data_ma-t3vr3-846 _entry.id ma-t3vr3-846 _entry.ma_collection_id ma-t3vr3 _struct.entry_id ma-t3vr3-846 _struct.pdbx_model_details ;Predicted interaction between BCL-6 corepressor (residue 1121 - 1320) and Chromobox protein homolog 8 (residue 236 - 389). Model generated using AlphaFold2 with a 200 residue separation between the chains starting from a paired Multiple Sequence Alignment(pMSA). ; _struct.pdbx_structure_determination_methodology computational _struct.title 'Predicted interaction between BCOR (1121-1320) and CBX8 (236-389)' _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/ba728c4/archive/mmcif_ma-v1.4.5.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary 'Computed cancer interactome explains the effects of somatic mutations in cancers.' 'Protein Sci' 31 e4479 . 2022 36261849 10.1002/pro.4479 2 'Highly accurate protein structure prediction with AlphaFold.' Nature 596 583 589 2021 34265844 10.1038/s41586-021-03819-2 loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Zhang, J.' 1 primary 'Pei, J.' 2 primary 'Durham, J.' 3 primary 'Bos, T.' 4 primary 'Cong, Q.' 5 2 'Jumper, J.' 6 2 'Evans, R.' 7 2 'Pritzel, A.' 8 2 'Green, T.' 9 2 'Figurnov, M.' 10 2 'Ronneberger, O.' 11 2 'Tunyasuvunakool, K.' 12 2 'Bates, R.' 13 2 'Zidek, A.' 14 2 'Potapenko, A.' 15 2 'Bridgland, A.' 16 2 'Meyer, C.' 17 2 'Kohl, S.A.A.' 18 2 'Ballard, A.J.' 19 2 'Cowie, A.' 20 2 'Romera-Paredes, B.' 21 2 'Nikolov, S.' 22 2 'Jain, R.' 23 2 'Adler, J.' 24 2 'Back, T.' 25 2 'Petersen, S.' 26 2 'Reiman, D.' 27 2 'Clancy, E.' 28 2 'Zielinski, M.' 29 2 'Steinegger, M.' 30 2 'Pacholska, M.' 31 2 'Berghammer, T.' 32 2 'Bodenstein, S.' 33 2 'Silver, D.' 34 2 'Vinyals, O.' 35 2 'Senior, A.W.' 36 2 'Kavukcuoglu, K.' 37 2 'Kohli, P.' 38 2 'Hassabis, D.' 39 loop_ _software.pdbx_ordinal _software.name _software.classification _software.description _software.version _software.type _software.location _software.citation_id 1 AlphaFold 'model building' 'Structure prediction' 2.0.0 package https://github.com/deepmind/alphafold 2 loop_ _ma_software_group.ordinal_id _ma_software_group.group_id _ma_software_group.software_id _ma_software_group.parameter_group_id 1 1 1 . loop_ _audit_author.name _audit_author.pdbx_ordinal 'Zhang, J.' 1 'Pei, J.' 2 'Durham, J.' 3 'Bos, T.' 4 'Cong, Q.' 5 loop_ _chem_comp.id _chem_comp.type _chem_comp.name _chem_comp.formula _chem_comp.formula_weight _chem_comp.ma_provenance ALA 'L-peptide linking' ALANINE 'C3 H7 N O2' 89.094 'CCD Core' ARG 'L-peptide linking' ARGININE 'C6 H15 N4 O2 1' 175.212 'CCD Core' ASN 'L-peptide linking' ASPARAGINE 'C4 H8 N2 O3' 132.119 'CCD Core' ASP 'L-peptide linking' 'ASPARTIC ACID' 'C4 H7 N O4' 133.103 'CCD Core' CYS 'L-peptide linking' CYSTEINE 'C3 H7 N O2 S' 121.154 'CCD Core' GLN 'L-peptide linking' GLUTAMINE 'C5 H10 N2 O3' 146.146 'CCD Core' GLU 'L-peptide linking' 'GLUTAMIC ACID' 'C5 H9 N O4' 147.130 'CCD Core' GLY 'peptide linking' GLYCINE 'C2 H5 N O2' 75.067 'CCD Core' HIS 'L-peptide linking' HISTIDINE 'C6 H10 N3 O2 1' 156.165 'CCD Core' ILE 'L-peptide linking' ISOLEUCINE 'C6 H13 N O2' 131.175 'CCD Core' LEU 'L-peptide linking' LEUCINE 'C6 H13 N O2' 131.175 'CCD Core' LYS 'L-peptide linking' LYSINE 'C6 H15 N2 O2 1' 147.198 'CCD Core' MET 'L-peptide linking' METHIONINE 'C5 H11 N O2 S' 149.208 'CCD Core' PHE 'L-peptide linking' PHENYLALANINE 'C9 H11 N O2' 165.192 'CCD Core' PRO 'L-peptide linking' PROLINE 'C5 H9 N O2' 115.132 'CCD Core' SER 'L-peptide linking' SERINE 'C3 H7 N O3' 105.093 'CCD Core' THR 'L-peptide linking' THREONINE 'C4 H9 N O3' 119.120 'CCD Core' TRP 'L-peptide linking' TRYPTOPHAN 'C11 H12 N2 O2' 204.229 'CCD Core' TYR 'L-peptide linking' TYROSINE 'C9 H11 N O3' 181.191 'CCD Core' VAL 'L-peptide linking' VALINE 'C5 H11 N O2' 117.148 'CCD Core' loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.details 1 polymer nat 'Homo sapiens (Human) BCOR (Q6W2J9; 1121 - 1320)' 25822.076 1 . 2 polymer nat 'Homo sapiens (Human) CBX8 (Q9HC52; 236 - 389)' 19020.749 1 . loop_ _entity_src_nat.entity_id _entity_src_nat.pdbx_src_id _entity_src_nat.pdbx_ncbi_taxonomy_id _entity_src_nat.pdbx_organism_scientific _entity_src_nat.common_name _entity_src_nat.strain 1 1 9606 'Homo sapiens (Human)' . . 2 2 9606 'Homo sapiens (Human)' . . loop_ _ma_target_ref_db_details.target_entity_id _ma_target_ref_db_details.db_name _ma_target_ref_db_details.db_name_other_details _ma_target_ref_db_details.db_code _ma_target_ref_db_details.db_accession _ma_target_ref_db_details.seq_db_isoform _ma_target_ref_db_details.seq_db_align_begin _ma_target_ref_db_details.seq_db_align_end _ma_target_ref_db_details.ncbi_taxonomy_id _ma_target_ref_db_details.organism_scientific _ma_target_ref_db_details.seq_db_sequence_version_date _ma_target_ref_db_details.seq_db_sequence_checksum 1 UNP . BCOR_HUMAN Q6W2J9 . 1121 1320 9606 'Homo sapiens (Human)' 2004-07-05 A80CFCD5618EE717 2 UNP . CBX8_HUMAN Q9HC52 . 236 389 9606 'Homo sapiens (Human)' 2005-05-10 651263C85B0ECD93 loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_strand_id _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can 1 polypeptide(L) no no A ;ASDMPHSPTLRVDRKRKVSGDSSHTETTAEEVPEDPLLKAKRRRVSKDDWPEREMTNSSSNHLEDPHYSE LTNLKVCIELTGLHPKKQRHLLHLRERWEQQVSAADGKPGRQSRKEVTQATQPEAIPQGTNITEEKPGRK RAEAKGNRSWSEESLKPSDNEQGLPVFSGSPPMKSLSSTSAGGKKQAQPSCAPASRPPAK ; ;ASDMPHSPTLRVDRKRKVSGDSSHTETTAEEVPEDPLLKAKRRRVSKDDWPEREMTNSSSNHLEDPHYSE LTNLKVCIELTGLHPKKQRHLLHLRERWEQQVSAADGKPGRQSRKEVTQATQPEAIPQGTNITEEKPGRK RAEAKGNRSWSEESLKPSDNEQGLPVFSGSPPMKSLSSTSAGGKKQAQPSCAPASRPPAK ; 2 polypeptide(L) no no B ;SGAGKFPAGHSVIQLARRQDSDLVQCGVTSPSSAEATGKLAVDTFPARVIKHRAAFLEAKGQGALDPNGT RVRHGSGPPSSGGGLYRDMGAQGGRPSLIARIPVARILGDPEEESWSPSLTNLEKVVVTDVTSNFLTVTI KESNTDQGFFKEKR ; ;SGAGKFPAGHSVIQLARRQDSDLVQCGVTSPSSAEATGKLAVDTFPARVIKHRAAFLEAKGQGALDPNGT RVRHGSGPPSSGGGLYRDMGAQGGRPSLIARIPVARILGDPEEESWSPSLTNLEKVVVTDVTSNFLTVTI KESNTDQGFFKEKR ; loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ALA . 1 2 SER . 1 3 ASP . 1 4 MET . 1 5 PRO . 1 6 HIS . 1 7 SER . 1 8 PRO . 1 9 THR . 1 10 LEU . 1 11 ARG . 1 12 VAL . 1 13 ASP . 1 14 ARG . 1 15 LYS . 1 16 ARG . 1 17 LYS . 1 18 VAL . 1 19 SER . 1 20 GLY . 1 21 ASP . 1 22 SER . 1 23 SER . 1 24 HIS . 1 25 THR . 1 26 GLU . 1 27 THR . 1 28 THR . 1 29 ALA . 1 30 GLU . 1 31 GLU . 1 32 VAL . 1 33 PRO . 1 34 GLU . 1 35 ASP . 1 36 PRO . 1 37 LEU . 1 38 LEU . 1 39 LYS . 1 40 ALA . 1 41 LYS . 1 42 ARG . 1 43 ARG . 1 44 ARG . 1 45 VAL . 1 46 SER . 1 47 LYS . 1 48 ASP . 1 49 ASP . 1 50 TRP . 1 51 PRO . 1 52 GLU . 1 53 ARG . 1 54 GLU . 1 55 MET . 1 56 THR . 1 57 ASN . 1 58 SER . 1 59 SER . 1 60 SER . 1 61 ASN . 1 62 HIS . 1 63 LEU . 1 64 GLU . 1 65 ASP . 1 66 PRO . 1 67 HIS . 1 68 TYR . 1 69 SER . 1 70 GLU . 1 71 LEU . 1 72 THR . 1 73 ASN . 1 74 LEU . 1 75 LYS . 1 76 VAL . 1 77 CYS . 1 78 ILE . 1 79 GLU . 1 80 LEU . 1 81 THR . 1 82 GLY . 1 83 LEU . 1 84 HIS . 1 85 PRO . 1 86 LYS . 1 87 LYS . 1 88 GLN . 1 89 ARG . 1 90 HIS . 1 91 LEU . 1 92 LEU . 1 93 HIS . 1 94 LEU . 1 95 ARG . 1 96 GLU . 1 97 ARG . 1 98 TRP . 1 99 GLU . 1 100 GLN . 1 101 GLN . 1 102 VAL . 1 103 SER . 1 104 ALA . 1 105 ALA . 1 106 ASP . 1 107 GLY . 1 108 LYS . 1 109 PRO . 1 110 GLY . 1 111 ARG . 1 112 GLN . 1 113 SER . 1 114 ARG . 1 115 LYS . 1 116 GLU . 1 117 VAL . 1 118 THR . 1 119 GLN . 1 120 ALA . 1 121 THR . 1 122 GLN . 1 123 PRO . 1 124 GLU . 1 125 ALA . 1 126 ILE . 1 127 PRO . 1 128 GLN . 1 129 GLY . 1 130 THR . 1 131 ASN . 1 132 ILE . 1 133 THR . 1 134 GLU . 1 135 GLU . 1 136 LYS . 1 137 PRO . 1 138 GLY . 1 139 ARG . 1 140 LYS . 1 141 ARG . 1 142 ALA . 1 143 GLU . 1 144 ALA . 1 145 LYS . 1 146 GLY . 1 147 ASN . 1 148 ARG . 1 149 SER . 1 150 TRP . 1 151 SER . 1 152 GLU . 1 153 GLU . 1 154 SER . 1 155 LEU . 1 156 LYS . 1 157 PRO . 1 158 SER . 1 159 ASP . 1 160 ASN . 1 161 GLU . 1 162 GLN . 1 163 GLY . 1 164 LEU . 1 165 PRO . 1 166 VAL . 1 167 PHE . 1 168 SER . 1 169 GLY . 1 170 SER . 1 171 PRO . 1 172 PRO . 1 173 MET . 1 174 LYS . 1 175 SER . 1 176 LEU . 1 177 SER . 1 178 SER . 1 179 THR . 1 180 SER . 1 181 ALA . 1 182 GLY . 1 183 GLY . 1 184 LYS . 1 185 LYS . 1 186 GLN . 1 187 ALA . 1 188 GLN . 1 189 PRO . 1 190 SER . 1 191 CYS . 1 192 ALA . 1 193 PRO . 1 194 ALA . 1 195 SER . 1 196 ARG . 1 197 PRO . 1 198 PRO . 1 199 ALA . 1 200 LYS . 2 1 SER . 2 2 GLY . 2 3 ALA . 2 4 GLY . 2 5 LYS . 2 6 PHE . 2 7 PRO . 2 8 ALA . 2 9 GLY . 2 10 HIS . 2 11 SER . 2 12 VAL . 2 13 ILE . 2 14 GLN . 2 15 LEU . 2 16 ALA . 2 17 ARG . 2 18 ARG . 2 19 GLN . 2 20 ASP . 2 21 SER . 2 22 ASP . 2 23 LEU . 2 24 VAL . 2 25 GLN . 2 26 CYS . 2 27 GLY . 2 28 VAL . 2 29 THR . 2 30 SER . 2 31 PRO . 2 32 SER . 2 33 SER . 2 34 ALA . 2 35 GLU . 2 36 ALA . 2 37 THR . 2 38 GLY . 2 39 LYS . 2 40 LEU . 2 41 ALA . 2 42 VAL . 2 43 ASP . 2 44 THR . 2 45 PHE . 2 46 PRO . 2 47 ALA . 2 48 ARG . 2 49 VAL . 2 50 ILE . 2 51 LYS . 2 52 HIS . 2 53 ARG . 2 54 ALA . 2 55 ALA . 2 56 PHE . 2 57 LEU . 2 58 GLU . 2 59 ALA . 2 60 LYS . 2 61 GLY . 2 62 GLN . 2 63 GLY . 2 64 ALA . 2 65 LEU . 2 66 ASP . 2 67 PRO . 2 68 ASN . 2 69 GLY . 2 70 THR . 2 71 ARG . 2 72 VAL . 2 73 ARG . 2 74 HIS . 2 75 GLY . 2 76 SER . 2 77 GLY . 2 78 PRO . 2 79 PRO . 2 80 SER . 2 81 SER . 2 82 GLY . 2 83 GLY . 2 84 GLY . 2 85 LEU . 2 86 TYR . 2 87 ARG . 2 88 ASP . 2 89 MET . 2 90 GLY . 2 91 ALA . 2 92 GLN . 2 93 GLY . 2 94 GLY . 2 95 ARG . 2 96 PRO . 2 97 SER . 2 98 LEU . 2 99 ILE . 2 100 ALA . 2 101 ARG . 2 102 ILE . 2 103 PRO . 2 104 VAL . 2 105 ALA . 2 106 ARG . 2 107 ILE . 2 108 LEU . 2 109 GLY . 2 110 ASP . 2 111 PRO . 2 112 GLU . 2 113 GLU . 2 114 GLU . 2 115 SER . 2 116 TRP . 2 117 SER . 2 118 PRO . 2 119 SER . 2 120 LEU . 2 121 THR . 2 122 ASN . 2 123 LEU . 2 124 GLU . 2 125 LYS . 2 126 VAL . 2 127 VAL . 2 128 VAL . 2 129 THR . 2 130 ASP . 2 131 VAL . 2 132 THR . 2 133 SER . 2 134 ASN . 2 135 PHE . 2 136 LEU . 2 137 THR . 2 138 VAL . 2 139 THR . 2 140 ILE . 2 141 LYS . 2 142 GLU . 2 143 SER . 2 144 ASN . 2 145 THR . 2 146 ASP . 2 147 GLN . 2 148 GLY . 2 149 PHE . 2 150 PHE . 2 151 LYS . 2 152 GLU . 2 153 LYS . 2 154 ARG . loop_ _struct_asym.id _struct_asym.entity_id _struct_asym.details A 1 . B 2 . loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code A 1 1 ALA 1121 1121 ALA ALA A . A 1 2 SER 1122 1122 SER SER A . A 1 3 ASP 1123 1123 ASP ASP A . A 1 4 MET 1124 1124 MET MET A . A 1 5 PRO 1125 1125 PRO PRO A . A 1 6 HIS 1126 1126 HIS HIS A . A 1 7 SER 1127 1127 SER SER A . A 1 8 PRO 1128 1128 PRO PRO A . A 1 9 THR 1129 1129 THR THR A . A 1 10 LEU 1130 1130 LEU LEU A . A 1 11 ARG 1131 1131 ARG ARG A . A 1 12 VAL 1132 1132 VAL VAL A . A 1 13 ASP 1133 1133 ASP ASP A . A 1 14 ARG 1134 1134 ARG ARG A . A 1 15 LYS 1135 1135 LYS LYS A . A 1 16 ARG 1136 1136 ARG ARG A . A 1 17 LYS 1137 1137 LYS LYS A . A 1 18 VAL 1138 1138 VAL VAL A . A 1 19 SER 1139 1139 SER SER A . A 1 20 GLY 1140 1140 GLY GLY A . A 1 21 ASP 1141 1141 ASP ASP A . A 1 22 SER 1142 1142 SER SER A . A 1 23 SER 1143 1143 SER SER A . A 1 24 HIS 1144 1144 HIS HIS A . A 1 25 THR 1145 1145 THR THR A . A 1 26 GLU 1146 1146 GLU GLU A . A 1 27 THR 1147 1147 THR THR A . A 1 28 THR 1148 1148 THR THR A . A 1 29 ALA 1149 1149 ALA ALA A . A 1 30 GLU 1150 1150 GLU GLU A . A 1 31 GLU 1151 1151 GLU GLU A . A 1 32 VAL 1152 1152 VAL VAL A . A 1 33 PRO 1153 1153 PRO PRO A . A 1 34 GLU 1154 1154 GLU GLU A . A 1 35 ASP 1155 1155 ASP ASP A . A 1 36 PRO 1156 1156 PRO PRO A . A 1 37 LEU 1157 1157 LEU LEU A . A 1 38 LEU 1158 1158 LEU LEU A . A 1 39 LYS 1159 1159 LYS LYS A . A 1 40 ALA 1160 1160 ALA ALA A . A 1 41 LYS 1161 1161 LYS LYS A . A 1 42 ARG 1162 1162 ARG ARG A . A 1 43 ARG 1163 1163 ARG ARG A . A 1 44 ARG 1164 1164 ARG ARG A . A 1 45 VAL 1165 1165 VAL VAL A . A 1 46 SER 1166 1166 SER SER A . A 1 47 LYS 1167 1167 LYS LYS A . A 1 48 ASP 1168 1168 ASP ASP A . A 1 49 ASP 1169 1169 ASP ASP A . A 1 50 TRP 1170 1170 TRP TRP A . A 1 51 PRO 1171 1171 PRO PRO A . A 1 52 GLU 1172 1172 GLU GLU A . A 1 53 ARG 1173 1173 ARG ARG A . A 1 54 GLU 1174 1174 GLU GLU A . A 1 55 MET 1175 1175 MET MET A . A 1 56 THR 1176 1176 THR THR A . A 1 57 ASN 1177 1177 ASN ASN A . A 1 58 SER 1178 1178 SER SER A . A 1 59 SER 1179 1179 SER SER A . A 1 60 SER 1180 1180 SER SER A . A 1 61 ASN 1181 1181 ASN ASN A . A 1 62 HIS 1182 1182 HIS HIS A . A 1 63 LEU 1183 1183 LEU LEU A . A 1 64 GLU 1184 1184 GLU GLU A . A 1 65 ASP 1185 1185 ASP ASP A . A 1 66 PRO 1186 1186 PRO PRO A . A 1 67 HIS 1187 1187 HIS HIS A . A 1 68 TYR 1188 1188 TYR TYR A . A 1 69 SER 1189 1189 SER SER A . A 1 70 GLU 1190 1190 GLU GLU A . A 1 71 LEU 1191 1191 LEU LEU A . A 1 72 THR 1192 1192 THR THR A . A 1 73 ASN 1193 1193 ASN ASN A . A 1 74 LEU 1194 1194 LEU LEU A . A 1 75 LYS 1195 1195 LYS LYS A . A 1 76 VAL 1196 1196 VAL VAL A . A 1 77 CYS 1197 1197 CYS CYS A . A 1 78 ILE 1198 1198 ILE ILE A . A 1 79 GLU 1199 1199 GLU GLU A . A 1 80 LEU 1200 1200 LEU LEU A . A 1 81 THR 1201 1201 THR THR A . A 1 82 GLY 1202 1202 GLY GLY A . A 1 83 LEU 1203 1203 LEU LEU A . A 1 84 HIS 1204 1204 HIS HIS A . A 1 85 PRO 1205 1205 PRO PRO A . A 1 86 LYS 1206 1206 LYS LYS A . A 1 87 LYS 1207 1207 LYS LYS A . A 1 88 GLN 1208 1208 GLN GLN A . A 1 89 ARG 1209 1209 ARG ARG A . A 1 90 HIS 1210 1210 HIS HIS A . A 1 91 LEU 1211 1211 LEU LEU A . A 1 92 LEU 1212 1212 LEU LEU A . A 1 93 HIS 1213 1213 HIS HIS A . A 1 94 LEU 1214 1214 LEU LEU A . A 1 95 ARG 1215 1215 ARG ARG A . A 1 96 GLU 1216 1216 GLU GLU A . A 1 97 ARG 1217 1217 ARG ARG A . A 1 98 TRP 1218 1218 TRP TRP A . A 1 99 GLU 1219 1219 GLU GLU A . A 1 100 GLN 1220 1220 GLN GLN A . A 1 101 GLN 1221 1221 GLN GLN A . A 1 102 VAL 1222 1222 VAL VAL A . A 1 103 SER 1223 1223 SER SER A . A 1 104 ALA 1224 1224 ALA ALA A . A 1 105 ALA 1225 1225 ALA ALA A . A 1 106 ASP 1226 1226 ASP ASP A . A 1 107 GLY 1227 1227 GLY GLY A . A 1 108 LYS 1228 1228 LYS LYS A . A 1 109 PRO 1229 1229 PRO PRO A . A 1 110 GLY 1230 1230 GLY GLY A . A 1 111 ARG 1231 1231 ARG ARG A . A 1 112 GLN 1232 1232 GLN GLN A . A 1 113 SER 1233 1233 SER SER A . A 1 114 ARG 1234 1234 ARG ARG A . A 1 115 LYS 1235 1235 LYS LYS A . A 1 116 GLU 1236 1236 GLU GLU A . A 1 117 VAL 1237 1237 VAL VAL A . A 1 118 THR 1238 1238 THR THR A . A 1 119 GLN 1239 1239 GLN GLN A . A 1 120 ALA 1240 1240 ALA ALA A . A 1 121 THR 1241 1241 THR THR A . A 1 122 GLN 1242 1242 GLN GLN A . A 1 123 PRO 1243 1243 PRO PRO A . A 1 124 GLU 1244 1244 GLU GLU A . A 1 125 ALA 1245 1245 ALA ALA A . A 1 126 ILE 1246 1246 ILE ILE A . A 1 127 PRO 1247 1247 PRO PRO A . A 1 128 GLN 1248 1248 GLN GLN A . A 1 129 GLY 1249 1249 GLY GLY A . A 1 130 THR 1250 1250 THR THR A . A 1 131 ASN 1251 1251 ASN ASN A . A 1 132 ILE 1252 1252 ILE ILE A . A 1 133 THR 1253 1253 THR THR A . A 1 134 GLU 1254 1254 GLU GLU A . A 1 135 GLU 1255 1255 GLU GLU A . A 1 136 LYS 1256 1256 LYS LYS A . A 1 137 PRO 1257 1257 PRO PRO A . A 1 138 GLY 1258 1258 GLY GLY A . A 1 139 ARG 1259 1259 ARG ARG A . A 1 140 LYS 1260 1260 LYS LYS A . A 1 141 ARG 1261 1261 ARG ARG A . A 1 142 ALA 1262 1262 ALA ALA A . A 1 143 GLU 1263 1263 GLU GLU A . A 1 144 ALA 1264 1264 ALA ALA A . A 1 145 LYS 1265 1265 LYS LYS A . A 1 146 GLY 1266 1266 GLY GLY A . A 1 147 ASN 1267 1267 ASN ASN A . A 1 148 ARG 1268 1268 ARG ARG A . A 1 149 SER 1269 1269 SER SER A . A 1 150 TRP 1270 1270 TRP TRP A . A 1 151 SER 1271 1271 SER SER A . A 1 152 GLU 1272 1272 GLU GLU A . A 1 153 GLU 1273 1273 GLU GLU A . A 1 154 SER 1274 1274 SER SER A . A 1 155 LEU 1275 1275 LEU LEU A . A 1 156 LYS 1276 1276 LYS LYS A . A 1 157 PRO 1277 1277 PRO PRO A . A 1 158 SER 1278 1278 SER SER A . A 1 159 ASP 1279 1279 ASP ASP A . A 1 160 ASN 1280 1280 ASN ASN A . A 1 161 GLU 1281 1281 GLU GLU A . A 1 162 GLN 1282 1282 GLN GLN A . A 1 163 GLY 1283 1283 GLY GLY A . A 1 164 LEU 1284 1284 LEU LEU A . A 1 165 PRO 1285 1285 PRO PRO A . A 1 166 VAL 1286 1286 VAL VAL A . A 1 167 PHE 1287 1287 PHE PHE A . A 1 168 SER 1288 1288 SER SER A . A 1 169 GLY 1289 1289 GLY GLY A . A 1 170 SER 1290 1290 SER SER A . A 1 171 PRO 1291 1291 PRO PRO A . A 1 172 PRO 1292 1292 PRO PRO A . A 1 173 MET 1293 1293 MET MET A . A 1 174 LYS 1294 1294 LYS LYS A . A 1 175 SER 1295 1295 SER SER A . A 1 176 LEU 1296 1296 LEU LEU A . A 1 177 SER 1297 1297 SER SER A . A 1 178 SER 1298 1298 SER SER A . A 1 179 THR 1299 1299 THR THR A . A 1 180 SER 1300 1300 SER SER A . A 1 181 ALA 1301 1301 ALA ALA A . A 1 182 GLY 1302 1302 GLY GLY A . A 1 183 GLY 1303 1303 GLY GLY A . A 1 184 LYS 1304 1304 LYS LYS A . A 1 185 LYS 1305 1305 LYS LYS A . A 1 186 GLN 1306 1306 GLN GLN A . A 1 187 ALA 1307 1307 ALA ALA A . A 1 188 GLN 1308 1308 GLN GLN A . A 1 189 PRO 1309 1309 PRO PRO A . A 1 190 SER 1310 1310 SER SER A . A 1 191 CYS 1311 1311 CYS CYS A . A 1 192 ALA 1312 1312 ALA ALA A . A 1 193 PRO 1313 1313 PRO PRO A . A 1 194 ALA 1314 1314 ALA ALA A . A 1 195 SER 1315 1315 SER SER A . A 1 196 ARG 1316 1316 ARG ARG A . A 1 197 PRO 1317 1317 PRO PRO A . A 1 198 PRO 1318 1318 PRO PRO A . A 1 199 ALA 1319 1319 ALA ALA A . A 1 200 LYS 1320 1320 LYS LYS A . B 2 1 SER 236 236 SER SER B . B 2 2 GLY 237 237 GLY GLY B . B 2 3 ALA 238 238 ALA ALA B . B 2 4 GLY 239 239 GLY GLY B . B 2 5 LYS 240 240 LYS LYS B . B 2 6 PHE 241 241 PHE PHE B . B 2 7 PRO 242 242 PRO PRO B . B 2 8 ALA 243 243 ALA ALA B . B 2 9 GLY 244 244 GLY GLY B . B 2 10 HIS 245 245 HIS HIS B . B 2 11 SER 246 246 SER SER B . B 2 12 VAL 247 247 VAL VAL B . B 2 13 ILE 248 248 ILE ILE B . B 2 14 GLN 249 249 GLN GLN B . B 2 15 LEU 250 250 LEU LEU B . B 2 16 ALA 251 251 ALA ALA B . B 2 17 ARG 252 252 ARG ARG B . B 2 18 ARG 253 253 ARG ARG B . B 2 19 GLN 254 254 GLN GLN B . B 2 20 ASP 255 255 ASP ASP B . B 2 21 SER 256 256 SER SER B . B 2 22 ASP 257 257 ASP ASP B . B 2 23 LEU 258 258 LEU LEU B . B 2 24 VAL 259 259 VAL VAL B . B 2 25 GLN 260 260 GLN GLN B . B 2 26 CYS 261 261 CYS CYS B . B 2 27 GLY 262 262 GLY GLY B . B 2 28 VAL 263 263 VAL VAL B . B 2 29 THR 264 264 THR THR B . B 2 30 SER 265 265 SER SER B . B 2 31 PRO 266 266 PRO PRO B . B 2 32 SER 267 267 SER SER B . B 2 33 SER 268 268 SER SER B . B 2 34 ALA 269 269 ALA ALA B . B 2 35 GLU 270 270 GLU GLU B . B 2 36 ALA 271 271 ALA ALA B . B 2 37 THR 272 272 THR THR B . B 2 38 GLY 273 273 GLY GLY B . B 2 39 LYS 274 274 LYS LYS B . B 2 40 LEU 275 275 LEU LEU B . B 2 41 ALA 276 276 ALA ALA B . B 2 42 VAL 277 277 VAL VAL B . B 2 43 ASP 278 278 ASP ASP B . B 2 44 THR 279 279 THR THR B . B 2 45 PHE 280 280 PHE PHE B . B 2 46 PRO 281 281 PRO PRO B . B 2 47 ALA 282 282 ALA ALA B . B 2 48 ARG 283 283 ARG ARG B . B 2 49 VAL 284 284 VAL VAL B . B 2 50 ILE 285 285 ILE ILE B . B 2 51 LYS 286 286 LYS LYS B . B 2 52 HIS 287 287 HIS HIS B . B 2 53 ARG 288 288 ARG ARG B . B 2 54 ALA 289 289 ALA ALA B . B 2 55 ALA 290 290 ALA ALA B . B 2 56 PHE 291 291 PHE PHE B . B 2 57 LEU 292 292 LEU LEU B . B 2 58 GLU 293 293 GLU GLU B . B 2 59 ALA 294 294 ALA ALA B . B 2 60 LYS 295 295 LYS LYS B . B 2 61 GLY 296 296 GLY GLY B . B 2 62 GLN 297 297 GLN GLN B . B 2 63 GLY 298 298 GLY GLY B . B 2 64 ALA 299 299 ALA ALA B . B 2 65 LEU 300 300 LEU LEU B . B 2 66 ASP 301 301 ASP ASP B . B 2 67 PRO 302 302 PRO PRO B . B 2 68 ASN 303 303 ASN ASN B . B 2 69 GLY 304 304 GLY GLY B . B 2 70 THR 305 305 THR THR B . B 2 71 ARG 306 306 ARG ARG B . B 2 72 VAL 307 307 VAL VAL B . B 2 73 ARG 308 308 ARG ARG B . B 2 74 HIS 309 309 HIS HIS B . B 2 75 GLY 310 310 GLY GLY B . B 2 76 SER 311 311 SER SER B . B 2 77 GLY 312 312 GLY GLY B . B 2 78 PRO 313 313 PRO PRO B . B 2 79 PRO 314 314 PRO PRO B . B 2 80 SER 315 315 SER SER B . B 2 81 SER 316 316 SER SER B . B 2 82 GLY 317 317 GLY GLY B . B 2 83 GLY 318 318 GLY GLY B . B 2 84 GLY 319 319 GLY GLY B . B 2 85 LEU 320 320 LEU LEU B . B 2 86 TYR 321 321 TYR TYR B . B 2 87 ARG 322 322 ARG ARG B . B 2 88 ASP 323 323 ASP ASP B . B 2 89 MET 324 324 MET MET B . B 2 90 GLY 325 325 GLY GLY B . B 2 91 ALA 326 326 ALA ALA B . B 2 92 GLN 327 327 GLN GLN B . B 2 93 GLY 328 328 GLY GLY B . B 2 94 GLY 329 329 GLY GLY B . B 2 95 ARG 330 330 ARG ARG B . B 2 96 PRO 331 331 PRO PRO B . B 2 97 SER 332 332 SER SER B . B 2 98 LEU 333 333 LEU LEU B . B 2 99 ILE 334 334 ILE ILE B . B 2 100 ALA 335 335 ALA ALA B . B 2 101 ARG 336 336 ARG ARG B . B 2 102 ILE 337 337 ILE ILE B . B 2 103 PRO 338 338 PRO PRO B . B 2 104 VAL 339 339 VAL VAL B . B 2 105 ALA 340 340 ALA ALA B . B 2 106 ARG 341 341 ARG ARG B . B 2 107 ILE 342 342 ILE ILE B . B 2 108 LEU 343 343 LEU LEU B . B 2 109 GLY 344 344 GLY GLY B . B 2 110 ASP 345 345 ASP ASP B . B 2 111 PRO 346 346 PRO PRO B . B 2 112 GLU 347 347 GLU GLU B . B 2 113 GLU 348 348 GLU GLU B . B 2 114 GLU 349 349 GLU GLU B . B 2 115 SER 350 350 SER SER B . B 2 116 TRP 351 351 TRP TRP B . B 2 117 SER 352 352 SER SER B . B 2 118 PRO 353 353 PRO PRO B . B 2 119 SER 354 354 SER SER B . B 2 120 LEU 355 355 LEU LEU B . B 2 121 THR 356 356 THR THR B . B 2 122 ASN 357 357 ASN ASN B . B 2 123 LEU 358 358 LEU LEU B . B 2 124 GLU 359 359 GLU GLU B . B 2 125 LYS 360 360 LYS LYS B . B 2 126 VAL 361 361 VAL VAL B . B 2 127 VAL 362 362 VAL VAL B . B 2 128 VAL 363 363 VAL VAL B . B 2 129 THR 364 364 THR THR B . B 2 130 ASP 365 365 ASP ASP B . B 2 131 VAL 366 366 VAL VAL B . B 2 132 THR 367 367 THR THR B . B 2 133 SER 368 368 SER SER B . B 2 134 ASN 369 369 ASN ASN B . B 2 135 PHE 370 370 PHE PHE B . B 2 136 LEU 371 371 LEU LEU B . B 2 137 THR 372 372 THR THR B . B 2 138 VAL 373 373 VAL VAL B . B 2 139 THR 374 374 THR THR B . B 2 140 ILE 375 375 ILE ILE B . B 2 141 LYS 376 376 LYS LYS B . B 2 142 GLU 377 377 GLU GLU B . B 2 143 SER 378 378 SER SER B . B 2 144 ASN 379 379 ASN ASN B . B 2 145 THR 380 380 THR THR B . B 2 146 ASP 381 381 ASP ASP B . B 2 147 GLN 382 382 GLN GLN B . B 2 148 GLY 383 383 GLY GLY B . B 2 149 PHE 384 384 PHE PHE B . B 2 150 PHE 385 385 PHE PHE B . B 2 151 LYS 386 386 LYS LYS B . B 2 152 GLU 387 387 GLU GLU B . B 2 153 LYS 388 388 LYS LYS B . B 2 154 ARG 389 389 ARG ARG B . loop_ _ma_data.id _ma_data.name _ma_data.content_type 1 'Homo sapiens (Human) BCOR (Q6W2J9; 1121 - 1320)' target 2 'Homo sapiens (Human) CBX8 (Q9HC52; 236 - 389)' target 3 'Model 3' 'model coordinates' 4 'Paired MSA for the dimer' 'coevolution MSA' loop_ _ma_data_group.ordinal_id _ma_data_group.group_id _ma_data_group.data_id 1 1 1 2 1 2 3 2 1 4 2 2 5 2 4 6 3 4 7 4 3 loop_ _ma_target_entity.entity_id _ma_target_entity.data_id _ma_target_entity.origin 1 1 'reference database' 2 2 'reference database' loop_ _ma_target_entity_instance.asym_id _ma_target_entity_instance.entity_id _ma_target_entity_instance.details A 1 . B 2 . loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type _ma_protocol_step.step_name _ma_protocol_step.details _ma_protocol_step.software_group_id _ma_protocol_step.input_data_group_id _ma_protocol_step.output_data_group_id 1 1 1 'coevolution MSA' . 'Create paired MSAs for the dimers' . 1 3 2 1 2 modeling . "Model using AlphaFold ('model 3' parameters; pTM monomer version) with a 200 residue gap between the two chains, without templates and without model relaxation" 1 2 4 loop_ _ma_model_list.ordinal_id _ma_model_list.model_id _ma_model_list.model_group_id _ma_model_list.model_name _ma_model_list.model_group_name _ma_model_list.data_id _ma_model_list.model_type _ma_model_list.model_type_other_details 1 1 1 'Model 3' . 3 'Ab initio model' . 