? -6.159 23.157 10.370 1.00 77.35 111 A 1 ATOM 847 C CB . GLN A 1 111 ? -8.790 22.701 8.488 1.00 82.57 111 A 1 ATOM 848 C CG . GLN A 1 111 ? -9.609 23.543 7.502 1.00 76.54 111 A 1 ATOM 849 C CD . GLN A 1 111 ? -11.114 23.277 7.606 1.00 71.99 111 A 1 ATOM 850 O OE1 . GLN A 1 111 ? -11.597 22.529 8.433 1.00 65.51 111 A 1 ATOM 851 N NE2 . GLN A 1 111 ? -11.905 23.894 6.763 1.00 63.31 111 A 1 ATOM 852 N N . HIS A 1 112 ? -6.261 21.061 9.579 1.00 79.61 112 A 1 ATOM 853 C CA . HIS A 1 112 ? -5.569 20.450 10.715 1.00 76.08 112 A 1 ATOM 854 C C . HIS A 1 112 ? -4.049 20.415 10.547 1.00 73.64 112 A 1 ATOM 855 O O . HIS A 1 112 ? -3.302 20.357 11.539 1.00 67.18 112 A 1 ATOM 856 C CB . HIS A 1 112 ? -6.144 19.052 10.950 1.00 73.11 112 A 1 ATOM 857 C CG . HIS A 1 112 ? -7.572 19.089 11.428 1.00 68.28 112 A 1 ATOM 858 N ND1 . HIS A 1 112 ? -7.999 19.672 12.600 1.00 60.05 112 A 1 ATOM 859 C CD2 . HIS A 1 112 ? -8.683 18.598 10.807 1.00 59.58 112 A 1 ATOM 860 C CE1 . HIS A 1 112 ? -9.344 19.541 12.668 1.00 58.70 112 A 1 ATOM 861 N NE2 . HIS A 1 112 ? -9.783 18.887 11.600 1.00 58.34 112 A 1 ATOM 862 N N . HIS A 1 113 ? -3.558 20.472 9.325 1.00 71.34 113 A 1 ATOM 863 C CA . HIS A 1 113 ? -2.153 20.349 8.979 1.00 67.49 113 A 1 ATOM 864 C C . HIS A 1 113 ? -1.725 21.580 8.193 1.00 66.48 113 A 1 ATOM 865 O O . HIS A 1 113 ? -2.329 21.916 7.184 1.00 61.26 113 A 1 ATOM 866 C CB . HIS A 1 113 ? -1.911 19.053 8.195 1.00 63.39 113 A 1 ATOM 867 C CG . HIS A 1 113 ? -2.453 17.849 8.912 1.00 60.60 113 A 1 ATOM 868 N ND1 . HIS A 1 113 ? -3.721 17.338 8.796 1.00 53.73 113 A 1 ATOM 869 C CD2 . HIS A 1 113 ? -1.848 17.183 9.938 1.00 53.06 113 A 1 ATOM 870 C CE1 . HIS A 1 113 ? -3.894 16.406 9.741 1.00 52.73 113 A 1 ATOM 871 N NE2 . HIS A 1 113 ? -2.766 16.273 10.452 1.00 52.18 113 A 1 ATOM 872 N N . SER A 1 114 ? -0.661 22.246 8.624 1.00 59.25 114 A 1 ATOM 873 C CA . SER A 1 114 ? -0.144 23.417 7.921 1.00 57.33 114 A 1 ATOM 874 C C . SER A 1 114 ? 0.028 23.114 6.427 1.00 57.59 114 A 1 ATOM 875 O O . SER A 1 114 ? 0.736 22.164 6.098 1.00 52.87 114 A 1 ATOM 876 C CB . SER A 1 114 ? 1.200 23.855 8.497 1.00 50.98 114 A 1 ATOM 877 O OG . SER A 1 114 ? 1.064 24.200 9.858 1.00 46.08 114 A 1 ATOM 878 N N . PRO A 1 115 ? -0.544 23.926 5.519 1.00 52.47 115 A 1 ATOM 879 C CA . PRO A 1 115 ? -0.614 23.628 4.093 1.00 51.32 115 A 1 ATOM 880 C C . PRO A 1 115 ? 0.759 23.434 3.453 1.00 52.38 115 A 1 ATOM 881 O O . PRO A 1 115 ? 0.911 22.667 2.508 1.00 49.49 115 A 1 ATOM 882 C CB . PRO A 1 115 ? -1.382 24.792 3.470 1.00 47.83 115 A 1 ATOM 883 C CG . PRO A 1 115 ? -1.282 25.922 4.500 1.00 46.70 115 A 1 ATOM 884 C CD . PRO A 1 115 ? -1.223 25.169 5.818 1.00 49.20 115 A 1 ATOM 885 N N . HIS A 1 116 ? 1.781 24.063 4.001 1.00 49.66 116 A 1 ATOM 886 C CA . HIS A 1 116 ? 3.166 23.915 3.551 1.00 48.35 116 A 1 ATOM 887 C C . HIS A 1 116 ? 3.735 22.510 3.777 1.00 48.52 116 A 1 ATOM 888 O O . HIS A 1 116 ? 4.687 22.116 3.111 1.00 45.31 116 A 1 ATOM 889 C CB . HIS A 1 116 ? 4.041 24.943 4.265 1.00 44.49 116 A 1 ATOM 890 C CG . HIS A 1 116 ? 3.630 26.353 3.990 1.00 39.70 116 A 1 ATOM 891 N ND1 . HIS A 1 116 ? 3.613 26.960 2.755 1.00 35.83 116 A 1 ATOM 892 C CD2 . HIS A 1 116 ? 3.170 27.284 4.886 1.00 36.55 116 A 1 ATOM 893 C CE1 . HIS A 1 116 ? 3.156 28.211 2.900 1.00 34.20 116 A 1 ATOM 894 N NE2 . HIS A 1 116 ? 2.875 28.445 4.181 1.00 35.49 116 A 1 ATOM 895 N N . ARG A 1 117 ? 3.178 21.739 4.697 1.00 49.20 117 A 1 ATOM 896 C CA . ARG A 1 117 ? 3.514 20.342 4.907 1.00 48.68 117 A 1 ATOM 897 C C . ARG A 1 117 ? 2.603 19.486 4.027 1.00 49.47 117 A 1 ATOM 898 O O . ARG A 1 117 ? 1.755 18.760 4.531 1.00 46.14 117 A 1 ATOM 899 C CB . ARG A 1 117 ? 3.456 19.965 6.394 1.00 44.66 117 A 1 ATOM 900 C CG . ARG A 1 117 ? 4.507 20.687 7.235 1.00 40.21 117 A 1 ATOM 901 C CD . ARG A 1 117 ? 4.484 20.125 8.644 1.00 36.96 117 A 1 ATOM 902 N NE . ARG A 1 117 ? 5.405 20.848 9.536 1.00 35.64 117 A 1 ATOM 903 C CZ . ARG A 1 117 ? 5.658 20.539 10.810 1.00 32.05 117 A 1 ATOM 904 N NH1 . ARG A 1 117 ? 5.099 19.518 11.376 1.00 31.23 117 A 1 ATOM 905 N NH2 . ARG A 1 117 ? 6.476 21.274 11.493 1.00 29.58 117 A 1 ATOM 906 N N . GLY A 1 118 ? 2.793 19.584 2.705 1.00 48.70 118 A 1 ATOM 907 C CA . GLY A 1 118 ? 2.205 18.618 1.786 1.00 48.31 118 A 1 ATOM 908 C C . GLY A 1 118 ? 2.562 17.186 2.193 1.00 49.36 118 A 1 ATOM 909 O O . GLY A 1 118 ? 3.461 16.986 3.009 1.00 47.06 118 A 1 ATOM 910 N N . VAL A 1 119 ? 1.906 16.202 1.614 1.00 50.82 119 A 1 ATOM 911 C CA . VAL A 1 119 ? 2.193 14.771 1.848 1.00 50.08 119 A 1 ATOM 912 C C . VAL A 1 119 ? 3.548 14.405 1.229 1.00 50.58 119 A 1 ATOM 913 O O . VAL A 1 119 ? 3.664 13.653 0.259 1.00 47.44 119 A 1 ATOM 914 C CB . VAL A 1 119 ? 1.050 13.861 1.357 1.00 46.81 119 A 1 ATOM 915 C CG1 . VAL A 1 119 ? 1.233 12.407 1.825 1.00 43.38 119 A 1 ATOM 916 C CG2 . VAL A 1 119 ? -0.289 14.340 1.910 1.00 42.98 119 A 1 ATOM 917 N N . SER A 1 120 ? 4.594 15.020 1.741 1.00 48.09 120 A 1 ATOM 918 C CA . SER A 1 120 ? 5.971 14.687 1.468 1.00 48.33 120 A 1 ATOM 919 C C . SER A 1 120 ? 6.468 13.732 2.542 1.00 48.80 120 A 1 ATOM 920 O O . SER A 1 120 ? 5.916 13.647 3.642 1.00 46.31 120 A 1 ATOM 921 C CB . SER A 1 120 ? 6.820 15.959 1.361 1.00 45.07 120 A 1 ATOM 922 O OG . SER A 1 120 ? 6.860 16.656 2.580 1.00 41.29 120 A 1 ATOM 923 N N . ALA A 1 121 ? 7.501 12.982 2.205 1.00 46.43 121 A 1 ATOM 924 C CA . ALA A 1 121 ? 8.191 12.161 3.187 1.00 44.76 121 A 1 ATOM 925 C C . ALA A 1 121 ? 8.567 13.024 4.405 1.00 45.61 121 A 1 ATOM 926 O O . ALA A 1 121 ? 9.294 14.003 4.268 1.00 43.09 121 A 1 ATOM 927 C CB . ALA A 1 121 ? 9.405 11.533 2.498 1.00 41.01 121 A 1 ATOM 928 N N . GLY A 1 122 ? 8.035 12.693 5.576 1.00 46.27 122 A 1 ATOM 929 C CA . GLY A 1 122 ? 8.235 13.427 6.830 1.00 45.22 122 A 1 ATOM 930 C C . GLY A 1 122 ? 7.145 14.443 7.205 1.00 46.46 122 A 1 ATOM 931 O O . GLY A 1 122 ? 7.093 14.861 8.357 1.00 44.11 122 A 1 ATOM 932 N N . ALA A 1 123 ? 6.256 14.810 6.288 1.00 50.14 123 A 1 ATOM 933 C CA . ALA A 1 123 ? 5.214 15.802 6.563 1.00 49.56 123 A 1 ATOM 934 C C . ALA A 1 123 ? 3.950 15.190 7.194 1.00 51.43 123 A 1 ATOM 935 O O . ALA A 1 123 ? 2.840 15.336 6.691 1.00 48.38 123 A 1 ATOM 936 C CB . ALA A 1 123 ? 4.952 16.608 5.305 1.00 45.03 123 A 1 ATOM 937 N N . GLY A 1 124 ? 4.129 14.516 8.311 1.00 51.87 124 A 1 ATOM 938 C CA . GLY A 1 124 ? 3.036 14.020 9.149 1.00 51.72 124 A 1 ATOM 939 C C . GLY A 1 124 ? 2.316 12.783 8.623 1.00 54.68 124 A 1 ATOM 940 O O . GLY A 1 124 ? 1.354 12.351 9.258 1.00 52.17 124 A 1 ATOM 941 N N . TRP A 1 125 ? 2.758 12.178 7.502 1.00 62.04 125 A 1 ATOM 942 C CA . TRP A 1 125 ? 