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_seq_id _atom_site.auth_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.label_asym_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.label_entity_id _atom_site.auth_asym_id _atom_site.B_iso_or_equiv _atom_site.pdbx_PDB_model_num ATOM 1 N N . ALA 1 1121 ? A 55.167 40.227 -13.826 1.000 1 A 35.896 1 ATOM 2 C CA . ALA 1 1121 ? A 55.561 41.141 -12.757 1.000 1 A 35.896 1 ATOM 3 C C . ALA 1 1121 ? A 54.453 42.147 -12.459 1.000 1 A 35.896 1 ATOM 4 O O . ALA 1 1121 ? A 54.098 42.962 -13.314 1.000 1 A 35.896 1 ATOM 5 C CB . ALA 1 1121 ? A 56.850 41.870 -13.129 1.000 1 A 35.896 1 ATOM 6 N N . SER 2 1122 ? A 53.579 41.941 -11.432 1.000 1 A 34.168 1 ATOM 7 C CA . SER 2 1122 ? A 53.216 42.734 -10.262 1.000 1 A 34.168 1 ATOM 8 C C . SER 2 1122 ? A 51.702 42.795 -10.083 1.000 1 A 34.168 1 ATOM 9 O O . SER 2 1122 ? A 50.972 43.091 -11.031 1.000 1 A 34.168 1 ATOM 10 C CB . SER 2 1122 ? A 53.781 44.150 -10.377 1.000 1 A 34.168 1 ATOM 11 O OG . SER 2 1122 ? A 53.179 44.846 -11.456 1.000 1 A 34.168 1 ATOM 12 N N . ASP 3 1123 ? A 51.146 41.961 -9.132 1.000 1 A 35.282 1 ATOM 13 C CA . ASP 3 1123 ? A 50.657 42.312 -7.802 1.000 1 A 35.282 1 ATOM 14 C C . ASP 3 1123 ? A 49.266 42.936 -7.876 1.000 1 A 35.282 1 ATOM 15 O O . ASP 3 1123 ? A 49.064 43.937 -8.567 1.000 1 A 35.282 1 ATOM 16 C CB . ASP 3 1123 ? A 51.628 43.270 -7.108 1.000 1 A 35.282 1 ATOM 17 C CG . ASP 3 1123 ? A 52.172 42.719 -5.802 1.000 1 A 35.282 1 ATOM 18 O OD1 . ASP 3 1123 ? A 51.694 41.661 -5.340 1.000 1 A 35.282 1 ATOM 19 O OD2 . ASP 3 1123 ? A 53.086 43.351 -5.229 1.000 1 A 35.282 1 ATOM 20 N N . MET 4 1124 ? A 48.204 42.173 -7.587 1.000 1 A 36.385 1 ATOM 21 C CA . MET 4 1124 ? A 47.142 42.183 -6.585 1.000 1 A 36.385 1 ATOM 22 C C . MET 4 1124 ? A 46.366 43.495 -6.628 1.000 1 A 36.385 1 ATOM 23 O O . MET 4 1124 ? A 46.962 44.574 -6.638 1.000 1 A 36.385 1 ATOM 24 C CB . MET 4 1124 ? A 47.720 41.963 -5.186 1.000 1 A 36.385 1 ATOM 25 C CG . MET 4 1124 ? A 46.820 41.145 -4.273 1.000 1 A 36.385 1 ATOM 26 S SD . MET 4 1124 ? A 45.960 39.791 -5.164 1.000 1 A 36.385 1 ATOM 27 C CE . MET 4 1124 ? A 46.913 38.364 -4.574 1.000 1 A 36.385 1 ATOM 28 N N . PRO 5 1125 ? A 45.115 43.590 -6.140 1.000 1 A 46.430 1 ATOM 29 C CA . PRO 5 1125 ? A 43.718 43.177 -5.984 1.000 1 A 46.430 1 ATOM 30 C C . PRO 5 1125 ? A 42.740 44.343 -6.113 1.000 1 A 46.430 1 ATOM 31 O O . PRO 5 1125 ? A 43.150 45.506 -6.060 1.000 1 A 46.430 1 ATOM 32 C CB . PRO 5 1125 ? A 43.681 42.587 -4.572 1.000 1 A 46.430 1 ATOM 33 C CG . PRO 5 1125 ? A 44.635 43.424 -3.782 1.000 1 A 46.430 1 ATOM 34 C CD . PRO 5 1125 ? A 45.325 44.373 -4.720 1.000 1 A 46.430 1 ATOM 35 N N . HIS 6 1126 ? A 41.569 44.191 -6.614 1.000 1 A 37.405 1 ATOM 36 C CA . HIS 6 1126 ? A 40.288 44.632 -6.073 1.000 1 A 37.405 1 ATOM 37 C C . HIS 6 1126 ? A 39.218 44.674 -7.158 1.000 1 A 37.405 1 ATOM 38 O O . HIS 6 1126 ? A 39.436 45.243 -8.230 1.000 1 A 37.405 1 ATOM 39 C CB . HIS 6 1126 ? A 40.428 46.009 -5.421 1.000 1 A 37.405 1 ATOM 40 C CG . HIS 6 1126 ? A 40.848 45.953 -3.986 1.000 1 A 37.405 1 ATOM 41 N ND1 . HIS 6 1126 ? A 40.313 45.055 -3.089 1.000 1 A 37.405 1 ATOM 42 C CD2 . HIS 6 1126 ? A 41.755 46.684 -3.296 1.000 1 A 37.405 1 ATOM 43 C CE1 . HIS 6 1126 ? A 40.873 45.237 -1.905 1.000 1 A 37.405 1 ATOM 44 N NE2 . HIS 6 1126 ? A 41.752 46.220 -2.004 1.000 1 A 37.405 1 ATOM 45 N N . SER 7 1127 ? A 38.506 43.634 -7.361 1.000 1 A 31.408 1 ATOM 46 C CA . SER 7 1127 ? A 37.052 43.527 -7.438 1.000 1 A 31.408 1 ATOM 47 C C . SER 7 1127 ? A 36.429 44.823 -7.946 1.000 1 A 31.408 1 ATOM 48 O O . SER 7 1127 ? A 36.569 45.874 -7.316 1.000 1 A 31.408 1 ATOM 49 C CB . SER 7 1127 ? A 36.467 43.173 -6.070 1.000 1 A 31.408 1 ATOM 50 O OG . SER 7 1127 ? A 35.090 43.503 -6.011 1.000 1 A 31.408 1 ATOM 51 N N . PRO 8 1128 ? A 35.924 44.862 -9.231 1.000 1 A 39.097 1 ATOM 52 C CA . PRO 8 1128 ? A 34.688 45.632 -9.392 1.000 1 A 39.097 1 ATOM 53 C C . PRO 8 1128 ? A 33.593 44.846 -10.109 1.000 1 A 39.097 1 ATOM 54 O O . PRO 8 1128 ? A 33.885 44.047 -11.003 1.000 1 A 39.097 1 ATOM 55 C CB . PRO 8 1128 ? A 35.129 46.838 -10.225 1.000 1 A 39.097 1 ATOM 56 C CG . PRO 8 1128 ? A 36.330 46.363 -10.978 1.000 1 A 39.097 1 ATOM 57 C CD . PRO 8 1128 ? A 36.571 44.922 -10.632 1.000 1 A 39.097 1 ATOM 58 N N . THR 9 1129 ? A 32.608 44.332 -9.377 1.000 1 A 32.794 1 ATOM 59 C CA . THR 9 1129 ? A 31.172 44.580 -9.443 1.000 1 A 32.794 1 ATOM 60 C C . THR 9 1129 ? A 30.862 45.712 -10.418 1.000 1 A 32.794 1 ATOM 61 O O . THR 9 1129 ? A 31.536 46.745 -10.412 1.000 1 A 32.794 1 ATOM 62 C CB . THR 9 1129 ? A 30.599 44.922 -8.055 1.000 1 A 32.794 1 ATOM 63 O OG1 . THR 9 1129 ? A 31.661 45.371 -7.204 1.000 1 A 32.794 1 ATOM 64 C CG2 . THR 9 1129 ? A 29.933 43.707 -7.420 1.000 1 A 32.794 1 ATOM 65 N N . LEU 10 1130 ? A 30.454 45.457 -11.628 1.000 1 A 34.231 1 ATOM 66 C CA . LEU 10 1130 ? A 29.470 46.362 -12.212 1.000 1 A 34.231 1 ATOM 67 C C . LEU 10 1130 ? A 29.522 46.311 -13.735 1.000 1 A 34.231 1 ATOM 68 O O . LEU 10 1130 ? A 30.567 46.573 -14.335 1.000 1 A 34.231 1 ATOM 69 C CB . LEU 10 1130 ? A 29.708 47.795 -11.729 1.000 1 A 34.231 1 ATOM 70 C CG . LEU 10 1130 ? A 29.348 48.089 -10.272 1.000 1 A 34.231 1 ATOM 71 C CD1 . LEU 10 1130 ? A 29.647 49.546 -9.935 1.000 1 A 34.231 1 ATOM 72 C CD2 . LEU 10 1130 ? A 27.882 47.763 -10.007 1.000 1 A 34.231 1 ATOM 73 N N . ARG 11 1131 ? A 28.717 45.543 -14.390 1.000 1 A 33.640 1 ATOM 74 C CA . ARG 11 1131 ? A 27.793 46.216 -15.298 1.000 1 A 33.640 1 ATOM 75 C C . ARG 11 1131 ? A 28.482 46.581 -16.609 1.000 1 A 33.640 1 ATOM 76 O O . ARG 11 1131 ? A 29.624 47.044 -16.608 1.000 1 A 33.640 1 ATOM 77 C CB . ARG 11 1131 ? A 27.215 47.472 -14.642 1.000 1 A 33.640 1 ATOM 78 C CG . ARG 11 1131 ? A 26.090 47.191 -13.659 1.000 1 A 33.640 1 ATOM 79 C CD . ARG 11 1131 ? A 24.901 48.115 -13.883 1.000 1 A 33.640 1 ATOM 80 N NE . ARG 11 1131 ? A 23.737 47.692 -13.110 1.000 1 A 33.640 1 ATOM 81 C CZ . ARG 11 1131 ? A 23.114 48.442 -12.205 1.000 1 A 33.640 1 ATOM 82 N NH1 . ARG 11 1131 ? A 23.534 49.674 -11.941 1.000 1 A 33.640 1 ATOM 83 N NH2 . ARG 11 1131 ? A 22.063 47.958 -11.560 1.000 1 A 33.640 1 ATOM 84 N N . VAL 12 1132 ? A 28.134 46.038 -17.775 1.000 1 A 31.386 1 ATOM 85 C CA . VAL 12 1132 ? A 27.900 46.868 -18.953 1.000 1 A 31.386 1 ATOM 86 C C . VAL 12 1132 ? A 28.132 46.045 -20.218 1.000 1 A 31.386 1 ATOM 87 O O . VAL 12 1132 ? A 29.140 45.344 -20.334 1.000 1 A 31.386 1 ATOM 88 C CB . VAL 12 1132 ? A 28.808 48.118 -18.956 1.000 1 A 31.386 1 ATOM 89 C CG1 . VAL 12 1132 ? A 28.084 49.312 -18.337 1.000 1 A 31.386 1 ATOM 90 C CG2 . VAL 12 1132 ? A 30.110 47.833 -18.210 1.000 1 A 31.386 1 ATOM 91 N N . ASP 13 1133 ? A 27.111 45.610 -20.897 1.000 1 A 29.672 1 ATOM 92 C CA . ASP 13 1133 ? A 26.849 46.346 -22.129 1.000 1 A 29.672 1 ATOM 93 C C . ASP 13 1133 ? A 27.672 45.789 -23.288 1.000 1 A 29.672 1 ATOM 94 O O . ASP 13 1133 ? A 28.880 45.582 -23.155 1.000 1 A 29.672 1 ATOM 95 C CB . ASP 13 1133 ? A 27.149 47.835 -21.939 1.000 1 A 29.672 1 ATOM 96 C CG . ASP 13 1133 ? A 25.897 48.694 -21.919 1.000 1 A 29.672 1 ATOM 97 O OD1 . ASP 13 1133 ? A 24.917 48.361 -22.620 1.000 1 A 29.672 1 ATOM 98 O OD2 . ASP 13 1133 ? A 25.892 49.716 -21.199 1.000 1 A 29.672 1 ATOM 99 N N . ARG 14 1134 ? A 27.058 45.168 -24.262 1.000 1 A 31.343 1 ATOM 100 C CA . ARG 14 1134 ? A 27.168 45.758 -25.593 1.000 1 A 31.343 1 ATOM 101 C C . ARG 14 1134 ? A 27.762 44.763 -26.585 1.000 1 A 31.343 1 ATOM 102 O O . ARG 14 1134 ? A 28.817 44.178 -26.330 1.000 1 A 31.343 1 ATOM 103 C CB . ARG 14 1134 ? A 28.021 47.027 -25.550 1.000 1 A 31.343 1 ATOM 104 C CG . ARG 14 1134 ? A 27.306 48.268 -26.062 1.000 1 A 31.343 1 ATOM 105 C CD . ARG 14 1134 ? A 28.155 49.520 -25.890 1.000 1 A 31.343 1 ATOM 106 N NE . ARG 14 1134 ? A 27.930 50.475 -26.971 1.000 1 A 31.343 1 ATOM 107 C CZ . ARG 14 1134 ? A 28.173 51.781 -26.891 1.000 1 A 31.343 1 ATOM 108 N NH1 . ARG 14 1134 ? A 28.655 52.314 -25.774 1.000 1 A 31.343 1 ATOM 109 N NH2 . ARG 14 1134 ? A 27.932 52.559 -27.936 1.000 1 A 31.343 1 ATOM 110 N N . LYS 15 1135 ? A 26.940 44.284 -27.572 1.000 1 A 38.339 1 ATOM 111 C CA . LYS 15 1135 ? A 26.916 44.729 -28.963 1.000 1 A 38.339 1 ATOM 112 C C . LYS 15 1135 ? A 27.635 43.734 -29.870 1.000 1 A 38.339 1 ATOM 113 O O . LYS 15 1135 ? A 28.785 43.371 -29.615 1.000 1 A 38.339 1 ATOM 114 C CB . LYS 15 1135 ? A 27.553 46.113 -29.094 1.000 1 A 38.339 1 ATOM 115 C CG . LYS 15 1135 ? A 26.639 47.257 -28.679 1.000 1 A 38.339 1 ATOM 116 C CD . LYS 15 1135 ? A 25.777 47.734 -29.840 1.000 1 A 38.339 1 ATOM 117 C CE . LYS 15 1135 ? A 24.779 48.796 -29.398 1.000 1 A 38.339 1 ATOM 118 N NZ . LYS 15 1135 ? A 23.831 49.156 -30.494 1.000 1 A 38.339 1 ATOM 119 N N . ARG 16 1136 ? A 26.800 42.996 -30.614 1.000 1 A 35.454 1 ATOM 120 C CA . ARG 16 1136 ? A 26.692 42.969 -32.069 1.000 1 A 35.454 1 ATOM 121 C C . ARG 16 1136 ? A 27.997 42.502 -32.707 1.000 1 A 35.454 1 ATOM 122 O O . ARG 16 1136 ? A 29.072 43.003 -32.370 1.000 1 A 35.454 1 ATOM 123 C CB . ARG 16 1136 ? A 26.311 44.350 -32.606 1.000 1 A 35.454 1 ATOM 124 C CG . ARG 16 1136 ? A 25.221 44.320 -33.666 1.000 1 A 35.454 1 ATOM 125 C CD . ARG 16 1136 ? A 24.929 45.710 -34.215 1.000 1 A 35.454 1 ATOM 126 N NE . ARG 16 1136 ? A 23.521 46.064 -34.064 1.000 1 A 35.454 1 ATOM 127 C CZ . ARG 16 1136 ? A 22.996 47.240 -34.396 1.000 1 A 35.454 1 ATOM 128 N NH1 . ARG 16 1136 ? A 23.756 48.203 -34.906 1.000 1 A 35.454 1 ATOM 129 N NH2 . ARG 16 1136 ? A 21.701 47.457 -34.216 1.000 1 A 35.454 1 ATOM 130 N N . LYS 17 1137 ? A 27.937 41.385 -33.533 1.000 1 A 48.822 1 ATOM 131 C CA . LYS 17 1137 ? A 28.452 41.368 -34.899 1.000 1 A 48.822 1 ATOM 132 C C . LYS 17 1137 ? A 28.125 40.049 -35.593 1.000 1 A 48.822 1 ATOM 133 O O . LYS 17 1137 ? A 28.309 38.975 -35.016 1.000 1 A 48.822 1 ATOM 134 C CB . LYS 17 1137 ? A 29.963 41.602 -34.906 1.000 1 A 48.822 1 ATOM 135 C CG . LYS 17 1137 ? A 30.389 42.915 -34.266 1.000 1 A 48.822 1 ATOM 136 C CD . LYS 17 1137 ? A 30.100 44.101 -35.177 1.000 1 A 48.822 1 ATOM 137 C CE . LYS 17 1137 ? A 30.382 45.425 -34.480 1.000 1 A 48.822 1 ATOM 138 N NZ . LYS 17 1137 ? A 29.914 46.589 -35.291 1.000 1 A 48.822 1 ATOM 139 N N . VAL 18 1138 ? A 27.159 39.946 -36.563 1.000 1 A 33.220 1 ATOM 140 C CA . VAL 18 1138 ? A 26.940 39.743 -37.992 1.000 1 A 33.220 1 ATOM 141 C C . VAL 18 1138 ? A 28.216 39.208 -38.639 1.000 1 A 33.220 1 ATOM 142 O O . VAL 18 1138 ? A 29.309 39.723 -38.389 1.000 1 A 33.220 1 ATOM 143 C CB . VAL 18 1138 ? A 26.496 41.049 -38.689 1.000 1 A 33.220 1 ATOM 144 C CG1 . VAL 18 1138 ? A 27.103 41.147 -40.087 1.000 1 A 33.220 1 ATOM 145 C CG2 . VAL 18 1138 ? A 24.972 41.124 -38.758 1.000 1 A 33.220 1 ATOM 146 N N . SER 19 1139 ? A 28.191 37.976 -39.243 1.000 1 A 38.658 1 ATOM 147 C CA . SER 19 1139 ? A 28.641 37.737 -40.611 1.000 1 A 38.658 1 ATOM 148 C C . SER 19 1139 ? A 29.018 36.274 -40.820 1.000 1 A 38.658 1 ATOM 149 O O . SER 19 1139 ? A 29.779 35.705 -40.035 1.000 1 A 38.658 1 ATOM 150 C CB . SER 19 1139 ? A 29.834 38.632 -40.947 1.000 1 A 38.658 1 ATOM 151 O OG . SER 19 1139 ? A 29.409 39.802 -41.626 1.000 1 A 38.658 1 ATOM 152 N N . GLY 20 1140 ? A 28.162 35.541 -41.584 1.000 1 A 32.755 1 ATOM 153 C CA . GLY 20 1140 ? A 28.532 35.144 -42.933 1.000 1 A 32.755 1 ATOM 154 C C . GLY 20 1140 ? A 28.683 33.643 -43.093 1.000 1 A 32.755 1 ATOM 155 O O . GLY 20 1140 ? A 29.270 32.978 -42.236 1.000 1 A 32.755 1 ATOM 156 N N . ASP 21 1141 ? A 27.696 32.937 -43.782 1.000 1 A 29.703 1 ATOM 157 C CA . ASP 21 1141 ? A 27.482 32.274 -45.065 1.000 1 A 29.703 1 ATOM 158 C C . ASP 21 1141 ? A 28.694 31.430 -45.454 1.000 1 A 29.703 1 ATOM 159 O O . ASP 21 1141 ? A 29.831 31.902 -45.396 1.000 1 A 29.703 1 ATOM 160 C CB . ASP 21 1141 ? A 27.184 33.302 -46.158 1.000 1 A 29.703 1 ATOM 161 C CG . ASP 21 1141 ? A 26.246 32.774 -47.229 1.000 1 A 29.703 1 ATOM 162 O OD1 . ASP 21 1141 ? A 25.849 31.591 -47.162 1.000 1 A 29.703 1 ATOM 163 O OD2 . ASP 21 1141 ? A 25.903 33.547 -48.149 1.000 1 A 29.703 1 ATOM 164 N N . SER 22 1142 ? A 28.597 30.082 -45.550 1.000 1 A 42.566 1 ATOM 165 C CA . SER 22 1142 ? A 29.175 29.333 -46.661 1.000 1 A 42.566 1 ATOM 166 C C . SER 22 1142 ? A 28.727 27.876 -46.637 1.000 1 A 42.566 1 ATOM 167 O O . SER 22 1142 ? A 28.783 27.220 -45.595 1.000 1 A 42.566 1 ATOM 168 C CB . SER 22 1142 ? A 30.702 29.406 -46.620 1.000 1 A 42.566 1 ATOM 169 O OG . SER 22 1142 ? A 31.272 28.117 -46.776 1.000 1 A 42.566 1 ATOM 170 N N . SER 23 1143 ? A 27.648 27.389 -47.408 1.000 1 A 30.130 1 ATOM 171 C CA . SER 23 1143 ? A 27.391 26.551 -48.575 1.000 1 A 30.130 1 ATOM 172 C C . SER 23 1143 ? A 28.543 25.582 -48.824 1.000 1 A 30.130 1 ATOM 173 O O . SER 23 1143 ? A 29.709 25.982 -48.822 1.000 1 A 30.130 1 ATOM 174 C CB . SER 23 1143 ? A 27.164 27.415 -49.816 1.000 1 A 30.130 1 ATOM 175 O OG . SER 23 1143 ? A 28.291 28.236 -50.071 1.000 1 A 30.130 1 ATOM 176 N N . HIS 24 1144 ? A 28.365 24.175 -48.649 1.000 1 A 34.410 1 ATOM 177 C CA . HIS 24 1144 ? A 28.861 23.259 -49.670 1.000 1 A 34.410 1 ATOM 178 C C . HIS 24 1144 ? A 29.031 21.851 -49.110 1.000 1 A 34.410 1 ATOM 179 O O . HIS 24 1144 ? A 29.639 21.668 -48.053 1.000 1 A 34.410 1 ATOM 180 C CB . HIS 24 1144 ? A 30.188 23.761 -50.242 1.000 1 A 34.410 1 ATOM 181 C CG . HIS 24 1144 ? A 30.414 23.369 -51.667 1.000 1 A 34.410 1 ATOM 182 N ND1 . HIS 24 1144 ? A 30.542 22.056 -52.066 1.000 1 A 34.410 1 ATOM 183 C CD2 . HIS 24 1144 ? A 30.532 24.119 -52.788 1.000 1 A 34.410 1 ATOM 184 C CE1 . HIS 24 1144 ? A 30.731 22.016 -53.374 1.000 1 A 34.410 1 ATOM 185 N NE2 . HIS 24 1144 ? A 30.729 23.254 -53.836 1.000 1 A 34.410 1 ATOM 186 N N . THR 25 1145 ? A 28.102 20.837 -49.343 1.000 1 A 38.094 1 ATOM 187 C CA . THR 25 1145 ? A 28.351 19.679 -50.195 1.000 1 A 38.094 1 ATOM 188 C C . THR 25 1145 ? A 27.539 18.476 -49.724 1.000 1 A 38.094 1 ATOM 189 O O . THR 25 1145 ? A 27.555 18.134 -48.540 1.000 1 A 38.094 1 ATOM 190 C CB . THR 25 1145 ? A 29.847 19.314 -50.218 1.000 1 A 38.094 1 ATOM 191 O OG1 . THR 25 1145 ? A 30.394 19.479 -48.904 1.000 1 A 38.094 1 ATOM 192 C CG2 . THR 25 1145 ? A 30.615 20.204 -51.190 1.000 1 A 38.094 1 ATOM 193 N N . GLU 26 1146 ? A 26.437 18.109 -50.346 1.000 1 A 31.360 1 ATOM 194 C CA . GLU 26 1146 ? A 25.741 17.076 -51.107 1.000 1 A 31.360 1 ATOM 195 C C . GLU 26 1146 ? A 26.707 15.995 -51.581 1.000 1 A 31.360 1 ATOM 196 O O . GLU 26 1146 ? A 27.680 16.287 -52.278 1.000 1 A 31.360 1 ATOM 197 C CB . GLU 26 1146 ? A 25.010 17.690 -52.304 1.000 1 A 31.360 1 ATOM 198 C CG . GLU 26 1146 ? A 23.775 18.494 -51.924 1.000 1 A 31.360 1 ATOM 199 C CD . GLU 26 1146 ? A 22.853 18.769 -53.102 1.000 1 A 31.360 1 ATOM 200 O OE1 . GLU 26 1146 ? A 21.638 18.487 -53.001 1.000 1 A 31.360 1 ATOM 201 O OE2 . GLU 26 1146 ? A 23.351 19.271 -54.134 1.000 1 A 31.360 1 ATOM 202 N N . THR 27 1147 ? A 26.874 14.760 -50.951 1.000 1 A 54.678 1 ATOM 203 C CA . THR 27 1147 ? A 27.351 13.498 -51.505 1.000 1 A 54.678 1 ATOM 204 C C . THR 27 1147 ? A 26.333 12.386 -51.273 1.000 1 A 54.678 1 ATOM 205 O O . THR 27 1147 ? A 25.976 12.092 -50.130 1.000 1 A 54.678 1 ATOM 206 C CB . THR 27 1147 ? A 28.705 13.095 -50.892 1.000 1 A 54.678 1 ATOM 207 O OG1 . THR 27 1147 ? A 29.086 14.066 -49.910 1.000 1 A 54.678 1 ATOM 208 C CG2 . THR 27 1147 ? A 29.791 13.017 -51.960 1.000 1 A 54.678 1 ATOM 209 N N . THR 28 1148 ? A 25.261 12.146 -52.137 1.000 1 A 35.249 1 ATOM 210 C CA . THR 28 1148 ? A 24.676 11.267 -53.144 1.000 1 A 35.249 1 ATOM 211 C C . THR 28 1148 ? A 25.468 9.967 -53.253 1.000 1 A 35.249 1 ATOM 212 O O . THR 28 1148 ? A 26.693 9.990 -53.390 1.000 1 A 35.249 1 ATOM 213 C CB . THR 28 1148 ? A 24.621 11.955 -54.520 1.000 1 A 35.249 1 ATOM 214 O OG1 . THR 28 1148 ? A 23.747 13.088 -54.447 1.000 1 A 35.249 1 ATOM 215 C CG2 . THR 28 1148 ? A 24.106 10.999 -55.592 1.000 1 A 35.249 1 ATOM 216 N N . ALA 29 1149 ? A 24.935 8.727 -52.808 1.000 1 A 45.026 1 ATOM 217 C CA . ALA 29 1149 ? A 24.672 7.561 -53.647 1.000 1 A 45.026 1 ATOM 218 C C . ALA 29 1149 ? A 24.814 6.268 -52.850 1.000 1 A 45.026 1 ATOM 219 O O . ALA 29 1149 ? A 25.835 6.045 -52.194 1.000 1 A 45.026 1 ATOM 220 C CB . ALA 29 1149 ? A 25.613 7.548 -54.850 1.000 1 A 45.026 1 ATOM 221 N N . GLU 30 1150 ? A 23.701 5.569 -52.499 1.000 1 A 34.380 1 ATOM 222 C CA . GLU 30 1150 ? A 23.045 4.375 -53.023 1.000 1 A 34.380 1 ATOM 223 C C . GLU 30 1150 ? A 23.952 3.153 -52.912 1.000 1 A 34.380 1 ATOM 224 O O . GLU 30 1150 ? A 25.080 3.164 -53.408 1.000 1 A 34.380 1 ATOM 225 C CB . GLU 30 1150 ? A 22.623 4.587 -54.479 1.000 1 A 34.380 1 ATOM 226 C CG . GLU 30 1150 ? A 21.216 4.100 -54.790 1.000 1 A 34.380 1 ATOM 227 C CD . GLU 30 1150 ? A 21.174 3.041 -55.879 1.000 1 A 34.380 1 ATOM 228 O OE1 . GLU 30 1150 ? A 20.518 1.992 -55.683 1.000 1 A 34.380 1 ATOM 229 O OE2 . GLU 30 1150 ? A 21.803 3.260 -56.939 1.000 1 A 34.380 1 ATOM 230 N N . GLU 31 1151 ? A 23.524 2.031 -52.118 1.000 1 A 38.303 1 ATOM 231 C CA . GLU 31 1151 ? A 23.297 0.642 -52.507 1.000 1 A 38.303 1 ATOM 232 C C . GLU 31 1151 ? A 23.791 -0.321 -51.431 1.000 1 A 38.303 1 ATOM 233 O O . GLU 31 1151 ? A 24.960 -0.278 -51.042 1.000 1 A 38.303 1 ATOM 234 C CB . GLU 31 1151 ? A 23.984 0.338 -53.841 1.000 1 A 38.303 1 ATOM 235 C CG . GLU 31 1151 ? A 23.598 -1.008 -54.438 1.000 1 A 38.303 1 ATOM 236 C CD . GLU 31 1151 ? A 24.449 -1.398 -55.637 1.000 1 A 38.303 1 ATOM 237 O OE1 . GLU 31 1151 ? A 24.717 -2.606 -55.823 1.000 1 A 38.303 1 ATOM 238 O OE2 . GLU 31 1151 ? A 24.852 -0.487 -56.394 1.000 1 A 38.303 1 ATOM 239 N N . VAL 32 1152 ? A 23.025 -0.905 -50.619 1.000 1 A 38.504 1 ATOM 240 C CA . VAL 32 1152 ? A 22.666 -2.198 -50.046 1.000 1 A 38.504 1 ATOM 241 C C . VAL 32 1152 ? A 23.474 -3.305 -50.720 1.000 1 A 38.504 1 ATOM 242 O O . VAL 32 1152 ? A 23.670 -3.285 -51.937 1.000 1 A 38.504 1 ATOM 243 C CB . VAL 32 1152 ? A 21.153 -2.481 -50.187 1.000 1 A 38.504 1 ATOM 244 C CG1 . VAL 32 1152 ? A 20.828 -3.908 -49.750 1.000 1 A 38.504 1 ATOM 245 C CG2 . VAL 32 1152 ? A 20.344 -1.472 -49.374 1.000 1 A 38.504 1 ATOM 246 N N . PRO 33 1153 ? A 23.935 -4.424 -50.009 1.000 1 A 45.026 1 ATOM 247 C CA . PRO 33 1153 ? A 23.431 -5.397 -49.036 1.000 1 A 45.026 1 ATOM 248 C C . PRO 33 1153 ? A 24.550 -6.136 -48.307 1.000 1 A 45.026 1 ATOM 249 O O . PRO 33 1153 ? A 25.673 -6.217 -48.811 1.000 1 A 45.026 1 ATOM 250 C CB . PRO 33 1153 ? A 22.609 -6.361 -49.895 1.000 1 A 45.026 1 ATOM 251 C CG . PRO 33 1153 ? A 23.345 -6.439 -51.193 1.000 1 A 45.026 1 ATOM 252 C CD . PRO 33 1153 ? A 24.479 -5.454 -51.159 1.000 1 A 45.026 1 ATOM 253 N N . GLU 34 1154 ? A 24.578 -6.420 -47.062 1.000 1 A 39.044 1 ATOM 254 C CA . GLU 34 1154 ? A 24.633 -7.573 -46.169 1.000 1 A 39.044 1 ATOM 255 C C . GLU 34 1154 ? A 25.671 -8.587 -46.641 1.000 1 A 39.044 1 ATOM 256 O O . GLU 34 1154 ? A 25.569 -9.119 -47.748 1.000 1 A 39.044 1 ATOM 257 C CB . GLU 34 1154 ? A 23.258 -8.238 -46.065 1.000 1 A 39.044 1 ATOM 258 C CG . GLU 34 1154 ? A 22.365 -7.637 -44.990 1.000 1 A 39.044 1 ATOM 259 C CD . GLU 34 1154 ? A 21.519 -8.673 -44.264 1.000 1 A 39.044 1 ATOM 260 O OE1 . GLU 34 1154 ? A 21.651 -8.805 -43.026 1.000 1 A 39.044 1 ATOM 261 O OE2 . GLU 34 1154 ? A 20.720 -9.358 -44.940 1.000 1 A 39.044 1 ATOM 262 N N . ASP 35 1155 ? A 26.912 -8.682 -46.044 1.000 1 A 44.178 1 ATOM 263 C CA . ASP 35 1155 ? A 27.901 -9.740 -45.858 1.000 1 A 44.178 1 ATOM 264 C C . ASP 35 1155 ? A 28.324 -9.845 -44.395 1.000 1 A 44.178 1 ATOM 265 O O . ASP 35 1155 ? A 28.879 -8.898 -43.834 1.000 1 A 44.178 1 ATOM 266 C CB . ASP 35 1155 ? A 29.124 -9.492 -46.743 1.000 1 A 44.178 1 ATOM 267 C CG . ASP 35 1155 ? A 29.827 -10.773 -47.156 1.000 1 A 44.178 1 ATOM 268 O OD1 . ASP 35 1155 ? A 29.352 -11.872 -46.797 1.000 1 A 44.178 1 ATOM 269 O OD2 . ASP 35 1155 ? A 30.867 -10.683 -47.844 1.000 1 A 44.178 1 ATOM 270 N N . PRO 36 1156 ? A 27.961 -10.933 -43.490 1.000 1 A 46.624 1 ATOM 271 C CA . PRO 36 1156 ? A 28.382 -11.621 -42.268 1.000 1 A 46.624 1 ATOM 272 C C . PRO 36 1156 ? A 29.713 -12.351 -42.430 1.000 1 A 46.624 1 ATOM 273 O O . PRO 36 1156 ? A 29.853 -13.198 -43.315 1.000 1 A 46.624 1 ATOM 274 C CB . PRO 36 1156 ? A 27.244 -12.612 -42.012 1.000 1 A 46.624 1 ATOM 275 C CG . PRO 36 1156 ? A 26.265 -12.363 -43.114 1.000 1 A 46.624 1 ATOM 276 C CD . PRO 36 1156 ? A 26.953 -11.578 -44.194 1.000 1 A 46.624 1 ATOM 277 N N . LEU 37 1157 ? A 30.900 -11.835 -41.982 1.000 1 A 41.144 1 ATOM 278 C CA . LEU 37 1157 ? A 32.041 -12.692 -41.677 1.000 1 A 41.144 1 ATOM 279 C C . LEU 37 1157 ? A 33.262 -11.858 -41.303 1.000 1 A 41.144 1 ATOM 280 O O . LEU 37 1157 ? A 33.786 -11.110 -42.132 1.000 1 A 41.144 1 ATOM 281 C CB . LEU 37 1157 ? A 32.369 -13.592 -42.871 1.000 1 A 41.144 1 ATOM 282 C CG . LEU 37 1157 ? A 31.719 -14.977 -42.874 1.000 1 A 41.144 1 ATOM 283 C CD1 . LEU 37 1157 ? A 30.930 -15.189 -44.162 1.000 1 A 41.144 1 ATOM 284 C CD2 . LEU 37 1157 ? A 32.775 -16.064 -42.703 1.000 1 A 41.144 1 ATOM 285 N N . LEU 38 1158 ? A 33.501 -11.351 -40.164 1.000 1 A 46.187 1 ATOM 286 C CA . LEU 38 1158 ? A 34.824 -11.647 -39.626 1.000 1 A 46.187 1 ATOM 287 C C . LEU 38 1158 ? A 34.974 -11.088 -38.215 1.000 1 A 46.187 1 ATOM 288 O O . LEU 38 1158 ? A 34.821 -9.884 -37.999 1.000 1 A 46.187 1 ATOM 289 C CB . LEU 38 1158 ? A 35.913 -11.069 -40.534 1.000 1 A 46.187 1 ATOM 290 C CG . LEU 38 1158 ? A 35.947 -11.594 -41.970 1.000 1 A 46.187 1 ATOM 291 C CD1 . LEU 38 1158 ? A 36.938 -10.789 -42.805 1.000 1 A 46.187 1 ATOM 292 C CD2 . LEU 38 1158 ? A 36.303 -13.076 -41.990 1.000 1 A 46.187 1 ATOM 293 N N . LYS 39 1159 ? A 34.662 -11.739 -37.190 1.000 1 A 41.986 1 ATOM 294 C CA . LYS 39 1159 ? A 35.706 -12.372 -36.388 1.000 1 A 41.986 1 ATOM 295 C C . LYS 39 1159 ? A 36.632 -11.329 -35.770 1.000 1 A 41.986 1 ATOM 296 O O . LYS 39 1159 ? A 37.395 -10.670 -36.479 1.000 1 A 41.986 1 ATOM 297 C CB . LYS 39 1159 ? A 36.514 -13.353 -37.238 1.000 1 A 41.986 1 ATOM 298 C CG . LYS 39 1159 ? A 35.751 -14.611 -37.626 1.000 1 A 41.986 1 ATOM 299 C CD . LYS 39 1159 ? A 36.520 -15.870 -37.247 1.000 1 A 41.986 1 ATOM 300 C CE . LYS 39 1159 ? A 35.813 -17.127 -37.737 1.000 1 A 41.986 1 ATOM 301 N NZ . LYS 39 1159 ? A 36.655 -18.346 -37.545 1.000 1 A 41.986 1 ATOM 302 N N . ALA 40 1160 ? A 36.289 -10.676 -34.556 1.000 1 A 53.081 1 ATOM 303 C CA . ALA 40 1160 ? A 37.390 -10.379 -33.644 1.000 1 A 53.081 1 ATOM 304 C C . ALA 40 1160 ? A 36.924 -10.419 -32.191 1.000 1 A 53.081 1 ATOM 305 O O . ALA 40 1160 ? A 35.937 -9.773 -31.831 1.000 1 A 53.081 1 ATOM 306 C CB . ALA 40 1160 ? A 37.996 -9.015 -33.968 1.000 1 A 53.081 1 ATOM 307 N N . LYS 41 1161 ? A 36.790 -11.510 -31.451 1.000 1 A 38.421 1 ATOM 308 C CA . LYS 41 1161 ? A 37.616 -11.863 -30.301 1.000 1 A 38.421 1 ATOM 309 C C . LYS 41 1161 ? A 37.239 -11.033 -29.077 1.000 1 A 38.421 1 ATOM 310 O O . LYS 41 1161 ? A 37.201 -9.803 -29.143 1.000 1 A 38.421 1 ATOM 311 C CB . LYS 41 1161 ? A 39.099 -11.674 -30.626 1.000 1 A 38.421 1 ATOM 312 C CG . LYS 41 1161 ? A 40.029 -12.561 -29.812 1.000 1 A 38.421 1 ATOM 313 C CD . LYS 41 1161 ? A 41.429 -12.600 -30.410 1.000 1 A 38.421 1 ATOM 314 C CE . LYS 41 1161 ? A 42.456 -13.094 -29.400 1.000 1 A 38.421 1 ATOM 315 N NZ . LYS 41 1161 ? A 43.824 -13.173 -29.995 1.000 1 A 38.421 1 ATOM 316 N N . ARG 42 1162 ? A 36.249 -11.378 -28.302 1.000 1 A 50.020 1 ATOM 317 C CA . ARG 42 1162 ? A 36.155 -11.493 -26.850 1.000 1 A 50.020 1 ATOM 318 C C . ARG 42 1162 ? A 34.705 -11.409 -26.387 1.000 1 A 50.020 1 ATOM 319 O O . ARG 42 1162 ? A 33.967 -10.511 -26.800 1.000 1 A 50.020 1 ATOM 320 C CB . ARG 42 1162 ? A 36.988 -10.405 -26.170 1.000 1 A 50.020 1 ATOM 321 C CG . ARG 42 1162 ? A 38.422 -10.817 -25.880 1.000 1 A 50.020 1 ATOM 322 C CD . ARG 42 1162 ? A 39.211 -9.691 -25.226 1.000 1 A 50.020 1 ATOM 323 N NE . ARG 42 1162 ? A 39.046 -9.689 -23.776 1.000 1 A 50.020 1 ATOM 324 C CZ . ARG 42 1162 ? A 39.462 -8.718 -22.967 1.000 1 A 50.020 1 ATOM 325 N NH1 . ARG 42 1162 ? A 40.078 -7.647 -23.454 1.000 1 A 50.020 1 ATOM 326 N NH2 . ARG 42 1162 ? A 39.260 -8.817 -21.661 1.000 1 A 50.020 1 ATOM 327 N N . ARG 43 1163 ? A 34.024 -12.483 -26.461 1.000 1 A 44.222 1 ATOM 328 C CA . ARG 43 1163 ? A 33.022 -13.131 -25.622 1.000 1 A 44.222 1 ATOM 329 C C . ARG 43 1163 ? A 32.480 -12.167 -24.572 1.000 1 A 44.222 1 ATOM 330 O O . ARG 43 1163 ? A 33.240 -11.633 -23.761 1.000 1 A 44.222 1 ATOM 331 C CB . ARG 43 1163 ? A 33.609 -14.370 -24.942 1.000 1 A 44.222 1 ATOM 332 C CG . ARG 43 1163 ? A 33.192 -15.682 -25.587 1.000 1 A 44.222 1 ATOM 333 C CD . ARG 43 1163 ? A 33.718 -16.883 -24.814 1.000 1 A 44.222 1 ATOM 334 N NE . ARG 43 1163 ? A 32.631 -17.717 -24.308 1.000 1 A 44.222 1 ATOM 335 C CZ . ARG 43 1163 ? A 32.503 -18.112 -23.044 1.000 1 A 44.222 1 ATOM 336 N NH1 . ARG 43 1163 ? A 33.396 -17.755 -22.129 1.000 1 A 44.222 1 ATOM 337 N NH2 . ARG 43 1163 ? A 31.475 -18.870 -22.693 1.000 1 A 44.222 1 ATOM 338 N N . ARG 44 1164 ? A 31.782 -11.140 -24.887 1.000 1 A 49.125 1 ATOM 339 C CA . ARG 44 1164 ? A 30.792 -10.413 -24.098 1.000 1 A 49.125 1 ATOM 340 C C . ARG 44 1164 ? A 29.628 -11.319 -23.712 1.000 1 A 49.125 1 ATOM 341 O O . ARG 44 1164 ? A 28.953 -11.875 -24.581 1.000 1 A 49.125 1 ATOM 342 C CB . ARG 44 1164 ? A 30.277 -9.197 -24.870 1.000 1 A 49.125 1 ATOM 343 C CG . ARG 44 1164 ? A 31.239 -8.019 -24.877 1.000 1 A 49.125 1 ATOM 344 C CD . ARG 44 1164 ? A 30.554 -6.735 -25.323 1.000 1 A 49.125 1 ATOM 345 N NE . ARG 44 1164 ? A 31.514 -5.652 -25.518 1.000 1 A 49.125 1 ATOM 346 C CZ . ARG 44 1164 ? A 31.203 -4.359 -25.550 1.000 1 A 49.125 1 ATOM 347 N NH1 . ARG 44 1164 ? A 29.945 -3.961 -25.399 1.000 1 A 49.125 1 ATOM 348 N NH2 . ARG 44 1164 ? A 32.156 -3.457 -25.734 1.000 1 A 49.125 1 ATOM 349 N N . VAL 45 1165 ? A 29.913 -12.422 -22.908 1.000 1 A 46.898 1 ATOM 350 C CA . VAL 45 1165 ? A 28.928 -13.116 -22.086 1.000 1 A 46.898 1 ATOM 351 C C . VAL 45 1165 ? A 27.919 -12.114 -21.530 1.000 1 A 46.898 1 ATOM 352 O O . VAL 45 1165 ? A 28.301 -11.083 -20.971 1.000 1 A 46.898 1 ATOM 353 C CB . VAL 45 1165 ? A 29.599 -13.893 -20.930 1.000 1 A 46.898 1 ATOM 354 C CG1 . VAL 45 1165 ? A 29.192 -15.365 -20.962 1.000 1 A 46.898 1 ATOM 355 C CG2 . VAL 45 1165 ? A 31.118 -13.752 -21.005 1.000 1 A 46.898 1 ATOM 356 N N . SER 46 1166 ? A 26.992 -11.545 -22.236 1.000 1 A 47.391 1 ATOM 357 C CA . SER 46 1166 ? A 25.600 -11.266 -21.899 1.000 1 A 47.391 1 ATOM 358 C C . SER 46 1166 ? A 25.271 -11.725 -20.482 1.000 1 A 47.391 1 ATOM 359 O O . SER 46 1166 ? A 25.315 -12.921 -20.186 1.000 1 A 47.391 1 ATOM 360 C CB . SER 46 1166 ? A 24.661 -11.945 -22.895 1.000 1 A 47.391 1 ATOM 361 O OG . SER 46 1166 ? A 24.790 -13.355 -22.828 1.000 1 A 47.391 1 ATOM 362 N N . LYS 47 1167 ? A 25.864 -11.238 -19.518 1.000 1 A 49.098 1 ATOM 363 C CA . LYS 47 1167 ? A 25.488 -11.066 -18.118 1.000 1 A 49.098 1 ATOM 364 C C . LYS 47 1167 ? A 24.175 -10.298 -17.992 1.000 1 A 49.098 1 ATOM 365 O O . LYS 47 1167 ? A 24.151 -9.182 -17.469 1.000 1 A 49.098 1 ATOM 366 C CB . LYS 47 1167 ? A 26.595 -10.342 -17.350 1.000 1 A 49.098 1 ATOM 367 C CG . LYS 47 1167 ? A 26.420 -10.371 -15.839 1.000 1 A 49.098 1 ATOM 368 C CD . LYS 47 1167 ? A 27.762 -10.454 -15.123 1.000 1 A 49.098 1 ATOM 369 C CE . LYS 47 1167 ? A 27.589 -10.480 -13.610 1.000 1 A 49.098 1 ATOM 370 N NZ . LYS 47 1167 ? A 28.904 -10.459 -12.902 1.000 1 A 49.098 1 ATOM 371 N N . ASP 48 1168 ? A 23.213 -10.519 -18.841 1.000 1 A 46.429 1 ATOM 372 C CA . ASP 48 1168 ? A 21.840 -10.091 -18.590 1.000 1 A 46.429 1 ATOM 373 C C . ASP 48 1168 ? A 20.844 -10.972 -19.340 1.000 1 A 46.429 1 ATOM 374 O O . ASP 48 1168 ? A 20.140 -10.499 -20.235 1.000 1 A 46.429 1 ATOM 375 C CB . ASP 48 1168 ? A 21.653 -8.626 -18.991 1.000 1 A 46.429 1 ATOM 376 C CG . ASP 48 1168 ? A 20.612 -7.909 -18.149 1.000 1 A 46.429 1 ATOM 377 O OD1 . ASP 48 1168 ? A 20.321 -8.363 -17.022 1.000 1 A 46.429 1 ATOM 378 O OD2 . ASP 48 1168 ? A 20.075 -6.883 -18.619 1.000 1 A 46.429 1 ATOM 379 N N . ASP 49 1169 ? A 21.171 -12.252 -19.441 1.000 1 A 46.692 1 ATOM 380 C CA . ASP 49 1169 ? A 20.226 -13.258 -19.916 1.000 1 A 46.692 1 ATOM 381 C C . ASP 49 1169 ? A 19.689 -14.097 -18.758 1.000 1 A 46.692 1 ATOM 382 O O . ASP 49 1169 ? A 20.427 -14.880 -18.157 1.000 1 A 46.692 1 ATOM 383 C CB . ASP 49 1169 ? A 20.885 -14.163 -20.959 1.000 1 A 46.692 1 ATOM 384 C CG . ASP 49 1169 ? A 19.911 -14.659 -22.013 1.000 1 A 46.692 1 ATOM 385 O OD1 . ASP 49 1169 ? A 18.834 -14.049 -22.184 1.000 1 A 46.692 1 ATOM 386 O OD2 . ASP 49 1169 ? A 20.223 -15.672 -22.677 1.000 1 A 46.692 1 ATOM 387 N N . TRP 50 1170 ? A 19.118 -13.429 -17.781 1.000 1 A 38.383 1 ATOM 388 C CA . TRP 50 1170 ? A 18.298 -14.209 -16.859 1.000 1 A 38.383 1 ATOM 389 C C . TRP 50 1170 ? A 17.406 -15.186 -17.618 1.000 1 A 38.383 1 ATOM 390 O O . TRP 50 1170 ? A 16.747 -14.808 -18.590 1.000 1 A 38.383 1 ATOM 391 C CB . TRP 50 1170 ? A 17.441 -13.286 -15.988 1.000 1 A 38.383 1 ATOM 392 C CG . TRP 50 1170 ? A 18.236 -12.371 -15.105 1.000 1 A 38.383 1 ATOM 393 C CD1 . TRP 50 1170 ? A 18.475 -11.040 -15.302 1.000 1 A 38.383 1 ATOM 394 C CD2 . TRP 50 1170 ? A 18.900 -12.723 -13.888 1.000 1 A 38.383 1 ATOM 395 N NE1 . TRP 50 1170 ? A 19.248 -10.542 -14.278 1.000 1 A 38.383 1 ATOM 396 C CE2 . TRP 50 1170 ? A 19.522 -11.554 -13.398 1.000 1 A 38.383 1 ATOM 397 C CE3 . TRP 50 1170 ? A 19.029 -13.915 -13.162 1.000 1 A 38.383 1 ATOM 398 C CZ2 . TRP 50 1170 ? A 20.263 -11.542 -12.214 1.000 1 A 38.383 1 ATOM 399 C CZ3 . TRP 50 1170 ? A 19.766 -13.902 -11.984 1.000 1 A 38.383 1 ATOM 400 C CH2 . TRP 50 1170 ? A 20.374 -12.722 -11.524 1.000 1 A 38.383 1 ATOM 401 N N . PRO 51 1171 ? A 17.740 -16.566 -17.838 1.000 1 A 45.113 1 ATOM 402 C CA . PRO 51 1171 ? A 17.114 -17.524 -18.751 1.000 1 A 45.113 1 ATOM 403 C C . PRO 51 1171 ? A 15.601 -17.338 -18.854 1.000 1 A 45.113 1 ATOM 404 O O . PRO 51 1171 ? A 14.918 -17.232 -17.833 1.000 1 A 45.113 1 ATOM 405 C CB . PRO 51 1171 ? A 17.456 -18.880 -18.129 1.000 1 A 45.113 1 ATOM 406 C CG . PRO 51 1171 ? A 17.715 -18.584 -16.687 1.000 1 A 45.113 1 ATOM 407 C CD . PRO 51 1171 ? A 17.514 -17.114 -16.458 1.000 1 A 45.113 1 ATOM 408 N N . GLU 52 1172 ? A 15.145 -16.366 -19.524 1.000 1 A 52.419 1 ATOM 409 C CA . GLU 52 1172 ? A 13.973 -16.726 -20.316 1.000 1 A 52.419 1 ATOM 410 C C . GLU 52 1172 ? A 13.886 -18.236 -20.518 1.000 1 A 52.419 1 ATOM 411 O O . GLU 52 1172 ? A 13.791 -18.711 -21.652 1.000 1 A 52.419 1 ATOM 412 C CB . GLU 52 1172 ? A 13.999 -16.014 -21.671 1.000 1 A 52.419 1 ATOM 413 C CG . GLU 52 1172 ? A 12.637 -15.515 -22.130 1.000 1 A 52.419 1 ATOM 414 C CD . GLU 52 1172 ? A 12.635 -15.014 -23.566 1.000 1 A 52.419 1 ATOM 415 O OE1 . GLU 52 1172 ? A 11.559 -15.012 -24.206 1.000 1 A 52.419 1 ATOM 416 O OE2 . GLU 52 1172 ? A 13.718 -14.620 -24.054 1.000 1 A 52.419 1 ATOM 417 N N . ARG 53 1173 ? A 14.449 -19.159 -19.516 1.000 1 A 51.359 1 ATOM 418 C CA . ARG 53 1173 ? A 14.114 -20.566 -19.707 1.000 1 A 51.359 1 ATOM 419 C C . ARG 53 1173 ? A 12.612 -20.795 -19.576 1.000 1 A 51.359 1 ATOM 420 O O . ARG 53 1173 ? A 11.983 -20.300 -18.638 1.000 1 A 51.359 1 ATOM 421 C CB . ARG 53 1173 ? A 14.867 -21.440 -18.700 1.000 1 A 51.359 1 ATOM 422 C CG . ARG 53 1173 ? A 14.287 -22.836 -18.543 1.000 1 A 51.359 1 ATOM 423 C CD . ARG 53 1173 ? A 14.988 -23.616 -17.438 1.000 1 A 51.359 1 ATOM 424 N NE . ARG 53 1173 ? A 16.299 -24.096 -17.866 1.000 1 A 51.359 1 ATOM 425 C CZ . ARG 53 1173 ? A 16.805 -25.288 -17.563 1.000 1 A 51.359 1 ATOM 426 N NH1 . ARG 53 1173 ? A 16.117 -26.149 -16.822 1.000 1 A 51.359 1 ATOM 427 N NH2 . ARG 53 1173 ? A 18.009 -25.622 -18.005 1.000 1 A 51.359 1 ATOM 428 N N . GLU 54 1174 ? A 11.860 -20.393 -20.467 1.000 1 A 52.494 1 ATOM 429 C CA . GLU 54 1174 ? A 10.695 -21.125 -20.955 1.000 1 A 52.494 1 ATOM 430 C C . GLU 54 1174 ? A 10.055 -21.949 -19.841 1.000 1 A 52.494 1 ATOM 431 O O . GLU 54 1174 ? A 10.706 -22.809 -19.245 1.000 1 A 52.494 1 ATOM 432 C CB . GLU 54 1174 ? A 11.081 -22.033 -22.125 1.000 1 A 52.494 1 ATOM 433 C CG . GLU 54 1174 ? A 10.710 -21.470 -23.489 1.000 1 A 52.494 1 ATOM 434 C CD . GLU 54 1174 ? A 11.867 -21.475 -24.475 1.000 1 A 52.494 1 ATOM 435 O OE1 . GLU 54 1174 ? A 11.795 -20.757 -25.499 1.000 1 A 52.494 1 ATOM 436 O OE2 . GLU 54 1174 ? A 12.853 -22.202 -24.223 1.000 1 A 52.494 1 ATOM 437 N N . MET 55 1175 ? A 9.605 -21.320 -18.717 1.000 1 A 51.586 1 ATOM 438 C CA . MET 55 1175 ? A 8.711 -22.026 -17.803 1.000 1 A 51.586 1 ATOM 439 C C . MET 55 1175 ? A 7.547 -22.658 -18.560 1.000 1 A 51.586 1 ATOM 440 O O . MET 55 1175 ? A 6.652 -21.954 -19.030 1.000 1 A 51.586 1 ATOM 441 C CB . MET 55 1175 ? A 8.181 -21.076 -16.727 1.000 1 A 51.586 1 ATOM 442 C CG . MET 55 1175 ? A 9.013 -21.067 -15.455 1.000 1 A 51.586 1 ATOM 443 S SD . MET 55 1175 ? A 10.453 -19.935 -15.565 1.000 1 A 51.586 1 ATOM 444 C CE . MET 55 1175 ? A 10.109 -18.842 -14.157 1.000 1 A 51.586 1 ATOM 445 N N . THR 56 1176 ? A 7.753 -23.277 -19.840 1.000 1 A 48.628 1 ATOM 446 C CA . THR 56 1176 ? A 6.877 -24.323 -20.355 1.000 1 A 48.628 1 ATOM 447 C C . THR 56 1176 ? A 6.454 -25.273 -19.237 1.000 1 A 48.628 1 ATOM 448 O O . THR 56 1176 ? A 7.268 -25.640 -18.387 1.000 1 A 48.628 1 ATOM 449 C CB . THR 56 1176 ? A 7.561 -25.122 -21.479 1.000 1 A 48.628 1 ATOM 450 O OG1 . THR 56 1176 ? A 8.983 -24.991 -21.353 1.000 1 A 48.628 1 ATOM 451 C CG2 . THR 56 1176 ? A 7.135 -24.615 -22.853 1.000 1 A 48.628 1 ATOM 452 N N . ASN 57 1177 ? A 5.491 -24.882 -18.426 1.000 1 A 45.233 1 ATOM 453 C CA . ASN 57 1177 ? A 4.450 -25.721 -17.841 1.000 1 A 45.233 1 ATOM 454 C C . ASN 57 1177 ? A 4.779 -27.204 -17.984 1.000 1 A 45.233 1 ATOM 455 O O . ASN 57 1177 ? A 4.568 -27.791 -19.047 1.000 1 A 45.233 1 ATOM 456 C CB . ASN 57 1177 ? A 3.093 -25.414 -18.477 1.000 1 A 45.233 1 ATOM 457 C CG . ASN 57 1177 ? A 2.746 -23.939 -18.430 1.000 1 A 45.233 1 ATOM 458 O OD1 . ASN 57 1177 ? A 3.184 -23.214 -17.533 1.000 1 A 45.233 1 ATOM 459 N ND2 . ASN 57 1177 ? A 1.957 -23.485 -19.396 1.000 1 A 45.233 1 ATOM 460 N N . SER 58 1178 ? A 6.012 -27.634 -17.610 1.000 1 A 35.424 1 ATOM 461 C CA . SER 58 1178 ? A 5.982 -29.090 -17.509 1.000 1 A 35.424 1 ATOM 462 C C . SER 58 1178 ? A 5.308 -29.540 -16.217 1.000 1 A 35.424 1 ATOM 463 O O . SER 58 1178 ? A 5.893 -29.436 -15.137 1.000 1 A 35.424 1 ATOM 464 C CB . SER 58 1178 ? A 7.399 -29.662 -17.581 1.000 1 A 35.424 1 ATOM 465 O OG . SER 58 1178 ? A 8.207 -28.895 -18.458 1.000 1 A 35.424 1 ATOM 466 N N . SER 59 1179 ? A 4.143 -29.147 -15.933 1.000 1 A 46.935 1 ATOM 467 C CA . SER 59 1179 ? A 3.262 -29.823 -14.986 1.000 1 A 46.935 1 ATOM 468 C C . SER 59 1179 ? A 2.734 -31.133 -15.559 1.000 1 A 46.935 1 ATOM 469 O O . SER 59 1179 ? A 1.960 -31.130 -16.519 1.000 1 A 46.935 1 ATOM 470 C CB . SER 59 1179 ? A 2.092 -28.917 -14.601 1.000 1 A 46.935 1 ATOM 471 O OG . SER 59 1179 ? A 0.899 -29.669 -14.457 1.000 1 A 46.935 1 ATOM 472 N N . SER 60 1180 ? A 3.609 -32.043 -16.138 1.000 1 A 45.631 1 ATOM 473 C CA . SER 60 1180 ? A 2.974 -33.337 -16.364 1.000 1 A 45.631 1 ATOM 474 C C . SER 60 1180 ? A 3.857 -34.479 -15.875 1.000 1 A 45.631 1 ATOM 475 O O . SER 60 1180 ? A 5.056 -34.510 -16.161 1.000 1 A 45.631 1 ATOM 476 C CB . SER 60 1180 ? A 2.656 -33.527 -17.848 1.000 1 A 45.631 1 ATOM 477 O OG . SER 60 1180 ? A 2.312 -34.874 -18.120 1.000 1 A 45.631 1 ATOM 478 N N . ASN 61 1181 ? A 3.964 -34.784 -14.564 1.000 1 A 39.027 1 ATOM 479 C CA . ASN 61 1181 ? A 3.935 -36.095 -13.924 1.000 1 A 39.027 1 ATOM 480 C C . ASN 61 1181 ? A 5.289 -36.453 -13.319 1.000 1 A 39.027 1 ATOM 481 O O . ASN 61 1181 ? A 6.011 -37.295 -13.856 1.000 1 A 39.027 1 ATOM 482 C CB . ASN 61 1181 ? A 3.498 -37.170 -14.921 1.000 1 A 39.027 1 ATOM 483 C CG . ASN 61 1181 ? A 1.990 -37.286 -15.032 1.000 1 A 39.027 1 ATOM 484 O OD1 . ASN 61 1181 ? A 1.297 -37.496 -14.033 1.000 1 A 39.027 1 ATOM 485 N ND2 . ASN 61 1181 ? A 1.472 -37.148 -16.247 1.000 1 A 39.027 1 ATOM 486 N N . HIS 62 1182 ? A 5.861 -35.771 -12.347 1.000 1 A 45.009 1 ATOM 487 C CA . HIS 62 1182 ? A 7.017 -36.429 -11.749 1.000 1 A 45.009 1 ATOM 488 C C . HIS 62 1182 ? A 6.749 -36.798 -10.294 1.000 1 A 45.009 1 ATOM 489 O O . HIS 62 1182 ? A 6.547 -35.919 -9.453 1.000 1 A 45.009 1 ATOM 490 C CB . HIS 62 1182 ? A 8.253 -35.533 -11.845 1.000 1 A 45.009 1 ATOM 491 C CG . HIS 62 1182 ? A 9.502 -36.177 -11.332 1.000 1 A 45.009 1 ATOM 492 N ND1 . HIS 62 1182 ? A 9.859 -36.153 -10.001 1.000 1 A 45.009 1 ATOM 493 C CD2 . HIS 62 1182 ? A 10.476 -36.864 -11.974 1.000 1 A 45.009 1 ATOM 494 C CE1 . HIS 62 1182 ? A 11.003 -36.800 -9.847 1.000 1 A 45.009 1 ATOM 495 N NE2 . HIS 62 1182 ? A 11.398 -37.241 -11.029 1.000 1 A 45.009 1 ATOM 496 N N . LEU 63 1183 ? A 5.704 -37.524 -10.006 1.000 1 A 47.132 1 ATOM 497 C CA . LEU 63 1183 ? A 5.492 -38.570 -9.012 1.000 1 A 47.132 1 ATOM 498 C C . LEU 63 1183 ? A 6.820 -39.054 -8.441 1.000 1 A 47.132 1 ATOM 499 O O . LEU 63 1183 ? A 7.749 -39.361 -9.192 1.000 1 A 47.132 1 ATOM 500 C CB . LEU 63 1183 ? A 4.729 -39.746 -9.627 1.000 1 A 47.132 1 ATOM 501 C CG . LEU 63 1183 ? A 4.049 -40.701 -8.644 1.000 1 A 47.132 1 ATOM 502 C CD1 . LEU 63 1183 ? A 2.833 -40.032 -8.011 1.000 1 A 47.132 1 ATOM 503 C CD2 . LEU 63 1183 ? A 3.649 -41.995 -9.345 1.000 1 A 47.132 1 ATOM 504 N N . GLU 64 1184 ? A 7.690 -38.307 -7.662 1.000 1 A 46.297 1 ATOM 505 C CA . GLU 64 1184 ? A 8.455 -38.861 -6.549 1.000 1 A 46.297 1 ATOM 506 C C . GLU 64 1184 ? A 9.636 -37.963 -6.190 1.000 1 A 46.297 1 ATOM 507 O O . GLU 64 1184 ? A 10.705 -38.452 -5.821 1.000 1 A 46.297 1 ATOM 508 C CB . GLU 64 1184 ? A 8.949 -40.270 -6.884 1.000 1 A 46.297 1 ATOM 509 C CG . GLU 64 1184 ? A 7.831 -41.263 -7.168 1.000 1 A 46.297 1 ATOM 510 C CD . GLU 64 1184 ? A 7.667 -42.310 -6.078 1.000 1 A 46.297 1 ATOM 511 O OE1 . GLU 64 1184 ? A 6.518 -42.571 -5.654 1.000 1 A 46.297 1 ATOM 512 O OE2 . GLU 64 1184 ? A 8.696 -42.874 -5.644 1.000 1 A 46.297 1 ATOM 513 N N . ASP 65 1185 ? A 9.395 -36.627 -6.035 1.000 1 A 44.891 1 ATOM 514 C CA . ASP 65 1185 ? A 10.458 -36.055 -5.215 1.000 1 A 44.891 1 ATOM 515 C C . ASP 65 1185 ? A 9.894 -35.079 -4.186 1.000 1 A 44.891 1 ATOM 516 O O . ASP 65 1185 ? A 9.268 -34.080 -4.548 1.000 1 A 44.891 1 ATOM 517 C CB . ASP 65 1185 ? A 11.494 -35.351 -6.094 1.000 1 A 44.891 1 ATOM 518 C CG . ASP 65 1185 ? A 12.908 -35.854 -5.862 1.000 1 A 44.891 1 ATOM 519 O OD1 . ASP 65 1185 ? A 13.110 -36.728 -4.992 1.000 1 A 44.891 1 ATOM 520 O OD2 . ASP 65 1185 ? A 13.830 -35.369 -6.554 1.000 1 A 44.891 1 ATOM 521 N N . PRO 66 1186 ? A 9.350 -35.539 -3.027 1.000 1 A 55.329 1 ATOM 522 C CA . PRO 66 1186 ? A 8.792 -34.786 -1.901 1.000 1 A 55.329 1 ATOM 523 C C . PRO 66 1186 ? A 9.692 -33.635 -1.457 1.000 1 A 55.329 1 ATOM 524 O O . PRO 66 1186 ? A 9.368 -32.927 -0.500 1.000 1 A 55.329 1 ATOM 525 C CB . PRO 66 1186 ? A 8.669 -35.840 -0.798 1.000 1 A 55.329 1 ATOM 526 C CG . PRO 66 1186 ? A 8.648 -37.149 -1.520 1.000 1 A 55.329 1 ATOM 527 C CD . PRO 66 1186 ? A 9.502 -37.028 -2.750 1.000 1 A 55.329 1 ATOM 528 N N . HIS 67 1187 ? A 10.366 -33.007 -2.379 1.000 1 A 48.883 1 ATOM 529 C CA . HIS 67 1187 ? A 11.084 -31.874 -1.806 1.000 1 A 48.883 1 ATOM 530 C C . HIS 67 1187 ? A 10.510 -30.551 -2.304 1.000 1 A 48.883 1 ATOM 531 O O . HIS 67 1187 ? A 11.166 -29.511 -2.210 1.000 1 A 48.883 1 ATOM 532 C CB . HIS 67 1187 ? A 12.574 -31.959 -2.140 1.000 1 A 48.883 1 ATOM 533 C CG . HIS 67 1187 ? A 13.371 -32.729 -1.136 1.000 1 A 48.883 1 ATOM 534 N ND1 . HIS 67 1187 ? A 13.911 -32.148 -0.009 1.000 1 A 48.883 1 ATOM 535 C CD2 . HIS 67 1187 ? A 13.716 -34.038 -1.090 1.000 1 A 48.883 1 ATOM 536 C CE1 . HIS 67 1187 ? A 14.556 -33.068 0.688 1.000 1 A 48.883 1 ATOM 537 N NE2 . HIS 67 1187 ? A 14.453 -34.223 0.054 1.000 1 A 48.883 1 ATOM 538 N N . TYR 68 1188 ? A 9.243 -30.507 -2.856 1.000 1 A 46.360 1 ATOM 539 C CA . TYR 68 1188 ? A 8.689 -29.216 -3.247 1.000 1 A 46.360 1 ATOM 540 C C . TYR 68 1188 ? A 7.586 -28.783 -2.289 1.000 1 A 46.360 1 ATOM 541 O O . TYR 68 1188 ? A 7.074 -27.665 -2.386 1.000 1 A 46.360 1 ATOM 542 C CB . TYR 68 1188 ? A 8.145 -29.274 -4.677 1.000 1 A 46.360 1 ATOM 543 C CG . TYR 68 1188 ? A 9.116 -28.769 -5.717 1.000 1 A 46.360 1 ATOM 544 C CD1 . TYR 68 1188 ? A 9.137 -27.425 -6.085 1.000 1 A 46.360 1 ATOM 545 C CD2 . TYR 68 1188 ? A 10.014 -29.634 -6.334 1.000 1 A 46.360 1 ATOM 546 C CE1 . TYR 68 1188 ? A 10.028 -26.956 -7.044 1.000 1 A 46.360 1 ATOM 547 C CE2 . TYR 68 1188 ? A 10.910 -29.175 -7.294 1.000 1 A 46.360 1 ATOM 548 C CZ . TYR 68 1188 ? A 10.910 -27.837 -7.642 1.000 1 A 46.360 1 ATOM 549 O OH . TYR 68 1188 ? A 11.795 -27.378 -8.592 1.000 1 A 46.360 1 ATOM 550 N N . SER 69 1189 ? A 7.669 -29.151 -0.972 1.000 1 A 53.800 1 ATOM 551 C CA . SER 69 1189 ? A 6.685 -28.549 -0.079 1.000 1 A 53.800 1 ATOM 552 C C . SER 69 1189 ? A 7.357 -27.893 1.123 1.000 1 A 53.800 1 ATOM 553 O O . SER 69 1189 ? A 6.681 -27.441 2.049 1.000 1 A 53.800 1 ATOM 554 C CB . SER 69 1189 ? A 5.680 -29.598 0.398 1.000 1 A 53.800 1 ATOM 555 O OG . SER 69 1189 ? A 6.233 -30.388 1.437 1.000 1 A 53.800 1 ATOM 556 N N . GLU 70 1190 ? A 8.660 -27.390 1.011 1.000 1 A 49.554 1 ATOM 557 C CA . GLU 70 1190 ? A 9.077 -26.880 2.314 1.000 1 A 49.554 1 ATOM 558 C C . GLU 70 1190 ? A 9.239 -25.363 2.285 1.000 1 A 49.554 1 ATOM 559 O O . GLU 70 1190 ? A 10.089 -24.810 2.987 1.000 1 A 49.554 1 ATOM 560 C CB . GLU 70 1190 ? A 10.385 -27.540 2.756 1.000 1 A 49.554 1 ATOM 561 C CG . GLU 70 1190 ? A 10.225 -28.988 3.196 1.000 1 A 49.554 1 ATOM 562 C CD . GLU 70 1190 ? A 11.501 -29.803 3.052 1.000 1 A 49.554 1 ATOM 563 O OE1 . GLU 70 1190 ? A 11.445 -31.046 3.190 1.000 1 A 49.554 1 ATOM 564 O OE2 . GLU 70 1190 ? A 12.564 -29.193 2.802 1.000 1 A 49.554 1 ATOM 565 N N . LEU 71 1191 ? A 8.465 -24.611 1.488 1.000 1 A 48.738 1 ATOM 566 C CA . LEU 71 1191 ? A 8.465 -23.236 1.976 1.000 1 A 48.738 1 ATOM 567 C C . LEU 71 1191 ? A 7.080 -22.835 2.471 1.000 1 A 48.738 1 ATOM 568 O O . LEU 71 1191 ? A 6.609 -21.732 2.184 1.000 1 A 48.738 1 ATOM 569 C CB . LEU 71 1191 ? A 8.925 -22.276 0.876 1.000 1 A 48.738 1 ATOM 570 C CG . LEU 71 1191 ? A 10.379 -22.411 0.422 1.000 1 A 48.738 1 ATOM 571 C CD1 . LEU 71 1191 ? A 10.471 -22.322 -1.098 1.000 1 A 48.738 1 ATOM 572 C CD2 . LEU 71 1191 ? A 11.246 -21.343 1.079 1.000 1 A 48.738 1 ATOM 573 N N . THR 72 1192 ? A 6.325 -23.716 3.170 1.000 1 A 58.704 1 ATOM 574 C CA . THR 72 1192 ? A 4.999 -23.438 3.712 1.000 1 A 58.704 1 ATOM 575 C C . THR 72 1192 ? A 5.068 -22.349 4.778 1.000 1 A 58.704 1 ATOM 576 O O . THR 72 1192 ? A 4.064 -21.698 5.074 1.000 1 A 58.704 1 ATOM 577 C CB . THR 72 1192 ? A 4.364 -24.707 4.311 1.000 1 A 58.704 1 ATOM 578 O OG1 . THR 72 1192 ? A 5.253 -25.264 5.287 1.000 1 A 58.704 1 ATOM 579 C CG2 . THR 72 1192 ? A 4.095 -25.750 3.232 1.000 1 A 58.704 1 ATOM 580 N N . ASN 73 1193 ? A 6.254 -21.602 4.824 1.000 1 A 51.402 1 ATOM 581 C CA . ASN 73 1193 ? A 6.110 -20.522 5.795 1.000 1 A 51.402 1 ATOM 582 C C . ASN 73 1193 ? A 6.934 -19.300 5.400 1.000 1 A 51.402 1 ATOM 583 O O . ASN 73 1193 ? A 8.162 -19.313 5.505 1.000 1 A 51.402 1 ATOM 584 C CB . ASN 73 1193 ? A 6.507 -21.001 7.193 1.000 1 A 51.402 1 ATOM 585 C CG . ASN 73 1193 ? A 5.507 -21.975 7.783 1.000 1 A 51.402 1 ATOM 586 O OD1 . ASN 73 1193 ? A 4.321 -21.662 7.917 1.000 1 A 51.402 1 ATOM 587 N ND2 . ASN 73 1193 ? A 5.977 -23.165 8.138 1.000 1 A 51.402 1 ATOM 588 N N . LEU 74 1194 ? A 6.680 -18.717 4.278 1.000 1 A 47.431 1 ATOM 589 C CA . LEU 74 1194 ? A 7.388 -17.491 3.925 1.000 1 A 47.431 1 ATOM 590 C C . LEU 74 1194 ? A 6.952 -16.335 4.818 1.000 1 A 47.431 1 ATOM 591 O O . LEU 74 1194 ? A 5.757 -16.060 4.945 1.000 1 A 47.431 1 ATOM 592 C CB . LEU 74 1194 ? A 7.147 -17.136 2.456 1.000 1 A 47.431 1 ATOM 593 C CG . LEU 74 1194 ? A 8.385 -17.080 1.559 1.000 1 A 47.431 1 ATOM 594 C CD1 . LEU 74 1194 ? A 8.389 -18.256 0.588 1.000 1 A 47.431 1 ATOM 595 C CD2 . LEU 74 1194 ? A 8.440 -15.756 0.805 1.000 1 A 47.431 1 ATOM 596 N N . LYS 75 1195 ? A 7.579 -16.077 5.843 1.000 1 A 62.023 1 ATOM 597 C CA . LYS 75 1195 ? A 7.435 -14.882 6.669 1.000 1 A 62.023 1 ATOM 598 C C . LYS 75 1195 ? A 8.027 -13.659 5.974 1.000 1 A 62.023 1 ATOM 599 O O . LYS 75 1195 ? A 9.203 -13.657 5.605 1.000 1 A 62.023 1 ATOM 600 C CB . LYS 75 1195 ? A 8.102 -15.085 8.030 1.000 1 A 62.023 1 ATOM 601 C CG . LYS 75 1195 ? A 7.218 -15.779 9.055 1.000 1 A 62.023 1 ATOM 602 C CD . LYS 75 1195 ? A 7.957 -16.008 10.367 1.000 1 A 62.023 1 ATOM 603 C CE . LYS 75 1195 ? A 7.717 -14.872 11.351 1.000 1 A 62.023 1 ATOM 604 N NZ . LYS 75 1195 ? A 8.286 -15.175 12.698 1.000 1 A 62.023 1 ATOM 605 N N . VAL 76 1196 ? A 7.293 -12.961 5.218 1.000 1 A 60.663 1 ATOM 606 C CA . VAL 76 1196 ? A 7.688 -11.701 4.597 1.000 1 A 60.663 1 ATOM 607 C C . VAL 76 1196 ? A 7.605 -10.572 5.622 1.000 1 A 60.663 1 ATOM 608 O O . VAL 76 1196 ? A 6.626 -10.469 6.364 1.000 1 A 60.663 1 ATOM 609 C CB . VAL 76 1196 ? A 6.809 -11.372 3.370 1.000 1 A 60.663 1 ATOM 610 C CG1 . VAL 76 1196 ? A 7.277 -10.082 2.700 1.000 1 A 60.663 1 ATOM 611 C CG2 . VAL 76 1196 ? A 6.827 -12.532 2.375 1.000 1 A 60.663 1 ATOM 612 N N . CYS 77 1197 ? A 8.744 -10.148 6.202 1.000 1 A 48.919 1 ATOM 613 C CA . CYS 77 1197 ? A 8.827 -8.980 7.072 1.000 1 A 48.919 1 ATOM 614 C C . CYS 77 1197 ? A 9.157 -7.726 6.271 1.000 1 A 48.919 1 ATOM 615 O O . CYS 77 1197 ? A 10.109 -7.717 5.489 1.000 1 A 48.919 1 ATOM 616 C CB . CYS 77 1197 ? A 9.880 -9.194 8.159 1.000 1 A 48.919 1 ATOM 617 S SG . CYS 77 1197 ? A 9.554 -10.622 9.216 1.000 1 A 48.919 1 ATOM 618 N N . ILE 78 1198 ? A 8.118 -6.915 5.832 1.000 1 A 58.838 1 ATOM 619 C CA . ILE 78 1198 ? A 8.366 -5.619 5.210 1.000 1 A 58.838 1 ATOM 620 C C . ILE 78 1198 ? A 8.677 -4.581 6.285 1.000 1 A 58.838 1 ATOM 621 O O . ILE 78 1198 ? A 7.943 -4.458 7.269 1.000 1 A 58.838 1 ATOM 622 C CB . ILE 78 1198 ? A 7.161 -5.162 4.357 1.000 1 A 58.838 1 ATOM 623 C CG1 . ILE 78 1198 ? A 6.844 -6.205 3.279 1.000 1 A 58.838 1 ATOM 624 C CG2 . ILE 78 1198 ? A 7.433 -3.792 3.729 1.000 1 A 58.838 1 ATOM 625 C CD1 . ILE 78 1198 ? A 5.514 -5.981 2.573 1.000 1 A 58.838 1 ATOM 626 N N . GLU 79 1199 ? A 9.955 -4.341 6.601 1.000 1 A 61.993 1 ATOM 627 C CA . GLU 79 1199 ? A 10.421 -3.269 7.475 1.000 1 A 61.993 1 ATOM 628 C C . GLU 79 1199 ? A 10.093 -1.898 6.890 1.000 1 A 61.993 1 ATOM 629 O O . GLU 79 1199 ? A 10.439 -1.608 5.742 1.000 1 A 61.993 1 ATOM 630 C CB . GLU 79 1199 ? A 11.928 -3.390 7.717 1.000 1 A 61.993 1 ATOM 631 C CG . GLU 79 1199 ? A 12.460 -2.435 8.776 1.000 1 A 61.993 1 ATOM 632 C CD . GLU 79 1199 ? A 13.935 -2.639 9.082 1.000 1 A 61.993 1 ATOM 633 O OE1 . GLU 79 1199 ? A 14.474 -1.937 9.968 1.000 1 A 61.993 1 ATOM 634 O OE2 . GLU 79 1199 ? A 14.557 -3.507 8.430 1.000 1 A 61.993 1 ATOM 635 N N . LEU 80 1200 ? A 8.936 -1.352 7.212 1.000 1 A 53.723 1 ATOM 636 C CA . LEU 80 1200 ? A 8.647 0.004 6.756 1.000 1 A 53.723 1 ATOM 637 C C . LEU 80 1200 ? A 9.660 0.994 7.319 1.000 1 A 53.723 1 ATOM 638 O O . LEU 80 1200 ? A 9.676 1.256 8.523 1.000 1 A 53.723 1 ATOM 639 C CB . LEU 80 1200 ? A 7.231 0.416 7.167 1.000 1 A 53.723 1 ATOM 640 C CG . LEU 80 1200 ? A 6.086 -0.401 6.566 1.000 1 A 53.723 1 ATOM 641 C CD1 . LEU 80 1200 ? A 4.765 -0.034 7.234 1.000 1 A 53.723 1 ATOM 642 C CD2 . LEU 80 1200 ? A 6.007 -0.183 5.059 1.000 1 A 53.723 1 ATOM 643 N N . THR 81 1201 ? A 10.885 0.884 6.904 1.000 1 A 49.494 1 ATOM 644 C CA . THR 81 1201 ? A 11.880 1.891 7.254 1.000 1 A 49.494 1 ATOM 645 C C . THR 81 1201 ? A 11.365 3.293 6.941 1.000 1 A 49.494 1 ATOM 646 O O . THR 81 1201 ? A 10.730 3.510 5.906 1.000 1 A 49.494 1 ATOM 647 C CB . THR 81 1201 ? A 13.205 1.650 6.507 1.000 1 A 49.494 1 ATOM 648 O OG1 . THR 81 1201 ? A 12.932 1.439 5.117 1.000 1 A 49.494 1 ATOM 649 C CG2 . THR 81 1201 ? A 13.934 0.430 7.061 1.000 1 A 49.494 1 ATOM 650 N N . GLY 82 1202 ? A 10.693 3.991 7.926 1.000 1 A 50.634 1 ATOM 651 C CA . GLY 82 1202 ? A 10.389 5.410 7.828 1.000 1 A 50.634 1 ATOM 652 C C . GLY 82 1202 ? A 9.005 5.760 8.340 1.000 1 A 50.634 1 ATOM 653 O O . GLY 82 1202 ? A 8.516 6.869 8.114 1.000 1 A 50.634 1 ATOM 654 N N . LEU 83 1203 ? A 8.360 4.652 8.918 1.000 1 A 49.089 1 ATOM 655 C CA . LEU 83 1203 ? A 7.071 4.951 9.533 1.000 1 A 49.089 1 ATOM 656 C C . LEU 83 1203 ? A 7.227 5.198 11.030 1.000 1 A 49.089 1 ATOM 657 O O . LEU 83 1203 ? A 7.482 4.264 11.794 1.000 1 A 49.089 1 ATOM 658 C CB . LEU 83 1203 ? A 6.083 3.806 9.293 1.000 1 A 49.089 1 ATOM 659 C CG . LEU 83 1203 ? A 5.563 3.649 7.863 1.000 1 A 49.089 1 ATOM 660 C CD1 . LEU 83 1203 ? A 4.762 2.358 7.730 1.000 1 A 49.089 1 ATOM 661 C CD2 . LEU 83 1203 ? A 4.716 4.853 7.466 1.000 1 A 49.089 1 ATOM 662 N N . HIS 84 1204 ? A 8.363 5.838 11.420 1.000 1 A 51.318 1 ATOM 663 C CA . HIS 84 1204 ? A 8.487 6.340 12.784 1.000 1 A 51.318 1 ATOM 664 C C . HIS 84 1204 ? A 7.133 6.774 13.336 1.000 1 A 51.318 1 ATOM 665 O O . HIS 84 1204 ? A 6.403 7.523 12.683 1.000 1 A 51.318 1 ATOM 666 C CB . HIS 84 1204 ? A 9.475 7.506 12.838 1.000 1 A 51.318 1 ATOM 667 C CG . HIS 84 1204 ? A 10.042 7.750 14.201 1.000 1 A 51.318 1 ATOM 668 N ND1 . HIS 84 1204 ? A 9.372 8.468 15.167 1.000 1 A 51.318 1 ATOM 669 C CD2 . HIS 84 1204 ? A 11.215 7.366 14.757 1.000 1 A 51.318 1 ATOM 670 C CE1 . HIS 84 1204 ? A 10.112 8.516 16.263 1.000 1 A 51.318 1 ATOM 671 N NE2 . HIS 84 1204 ? A 11.235 7.856 16.040 1.000 1 A 51.318 1 ATOM 672 N N . PRO 85 1205 ? A 6.461 5.958 14.202 1.000 1 A 51.295 1 ATOM 673 C CA . PRO 85 1205 ? A 5.248 6.394 14.898 1.000 1 A 51.295 1 ATOM 674 C C . PRO 85 1205 ? A 5.231 7.897 15.170 1.000 1 A 51.295 1 ATOM 675 O O . PRO 85 1205 ? A 4.217 8.435 15.620 1.000 1 A 51.295 1 ATOM 676 C CB . PRO 85 1205 ? A 5.289 5.603 