2.319 10.828 7.192 1.00 61.85 125 A 1 ATOM 943 C C . TRP A 1 125 ? 2.986 9.862 8.182 1.00 63.59 125 A 1 ATOM 944 O O . TRP A 1 125 ? 4.205 9.966 8.382 1.00 59.97 125 A 1 ATOM 945 C CB . TRP A 1 125 ? 2.612 10.448 5.745 1.00 57.88 125 A 1 ATOM 946 C CG . TRP A 1 125 ? 1.760 9.299 5.293 1.00 56.27 125 A 1 ATOM 947 C CD1 . TRP A 1 125 ? 2.108 7.998 5.313 1.00 50.39 125 A 1 ATOM 948 C CD2 . TRP A 1 125 ? 0.375 9.348 4.812 1.00 51.85 125 A 1 ATOM 949 N NE1 . TRP A 1 125 ? 1.044 7.228 4.858 1.00 48.69 125 A 1 ATOM 950 C CE2 . TRP A 1 125 ? -0.026 8.024 4.528 1.00 49.68 125 A 1 ATOM 951 C CE3 . TRP A 1 125 ? -0.533 10.402 4.576 1.00 49.89 125 A 1 ATOM 952 C CZ2 . TRP A 1 125 ? -1.312 7.736 4.005 1.00 47.10 125 A 1 ATOM 953 C CZ3 . TRP A 1 125 ? -1.808 10.112 4.046 1.00 47.79 125 A 1 ATOM 954 C CH2 . TRP A 1 125 ? -2.194 8.801 3.766 1.00 47.47 125 A 1 ATOM 955 N N . PRO A 1 126 ? 2.226 8.964 8.812 1.00 60.24 126 A 1 ATOM 956 C CA . PRO A 1 126 ? 2.737 8.181 9.927 1.00 58.04 126 A 1 ATOM 957 C C . PRO A 1 126 ? 3.886 7.261 9.521 1.00 59.13 126 A 1 ATOM 958 O O . PRO A 1 126 ? 4.814 7.068 10.295 1.00 55.78 126 A 1 ATOM 959 C CB . PRO A 1 126 ? 1.537 7.394 10.451 1.00 53.54 126 A 1 ATOM 960 C CG . PRO A 1 126 ? 0.563 7.342 9.281 1.00 52.06 126 A 1 ATOM 961 C CD . PRO A 1 126 ? 0.815 8.686 8.596 1.00 54.42 126 A 1 ATOM 962 N N . VAL A 1 127 ? 3.834 6.716 8.321 1.00 63.65 127 A 1 ATOM 963 C CA . VAL A 1 127 ? 4.800 5.719 7.881 1.00 62.79 127 A 1 ATOM 964 C C . VAL A 1 127 ? 5.426 6.155 6.565 1.00 63.51 127 A 1 ATOM 965 O O . VAL A 1 127 ? 4.741 6.278 5.550 1.00 59.46 127 A 1 ATOM 966 C CB . VAL A 1 127 ? 4.170 4.324 7.787 1.00 58.34 127 A 1 ATOM 967 C CG1 . VAL A 1 127 ? 5.257 3.278 7.538 1.00 52.80 127 A 1 ATOM 968 C CG2 . VAL A 1 127 ? 3.445 3.936 9.081 1.00 53.40 127 A 1 ATOM 969 N N . LEU A 1 128 ? 6.743 6.364 6.583 1.00 66.80 128 A 1 ATOM 970 C CA . LEU A 1 128 ? 7.534 6.433 5.364 1.00 66.60 128 A 1 ATOM 971 C C . LEU A 1 128 ? 7.718 5.010 4.841 1.00 69.97 128 A 1 ATOM 972 O O . LEU A 1 128 ? 8.126 4.120 5.582 1.00 66.00 128 A 1 ATOM 973 C CB . LEU A 1 128 ? 8.877 7.108 5.631 1.00 58.93 128 A 1 ATOM 974 C CG . LEU A 1 128 ? 8.763 8.585 6.045 1.00 51.61 128 A 1 ATOM 975 C CD1 . LEU A 1 128 ? 10.152 9.167 6.264 1.00 47.14 128 A 1 ATOM 976 C CD2 . LEU A 1 128 ? 8.024 9.412 4.999 1.00 47.01 128 A 1 ATOM 977 N N . LEU A 1 129 ? 7.404 4.812 3.567 1.00 76.84 129 A 1 ATOM 978 C CA . LEU A 1 129 ? 7.470 3.504 2.960 1.00 79.21 129 A 1 ATOM 979 C C . LEU A 1 129 ? 8.848 3.299 2.334 1.00 81.25 129 A 1 ATOM 980 O O . LEU A 1 129 ? 9.333 4.139 1.587 1.00 80.46 129 A 1 ATOM 981 C CB . LEU A 1 129 ? 6.330 3.343 1.941 1.00 77.57 129 A 1 ATOM 982 C CG . LEU A 1 129 ? 4.918 3.593 2.496 1.00 77.50 129 A 1 ATOM 983 C CD1 . LEU A 1 129 ? 3.871 3.482 1.384 1.00 76.39 129 A 1 ATOM 984 C CD2 . LEU A 1 129 ? 4.539 2.598 3.593 1.00 77.58 129 A 1 ATOM 985 N N . ASP A 1 130 ? 9.459 2.156 2.595 1.00 81.80 130 A 1 ATOM 986 C CA . ASP A 1 130 ? 10.438 1.573 1.702 1.00 82.84 130 A 1 ATOM 987 C C . ASP A 1 130 ? 9.736 0.678 0.664 1.00 85.40 130 A 1 ATOM 988 O O . ASP A 1 130 ? 8.501 0.623 0.592 1.00 85.14 130 A 1 ATOM 989 C CB . ASP A 1 130 ? 11.530 0.852 2.517 1.00 79.75 130 A 1 ATOM 990 C CG . ASP A 1 130 ? 11.043 -0.363 3.308 1.00 76.47 130 A 1 ATOM 991 O OD1 . ASP A 1 130 ? 9.856 -0.732 3.188 1.00 71.41 130 A 1 ATOM 992 O OD2 . ASP A 1 130 ? 11.877 -0.963 4.016 1.00 72.33 130 A 1 ATOM 993 N N . GLU A 1 131 ? 10.486 -0.029 -0.177 1.00 83.38 131 A 1 ATOM 994 C CA . GLU A 1 131 ? 9.898 -0.923 -1.178 1.00 83.58 131 A 1 ATOM 995 C C . GLU A 1 131 ? 9.046 -2.026 -0.542 1.00 85.42 131 A 1 ATOM 996 O O . GLU A 1 131 ? 7.990 -2.385 -1.061 1.00 85.27 131 A 1 ATOM 997 C CB . GLU A 1 131 ? 11.001 -1.568 -2.031 1.00 81.93 131 A 1 ATOM 998 C CG . GLU A 1 131 ? 11.848 -0.577 -2.838 1.00 73.59 131 A 1 ATOM 999 C CD . GLU A 1 131 ? 13.093 -0.059 -2.103 1.00 65.83 131 A 1 ATOM 1000 O OE1 . GLU A 1 131 ? 14.018 0.384 -2.800 1.00 59.87 131 A 1 ATOM 1001 O OE2 . GLU A 1 131 ? 13.126 -0.104 -0.845 1.00 59.49 131 A 1 ATOM 1002 N N . ILE A 1 132 ? 9.493 -2.546 0.601 1.00 83.50 132 A 1 ATOM 1003 C CA . ILE A 1 132 ? 8.799 -3.598 1.334 1.00 83.49 132 A 1 ATOM 1004 C C . ILE A 1 132 ? 7.523 -3.057 1.962 1.00 85.24 132 A 1 ATOM 1005 O O . ILE A 1 132 ? 6.441 -3.634 1.804 1.00 85.60 132 A 1 ATOM 1006 C CB . ILE A 1 132 ? 9.751 -4.189 2.403 1.00 82.06 132 A 1 ATOM 1007 C CG1 . ILE A 1 132 ? 10.920 -4.918 1.709 1.00 77.53 132 A 1 ATOM 1008 C CG2 . ILE A 1 132 ? 8.980 -5.099 3.369 1.00 75.79 132 A 1 ATOM 1009 C CD1 . ILE A 1 132 ? 11.974 -5.501 2.663 1.00 70.74 132 A 1 ATOM 1010 N N . GLY A 1 133 ? 7.626 -1.928 2.657 1.00 86.27 133 A 1 ATOM 1011 C CA . GLY A 1 133 ? 6.507 -1.256 3.288 1.00 86.85 133 A 1 ATOM 1012 C C . GLY A 1 133 ? 5.436 -0.841 2.283 1.00 88.69 133 A 1 ATOM 1013 O O . GLY A 1 133 ? 4.250 -1.026 2.537 1.00 88.80 133 A 1 ATOM 1014 N N . ARG A 1 134 ? 5.839 -0.363 1.095 1.00 89.30 134 A 1 ATOM 1015 C CA . ARG A 1 134 ? 4.917 -0.034 0.008 1.00 90.51 134 A 1 ATOM 1016 C C . ARG A 1 134 ? 4.130 -1.251 -0.464 1.00 91.05 134 A 1 ATOM 1017 O O . ARG A 1 134 ? 2.926 -1.158 -0.652 1.00 91.31 134 A 1 ATOM 1018 C CB . ARG A 1 134 ? 5.695 0.609 -1.140 1.00 90.51 134 A 1 ATOM 1019 C CG . ARG A 1 134 ? 4.785 0.903 -2.336 1.00 89.98 134 A 1 ATOM 1020 C CD . ARG A 1 134 ? 5.509 1.661 -3.433 1.00 89.02 134 A 1 ATOM 1021 N NE . ARG A 1 134 ? 4.679 1.726 -4.638 1.00 88.49 134 A 1 ATOM 1022 C CZ . ARG A 1 134 ? 4.770 0.966 -5.714 1.00 89.45 134 A 1 ATOM 1023 N NH1 . ARG A 1 134 ? 5.691 0.058 -5.872 1.00 85.42 134 A 1 ATOM 1024 N NH2 . ARG A 1 134 ? 3.929 1.114 -6.683 1.00 85.62 134 A 1 ATOM 1025 N N . GLU A 1 135 ? 4.785 -2.388 -0.660 1.00 89.57 135 A 1 ATOM 1026 C CA . GLU A 1 135 ? 4.091 -3.612 -1.058 1.00 89.48 135 A 1 ATOM 1027 C C . GLU A 1 135 ? 3.107 -4.083 0.020 1.00 90.71 135 A 1 ATOM 1028 O O . GLU A 1 135 ? 1.980 -4.445 -0.307 1.00 90.71 135 A 1 ATOM 1029 C CB . GLU A 1 135 ? 5.095 -4.716 -1.412 1.00 87.90 135 A 1 ATOM 1030 C CG . GLU A 1 135 ? 5.813 -4.499 -2.753 1.00 82.82 135 A 1 ATOM 1031 C CD . GLU A 1 135 ? 6.729 -5.676 -3.164 1.00 77.73 135 A 1 ATOM 1032 O OE1 . GLU A 1 135 ? 7.365 -5.573 -4.236 1.00 73.14 135 A 1 ATOM 1033 O OE2 . GLU A 1 135 ? 6.776 -6.705 -2.463 1.00 71.91 135 A 1 ATOM 1034 N N . ILE A 1 136 ? 3.480 -4.009 1.302 1.00 88.94 136 A 1 ATOM 1035 C CA . ILE A 1 136 ? 2.573 -4.314 2.417 1.00 89.65 136 A 1 ATOM 1036 C C . ILE A 1 136 ? 1.368 -3.372 2.386 1.00 91.11 136 A 1 ATOM 1037 O O . ILE A 1 136 ? 0.222 -3.831 2.435 1.00 91.58 136 A 1 ATOM 1038 C CB . ILE A 1 136 ? 3.308 -4.244 3.777 1.00 88.53 136 A 1 ATOM 1039 C CG1 . ILE A 1 136 ? 4.350 -5.379 3.893 1.00 87.52 136 A 1 ATOM 1040 C CG2 . ILE A 1 136 ? 2.315 -4.331 4.946 1.00 87.75 136 A 1 ATOM 1041 C CD1 . ILE A 1 136 ? 5.318 -5.237 5.075 1.00 84.02 136 A 1 ATOM 1042 N N . TRP A 1 137 ? 1.612 -2.066 2.256 1.00 92.43 137 A 1 ATOM 1043 C CA . TRP A 1 137 ? 0.566 -1.041 2.216 1.00 93.39 137 A 1 ATOM 1044 C C . TRP A 1 137 ? -0.428 -1.298 1.080 1.00 94.06 137 A 1 ATOM 1045 O O . TRP A 1 137 ? -1.641 -1.298 1.312 1.00 94.37 137 A 1 ATOM 1046 C CB . TRP A 1 137 ? 1.248 0.323 2.093 1.00 93.48 137 A 1 ATOM 1047 C CG . TRP A 1 137 ? 0.342 1.505 2.207 1.00 93.37 137 A 1 ATOM 1048 C CD1 . TRP A 1 137 ? 0.119 2.224 3.335 1.00 92.61 137 A 1 ATOM 1049 C CD2 . TRP A 1 137 ? -0.464 2.137 1.167 1.00 93.29 137 A 1 ATOM 1050 N NE1 . TRP A 1 137 ? -0.758 3.250 3.071 1.00 92.15 137 A 1 ATOM 1051 C CE2 . TRP A 1 137 ? -1.149 3.238 1.758 1.00 92.82 137 A 1 ATOM 1052 C CE3 . TRP A 1 137 ? -0.672 1.890 -0.198 1.00 92.50 137 A 1 ATOM 1053 C CZ2 . TRP A 1 137 ? -2.019 4.067 1.015 1.00 91.83 137 A 1 ATOM 1054 C CZ3 . TRP A 1 137 ? -1.541 2.717 -0.946 1.00 91.71 137 A 1 ATOM 1055 C CH2 . TRP A 1 137 ? -2.210 3.786 -0.345 1.00 91.32 137 A 1 ATOM 1056 N N . LEU A 1 138 ? 0.067 -1.601 -0.128 1.00 94.13 138 A 1 ATOM 1057 C CA . LEU A 1 138 ? -0.768 -1.903 -1.286 1.00 94.40 138 A 1 ATOM 1058 C C . LEU A 1 138 ? -1.565 -3.200 -1.121 1.00 94.70 138 A 1 ATOM 1059 O O . LEU A 1 138 ? -2.760 -3.225 -1.402 1.00 94.91 138 A 1 ATOM 1060 C CB . LEU A 1 138 ? 0.114 -1.988 -2.542 1.00 94.48 138 A 1 ATOM 1061 C CG . LEU A 1 138 ? 0.615 -0.634 -3.076 1.00 93.71 138 A 1 ATOM 1062 C CD1 . LEU A 1 138 ? 1.580 -0.883 -4.232 1.00 93.48 138 A 1 ATOM 1063 C CD2 . LEU A 1 138 ? -0.513 0.252 -3.591 1.00 93.23 138 A 1 ATOM 1064 N N . VAL A 1 139 ? -0.943 -4.268 -0.636 1.00 93.05 139 A 1 ATOM 1065 C CA . VAL A 1 139 ? -1.637 -5.544 -0.385 1.00 92.97 139 A 1 ATOM 1066 C C . VAL A 1 139 ? -2.761 -5.359 0.631 1.00 93.95 139 A 1 ATOM 1067 O O . VAL A 1 139 ? -3.881 -5.823 0.416 1.00 94.18 139 A 1 ATOM 1068 C CB . VAL A 1 139 ? -0.643 -6.619 0.085 1.00 91.32 139 A 1 ATOM 1069 C CG1 . VAL A 1 139 ? -1.335 -7.876 0.632 1.00 86.46 139 A 1 ATOM 1070 C CG2 . VAL A 1 139 ? 0.248 -7.082 -1.067 1.00 86.38 139 A 1 ATOM 1071 N N . GLN A 1 140 ? -2.496 -4.645 1.725 1.00 92.85 140 A 1 ATOM 1072 C CA . GLN A 1 140 ? -3.500 -4.420 2.753 1.00 93.47 140 A 1 ATOM 1073 C C . GLN A 1 140 ? -4.619 -3.488 2.274 1.00 94.59 140 A 1 ATOM 1074 O O . GLN A 1 140 ? -5.769 -3.701 2.645 1.00 95.18 140 A 1 ATOM 1075 C CB . GLN A 1 140 ? -2.859 -3.897 4.044 1.00 92.98 140 A 1 ATOM 1076 C CG . GLN A 1 140 ? -1.892 -4.892 4.691 1.00 91.61 140 A 1 ATOM 1077 C CD . GLN A 1 140 ? -2.497 -6.265 4.986 1.00 90.76 140 A 1 ATOM 1078 O OE1 . GLN A 1 140 ? -3.686 -6.433 5.161 1.00 86.52 140 A 1 ATOM 1079 N NE2 . GLN A 1 140 ? -1.691 -7.288 5.031 1.00 83.42 140 A 1 ATOM 1080 N N . LEU A 1 141 ? -4.312 -2.519 1.396 1.00 95.83 141 A 1 ATOM 1081 C CA . LEU A 1 141 ? -5.332 -1.697 0.757 1.00 96.48 141 A 1 ATOM 1082 C C . LEU A 1 141 ? -6.246 -2.553 -0.121 1.00 96.74 141 A 1 ATOM 1083 O O . LEU A 1 141 ? -7.460 -2.470 0.023 1.00 96.87 141 A 1 ATOM 1084 C CB . LEU A 1 141 ? -4.676 -0.565 -0.048 1.00 96.80 141 A 1 ATOM 1085 C CG . LEU A 1 141 ? -5.689 0.327 -0.786 1.00 96.67 141 A 1 ATOM 1086 C CD1 . LEU A 1 141 ? -6.641 1.057 0.167 1.00 96.40 141 A 1 ATOM 1087 C CD2 . LEU A 1 141 ? -4.942 1.376 -1.603 1.00 96.15 141 A 1 ATOM 1088 N N . TRP A 1 142 ? -5.680 -3.407 -0.982 1.00 95.79 142 A 1 ATOM 1089 C CA . TRP A 1 142 ? -6.456 -4.280 -1.861 1.00 95.74 142 A 1 ATOM 1090 C C . TRP A 1 142 ? -7.477 -5.117 -1.085 1.00 95.74 142 A 1 ATOM 1091 O O . TRP A 1 142 ? -8.662 -5.108 -1.397 1.00 95.32 142 A 1 ATOM 1092 C CB . TRP A 1 142 ? -5.508 -5.187 -2.650 1.00 95.47 142 A 1 ATOM 1093 C CG . TRP A 1 142 ? -6.229 -6.022 -3.654 1.00 94.98 142 A 1 ATOM 1094 C CD1 . TRP A 1 142 ? -6.726 -7.274 -3.437 1.00 92.96 142 A 1 ATOM 1095 C CD2 . TRP A 1 142 ? -6.631 -5.651 -5.003 1.00 93.78 142 A 1 ATOM 1096 N NE1 . TRP A 1 142 ? -7.404 -7.705 -4.568 1.00 91.77 142 A 1 ATOM 1097 C CE2 . TRP A 1 142 ? -7.381 -6.736 -5.545 1.00 93.07 142 A 1 ATOM 1098 C CE3 . TRP A 1 142 ? -6.438 -4.510 -5.795 1.00 92.33 142 A 1 ATOM 1099 C CZ2 . TRP A 1 142 ? -7.948 -6.673 -6.835 1.00 91.75 142 A 1 ATOM 1100 C CZ3 . TRP A 1 142 ? -6.991 -4.456 -7.090 1.00 90.68 142 A 1 ATOM 1101 C CH2 . TRP A 1 142 ? -7.747 -5.526 -7.605 1.00 90.83 142 A 1 ATOM 1102 N N . HIS A 1 143 ? -7.041 -5.768 -0.013 1.00 94.92 143 A 1 ATOM 1103 C CA . HIS A 1 143 ? -7.936 -6.542 0.844 1.00 94.50 143 A 1 ATOM 1104 C C . HIS A 1 143 ? -8.918 -5.669 1.623 1.00 95.23 143 A 1 ATOM 1105 O O . HIS A 1 143 ? -10.029 -6.109 1.913 1.00 95.08 143 A 1 ATOM 1106 C CB . HIS A 1 143 ? -7.115 -7.404 1.796 1.00 93.30 143 A 1 ATOM 1107 C CG . HIS A 1 143 ? -6.384 -8.500 1.083 1.00 90.85 143 A 1 ATOM 1108 N ND1 . HIS A 1 143 ? -6.966 -9.484 0.294 1.00 84.02 143 A 1 ATOM 1109 C CD2 . HIS A 1 143 ? -5.029 -8.686 1.035 1.00 83.78 143 A 1 ATOM 1110 C CE1 . HIS A 1 143 ? -5.979 -10.221 -0.218 1.00 83.62 143 A 1 ATOM 1111 N NE2 . HIS A 1 143 ? -4.792 -9.776 0.218 1.00 84.35 143 A 1 ATOM 1112 N N . SER A 1 144 ? -8.560 -4.419 1.948 1.00 96.24 144 A 1 ATOM 1113 C CA . SER A 1 144 ? -9.487 -3.497 2.605 1.00 96.86 144 A 1 ATOM 1114 C C . SER A 1 144 ? -10.633 -3.089 1.682 1.00 97.26 144 A 1 ATOM 1115 O O . SER A 1 144 ? -11.755 -2.942 2.149 1.00 97.11 144 A 1 ATOM 1116 C CB . SER A 1 144 ? -8.758 -2.252 3.112 1.00 96.84 144 A 1 ATOM 1117 O OG . SER A 1 144 ? -7.747 -2.623 4.022 1.00 95.55 144 A 1 ATOM 1118 N N . LEU A 1 145 ? -10.365 -2.964 0.369 1.00 97.21 145 A 1 ATOM 1119 C CA . LEU A 1 145 ? -11.404 -2.727 -0.637 1.00 97.21 145 A 1 ATOM 1120 C C . LEU A 1 145 ? -12.392 -3.897 -0.695 1.00 96.86 145 A 1 ATOM 1121 O O . LEU A 1 145 ? -13.598 -3.669 -0.791 1.00 96.16 145 A 1 ATOM 1122 C CB . LEU A 1 145 ? -10.771 -2.500 -2.026 1.00 97.39 145 A 1 ATOM 1123 C CG . LEU A 1 145 ? -9.821 -1.294 -2.135 1.00 96.99 145 A 1 ATOM 1124 C CD1 . LEU A 1 145 ? -9.105 -1.313 -3.484 1.00 96.32 145 A 1 ATOM 1125 C CD2 . LEU A 1 145 ? -10.565 0.023 -2.001 1.00 95.99 145 A 1 ATOM 1126 N N . ASP A 1 146 ? -11.903 -5.142 -0.579 1.00 95.74 146 A 1 ATOM 1127 C CA . ASP A 1 146 ? -12.750 -6.329 -0.455 1.00 94.69 146 A 1 ATOM 1128 C C . ASP A 1 146 ? -13.588 -6.308 0.819 1.00 95.22 146 A 1 ATOM 1129 O O . ASP A 1 146 ? -14.802 -6.483 0.765 1.00 94.53 146 A 1 ATOM 1130 C CB . ASP A 1 146 ? -11.898 -7.613 -0.472 1.00 92.35 146 A 1 ATOM 1131 C CG . ASP A 1 146 ? -11.489 -8.074 -1.860 1.00 85.40 