16.208 1.000 1 A 51.295 1 ATOM 677 C CG . PRO 85 1205 ? A 6.587 4.863 16.166 1.000 1 A 51.295 1 ATOM 678 C CD . PRO 85 1205 ? A 7.264 5.159 14.859 1.000 1 A 51.295 1 ATOM 679 N N . LYS 86 1206 ? A 6.431 8.584 14.933 1.000 1 A 58.957 1 ATOM 680 C CA . LYS 86 1206 ? A 6.444 9.978 15.368 1.000 1 A 58.957 1 ATOM 681 C C . LYS 86 1206 ? A 5.690 10.867 14.383 1.000 1 A 58.957 1 ATOM 682 O O . LYS 86 1206 ? A 5.130 11.895 14.770 1.000 1 A 58.957 1 ATOM 683 C CB . LYS 86 1206 ? A 7.881 10.476 15.531 1.000 1 A 58.957 1 ATOM 684 C CG . LYS 86 1206 ? A 8.012 11.706 16.418 1.000 1 A 58.957 1 ATOM 685 C CD . LYS 86 1206 ? A 9.468 12.119 16.588 1.000 1 A 58.957 1 ATOM 686 C CE . LYS 86 1206 ? A 9.588 13.515 17.183 1.000 1 A 58.957 1 ATOM 687 N NZ . LYS 86 1206 ? A 10.854 13.680 17.959 1.000 1 A 58.957 1 ATOM 688 N N . LYS 87 1207 ? A 5.380 10.292 13.195 1.000 1 A 52.200 1 ATOM 689 C CA . LYS 87 1207 ? A 4.508 11.032 12.286 1.000 1 A 52.200 1 ATOM 690 C C . LYS 87 1207 ? A 3.115 10.412 12.236 1.000 1 A 52.200 1 ATOM 691 O O . LYS 87 1207 ? A 2.575 10.174 11.153 1.000 1 A 52.200 1 ATOM 692 C CB . LYS 87 1207 ? A 5.112 11.079 10.882 1.000 1 A 52.200 1 ATOM 693 C CG . LYS 87 1207 ? A 6.435 11.827 10.802 1.000 1 A 52.200 1 ATOM 694 C CD . LYS 87 1207 ? A 6.909 11.972 9.361 1.000 1 A 52.200 1 ATOM 695 C CE . LYS 87 1207 ? A 8.244 12.699 9.281 1.000 1 A 52.200 1 ATOM 696 N NZ . LYS 87 1207 ? A 8.751 12.775 7.878 1.000 1 A 52.200 1 ATOM 697 N N . GLN 88 1208 ? A 2.636 9.783 13.372 1.000 1 A 56.662 1 ATOM 698 C CA . GLN 88 1208 ? A 1.361 9.159 13.710 1.000 1 A 56.662 1 ATOM 699 C C . GLN 88 1208 ? A 0.188 10.011 13.231 1.000 1 A 56.662 1 ATOM 700 O O . GLN 88 1208 ? A -0.915 9.499 13.030 1.000 1 A 56.662 1 ATOM 701 C CB . GLN 88 1208 ? A 1.259 8.926 15.218 1.000 1 A 56.662 1 ATOM 702 C CG . GLN 88 1208 ? A 0.265 7.841 15.607 1.000 1 A 56.662 1 ATOM 703 C CD . GLN 88 1208 ? A 0.116 7.693 17.110 1.000 1 A 56.662 1 ATOM 704 O OE1 . GLN 88 1208 ? A 0.950 8.178 17.880 1.000 1 A 56.662 1 ATOM 705 N NE2 . GLN 88 1208 ? A -0.948 7.020 17.536 1.000 1 A 56.662 1 ATOM 706 N N . ARG 89 1209 ? A 0.559 11.247 12.935 1.000 1 A 66.061 1 ATOM 707 C CA . ARG 89 1209 ? A -0.619 12.037 12.594 1.000 1 A 66.061 1 ATOM 708 C C . ARG 89 1209 ? A -1.174 11.633 11.231 1.000 1 A 66.061 1 ATOM 709 O O . ARG 89 1209 ? A -2.390 11.552 11.050 1.000 1 A 66.061 1 ATOM 710 C CB . ARG 89 1209 ? A -0.287 13.531 12.602 1.000 1 A 66.061 1 ATOM 711 C CG . ARG 89 1209 ? A -0.525 14.208 13.942 1.000 1 A 66.061 1 ATOM 712 C CD . ARG 89 1209 ? A -0.579 15.723 13.808 1.000 1 A 66.061 1 ATOM 713 N NE . ARG 89 1209 ? A 0.099 16.387 14.918 1.000 1 A 66.061 1 ATOM 714 C CZ . ARG 89 1209 ? A 1.090 17.265 14.785 1.000 1 A 66.061 1 ATOM 715 N NH1 . ARG 89 1209 ? A 1.540 17.602 13.582 1.000 1 A 66.061 1 ATOM 716 N NH2 . ARG 89 1209 ? A 1.634 17.809 15.863 1.000 1 A 66.061 1 ATOM 717 N N . HIS 90 1210 ? A -0.267 11.262 10.265 1.000 1 A 69.578 1 ATOM 718 C CA . HIS 90 1210 ? A -0.710 10.947 8.911 1.000 1 A 69.578 1 ATOM 719 C C . HIS 90 1210 ? A -1.386 9.582 8.856 1.000 1 A 69.578 1 ATOM 720 O O . HIS 90 1210 ? A -2.387 9.408 8.157 1.000 1 A 69.578 1 ATOM 721 C CB . HIS 90 1210 ? A 0.471 10.988 7.939 1.000 1 A 69.578 1 ATOM 722 C CG . HIS 90 1210 ? A 0.105 10.623 6.535 1.000 1 A 69.578 1 ATOM 723 N ND1 . HIS 90 1210 ? A -0.740 11.391 5.763 1.000 1 A 69.578 1 ATOM 724 C CD2 . HIS 90 1210 ? A 0.472 9.572 5.765 1.000 1 A 69.578 1 ATOM 725 C CE1 . HIS 90 1210 ? A -0.876 10.826 4.575 1.000 1 A 69.578 1 ATOM 726 N NE2 . HIS 90 1210 ? A -0.151 9.721 4.551 1.000 1 A 69.578 1 ATOM 727 N N . LEU 91 1211 ? A -0.873 8.656 9.762 1.000 1 A 69.899 1 ATOM 728 C CA . LEU 91 1211 ? A -1.481 7.330 9.772 1.000 1 A 69.899 1 ATOM 729 C C . LEU 91 1211 ? A -2.881 7.379 10.375 1.000 1 A 69.899 1 ATOM 730 O O . LEU 91 1211 ? A -3.791 6.697 9.898 1.000 1 A 69.899 1 ATOM 731 C CB . LEU 91 1211 ? A -0.609 6.347 10.557 1.000 1 A 69.899 1 ATOM 732 C CG . LEU 91 1211 ? A -0.385 4.977 9.914 1.000 1 A 69.899 1 ATOM 733 C CD1 . LEU 91 1211 ? A 0.600 5.090 8.755 1.000 1 A 69.899 1 ATOM 734 C CD2 . LEU 91 1211 ? A 0.113 3.975 10.950 1.000 1 A 69.899 1 ATOM 735 N N . LEU 92 1212 ? A -3.040 8.253 11.509 1.000 1 A 74.673 1 ATOM 736 C CA . LEU 92 1212 ? A -4.364 8.452 12.087 1.000 1 A 74.673 1 ATOM 737 C C . LEU 92 1212 ? A -5.336 8.995 11.044 1.000 1 A 74.673 1 ATOM 738 O O . LEU 92 1212 ? A -6.489 8.562 10.978 1.000 1 A 74.673 1 ATOM 739 C CB . LEU 92 1212 ? A -4.291 9.407 13.280 1.000 1 A 74.673 1 ATOM 740 C CG . LEU 92 1212 ? A -3.690 8.840 14.567 1.000 1 A 74.673 1 ATOM 741 C CD1 . LEU 92 1212 ? A -3.533 9.942 15.610 1.000 1 A 74.673 1 ATOM 742 C CD2 . LEU 92 1212 ? A -4.555 7.706 15.107 1.000 1 A 74.673 1 ATOM 743 N N . HIS 93 1213 ? A -4.892 9.973 10.263 1.000 1 A 79.521 1 ATOM 744 C CA . HIS 93 1213 ? A -5.711 10.577 9.219 1.000 1 A 79.521 1 ATOM 745 C C . HIS 93 1213 ? A -6.112 9.548 8.168 1.000 1 A 79.521 1 ATOM 746 O O . HIS 93 1213 ? A -7.256 9.538 7.707 1.000 1 A 79.521 1 ATOM 747 C CB . HIS 93 1213 ? A -4.965 11.738 8.558 1.000 1 A 79.521 1 ATOM 748 C CG . HIS 93 1213 ? A -5.761 12.442 7.506 1.000 1 A 79.521 1 ATOM 749 N ND1 . HIS 93 1213 ? A -6.820 13.272 7.805 1.000 1 A 79.521 1 ATOM 750 C CD2 . HIS 93 1213 ? A -5.649 12.441 6.157 1.000 1 A 79.521 1 ATOM 751 C CE1 . HIS 93 1213 ? A -7.327 13.751 6.681 1.000 1 A 79.521 1 ATOM 752 N NE2 . HIS 93 1213 ? A -6.634 13.262 5.667 1.000 1 A 79.521 1 ATOM 753 N N . LEU 94 1214 ? A -5.103 8.704 7.814 1.000 1 A 79.591 1 ATOM 754 C CA . LEU 94 1214 ? A -5.386 7.658 6.837 1.000 1 A 79.591 1 ATOM 755 C C . LEU 94 1214 ? A -6.411 6.668 7.381 1.000 1 A 79.591 1 ATOM 756 O O . LEU 94 1214 ? A -7.324 6.256 6.663 1.000 1 A 79.591 1 ATOM 757 C CB . LEU 94 1214 ? A -4.101 6.921 6.452 1.000 1 A 79.591 1 ATOM 758 C CG . LEU 94 1214 ? A -4.023 6.398 5.017 1.000 1 A 79.591 1 ATOM 759 C CD1 . LEU 94 1214 ? A -3.571 7.506 4.072 1.000 1 A 79.591 1 ATOM 760 C CD2 . LEU 94 1214 ? A -3.082 5.200 4.934 1.000 1 A 79.591 1 ATOM 761 N N . ARG 95 1215 ? A -6.224 6.269 8.621 1.000 1 A 82.946 1 ATOM 762 C CA . ARG 95 1215 ? A -7.210 5.421 9.284 1.000 1 A 82.946 1 ATOM 763 C C . ARG 95 1215 ? A -8.590 6.071 9.269 1.000 1 A 82.946 1 ATOM 764 O O . ARG 95 1215 ? A -9.592 5.405 9.001 1.000 1 A 82.946 1 ATOM 765 C CB . ARG 95 1215 ? A -6.785 5.128 10.725 1.000 1 A 82.946 1 ATOM 766 C CG . ARG 95 1215 ? A -7.744 4.219 11.477 1.000 1 A 82.946 1 ATOM 767 C CD . ARG 95 1215 ? A -7.313 4.018 12.923 1.000 1 A 82.946 1 ATOM 768 N NE . ARG 95 1215 ? A -7.393 2.615 13.319 1.000 1 A 82.946 1 ATOM 769 C CZ . ARG 95 1215 ? A -7.362 2.179 14.576 1.000 1 A 82.946 1 ATOM 770 N NH1 . ARG 95 1215 ? A -7.252 3.033 15.587 1.000 1 A 82.946 1 ATOM 771 N NH2 . ARG 95 1215 ? A -7.442 0.880 14.823 1.000 1 A 82.946 1 ATOM 772 N N . GLU 96 1216 ? A -8.590 7.397 9.751 1.000 1 A 81.075 1 ATOM 773 C CA . GLU 96 1216 ? A -9.839 8.151 9.757 1.000 1 A 81.075 1 ATOM 774 C C . GLU 96 1216 ? A -10.474 8.178 8.370 1.000 1 A 81.075 1 ATOM 775 O O . GLU 96 1216 ? A -11.688 8.011 8.233 1.000 1 A 81.075 1 ATOM 776 C CB . GLU 96 1216 ? A -9.604 9.580 10.255 1.000 1 A 81.075 1 ATOM 777 C CG . GLU 96 1216 ? A -10.873 10.413 10.355 1.000 1 A 81.075 1 ATOM 778 C CD . GLU 96 1216 ? A -10.623 11.829 10.849 1.000 1 A 81.075 1 ATOM 779 O OE1 . GLU 96 1216 ? A -11.580 12.485 11.321 1.000 1 A 81.075 1 ATOM 780 O OE2 . GLU 96 1216 ? A -9.462 12.287 10.763 1.000 1 A 81.075 1 ATOM 781 N N . ARG 97 1217 ? A -9.675 8.426 7.371 1.000 1 A 81.152 1 ATOM 782 C CA . ARG 97 1217 ? A -10.171 8.466 5.999 1.000 1 A 81.152 1 ATOM 783 C C . ARG 97 1217 ? A -10.703 7.103 5.569 1.000 1 A 81.152 1 ATOM 784 O O . ARG 97 1217 ? A -11.702 7.019 4.851 1.000 1 A 81.152 1 ATOM 785 C CB . ARG 97 1217 ? A -9.069 8.924 5.042 1.000 1 A 81.152 1 ATOM 786 C CG . ARG 97 1217 ? A -8.752 10.408 5.132 1.000 1 A 81.152 1 ATOM 787 C CD . ARG 97 1217 ? A -9.559 11.220 4.128 1.000 1 A 81.152 1 ATOM 788 N NE . ARG 97 1217 ? A -9.147 12.620 4.111 1.000 1 A 81.152 1 ATOM 789 C CZ . ARG 97 1217 ? A -8.517 13.212 3.099 1.000 1 A 81.152 1 ATOM 790 N NH1 . ARG 97 1217 ? A -8.215 12.534 1.999 1.000 1 A 81.152 1 ATOM 791 N NH2 . ARG 97 1217 ? A -8.188 14.492 3.189 1.000 1 A 81.152 1 ATOM 792 N N . TRP 98 1218 ? A -9.921 6.068 5.950 1.000 1 A 81.286 1 ATOM 793 C CA . TRP 98 1218 ? A -10.362 4.714 5.631 1.000 1 A 81.286 1 ATOM 794 C C . TRP 98 1218 ? A -11.693 4.402 6.307 1.000 1 A 81.286 1 ATOM 795 O O . TRP 98 1218 ? A -12.600 3.847 5.681 1.000 1 A 81.286 1 ATOM 796 C CB . TRP 98 1218 ? A -9.307 3.690 6.057 1.000 1 A 81.286 1 ATOM 797 C CG . TRP 98 1218 ? A -9.721 2.265 5.846 1.000 1 A 81.286 1 ATOM 798 C CD1 . TRP 98 1218 ? A -10.353 1.449 6.743 1.000 1 A 81.286 1 ATOM 799 C CD2 . TRP 98 1218 ? A -9.527 1.485 4.662 1.000 1 A 81.286 1 ATOM 800 N NE1 . TRP 98 1218 ? A -10.565 0.208 6.186 1.000 1 A 81.286 1 ATOM 801 C CE2 . TRP 98 1218 ? A -10.068 0.204 4.911 1.000 1 A 81.286 1 ATOM 802 C CE3 . TRP 98 1218 ? A -8.949 1.746 3.412 1.000 1 A 81.286 1 ATOM 803 C CZ2 . TRP 98 1218 ? A -10.047 -0.814 3.955 1.000 1 A 81.286 1 ATOM 804 C CZ3 . TRP 98 1218 ? A -8.929 0.731 2.462 1.000 1 A 81.286 1 ATOM 805 C CH2 . TRP 98 1218 ? A -9.475 -0.532 2.741 1.000 1 A 81.286 1 ATOM 806 N N . GLU 99 1219 ? A -11.843 4.655 7.568 1.000 1 A 83.435 1 ATOM 807 C CA . GLU 99 1219 ? A -13.077 4.438 8.318 1.000 1 A 83.435 1 ATOM 808 C C . GLU 99 1219 ? A -14.232 5.235 7.720 1.000 1 A 83.435 1 ATOM 809 O O . GLU 99 1219 ? A -15.365 4.752 7.666 1.000 1 A 83.435 1 ATOM 810 C CB . GLU 99 1219 ? A -12.885 4.812 9.789 1.000 1 A 83.435 1 ATOM 811 C CG . GLU 99 1219 ? A -14.048 4.408 10.684 1.000 1 A 83.435 1 ATOM 812 C CD . GLU 99 1219 ? A -13.745 4.555 12.166 1.000 1 A 83.435 1 ATOM 813 O OE1 . GLU 99 1219 ? A -14.555 4.091 13.000 1.000 1 A 83.435 1 ATOM 814 O OE2 . GLU 99 1219 ? A -12.690 5.142 12.496 1.000 1 A 83.435 1 ATOM 815 N N . GLN 100 1220 ? A -13.955 6.420 7.313 1.000 1 A 78.127 1 ATOM 816 C CA . GLN 100 1220 ? A -14.973 7.234 6.656 1.000 1 A 78.127 1 ATOM 817 C C . GLN 100 1220 ? A -15.430 6.594 5.349 1.000 1 A 78.127 1 ATOM 818 O O . GLN 100 1220 ? A -16.609 6.662 4.997 1.000 1 A 78.127 1 ATOM 819 C CB . GLN 100 1220 ? A -14.445 8.645 6.393 1.000 1 A 78.127 1 ATOM 820 C CG . GLN 100 1220 ? A -14.902 9.674 7.419 1.000 1 A 78.127 1 ATOM 821 C CD . GLN 100 1220 ? A -13.998 10.891 7.473 1.000 1 A 78.127 1 ATOM 822 O OE1 . GLN 100 1220 ? A -13.764 11.552 6.456 1.000 1 A 78.127 1 ATOM 823 N NE2 . GLN 100 1220 ? A -13.483 11.195 8.659 1.000 1 A 78.127 1 ATOM 824 N N . GLN 101 1221 ? A -14.384 6.046 4.598 1.000 1 A 76.497 1 ATOM 825 C CA . GLN 101 1221 ? A -14.713 5.410 3.327 1.000 1 A 76.497 1 ATOM 826 C C . GLN 101 1221 ? A -15.539 4.145 3.543 1.000 1 A 76.497 1 ATOM 827 O O . GLN 101 1221 ? A -16.459 3.860 2.773 1.000 1 A 76.497 1 ATOM 828 C CB . GLN 101 1221 ? A -13.440 5.078 2.547 1.000 1 A 76.497 1 ATOM 829 C CG . GLN 101 1221 ? A -13.693 4.673 1.101 1.000 1 A 76.497 1 ATOM 830 C CD . GLN 101 1221 ? A -12.411 4.428 0.327 1.000 1 A 76.497 1 ATOM 831 O OE1 . GLN 101 1221 ? A -11.309 4.532 0.876 1.000 1 A 76.497 1 ATOM 832 N NE2 . GLN 101 1221 ? A -12.544 4.104 -0.954 1.000 1 A 76.497 1 ATOM 833 N N . VAL 102 1222 ? A -15.196 3.400 4.549 1.000 1 A 69.792 1 ATOM 834 C CA . VAL 102 1222 ? A -15.907 2.143 4.759 1.000 1 A 69.792 1 ATOM 835 C C . VAL 102 1222 ? A -17.243 2.413 5.446 1.000 1 A 69.792 1 ATOM 836 O O . VAL 102 1222 ? A -18.198 1.650 5.283 1.000 1 A 69.792 1 ATOM 837 C CB . VAL 102 1222 ? A -15.069 1.150 5.595 1.000 1 A 69.792 1 ATOM 838 C CG1 . VAL 102 1222 ? A -14.331 0.168 4.686 1.000 1 A 69.792 1 ATOM 839 C CG2 . VAL 102 1222 ? A -14.083 1.902 6.487 1.000 1 A 69.792 1 ATOM 840 N N . SER 103 1223 ? A -17.188 3.455 6.322 1.000 1 A 65.056 1 ATOM 841 C CA . SER 103 1223 ? A -18.433 3.790 7.006 1.000 1 A 65.056 1 ATOM 842 C C . SER 103 1223 ? A -19.417 4.472 6.061 1.000 1 A 65.056 1 ATOM 843 O O . SER 103 1223 ? A -20.632 4.378 6.247 1.000 1 A 65.056 1 ATOM 844 C CB . SER 103 1223 ? A -18.158 4.695 8.208 1.000 1 A 65.056 1 ATOM 845 O OG . SER 103 1223 ? A -17.393 4.012 9.187 1.000 1 A 65.056 1 ATOM 846 N N . ALA 104 1224 ? A -18.865 5.268 5.134 1.000 1 A 59.765 1 ATOM 847 C CA . ALA 104 1224 ? A -19.779 5.912 4.195 1.000 1 A 59.765 1 ATOM 848 C C . ALA 104 1224 ? A -20.501 4.878 3.336 1.000 1 A 59.765 1 ATOM 849 O O . ALA 104 1224 ? A -21.614 5.122 2.863 1.000 1 A 59.765 1 ATOM 850 C CB . ALA 104 1224 ? A -19.024 6.901 3.310 1.000 1 A 59.765 1 ATOM 851 N N . ALA 105 1225 ? A -19.852 3.668 3.295 1.000 1 A 54.994 1 ATOM 852 C CA . ALA 105 1225 ? A -20.518 2.661 2.473 1.000 1 A 54.994 1 ATOM 853 C C . ALA 105 1225 ? A -21.605 1.939 3.264 1.000 1 A 54.994 1 ATOM 854 O O . ALA 105 1225 ? A -22.571 1.435 2.687 1.000 1 A 54.994 1 ATOM 855 C CB . ALA 105 1225 ? A -19.502 1.657 1.933 1.000 1 A 54.994 1 ATOM 856 N N . ASP 106 1226 ? A -21.675 2.224 4.627 1.000 1 A 51.111 1 ATOM 857 C CA . ASP 106 1226 ? A -22.710 1.475 5.332 1.000 1 A 51.111 1 ATOM 858 C C . ASP 106 1226 ? A -23.824 2.400 5.818 1.000 1 A 51.111 1 ATOM 859 O O . ASP 106 1226 ? A -24.833 1.937 6.353 1.000 1 A 51.111 1 ATOM 860 C CB . ASP 106 1226 ? A -22.109 0.710 6.513 1.000 1 A 51.111 1 ATOM 861 C CG . ASP 106 1226 ? A -22.821 -0.602 6.795 1.000 1 A 51.111 1 ATOM 862 O OD1 . ASP 106 1226 ? A -23.947 -0.580 7.337 1.000 1 A 51.111 1 ATOM 863 O OD2 . ASP 106 1226 ? A -22.250 -1.666 6.475 1.000 1 A 51.111 1 ATOM 864 N N . GLY 107 1227 ? A -23.981 3.649 5.248 1.000 1 A 49.455 1 ATOM 865 C CA . GLY 107 1227 ? A -25.176 4.294 5.768 1.000 1 A 49.455 1 ATOM 866 C C . GLY 107 1227 ? A -25.921 5.103 4.723 1.000 1 A 49.455 1 ATOM 867 O O . GLY 107 1227 ? A -26.731 5.968 5.061 1.000 1 A 49.455 1 ATOM 868 N N . LYS 108 1228 ? A -26.169 4.544 3.646 1.000 1 A 43.680 1 ATOM 869 C CA . LYS 108 1228 ? A -27.292 5.273 3.063 1.000 1 A 43.680 1 ATOM 870 C C . LYS 108 1228 ? A -28.333 4.315 2.493 1.000 1 A 43.680 1 ATOM 871 O O . LYS 108 1228 ? A -28.042 3.550 1.571 1.000 1 A 43.680 1 ATOM 872 C CB . LYS 108 1228 ? A -26.804 6.228 1.972 1.000 1 A 43.680 1 ATOM 873 C CG . LYS 108 1228 ? A -26.391 7.598 2.488 1.000 1 A 43.680 1 ATOM 874 C CD . LYS 108 1228 ? A -26.420 8.644 1.381 1.000 1 A 43.680 1 ATOM 875 C CE . LYS 108 1228 ? A -25.905 9.991 1.869 1.000 1 A 43.680 1 ATOM 876 N NZ . LYS 108 1228 ? A -26.150 11.074 0.870 1.000 1 A 43.680 1 ATOM 877 N N . PRO 109 1229 ? A -29.461 3.817 3.234 1.000 1 A 43.962 1 ATOM 878 C CA . PRO 109 1229 ? A -30.668 4.035 2.434 1.000 1 A 43.962 1 ATOM 879 C C . PRO 109 1229 ? A -31.526 5.183 2.961 1.000 1 A 43.962 1 ATOM 880 O O . PRO 109 1229 ? A -31.533 5.451 4.165 1.000 1 A 43.962 1 ATOM 881 C CB . PRO 109 1229 ? A -31.411 2.701 2.548 1.000 1 A 43.962 1 ATOM 882 C CG . PRO 109 1229 ? A -31.120 2.218 3.932 1.000 1 A 43.962 1 ATOM 883 C CD . PRO 109 1229 ? A -30.100 3.130 4.550 1.000 1 A 43.962 1 ATOM 884 N N . GLY 110 1230 ? A -31.504 6.383 2.346 1.000 1 A 40.033 1 ATOM 885 C CA . GLY 110 1230 ? A -32.853 6.921 2.260 1.000 1 A 40.033 1 ATOM 886 C C . GLY 110 1230 ? A -32.921 8.408 2.549 1.000 1 A 40.033 1 ATOM 887 O O . GLY 110 1230 ? A -32.331 8.885 3.520 1.000 1 A 40.033 1 ATOM 888 N N . ARG 111 1231 ? A -32.627 9.320 1.693 1.000 1 A 35.949 1 ATOM 889 C CA . ARG 111 1231 ? A -33.503 10.408 1.270 1.000 1 A 35.949 1 ATOM 890 C C . ARG 111 1231 ? A -34.532 10.732 2.348 1.000 1 A 35.949 1 ATOM 891 O O . ARG 111 1231 ? A -35.193 9.834 2.873 1.000 1 A 35.949 1 ATOM 892 C CB . ARG 111 1231 ? A -34.210 10.051 -0.039 1.000 1 A 35.949 1 ATOM 893 C CG . ARG 111 1231 ? A -33.655 10.775 -1.256 1.000 1 A 35.949 1 ATOM 894 C CD . ARG 111 1231 ? A -34.622 10.725 -2.431 1.000 1 A 35.949 1 ATOM 895 N NE . ARG 111 1231 ? A -33.980 11.140 -3.675 1.000 1 A 35.949 1 ATOM 896 C CZ . ARG 111 1231 ? A -34.267 12.255 -4.341 1.000 1 A 35.949 1 ATOM 897 N NH1 . ARG 111 1231 ? A -35.196 13.092 -3.893 1.000 1 A 35.949 1 ATOM 898 N NH2 . ARG 111 1231 ? A -33.621 12.535 -5.463 1.000 1 A 35.949 1 ATOM 899 N N . GLN 112 1232 ? A -34.363 11.760 3.260 1.000 1 A 39.568 1 ATOM 900 C CA . GLN 112 1232 ? A -35.414 12.692 3.657 1.000 1 A 39.568 1 ATOM 901 C C . GLN 112 1232 ? A -34.914 13.662 4.723 1.000 1 A 39.568 1 ATOM 902 O O . GLN 112 1232 ? A -34.372 13.242 5.748 1.000 1 A 39.568 1 ATOM 903 C CB . GLN 112 1232 ? A -36.639 11.934 4.170 1.000 1 A 39.568 1 ATOM 904 C CG . GLN 112 1232 ? A -37.427 11.226 3.076 1.000 1 A 39.568 1 ATOM 905 C CD . GLN 112 1232 ? A -38.778 10.730 3.554 1.000 1 A 39.568 1 ATOM 906 O OE1 . GLN 112 1232 ? A -38.927 10.302 4.703 1.000 1 A 39.568 1 ATOM 907 N NE2 . GLN 112 1232 ? A -39.774 10.782 2.675 1.000 1 A 39.568 1 ATOM 908 N N . SER 113 1233 ? A -34.425 14.850 4.360 1.000 1 A 34.793 1 ATOM 909 C CA . SER 113 1233 ? A -35.175 16.102 4.359 1.000 1 A 34.793 1 ATOM 910 C C . SER 113 1233 ? A -35.269 16.691 5.762 1.000 1 A 34.793 1 ATOM 911 O O . SER 113 1233 ? A -35.626 15.991 6.712 1.000 1 A 34.793 1 ATOM 912 C CB . SER 113 1233 ? A -36.579 15.886 3.792 1.000 1 A 34.793 1 ATOM 913 O OG . SER 113 1233 ? A -37.310 17.100 3.785 1.000 1 A 34.793 1 ATOM 914 N N . ARG 114 1234 ? A -34.355 17.597 6.135 1.000 1 A 34.630 1 ATOM 915 C CA . ARG 114 1234 ? A -34.615 18.986 6.500 1.000 1 A 34.630 1 ATOM 916 C C . ARG 114 1234 ? A -35.815 19.092 7.434 1.000 1 A 34.630 1 ATOM 917 O O . ARG 114 1234 ? A -36.860 18.487 7.182 1.000 1 A 34.630 1 ATOM 918 C CB . ARG 114 1234 ? A -34.847 19.836 5.250 1.000 1 A 34.630 1 ATOM 919 C CG . ARG 114 1234 ? A -34.934 21.329 5.527 1.000 1 A 34.630 1 ATOM 920 C CD . ARG 114 1234 ? A -35.067 22.134 4.242 1.000 1 A 34.630 1 ATOM 921 N NE . ARG 114 1234 ? A -34.965 23.569 4.492 1.000 1 A 34.630 1 ATOM 922 C CZ . ARG 114 1234 ? A -35.690 24.499 3.877 1.000 1 A 34.630 1 ATOM 923 N NH1 . ARG 114 1234 ? A -36.589 24.161 2.960 1.000 1 A 34.630 1 ATOM 924 N NH2 . ARG 114 1234 ? A -35.516 25.777 4.182 1.000 1 A 34.630 1 ATOM 925 N N . LYS 115 1235 ? A -35.626 19.270 8.778 1.000 1 A 37.732 1 ATOM 926 C CA . LYS 115 1235 ? A -36.117 20.263 9.728 1.000 1 A 37.732 1 ATOM 927 C C . LYS 115 1235 ? A -36.936 19.607 10.836 1.000 1 A 37.732 1 ATOM 928 O O . LYS 115 1235 ? A -37.880 18.863 10.559 1.000 1 A 37.732 1 ATOM 929 C CB . LYS 115 1235 ? A -36.956 21.322 9.012 1.000 1 A 37.732 1 ATOM 930 C CG . LYS 115 1235 ? A -36.136 22.425 8.359 1.000 1 A 37.732 1 ATOM 931 C CD . LYS 115 1235 ? A -37.015 23.374 7.555 1.000 1 A 37.732 1 ATOM 932 C CE . LYS 115 1235 ? A -36.191 24.454 6.867 1.000 1 A 37.732 1 ATOM 933 N NZ . LYS 115 1235 ? A -37.057 25.455 6.175 1.000 1 A 37.732 1 ATOM 934 N N . GLU 116 1236 ? A -36.409 19.252 12.002 1.000 1 A 33.181 1 ATOM 935 C CA . GLU 116 1236 ? A -37.207 19.643 13.160 1.000 1 A 33.181 1 ATOM 936 C C . GLU 116 1236 ? A -36.521 19.243 14.464 1.000 1 A 33.181 1 ATOM 937 O O . GLU 116 1236 ? A -36.166 18.078 14.652 1.000 1 A 33.181 1 ATOM 938 C CB . GLU 116 1236 ? A -38.603 19.019 13.088 1.000 1 A 33.181 1 ATOM 939 C CG . GLU 116 1236 ? A -39.679 19.975 12.595 1.000 1 A 33.181 1 ATOM 940 C CD . GLU 116 1236 ? A -41.090 19.441 12.788 1.000 1 A 33.181 1 ATOM 941 O OE1 . GLU 116 1236 ? A -42.062 20.182 12.516 1.000 1 A 33.181 1 ATOM 942 O OE2 . GLU 116 1236 ? A -41.224 18.273 13.214 1.000 1 A 33.181 1 ATOM 943 N N . VAL 117 1237 ? A -35.699 20.047 15.082 1.000 1 A 37.157 1 ATOM 944 C CA . VAL 117 1237 ? A -35.608 20.688 16.390 1.000 1 A 37.157 1 ATOM 945 C C . VAL 117 1237 ? A -36.992 20.751 17.032 1.000 1 A 37.157 1 ATOM 946 O O . VAL 117 1237 ? A -37.931 21.295 16.445 1.000 1 A 37.157 1 ATOM 947 C CB . VAL 117 1237 ? A -35.003 22.106 16.286 1.000 1 A 37.157 1 ATOM 948 C CG1 . VAL 117 1237 ? A -35.473 22.980 17.448 1.000 1 A 37.157 1 ATOM 949 C CG2 . VAL 117 1237 ? A -33.478 22.033 16.251 1.000 1 A 37.157 1 ATOM 950 N N . THR 118 1238 ? A -37.571 19.738 17.687 1.000 1 A 37.829 1 ATOM 951 C CA . THR 118 1238 ? A -38.502 19.840 18.805 1.000 1 A 37.829 1 ATOM 952 C C . THR 118 1238 ? A -38.111 18.879 19.924 1.000 1 A 37.829 1 ATOM 953 O O . THR 118 1238 ? A -37.936 17.682 19.688 1.000 1 A 37.829 1 ATOM 954 C CB . THR 118 1238 ? A -39.947 19.551 18.357 1.000 1 A 37.829 1 ATOM 955 O OG1 . THR 118 1238 ? A -40.188 20.191 17.098 1.000 1 A 37.829 1 ATOM 956 C CG2 . THR 118 1238 ? A -40.954 20.069 19.378 1.000 1 A 37.829 1 ATOM 957 N N . GLN 119 1239 ? A -37.324 19.335 20.931 1.000 1 A 31.721 1 ATOM 958 C CA . GLN 119 1239 ? A -37.560 19.535 22.357 1.000 1 A 31.721 1 ATOM 959 C C . GLN 119 1239 ? A -38.861 18.871 22.798 1.000 1 A 31.721 1 ATOM 960 O O . GLN 119 1239 ? A -39.917 19.110 22.209 1.000 1 A 31.721 1 ATOM 961 C CB . GLN 119 1239 ? A -37.593 21.027 22.692 1.000 1 A 31.721 1 ATOM 962 C CG . GLN 119 1239 ? A -37.133 21.351 24.107 1.000 1 A 31.721 1 ATOM 963 C CD . GLN 119 1239 ? A -37.073 22.842 24.378 1.000 1 A 31.721 1 ATOM 964 O OE1 . GLN 119 1239 ? A -37.933 23.604 23.926 1.000 1 A 31.721 1 ATOM 965 N NE2 . GLN 119 1239 ? A -36.055 23.269 25.118 1.000 1 A 31.721 1 ATOM 966 N N . ALA 120 1240 ? A -38.959 17.598 23.295 1.000 1 A 33.334 1 ATOM 967 C CA . ALA 120 1240 ? A -39.922 17.239 24.332 1.000 1 A 33.334 1 ATOM 968 C C . ALA 120 1240 ? A -39.932 15.733 24.574 1.000 1 A 33.334 1 ATOM 969 O O . ALA 120 1240 ? A -40.117 14.949 23.640 1.000 1 A 33.334 1 ATOM 970 C CB . ALA 120 1240 ? A -41.320 17.723 23.952 1.000 1 A 33.334 1 ATOM 971 N N . THR 121 1241 ? A -39.152 15.205 25.520 1.000 1 A 34.827 1 ATOM 972 C CA . THR 121 1241 ? A -39.864 14.357 26.470 1.000 1 A 34.827 1 ATOM 973 C C . THR 121 1241 ? A -38.884 13.534 27.300 1.000 1 A 34.827 1 ATOM 974 O O . THR 121 1241 ? A -38.031 12.834 26.750 1.000 1 A 34.827 1 ATOM 975 C CB . THR 121 1241 ? A -40.848 13.417 25.750 1.000 1 A 34.827 1 ATOM 976 O OG1 . THR 121 1241 ? A -41.541 14.149 24.731 1.000 1 A 34.827 1 ATOM 977 C CG2 . THR 121 1241 ? A -41.868 12.837 26.725 1.000 1 A 34.827 1 ATOM 978 N N . GLN 122 1242 ? A -38.253 14.083 28.296 1.000 1 A 26.115 1 ATOM 979 C CA . GLN 122 1242 ? A -38.275 13.613 29.678 1.000 1 A 26.115 1 ATOM 980 C C . GLN 122 1242 ? A -38.916 12.232 29.779 1.000 1 A 26.115 1 ATOM 981 O O . GLN 122 1242 ? A -40.050 12.035 29.337 1.000 1 A 26.115 1 ATOM 982 C CB . GLN 122 1242 ? A -39.022 14.606 30.570 1.000 1 A 26.115 1 ATOM 983 C CG . GLN 122 1242 ? A -38.115 15.619 31.257 1.000 1 A 26.115 1 ATOM 984 C CD . GLN 122 1242 ? A -37.388 15.038 32.455 1.000 1 A 26.115 1 ATOM 985 O OE1 . GLN 122 1242 ? A -37.217 13.819 32.564 1.000 1 A 26.115 1 ATOM 986 N NE2 . GLN 122 1242 ? A -36.955 15.905 33.364 1.000 1 A 26.115 1 ATOM 987 N N . PRO 123 1243 ? A -38.223 11.190 30.169 1.000 1 A 44.248 1 ATOM 988 C CA . PRO 123 1243 ? A -38.895 10.203 31.017 1.000 1 A 44.248 1 ATOM 989 C C . PRO 123 1243 ? A -38.468 10.295 32.481 1.000 1 A 44.248 1 ATOM 990 O O . PRO 123 1243 ? A -37.291 10.525 32.771 1.000 1 A 44.248 1 ATOM 991 C CB . PRO 123 1243 ? A -38.468 8.866 30.407 1.000 1 A 44.248 1 ATOM 992 C CG . PRO 123 1243 ? A -37.152 9.146 29.755 1.000 1 A 44.248 1 ATOM 993 C CD . PRO 123 1243 ? A -36.891 10.623 29.823 1.000 1 A 44.248 1 ATOM 994 N N . GLU 124 1244 ? A -39.059 11.189 33.305 1.000 1 A 30.156 1 ATOM 995 C CA . GLU 124 1244 ? A -39.708 11.046 34.605 1.000 1 A 30.156 1 ATOM 996 C C . GLU 124 1244 ? A -40.213 9.621 34.817 1.000 1 A 30.156 1 ATOM 997 O O . GLU 124 1244 ? A -40.984 9.104 34.007 1.000 1 A 30.156 1 ATOM 998 C CB . GLU 124 1244 ? A -40.865 12.039 34.741 1.000 1 A 30.156 1 ATOM 999 C CG . GLU 124 1244 ? A -41.153 12.455 36.176 1.000 1 A 30.156 1 ATOM 1000 C CD . GLU 124 1244 ? A -42.344 13.391 36.302 1.000 1 A 30.156 1 ATOM 1001 O OE1 . GLU 124 1244 ? A -43.097 13.286 37.297 1.000 1 A 30.156 1 ATOM 1002 O OE2 . GLU 124 1244 ? A -42.527 14.237 35.398 1.000 1 A 30.156 1 ATOM 1003 N N . ALA 125 1245 ? A -39.481 8.712 35.466 1.000 1 A 44.979 1 ATOM 1004 C CA . ALA 125 1245 ? A -40.031 7.755 36.423 1.000 1 A 44.979 1 ATOM 1005 C C . ALA 125 1245 ? A -38.955 7.266 37.388 1.000 1 A 44.979 1 ATOM 1006 O O . ALA 125 1245 ? A -37.920 6.747 36.962 1.000 1 A 44.979 1 ATOM 1007 C CB . ALA 125 1245 ? A -40.662 6.573 35.691 1.000 1 A 44.979 1 ATOM 1008 N N . ILE 126 1246 ? A -38.675 7.832 38.613 1.000 1 A 38.428 1 ATOM 1009 C CA . ILE 126 1246 ? A -38.817 7.665 40.055 1.000 1 A 38.428 1 ATOM 1010 C C . ILE 126 