146 A 1 ATOM 1132 O OD1 . ASP A 1 146 ? -12.340 -7.962 -2.762 1.00 82.29 146 A 1 ATOM 1133 O OD2 . ASP A 1 146 ? -10.379 -8.614 -2.001 1.00 79.36 146 A 1 ATOM 1134 N N . ASP A 1 147 ? -12.950 -6.041 1.962 1.00 95.48 147 A 1 ATOM 1135 C CA . ASP A 1 147 ? -13.596 -6.092 3.276 1.00 95.56 147 A 1 ATOM 1136 C C . ASP A 1 147 ? -14.763 -5.104 3.418 1.00 96.18 147 A 1 ATOM 1137 O O . ASP A 1 147 ? -15.741 -5.399 4.108 1.00 95.60 147 A 1 ATOM 1138 C CB . ASP A 1 147 ? -12.586 -5.745 4.364 1.00 94.64 147 A 1 ATOM 1139 C CG . ASP A 1 147 ? -11.492 -6.759 4.594 1.00 93.67 147 A 1 ATOM 1140 O OD1 . ASP A 1 147 ? -11.683 -7.973 4.433 1.00 92.17 147 A 1 ATOM 1141 O OD2 . ASP A 1 147 ? -10.434 -6.314 5.101 1.00 91.68 147 A 1 ATOM 1142 N N . VAL A 1 148 ? -14.650 -3.926 2.782 1.00 97.21 148 A 1 ATOM 1143 C CA . VAL A 1 148 ? -15.725 -2.923 2.821 1.00 97.29 148 A 1 ATOM 1144 C C . VAL A 1 148 ? -16.759 -3.115 1.701 1.00 97.06 148 A 1 ATOM 1145 O O . VAL A 1 148 ? -17.756 -2.395 1.684 1.00 95.32 148 A 1 ATOM 1146 C CB . VAL A 1 148 ? -15.191 -1.479 2.869 1.00 97.00 148 A 1 ATOM 1147 C CG1 . VAL A 1 148 ? -14.235 -1.269 4.048 1.00 93.82 148 A 1 ATOM 1148 C CG2 . VAL A 1 148 ? -14.511 -1.045 1.571 1.00 94.64 148 A 1 ATOM 1149 N N . GLY A 1 149 ? -16.532 -4.072 0.803 1.00 95.91 149 A 1 ATOM 1150 C CA . GLY A 1 149 ? -17.473 -4.410 -0.264 1.00 95.46 149 A 1 ATOM 1151 C C . GLY A 1 149 ? -17.591 -3.346 -1.357 1.00 95.78 149 A 1 ATOM 1152 O O . GLY A 1 149 ? -18.674 -3.159 -1.907 1.00 93.36 149 A 1 ATOM 1153 N N . LEU A 1 150 ? -16.503 -2.627 -1.683 1.00 95.53 150 A 1 ATOM 1154 C CA . LEU A 1 150 ? -16.559 -1.653 -2.767 1.00 95.27 150 A 1 ATOM 1155 C C . LEU A 1 150 ? -16.869 -2.332 -4.106 1.00 95.11 150 A 1 ATOM 1156 O O . LEU A 1 150 ? -16.266 -3.351 -4.423 1.00 93.42 150 A 1 ATOM 1157 C CB . LEU A 1 150 ? -15.256 -0.836 -2.872 1.00 93.91 150 A 1 ATOM 1158 C CG . LEU A 1 150 ? -15.387 0.604 -2.357 1.00 90.80 150 A 1 ATOM 1159 C CD1 . LEU A 1 150 ? -15.469 0.646 -0.836 1.00 87.31 150 A 1 ATOM 1160 C CD2 . LEU A 1 150 ? -14.197 1.436 -2.808 1.00 86.76 150 A 1 ATOM 1161 N N . PRO A 1 151 ? -17.764 -1.750 -4.946 1.00 93.67 151 A 1 ATOM 1162 C CA . PRO A 1 151 ? -17.952 -2.190 -6.324 1.00 93.06 151 A 1 ATOM 1163 C C . PRO A 1 151 ? -16.661 -2.083 -7.141 1.00 93.97 151 A 1 ATOM 1164 O O . PRO A 1 151 ? -15.869 -1.167 -6.930 1.00 93.78 151 A 1 ATOM 1165 C CB . PRO A 1 151 ? -19.043 -1.274 -6.904 1.00 91.67 151 A 1 ATOM 1166 C CG . PRO A 1 151 ? -19.782 -0.760 -5.675 1.00 89.56 151 A 1 ATOM 1167 C CD . PRO A 1 151 ? -18.688 -0.677 -4.619 1.00 91.98 151 A 1 ATOM 1168 N N . ASP A 1 152 ? -16.479 -2.958 -8.144 1.00 93.04 152 A 1 ATOM 1169 C CA . ASP A 1 152 ? -15.257 -3.016 -8.957 1.00 93.02 152 A 1 ATOM 1170 C C . ASP A 1 152 ? -14.865 -1.673 -9.589 1.00 94.56 152 A 1 ATOM 1171 O O . ASP A 1 152 ? -13.689 -1.311 -9.624 1.00 94.25 152 A 1 ATOM 1172 C CB . ASP A 1 152 ? -15.427 -4.060 -10.079 1.00 90.55 152 A 1 ATOM 1173 C CG . ASP A 1 152 ? -15.102 -5.486 -9.643 1.00 82.04 152 A 1 ATOM 1174 O OD1 . ASP A 1 152 ? -14.756 -5.691 -8.463 1.00 76.16 152 A 1 ATOM 1175 O OD2 . ASP A 1 152 ? -15.133 -6.361 -10.536 1.00 74.55 152 A 1 ATOM 1176 N N . ALA A 1 153 ? -15.838 -0.898 -10.052 1.00 92.51 153 A 1 ATOM 1177 C CA . ALA A 1 153 ? -15.587 0.428 -10.611 1.00 93.37 153 A 1 ATOM 1178 C C . ALA A 1 153 ? -14.936 1.373 -9.591 1.00 94.84 153 A 1 ATOM 1179 O O . ALA A 1 153 ? -13.974 2.075 -9.917 1.00 94.33 153 A 1 ATOM 1180 C CB . ALA A 1 153 ? -16.911 0.990 -11.135 1.00 92.26 153 A 1 ATOM 1181 N N . LEU A 1 154 ? -15.396 1.358 -8.339 1.00 95.80 154 A 1 ATOM 1182 C CA . LEU A 1 154 ? -14.845 2.191 -7.266 1.00 96.45 154 A 1 ATOM 1183 C C . LEU A 1 154 ? -13.515 1.643 -6.751 1.00 97.08 154 A 1 ATOM 1184 O O . LEU A 1 154 ? -12.620 2.417 -6.422 1.00 96.83 154 A 1 ATOM 1185 C CB . LEU A 1 154 ? -15.860 2.327 -6.129 1.00 96.15 154 A 1 ATOM 1186 C CG . LEU A 1 154 ? -17.202 2.969 -6.505 1.00 94.71 154 A 1 ATOM 1187 C CD1 . LEU A 1 154 ? -18.048 3.144 -5.247 1.00 92.81 154 A 1 ATOM 1188 C CD2 . LEU A 1 154 ? -17.025 4.341 -7.164 1.00 92.53 154 A 1 ATOM 1189 N N . ARG A 1 155 ? -13.332 0.319 -6.754 1.00 96.71 155 A 1 ATOM 1190 C CA . ARG A 1 155 ? -12.037 -0.306 -6.455 1.00 96.93 155 A 1 ATOM 1191 C C . ARG A 1 155 ? -10.977 0.159 -7.436 1.00 97.31 155 A 1 ATOM 1192 O O . ARG A 1 155 ? -9.887 0.530 -7.028 1.00 97.27 155 A 1 ATOM 1193 C CB . ARG A 1 155 ? -12.145 -1.836 -6.526 1.00 96.13 155 A 1 ATOM 1194 C CG . ARG A 1 155 ? -13.075 -2.430 -5.478 1.00 89.83 155 A 1 ATOM 1195 C CD . ARG A 1 155 ? -13.381 -3.866 -5.873 1.00 86.95 155 A 1 ATOM 1196 N NE . ARG A 1 155 ? -14.256 -4.537 -4.908 1.00 81.23 155 A 1 ATOM 1197 C CZ . ARG A 1 155 ? -13.889 -5.542 -4.138 1.00 76.38 155 A 1 ATOM 1198 N NH1 . ARG A 1 155 ? -12.671 -5.993 -4.132 1.00 69.90 155 A 1 ATOM 1199 N NH2 . ARG A 1 155 ? -14.742 -6.113 -3.363 1.00 70.53 155 A 1 ATOM 1200 N N . ALA A 1 156 ? -11.314 0.172 -8.730 1.00 96.69 156 A 1 ATOM 1201 C CA . ALA A 1 156 ? -10.421 0.654 -9.768 1.00 96.82 156 A 1 ATOM 1202 C C . ALA A 1 156 ? -10.073 2.135 -9.585 1.00 97.07 156 A 1 ATOM 1203 O O . ALA A 1 156 ? -8.906 2.502 -9.743 1.00 96.88 156 A 1 ATOM 1204 C CB . ALA A 1 156 ? -11.060 0.393 -11.136 1.00 96.39 156 A 1 ATOM 1205 N N . ASP A 1 157 ? -11.033 2.967 -9.211 1.00 96.71 157 A 1 ATOM 1206 C CA . ASP A 1 157 ? -10.796 4.388 -8.950 1.00 96.70 157 A 1 ATOM 1207 C C . ASP A 1 157 ? -9.849 4.611 -7.771 1.00 96.84 157 A 1 ATOM 1208 O O . ASP A 1 157 ? -8.873 5.341 -7.904 1.00 96.59 157 A 1 ATOM 1209 C CB . ASP A 1 157 ? -12.108 5.102 -8.658 1.00 96.30 157 A 1 ATOM 1210 C CG . ASP A 1 157 ? -12.997 5.243 -9.870 1.00 94.47 157 A 1 ATOM 1211 O OD1 . ASP A 1 157 ? -12.529 5.161 -11.024 1.00 92.11 157 A 1 ATOM 1212 O OD2 . ASP A 1 157 ? -14.204 5.494 -9.649 1.00 91.77 157 A 1 ATOM 1213 N N . VAL A 1 158 ? -10.109 3.951 -6.643 1.00 97.28 158 A 1 ATOM 1214 C CA . VAL A 1 158 ? -9.234 4.038 -5.469 1.00 97.49 158 A 1 ATOM 1215 C C . VAL A 1 158 ? -7.833 3.557 -5.816 1.00 97.29 158 A 1 ATOM 1216 O O . VAL A 1 158 ? -6.858 4.240 -5.518 1.00 97.01 158 A 1 ATOM 1217 C CB . VAL A 1 158 ? -9.780 3.231 -4.274 1.00 97.39 158 A 1 ATOM 1218 C CG1 . VAL A 1 158 ? -8.790 3.216 -3.105 1.00 96.79 158 A 1 ATOM 1219 C CG2 . VAL A 1 158 ? -11.086 3.826 -3.754 1.00 96.93 158 A 1 ATOM 1220 N N . TRP A 1 159 ? -7.717 2.413 -6.497 1.00 97.83 159 A 1 ATOM 1221 C CA . TRP A 1 159 ? -6.418 1.820 -6.808 1.00 97.63 159 A 1 ATOM 1222 C C . TRP A 1 159 ? -5.603 2.675 -7.779 1.00 97.52 159 A 1 ATOM 1223 O O . TRP A 1 159 ? -4.409 2.876 -7.561 1.00 96.96 159 A 1 ATOM 1224 C CB . TRP A 1 159 ? -6.616 0.423 -7.361 1.00 97.30 159 A 1 ATOM 1225 C CG . TRP A 1 159 ? -5.346 -0.359 -7.384 1.00 97.20 159 A 1 ATOM 1226 C CD1 . TRP A 1 159 ? -4.492 -0.486 -8.432 1.00 96.41 159 A 1 ATOM 1227 C CD2 . TRP A 1 159 ? -4.748 -1.097 -6.278 1.00 97.12 159 A 1 ATOM 1228 N NE1 . TRP A 1 159 ? -3.412 -1.262 -8.055 1.00 96.21 159 A 1 ATOM 1229 C CE2 . TRP A 1 159 ? -3.530 -1.662 -6.742 1.00 96.68 159 A 1 ATOM 1230 C CE3 . TRP A 1 159 ? -5.131 -1.343 -4.946 1.00 96.64 159 A 1 ATOM 1231 C CZ2 . TRP A 1 159 ? -2.707 -2.458 -5.906 1.00 96.02 159 A 1 ATOM 1232 C CZ3 . TRP A 1 159 ? -4.317 -2.130 -4.117 1.00 96.08 159 A 1 ATOM 1233 C CH2 . TRP A 1 159 ? -3.121 -2.683 -4.588 1.00 95.88 159 A 1 ATOM 1234 N N . ARG A 1 160 ? -6.232 3.206 -8.832 1.00 96.42 160 A 1 ATOM 1235 C CA . ARG A 1 160 ? -5.569 4.062 -9.821 1.00 95.96 160 A 1 ATOM 1236 C C . ARG A 1 160 ? -5.071 5.383 -9.239 1.00 95.53 160 A 1 ATOM 1237 O O . ARG A 1 160 ? -4.173 5.992 -9.813 1.00 94.94 160 A 1 ATOM 1238 C CB . ARG A 1 160 ? -6.517 4.329 -11.005 1.00 95.68 160 A 1 ATOM 1239 C CG . ARG A 1 160 ? -6.681 3.088 -11.895 1.00 92.92 160 A 1 ATOM 1240 C CD . ARG A 1 160 ? -7.759 3.345 -12.948 1.00 90.29 160 A 1 ATOM 1241 N NE . ARG A 1 160 ? -8.039 2.146 -13.751 1.00 85.76 160 A 1 ATOM 1242 C CZ . ARG A 1 160 ? -9.209 1.782 -14.242 1.00 81.82 160 A 1 ATOM 1243 N NH1 . ARG A 1 160 ? -10.282 2.507 -14.087 1.00 74.74 160 A 1 ATOM 1244 N NH2 . ARG A 1 160 ? -9.328 0.644 -14.881 1.00 76.64 160 A 1 ATOM 1245 N N . TRP A 1 161 ? -5.621 5.829 -8.112 1.00 96.12 161 A 1 ATOM 1246 C CA . TRP A 1 161 ? -5.107 6.947 -7.333 1.00 95.79 161 A 1 ATOM 1247 C C . TRP A 1 161 ? -4.044 6.495 -6.315 1.00 95.69 161 A 1 ATOM 1248 O O . TRP A 1 161 ? -2.948 7.046 -6.273 1.00 95.03 161 A 1 ATOM 1249 C CB . TRP A 1 161 ? -6.286 7.638 -6.645 1.00 95.00 161 A 1 ATOM 1250 C CG . TRP A 1 161 ? -5.880 8.635 -5.615 1.00 93.74 161 A 1 ATOM 1251 C CD1 . TRP A 1 161 ? -5.155 9.751 -5.847 1.00 90.88 161 A 1 ATOM 1252 C CD2 . TRP A 1 161 ? -6.143 8.609 -4.177 1.00 92.08 161 A 1 ATOM 1253 N NE1 . TRP A 1 161 ? -4.949 10.428 -4.649 1.00 89.51 161 A 1 ATOM 1254 C CE2 . TRP A 1 161 ? -5.545 9.759 -3.603 1.00 90.88 161 A 1 ATOM 1255 C CE3 . TRP A 1 161 ? -6.833 7.722 -3.320 1.00 89.08 161 A 1 ATOM 1256 C CZ2 . TRP A 1 161 ? -5.629 10.042 -2.223 1.00 88.24 161 A 1 ATOM 1257 C CZ3 . TRP A 1 161 ? -6.921 8.008 -1.952 1.00 86.73 161 A 1 ATOM 1258 C CH2 . TRP A 1 161 ? -6.330 9.147 -1.412 1.00 86.94 161 A 1 ATOM 1259 N N . ALA A 1 162 ? -4.335 5.472 -5.534 1.00 95.88 162 A 1 ATOM 1260 C CA . ALA A 1 162 ? -3.487 5.062 -4.421 1.00 95.59 162 A 1 ATOM 1261 C C . ALA A 1 162 ? -2.175 4.398 -4.864 1.00 94.90 162 A 1 ATOM 1262 O O . ALA A 1 162 ? -1.149 4.566 -4.209 1.00 94.54 162 A 1 ATOM 1263 C CB . ALA A 1 162 ? -4.304 4.116 -3.532 1.00 95.79 162 A 1 ATOM 1264 N N . GLU A 1 163 ? -2.169 3.660 -5.975 1.00 95.58 163 A 1 ATOM 1265 C CA . GLU A 1 163 ? -0.958 3.010 -6.471 1.00 94.93 163 A 1 ATOM 1266 C C . GLU A 1 163 ? 0.103 4.042 -6.897 1.00 94.31 163 A 1 ATOM 1267 O O . GLU A 1 163 ? 1.226 3.949 -6.397 1.00 93.64 163 A 1 ATOM 1268 C CB . GLU A 1 163 ? -1.307 1.958 -7.531 1.00 94.61 163 A 1 ATOM 1269 C CG . GLU A 1 163 ? -0.112 1.091 -7.972 1.00 93.26 163 A 1 ATOM 1270 C CD . GLU A 1 163 ? 0.776 1.728 -9.052 1.00 92.96 163 A 1 ATOM 1271 O OE1 . GLU A 1 163 ? 1.911 1.245 -9.251 1.00 90.63 163 A 1 ATOM 1272 O OE2 . GLU A 1 163 ? 0.356 2.667 -9.746 1.00 90.86 163 A 1 ATOM 1273 N N . PRO A 1 164 ? -0.214 5.067 -7.713 1.00 93.94 164 A 1 ATOM 1274 C CA . PRO A 1 164 ? 0.705 6.183 -7.942 1.00 93.07 164 A 1 ATOM 1275 C C . PRO A 1 164 ? 1.073 6.940 -6.660 1.00 91.89 164 A 1 ATOM 1276 O O . PRO A 1 164 ? 2.252 7.220 -6.444 1.00 90.67 164 A 1 ATOM 1277 C CB . PRO A 1 164 ? 0.008 7.095 -8.952 1.00 92.56 164 A 1 ATOM 1278 C CG . PRO A 1 164 ? -0.950 6.164 -9.683 1.00 91.28 164 A 1 ATOM 1279 C CD . PRO A 1 164 ? -1.363 5.183 -8.595 1.00 94.05 164 A 1 ATOM 1280 N N . LEU A 1 165 ? 0.119 7.217 -5.776 1.00 92.51 165 A 1 ATOM 1281 C CA . LEU A 1 165 ? 0.371 7.894 -4.500 1.00 91.51 165 A 1 ATOM 1282 C C . LEU A 1 165 ? 1.407 7.145 -3.653 1.00 90.85 165 A 1 ATOM 1283 O O . LEU A 1 165 ? 2.314 7.766 -3.109 1.00 89.76 165 A 1 ATOM 1284 C CB . LEU A 1 165 ? -0.960 8.064 -3.745 1.00 90.99 165 A 1 ATOM 1285 C CG . LEU A 1 165 ? -0.825 8.709 -2.352 1.00 89.37 165 A 1 ATOM 1286 C CD1 . LEU A 1 165 ? -0.308 10.148 -2.430 1.00 86.96 165 A 1 ATOM 1287 C CD2 . LEU A 1 165 ? -2.182 8.715 -1.663 1.00 86.17 165 A 1 ATOM 1288 N N . SER A 1 166 ? 1.335 5.813 -3.618 1.00 91.99 166 A 1 ATOM 1289 C CA . SER A 1 166 ? 2.282 4.992 -2.863 1.00 91.77 166 A 1 ATOM 1290 C C . SER A 1 166 ? 3.747 5.186 -3.276 1.00 90.56 166 A 1 ATOM 1291 O O . SER A 1 166 ? 4.636 5.023 -2.457 1.00 89.39 166 A 1 ATOM 1292 C CB . SER A 1 166 ? 1.900 3.513 -2.956 1.00 92.35 166 A 1 ATOM 1293 O OG . SER A 1 166 ? 2.231 2.953 -4.215 1.00 92.14 166 A 1 ATOM 1294 N N . LEU A 1 167 ? 3.998 5.581 -4.531 1.00 90.42 167 A 1 ATOM 1295 C CA . LEU A 1 167 ? 5.345 5.918 -4.997 1.00 89.39 167 A 1 ATOM 1296 C C . LEU A 1 167 ? 5.832 7.234 -4.395 1.00 88.26 167 A 1 ATOM 1297 O O . LEU A 1 167 ? 7.017 7.383 -4.089 1.00 86.46 167 A 1 ATOM 1298 C CB . LEU A 1 167 ? 5.370 6.012 -6.530 1.00 88.42 167 A 1 ATOM 1299 C CG . LEU A 1 167 ? 4.973 4.729 -7.263 1.00 86.18 167 A 1 ATOM 1300 C CD1 . LEU A 1 167 ? 4.950 4.993 -8.767 1.00 84.19 167 A 1 ATOM 1301 C CD2 . LEU A 1 167 ? 5.981 3.618 -7.006 1.00 84.01 167 A 1 ATOM 1302 N N . HIS A 1 168 ? 4.927 8.185 -4.195 1.00 87.44 168 A 1 ATOM 1303 C CA . HIS A 1 168 ? 5.243 9.465 -3.568 1.00 85.98 168 A 1 ATOM 1304 C C . HIS A 1 168 ? 5.463 9.339 -2.057 1.00 84.72 168 A 1 ATOM 1305 O O . HIS A 1 168 ? 6.174 10.164 -1.481 1.00 82.42 168 A 1 ATOM 1306 C CB . HIS A 1 168 ? 4.155 10.489 -3.900 1.00 85.87 168 A 1 ATOM 1307 C CG . HIS A 1 168 ? 4.190 10.920 -5.334 1.00 84.65 168 A 1 ATOM 1308 N ND1 . HIS A 1 168 ? 4.764 12.089 -5.821 1.00 77.85 168 A 1 ATOM 1309 C CD2 . HIS A 1 168 ? 3.695 10.248 -6.418 1.00 78.41 168 A 1 ATOM 1310 C CE1 . HIS A 1 168 ? 4.603 12.108 -7.151 1.00 78.91 168 A 1 ATOM 1311 N NE2 . HIS A 1 168 ? 3.965 11.003 -7.548 1.00 80.58 168 A 1 ATOM 1312 N N . LEU A 1 169 ? 4.936 8.293 -1.445 1.00 86.86 169 A 1 ATOM 1313 C CA . LEU A 1 169 ? 5.151 7.967 -0.030 1.00 85.64 169 A 1 ATOM 1314 C C . LEU A 1 169 ? 6.471 7.230 0.234 1.00 84.83 169 A 1 ATOM 1315 O O . LEU A 1 169 ? 6.840 7.044 1.387 1.00 82.59 169 A 1 ATOM 1316 C CB . LEU A 1 169 ? 3.948 7.142 0.486 1.00 85.16 169 A 1 ATOM 1317 C CG . LEU A 1 169 ? 2.586 7.841 0.376 1.00 83.39 169 A 1 ATOM 1318 C CD1 . LEU A 1 169 ? 