1246 ? A -38.583 6.203 40.430 1.000 1 A 38.428 1 ATOM 1011 O O . ILE 126 1246 ? A -39.084 5.296 39.762 1.000 1 A 38.428 1 ATOM 1012 C CB . ILE 126 1246 ? A -40.208 8.127 40.544 1.000 1 A 38.428 1 ATOM 1013 C CG1 . ILE 126 1246 ? A -40.458 9.585 40.142 1.000 1 A 38.428 1 ATOM 1014 C CG2 . ILE 126 1246 ? A -40.335 7.947 42.060 1.000 1 A 38.428 1 ATOM 1015 C CD1 . ILE 126 1246 ? A -41.807 10.129 40.593 1.000 1 A 38.428 1 ATOM 1016 N N . PRO 127 1247 ? A -38.125 5.789 41.707 1.000 1 A 46.155 1 ATOM 1017 C CA . PRO 127 1247 ? A -37.088 5.810 42.741 1.000 1 A 46.155 1 ATOM 1018 C C . PRO 127 1247 ? A -36.850 4.438 43.366 1.000 1 A 46.155 1 ATOM 1019 O O . PRO 127 1247 ? A -37.674 3.533 43.211 1.000 1 A 46.155 1 ATOM 1020 C CB . PRO 127 1247 ? A -37.642 6.793 43.776 1.000 1 A 46.155 1 ATOM 1021 C CG . PRO 127 1247 ? A -39.120 6.569 43.761 1.000 1 A 46.155 1 ATOM 1022 C CD . PRO 127 1247 ? A -39.445 5.601 42.660 1.000 1 A 46.155 1 ATOM 1023 N N . GLN 128 1248 ? A -35.570 3.917 43.624 1.000 1 A 37.354 1 ATOM 1024 C CA . GLN 128 1248 ? A -35.300 3.193 44.862 1.000 1 A 37.354 1 ATOM 1025 C C . GLN 128 1248 ? A -33.913 2.557 44.836 1.000 1 A 37.354 1 ATOM 1026 O O . GLN 128 1248 ? A -33.576 1.828 43.900 1.000 1 A 37.354 1 ATOM 1027 C CB . GLN 128 1248 ? A -36.365 2.121 45.101 1.000 1 A 37.354 1 ATOM 1028 C CG . GLN 128 1248 ? A -37.380 2.491 46.174 1.000 1 A 37.354 1 ATOM 1029 C CD . GLN 128 1248 ? A -38.041 1.278 46.800 1.000 1 A 37.354 1 ATOM 1030 O OE1 . GLN 128 1248 ? A -38.325 0.288 46.118 1.000 1 A 37.354 1 ATOM 1031 N NE2 . GLN 128 1248 ? A -38.293 1.346 48.103 1.000 1 A 37.354 1 ATOM 1032 N N . GLY 129 1249 ? A -32.804 3.196 45.274 1.000 1 A 40.192 1 ATOM 1033 C CA . GLY 129 1249 ? A -31.995 2.551 46.295 1.000 1 A 40.192 1 ATOM 1034 C C . GLY 129 1249 ? A -30.555 3.027 46.306 1.000 1 A 40.192 1 ATOM 1035 O O . GLY 129 1249 ? A -29.935 3.170 45.250 1.000 1 A 40.192 1 ATOM 1036 N N . THR 130 1250 ? A -30.186 4.053 47.101 1.000 1 A 33.399 1 ATOM 1037 C CA . THR 130 1250 ? A -29.268 4.332 48.200 1.000 1 A 33.399 1 ATOM 1038 C C . THR 130 1250 ? A -27.936 3.618 47.986 1.000 1 A 33.399 1 ATOM 1039 O O . THR 130 1250 ? A -27.907 2.419 47.703 1.000 1 A 33.399 1 ATOM 1040 C CB . THR 130 1250 ? A -29.869 3.907 49.552 1.000 1 A 33.399 1 ATOM 1041 O OG1 . THR 130 1250 ? A -31.173 3.352 49.335 1.000 1 A 33.399 1 ATOM 1042 C CG2 . THR 130 1250 ? A -29.988 5.096 50.499 1.000 1 A 33.399 1 ATOM 1043 N N . ASN 131 1251 ? A -26.842 4.279 47.538 1.000 1 A 36.675 1 ATOM 1044 C CA . ASN 131 1251 ? A -25.594 4.186 48.287 1.000 1 A 36.675 1 ATOM 1045 C C . ASN 131 1251 ? A -24.500 5.049 47.663 1.000 1 A 36.675 1 ATOM 1046 O O . ASN 131 1251 ? A -24.141 4.857 46.500 1.000 1 A 36.675 1 ATOM 1047 C CB . ASN 131 1251 ? A -25.132 2.731 48.383 1.000 1 A 36.675 1 ATOM 1048 C CG . ASN 131 1251 ? A -25.497 2.088 49.707 1.000 1 A 36.675 1 ATOM 1049 O OD1 . ASN 131 1251 ? A -24.862 2.347 50.732 1.000 1 A 36.675 1 ATOM 1050 N ND2 . ASN 131 1251 ? A -26.524 1.247 49.694 1.000 1 A 36.675 1 ATOM 1051 N N . ILE 132 1252 ? A -24.414 6.316 47.953 1.000 1 A 40.322 1 ATOM 1052 C CA . ILE 132 1252 ? A -23.353 7.247 48.324 1.000 1 A 40.322 1 ATOM 1053 C C . ILE 132 1252 ? A -22.323 6.535 49.198 1.000 1 A 40.322 1 ATOM 1054 O O . ILE 132 1252 ? A -22.668 5.968 50.237 1.000 1 A 40.322 1 ATOM 1055 C CB . ILE 132 1252 ? A -23.918 8.483 49.059 1.000 1 A 40.322 1 ATOM 1056 C CG1 . ILE 132 1252 ? A -24.776 8.049 50.253 1.000 1 A 40.322 1 ATOM 1057 C CG2 . ILE 132 1252 ? A -24.722 9.363 48.098 1.000 1 A 40.322 1 ATOM 1058 C CD1 . ILE 132 1252 ? A -24.886 9.097 51.351 1.000 1 A 40.322 1 ATOM 1059 N N . THR 133 1253 ? A -21.246 5.942 48.750 1.000 1 A 44.564 1 ATOM 1060 C CA . THR 133 1253 ? A -19.987 5.818 49.475 1.000 1 A 44.564 1 ATOM 1061 C C . THR 133 1253 ? A -18.819 6.298 48.617 1.000 1 A 44.564 1 ATOM 1062 O O . THR 133 1253 ? A -18.645 5.841 47.486 1.000 1 A 44.564 1 ATOM 1063 C CB . THR 133 1253 ? A -19.738 4.364 49.918 1.000 1 A 44.564 1 ATOM 1064 O OG1 . THR 133 1253 ? A -20.989 3.753 50.254 1.000 1 A 44.564 1 ATOM 1065 C CG2 . THR 133 1253 ? A -18.816 4.309 51.132 1.000 1 A 44.564 1 ATOM 1066 N N . GLU 134 1254 ? A -18.369 7.570 48.653 1.000 1 A 38.202 1 ATOM 1067 C CA . GLU 134 1254 ? A -17.175 8.338 48.993 1.000 1 A 38.202 1 ATOM 1068 C C . GLU 134 1254 ? A -16.189 7.497 49.797 1.000 1 A 38.202 1 ATOM 1069 O O . GLU 134 1254 ? A -16.556 6.901 50.812 1.000 1 A 38.202 1 ATOM 1070 C CB . GLU 134 1254 ? A -17.552 9.599 49.775 1.000 1 A 38.202 1 ATOM 1071 C CG . GLU 134 1254 ? A -16.417 10.604 49.905 1.000 1 A 38.202 1 ATOM 1072 C CD . GLU 134 1254 ? A -16.695 11.695 50.927 1.000 1 A 38.202 1 ATOM 1073 O OE1 . GLU 134 1254 ? A -15.818 11.968 51.777 1.000 1 A 38.202 1 ATOM 1074 O OE2 . GLU 134 1254 ? A -17.800 12.281 50.876 1.000 1 A 38.202 1 ATOM 1075 N N . GLU 135 1255 ? A -15.010 6.898 49.266 1.000 1 A 43.111 1 ATOM 1076 C CA . GLU 135 1255 ? A -13.691 6.750 49.874 1.000 1 A 43.111 1 ATOM 1077 C C . GLU 135 1255 ? A -12.678 6.210 48.870 1.000 1 A 43.111 1 ATOM 1078 O O . GLU 135 1255 ? A -12.928 5.200 48.209 1.000 1 A 43.111 1 ATOM 1079 C CB . GLU 135 1255 ? A -13.763 5.831 51.096 1.000 1 A 43.111 1 ATOM 1080 C CG . GLU 135 1255 ? A -12.549 5.926 52.009 1.000 1 A 43.111 1 ATOM 1081 C CD . GLU 135 1255 ? A -12.377 4.712 52.908 1.000 1 A 43.111 1 ATOM 1082 O OE1 . GLU 135 1255 ? A -11.300 4.075 52.867 1.000 1 A 43.111 1 ATOM 1083 O OE2 . GLU 135 1255 ? A -13.327 4.395 53.658 1.000 1 A 43.111 1 ATOM 1084 N N . LYS 136 1256 ? A -11.839 7.031 48.224 1.000 1 A 40.640 1 ATOM 1085 C CA . LYS 136 1256 ? A -10.408 7.176 47.972 1.000 1 A 40.640 1 ATOM 1086 C C . LYS 136 1256 ? A -9.627 5.996 48.543 1.000 1 A 40.640 1 ATOM 1087 O O . LYS 136 1256 ? A -9.922 5.523 49.642 1.000 1 A 40.640 1 ATOM 1088 C CB . LYS 136 1256 ? A -9.888 8.485 48.568 1.000 1 A 40.640 1 ATOM 1089 C CG . LYS 136 1256 ? A -10.097 9.698 47.673 1.000 1 A 40.640 1 ATOM 1090 C CD . LYS 136 1256 ? A -8.793 10.147 47.027 1.000 1 A 40.640 1 ATOM 1091 C CE . LYS 136 1256 ? A -9.034 11.188 45.942 1.000 1 A 40.640 1 ATOM 1092 N NZ . LYS 136 1256 ? A -7.807 11.992 45.663 1.000 1 A 40.640 1 ATOM 1093 N N . PRO 137 1257 ? A -8.288 5.599 48.091 1.000 1 A 47.432 1 ATOM 1094 C CA . PRO 137 1257 ? A -7.292 5.331 47.051 1.000 1 A 47.432 1 ATOM 1095 C C . PRO 137 1257 ? A -6.600 3.982 47.230 1.000 1 A 47.432 1 ATOM 1096 O O . PRO 137 1257 ? A -6.683 3.379 48.303 1.000 1 A 47.432 1 ATOM 1097 C CB . PRO 137 1257 ? A -6.295 6.482 47.214 1.000 1 A 47.432 1 ATOM 1098 C CG . PRO 137 1257 ? A -6.253 6.746 48.684 1.000 1 A 47.432 1 ATOM 1099 C CD . PRO 137 1257 ? A -7.285 5.885 49.353 1.000 1 A 47.432 1 ATOM 1100 N N . GLY 138 1258 ? A -6.127 3.209 46.158 1.000 1 A 33.599 1 ATOM 1101 C CA . GLY 138 1258 ? A -4.773 2.683 46.228 1.000 1 A 33.599 1 ATOM 1102 C C . GLY 138 1258 ? A -4.680 1.220 45.835 1.000 1 A 33.599 1 ATOM 1103 O O . GLY 138 1258 ? A -5.513 0.409 46.244 1.000 1 A 33.599 1 ATOM 1104 N N . ARG 139 1259 ? A -4.273 0.871 44.598 1.000 1 A 39.401 1 ATOM 1105 C CA . ARG 139 1259 ? A -3.163 0.035 44.152 1.000 1 A 39.401 1 ATOM 1106 C C . ARG 139 1259 ? A -3.460 -1.442 44.388 1.000 1 A 39.401 1 ATOM 1107 O O . ARG 139 1259 ? A -3.750 -1.850 45.514 1.000 1 A 39.401 1 ATOM 1108 C CB . ARG 139 1259 ? A -1.870 0.430 44.868 1.000 1 A 39.401 1 ATOM 1109 C CG . ARG 139 1259 ? A -1.144 1.602 44.227 1.000 1 A 39.401 1 ATOM 1110 C CD . ARG 139 1259 ? A 0.335 1.616 44.590 1.000 1 A 39.401 1 ATOM 1111 N NE . ARG 139 1259 ? A 0.803 2.966 44.889 1.000 1 A 39.401 1 ATOM 1112 C CZ . ARG 139 1259 ? A 1.926 3.500 44.417 1.000 1 A 39.401 1 ATOM 1113 N NH1 . ARG 139 1259 ? A 2.721 2.806 43.611 1.000 1 A 39.401 1 ATOM 1114 N NH2 . ARG 139 1259 ? A 2.258 4.739 44.753 1.000 1 A 39.401 1 ATOM 1115 N N . LYS 140 1260 ? A -4.165 -2.206 43.492 1.000 1 A 47.607 1 ATOM 1116 C CA . LYS 140 1260 ? A -3.946 -3.635 43.288 1.000 1 A 47.607 1 ATOM 1117 C C . LYS 140 1260 ? A -4.554 -4.101 41.968 1.000 1 A 47.607 1 ATOM 1118 O O . LYS 140 1260 ? A -5.707 -3.786 41.664 1.000 1 A 47.607 1 ATOM 1119 C CB . LYS 140 1260 ? A -4.532 -4.440 44.449 1.000 1 A 47.607 1 ATOM 1120 C CG . LYS 140 1260 ? A -3.601 -4.568 45.645 1.000 1 A 47.607 1 ATOM 1121 C CD . LYS 140 1260 ? A -4.050 -5.679 46.586 1.000 1 A 47.607 1 ATOM 1122 C CE . LYS 140 1260 ? A -3.053 -5.892 47.717 1.000 1 A 47.607 1 ATOM 1123 N NZ . LYS 140 1260 ? A -3.431 -7.052 48.579 1.000 1 A 47.607 1 ATOM 1124 N N . ARG 141 1261 ? A -3.895 -4.112 40.828 1.000 1 A 36.932 1 ATOM 1125 C CA . ARG 141 1261 ? A -3.724 -5.190 39.859 1.000 1 A 36.932 1 ATOM 1126 C C . ARG 141 1261 ? A -4.921 -6.135 39.874 1.000 1 A 36.932 1 ATOM 1127 O O . ARG 141 1261 ? A -5.375 -6.553 40.941 1.000 1 A 36.932 1 ATOM 1128 C CB . ARG 141 1261 ? A -2.438 -5.969 40.142 1.000 1 A 36.932 1 ATOM 1129 C CG . ARG 141 1261 ? A -1.992 -6.860 38.993 1.000 1 A 36.932 1 ATOM 1130 C CD . ARG 141 1261 ? A -0.618 -7.463 39.248 1.000 1 A 36.932 1 ATOM 1131 N NE . ARG 141 1261 ? A 0.076 -7.770 38.000 1.000 1 A 36.932 1 ATOM 1132 C CZ . ARG 141 1261 ? A 1.282 -8.325 37.921 1.000 1 A 36.932 1 ATOM 1133 N NH1 . ARG 141 1261 ? A 1.955 -8.646 39.020 1.000 1 A 36.932 1 ATOM 1134 N NH2 . ARG 141 1261 ? A 1.821 -8.561 36.733 1.000 1 A 36.932 1 ATOM 1135 N N . ALA 142 1262 ? A -5.911 -6.038 38.895 1.000 1 A 43.645 1 ATOM 1136 C CA . ALA 142 1262 ? A -6.538 -7.223 38.316 1.000 1 A 43.645 1 ATOM 1137 C C . ALA 142 1262 ? A -7.330 -6.866 37.061 1.000 1 A 43.645 1 ATOM 1138 O O . ALA 142 1262 ? A -8.105 -5.907 37.060 1.000 1 A 43.645 1 ATOM 1139 C CB . ALA 142 1262 ? A -7.446 -7.898 39.340 1.000 1 A 43.645 1 ATOM 1140 N N . GLU 143 1263 ? A -6.704 -6.863 35.868 1.000 1 A 41.775 1 ATOM 1141 C CA . GLU 143 1263 ? A -7.102 -7.599 34.672 1.000 1 A 41.775 1 ATOM 1142 C C . GLU 143 1263 ? A -8.530 -8.121 34.795 1.000 1 A 41.775 1 ATOM 1143 O O . GLU 143 1263 ? A -8.826 -8.936 35.671 1.000 1 A 41.775 1 ATOM 1144 C CB . GLU 143 1263 ? A -6.138 -8.760 34.410 1.000 1 A 41.775 1 ATOM 1145 C CG . GLU 143 1263 ? A -4.946 -8.385 33.541 1.000 1 A 41.775 1 ATOM 1146 C CD . GLU 143 1263 ? A -4.205 -9.591 32.986 1.000 1 A 41.775 1 ATOM 1147 O OE1 . GLU 143 1263 ? A -3.658 -9.503 31.863 1.000 1 A 41.775 1 ATOM 1148 O OE2 . GLU 143 1263 ? A -4.172 -10.632 33.679 1.000 1 A 41.775 1 ATOM 1149 N N . ALA 144 1264 ? A -9.550 -7.255 34.897 1.000 1 A 40.214 1 ATOM 1150 C CA . ALA 144 1264 ? A -10.975 -7.554 34.775 1.000 1 A 40.214 1 ATOM 1151 C C . ALA 144 1264 ? A -11.590 -6.816 33.589 1.000 1 A 40.214 1 ATOM 1152 O O . ALA 144 1264 ? A -11.414 -5.604 33.445 1.000 1 A 40.214 1 ATOM 1153 C CB . ALA 144 1264 ? A -11.707 -7.188 36.063 1.000 1 A 40.214 1 ATOM 1154 N N . LYS 145 1265 ? A -11.517 -7.349 32.406 1.000 1 A 47.099 1 ATOM 1155 C CA . LYS 145 1265 ? A -12.676 -7.739 31.608 1.000 1 A 47.099 1 ATOM 1156 C C . LYS 145 1265 ? A -13.266 -6.539 30.873 1.000 1 A 47.099 1 ATOM 1157 O O . LYS 145 1265 ? A -13.830 -5.638 31.497 1.000 1 A 47.099 1 ATOM 1158 C CB . LYS 145 1265 ? A -13.742 -8.389 32.491 1.000 1 A 47.099 1 ATOM 1159 C CG . LYS 145 1265 ? A -14.074 -9.823 32.107 1.000 1 A 47.099 1 ATOM 1160 C CD . LYS 145 1265 ? A -15.211 -10.380 32.955 1.000 1 A 47.099 1 ATOM 1161 C CE . LYS 145 1265 ? A -15.521 -11.826 32.594 1.000 1 A 47.099 1 ATOM 1162 N NZ . LYS 145 1265 ? A -16.728 -12.330 33.316 1.000 1 A 47.099 1 ATOM 1163 N N . GLY 146 1266 ? A -12.700 -5.984 29.863 1.000 1 A 46.882 1 ATOM 1164 C CA . GLY 146 1266 ? A -13.629 -5.388 28.917 1.000 1 A 46.882 1 ATOM 1165 C C . GLY 146 1266 ? A -13.515 -5.970 27.521 1.000 1 A 46.882 1 ATOM 1166 O O . GLY 146 1266 ? A -12.469 -5.857 26.879 1.000 1 A 46.882 1 ATOM 1167 N N . ASN 147 1267 ? A -13.941 -7.185 27.381 1.000 1 A 43.649 1 ATOM 1168 C CA . ASN 147 1267 ? A -14.866 -7.928 26.531 1.000 1 A 43.649 1 ATOM 1169 C C . ASN 147 1267 ? A -15.374 -7.073 25.374 1.000 1 A 43.649 1 ATOM 1170 O O . ASN 147 1267 ? A -16.221 -6.199 25.567 1.000 1 A 43.649 1 ATOM 1171 C CB . ASN 147 1267 ? A -16.041 -8.460 27.354 1.000 1 A 43.649 1 ATOM 1172 C CG . ASN 147 1267 ? A -15.596 -9.167 28.619 1.000 1 A 43.649 1 ATOM 1173 O OD1 . ASN 147 1267 ? A -14.675 -8.716 29.305 1.000 1 A 43.649 1 ATOM 1174 N ND2 . ASN 147 1267 ? A -16.246 -10.281 28.936 1.000 1 A 43.649 1 ATOM 1175 N N . ARG 148 1268 ? A -14.638 -6.698 24.462 1.000 1 A 59.370 1 ATOM 1176 C CA . ARG 148 1268 ? A -15.223 -6.445 23.150 1.000 1 A 59.370 1 ATOM 1177 C C . ARG 148 1268 ? A -14.795 -7.509 22.144 1.000 1 A 59.370 1 ATOM 1178 O O . ARG 148 1268 ? A -13.623 -7.580 21.769 1.000 1 A 59.370 1 ATOM 1179 C CB . ARG 148 1268 ? A -14.828 -5.056 22.643 1.000 1 A 59.370 1 ATOM 1180 C CG . ARG 148 1268 ? A -15.722 -4.527 21.533 1.000 1 A 59.370 1 ATOM 1181 C CD . ARG 148 1268 ? A -15.288 -3.144 21.069 1.000 1 A 59.370 1 ATOM 1182 N NE . ARG 148 1268 ? A -16.131 -2.096 21.636 1.000 1 A 59.370 1 ATOM 1183 C CZ . ARG 148 1268 ? A -17.030 -1.393 20.953 1.000 1 A 59.370 1 ATOM 1184 N NH1 . ARG 148 1268 ? A -17.221 -1.615 19.657 1.000 1 A 59.370 1 ATOM 1185 N NH2 . ARG 148 1268 ? A -17.743 -0.462 21.569 1.000 1 A 59.370 1 ATOM 1186 N N . SER 149 1269 ? A -14.895 -8.874 22.442 1.000 1 A 44.202 1 ATOM 1187 C CA . SER 149 1269 ? A -15.025 -10.144 21.734 1.000 1 A 44.202 1 ATOM 1188 C C . SER 149 1269 ? A -15.923 -10.004 20.509 1.000 1 A 44.202 1 ATOM 1189 O O . SER 149 1269 ? A -17.027 -9.463 20.601 1.000 1 A 44.202 1 ATOM 1190 C CB . SER 149 1269 ? A -15.583 -11.222 22.665 1.000 1 A 44.202 1 ATOM 1191 O OG . SER 149 1269 ? A -14.779 -11.350 23.825 1.000 1 A 44.202 1 ATOM 1192 N N . TRP 150 1270 ? A -15.569 -9.517 19.337 1.000 1 A 33.973 1 ATOM 1193 C CA . TRP 150 1270 ? A -16.124 -9.897 18.042 1.000 1 A 33.973 1 ATOM 1194 C C . TRP 150 1270 ? A -16.438 -11.389 18.001 1.000 1 A 33.973 1 ATOM 1195 O O . TRP 150 1270 ? A -15.550 -12.222 18.194 1.000 1 A 33.973 1 ATOM 1196 C CB . TRP 150 1270 ? A -15.154 -9.536 16.914 1.000 1 A 33.973 1 ATOM 1197 C CG . TRP 150 1270 ? A -14.875 -8.067 16.798 1.000 1 A 33.973 1 ATOM 1198 C CD1 . TRP 150 1270 ? A -13.796 -7.391 17.297 1.000 1 A 33.973 1 ATOM 1199 C CD2 . TRP 150 1270 ? A -15.692 -7.092 16.143 1.000 1 A 33.973 1 ATOM 1200 N NE1 . TRP 150 1270 ? A -13.894 -6.053 16.991 1.000 1 A 33.973 1 ATOM 1201 C CE2 . TRP 150 1270 ? A -15.047 -5.843 16.284 1.000 1 A 33.973 1 ATOM 1202 C CE3 . TRP 150 1270 ? A -16.908 -7.153 15.449 1.000 1 A 33.973 1 ATOM 1203 C CZ2 . TRP 150 1270 ? A -15.578 -4.664 15.755 1.000 1 A 33.973 1 ATOM 1204 C CZ3 . TRP 150 1270 ? A -17.435 -5.979 14.924 1.000 1 A 33.973 1 ATOM 1205 C CH2 . TRP 150 1270 ? A -16.768 -4.752 15.081 1.000 1 A 33.973 1 ATOM 1206 N N . SER 151 1271 ? A -17.418 -11.959 18.737 1.000 1 A 37.403 1 ATOM 1207 C CA . SER 151 1271 ? A -18.126 -13.228 18.599 1.000 1 A 37.403 1 ATOM 1208 C C . SER 151 1271 ? A -18.035 -13.759 17.172 1.000 1 A 37.403 1 ATOM 1209 O O . SER 151 1271 ? A -18.278 -13.024 16.213 1.000 1 A 37.403 1 ATOM 1210 C CB . SER 151 1271 ? A -19.593 -13.070 19.000 1.000 1 A 37.403 1 ATOM 1211 O OG . SER 151 1271 ? A -20.128 -11.861 18.486 1.000 1 A 37.403 1 ATOM 1212 N N . GLU 152 1272 ? A -17.050 -14.502 16.849 1.000 1 A 44.792 1 ATOM 1213 C CA . GLU 152 1272 ? A -16.943 -15.670 15.980 1.000 1 A 44.792 1 ATOM 1214 C C . GLU 152 1272 ? A -18.282 -16.390 15.856 1.000 1 A 44.792 1 ATOM 1215 O O . GLU 152 1272 ? A -18.866 -16.804 16.860 1.000 1 A 44.792 1 ATOM 1216 C CB . GLU 152 1272 ? A -15.874 -16.633 16.504 1.000 1 A 44.792 1 ATOM 1217 C CG . GLU 152 1272 ? A -15.381 -17.629 15.464 1.000 1 A 44.792 1 ATOM 1218 C CD . GLU 152 1272 ? A -14.196 -18.455 15.938 1.000 1 A 44.792 1 ATOM 1219 O OE1 . GLU 152 1272 ? A -14.375 -19.657 16.237 1.000 1 A 44.792 1 ATOM 1220 O OE2 . GLU 152 1272 ? A -13.080 -17.894 16.013 1.000 1 A 44.792 1 ATOM 1221 N N . GLU 153 1273 ? A -19.371 -15.780 15.435 1.000 1 A 40.729 1 ATOM 1222 C CA . GLU 153 1273 ? A -20.518 -16.406 14.783 1.000 1 A 40.729 1 ATOM 1223 C C . GLU 153 1273 ? A -20.154 -17.777 14.222 1.000 1 A 40.729 1 ATOM 1224 O O . GLU 153 1273 ? A -19.126 -17.929 13.558 1.000 1 A 40.729 1 ATOM 1225 C CB . GLU 153 1273 ? A -21.059 -15.507 13.668 1.000 1 A 40.729 1 ATOM 1226 C CG . GLU 153 1273 ? A -22.181 -16.141 12.857 1.000 1 A 40.729 1 ATOM 1227 C CD . GLU 153 1273 ? A -23.486 -15.364 12.929 1.000 1 A 40.729 1 ATOM 1228 O OE1 . GLU 153 1273 ? A -24.386 -15.611 12.095 1.000 1 A 40.729 1 ATOM 1229 O OE2 . GLU 153 1273 ? A -23.609 -14.501 13.827 1.000 1 A 40.729 1 ATOM 1230 N N . SER 154 1274 ? A -20.108 -18.921 14.997 1.000 1 A 35.439 1 ATOM 1231 C CA . SER 154 1274 ? A -20.690 -20.258 14.954 1.000 1 A 35.439 1 ATOM 1232 C C . SER 154 1274 ? A -20.786 -20.774 13.522 1.000 1 A 35.439 1 ATOM 1233 O O . SER 154 1274 ? A -21.607 -20.294 12.738 1.000 1 A 35.439 1 ATOM 1234 C CB . SER 154 1274 ? A -22.077 -20.260 15.599 1.000 1 A 35.439 1 ATOM 1235 O OG . SER 154 1274 ? A -21.994 -19.917 16.971 1.000 1 A 35.439 1 ATOM 1236 N N . LEU 155 1275 ? A -19.702 -20.936 12.805 1.000 1 A 45.028 1 ATOM 1237 C CA . LEU 155 1275 ? A -19.784 -21.872 11.689 1.000 1 A 45.028 1 ATOM 1238 C C . LEU 155 1275 ? A -19.846 -23.311 12.191 1.000 1 A 45.028 1 ATOM 1239 O O . LEU 155 1275 ? A -19.007 -23.731 12.990 1.000 1 A 45.028 1 ATOM 1240 C CB . LEU 155 1275 ? A -18.586 -21.697 10.753 1.000 1 A 45.028 1 ATOM 1241 C CG . LEU 155 1275 ? A -18.457 -20.338 10.063 1.000 1 A 45.028 1 ATOM 1242 C CD1 . LEU 155 1275 ? A -17.135 -20.250 9.308 1.000 1 A 45.028 1 ATOM 1243 C CD2 . LEU 155 1275 ? A -19.633 -20.103 9.121 1.000 1 A 45.028 1 ATOM 1244 N N . LYS 156 1276 ? A -20.885 -23.755 12.884 1.000 1 A 34.191 1 ATOM 1245 C CA . LYS 156 1276 ? A -21.457 -25.099 12.909 1.000 1 A 34.191 1 ATOM 1246 C C . LYS 156 1276 ? A -20.666 -26.049 12.014 1.000 1 A 34.191 1 ATOM 1247 O O . LYS 156 1276 ? A -20.590 -25.849 10.800 1.000 1 A 34.191 1 ATOM 1248 C CB . LYS 156 1276 ? A -22.923 -25.067 12.473 1.000 1 A 34.191 1 ATOM 1249 C CG . LYS 156 1276 ? A -23.886 -24.647 13.573 1.000 1 A 34.191 1 ATOM 1250 C CD . LYS 156 1276 ? A -25.329 -24.965 13.204 1.000 1 A 34.191 1 ATOM 1251 C CE . LYS 156 1276 ? A -26.285 -24.634 14.342 1.000 1 A 34.191 1 ATOM 1252 N NZ . LYS 156 1276 ? A -27.711 -24.679 13.900 1.000 1 A 34.191 1 ATOM 1253 N N . PRO 157 1277 ? A -19.570 -26.713 12.416 1.000 1 A 43.478 1 ATOM 1254 C CA . PRO 157 1277 ? A -19.339 -27.919 11.618 1.000 1 A 43.478 1 ATOM 1255 C C . PRO 157 1277 ? A -20.306 -29.049 11.963 1.000 1 A 43.478 1 ATOM 1256 O O . PRO 157 1277 ? A -20.634 -29.250 13.136 1.000 1 A 43.478 1 ATOM 1257 C CB . PRO 157 1277 ? A -17.900 -28.305 11.972 1.000 1 A 43.478 1 ATOM 1258 C CG . PRO 157 1277 ? A -17.634 -27.630 13.278 1.000 1 A 43.478 1 ATOM 1259 C CD . PRO 157 1277 ? A -18.784 -26.715 13.586 1.000 1 A 43.478 1 ATOM 1260 N N . SER 158 1278 ? A -21.560 -28.958 11.520 1.000 1 A 39.237 1 ATOM 1261 C CA . SER 158 1278 ? A -22.443 -30.093 11.269 1.000 1 A 39.237 1 ATOM 1262 C C . SER 158 1278 ? A -21.721 -31.416 11.502 1.000 1 A 39.237 1 ATOM 1263 O O . SER 158 1278 ? A -20.568 -31.580 11.096 1.000 1 A 39.237 1 ATOM 1264 C CB . SER 158 1278 ? A -22.988 -30.044 9.841 1.000 1 A 39.237 1 ATOM 1265 O OG . SER 158 1278 ? A -24.194 -29.302 9.789 1.000 1 A 39.237 1 ATOM 1266 N N . ASP 159 1279 ? A -21.729 -32.018 12.682 1.000 1 A 36.422 1 ATOM 1267 C CA . ASP 159 1279 ? A -22.308 -33.210 13.294 1.000 1 A 36.422 1 ATOM 1268 C C . ASP 159 1279 ? A -22.008 -34.455 12.463 1.000 1 A 36.422 1 ATOM 1269 O O . ASP 159 1279 ? A -22.568 -34.635 11.379 1.000 1 A 36.422 1 ATOM 1270 C CB . ASP 159 1279 ? A -23.820 -33.045 13.466 1.000 1 A 36.422 1 ATOM 1271 C CG . ASP 159 1279 ? A -24.403 -33.978 14.513 1.000 1 A 36.422 1 ATOM 1272 O OD1 . ASP 159 1279 ? A -23.637 -34.532 15.331 1.000 1 A 36.422 1 ATOM 1273 O OD2 . ASP 159 1279 ? A -25.639 -34.164 14.517 1.000 1 A 36.422 1 ATOM 1274 N N . ASN 160 1280 ? A -20.793 -34.944 12.330 1.000 1 A 38.342 1 ATOM 1275 C CA . ASN 160 1280 ? A -20.697 -36.393 12.186 1.000 1 A 38.342 1 ATOM 1276 C C . ASN 160 1280 ? A -19.891 -37.018 13.320 1.000 1 A 38.342 1 ATOM 1277 O O . ASN 160 1280 ? A -18.800 -36.546 13.645 1.000 1 A 38.342 1 ATOM 1278 C CB . ASN 160 1280 ? A -20.082 -36.758 10.833 1.000 1 A 38.342 1 ATOM 1279 C CG . ASN 160 1280 ? A -20.826 -37.880 10.136 1.000 1 A 38.342 1 ATOM 1280 O OD1 . ASN 160 1280 ? A -21.948 -38.227 10.516 1.000 1 A 38.342 1 ATOM 1281 N ND2 . ASN 160 1280 ? A -20.209 -38.454 9.110 1.000 1 A 38.342 1 ATOM 1282 N N . GLU 161 1281 ? A -20.408 -37.319 14.632 1.000 1 A 39.764 1 ATOM 1283 C CA . GLU 161 1281 ? A -20.602 -38.419 15.572 1.000 1 A 39.764 1 ATOM 1284 C C . GLU 161 1281 ? A -19.433 -39.399 15.524 1.000 1 A 39.764 1 ATOM 1285 O O . GLU 161 1281 ? A -19.111 -39.938 14.463 1.000 1 A 39.764 1 ATOM 1286 C CB . GLU 161 1281 ? A -21.914 -39.151 15.280 1.000 1 A 39.764 1 ATOM 1287 C CG . GLU 161 1281 ? A -22.102 -39.517 13.815 1.000 1 A 39.764 1 ATOM 1288 C CD . GLU 161 1281 ? A -23.455 -40.145 13.522 1.000 1 A 39.764 1 ATOM 1289 O OE1 . GLU 161 1281 ? A -24.401 -39.409 13.161 1.000 1 A 39.764 1 ATOM 1290 O OE2 . GLU 161 1281 ? A -23.570 -41.384 13.655 1.000 1 A 39.764 1 ATOM 1291 N N . GLN 162 1282 ? A -18.298 -39.150 16.014 1.000 1 A 40.774 1 ATOM 1292 C CA . GLN 162 1282 ? A -17.584 -40.189 16.749 1.000 1 A 40.774 1 ATOM 1293 C C . GLN 162 1282 ? A -16.812 -39.598 17.925 1.000 1 A 40.774 1 ATOM 1294 O O . GLN 162 1282 ? A -16.039 -38.653 17.755 1.000 1 A 40.774 1 ATOM 1295 C CB . GLN 162 1282 ? A -16.631 -40.945 15.822 1.000 1 A 40.774 1 ATOM 1296 C CG . GLN 162 1282 ? A -17.337 -41.798 14.777 1.000 1 A 40.774 1 ATOM 1297 C CD . GLN 162 1282 ? A -16.422 -42.829 14.144 1.000 1 A 40.774 1 ATOM 1298 O OE1 . GLN 162 1282 ? A -15.207 -42.821 14.369 1.000 1 A 40.774 1 ATOM 1299 N NE2 . GLN 162 1282 ? A -16.996 -43.723 13.346 1.000 1 A 40.774 1 ATOM 1300 N N . GLY 163 1283 ? A -17.435 -39.174 19.087 1.000 1 A 38.459 1 ATOM 1301 C CA . GLY 163 1283 ? A -17.123 -39.728 20.395 1.000 1 A 38.459 1 ATOM 1302 C C . GLY 163 1283 ? A -15.640 -39.711 20.712 1.000 1 A 38.459 1 ATOM 1303 O O . GLY 163 1283 ? A -14.834 -40.270 19.965 1.000 1 A 38.459 1 ATOM 1304 N N . LEU 164 1284 ? A -15.195 -38.642 21.301 1.000 1 A 33.969 1 ATOM 1305 C CA . LEU 164 1284 ? A -14.349 -38.214 22.410 1.000 1 A 33.969 1 ATOM 1306 C C . LEU 164 1284 ? A -12.979 -38.880 22.336 1.000 1 A 33.969 1 ATOM 1307 O O . LEU 164 1284 ? A -12.868 -40.037 21.925 1.000 1 A 33.969 1 ATOM 1308 C CB . LEU 164 1284 ? A -15.016 -38.538 23.750 1.000 1 A 33.969 1 ATOM 1309 C CG . LEU 164 1284 ? A -16.288 -37.756 24.080 1.000 1 A 33.969 1 ATOM 1310 C CD1 . LEU 164 1284 ? A -16.930 -38.303 25.351 1.000 1 A 33.969 1 ATOM 1311 C CD2 . LEU 164 1284 ? A -15.980 -36.270 24.228 1.000 1 A 33.969 1 ATOM 1312 N N . PRO 165 1285 ? A -11.924 -38.322 23.163 1.000 1 A 45.995 1 ATOM 1313 C CA . PRO 165 1285 ? A -12.013 -37.618 24.444 1.000 1 A 45.995 1 ATOM 1314 C C . PRO 165 1285 ? A -10.790 -36.748 24.726 1.000 1 A 45.995 1 ATOM 1315 O O . PRO 165 1285 ? A -9.760 -36.891 24.062 1.000 1 A 45.995 1 ATOM 1316 C CB . PRO 165 1285 ? A -12.121 -38.755 25.464 1.000 1 A 45.995 1 ATOM 1317 C CG . PRO 165 1285 ? A -11.269 -39.849 24.908 1.000 1 A 45.995 1 ATOM 1318 C CD . PRO 165 1285 ? A -10.796 -39.439 23.543 1.000 1 A 45.995 1 ATOM 1319 N N . VAL 166 1286 ? A -11.015 -35.470 25.089 1.000 1 A 35.938 1 ATOM 1320 C CA . VAL 166 1286 ? A -10.681 -34.624 26.230 1.000 1 A 35.938 1 ATOM 1321 C C . VAL 166 1286 ? A -9.931 -35.443 27.278 1.000 1 A 35.938 1 ATOM 1322 O O . VAL 166 1286 ? A -10.345 -36.553 27.621 1.000 1 A 35.938 1 ATOM 1323 C CB . VAL 166 1286 ? A -11.944 -33.989 26.854 1.000 1 A 35.938 1 ATOM 1324 C CG1 . VAL 166 1286 ? A -11.608 -33.313 28.182 1.000 1 A 35.938 1 ATOM 1325 C CG2 . VAL 166 1286 ? A -12.571 -32.988 25.885 1.000 1 A 35.938 1 ATOM 1326 N N . PHE 167 1287 ? A -8.616 -35.603 27.209 1.000 1 A 37.297 1 ATOM 1327 C CA . PHE 167 1287 ? A -7.963 -35.940 28.468 1.000 1 A 37.297 1 ATOM 1328 C C . PHE 167 1287 ? A -6.585 -35.295 28.553 1.000 1 A 37.297 1 ATOM 1329 O O . PHE 167 1287 ? A -5.798 -35.372 27.607 1.000 1 A 37.297 1 ATOM 1330 C CB . PHE 167 1287 ? A -7.841 -37.460 28.622 1.000 1 A 37.297 1 ATOM 1331 C CG . PHE 167 1287 ? A -9.028 -38.099 29.289 1.000 1 A 37.297 1 ATOM 