1.490 6.904 0.899 1.00 81.22 169 A 1 ATOM 1319 C CD2 . LEU A 1 169 ? 2.532 9.147 1.162 1.00 81.53 169 A 1 ATOM 1320 N N . LEU A 1 170 ? 7.188 6.823 -0.821 1.00 84.14 170 A 1 ATOM 1321 C CA . LEU A 1 170 ? 8.489 6.189 -0.673 1.00 84.01 170 A 1 ATOM 1322 C C . LEU A 1 170 ? 9.522 7.160 -0.104 1.00 83.19 170 A 1 ATOM 1323 O O . LEU A 1 170 ? 9.610 8.317 -0.520 1.00 82.16 170 A 1 ATOM 1324 C CB . LEU A 1 170 ? 8.991 5.632 -2.011 1.00 83.56 170 A 1 ATOM 1325 C CG . LEU A 1 170 ? 8.267 4.361 -2.485 1.00 80.98 170 A 1 ATOM 1326 C CD1 . LEU A 1 170 ? 8.713 4.057 -3.916 1.00 79.54 170 A 1 ATOM 1327 C CD2 . LEU A 1 170 ? 8.601 3.155 -1.616 1.00 79.94 170 A 1 ATOM 1328 N N . VAL A 1 171 ? 10.390 6.653 0.779 1.00 80.31 171 A 1 ATOM 1329 C CA . VAL A 1 171 ? 11.600 7.367 1.191 1.00 78.96 171 A 1 ATOM 1330 C C . VAL A 1 171 ? 12.477 7.674 -0.027 1.00 79.18 171 A 1 ATOM 1331 O O . VAL A 1 171 ? 12.531 6.881 -0.972 1.00 77.59 171 A 1 ATOM 1332 C CB . VAL A 1 171 ? 12.407 6.609 2.257 1.00 76.57 171 A 1 ATOM 1333 C CG1 . VAL A 1 171 ? 11.623 6.473 3.551 1.00 70.55 171 A 1 ATOM 1334 C CG2 . VAL A 1 171 ? 12.873 5.221 1.807 1.00 72.72 171 A 1 ATOM 1335 N N . PRO A 1 172 ? 13.231 8.796 -0.029 1.00 76.15 172 A 1 ATOM 1336 C CA . PRO A 1 172 ? 14.051 9.189 -1.179 1.00 74.19 172 A 1 ATOM 1337 C C . PRO A 1 172 ? 14.983 8.080 -1.682 1.00 75.45 172 A 1 ATOM 1338 O O . PRO A 1 172 ? 15.144 7.919 -2.885 1.00 72.88 172 A 1 ATOM 1339 C CB . PRO A 1 172 ? 14.837 10.410 -0.707 1.00 70.87 172 A 1 ATOM 1340 C CG . PRO A 1 172 ? 13.911 11.041 0.329 1.00 70.41 172 A 1 ATOM 1341 C CD . PRO A 1 172 ? 13.257 9.841 0.989 1.00 73.31 172 A 1 ATOM 1342 N N . ARG A 1 173 ? 15.548 7.297 -0.767 1.00 74.85 173 A 1 ATOM 1343 C CA . ARG A 1 173 ? 16.436 6.184 -1.113 1.00 74.40 173 A 1 ATOM 1344 C C . ARG A 1 173 ? 15.708 5.094 -1.906 1.00 75.75 173 A 1 ATOM 1345 O O . ARG A 1 173 ? 16.261 4.606 -2.880 1.00 73.50 173 A 1 ATOM 1346 C CB . ARG A 1 173 ? 17.062 5.622 0.172 1.00 71.90 173 A 1 ATOM 1347 C CG . ARG A 1 173 ? 18.104 4.546 -0.135 1.00 63.11 173 A 1 ATOM 1348 C CD . ARG A 1 173 ? 18.758 4.051 1.157 1.00 58.66 173 A 1 ATOM 1349 N NE . ARG A 1 173 ? 19.771 3.030 0.882 1.00 53.53 173 A 1 ATOM 1350 C CZ . ARG A 1 173 ? 20.549 2.446 1.777 1.00 46.82 173 A 1 ATOM 1351 N NH1 . ARG A 1 173 ? 20.470 2.730 3.051 1.00 44.71 173 A 1 ATOM 1352 N NH2 . ARG A 1 173 ? 21.415 1.559 1.401 1.00 43.04 173 A 1 ATOM 1353 N N . ALA A 1 174 ? 14.484 4.756 -1.544 1.00 77.77 174 A 1 ATOM 1354 C CA . ALA A 1 174 ? 13.693 3.734 -2.221 1.00 77.10 174 A 1 ATOM 1355 C C . ALA A 1 174 ? 13.246 4.172 -3.623 1.00 77.72 174 A 1 ATOM 1356 O O . ALA A 1 174 ? 13.132 3.358 -4.534 1.00 75.87 174 A 1 ATOM 1357 C CB . ALA A 1 174 ? 12.503 3.386 -1.328 1.00 75.36 174 A 1 ATOM 1358 N N . ARG A 1 175 ? 13.085 5.475 -3.854 1.00 76.67 175 A 1 ATOM 1359 C CA . ARG A 1 175 ? 12.756 6.022 -5.180 1.00 74.67 175 A 1 ATOM 1360 C C . ARG A 1 175 ? 13.886 5.875 -6.195 1.00 74.49 175 A 1 ATOM 1361 O O . ARG A 1 175 ? 13.631 5.968 -7.395 1.00 72.18 175 A 1 ATOM 1362 C CB . ARG A 1 175 ? 12.392 7.505 -5.067 1.00 71.84 175 A 1 ATOM 1363 C CG . ARG A 1 175 ? 11.157 7.756 -4.203 1.00 66.99 175 A 1 ATOM 1364 C CD . ARG A 1 175 ? 10.869 9.251 -4.151 1.00 65.47 175 A 1 ATOM 1365 N NE . ARG A 1 175 ? 9.785 9.559 -3.211 1.00 60.66 175 A 1 ATOM 1366 C CZ . ARG A 1 175 ? 9.362 10.756 -2.869 1.00 57.24 175 A 1 ATOM 1367 N NH1 . ARG A 1 175 ? 9.864 11.845 -3.378 1.00 54.06 175 A 1 ATOM 1368 N NH2 . ARG A 1 175 ? 8.418 10.874 -1.986 1.00 51.28 175 A 1 ATOM 1369 N N . GLN A 1 176 ? 15.117 5.713 -5.744 1.00 75.44 176 A 1 ATOM 1370 C CA . GLN A 1 176 ? 16.279 5.565 -6.623 1.00 73.84 176 A 1 ATOM 1371 C C . GLN A 1 176 ? 16.387 4.152 -7.201 1.00 73.63 176 A 1 ATOM 1372 O O . GLN A 1 176 ? 17.079 3.955 -8.203 1.00 69.49 176 A 1 ATOM 1373 C CB . GLN A 1 176 ? 17.564 5.914 -5.854 1.00 70.76 176 A 1 ATOM 1374 C CG . GLN A 1 176 ? 17.601 7.380 -5.429 1.00 64.29 176 A 1 ATOM 1375 C CD . GLN A 1 176 ? 18.850 7.727 -4.602 1.00 58.13 176 A 1 ATOM 1376 O OE1 . GLN A 1 176 ? 19.661 6.893 -4.245 1.00 53.35 176 A 1 ATOM 1377 N NE2 . GLN A 1 176 ? 19.028 8.972 -4.268 1.00 51.41 176 A 1 ATOM 1378 N N . THR A 1 177 ? 15.711 3.166 -6.596 1.00 71.66 177 A 1 ATOM 1379 C CA . THR A 1 177 ? 15.626 1.823 -7.147 1.00 69.42 177 A 1 ATOM 1380 C C . THR A 1 177 ? 14.480 1.752 -8.160 1.00 69.81 177 A 1 ATOM 1381 O O . THR A 1 177 ? 13.539 2.545 -8.124 1.00 63.18 177 A 1 ATOM 1382 C CB . THR A 1 177 ? 15.507 0.764 -6.035 1.00 64.50 177 A 1 ATOM 1383 O OG1 . THR A 1 177 ? 14.335 0.935 -5.296 1.00 57.99 177 A 1 ATOM 1384 C CG2 . THR A 1 177 ? 16.687 0.817 -5.062 1.00 56.57 177 A 1 ATOM 1385 N N . GLY A 1 178 ? 14.553 0.814 -9.104 1.00 72.34 178 A 1 ATOM 1386 C CA . GLY A 1 178 ? 13.470 0.623 -10.068 1.00 73.26 178 A 1 ATOM 1387 C C . GLY A 1 178 ? 12.192 0.200 -9.356 1.00 76.40 178 A 1 ATOM 1388 O O . GLY A 1 178 ? 12.076 -0.930 -8.892 1.00 72.79 178 A 1 ATOM 1389 N N . VAL A 1 179 ? 11.220 1.097 -9.277 1.00 81.26 179 A 1 ATOM 1390 C CA . VAL A 1 179 ? 10.000 0.866 -8.509 1.00 82.52 179 A 1 ATOM 1391 C C . VAL A 1 179 ? 8.972 0.111 -9.337 1.00 84.98 179 A 1 ATOM 1392 O O . VAL A 1 179 ? 8.666 0.476 -10.468 1.00 83.47 179 A 1 ATOM 1393 C CB . VAL A 1 179 ? 9.393 2.159 -7.945 1.00 79.22 179 A 1 ATOM 1394 C CG1 . VAL A 1 179 ? 8.469 1.786 -6.796 1.00 70.89 179 A 1 ATOM 1395 C CG2 . VAL A 1 179 ? 10.437 3.128 -7.392 1.00 72.64 179 A 1 ATOM 1396 N N . ARG A 1 180 ? 8.399 -0.943 -8.763 1.00 86.76 180 A 1 ATOM 1397 C CA . ARG A 1 180 ? 7.367 -1.719 -9.436 1.00 87.60 180 A 1 ATOM 1398 C C . ARG A 1 180 ? 6.048 -0.974 -9.497 1.00 89.51 180 A 1 ATOM 1399 O O . ARG A 1 180 ? 5.650 -0.278 -8.565 1.00 89.22 180 A 1 ATOM 1400 C CB . ARG A 1 180 ? 7.178 -3.084 -8.770 1.00 85.48 180 A 1 ATOM 1401 C CG . ARG A 1 180 ? 8.400 -3.977 -9.002 1.00 77.85 180 A 1 ATOM 1402 C CD . ARG A 1 180 ? 8.096 -5.371 -8.470 1.00 73.58 180 A 1 ATOM 1403 N NE . ARG A 1 180 ? 9.263 -6.256 -8.625 1.00 66.94 180 A 1 ATOM 1404 C CZ . ARG A 1 180 ? 9.634 -7.170 -7.767 1.00 59.78 180 A 1 ATOM 1405 N NH1 . ARG A 1 180 ? 8.918 -7.449 -6.705 1.00 55.79 180 A 1 ATOM 1406 N NH2 . ARG A 1 180 ? 10.740 -7.815 -7.953 1.00 54.48 180 A 1 ATOM 1407 N N . ARG A 1 181 ? 5.346 -1.193 -10.601 1.00 89.33 181 A 1 ATOM 1408 C CA . ARG A 1 181 ? 3.968 -0.736 -10.788 1.00 90.13 181 A 1 ATOM 1409 C C . ARG A 1 181 ? 2.998 -1.908 -10.658 1.00 90.41 181 A 1 ATOM 1410 O O . ARG A 1 181 ? 3.305 -3.011 -11.112 1.00 89.66 181 A 1 ATOM 1411 C CB . ARG A 1 181 ? 3.814 -0.025 -12.134 1.00 90.19 181 A 1 ATOM 1412 C CG . ARG A 1 181 ? 