1332 C CD1 . PHE 167 1287 ? A -9.160 -38.079 30.672 1.000 1 A 37.297 1 ATOM 1333 C CD2 . PHE 167 1287 ? A -10.013 -38.722 28.533 1.000 1 A 37.297 1 ATOM 1334 C CE1 . PHE 167 1287 ? A -10.258 -38.670 31.293 1.000 1 A 37.297 1 ATOM 1335 C CE2 . PHE 167 1287 ? A -11.113 -39.315 29.146 1.000 1 A 37.297 1 ATOM 1336 C CZ . PHE 167 1287 ? A -11.233 -39.289 30.526 1.000 1 A 37.297 1 ATOM 1337 N N . SER 168 1288 ? A -6.491 -34.231 29.409 1.000 1 A 39.129 1 ATOM 1338 C CA . SER 168 1288 ? A -5.848 -33.931 30.684 1.000 1 A 39.129 1 ATOM 1339 C C . SER 168 1288 ? A -5.107 -35.148 31.229 1.000 1 A 39.129 1 ATOM 1340 O O . SER 168 1288 ? A -5.622 -36.267 31.183 1.000 1 A 39.129 1 ATOM 1341 C CB . SER 168 1288 ? A -6.881 -33.453 31.706 1.000 1 A 39.129 1 ATOM 1342 O OG . SER 168 1288 ? A -7.559 -32.301 31.235 1.000 1 A 39.129 1 ATOM 1343 N N . GLY 169 1289 ? A -3.865 -35.198 31.064 1.000 1 A 36.182 1 ATOM 1344 C CA . GLY 169 1289 ? A -2.899 -35.584 32.080 1.000 1 A 36.182 1 ATOM 1345 C C . GLY 169 1289 ? A -2.632 -37.077 32.114 1.000 1 A 36.182 1 ATOM 1346 O O . GLY 169 1289 ? A -3.566 -37.880 32.072 1.000 1 A 36.182 1 ATOM 1347 N N . SER 170 1290 ? A -1.700 -37.578 31.297 1.000 1 A 33.253 1 ATOM 1348 C CA . SER 170 1290 ? A -0.672 -38.599 31.472 1.000 1 A 33.253 1 ATOM 1349 C C . SER 170 1290 ? A -1.117 -39.937 30.892 1.000 1 A 33.253 1 ATOM 1350 O O . SER 170 1290 ? A -2.246 -40.375 31.123 1.000 1 A 33.253 1 ATOM 1351 C CB . SER 170 1290 ? A -0.327 -38.765 32.953 1.000 1 A 33.253 1 ATOM 1352 O OG . SER 170 1290 ? A 0.313 -40.008 33.184 1.000 1 A 33.253 1 ATOM 1353 N N . PRO 171 1291 ? A -0.239 -40.742 30.156 1.000 1 A 47.304 1 ATOM 1354 C CA . PRO 171 1291 ? A -0.453 -41.780 29.145 1.000 1 A 47.304 1 ATOM 1355 C C . PRO 171 1291 ? A -0.512 -43.184 29.743 1.000 1 A 47.304 1 ATOM 1356 O O . PRO 171 1291 ? A 0.210 -43.482 30.698 1.000 1 A 47.304 1 ATOM 1357 C CB . PRO 171 1291 ? A 0.759 -41.629 28.223 1.000 1 A 47.304 1 ATOM 1358 C CG . PRO 171 1291 ? A 1.810 -40.993 29.074 1.000 1 A 47.304 1 ATOM 1359 C CD . PRO 171 1291 ? A 1.229 -40.734 30.434 1.000 1 A 47.304 1 ATOM 1360 N N . PRO 172 1292 ? A -1.545 -43.962 29.400 1.000 1 A 39.516 1 ATOM 1361 C CA . PRO 172 1292 ? A -1.401 -45.383 29.727 1.000 1 A 39.516 1 ATOM 1362 C C . PRO 172 1292 ? A -1.258 -46.262 28.487 1.000 1 A 39.516 1 ATOM 1363 O O . PRO 172 1292 ? A -1.781 -45.923 27.422 1.000 1 A 39.516 1 ATOM 1364 C CB . PRO 172 1292 ? A -2.695 -45.705 30.479 1.000 1 A 39.516 1 ATOM 1365 C CG . PRO 172 1292 ? A -3.710 -44.767 29.910 1.000 1 A 39.516 1 ATOM 1366 C CD . PRO 172 1292 ? A -3.004 -43.774 29.033 1.000 1 A 39.516 1 ATOM 1367 N N . MET 173 1293 ? A -0.085 -46.850 28.215 1.000 1 A 31.425 1 ATOM 1368 C CA . MET 173 1293 ? A 0.379 -48.193 27.880 1.000 1 A 31.425 1 ATOM 1369 C C . MET 173 1293 ? A -0.705 -49.229 28.160 1.000 1 A 31.425 1 ATOM 1370 O O . MET 173 1293 ? A -1.351 -49.189 29.208 1.000 1 A 31.425 1 ATOM 1371 C CB . MET 173 1293 ? A 1.646 -48.537 28.664 1.000 1 A 31.425 1 ATOM 1372 C CG . MET 173 1293 ? A 2.821 -47.620 28.363 1.000 1 A 31.425 1 ATOM 1373 S SD . MET 173 1293 ? A 4.288 -48.535 27.750 1.000 1 A 31.425 1 ATOM 1374 C CE . MET 173 1293 ? A 4.952 -47.324 26.573 1.000 1 A 31.425 1 ATOM 1375 N N . LYS 174 1294 ? A -1.279 -49.840 27.094 1.000 1 A 37.005 1 ATOM 1376 C CA . LYS 174 1294 ? A -1.693 -51.227 26.904 1.000 1 A 37.005 1 ATOM 1377 C C . LYS 174 1294 ? A -2.495 -51.390 25.615 1.000 1 A 37.005 1 ATOM 1378 O O . LYS 174 1294 ? A -3.430 -50.629 25.360 1.000 1 A 37.005 1 ATOM 1379 C CB . LYS 174 1294 ? A -2.517 -51.710 28.098 1.000 1 A 37.005 1 ATOM 1380 C CG . LYS 174 1294 ? A -2.016 -51.202 29.442 1.000 1 A 37.005 1 ATOM 1381 C CD . LYS 174 1294 ? A -2.977 -51.559 30.568 1.000 1 A 37.005 1 ATOM 1382 C CE . LYS 174 1294 ? A -2.468 -51.066 31.916 1.000 1 A 37.005 1 ATOM 1383 N NZ . LYS 174 1294 ? A -3.227 -51.672 33.051 1.000 1 A 37.005 1 ATOM 1384 N N . SER 175 1295 ? A -1.955 -51.989 24.636 1.000 1 A 31.088 1 ATOM 1385 C CA . SER 175 1295 ? A -2.130 -53.373 24.208 1.000 1 A 31.088 1 ATOM 1386 C C . SER 175 1295 ? A -3.392 -53.537 23.368 1.000 1 A 31.088 1 ATOM 1387 O O . SER 175 1295 ? A -4.442 -52.982 23.700 1.000 1 A 31.088 1 ATOM 1388 C CB . SER 175 1295 ? A -2.190 -54.306 25.419 1.000 1 A 31.088 1 ATOM 1389 O OG . SER 175 1295 ? A -0.897 -54.502 25.966 1.000 1 A 31.088 1 ATOM 1390 N N . LEU 176 1296 ? A -3.200 -53.975 22.103 1.000 1 A 36.255 1 ATOM 1391 C CA . LEU 176 1296 ? A -3.454 -55.037 21.135 1.000 1 A 36.255 1 ATOM 1392 C C . LEU 176 1296 ? A -4.950 -55.194 20.881 1.000 1 A 36.255 1 ATOM 1393 O O . LEU 176 1296 ? A -5.727 -55.382 21.820 1.000 1 A 36.255 1 ATOM 1394 C CB . LEU 176 1296 ? A -2.866 -56.362 21.627 1.000 1 A 36.255 1 ATOM 1395 C CG . LEU 176 1296 ? A -1.362 -56.375 21.903 1.000 1 A 36.255 1 ATOM 1396 C CD1 . LEU 176 1296 ? A -0.972 -57.645 22.653 1.000 1 A 36.255 1 ATOM 1397 C CD2 . LEU 176 1296 ? A -0.578 -56.255 20.601 1.000 1 A 36.255 1 ATOM 1398 N N . SER 177 1297 ? A -5.397 -54.799 19.689 1.000 1 A 37.384 1 ATOM 1399 C CA . SER 177 1297 ? A -6.343 -55.571 18.891 1.000 1 A 37.384 1 ATOM 1400 C C . SER 177 1297 ? A -6.189 -55.268 17.404 1.000 1 A 37.384 1 ATOM 1401 O O . SER 177 1297 ? A -6.114 -54.103 17.007 1.000 1 A 37.384 1 ATOM 1402 C CB . SER 177 1297 ? A -7.778 -55.283 19.333 1.000 1 A 37.384 1 ATOM 1403 O OG . SER 177 1297 ? A -7.984 -55.695 20.673 1.000 1 A 37.384 1 ATOM 1404 N N . SER 178 1298 ? A -5.553 -56.133 16.618 1.000 1 A 30.347 1 ATOM 1405 C CA . SER 178 1298 ? A -5.802 -57.139 15.591 1.000 1 A 30.347 1 ATOM 1406 C C . SER 178 1298 ? A -7.178 -56.956 14.959 1.000 1 A 30.347 1 ATOM 1407 O O . SER 178 1298 ? A -8.163 -56.719 15.661 1.000 1 A 30.347 1 ATOM 1408 C CB . SER 178 1298 ? A -5.685 -58.546 16.179 1.000 1 A 30.347 1 ATOM 1409 O OG . SER 178 1298 ? A -6.571 -58.710 17.273 1.000 1 A 30.347 1 ATOM 1410 N N . THR 179 1299 ? A -7.222 -56.531 13.644 1.000 1 A 37.855 1 ATOM 1411 C CA . THR 179 1299 ? A -8.090 -57.146 12.645 1.000 1 A 37.855 1 ATOM 1412 C C . THR 179 1299 ? A -8.059 -56.353 11.342 1.000 1 A 37.855 1 ATOM 1413 O O . THR 179 1299 ? A -8.232 -55.133 11.347 1.000 1 A 37.855 1 ATOM 1414 C CB . THR 179 1299 ? A -9.540 -57.248 13.153 1.000 1 A 37.855 1 ATOM 1415 O OG1 . THR 179 1299 ? A -10.196 -58.335 12.488 1.000 1 A 37.855 1 ATOM 1416 C CG2 . THR 179 1299 ? A -10.311 -55.961 12.880 1.000 1 A 37.855 1 ATOM 1417 N N . SER 180 1300 ? A -7.357 -56.852 10.328 1.000 1 A 33.504 1 ATOM 1418 C CA . SER 180 1300 ? A -7.947 -57.452 9.136 1.000 1 A 33.504 1 ATOM 1419 C C . SER 180 1300 ? A -7.408 -56.803 7.865 1.000 1 A 33.504 1 ATOM 1420 O O . SER 180 1300 ? A -7.271 -55.580 7.798 1.000 1 A 33.504 1 ATOM 1421 C CB . SER 180 1300 ? A -9.471 -57.332 9.173 1.000 1 A 33.504 1 ATOM 1422 O OG . SER 180 1300 ? A -9.881 -56.022 8.821 1.000 1 A 33.504 1 ATOM 1423 N N . ALA 181 1301 ? A -6.738 -57.656 6.994 1.000 1 A 39.089 1 ATOM 1424 C CA . ALA 181 1301 ? A -6.954 -58.385 5.747 1.000 1 A 39.089 1 ATOM 1425 C C . ALA 181 1301 ? A -6.478 -57.571 4.547 1.000 1 A 39.089 1 ATOM 1426 O O . ALA 181 1301 ? A -6.902 -56.429 4.356 1.000 1 A 39.089 1 ATOM 1427 C CB . ALA 181 1301 ? A -8.428 -58.747 5.590 1.000 1 A 39.089 1 ATOM 1428 N N . GLY 182 1302 ? A -5.308 -57.887 4.012 1.000 1 A 36.869 1 ATOM 1429 C CA . GLY 182 1302 ? A -5.153 -58.207 2.602 1.000 1 A 36.869 1 ATOM 1430 C C . GLY 182 1302 ? A -4.029 -57.436 1.935 1.000 1 A 36.869 1 ATOM 1431 O O . GLY 182 1302 ? A -3.948 -56.213 2.063 1.000 1 A 36.869 1 ATOM 1432 N N . GLY 183 1303 ? A -2.789 -58.051 1.702 1.000 1 A 39.362 1 ATOM 1433 C CA . GLY 183 1303 ? A -2.161 -58.273 0.410 1.000 1 A 39.362 1 ATOM 1434 C C . GLY 183 1303 ? A -0.675 -57.964 0.407 1.000 1 A 39.362 1 ATOM 1435 O O . GLY 183 1303 ? A -0.227 -57.040 1.090 1.000 1 A 39.362 1 ATOM 1436 N N . LYS 184 1304 ? A 0.217 -58.938 0.602 1.000 1 A 35.817 1 ATOM 1437 C CA . LYS 184 1304 ? A 1.343 -59.564 -0.084 1.000 1 A 35.817 1 ATOM 1438 C C . LYS 184 1304 ? A 2.162 -58.530 -0.852 1.000 1 A 35.817 1 ATOM 1439 O O . LYS 184 1304 ? A 1.609 -57.728 -1.608 1.000 1 A 35.817 1 ATOM 1440 C CB . LYS 184 1304 ? A 0.852 -60.656 -1.036 1.000 1 A 35.817 1 ATOM 1441 C CG . LYS 184 1304 ? A -0.165 -61.604 -0.418 1.000 1 A 35.817 1 ATOM 1442 C CD . LYS 184 1304 ? A -0.536 -62.728 -1.377 1.000 1 A 35.817 1 ATOM 1443 C CE . LYS 184 1304 ? A -1.249 -63.865 -0.658 1.000 1 A 35.817 1 ATOM 1444 N NZ . LYS 184 1304 ? A -1.507 -65.021 -1.568 1.000 1 A 35.817 1 ATOM 1445 N N . LYS 185 1305 ? A 3.185 -57.925 -0.283 1.000 1 A 43.821 1 ATOM 1446 C CA . LYS 185 1305 ? A 4.455 -57.640 -0.945 1.000 1 A 43.821 1 ATOM 1447 C C . LYS 185 1305 ? A 5.288 -56.652 -0.133 1.000 1 A 43.821 1 ATOM 1448 O O . LYS 185 1305 ? A 4.779 -55.622 0.313 1.000 1 A 43.821 1 ATOM 1449 C CB . LYS 185 1305 ? A 4.215 -57.090 -2.352 1.000 1 A 43.821 1 ATOM 1450 C CG . LYS 185 1305 ? A 3.645 -58.110 -3.326 1.000 1 A 43.821 1 ATOM 1451 C CD . LYS 185 1305 ? A 3.748 -57.626 -4.767 1.000 1 A 43.821 1 ATOM 1452 C CE . LYS 185 1305 ? A 3.304 -58.699 -5.752 1.000 1 A 43.821 1 ATOM 1453 N NZ . LYS 185 1305 ? A 3.445 -58.244 -7.167 1.000 1 A 43.821 1 ATOM 1454 N N . GLN 186 1306 ? A 6.143 -57.091 0.825 1.000 1 A 37.617 1 ATOM 1455 C CA . GLN 186 1306 ? A 7.598 -56.982 0.792 1.000 1 A 37.617 1 ATOM 1456 C C . GLN 186 1306 ? A 8.043 -55.529 0.932 1.000 1 A 37.617 1 ATOM 1457 O O . GLN 186 1306 ? A 7.654 -54.675 0.132 1.000 1 A 37.617 1 ATOM 1458 C CB . GLN 186 1306 ? A 8.152 -57.579 -0.502 1.000 1 A 37.617 1 ATOM 1459 C CG . GLN 186 1306 ? A 9.664 -57.761 -0.497 1.000 1 A 37.617 1 ATOM 1460 C CD . GLN 186 1306 ? A 10.168 -58.523 -1.708 1.000 1 A 37.617 1 ATOM 1461 O OE1 . GLN 186 1306 ? A 9.388 -59.154 -2.430 1.000 1 A 37.617 1 ATOM 1462 N NE2 . GLN 186 1306 ? A 11.475 -58.472 -1.940 1.000 1 A 37.617 1 ATOM 1463 N N . ALA 187 1307 ? A 8.177 -55.005 2.072 1.000 1 A 41.665 1 ATOM 1464 C CA . ALA 187 1307 ? A 9.352 -54.205 2.407 1.000 1 A 41.665 1 ATOM 1465 C C . ALA 187 1307 ? A 9.328 -53.782 3.873 1.000 1 A 41.665 1 ATOM 1466 O O . ALA 187 1307 ? A 8.312 -53.286 4.366 1.000 1 A 41.665 1 ATOM 1467 C CB . ALA 187 1307 ? A 9.435 -52.977 1.504 1.000 1 A 41.665 1 ATOM 1468 N N . GLN 188 1308 ? A 9.739 -54.543 4.853 1.000 1 A 36.231 1 ATOM 1469 C CA . GLN 188 1308 ? A 10.619 -54.597 6.015 1.000 1 A 36.231 1 ATOM 1470 C C . GLN 188 1308 ? A 11.127 -53.207 6.386 1.000 1 A 36.231 1 ATOM 1471 O O . GLN 188 1308 ? A 11.537 -52.437 5.514 1.000 1 A 36.231 1 ATOM 1472 C CB . GLN 188 1308 ? A 11.800 -55.534 5.752 1.000 1 A 36.231 1 ATOM 1473 C CG . GLN 188 1308 ? A 11.589 -56.950 6.273 1.000 1 A 36.231 1 ATOM 1474 C CD . GLN 188 1308 ? A 11.707 -57.044 7.782 1.000 1 A 36.231 1 ATOM 1475 O OE1 . GLN 188 1308 ? A 12.552 -56.383 8.394 1.000 1 A 36.231 1 ATOM 1476 N NE2 . GLN 188 1308 ? A 10.861 -57.866 8.393 1.000 1 A 36.231 1 ATOM 1477 N N . PRO 189 1309 ? A 11.392 -52.957 7.691 1.000 1 A 43.887 1 ATOM 1478 C CA . PRO 189 1309 ? A 10.869 -52.263 8.870 1.000 1 A 43.887 1 ATOM 1479 C C . PRO 189 1309 ? A 11.703 -51.043 9.254 1.000 1 A 43.887 1 ATOM 1480 O O . PRO 189 1309 ? A 12.836 -50.894 8.789 1.000 1 A 43.887 1 ATOM 1481 C CB . PRO 189 1309 ? A 10.929 -53.332 9.964 1.000 1 A 43.887 1 ATOM 1482 C CG . PRO 189 1309 ? A 12.150 -54.134 9.647 1.000 1 A 43.887 1 ATOM 1483 C CD . PRO 189 1309 ? A 12.713 -53.651 8.342 1.000 1 A 43.887 1 ATOM 1484 N N . SER 190 1310 ? A 11.185 -49.951 9.562 1.000 1 A 34.989 1 ATOM 1485 C CA . SER 190 1310 ? A 11.453 -49.433 10.900 1.000 1 A 34.989 1 ATOM 1486 C C . SER 190 1310 ? A 12.478 -48.305 10.860 1.000 1 A 34.989 1 ATOM 1487 O O . SER 190 1310 ? A 13.567 -48.468 10.306 1.000 1 A 34.989 1 ATOM 1488 C CB . SER 190 1310 ? A 11.947 -50.550 11.819 1.000 1 A 34.989 1 ATOM 1489 O OG . SER 190 1310 ? A 12.385 -50.024 13.060 1.000 1 A 34.989 1 ATOM 1490 N N . CYS 191 1311 ? A 12.025 -47.055 10.730 1.000 1 A 39.978 1 ATOM 1491 C CA . CYS 191 1311 ? A 12.821 -46.062 11.442 1.000 1 A 39.978 1 ATOM 1492 C C . CYS 191 1311 ? A 11.957 -44.888 11.887 1.000 1 A 39.978 1 ATOM 1493 O O . CYS 191 1311 ? A 11.185 -44.345 11.095 1.000 1 A 39.978 1 ATOM 1494 C CB . CYS 191 1311 ? A 13.965 -45.560 10.562 1.000 1 A 39.978 1 ATOM 1495 S SG . CYS 191 1311 ? A 15.462 -45.141 11.482 1.000 1 A 39.978 1 ATOM 1496 N N . ALA 192 1312 ? A 11.194 -44.884 12.954 1.000 1 A 42.826 1 ATOM 1497 C CA . ALA 192 1312 ? A 10.962 -43.777 13.879 1.000 1 A 42.826 1 ATOM 1498 C C . ALA 192 1312 ? A 11.910 -42.616 13.594 1.000 1 A 42.826 1 ATOM 1499 O O . ALA 192 1312 ? A 13.132 -42.776 13.650 1.000 1 A 42.826 1 ATOM 1500 C CB . ALA 192 1312 ? A 11.121 -44.248 15.322 1.000 1 A 42.826 1 ATOM 1501 N N . PRO 193 1313 ? A 11.449 -41.448 13.071 1.000 1 A 52.125 1 ATOM 1502 C CA . PRO 193 1313 ? A 12.126 -40.200 13.432 1.000 1 A 52.125 1 ATOM 1503 C C . PRO 193 1313 ? A 11.351 -39.388 14.467 1.000 1 A 52.125 1 ATOM 1504 O O . PRO 193 1313 ? A 10.120 -39.444 14.506 1.000 1 A 52.125 1 ATOM 1505 C CB . PRO 193 1313 ? A 12.212 -39.448 12.101 1.000 1 A 52.125 1 ATOM 1506 C CG . PRO 193 1313 ? A 11.083 -39.987 11.284 1.000 1 A 52.125 1 ATOM 1507 C CD . PRO 193 1313 ? A 10.537 -41.206 11.970 1.000 1 A 52.125 1 ATOM 1508 N N . ALA 194 1314 ? A 11.624 -39.487 15.806 1.000 1 A 42.303 1 ATOM 1509 C CA . ALA 194 1314 ? A 12.145 -38.502 16.750 1.000 1 A 42.303 1 ATOM 1510 C C . ALA 194 1314 ? A 11.384 -37.183 16.642 1.000 1 A 42.303 1 ATOM 1511 O O . ALA 194 1314 ? A 11.155 -36.680 15.540 1.000 1 A 42.303 1 ATOM 1512 C CB . ALA 194 1314 ? A 13.635 -38.274 16.513 1.000 1 A 42.303 1 ATOM 1513 N N . SER 195 1315 ? A 10.349 -36.978 17.385 1.000 1 A 38.799 1 ATOM 1514 C CA . SER 195 1315 ? A 9.795 -35.937 18.246 1.000 1 A 38.799 1 ATOM 1515 C C . SER 195 1315 ? A 10.787 -34.796 18.441 1.000 1 A 38.799 1 ATOM 1516 O O . SER 195 1315 ? A 11.833 -34.976 19.067 1.000 1 A 38.799 1 ATOM 1517 C CB . SER 195 1315 ? A 9.400 -36.519 19.604 1.000 1 A 38.799 1 ATOM 1518 O OG . SER 195 1315 ? A 10.253 -36.033 20.626 1.000 1 A 38.799 1 ATOM 1519 N N . ARG 196 1316 ? A 11.105 -33.951 17.454 1.000 1 A 46.134 1 ATOM 1520 C CA . ARG 196 1316 ? A 11.820 -32.704 17.707 1.000 1 A 46.134 1 ATOM 1521 C C . ARG 196 1316 ? A 10.884 -31.505 17.601 1.000 1 A 46.134 1 ATOM 1522 O O . ARG 196 1316 ? A 10.000 -31.475 16.742 1.000 1 A 46.134 1 ATOM 1523 C CB . ARG 196 1316 ? A 12.987 -32.546 16.731 1.000 1 A 46.134 1 ATOM 1524 C CG . ARG 196 1316 ? A 14.113 -33.544 16.949 1.000 1 A 46.134 1 ATOM 1525 C CD . ARG 196 1316 ? A 15.289 -33.281 16.019 1.000 1 A 46.134 1 ATOM 1526 N NE . ARG 196 1316 ? A 16.360 -34.253 16.215 1.000 1 A 46.134 1 ATOM 1527 C CZ . ARG 196 1316 ? A 17.629 -33.943 16.464 1.000 1 A 46.134 1 ATOM 1528 N NH1 . ARG 196 1316 ? A 18.013 -32.674 16.551 1.000 1 A 46.134 1 ATOM 1529 N NH2 . ARG 196 1316 ? A 18.523 -34.908 16.626 1.000 1 A 46.134 1 ATOM 1530 N N . PRO 197 1317 ? A 10.747 -30.690 18.697 1.000 1 A 47.364 1 ATOM 1531 C CA . PRO 197 1317 ? A 9.855 -29.563 18.980 1.000 1 A 47.364 1 ATOM 1532 C C . PRO 197 1317 ? A 9.840 -28.527 17.859 1.000 1 A 47.364 1 ATOM 1533 O O . PRO 197 1317 ? A 10.764 -28.481 17.043 1.000 1 A 47.364 1 ATOM 1534 C CB . PRO 197 1317 ? A 10.437 -28.968 20.265 1.000 1 A 47.364 1 ATOM 1535 C CG . PRO 197 1317 ? A 11.841 -29.477 20.321 1.000 1 A 47.364 1 ATOM 1536 C CD . PRO 197 1317 ? A 12.029 -30.478 19.217 1.000 1 A 47.364 1 ATOM 1537 N N . PRO 198 1318 ? A 8.571 -27.973 17.632 1.000 1 A 47.728 1 ATOM 1538 C CA . PRO 198 1318 ? A 8.105 -27.079 16.569 1.000 1 A 47.728 1 ATOM 1539 C C . PRO 198 1318 ? A 9.032 -25.885 16.355 1.000 1 A 47.728 1 ATOM 1540 O O . PRO 198 1318 ? A 9.496 -25.277 17.323 1.000 1 A 47.728 1 ATOM 1541 C CB . PRO 198 1318 ? A 6.732 -26.623 17.070 1.000 1 A 47.728 1 ATOM 1542 C CG . PRO 198 1318 ? A 6.776 -26.833 18.549 1.000 1 A 47.728 1 ATOM 1543 C CD . PRO 198 1318 ? A 7.925 -27.745 18.868 1.000 1 A 47.728 1 ATOM 1544 N N . ALA 199 1319 ? A 10.076 -26.030 15.583 1.000 1 A 42.943 1 ATOM 1545 C CA . ALA 199 1319 ? A 10.995 -25.033 15.041 1.000 1 A 42.943 1 ATOM 1546 C C . ALA 199 1319 ? A 10.250 -23.765 14.632 1.000 1 A 42.943 1 ATOM 1547 O O . ALA 199 1319 ? A 9.209 -23.834 13.974 1.000 1 A 42.943 1 ATOM 1548 C CB . ALA 199 1319 ? A 11.758 -25.605 13.849 1.000 1 A 42.943 1 ATOM 1549 N N . LYS 200 1320 ? A 9.941 -22.804 15.591 1.000 1 A 33.453 1 ATOM 1550 C CA . LYS 200 1320 ? A 9.783 -21.352 15.559 1.000 1 A 33.453 1 ATOM 1551 C C . LYS 200 1320 ? A 9.597 -20.851 14.130 1.000 1 A 33.453 1 ATOM 1552 O O . LYS 200 1320 ? A 10.360 -21.217 13.233 1.000 1 A 33.453 1 ATOM 1553 C CB . LYS 200 1320 ? A 10.991 -20.667 16.201 1.000 1 A 33.453 1 ATOM 1554 C CG . LYS 200 1320 ? A 11.084 -20.862 17.707 1.000 1 A 33.453 1 ATOM 1555 C CD . LYS 200 1320 ? A 12.382 -20.293 18.265 1.000 1 A 33.453 1 ATOM 1556 C CE . LYS 200 1320 ? A 12.467 -20.468 19.776 1.000 1 A 33.453 1 ATOM 1557 N NZ . LYS 200 1320 ? A 13.770 -19.979 20.318 1.000 1 A 33.453 1 ATOM 1558 N N . SER 1 236 ? B 36.434 23.537 -25.449 1.000 2 B 36.756 1 ATOM 1559 C CA . SER 1 236 ? B 37.420 24.249 -24.641 1.000 2 B 36.756 1 ATOM 1560 C C . SER 1 236 ? B 36.784 24.839 -23.387 1.000 2 B 36.756 1 ATOM 1561 O O . SER 1 236 ? B 35.947 25.740 -23.473 1.000 2 B 36.756 1 ATOM 1562 C CB . SER 1 236 ? B 38.081 25.360 -25.458 1.000 2 B 36.756 1 ATOM 1563 O OG . SER 1 236 ? B 37.486 25.464 -26.740 1.000 2 B 36.756 1 ATOM 1564 N N . GLY 2 237 ? B 36.498 23.985 -22.397 1.000 2 B 36.476 1 ATOM 1565 C CA . GLY 2 237 ? B 36.848 23.850 -20.992 1.000 2 B 36.476 1 ATOM 1566 C C . GLY 2 237 ? B 36.683 25.139 -20.210 1.000 2 B 36.476 1 ATOM 1567 O O . GLY 2 237 ? B 37.112 26.204 -20.660 1.000 2 B 36.476 1 ATOM 1568 N N . ALA 3 238 ? B 35.581 25.236 -19.403 1.000 2 B 35.802 1 ATOM 1569 C CA . ALA 3 238 ? B 35.716 25.549 -17.983 1.000 2 B 35.802 1 ATOM 1570 C C . ALA 3 238 ? B 34.355 25.823 -17.349 1.000 2 B 35.802 1 ATOM 1571 O O . ALA 3 238 ? B 33.715 26.833 -17.651 1.000 2 B 35.802 1 ATOM 1572 C CB . ALA 3 238 ? B 36.641 26.748 -17.788 1.000 2 B 35.802 1 ATOM 1573 N N . GLY 4 239 ? B 33.475 24.880 -17.103 1.000 2 B 40.509 1 ATOM 1574 C CA . GLY 4 239 ? B 32.661 24.578 -15.936 1.000 2 B 40.509 1 ATOM 1575 C C . GLY 4 239 ? B 33.305 25.010 -14.632 1.000 2 B 40.509 1 ATOM 1576 O O . GLY 4 239 ? B 34.419 24.589 -14.314 1.000 2 B 40.509 1 ATOM 1577 N N . LYS 5 240 ? B 33.229 26.302 -14.327 1.000 2 B 43.198 1 ATOM 1578 C CA . LYS 5 240 ? B 33.459 27.007 -13.069 1.000 2 B 43.198 1 ATOM 1579 C C . LYS 5 240 ? B 32.212 26.986 -12.191 1.000 2 B 43.198 1 ATOM 1580 O O . LYS 5 240 ? B 31.148 27.455 -12.602 1.000 2 B 43.198 1 ATOM 1581 C CB . LYS 5 240 ? B 33.890 28.450 -13.334 1.000 2 B 43.198 1 ATOM 1582 C CG . LYS 5 240 ? B 35.029 28.583 -14.333 1.000 2 B 43.198 1 ATOM 1583 C CD . LYS 5 240 ? B 35.192 30.022 -14.808 1.000 2 B 43.198 1 ATOM 1584 C CE . LYS 5 240 ? B 36.633 30.325 -15.193 1.000 2 B 43.198 1 ATOM 1585 N NZ . LYS 5 240 ? B 36.843 31.781 -15.453 1.000 2 B 43.198 1 ATOM 1586 N N . PHE 6 241 ? B 31.678 25.957 -11.553 1.000 2 B 50.934 1 ATOM 1587 C CA . PHE 6 241 ? B 30.964 26.251 -10.317 1.000 2 B 50.934 1 ATOM 1588 C C . PHE 6 241 ? B 31.820 25.911 -9.103 1.000 2 B 50.934 1 ATOM 1589 O O . PHE 6 241 ? B 32.456 24.855 -9.061 1.000 2 B 50.934 1 ATOM 1590 C CB . PHE 6 241 ? B 29.643 25.478 -10.261 1.000 2 B 50.934 1 ATOM 1591 C CG . PHE 6 241 ? B 28.619 25.953 -11.256 1.000 2 B 50.934 1 ATOM 1592 C CD1 . PHE 6 241 ? B 27.863 27.092 -11.007 1.000 2 B 50.934 1 ATOM 1593 C CD2 . PHE 6 241 ? B 28.412 25.260 -12.442 1.000 2 B 50.934 1 ATOM 1594 C CE1 . PHE 6 241 ? B 26.915 27.534 -11.927 1.000 2 B 50.934 1 ATOM 1595 C CE2 . PHE 6 241 ? B 27.467 25.695 -13.366 1.000 2 B 50.934 1 ATOM 1596 C CZ . PHE 6 241 ? B 26.718 26.832 -13.106 1.000 2 B 50.934 1 ATOM 1597 N N . PRO 7 242 ? B 32.354 26.931 -8.445 1.000 2 B 39.235 1 ATOM 1598 C CA . PRO 7 242 ? B 33.011 26.985 -7.136 1.000 2 B 39.235 1 ATOM 1599 C C . PRO 7 242 ? B 32.250 26.211 -6.062 1.000 2 B 39.235 1 ATOM 1600 O O . PRO 7 242 ? B 31.031 26.045 -6.162 1.000 2 B 39.235 1 ATOM 1601 C CB . PRO 7 242 ? B 33.037 28.481 -6.816 1.000 2 B 39.235 1 ATOM 1602 C CG . PRO 7 242 ? B 31.780 29.023 -7.417 1.000 2 B 39.235 1 ATOM 1603 C CD . PRO 7 242 ? B 31.175 27.963 -8.293 1.000 2 B 39.235 1 ATOM 1604 N N . ALA 8 243 ? B 32.874 25.064 -5.646 1.000 2 B 42.257 1 ATOM 1605 C CA . ALA 8 243 ? B 33.349 24.785 -4.293 1.000 2 B 42.257 1 ATOM 1606 C C . ALA 8 243 ? B 32.217 24.264 -3.412 1.000 2 B 42.257 1 ATOM 1607 O O . ALA 8 243 ? B 31.173 24.908 -3.286 1.000 2 B 42.257 1 ATOM 1608 C CB . ALA 8 243 ? B 33.965 26.038 -3.676 1.000 2 B 42.257 1 ATOM 1609 N N . GLY 9 244 ? B 31.982 22.960 -3.483 1.000 2 B 37.916 1 ATOM 1610 C CA . GLY 9 244 ? B 32.355 21.986 -2.469 1.000 2 B 37.916 1 ATOM 1611 C C . GLY 9 244 ? B 31.841 22.339 -1.085 1.000 2 B 37.916 1 ATOM 1612 O O . GLY 9 244 ? B 31.905 23.498 -0.671 1.000 2 B 37.916 1 ATOM 1613 N N . HIS 10 245 ? B 30.782 21.684 -0.553 1.000 2 B 41.643 1 ATOM 1614 C CA . HIS 10 245 ? B 30.897 20.770 0.578 1.000 2 B 41.643 1 ATOM 1615 C C . HIS 10 245 ? B 30.316 21.387 1.846 1.000 2 B 41.643 1 ATOM 1616 O O . HIS 10 245 ? B 30.773 22.442 2.294 1.000 2 B 41.643 1 ATOM 1617 C CB . HIS 10 245 ? B 32.359 20.381 0.806 1.000 2 B 41.643 1 ATOM 1618 C CG . HIS 10 245 ? B 32.662 18.958 0.458 1.000 2 B 41.643 1 ATOM 1619 N ND1 . HIS 10 245 ? B 32.159 17.893 1.175 1.000 2 B 41.643 1 ATOM 1620 C CD2 . HIS 10 245 ? B 33.414 18.426 -0.534 1.000 2 B 41.643 1 ATOM 1621 C CE1 . HIS 10 245 ? B 32.592 16.765 0.637 1.000 2 B 41.643 1 ATOM 1622 N NE2 . HIS 10 245 ? B 33.355 17.061 -0.401 1.000 2 B 41.643 1 ATOM 1623 N N . SER 11 246 ? B 29.175 21.253 2.334 1.000 2 B 42.563 1 ATOM 1624 C CA . SER 11 246 ? B 29.137 20.951 3.761 1.000 2 B 42.563 1 ATOM 1625 C C . SER 11 246 ? B 27.788 20.369 4.167 1.000 2 B 42.563 1 ATOM 1626 O O . SER 11 246 ? B 26.739 20.884 3.773 1.000 2 B 42.563 1 ATOM 1627 C CB . SER 11 246 ? B 29.428 22.208 4.582 1.000 2 B 42.563 1 ATOM 1628 O OG . SER 11 246 ? B 29.178 21.978 5.958 1.000 2 B 42.563 1 ATOM 1629 N N . VAL 12 247 ? B 27.460 19.148 4.181 1.000 2 B 45.610 1 ATOM 1630 C CA . VAL 12 247 ? B 26.976 18.120 5.098 1.000 2 B 45.610 1 ATOM 1631 C C . VAL 12 247 ? B 26.572 18.760 6.424 1.000 2 B 45.610 1 ATOM 1632 O O . VAL 12 247 ? B 27.253 19.661 6.919 1.000 2 B 45.610 1 ATOM 1633 C CB . VAL 12 247 ? B 28.040 17.026 5.336 1.000 2 B 45.610 1 ATOM 1634 C CG1 . VAL 12 247 ? B 27.385 15.650 5.440 1.000 2 B 45.610 1 ATOM 1635 C CG2 . VAL 12 247 ? B 29.081 17.042 4.218 1.000 2 B 45.610 1 ATOM 1636 N N . ILE 13 248 ? B 25.407 19.287 6.582 1.000 2 B 44.121 1 ATOM 1637 C CA . ILE 13 248 ? B 24.427 19.200 7.659 1.000 2 B 44.121 1 ATOM 1638 C C . ILE 13 248 ? B 24.858 20.091 8.822 1.000 2 B 44.121 1 ATOM 1639 O O . ILE 13 248 ? B 25.892 19.847 9.449 1.000 2 B 44.121 1 ATOM 1640 C CB . ILE 13 248 ? B 24.243 17.743 8.140 1.000 2 B 44.121 1 ATOM 1641 C CG1 . ILE 13 248 ? B 23.845 16.840 6.967 1.000 2 B 44.121 1 ATOM 1642 C CG2 . ILE 13 248 ? B 23.204 17.672 9.263 1.000 2 B 44.121 1 ATOM 1643 C CD1 . ILE 13 248 ? B 23.957 15.352 7.265 1.000 2 B 44.121 1 ATOM 1644 N N . GLN 14 249 ? B 24.851 21.419 8.787 1.000 2 B 40.859 1 ATOM 1645 C CA . GLN 14 249 ? B 24.913 22.231 9.997 1.000 2 B 40.859 1 ATOM 1646 C C . GLN 14 249 ? B 23.548 22.313 10.675 1.000 2 B 40.859 1 ATOM 1647 O O . GLN 14 249 ? B 22.594 22.840 10.099 1.000 2 B 40.859 1 ATOM 1648 C CB . GLN 14 249 ? B 25.425 23.636 9.677 1.000 2 B 40.859 1 ATOM 1649 C CG . GLN 14 249 ? B 26.886 23.856 10.043 1.000 2 B 40.859 1 ATOM 1650 C CD . GLN 14 249 ? B 27.405 25.211 9.599 1.000 2 B 40.859 1 ATOM 1651 O OE1 . GLN 14 249 ? B 26.654 26.033 9.064 1.000 2 B 40.859 1 ATOM 1652 N NE2 . GLN 14 249 ? B 28.693 25.453 9.816 1.000 2 B 40.859 1 ATOM 1653 N N . LEU 15 250 ? B 22.924 21.188 11.012 1.000 2 B 44.005 1 ATOM 1654 C CA . LEU 15 250 ? B 21.910 21.011 12.046 1.000 2 B 44.005 1 ATOM 1655 C C . LEU 15 250 ? B 22.251 21.829 13.287 1.000 2 B 44.005 1 ATOM 1656 O O . LEU 15 250 ? B 23.401 21.841 13.731 1.000 2 B 44.005 1 ATOM 1657 C CB . LEU 15 250 ? B 21.774 19.532 12.416 1.000 2 B 44.005 1 ATOM 1658 C CG . LEU 15 250 ? B 21.253 18.603 11.318 1.000 2 B 44.005 1 ATOM 1659 C CD1 . LEU 15 250 ? B 21.311 17.151 11.781 