4.736 1.200 -12.331 1.00 88.97 181 A 1 ATOM 1413 C CD . ARG A 1 181 ? 4.598 2.269 -11.230 1.00 87.45 181 A 1 ATOM 1414 N NE . ARG A 1 181 ? 3.239 2.781 -11.120 1.00 87.64 181 A 1 ATOM 1415 C CZ . ARG A 1 181 ? 2.693 3.814 -11.738 1.00 87.40 181 A 1 ATOM 1416 N NH1 . ARG A 1 181 ? 3.370 4.565 -12.563 1.00 84.19 181 A 1 ATOM 1417 N NH2 . ARG A 1 181 ? 1.457 4.122 -11.510 1.00 84.11 181 A 1 ATOM 1418 N N . TYR A 1 182 ? 1.838 -1.655 -10.085 1.00 92.31 182 A 1 ATOM 1419 C CA . TYR A 1 182 ? 0.789 -2.638 -9.860 1.00 93.05 182 A 1 ATOM 1420 C C . TYR A 1 182 ? -0.542 -2.153 -10.464 1.00 94.27 182 A 1 ATOM 1421 O O . TYR A 1 182 ? -1.428 -1.729 -9.732 1.00 94.17 182 A 1 ATOM 1422 C CB . TYR A 1 182 ? 0.683 -2.933 -8.361 1.00 91.90 182 A 1 ATOM 1423 C CG . TYR A 1 182 ? 1.948 -3.512 -7.762 1.00 90.67 182 A 1 ATOM 1424 C CD1 . TYR A 1 182 ? 2.273 -4.866 -7.968 1.00 88.58 182 A 1 ATOM 1425 C CD2 . TYR A 1 182 ? 2.802 -2.708 -6.977 1.00 88.47 182 A 1 ATOM 1426 C CE1 . TYR A 1 182 ? 3.424 -5.419 -7.396 1.00 87.00 182 A 1 ATOM 1427 C CE2 . TYR A 1 182 ? 3.957 -3.249 -6.403 1.00 86.56 182 A 1 ATOM 1428 C CZ . TYR A 1 182 ? 4.267 -4.606 -6.610 1.00 86.12 182 A 1 ATOM 1429 O OH . TYR A 1 182 ? 5.387 -5.156 -6.044 1.00 83.41 182 A 1 ATOM 1430 N N . PRO A 1 183 ? -0.687 -2.186 -11.813 1.00 93.17 183 A 1 ATOM 1431 C CA . PRO A 1 183 ? -1.931 -1.771 -12.456 1.00 93.55 183 A 1 ATOM 1432 C C . PRO A 1 183 ? -3.122 -2.575 -11.944 1.00 94.15 183 A 1 ATOM 1433 O O . PRO A 1 183 ? -3.002 -3.782 -11.732 1.00 93.91 183 A 1 ATOM 1434 C CB . PRO A 1 183 ? -1.715 -1.997 -13.956 1.00 92.51 183 A 1 ATOM 1435 C CG . PRO A 1 183 ? -0.192 -1.988 -14.109 1.00 90.57 183 A 1 ATOM 1436 C CD . PRO A 1 183 ? 0.295 -2.594 -12.803 1.00 92.99 183 A 1 ATOM 1437 N N . PHE A 1 184 ? -4.286 -1.933 -11.805 1.00 95.51 184 A 1 ATOM 1438 C CA . PHE A 1 184 ? -5.499 -2.542 -11.266 1.00 95.83 184 A 1 ATOM 1439 C C . PHE A 1 184 ? -5.840 -3.879 -11.928 1.00 95.12 184 A 1 ATOM 1440 O O . PHE A 1 184 ? -6.038 -4.873 -11.229 1.00 94.56 184 A 1 ATOM 1441 C CB . PHE A 1 184 ? -6.670 -1.571 -11.420 1.00 96.04 184 A 1 ATOM 1442 C CG . PHE A 1 184 ? -7.982 -2.147 -10.918 1.00 96.19 184 A 1 ATOM 1443 C CD1 . PHE A 1 184 ? -8.947 -2.627 -11.827 1.00 95.47 184 A 1 ATOM 1444 C CD2 . PHE A 1 184 ? -8.231 -2.236 -9.537 1.00 95.42 184 A 1 ATOM 1445 C CE1 . PHE A 1 184 ? -10.147 -3.190 -11.357 1.00 95.00 184 A 1 ATOM 1446 C CE2 . PHE A 1 184 ? -9.427 -2.796 -9.069 1.00 94.92 184 A 1 ATOM 1447 C CZ . PHE A 1 184 ? -10.391 -3.269 -9.973 1.00 95.06 184 A 1 ATOM 1448 N N . GLU A 1 185 ? -5.819 -3.930 -13.259 1.00 95.39 185 A 1 ATOM 1449 C CA . GLU A 1 185 ? -6.171 -5.136 -14.016 1.00 94.43 185 A 1 ATOM 1450 C C . GLU A 1 185 ? -5.230 -6.305 -13.717 1.00 93.72 185 A 1 ATOM 1451 O O . GLU A 1 185 ? -5.670 -7.446 -13.623 1.00 92.23 185 A 1 ATOM 1452 C CB . GLU A 1 185 ? -6.152 -4.835 -15.518 1.00 94.30 185 A 1 ATOM 1453 C CG . GLU A 1 185 ? -7.146 -3.751 -15.956 1.00 89.70 185 A 1 ATOM 1454 C CD . GLU A 1 185 ? -8.573 -4.019 -15.462 1.00 83.06 185 A 1 ATOM 1455 O OE1 . GLU A 1 185 ? -9.263 -3.039 -15.115 1.00 76.53 185 A 1 ATOM 1456 O OE2 . GLU A 1 185 ? -8.972 -5.197 -15.364 1.00 78.40 185 A 1 ATOM 1457 N N . ARG A 1 186 ? -3.923 -6.026 -13.509 1.00 92.51 186 A 1 ATOM 1458 C CA . ARG A 1 186 ? -2.955 -7.052 -13.142 1.00 91.14 186 A 1 ATOM 1459 C C . ARG A 1 186 ? -3.269 -7.619 -11.763 1.00 91.09 186 A 1 ATOM 1460 O O . ARG A 1 186 ? -3.334 -8.828 -11.617 1.00 89.95 186 A 1 ATOM 1461 C CB . ARG A 1 186 ? -1.531 -6.500 -13.213 1.00 89.65 186 A 1 ATOM 1462 C CG . ARG A 1 186 ? -0.493 -7.590 -12.899 1.00 83.05 186 A 1 ATOM 1463 C CD . ARG A 1 186 ? 0.948 -7.038 -12.904 1.00 78.28 186 A 1 ATOM 1464 N NE . ARG A 1 186 ? 1.344 -6.590 -14.244 1.00 71.35 186 A 1 ATOM 1465 C CZ . ARG A 1 186 ? 2.410 -5.877 -14.535 1.00 67.59 186 A 1 ATOM 1466 N NH1 . ARG A 1 186 ? 3.248 -5.494 -13.608 1.00 61.48 186 A 1 ATOM 1467 N NH2 . ARG A 1 186 ? 2.659 -5.546 -15.775 1.00 61.70 186 A 1 ATOM 1468 N N . VAL A 1 187 ? -3.482 -6.764 -10.778 1.00 91.67 187 A 1 ATOM 1469 C CA . VAL A 1 187 ? -3.791 -7.211 -9.413 1.00 92.10 187 A 1 ATOM 1470 C C . VAL A 1 187 ? -5.127 -7.949 -9.384 1.00 91.86 187 A 1 ATOM 1471 O O . VAL A 1 187 ? -5.213 -9.029 -8.814 1.00 91.13 187 A 1 ATOM 1472 C CB . VAL A 1 187 ? -3.770 -6.053 -8.405 1.00 92.76 187 A 1 ATOM 1473 C CG1 . VAL A 1 187 ? -3.968 -6.576 -6.991 1.00 91.14 187 A 1 ATOM 1474 C CG2 . VAL A 1 187 ? -2.435 -5.311 -8.439 1.00 91.44 187 A 1 ATOM 1475 N N . ARG A 1 188 ? -6.149 -7.442 -10.082 1.00 93.36 188 A 1 ATOM 1476 C CA . ARG A 1 188 ? -7.469 -8.083 -10.191 1.00 92.72 188 A 1 ATOM 1477 C C . ARG A 1 188 ? -7.360 -9.494 -10.764 1.00 92.07 188 A 1 ATOM 1478 O O . ARG A 1 188 ? -7.987 -10.399 -10.221 1.00 91.05 188 A 1 ATOM 1479 C CB . ARG A 1 188 ? -8.396 -7.204 -11.040 1.00 92.56 188 A 1 ATOM 1480 C CG . ARG A 1 188 ? -9.857 -7.679 -10.981 1.00 88.83 188 A 1 ATOM 1481 C CD . ARG A 1 188 ? -10.795 -6.702 -11.707 1.00 84.85 188 A 1 ATOM 1482 N NE . ARG A 1 188 ? -10.573 -6.675 -13.158 1.00 78.00 188 A 1 ATOM 1483 C CZ . ARG A 1 188 ? -11.209 -7.393 -14.078 1.00 73.24 188 A 1 ATOM 1484 N NH1 . ARG A 1 188 ? -12.158 -8.236 -13.766 1.00 67.14 188 A 1 ATOM 1485 N NH2 . ARG A 1 188 ? -10.903 -7.250 -15.329 1.00 67.50 188 A 1 ATOM 1486 N N . SER A 1 189 ? -6.510 -9.695 -11.768 1.00 90.73 189 A 1 ATOM 1487 C CA . SER A 1 189 ? -6.315 -11.009 -12.400 1.00 90.30 189 A 1 ATOM 1488 C C . SER A 1 189 ? -5.769 -12.083 -11.452 1.00 89.75 189 A 1 ATOM 1489 O O . SER A 1 189 ? -5.931 -13.272 -11.725 1.00 88.31 189 A 1 ATOM 1490 C CB . SER A 1 189 ? -5.418 -10.889 -13.629 1.00 89.54 189 A 1 ATOM 1491 O OG . SER A 1 189 ? -4.045 -10.757 -13.297 1.00 86.04 189 A 1 ATOM 1492 N N . TRP A 1 190 ? -5.145 -11.684 -10.326 1.00 89.02 190 A 1 ATOM 1493 C CA . TRP A 1 190 ? -4.662 -12.625 -9.326 1.00 87.74 190 A 1 ATOM 1494 C C . TRP A 1 190 ? -5.788 -13.231 -8.487 1.00 86.93 190 A 1 ATOM 1495 O O . TRP A 1 190 ? -5.644 -14.328 -7.954 1.00 84.08 190 A 1 ATOM 1496 C CB . TRP A 1 190 ? -3.654 -11.922 -8.409 1.00 86.95 190 A 1 ATOM 1497 C CG . TRP A 1 190 ? -2.492 -11.244 -9.073 1.00 86.05 190 A 1 ATOM 1498 C CD1 . TRP A 1 190 ? -2.075 -11.428 -10.346 1.00 83.10 190 A 1 ATOM 1499 C CD2 . TRP A 1 190 ? -1.553 -10.303 -8.480 1.00 85.70 190 A 1 ATOM 1500 N NE1 . TRP A 1 190 ? -0.930 -10.665 -10.580 1.00 81.90 190 A 1 ATOM 1501 C CE2 . TRP A 1 190 ? -0.573 -9.977 -9.455 1.00 84.23 190 A 1 ATOM 1502 C CE3 . TRP A 1 190 ? -1.417 -9.712 -7.198 1.00 82.48 190 A 1 ATOM 1503 C CZ2 . TRP A 1 190 ? 