1.000 2 B 44.005 1 ATOM 1660 C CD2 . LEU 15 250 ? B 19.832 18.987 10.922 1.000 2 B 44.005 1 ATOM 1661 N N . ALA 16 251 ? B 22.162 23.134 13.367 1.000 2 B 49.026 1 ATOM 1662 C CA . ALA 16 251 ? B 21.573 23.858 14.490 1.000 2 B 49.026 1 ATOM 1663 C C . ALA 16 251 ? B 22.408 25.084 14.851 1.000 2 B 49.026 1 ATOM 1664 O O . ALA 16 251 ? B 23.525 24.954 15.358 1.000 2 B 49.026 1 ATOM 1665 C CB . ALA 16 251 ? B 21.431 22.939 15.701 1.000 2 B 49.026 1 ATOM 1666 N N . ARG 17 252 ? B 22.585 26.096 14.007 1.000 2 B 42.907 1 ATOM 1667 C CA . ARG 17 252 ? B 23.099 27.302 14.648 1.000 2 B 42.907 1 ATOM 1668 C C . ARG 17 252 ? B 21.992 28.331 14.847 1.000 2 B 42.907 1 ATOM 1669 O O . ARG 17 252 ? B 21.226 28.613 13.923 1.000 2 B 42.907 1 ATOM 1670 C CB . ARG 17 252 ? B 24.236 27.908 13.821 1.000 2 B 42.907 1 ATOM 1671 C CG . ARG 17 252 ? B 25.498 27.061 13.796 1.000 2 B 42.907 1 ATOM 1672 C CD . ARG 17 252 ? B 26.685 27.835 13.240 1.000 2 B 42.907 1 ATOM 1673 N NE . ARG 17 252 ? B 27.896 27.019 13.214 1.000 2 B 42.907 1 ATOM 1674 C CZ . ARG 17 252 ? B 29.025 27.357 12.596 1.000 2 B 42.907 1 ATOM 1675 N NH1 . ARG 17 252 ? B 29.119 28.507 11.938 1.000 2 B 42.907 1 ATOM 1676 N NH2 . ARG 17 252 ? B 30.067 26.540 12.636 1.000 2 B 42.907 1 ATOM 1677 N N . ARG 18 253 ? B 21.131 28.201 15.793 1.000 2 B 46.159 1 ATOM 1678 C CA . ARG 18 253 ? B 20.641 29.228 16.707 1.000 2 B 46.159 1 ATOM 1679 C C . ARG 18 253 ? B 21.192 30.601 16.336 1.000 2 B 46.159 1 ATOM 1680 O O . ARG 18 253 ? B 22.409 30.802 16.313 1.000 2 B 46.159 1 ATOM 1681 C CB . ARG 18 253 ? B 21.016 28.886 18.151 1.000 2 B 46.159 1 ATOM 1682 C CG . ARG 18 253 ? B 20.306 27.657 18.697 1.000 2 B 46.159 1 ATOM 1683 C CD . ARG 18 253 ? B 20.544 27.486 20.190 1.000 2 B 46.159 1 ATOM 1684 N NE . ARG 18 253 ? B 19.493 26.689 20.816 1.000 2 B 46.159 1 ATOM 1685 C CZ . ARG 18 253 ? B 18.981 26.921 22.021 1.000 2 B 46.159 1 ATOM 1686 N NH1 . ARG 18 253 ? B 19.417 27.937 22.759 1.000 2 B 46.159 1 ATOM 1687 N NH2 . ARG 18 253 ? B 18.027 26.133 22.494 1.000 2 B 46.159 1 ATOM 1688 N N . GLN 19 254 ? B 20.844 31.294 15.193 1.000 2 B 40.550 1 ATOM 1689 C CA . GLN 19 254 ? B 21.163 32.717 15.236 1.000 2 B 40.550 1 ATOM 1690 C C . GLN 19 254 ? B 20.039 33.513 15.892 1.000 2 B 40.550 1 ATOM 1691 O O . GLN 19 254 ? B 18.881 33.419 15.479 1.000 2 B 40.550 1 ATOM 1692 C CB . GLN 19 254 ? B 21.432 33.250 13.828 1.000 2 B 40.550 1 ATOM 1693 C CG . GLN 19 254 ? B 22.512 34.322 13.771 1.000 2 B 40.550 1 ATOM 1694 C CD . GLN 19 254 ? B 22.753 34.839 12.366 1.000 2 B 40.550 1 ATOM 1695 O OE1 . GLN 19 254 ? B 21.985 34.549 11.443 1.000 2 B 40.550 1 ATOM 1696 N NE2 . GLN 19 254 ? B 23.823 35.607 12.192 1.000 2 B 40.550 1 ATOM 1697 N N . ASP 20 255 ? B 19.922 33.471 17.185 1.000 2 B 37.465 1 ATOM 1698 C CA . ASP 20 255 ? B 19.899 34.523 18.197 1.000 2 B 37.465 1 ATOM 1699 C C . ASP 20 255 ? B 20.646 35.765 17.715 1.000 2 B 37.465 1 ATOM 1700 O O . ASP 20 255 ? B 21.729 35.659 17.136 1.000 2 B 37.465 1 ATOM 1701 C CB . ASP 20 255 ? B 20.507 34.019 19.508 1.000 2 B 37.465 1 ATOM 1702 C CG . ASP 20 255 ? B 19.557 33.141 20.303 1.000 2 B 37.465 1 ATOM 1703 O OD1 . ASP 20 255 ? B 18.324 33.308 20.180 1.000 2 B 37.465 1 ATOM 1704 O OD2 . ASP 20 255 ? B 20.045 32.277 21.063 1.000 2 B 37.465 1 ATOM 1705 N N . SER 21 256 ? B 20.049 36.725 17.136 1.000 2 B 36.142 1 ATOM 1706 C CA . SER 21 256 ? B 20.205 38.082 17.650 1.000 2 B 36.142 1 ATOM 1707 C C . SER 21 256 ? B 20.555 39.059 16.532 1.000 2 B 36.142 1 ATOM 1708 O O . SER 21 256 ? B 21.392 38.761 15.679 1.000 2 B 36.142 1 ATOM 1709 C CB . SER 21 256 ? B 21.285 38.125 18.732 1.000 2 B 36.142 1 ATOM 1710 O OG . SER 21 256 ? B 21.067 37.113 19.700 1.000 2 B 36.142 1 ATOM 1711 N N . ASP 22 257 ? B 19.596 40.004 16.241 1.000 2 B 32.580 1 ATOM 1712 C CA . ASP 22 257 ? B 19.815 41.401 16.605 1.000 2 B 32.580 1 ATOM 1713 C C . ASP 22 257 ? B 19.372 42.337 15.483 1.000 2 B 32.580 1 ATOM 1714 O O . ASP 22 257 ? B 19.757 42.155 14.327 1.000 2 B 32.580 1 ATOM 1715 C CB . ASP 22 257 ? B 21.287 41.643 16.942 1.000 2 B 32.580 1 ATOM 1716 C CG . ASP 22 257 ? B 21.520 41.927 18.416 1.000 2 B 32.580 1 ATOM 1717 O OD1 . ASP 22 257 ? B 20.557 42.290 19.126 1.000 2 B 32.580 1 ATOM 1718 O OD2 . ASP 22 257 ? B 22.676 41.789 18.870 1.000 2 B 32.580 1 ATOM 1719 N N . LEU 23 258 ? B 18.146 42.814 15.573 1.000 2 B 38.144 1 ATOM 1720 C CA . LEU 23 258 ? B 17.910 44.239 15.778 1.000 2 B 38.144 1 ATOM 1721 C C . LEU 23 258 ? B 18.607 45.065 14.703 1.000 2 B 38.144 1 ATOM 1722 O O . LEU 23 258 ? B 19.835 45.039 14.592 1.000 2 B 38.144 1 ATOM 1723 C CB . LEU 23 258 ? B 18.398 44.668 17.165 1.000 2 B 38.144 1 ATOM 1724 C CG . LEU 23 258 ? B 17.605 45.784 17.846 1.000 2 B 38.144 1 ATOM 1725 C CD1 . LEU 23 258 ? B 16.207 45.296 18.209 1.000 2 B 38.144 1 ATOM 1726 C CD2 . LEU 23 258 ? B 18.341 46.283 19.085 1.000 2 B 38.144 1 ATOM 1727 N N . VAL 24 259 ? B 18.111 45.252 13.478 1.000 2 B 39.855 1 ATOM 1728 C CA . VAL 24 259 ? B 18.361 46.512 12.786 1.000 2 B 39.855 1 ATOM 1729 C C . VAL 24 259 ? B 17.042 47.101 12.292 1.000 2 B 39.855 1 ATOM 1730 O O . VAL 24 259 ? B 16.257 46.415 11.633 1.000 2 B 39.855 1 ATOM 1731 C CB . VAL 24 259 ? B 19.338 46.327 11.604 1.000 2 B 39.855 1 ATOM 1732 C CG1 . VAL 24 259 ? B 19.509 47.635 10.834 1.000 2 B 39.855 1 ATOM 1733 C CG2 . VAL 24 259 ? B 20.688 45.816 12.103 1.000 2 B 39.855 1 ATOM 1734 N N . GLN 25 260 ? B 16.248 47.725 13.189 1.000 2 B 33.182 1 ATOM 1735 C CA . GLN 25 260 ? B 15.832 49.123 13.229 1.000 2 B 33.182 1 ATOM 1736 C C . GLN 25 260 ? B 15.973 49.778 11.858 1.000 2 B 33.182 1 ATOM 1737 O O . GLN 25 260 ? B 17.050 49.751 11.259 1.000 2 B 33.182 1 ATOM 1738 C CB . GLN 25 260 ? B 16.647 49.897 14.267 1.000 2 B 33.182 1 ATOM 1739 C CG . GLN 25 260 ? B 15.850 50.292 15.503 1.000 2 B 33.182 1 ATOM 1740 C CD . GLN 25 260 ? B 16.693 51.012 16.539 1.000 2 B 33.182 1 ATOM 1741 O OE1 . GLN 25 260 ? B 17.916 51.119 16.398 1.000 2 B 33.182 1 ATOM 1742 N NE2 . GLN 25 260 ? B 16.047 51.511 17.587 1.000 2 B 33.182 1 ATOM 1743 N N . CYS 26 261 ? B 14.927 49.749 10.899 1.000 2 B 37.681 1 ATOM 1744 C CA . CYS 26 261 ? B 14.794 50.849 9.950 1.000 2 B 37.681 1 ATOM 1745 C C . CYS 26 261 ? B 13.332 51.238 9.767 1.000 2 B 37.681 1 ATOM 1746 O O . CYS 26 261 ? B 12.489 50.385 9.485 1.000 2 B 37.681 1 ATOM 1747 C CB . CYS 26 261 ? B 15.403 50.468 8.600 1.000 2 B 37.681 1 ATOM 1748 S SG . CYS 26 261 ? B 15.773 51.885 7.543 1.000 2 B 37.681 1 ATOM 1749 N N . GLY 27 262 ? B 12.817 52.115 10.680 1.000 2 B 33.533 1 ATOM 1750 C CA . GLY 27 262 ? B 12.485 53.506 10.417 1.000 2 B 33.533 1 ATOM 1751 C C . GLY 27 262 ? B 11.062 53.697 9.926 1.000 2 B 33.533 1 ATOM 1752 O O . GLY 27 262 ? B 10.543 52.870 9.173 1.000 2 B 33.533 1 ATOM 1753 N N . VAL 28 263 ? B 10.136 54.092 10.847 1.000 2 B 31.772 1 ATOM 1754 C CA . VAL 28 263 ? B 9.376 55.326 11.011 1.000 2 B 31.772 1 ATOM 1755 C C . VAL 28 263 ? B 8.182 55.329 10.059 1.000 2 B 31.772 1 ATOM 1756 O O . VAL 28 263 ? B 8.345 55.144 8.850 1.000 2 B 31.772 1 ATOM 1757 C CB . VAL 28 263 ? B 10.256 56.573 10.767 1.000 2 B 31.772 1 ATOM 1758 C CG1 . VAL 28 263 ? B 10.524 57.310 12.078 1.000 2 B 31.772 1 ATOM 1759 C CG2 . VAL 28 263 ? B 11.569 56.174 10.095 1.000 2 B 31.772 1 ATOM 1760 N N . THR 29 264 ? B 7.013 54.972 10.431 1.000 2 B 39.878 1 ATOM 1761 C CA . THR 29 264 ? B 5.803 55.782 10.344 1.000 2 B 39.878 1 ATOM 1762 C C . THR 29 264 ? B 4.691 55.189 11.204 1.000 2 B 39.878 1 ATOM 1763 O O . THR 29 264 ? B 4.434 53.984 11.151 1.000 2 B 39.878 1 ATOM 1764 C CB . THR 29 264 ? B 5.319 55.907 8.888 1.000 2 B 39.878 1 ATOM 1765 O OG1 . THR 29 264 ? B 5.022 54.602 8.376 1.000 2 B 39.878 1 ATOM 1766 C CG2 . THR 29 264 ? B 6.382 56.556 8.008 1.000 2 B 39.878 1 ATOM 1767 N N . SER 30 265 ? B 4.623 55.538 12.526 1.000 2 B 32.490 1 ATOM 1768 C CA . SER 30 265 ? B 3.627 56.182 13.376 1.000 2 B 32.490 1 ATOM 1769 C C . SER 30 265 ? B 2.221 56.004 12.814 1.000 2 B 32.490 1 ATOM 1770 O O . SER 30 265 ? B 2.016 56.091 11.601 1.000 2 B 32.490 1 ATOM 1771 C CB . SER 30 265 ? B 3.939 57.671 13.533 1.000 2 B 32.490 1 ATOM 1772 O OG . SER 30 265 ? B 3.109 58.257 14.521 1.000 2 B 32.490 1 ATOM 1773 N N . PRO 31 266 ? B 1.140 56.154 13.665 1.000 2 B 45.415 1 ATOM 1774 C CA . PRO 31 266 ? B -0.109 55.429 13.910 1.000 2 B 45.415 1 ATOM 1775 C C . PRO 31 266 ? B -1.340 56.202 13.440 1.000 2 B 45.415 1 ATOM 1776 O O . PRO 31 266 ? B -1.306 57.432 13.354 1.000 2 B 45.415 1 ATOM 1777 C CB . PRO 31 266 ? B -0.122 55.253 15.430 1.000 2 B 45.415 1 ATOM 1778 C CG . PRO 31 266 ? B 0.514 56.494 15.965 1.000 2 B 45.415 1 ATOM 1779 C CD . PRO 31 266 ? B 1.020 57.308 14.808 1.000 2 B 45.415 1 ATOM 1780 N N . SER 32 267 ? B -2.237 55.559 12.610 1.000 2 B 39.340 1 ATOM 1781 C CA . SER 32 267 ? B -3.567 56.117 12.387 1.000 2 B 39.340 1 ATOM 1782 C C . SER 32 267 ? B -4.655 55.148 12.837 1.000 2 B 39.340 1 ATOM 1783 O O . SER 32 267 ? B -4.592 53.953 12.539 1.000 2 B 39.340 1 ATOM 1784 C CB . SER 32 267 ? B -3.762 56.466 10.911 1.000 2 B 39.340 1 ATOM 1785 O OG . SER 32 267 ? B -5.060 56.986 10.684 1.000 2 B 39.340 1 ATOM 1786 N N . SER 33 268 ? B -5.259 55.269 14.072 1.000 2 B 35.266 1 ATOM 1787 C CA . SER 33 268 ? B -6.524 55.617 14.709 1.000 2 B 35.266 1 ATOM 1788 C C . SER 33 268 ? B -7.709 55.069 13.921 1.000 2 B 35.266 1 ATOM 1789 O O . SER 33 268 ? B -7.803 55.272 12.709 1.000 2 B 35.266 1 ATOM 1790 C CB . SER 33 268 ? B -6.654 57.134 14.850 1.000 2 B 35.266 1 ATOM 1791 O OG . SER 33 268 ? B -6.459 57.775 13.601 1.000 2 B 35.266 1 ATOM 1792 N N . ALA 34 269 ? B -8.355 53.967 14.332 1.000 2 B 43.324 1 ATOM 1793 C CA . ALA 34 269 ? B -9.815 53.964 14.293 1.000 2 B 43.324 1 ATOM 1794 C C . ALA 34 269 ? B -10.386 52.869 15.189 1.000 2 B 43.324 1 ATOM 1795 O O . ALA 34 269 ? B -9.923 51.726 15.154 1.000 2 B 43.324 1 ATOM 1796 C CB . ALA 34 269 ? B -10.309 53.787 12.859 1.000 2 B 43.324 1 ATOM 1797 N N . GLU 35 270 ? B -10.628 53.109 16.476 1.000 2 B 34.087 1 ATOM 1798 C CA . GLU 35 270 ? B -11.790 53.144 17.358 1.000 2 B 34.087 1 ATOM 1799 C C . GLU 35 270 ? B -13.001 52.485 16.702 1.000 2 B 34.087 1 ATOM 1800 O O . GLU 35 270 ? B -13.394 52.860 15.596 1.000 2 B 34.087 1 ATOM 1801 C CB . GLU 35 270 ? B -12.124 54.586 17.750 1.000 2 B 34.087 1 ATOM 1802 C CG . GLU 35 270 ? B -12.154 54.823 19.253 1.000 2 B 34.087 1 ATOM 1803 C CD . GLU 35 270 ? B -12.310 56.288 19.627 1.000 2 B 34.087 1 ATOM 1804 O OE1 . GLU 35 270 ? B -13.084 56.597 20.561 1.000 2 B 34.087 1 ATOM 1805 O OE2 . GLU 35 270 ? B -11.655 57.134 18.979 1.000 2 B 34.087 1 ATOM 1806 N N . ALA 36 271 ? B -13.343 51.177 16.901 1.000 2 B 44.916 1 ATOM 1807 C CA . ALA 36 271 ? B -14.716 50.680 16.950 1.000 2 B 44.916 1 ATOM 1808 C C . ALA 36 271 ? B -14.824 49.456 17.855 1.000 2 B 44.916 1 ATOM 1809 O O . ALA 36 271 ? B -14.037 48.514 17.731 1.000 2 B 44.916 1 ATOM 1810 C CB . ALA 36 271 ? B -15.212 50.346 15.546 1.000 2 B 44.916 1 ATOM 1811 N N . THR 37 272 ? B -15.021 49.602 19.179 1.000 2 B 33.588 1 ATOM 1812 C CA . THR 37 272 ? B -16.079 49.224 20.109 1.000 2 B 33.588 1 ATOM 1813 C C . THR 37 272 ? B -16.820 47.986 19.610 1.000 2 B 33.588 1 ATOM 1814 O O . THR 37 272 ? B -17.220 47.923 18.446 1.000 2 B 33.588 1 ATOM 1815 C CB . THR 37 272 ? B -17.080 50.376 20.316 1.000 2 B 33.588 1 ATOM 1816 O OG1 . THR 37 272 ? B -16.408 51.626 20.118 1.000 2 B 33.588 1 ATOM 1817 C CG2 . THR 37 272 ? B -17.671 50.346 21.721 1.000 2 B 33.588 1 ATOM 1818 N N . GLY 38 273 ? B -16.592 46.704 20.142 1.000 2 B 38.467 1 ATOM 1819 C CA . GLY 38 273 ? B -17.632 45.818 20.641 1.000 2 B 38.467 1 ATOM 1820 C C . GLY 38 273 ? B -17.375 44.357 20.321 1.000 2 B 38.467 1 ATOM 1821 O O . GLY 38 273 ? B -16.979 44.021 19.203 1.000 2 B 38.467 1 ATOM 1822 N N . LYS 39 274 ? B -16.795 43.505 21.234 1.000 2 B 39.535 1 ATOM 1823 C CA . LYS 39 274 ? B -17.339 42.362 21.962 1.000 2 B 39.535 1 ATOM 1824 C C . LYS 39 274 ? B -17.424 41.129 21.067 1.000 2 B 39.535 1 ATOM 1825 O O . LYS 39 274 ? B -17.853 41.221 19.915 1.000 2 B 39.535 1 ATOM 1826 C CB . LYS 39 274 ? B -18.720 42.694 22.529 1.000 2 B 39.535 1 ATOM 1827 C CG . LYS 39 274 ? B -18.926 44.171 22.833 1.000 2 B 39.535 1 ATOM 1828 C CD . LYS 39 274 ? B -20.137 44.393 23.729 1.000 2 B 39.535 1 ATOM 1829 C CE . LYS 39 274 ? B -20.537 45.862 23.776 1.000 2 B 39.535 1 ATOM 1830 N NZ . LYS 39 274 ? B -19.875 46.581 24.906 1.000 2 B 39.535 1 ATOM 1831 N N . LEU 40 275 ? B -16.480 40.179 21.016 1.000 2 B 42.088 1 ATOM 1832 C CA . LEU 40 275 ? B -16.489 38.731 21.187 1.000 2 B 42.088 1 ATOM 1833 C C . LEU 40 275 ? B -15.389 38.079 20.356 1.000 2 B 42.088 1 ATOM 1834 O O . LEU 40 275 ? B -15.284 38.328 19.153 1.000 2 B 42.088 1 ATOM 1835 C CB . LEU 40 275 ? B -17.851 38.152 20.796 1.000 2 B 42.088 1 ATOM 1836 C CG . LEU 40 275 ? B -19.026 38.509 21.707 1.000 2 B 42.088 1 ATOM 1837 C CD1 . LEU 40 275 ? B -20.338 38.035 21.091 1.000 2 B 42.088 1 ATOM 1838 C CD2 . LEU 40 275 ? B -18.831 37.904 23.093 1.000 2 B 42.088 1 ATOM 1839 N N . ALA 41 276 ? B -14.256 37.953 20.901 1.000 2 B 39.963 1 ATOM 1840 C CA . ALA 41 276 ? B -13.199 37.025 21.293 1.000 2 B 39.963 1 ATOM 1841 C C . ALA 41 276 ? B -13.375 35.673 20.607 1.000 2 B 39.963 1 ATOM 1842 O O . ALA 41 276 ? B -14.330 34.946 20.890 1.000 2 B 39.963 1 ATOM 1843 C CB . ALA 41 276 ? B -13.180 36.850 22.809 1.000 2 B 39.963 1 ATOM 1844 N N . VAL 42 277 ? B -13.482 35.611 19.225 1.000 2 B 42.954 1 ATOM 1845 C CA . VAL 42 277 ? B -13.345 34.308 18.583 1.000 2 B 42.954 1 ATOM 1846 C C . VAL 42 277 ? B -12.071 34.277 17.742 1.000 2 B 42.954 1 ATOM 1847 O O . VAL 42 277 ? B -11.808 35.201 16.967 1.000 2 B 42.954 1 ATOM 1848 C CB . VAL 42 277 ? B -14.572 33.978 17.704 1.000 2 B 42.954 1 ATOM 1849 C CG1 . VAL 42 277 ? B -14.274 32.796 16.782 1.000 2 B 42.954 1 ATOM 1850 C CG2 . VAL 42 277 ? B -15.791 33.684 18.577 1.000 2 B 42.954 1 ATOM 1851 N N . ASP 43 278 ? B -10.953 34.195 18.383 1.000 2 B 43.129 1 ATOM 1852 C CA . ASP 43 278 ? B -9.740 33.472 18.012 1.000 2 B 43.129 1 ATOM 1853 C C . ASP 43 278 ? B -9.799 33.011 16.558 1.000 2 B 43.129 1 ATOM 1854 O O . ASP 43 278 ? B -10.580 32.121 16.214 1.000 2 B 43.129 1 ATOM 1855 C CB . ASP 43 278 ? B -9.527 32.272 18.937 1.000 2 B 43.129 1 ATOM 1856 C CG . ASP 43 278 ? B -8.205 32.325 19.682 1.000 2 B 43.129 1 ATOM 1857 O OD1 . ASP 43 278 ? B -7.332 33.142 19.318 1.000 2 B 43.129 1 ATOM 1858 O OD2 . ASP 43 278 ? B -8.033 31.540 20.640 1.000 2 B 43.129 1 ATOM 1859 N N . THR 44 279 ? B -9.922 33.914 15.638 1.000 2 B 47.190 1 ATOM 1860 C CA . THR 44 279 ? B -9.663 33.795 14.207 1.000 2 B 47.190 1 ATOM 1861 C C . THR 44 279 ? B -8.223 33.360 13.952 1.000 2 B 47.190 1 ATOM 1862 O O . THR 44 279 ? B -7.283 33.999 14.429 1.000 2 B 47.190 1 ATOM 1863 C CB . THR 44 279 ? B -9.939 35.122 13.477 1.000 2 B 47.190 1 ATOM 1864 O OG1 . THR 44 279 ? B -11.269 35.560 13.779 1.000 2 B 47.190 1 ATOM 1865 C CG2 . THR 44 279 ? B -9.801 34.958 11.967 1.000 2 B 47.190 1 ATOM 1866 N N . PHE 45 280 ? B -7.788 32.232 14.370 1.000 2 B 40.863 1 ATOM 1867 C CA . PHE 45 280 ? B -6.548 31.638 13.886 1.000 2 B 40.863 1 ATOM 1868 C C . PHE 45 280 ? B -6.468 31.715 12.366 1.000 2 B 40.863 1 ATOM 1869 O O . PHE 45 280 ? B -7.439 31.404 11.672 1.000 2 B 40.863 1 ATOM 1870 C CB . PHE 45 280 ? B -6.432 30.181 14.345 1.000 2 B 40.863 1 ATOM 1871 C CG . PHE 45 280 ? B -6.126 30.029 15.810 1.000 2 B 40.863 1 ATOM 1872 C CD1 . PHE 45 280 ? B -4.827 30.173 16.282 1.000 2 B 40.863 1 ATOM 1873 C CD2 . PHE 45 280 ? B -7.138 29.741 16.717 1.000 2 B 40.863 1 ATOM 1874 C CE1 . PHE 45 280 ? B -4.541 30.032 17.638 1.000 2 B 40.863 1 ATOM 1875 C CE2 . PHE 45 280 ? B -6.860 29.600 18.073 1.000 2 B 40.863 1 ATOM 1876 C CZ . PHE 45 280 ? B -5.560 29.745 18.532 1.000 2 B 40.863 1 ATOM 1877 N N . PRO 46 281 ? B -5.585 32.570 11.822 1.000 2 B 46.139 1 ATOM 1878 C CA . PRO 46 281 ? B -5.287 32.675 10.391 1.000 2 B 46.139 1 ATOM 1879 C C . PRO 46 281 ? B -5.044 31.317 9.737 1.000 2 B 46.139 1 ATOM 1880 O O . PRO 46 281 ? B -4.410 30.444 10.335 1.000 2 B 46.139 1 ATOM 1881 C CB . PRO 46 281 ? B -4.019 33.532 10.358 1.000 2 B 46.139 1 ATOM 1882 C CG . PRO 46 281 ? B -3.453 33.431 11.737 1.000 2 B 46.139 1 ATOM 1883 C CD . PRO 46 281 ? B -4.541 32.976 12.667 1.000 2 B 46.139 1 ATOM 1884 N N . ALA 47 282 ? B -5.996 30.719 9.169 1.000 2 B 46.469 1 ATOM 1885 C CA . ALA 47 282 ? B -6.048 29.717 8.107 1.000 2 B 46.469 1 ATOM 1886 C C . ALA 47 282 ? B -4.725 29.652 7.350 1.000 2 B 46.469 1 ATOM 1887 O O . ALA 47 282 ? B -4.211 30.677 6.896 1.000 2 B 46.469 1 ATOM 1888 C CB . ALA 47 282 ? B -7.194 30.020 7.145 1.000 2 B 46.469 1 ATOM 1889 N N . ARG 48 283 ? B -3.647 29.230 8.021 1.000 2 B 49.079 1 ATOM 1890 C CA . ARG 48 283 ? B -2.462 28.708 7.348 1.000 2 B 49.079 1 ATOM 1891 C C . ARG 48 283 ? B -2.828 28.067 6.013 1.000 2 B 49.079 1 ATOM 1892 O O . ARG 48 283 ? B -3.732 27.231 5.947 1.000 2 B 49.079 1 ATOM 1893 C CB . ARG 48 283 ? B -1.743 27.691 8.237 1.000 2 B 49.079 1 ATOM 1894 C CG . ARG 48 283 ? B -1.188 28.281 9.524 1.000 2 B 49.079 1 ATOM 1895 C CD . ARG 48 283 ? B -0.346 27.272 10.290 1.000 2 B 49.079 1 ATOM 1896 N NE . ARG 48 283 ? B -0.332 27.557 11.722 1.000 2 B 49.079 1 ATOM 1897 C CZ . ARG 48 283 ? B -0.260 26.635 12.678 1.000 2 B 49.079 1 ATOM 1898 N NH1 . ARG 48 283 ? B -0.192 25.345 12.372 1.000 2 B 49.079 1 ATOM 1899 N NH2 . ARG 48 283 ? B -0.255 27.006 13.950 1.000 2 B 49.079 1 ATOM 1900 N N . VAL 49 284 ? B -3.187 28.849 5.021 1.000 2 B 45.736 1 ATOM 1901 C CA . VAL 49 284 ? B -3.025 28.771 3.573 1.000 2 B 45.736 1 ATOM 1902 C C . VAL 49 284 ? B -2.180 27.551 3.212 1.000 2 B 45.736 1 ATOM 1903 O O . VAL 49 284 ? B -1.046 27.413 3.677 1.000 2 B 45.736 1 ATOM 1904 C CB . VAL 49 284 ? B -2.378 30.054 3.004 1.000 2 B 45.736 1 ATOM 1905 C CG1 . VAL 49 284 ? B -3.048 30.461 1.693 1.000 2 B 45.736 1 ATOM 1906 C CG2 . VAL 49 284 ? B -2.459 31.189 4.024 1.000 2 B 45.736 1 ATOM 1907 N N . ILE 50 285 ? B -2.641 26.370 3.428 1.000 2 B 49.398 1 ATOM 1908 C CA . ILE 50 285 ? B -2.219 25.183 2.693 1.000 2 B 49.398 1 ATOM 1909 C C . ILE 50 285 ? B -2.209 25.479 1.195 1.000 2 B 49.398 1 ATOM 1910 O O . ILE 50 285 ? B -3.208 25.944 0.641 1.000 2 B 49.398 1 ATOM 1911 C CB . ILE 50 285 ? B -3.136 23.976 2.995 1.000 2 B 49.398 1 ATOM 1912 C CG1 . ILE 50 285 ? B -3.052 23.599 4.478 1.000 2 B 49.398 1 ATOM 1913 C CG2 . ILE 50 285 ? B -2.770 22.784 2.105 1.000 2 B 49.398 1 ATOM 1914 C CD1 . ILE 50 285 ? B -4.144 22.641 4.936 1.000 2 B 49.398 1 ATOM 1915 N N . LYS 51 286 ? B -1.258 26.275 0.734 1.000 2 B 51.138 1 ATOM 1916 C CA . LYS 51 286 ? B -0.777 26.458 -0.632 1.000 2 B 51.138 1 ATOM 1917 C C . LYS 51 286 ? B -0.815 25.146 -1.410 1.000 2 B 51.138 1 ATOM 1918 O O . LYS 51 286 ? B -0.130 24.186 -1.052 1.000 2 B 51.138 1 ATOM 1919 C CB . LYS 51 286 ? B 0.644 27.024 -0.630 1.000 2 B 51.138 1 ATOM 1920 C CG . LYS 51 286 ? B 0.736 28.463 -0.143 1.000 2 B 51.138 1 ATOM 1921 C CD . LYS 51 286 ? B 2.179 28.951 -0.114 1.000 2 B 51.138 1 ATOM 1922 C CE . LYS 51 286 ? B 2.276 30.380 0.404 1.000 2 B 51.138 1 ATOM 1923 N NZ . LYS 51 286 ? B 3.686 30.873 0.410 1.000 2 B 51.138 1 ATOM 1924 N N . HIS 52 287 ? B -1.951 24.326 -1.426 1.000 2 B 48.097 1 ATOM 1925 C CA . HIS 52 287 ? B -1.890 23.537 -2.652 1.000 2 B 48.097 1 ATOM 1926 C C . HIS 52 287 ? B -3.287 23.164 -3.136 1.000 2 B 48.097 1 ATOM 1927 O O . HIS 52 287 ? B -3.448 22.217 -3.910 1.000 2 B 48.097 1 ATOM 1928 C CB . HIS 52 287 ? B -1.055 22.274 -2.435 1.000 2 B 48.097 1 ATOM 1929 C CG . HIS 52 287 ? B 0.420 22.522 -2.443 1.000 2 B 48.097 1 ATOM 1930 N ND1 . HIS 52 287 ? B 1.144 22.662 -3.607 1.000 2 B 48.097 1 ATOM 1931 C CD2 . HIS 52 287 ? B 1.305 22.657 -1.428 1.000 2 B 48.097 1 ATOM 1932 C CE1 . HIS 52 287 ? B 2.415 22.872 -3.306 1.000 2 B 48.097 1 ATOM 1933 N NE2 . HIS 52 287 ? B 2.539 22.874 -1.990 1.000 2 B 48.097 1 ATOM 1934 N N . ARG 53 288 ? B -4.232 24.046 -3.211 1.000 2 B 45.427 1 ATOM 1935 C CA . ARG 53 288 ? B -5.299 23.633 -4.118 1.000 2 B 45.427 1 ATOM 1936 C C . ARG 53 288 ? B -6.322 24.749 -4.303 1.000 2 B 45.427 1 ATOM 1937 O O . ARG 53 288 ? B -6.981 25.159 -3.345 1.000 2 B 45.427 1 ATOM 1938 C CB . ARG 53 288 ? B -5.989 22.370 -3.597 1.000 2 B 45.427 1 ATOM 1939 C CG . ARG 53 288 ? B -6.187 21.296 -4.655 1.000 2 B 45.427 1 ATOM 1940 C CD . ARG 53 288 ? B -7.051 20.153 -4.143 1.000 2 B 45.427 1 ATOM 1941 N NE . ARG 53 288 ? B -7.304 19.160 -5.183 1.000 2 B 45.427 1 ATOM 1942 C CZ . ARG 53 288 ? B -7.248 17.843 -5.005 1.000 2 B 45.427 1 ATOM 1943 N NH1 . ARG 53 288 ? B -6.946 17.333 -3.816 1.000 2 B 45.427 1 ATOM 1944 N NH2 . ARG 53 288 ? B -7.496 17.030 -6.021 1.000 2 B 45.427 1 ATOM 1945 N N . ALA 54 289 ? B -5.905 25.877 -4.839 1.000 2 B 38.095 1 ATOM 1946 C CA . ALA 54 289 ? B -7.002 26.561 -5.520 1.000 2 B 38.095 1 ATOM 1947 C C . ALA 54 289 ? B -6.478 27.670 -6.428 1.000 2 B 38.095 1 ATOM 1948 O O . ALA 54 289 ? B -6.923 28.817 -6.337 1.000 2 B 38.095 1 ATOM 1949 C CB . ALA 54 289 ? B -7.987 27.131 -4.502 1.000 2 B 38.095 1 ATOM 1950 N N . ALA 55 290 ? B -5.556 27.336 -7.280 1.000 2 B 42.528 1 ATOM 1951 C CA . ALA 55 290 ? B -5.537 28.346 -8.335 1.000 2 B 42.528 1 ATOM 1952 C C . ALA 55 290 ? B -5.815 27.720 -9.699 1.000 2 B 42.528 1 ATOM 1953 O O . ALA 55 290 ? B -5.283 28.170 -10.716 1.000 2 B 42.528 1 ATOM 1954 C CB . ALA 55 290 ? B -4.195 29.074 -8.351 1.000 2 B 42.528 1 ATOM 1955 N N . PHE 56 291 ? B -6.746 26.692 -9.802 1.000 2 B 47.611 1 ATOM 1956 C CA . PHE 56 291 ? B -7.125 26.483 -11.194 1.000 2 B 47.611 1 ATOM 1957 C C . PHE 56 291 ? B -8.582 26.865 -11.422 1.000 2 B 47.611 1 ATOM 1958 O O . PHE 56 291 ? B -9.075 26.808 -12.550 1.000 2 B 47.611 1 ATOM 1959 C CB . PHE 56 291 ? B -6.894 25.025 -11.603 1.000 2 B 47.611 1 ATOM 1960 C CG . PHE 56 291 ? B -6.454 24.858 -13.033 1.000 2 B 47.611 1 ATOM 1961 C CD1 . PHE 56 291 ? B -7.366 24.503 -14.018 1.000 2 B 47.611 1 ATOM 1962 C CD2 . PHE 56 291 ? B -5.126 25.057 -13.391 1.000 2 B 47.611 1 ATOM 1963 C CE1 . PHE 56 291 ? B -6.962 24.347 -15.342 1.000 2 B 47.611 1 ATOM 1964 C CE2 . PHE 56 291 ? B -4.715 24.903 -14.712 1.000 2 B 47.611 1 ATOM 1965 C CZ . PHE 56 291 ? B -5.634 24.547 -15.686 1.000 2 B 47.611 1 ATOM 1966 N N . LEU 57 292 ? B -9.093 27.892 -10.670 1.000 2 B 46.258 1 ATOM 1967 C CA . LEU 57 292 ? B -10.445 28.191 -11.129 1.000 2 B 46.258 1 ATOM 1968 C C . LEU 57 292 ? B -10.687 29.696 -11.163 1.000 2 B 46.258 1 ATOM 1969 O O . LEU 57 292 ? B -10.603 30.366 -10.131 1.000 2 B 46.258 1 ATOM 1970 C CB . LEU 57 292 ? B -11.480 27.516 -10.225 1.000 2 B 46.258 1 ATOM 1971 C CG . LEU 57 292 ? B -12.099 26.220 -10.752 1.000 2 B 46.258 1 ATOM 1972 C CD1 . LEU 57 292 ? B -12.322 25.236 -9.608 1.000 2 B 46.258 1 ATOM 1973 C CD2 . LEU 57 292 ? B -13.408 26.510 -11.478 1.000 2 B 46.258 1 ATOM 1974 N N . GLU 58 293 ? B -9.967 30.478 -11.930 1.000 2 B 38.629 1 ATOM 1975 C CA . GLU 58 293 ? B -10.696 31.626 -12.460 1.000 2 B 38.629 1 ATOM 1976 C C . GLU 58 293 ? B -9.747 32.635 -13.099 1.000 2 B 38.629 1 ATOM 1977 O O . GLU 58 293 ? B -9.008 33.331 -12.399 1.000 2 B 38.629 1 ATOM 1978 C CB . GLU 58 293 ? B -11.514 32.300 -11.356 1.000 2 B 38.629 1 ATOM 1979 C CG . GLU 58 293 ? B -12.959 31.827 -11.285 1.000 2 B 38.629 1 ATOM 1980 C CD . GLU 58 293 ? B -13.896 32.850 -10.663 1.000 2 B 38.629 1 ATOM 1981 O OE1 . GLU 58 293 ? B -15.132 32.660 -10.728 1.000 2 B 38.629 1 ATOM 1982 O OE2 . GLU 58 293 ? B -13.390 33.850 -10.106 1.000 2 B 38.629 1 ATOM 1983 N N . ALA 59 294 ? B -8.954 32.263 -14.091 1.000 2 B 47.088 1 ATOM 1984 C CA . ALA 59 294 ? B -8.518 33.453 -14.817 1.000 2 B 47.088 1 ATOM 1985 C C . ALA 59 294 ? B -9.401 33.707 -16.035 1.000 2 B 47.088 1 ATOM 1986 O O . ALA 59 294 ? B -9.435 32.898 -16.965 1.000 2 B 47.088 1 ATOM 1987 C CB . ALA 59 294 ? B -7.058 33.311 -15.242 1.000 2 B 47.088 1 ATOM 1988 N N . LYS 60 295 ? B -10.720 33.823 -15.901 1.000 2 B 37.630 1 ATOM 1989 C CA . LYS 60 295 ? B -11.663 34.501 -16.785 1.000 2 B 37.630 1 ATOM 1990 C C . LYS 60 295 ? B -11.863 35.954 -16.365 1.000 2 B 37.630 1 ATOM 1991 O O . LYS 60 295 ? B -12.185 36.232 -15.207 1.000 2 B 37.630 1 ATOM 1992 C CB . LYS 60 295 ? B -13.006 33.770 -16.800 1.000 2 B 37.630 1 ATOM 1993 C CG . LYS 60 295 ? B -13.938 34.209 -17.920 