0.522 -9.124 -9.175 1.00 81.67 190 A 1 ATOM 1504 C CZ3 . TRP A 1 190 ? -0.335 -8.854 -6.923 1.00 81.19 190 A 1 ATOM 1505 C CH2 . TRP A 1 190 ? 0.625 -8.572 -7.903 1.00 81.33 190 A 1 ATOM 1506 N N . PHE A 1 191 ? -6.902 -12.527 -8.374 1.00 87.96 191 A 1 ATOM 1507 C CA . PHE A 1 191 ? -8.028 -12.897 -7.521 1.00 86.21 191 A 1 ATOM 1508 C C . PHE A 1 191 ? -9.254 -13.355 -8.315 1.00 83.90 191 A 1 ATOM 1509 O O . PHE A 1 191 ? -10.154 -13.984 -7.750 1.00 78.42 191 A 1 ATOM 1510 C CB . PHE A 1 191 ? -8.372 -11.727 -6.604 1.00 85.55 191 A 1 ATOM 1511 C CG . PHE A 1 191 ? -7.210 -11.316 -5.714 1.00 86.09 191 A 1 ATOM 1512 C CD1 . PHE A 1 191 ? -6.921 -12.045 -4.548 1.00 83.79 191 A 1 ATOM 1513 C CD2 . PHE A 1 191 ? -6.389 -10.242 -6.076 1.00 84.54 191 A 1 ATOM 1514 C CE1 . PHE A 1 191 ? -5.816 -11.701 -3.762 1.00 82.94 191 A 1 ATOM 1515 C CE2 . PHE A 1 191 ? -5.282 -9.896 -5.298 1.00 83.19 191 A 1 ATOM 1516 C CZ . PHE A 1 191 ? -4.990 -10.625 -4.132 1.00 83.30 191 A 1 ATOM 1517 N N . THR A 1 192 ? -9.287 -13.070 -9.613 1.00 82.08 192 A 1 ATOM 1518 C CA . THR A 1 192 ? -10.309 -13.618 -10.491 1.00 80.11 192 A 1 ATOM 1519 C C . THR A 1 192 ? -9.908 -15.027 -10.915 1.00 77.53 192 A 1 ATOM 1520 O O . THR A 1 192 ? -8.833 -15.230 -11.475 1.00 70.38 192 A 1 ATOM 1521 C CB . THR A 1 192 ? -10.546 -12.740 -11.723 1.00 75.75 192 A 1 ATOM 1522 O OG1 . THR A 1 192 ? -9.336 -12.452 -12.384 1.00 67.54 192 A 1 ATOM 1523 C CG2 . THR A 1 192 ? -11.188 -11.415 -11.328 1.00 64.56 192 A 1 ATOM 1524 N N . THR A 1 193 ? -10.791 -15.986 -10.688 1.00 73.91 193 A 1 ATOM 1525 C CA . THR A 1 193 ? -10.669 -17.301 -11.316 1.00 71.58 193 A 1 ATOM 1526 C C . THR A 1 193 ? -10.595 -17.084 -12.824 1.00 68.22 193 A 1 ATOM 1527 O O . THR A 1 193 ? -11.337 -16.250 -13.340 1.00 59.83 193 A 1 ATOM 1528 C CB . THR A 1 193 ? -11.871 -18.197 -10.973 1.00 64.91 193 A 1 ATOM 1529 O OG1 . THR A 1 193 ? -12.168 -18.083 -9.602 1.00 56.83 193 A 1 ATOM 1530 C CG2 . THR A 1 193 ? -11.582 -19.675 -11.226 1.00 54.47 193 A 1 ATOM 1531 N N . PRO A 1 194 ? -9.680 -17.769 -13.547 1.00 64.08 194 A 1 ATOM 1532 C CA . PRO A 1 194 ? -9.774 -17.786 -14.990 1.00 62.83 194 A 1 ATOM 1533 C C . PRO A 1 194 ? -11.206 -18.173 -15.337 1.00 62.45 194 A 1 ATOM 1534 O O . PRO A 1 194 ? -11.713 -19.155 -14.797 1.00 57.34 194 A 1 ATOM 1535 C CB . PRO A 1 194 ? -8.789 -18.858 -15.481 1.00 58.11 194 A 1 ATOM 1536 C CG . PRO A 1 194 ? -8.016 -19.302 -14.252 1.00 56.22 194 A 1 ATOM 1537 C CD . PRO A 1 194 ? -8.775 -18.775 -13.040 1.00 58.37 194 A 1 ATOM 1538 N N . SER A 1 195 ? -11.849 -17.417 -16.221 1.00 56.69 195 A 1 ATOM 1539 C CA . SER A 1 195 ? -13.026 -17.948 -16.896 1.00 56.56 195 A 1 ATOM 1540 C C . SER A 1 195 ? -12.571 -19.249 -17.549 1.00 53.50 195 A 1 ATOM 1541 O O . SER A 1 195 ? -11.587 -19.250 -18.288 1.00 49.08 195 A 1 ATOM 1542 C CB . SER A 1 195 ? -13.542 -16.960 -17.945 1.00 53.03 195 A 1 ATOM 1543 O OG . SER A 1 195 ? -13.754 -15.698 -17.347 1.00 47.36 195 A 1 ATOM 1544 N N . ALA A 1 196 ? -13.197 -20.340 -17.181 1.00 54.95 196 A 1 ATOM 1545 C CA . ALA A 1 196 ? -13.053 -21.602 -17.876 1.00 56.36 196 A 1 ATOM 1546 C C . ALA A 1 196 ? -13.542 -21.464 -19.315 1.00 54.55 196 A 1 ATOM 1547 O O . ALA A 1 196 ? -14.444 -20.635 -19.558 1.00 50.14 196 A 1 ATOM 1548 C CB . ALA A 1 196 ? -13.814 -22.682 -17.112 1.00 51.11 196 A 1 ATOM 1549 O OXT . ALA A 1 196 ? -13.009 -22.214 -20.177 1.00 45.76 196 A 1 HETATM 1550 C CHA . HEM B 2 . ? 4.920 -12.529 -4.236 1.00 62.73 1 B 1 HETATM 1551 C CHB . HEM B 2 . ? 0.965 -14.239 -2.236 1.00 66.02 1 B 1 HETATM 1552 C CHC . HEM B 2 . ? -1.253 -10.058 -3.051 1.00 72.08 1 B 1 HETATM 1553 C CHD . HEM B 2 . ? 2.847 -8.228 -4.746 1.00 67.20 1 B 1 HETATM 1554 C C1A . HEM B 2 . ? 4.037 -13.374 -3.648 1.00 63.44 1 B 1 HETATM 1555 C C2A . HEM B 2 . ? 4.279 -14.738 -3.309 1.00 59.71 1 B 1 HETATM 1556 C C3A . HEM B 2 . ? 3.172 -15.212 -2.736 1.00 61.46 1 B 1 HETATM 1557 C C4A . HEM B 2 . ? 2.220 -14.150 -2.729 1.00 64.43 1 B 1 HETATM 1558 C CMA . HEM B 2 . ? 2.948 -16.627 -2.195 1.00 56.57 1 B 1 HETATM 1559 C CAA . HEM B 2 . ? 5.576 -15.530 -3.576 1.00 50.73 1 B 1 HETATM 1560 C CBA . HEM B 2 . ? 6.349 -15.864 -2.311 1.00 45.89 1 B 1 HETATM 1561 C CGA . HEM B 2 . ? 7.124 -14.718 -1.811 1.00 42.14 1 B 1 HETATM 1562 O O1A . HEM B 2 . ? 6.845 -14.222 -0.739 1.00 43.22 1 B 1 HETATM 1563 O O2A . HEM B 2 . ? 8.051 -14.301 -2.503 1.00 40.45 1 B 1 HETATM 1564 C C1B . HEM B 2 . ? 0.024 -13.233 -2.280 1.00 67.43 1 B 1 HETATM 1565 C C2B . HEM B 2 . ? -1.290 -13.339 -1.751 1.00 66.67 1 B 1 HETATM 1566 C C3B . HEM B 2 . ? -1.910 -12.170 -1.986 1.00 67.20 1 B 1 HETATM 1567 C C4B . HEM B 2 . ? -0.985 -11.328 -2.654 1.00 70.10 1 B 1 HETATM 1568 C CMB . HEM B 2 . ? -1.832 -14.586 -1.066 1.00 64.63 1 B 1 HETATM 1569 C CAB . HEM B 2 . ? -3.286 -11.737 -1.650 1.00 64.13 1 B 1 HETATM 1570 C CBB . HEM B 2 . ? -4.130 -12.344 -0.838 1.00 60.40 1 B 1 HETATM 1571 C C1C . HEM B 2 . ? -0.336 -9.190 -3.589 1.00 72.20 1 B 1 HETATM 1572 C C2C . HEM B 2 . ? -0.581 -7.828 -3.948 1.00 72.19 1 B 1 HETATM 1573 C C3C . HEM B 2 . ? 0.577 -7.321 -4.405 1.00 71.24 1 B 1 HETATM 1574 C C4C . HEM B 2 . ? 1.540 -8.345 -4.352 1.00 69.83 1 B 1 HETATM 1575 C CMC . HEM B 2 . ? -1.932 -7.119 -3.828 1.00 69.30 1 B 1 HETATM 1576 C CAC . HEM B 2 . ? 0.892 -5.935 -4.902 1.00 69.66 1 B 1 HETATM 1577 C CBC . HEM B 2 . ? 0.135 -4.890 -4.771 1.00 68.23 1 B 1 HETATM 1578 C C1D . HEM B 2 . ? 3.763 -9.221 -4.753 1.00 66.19 1 B 1 HETATM 1579 C C2D . HEM B 2 . ? 5.109 -9.069 -5.194 1.00 63.21 1 B 1 HETATM 1580 C C3D . HEM B 2 . ? 5.716 -10.306 -5.038 1.00 63.43 1 B 1 HETATM 1581 C C4D . HEM B 2 . ? 4.709 -11.196 -4.525 1.00 66.09 1 B 1 HETATM 1582 C CMD . HEM B 2 . ? 5.753 -7.806 -5.738 1.00 60.10 1 B 1 HETATM 1583 C CAD . HEM B 2 . ? 7.166 -10.662 -5.362 1.00 54.85 1 B 1 HETATM 1584 C CBD . HEM B 2 . ? 7.166 -11.294 -6.733 1.00 50.92 1 B 1 HETATM 1585 C CGD . HEM B 2 . ? 8.562 -11.497 -7.266 1.00 49.85 1 B 1 HETATM 1586 O O1D . HEM B 2 . ? 8.770 -11.302 -8.449 1.00 47.71 1 B 1 HETATM 1587 O O2D . HEM B 2 . ? 9.447 -11.870 -6.486 1.00 46.21 1 B 1 HETATM 1588 N NA . HEM B 2 . ? 2.778 -13.048 -3.284 1.00 64.43 1 B 1 HETATM 1589 N NB . HEM B 2 . ? 0.177 -12.009 -2.806 1.00 70.01 1 B 1 HETATM 1590 N NC . HEM B 2 . ? 0.962 -9.478 -3.856 1.00 72.94 1 B 1 HETATM 1591 N ND . HEM B 2 . ? 3.551 -10.512 -4.353 1.00 66.39 1 B 1 HETATM 1592 FE FE . HEM B 2 . ? 1.884 -11.272 -3.576 1.00 70.12 1 B 1 HETATM 1593 FE FE . FE C 3 . ? -11.002 15.655 11.721 1.00 70.33 1 C 1 # If you find results from this site helpful for your research, please cite one of our papers:
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