1.000 2 B 37.630 1 ATOM 1994 C CD . LYS 60 295 ? B -14.210 33.073 -18.898 1.000 2 B 37.630 1 ATOM 1995 C CE . LYS 60 295 ? B -15.278 33.453 -19.915 1.000 2 B 37.630 1 ATOM 1996 N NZ . LYS 60 295 ? B -15.553 32.340 -20.872 1.000 2 B 37.630 1 ATOM 1997 N N . GLY 61 296 ? B -10.995 36.874 -16.715 1.000 2 B 36.676 1 ATOM 1998 C CA . GLY 61 296 ? B -11.527 38.172 -17.098 1.000 2 B 36.676 1 ATOM 1999 C C . GLY 61 296 ? B -10.557 39.311 -16.847 1.000 2 B 36.676 1 ATOM 2000 O O . GLY 61 296 ? B -9.942 39.386 -15.781 1.000 2 B 36.676 1 ATOM 2001 N N . GLN 62 297 ? B -9.793 39.790 -17.837 1.000 2 B 38.574 1 ATOM 2002 C CA . GLN 62 297 ? B -9.901 41.129 -18.407 1.000 2 B 38.574 1 ATOM 2003 C C . GLN 62 297 ? B -8.555 41.848 -18.379 1.000 2 B 38.574 1 ATOM 2004 O O . GLN 62 297 ? B -7.914 41.937 -17.330 1.000 2 B 38.574 1 ATOM 2005 C CB . GLN 62 297 ? B -10.950 41.950 -17.657 1.000 2 B 38.574 1 ATOM 2006 C CG . GLN 62 297 ? B -12.385 41.537 -17.958 1.000 2 B 38.574 1 ATOM 2007 C CD . GLN 62 297 ? B -12.948 42.227 -19.187 1.000 2 B 38.574 1 ATOM 2008 O OE1 . GLN 62 297 ? B -12.852 43.450 -19.327 1.000 2 B 38.574 1 ATOM 2009 N NE2 . GLN 62 297 ? B -13.541 41.447 -20.085 1.000 2 B 38.574 1 ATOM 2010 N N . GLY 63 298 ? B -7.821 41.778 -19.440 1.000 2 B 32.506 1 ATOM 2011 C CA . GLY 63 298 ? B -7.573 42.977 -20.225 1.000 2 B 32.506 1 ATOM 2012 C C . GLY 63 298 ? B -6.251 43.644 -19.894 1.000 2 B 32.506 1 ATOM 2013 O O . GLY 63 298 ? B -5.955 43.901 -18.726 1.000 2 B 32.506 1 ATOM 2014 N N . ALA 64 299 ? B -5.168 43.367 -20.679 1.000 2 B 33.017 1 ATOM 2015 C CA . ALA 64 299 ? B -4.595 44.475 -21.438 1.000 2 B 33.017 1 ATOM 2016 C C . ALA 64 299 ? B -3.076 44.508 -21.299 1.000 2 B 33.017 1 ATOM 2017 O O . ALA 64 299 ? B -2.546 44.437 -20.187 1.000 2 B 33.017 1 ATOM 2018 C CB . ALA 64 299 ? B -5.196 45.801 -20.978 1.000 2 B 33.017 1 ATOM 2019 N N . LEU 65 300 ? B -2.283 43.844 -22.211 1.000 2 B 42.022 1 ATOM 2020 C CA . LEU 65 300 ? B -1.250 44.356 -23.105 1.000 2 B 42.022 1 ATOM 2021 C C . LEU 65 300 ? B 0.081 43.654 -22.856 1.000 2 B 42.022 1 ATOM 2022 O O . LEU 65 300 ? B 0.560 43.607 -21.721 1.000 2 B 42.022 1 ATOM 2023 C CB . LEU 65 300 ? B -1.084 45.867 -22.923 1.000 2 B 42.022 1 ATOM 2024 C CG . LEU 65 300 ? B -2.234 46.740 -23.428 1.000 2 B 42.022 1 ATOM 2025 C CD1 . LEU 65 300 ? B -2.113 48.153 -22.866 1.000 2 B 42.022 1 ATOM 2026 C CD2 . LEU 65 300 ? B -2.257 46.766 -24.952 1.000 2 B 42.022 1 ATOM 2027 N N . ASP 66 301 ? B 0.447 42.662 -23.760 1.000 2 B 39.519 1 ATOM 2028 C CA . ASP 66 301 ? B 1.325 42.528 -24.919 1.000 2 B 39.519 1 ATOM 2029 C C . ASP 66 301 ? B 1.857 41.102 -25.043 1.000 2 B 39.519 1 ATOM 2030 O O . ASP 66 301 ? B 2.396 40.549 -24.082 1.000 2 B 39.519 1 ATOM 2031 C CB . ASP 66 301 ? B 2.489 43.517 -24.828 1.000 2 B 39.519 1 ATOM 2032 C CG . ASP 66 301 ? B 3.093 43.849 -26.181 1.000 2 B 39.519 1 ATOM 2033 O OD1 . ASP 66 301 ? B 2.594 43.347 -27.211 1.000 2 B 39.519 1 ATOM 2034 O OD2 . ASP 66 301 ? B 4.078 44.618 -26.217 1.000 2 B 39.519 1 ATOM 2035 N N . PRO 67 302 ? B 1.587 40.414 -26.180 1.000 2 B 43.576 1 ATOM 2036 C CA . PRO 67 302 ? B 2.033 39.191 -26.852 1.000 2 B 43.576 1 ATOM 2037 C C . PRO 67 302 ? B 3.356 39.374 -27.592 1.000 2 B 43.576 1 ATOM 2038 O O . PRO 67 302 ? B 3.652 40.471 -28.073 1.000 2 B 43.576 1 ATOM 2039 C CB . PRO 67 302 ? B 0.896 38.892 -27.832 1.000 2 B 43.576 1 ATOM 2040 C CG . PRO 67 302 ? B 0.352 40.233 -28.207 1.000 2 B 43.576 1 ATOM 2041 C CD . PRO 67 302 ? B 1.007 41.272 -27.342 1.000 2 B 43.576 1 ATOM 2042 N N . ASN 68 303 ? B 4.466 38.965 -27.058 1.000 2 B 35.343 1 ATOM 2043 C CA . ASN 68 303 ? B 5.471 38.480 -27.997 1.000 2 B 35.343 1 ATOM 2044 C C . ASN 68 303 ? B 6.731 38.009 -27.277 1.000 2 B 35.343 1 ATOM 2045 O O . ASN 68 303 ? B 7.437 38.811 -26.664 1.000 2 B 35.343 1 ATOM 2046 C CB . ASN 68 303 ? B 5.818 39.564 -29.020 1.000 2 B 35.343 1 ATOM 2047 C CG . ASN 68 303 ? B 4.772 39.697 -30.109 1.000 2 B 35.343 1 ATOM 2048 O OD1 . ASN 68 303 ? B 4.011 38.762 -30.373 1.000 2 B 35.343 1 ATOM 2049 N ND2 . ASN 68 303 ? B 4.725 40.860 -30.747 1.000 2 B 35.343 1 ATOM 2050 N N . GLY 69 304 ? B 6.975 36.716 -26.869 1.000 2 B 37.296 1 ATOM 2051 C CA . GLY 69 304 ? B 8.281 36.248 -27.302 1.000 2 B 37.296 1 ATOM 2052 C C . GLY 69 304 ? B 8.569 34.817 -26.891 1.000 2 B 37.296 1 ATOM 2053 O O . GLY 69 304 ? B 8.299 34.426 -25.753 1.000 2 B 37.296 1 ATOM 2054 N N . THR 70 305 ? B 8.329 33.739 -27.770 1.000 2 B 41.400 1 ATOM 2055 C CA . THR 70 305 ? B 8.837 32.662 -28.613 1.000 2 B 41.400 1 ATOM 2056 C C . THR 70 305 ? B 10.042 31.989 -27.962 1.000 2 B 41.400 1 ATOM 2057 O O . THR 70 305 ? B 10.926 32.665 -27.433 1.000 2 B 41.400 1 ATOM 2058 C CB . THR 70 305 ? B 9.227 33.181 -30.009 1.000 2 B 41.400 1 ATOM 2059 O OG1 . THR 70 305 ? B 9.518 34.582 -29.927 1.000 2 B 41.400 1 ATOM 2060 C CG2 . THR 70 305 ? B 8.097 32.966 -31.011 1.000 2 B 41.400 1 ATOM 2061 N N . ARG 71 306 ? B 10.025 30.761 -27.582 1.000 2 B 33.040 1 ATOM 2062 C CA . ARG 71 306 ? B 10.491 29.399 -27.816 1.000 2 B 33.040 1 ATOM 2063 C C . ARG 71 306 ? B 11.745 29.390 -28.684 1.000 2 B 33.040 1 ATOM 2064 O O . ARG 71 306 ? B 11.795 30.058 -29.719 1.000 2 B 33.040 1 ATOM 2065 C CB . ARG 71 306 ? B 9.393 28.560 -28.475 1.000 2 B 33.040 1 ATOM 2066 C CG . ARG 71 306 ? B 8.283 28.143 -27.524 1.000 2 B 33.040 1 ATOM 2067 C CD . ARG 71 306 ? B 8.379 26.669 -27.157 1.000 2 B 33.040 1 ATOM 2068 N NE . ARG 71 306 ? B 7.835 25.815 -28.209 1.000 2 B 33.040 1 ATOM 2069 C CZ . ARG 71 306 ? B 7.110 24.720 -27.998 1.000 2 B 33.040 1 ATOM 2070 N NH1 . ARG 71 306 ? B 6.825 24.323 -26.763 1.000 2 B 33.040 1 ATOM 2071 N NH2 . ARG 71 306 ? B 6.665 24.017 -29.029 1.000 2 B 33.040 1 ATOM 2072 N N . VAL 72 307 ? B 12.942 29.090 -28.103 1.000 2 B 41.998 1 ATOM 2073 C CA . VAL 72 307 ? B 14.064 28.599 -28.897 1.000 2 B 41.998 1 ATOM 2074 C C . VAL 72 307 ? B 14.973 27.734 -28.028 1.000 2 B 41.998 1 ATOM 2075 O O . VAL 72 307 ? B 15.416 28.165 -26.961 1.000 2 B 41.998 1 ATOM 2076 C CB . VAL 72 307 ? B 14.869 29.761 -29.520 1.000 2 B 41.998 1 ATOM 2077 C CG1 . VAL 72 307 ? B 16.091 29.231 -30.268 1.000 2 B 41.998 1 ATOM 2078 C CG2 . VAL 72 307 ? B 13.983 30.584 -30.453 1.000 2 B 41.998 1 ATOM 2079 N N . ARG 73 308 ? B 14.932 26.390 -28.150 1.000 2 B 34.795 1 ATOM 2080 C CA . ARG 73 308 ? B 15.697 25.215 -28.557 1.000 2 B 34.795 1 ATOM 2081 C C . ARG 73 308 ? B 16.999 25.619 -29.240 1.000 2 B 34.795 1 ATOM 2082 O O . ARG 73 308 ? B 17.006 26.494 -30.108 1.000 2 B 34.795 1 ATOM 2083 C CB . ARG 73 308 ? B 14.868 24.331 -29.491 1.000 2 B 34.795 1 ATOM 2084 C CG . ARG 73 308 ? B 14.820 22.870 -29.075 1.000 2 B 34.795 1 ATOM 2085 C CD . ARG 73 308 ? B 14.240 21.989 -30.173 1.000 2 B 34.795 1 ATOM 2086 N NE . ARG 73 308 ? B 14.243 20.579 -29.791 1.000 2 B 34.795 1 ATOM 2087 C CZ . ARG 73 308 ? B 13.779 19.588 -30.548 1.000 2 B 34.795 1 ATOM 2088 N NH1 . ARG 73 308 ? B 13.264 19.834 -31.747 1.000 2 B 34.795 1 ATOM 2089 N NH2 . ARG 73 308 ? B 13.830 18.342 -30.102 1.000 2 B 34.795 1 ATOM 2090 N N . HIS 74 309 ? B 18.280 25.083 -28.813 1.000 2 B 39.744 1 ATOM 2091 C CA . HIS 74 309 ? B 19.337 24.440 -29.586 1.000 2 B 39.744 1 ATOM 2092 C C . HIS 74 309 ? B 20.586 24.222 -28.738 1.000 2 B 39.744 1 ATOM 2093 O O . HIS 74 309 ? B 21.078 25.156 -28.100 1.000 2 B 39.744 1 ATOM 2094 C CB . HIS 74 309 ? B 19.679 25.272 -30.822 1.000 2 B 39.744 1 ATOM 2095 C CG . HIS 74 309 ? B 18.562 25.366 -31.811 1.000 2 B 39.744 1 ATOM 2096 N ND1 . HIS 74 309 ? B 18.163 24.299 -32.587 1.000 2 B 39.744 1 ATOM 2097 C CD2 . HIS 74 309 ? B 17.756 26.401 -32.147 1.000 2 B 39.744 1 ATOM 2098 C CE1 . HIS 74 309 ? B 17.159 24.676 -33.361 1.000 2 B 39.744 1 ATOM 2099 N NE2 . HIS 74 309 ? B 16.892 25.947 -33.113 1.000 2 B 39.744 1 ATOM 2100 N N . GLY 75 310 ? B 21.155 22.958 -28.642 1.000 2 B 32.055 1 ATOM 2101 C CA . GLY 75 310 ? B 22.174 22.284 -29.431 1.000 2 B 32.055 1 ATOM 2102 C C . GLY 75 310 ? B 23.540 22.290 -28.772 1.000 2 B 32.055 1 ATOM 2103 O O . GLY 75 310 ? B 23.954 23.299 -28.198 1.000 2 B 32.055 1 ATOM 2104 N N . SER 76 311 ? B 24.110 21.109 -28.332 1.000 2 B 34.225 1 ATOM 2105 C CA . SER 76 311 ? B 25.143 20.118 -28.617 1.000 2 B 34.225 1 ATOM 2106 C C . SER 76 311 ? B 26.181 20.666 -29.591 1.000 2 B 34.225 1 ATOM 2107 O O . SER 76 311 ? B 25.830 21.199 -30.646 1.000 2 B 34.225 1 ATOM 2108 C CB . SER 76 311 ? B 24.520 18.843 -29.188 1.000 2 B 34.225 1 ATOM 2109 O OG . SER 76 311 ? B 23.858 19.110 -30.412 1.000 2 B 34.225 1 ATOM 2110 N N . GLY 77 312 ? B 27.390 20.784 -29.185 1.000 2 B 39.364 1 ATOM 2111 C CA . GLY 77 312 ? B 28.602 20.421 -29.901 1.000 2 B 39.364 1 ATOM 2112 C C . GLY 77 312 ? B 29.827 20.360 -29.008 1.000 2 B 39.364 1 ATOM 2113 O O . GLY 77 312 ? B 29.897 21.056 -27.993 1.000 2 B 39.364 1 ATOM 2114 N N . PRO 78 313 ? B 30.891 19.612 -29.492 1.000 2 B 44.255 1 ATOM 2115 C CA . PRO 78 313 ? B 32.009 18.724 -29.164 1.000 2 B 44.255 1 ATOM 2116 C C . PRO 78 313 ? B 33.304 19.484 -28.883 1.000 2 B 44.255 1 ATOM 2117 O O . PRO 78 313 ? B 33.357 20.704 -29.056 1.000 2 B 44.255 1 ATOM 2118 C CB . PRO 78 313 ? B 32.147 17.854 -30.417 1.000 2 B 44.255 1 ATOM 2119 C CG . PRO 78 313 ? B 31.802 18.763 -31.552 1.000 2 B 44.255 1 ATOM 2120 C CD . PRO 78 313 ? B 31.331 20.073 -30.989 1.000 2 B 44.255 1 ATOM 2121 N N . PRO 79 314 ? B 34.569 18.703 -28.893 1.000 2 B 46.410 1 ATOM 2122 C CA . PRO 79 314 ? B 35.521 17.749 -28.320 1.000 2 B 46.410 1 ATOM 2123 C C . PRO 79 314 ? B 36.920 18.339 -28.153 1.000 2 B 46.410 1 ATOM 2124 O O . PRO 79 314 ? B 37.231 19.376 -28.744 1.000 2 B 46.410 1 ATOM 2125 C CB . PRO 79 314 ? B 35.529 16.605 -29.336 1.000 2 B 46.410 1 ATOM 2126 C CG . PRO 79 314 ? B 35.368 17.272 -30.664 1.000 2 B 46.410 1 ATOM 2127 C CD . PRO 79 314 ? B 35.114 18.734 -30.435 1.000 2 B 46.410 1 ATOM 2128 N N . SER 80 315 ? B 37.764 18.066 -27.138 1.000 2 B 42.278 1 ATOM 2129 C CA . SER 80 315 ? B 39.201 18.004 -27.386 1.000 2 B 42.278 1 ATOM 2130 C C . SER 80 315 ? B 39.959 17.569 -26.137 1.000 2 B 42.278 1 ATOM 2131 O O . SER 80 315 ? B 39.698 18.066 -25.040 1.000 2 B 42.278 1 ATOM 2132 C CB . SER 80 315 ? B 39.721 19.362 -27.862 1.000 2 B 42.278 1 ATOM 2133 O OG . SER 80 315 ? B 39.798 19.403 -29.276 1.000 2 B 42.278 1 ATOM 2134 N N . SER 81 316 ? B 40.658 16.330 -26.051 1.000 2 B 35.254 1 ATOM 2135 C CA . SER 81 316 ? B 42.018 15.917 -26.378 1.000 2 B 35.254 1 ATOM 2136 C C . SER 81 316 ? B 42.949 16.081 -25.181 1.000 2 B 35.254 1 ATOM 2137 O O . SER 81 316 ? B 43.061 17.173 -24.620 1.000 2 B 35.254 1 ATOM 2138 C CB . SER 81 316 ? B 42.553 16.722 -27.564 1.000 2 B 35.254 1 ATOM 2139 O OG . SER 81 316 ? B 43.800 16.210 -27.999 1.000 2 B 35.254 1 ATOM 2140 N N . GLY 82 317 ? B 43.385 15.091 -24.366 1.000 2 B 39.106 1 ATOM 2141 C CA . GLY 82 317 ? B 44.759 14.643 -24.199 1.000 2 B 39.106 1 ATOM 2142 C C . GLY 82 317 ? B 45.202 14.604 -22.749 1.000 2 B 39.106 1 ATOM 2143 O O . GLY 82 317 ? B 45.034 15.581 -22.017 1.000 2 B 39.106 1 ATOM 2144 N N . GLY 83 318 ? B 45.371 13.461 -22.085 1.000 2 B 33.617 1 ATOM 2145 C CA . GLY 83 318 ? B 46.644 12.872 -21.698 1.000 2 B 33.617 1 ATOM 2146 C C . GLY 83 318 ? B 46.936 13.003 -20.215 1.000 2 B 33.617 1 ATOM 2147 O O . GLY 83 318 ? B 47.048 14.115 -19.695 1.000 2 B 33.617 1 ATOM 2148 N N . GLY 84 319 ? B 46.705 12.043 -19.300 1.000 2 B 41.156 1 ATOM 2149 C CA . GLY 84 319 ? B 47.667 11.765 -18.246 1.000 2 B 41.156 1 ATOM 2150 C C . GLY 84 319 ? B 47.361 10.491 -17.481 1.000 2 B 41.156 1 ATOM 2151 O O . GLY 84 319 ? B 46.293 10.364 -16.877 1.000 2 B 41.156 1 ATOM 2152 N N . LEU 85 320 ? B 47.688 9.364 -18.013 1.000 2 B 37.512 1 ATOM 2153 C CA . LEU 85 320 ? B 48.181 8.034 -17.670 1.000 2 B 37.512 1 ATOM 2154 C C . LEU 85 320 ? B 49.175 8.104 -16.515 1.000 2 B 37.512 1 ATOM 2155 O O . LEU 85 320 ? B 50.229 8.732 -16.635 1.000 2 B 37.512 1 ATOM 2156 C CB . LEU 85 320 ? B 48.839 7.377 -18.886 1.000 2 B 37.512 1 ATOM 2157 C CG . LEU 85 320 ? B 47.911 7.020 -20.049 1.000 2 B 37.512 1 ATOM 2158 C CD1 . LEU 85 320 ? B 48.726 6.601 -21.268 1.000 2 B 37.512 1 ATOM 2159 C CD2 . LEU 85 320 ? B 46.943 5.915 -19.641 1.000 2 B 37.512 1 ATOM 2160 N N . TYR 86 321 ? B 48.868 8.246 -15.221 1.000 2 B 33.551 1 ATOM 2161 C CA . TYR 86 321 ? B 49.605 7.518 -14.194 1.000 2 B 33.551 1 ATOM 2162 C C . TYR 86 321 ? B 49.429 8.173 -12.829 1.000 2 B 33.551 1 ATOM 2163 O O . TYR 86 321 ? B 50.016 9.224 -12.557 1.000 2 B 33.551 1 ATOM 2164 C CB . TYR 86 321 ? B 51.093 7.444 -14.549 1.000 2 B 33.551 1 ATOM 2165 C CG . TYR 86 321 ? B 51.803 6.257 -13.946 1.000 2 B 33.551 1 ATOM 2166 C CD1 . TYR 86 321 ? B 52.631 6.406 -12.836 1.000 2 B 33.551 1 ATOM 2167 C CD2 . TYR 86 321 ? B 51.649 4.984 -14.485 1.000 2 B 33.551 1 ATOM 2168 C CE1 . TYR 86 321 ? B 53.289 5.315 -12.278 1.000 2 B 33.551 1 ATOM 2169 C CE2 . TYR 86 321 ? B 52.302 3.886 -13.936 1.000 2 B 33.551 1 ATOM 2170 C CZ . TYR 86 321 ? B 53.118 4.061 -12.833 1.000 2 B 33.551 1 ATOM 2171 O OH . TYR 86 321 ? B 53.767 2.977 -12.285 1.000 2 B 33.551 1 ATOM 2172 N N . ARG 87 322 ? B 48.249 8.171 -12.158 1.000 2 B 44.501 1 ATOM 2173 C CA . ARG 87 322 ? B 48.329 8.060 -10.705 1.000 2 B 44.501 1 ATOM 2174 C C . ARG 87 322 ? B 47.482 6.897 -10.198 1.000 2 B 44.501 1 ATOM 2175 O O . ARG 87 322 ? B 46.275 6.848 -10.442 1.000 2 B 44.501 1 ATOM 2176 C CB . ARG 87 322 ? B 47.881 9.363 -10.040 1.000 2 B 44.501 1 ATOM 2177 C CG . ARG 87 322 ? B 49.025 10.301 -9.690 1.000 2 B 44.501 1 ATOM 2178 C CD . ARG 87 322 ? B 48.938 10.785 -8.250 1.000 2 B 44.501 1 ATOM 2179 N NE . ARG 87 322 ? B 48.895 12.242 -8.172 1.000 2 B 44.501 1 ATOM 2180 C CZ . ARG 87 322 ? B 49.582 12.976 -7.301 1.000 2 B 44.501 1 ATOM 2181 N NH1 . ARG 87 322 ? B 50.383 12.399 -6.412 1.000 2 B 44.501 1 ATOM 2182 N NH2 . ARG 87 322 ? B 49.469 14.296 -7.318 1.000 2 B 44.501 1 ATOM 2183 N N . ASP 88 323 ? B 47.925 5.672 -10.416 1.000 2 B 41.368 1 ATOM 2184 C CA . ASP 88 323 ? B 48.220 4.472 -9.639 1.000 2 B 41.368 1 ATOM 2185 C C . ASP 88 323 ? B 48.293 4.788 -8.147 1.000 2 B 41.368 1 ATOM 2186 O O . ASP 88 323 ? B 49.050 5.666 -7.729 1.000 2 B 41.368 1 ATOM 2187 C CB . ASP 88 323 ? B 49.531 3.838 -10.107 1.000 2 B 41.368 1 ATOM 2188 C CG . ASP 88 323 ? B 49.722 2.422 -9.593 1.000 2 B 41.368 1 ATOM 2189 O OD1 . ASP 88 323 ? B 48.716 1.721 -9.350 1.000 2 B 41.368 1 ATOM 2190 O OD2 . ASP 88 323 ? B 50.889 2.005 -9.427 1.000 2 B 41.368 1 ATOM 2191 N N . MET 89 324 ? B 47.242 4.566 -7.290 1.000 2 B 43.114 1 ATOM 2192 C CA . MET 89 324 ? B 47.097 3.666 -6.149 1.000 2 B 43.114 1 ATOM 2193 C C . MET 89 324 ? B 46.296 4.328 -5.033 1.000 2 B 43.114 1 ATOM 2194 O O . MET 89 324 ? B 46.667 5.398 -4.547 1.000 2 B 43.114 1 ATOM 2195 C CB . MET 89 324 ? B 48.468 3.236 -5.625 1.000 2 B 43.114 1 ATOM 2196 C CG . MET 89 324 ? B 48.445 1.929 -4.849 1.000 2 B 43.114 1 ATOM 2197 S SD . MET 89 324 ? B 48.874 0.483 -5.894 1.000 2 B 43.114 1 ATOM 2198 C CE . MET 89 324 ? B 49.044 -0.795 -4.617 1.000 2 B 43.114 1 ATOM 2199 N N . GLY 90 325 ? B 44.965 4.211 -4.998 1.000 2 B 42.485 1 ATOM 2200 C CA . GLY 90 325 ? B 44.270 3.743 -3.810 1.000 2 B 42.485 1 ATOM 2201 C C . GLY 90 325 ? B 43.188 4.695 -3.337 1.000 2 B 42.485 1 ATOM 2202 O O . GLY 90 325 ? B 43.461 5.627 -2.577 1.000 2 B 42.485 1 ATOM 2203 N N . ALA 91 326 ? B 42.073 4.934 -4.073 1.000 2 B 47.841 1 ATOM 2204 C CA . ALA 91 326 ? B 40.854 5.125 -3.292 1.000 2 B 47.841 1 ATOM 2205 C C . ALA 91 326 ? B 39.619 4.734 -4.098 1.000 2 B 47.841 1 ATOM 2206 O O . ALA 91 326 ? B 39.031 5.569 -4.789 1.000 2 B 47.841 1 ATOM 2207 C CB . ALA 91 326 ? B 40.744 6.574 -2.824 1.000 2 B 47.841 1 ATOM 2208 N N . GLN 92 327 ? B 39.707 3.538 -4.724 1.000 2 B 40.840 1 ATOM 2209 C CA . GLN 92 327 ? B 38.655 2.660 -5.224 1.000 2 B 40.840 1 ATOM 2210 C C . GLN 92 327 ? B 37.896 2.001 -4.076 1.000 2 B 40.840 1 ATOM 2211 O O . GLN 92 327 ? B 38.402 1.073 -3.442 1.000 2 B 40.840 1 ATOM 2212 C CB . GLN 92 327 ? B 39.240 1.591 -6.148 1.000 2 B 40.840 1 ATOM 2213 C CG . GLN 92 327 ? B 39.892 2.153 -7.404 1.000 2 B 40.840 1 ATOM 2214 C CD . GLN 92 327 ? B 38.882 2.710 -8.390 1.000 2 B 40.840 1 ATOM 2215 O OE1 . GLN 92 327 ? B 38.096 1.963 -8.981 1.000 2 B 40.840 1 ATOM 2216 N NE2 . GLN 92 327 ? B 38.898 4.025 -8.576 1.000 2 B 40.840 1 ATOM 2217 N N . GLY 93 328 ? B 37.188 2.592 -3.191 1.000 2 B 45.353 1 ATOM 2218 C CA . GLY 93 328 ? B 36.189 1.790 -2.503 1.000 2 B 45.353 1 ATOM 2219 C C . GLY 93 328 ? B 34.895 2.539 -2.248 1.000 2 B 45.353 1 ATOM 2220 O O . GLY 93 328 ? B 34.112 2.158 -1.375 1.000 2 B 45.353 1 ATOM 2221 N N . GLY 94 329 ? B 34.223 3.177 -3.214 1.000 2 B 44.311 1 ATOM 2222 C CA . GLY 94 329 ? B 32.940 3.520 -2.622 1.000 2 B 44.311 1 ATOM 2223 C C . GLY 94 329 ? B 31.808 3.560 -3.630 1.000 2 B 44.311 1 ATOM 2224 O O . GLY 94 329 ? B 31.686 4.518 -4.397 1.000 2 B 44.311 1 ATOM 2225 N N . ARG 95 330 ? B 31.870 2.523 -4.583 1.000 2 B 39.241 1 ATOM 2226 C CA . ARG 95 330 ? B 30.669 2.230 -5.358 1.000 2 B 39.241 1 ATOM 2227 C C . ARG 95 330 ? B 29.412 2.635 -4.596 1.000 2 B 39.241 1 ATOM 2228 O O . ARG 95 330 ? B 29.274 2.329 -3.410 1.000 2 B 39.241 1 ATOM 2229 C CB . ARG 95 330 ? B 30.609 0.743 -5.715 1.000 2 B 39.241 1 ATOM 2230 C CG . ARG 95 330 ? B 31.745 0.277 -6.611 1.000 2 B 39.241 1 ATOM 2231 C CD . ARG 95 330 ? B 31.586 -1.182 -7.012 1.000 2 B 39.241 1 ATOM 2232 N NE . ARG 95 330 ? B 31.240 -1.318 -8.424 1.000 2 B 39.241 1 ATOM 2233 C CZ . ARG 95 330 ? B 31.312 -2.452 -9.117 1.000 2 B 39.241 1 ATOM 2234 N NH1 . ARG 95 330 ? B 31.720 -3.576 -8.537 1.000 2 B 39.241 1 ATOM 2235 N NH2 . ARG 95 330 ? B 30.973 -2.463 -10.397 1.000 2 B 39.241 1 ATOM 2236 N N . PRO 96 331 ? B 28.748 3.727 -4.911 1.000 2 B 50.775 1 ATOM 2237 C CA . PRO 96 331 ? B 27.412 4.033 -4.396 1.000 2 B 50.775 1 ATOM 2238 C C . PRO 96 331 ? B 26.441 2.863 -4.544 1.000 2 B 50.775 1 ATOM 2239 O O . PRO 96 331 ? B 26.502 2.126 -5.531 1.000 2 B 50.775 1 ATOM 2240 C CB . PRO 96 331 ? B 26.967 5.222 -5.252 1.000 2 B 50.775 1 ATOM 2241 C CG . PRO 96 331 ? B 27.843 5.171 -6.462 1.000 2 B 50.775 1 ATOM 2242 C CD . PRO 96 331 ? B 29.056 4.346 -6.138 1.000 2 B 50.775 1 ATOM 2243 N N . SER 97 332 ? B 26.384 1.836 -3.591 1.000 2 B 50.365 1 ATOM 2244 C CA . SER 97 332 ? B 25.260 1.022 -3.141 1.000 2 B 50.365 1 ATOM 2245 C C . SER 97 332 ? B 24.109 1.070 -4.141 1.000 2 B 50.365 1 ATOM 2246 O O . SER 97 332 ? B 23.823 2.121 -4.717 1.000 2 B 50.365 1 ATOM 2247 C CB . SER 97 332 ? B 24.774 1.490 -1.769 1.000 2 B 50.365 1 ATOM 2248 O OG . SER 97 332 ? B 25.078 0.528 -0.773 1.000 2 B 50.365 1 ATOM 2249 N N . LEU 98 333 ? B 24.089 0.298 -5.229 1.000 2 B 50.703 1 ATOM 2250 C CA . LEU 98 333 ? B 22.967 -0.309 -5.936 1.000 2 B 50.703 1 ATOM 2251 C C . LEU 98 333 ? B 21.642 0.265 -5.445 1.000 2 B 50.703 1 ATOM 2252 O O . LEU 98 333 ? B 20.661 -0.467 -5.296 1.000 2 B 50.703 1 ATOM 2253 C CB . LEU 98 333 ? B 22.977 -1.829 -5.753 1.000 2 B 50.703 1 ATOM 2254 C CG . LEU 98 333 ? B 23.656 -2.639 -6.858 1.000 2 B 50.703 1 ATOM 2255 C CD1 . LEU 98 333 ? B 24.445 -3.798 -6.257 1.000 2 B 50.703 1 ATOM 2256 C CD2 . LEU 98 333 ? B 22.625 -3.150 -7.858 1.000 2 B 50.703 1 ATOM 2257 N N . ILE 99 334 ? B 21.646 1.404 -4.603 1.000 2 B 48.584 1 ATOM 2258 C CA . ILE 99 334 ? B 20.295 1.899 -4.363 1.000 2 B 48.584 1 ATOM 2259 C C . ILE 99 334 ? B 19.782 2.622 -5.606 1.000 2 B 48.584 1 ATOM 2260 O O . ILE 99 334 ? B 20.464 3.493 -6.152 1.000 2 B 48.584 1 ATOM 2261 C CB . ILE 99 334 ? B 20.248 2.840 -3.138 1.000 2 B 48.584 1 ATOM 2262 C CG1 . ILE 99 334 ? B 20.705 2.098 -1.877 1.000 2 B 48.584 1 ATOM 2263 C CG2 . ILE 99 334 ? B 18.842 3.418 -2.955 1.000 2 B 48.584 1 ATOM 2264 C CD1 . ILE 99 334 ? B 21.050 3.014 -0.711 1.000 2 B 48.584 1 ATOM 2265 N N . ALA 100 335 ? B 19.902 2.023 -6.792 1.000 2 B 52.434 1 ATOM 2266 C CA . ALA 100 335 ? B 19.138 2.251 -8.016 1.000 2 B 52.434 1 ATOM 2267 C C . ALA 100 335 ? B 18.774 3.725 -8.169 1.000 2 B 52.434 1 ATOM 2268 O O . ALA 100 335 ? B 18.183 4.322 -7.266 1.000 2 B 52.434 1 ATOM 2269 C CB . ALA 100 335 ? B 17.876 1.392 -8.023 1.000 2 B 52.434 1 ATOM 2270 N N . ARG 101 336 ? B 19.616 4.642 -8.216 1.000 2 B 48.799 1 ATOM 2271 C CA . ARG 101 336 ? B 19.439 5.968 -8.798 1.000 2 B 48.799 1 ATOM 2272 C C . ARG 101 336 ? B 18.222 6.005 -9.716 1.000 2 B 48.799 1 ATOM 2273 O O . ARG 101 336 ? B 18.239 5.420 -10.801 1.000 2 B 48.799 1 ATOM 2274 C CB . ARG 101 336 ? B 20.691 6.389 -9.570 1.000 2 B 48.799 1 ATOM 2275 C CG . ARG 101 336 ? B 21.884 6.706 -8.683 1.000 2 B 48.799 1 ATOM 2276 C CD . ARG 101 336 ? B 23.120 7.050 -9.503 1.000 2 B 48.799 1 ATOM 2277 N NE . ARG 101 336 ? B 23.163 8.469 -9.844 1.000 2 B 48.799 1 ATOM 2278 C CZ . ARG 101 336 ? B 24.259 9.223 -9.815 1.000 2 B 48.799 1 ATOM 2279 N NH1 . ARG 101 336 ? B 25.429 8.705 -9.458 1.000 2 B 48.799 1 ATOM 2280 N NH2 . ARG 101 336 ? B 24.184 10.504 -10.146 1.000 2 B 48.799 1 ATOM 2281 N N . ILE 102 337 ? B 17.071 5.524 -9.304 1.000 2 B 53.425 1 ATOM 2282 C CA . ILE 102 337 ? B 15.891 5.701 -10.144 1.000 2 B 53.425 1 ATOM 2283 C C . ILE 102 337 ? B 15.924 7.081 -10.796 1.000 2 B 53.425 1 ATOM 2284 O O . ILE 102 337 ? B 16.083 8.094 -10.111 1.000 2 B 53.425 1 ATOM 2285 C CB . ILE 102 337 ? B 14.589 5.522 -9.332 1.000 2 B 53.425 1 ATOM 2286 C CG1 . ILE 102 337 ? B 14.572 4.152 -8.643 1.000 2 B 53.425 1 ATOM 2287 C CG2 . ILE 102 337 ? B 13.363 5.696 -10.233 1.000 2 B 53.425 1 ATOM 2288 C CD1 . ILE 102 337 ? B 13.441 3.977 -7.640 1.000 2 B 53.425 1 ATOM 2289 N N . PRO 103 338 ? B 16.314 7.177 -12.013 1.000 2 B 46.577 1 ATOM 2290 C CA . PRO 103 338 ? B 16.276 8.392 -12.831 1.000 2 B 46.577 1 ATOM 2291 C C . PRO 103 338 ? B 15.134 9.329 -12.444 1.000 2 B 46.577 1 ATOM 2292 O O . PRO 103 338 ? B 14.004 8.878 -12.238 1.000 2 B 46.577 1 ATOM 2293 C CB . PRO 103 338 ? B 16.084 7.855 -14.252 1.000 2 B 46.577 1 ATOM 2294 C CG . PRO 103 338 ? B 16.292 6.379 -14.133 1.000 2 B 46.577 1 ATOM 2295 C CD . PRO 103 338 ? B 16.156 5.993 -12.689 1.000 2 B 46.577 1 ATOM 2296 N N . VAL 104 339 ? B 15.359 10.393 -11.651 1.000 2 B 46.644 1 ATOM 2297 C CA . VAL 104 339 ? B 14.546 11.520 -11.207 1.000 2 B 46.644 1 ATOM 2298 C C . VAL 104 339 ? B 13.559 11.910 -12.305 1.000 2 B 46.644 1 ATOM 2299 O O . VAL 104 339 ? B 12.472 12.417 -12.019 1.000 2 B 46.644 1 ATOM 2300 C CB . VAL 104 339 ? B 15.420 12.733 -10.819 1.000 2 B 46.644 1 ATOM 2301 C CG1 . VAL 104 339 ? B 14.755 13.546 -9.710 1.000 2 B 46.644 1 ATOM 2302 C CG2 . VAL 104 339 ? B 16.811 12.272 -10.387 1.000 2 B 46.644 1 ATOM 2303 N N . ALA 105 340 ? B 13.933 11.560 -13.639 1.000 2 B 49.898 1 ATOM 2304 C CA . ALA 105 340 ? B 12.979 11.913 -14.688 1.000 2 B 49.898 1 ATOM 2305 C C . ALA 105 340 ? B 11.744 11.019 -14.629 1.000 2 B 49.898 1 ATOM 2306 O O . ALA 105 340 ? B 10.678 11.389 -15.129 1.000 2 B 49.898 1 ATOM 2307 C CB . ALA 105 340 ? B 13.639 11.814 -16.062 1.000 2 B 49.898 1 ATOM 2308 N N . ARG 106 341 ? B 11.852 9.863 -13.940 1.000 2 B 49.664 1 ATOM 2309 C CA . ARG 106 341 ? B 10.728 9.075 -13.445 1.000 2 B 49.664 1 ATOM 2310 C C . ARG 106 341 ? B 10.203 9.637 -12.128 1.000 2 B 49.664 1 ATOM 2311 O O . ARG 106 341 ? B 9.031 9.452 -11.792 1.000 2 B 49.664 1 ATOM 2312 C CB . ARG 106 341 ? B 11.135 7.611 -13.265 1.000 2 B 49.664 1 ATOM 2313 C CG . ARG 106 341 ? B 11.081 6.795 -14.547 1.000 2 B 49.664 1 ATOM 2314 C CD . ARG 106 341 ? B 11.202 5.303 -14.271 1.000 2 B 49.664 1 ATOM 2315 N NE . ARG 106 341 ? B 12.569 4.828 -14.462 1.000 2 B 49.664 1 ATOM 2316 C CZ . ARG 106 341 ? B 13.140 3.856 -13.756 1.000 2 B 49.664 1 ATOM 2317 N NH1 . ARG 106 341 ? B 12.469 3.234 -12.793 1.000 2 B 49.664 1 ATOM 2318 N NH2 . ARG 106 341 ? B 14.390 3.503 -14.014 1.000 2 B 49.664 1 ATOM 2319 N N . ILE 107 342 ? B 10.916 10.570 -11.398 1.000 2 B 49.702 1 ATOM 2320 C CA . ILE 107 342 ? B 10.507 11.334 -10.225 1.000 2 B 49.702 1 ATOM 2321 C C . ILE 107 342 ? B 9.907 12.669 -10.662 1.000 2 B 49.702 1 ATOM 2322 O O . ILE 107 342 ? B 8.924 13.135 -10.082 1.000 2 B 49.702 1 ATOM 2323 C CB . ILE 107 342 ? B 11.691 11.568 -9.261 1.000 2 B 49.702 1 ATOM 2324 C CG1 . ILE 107 342 ? B 12.334 10.233 -8.870 1.000 2 B 49.702 1 ATOM 2325 C CG2 . ILE 107 342 ? B 11.233 12.340 -8.020 1.000 2 B 49.702 1 ATOM 2326 C CD1 . ILE 107 342 ? B 13.598 10.375 -8.033 1.000 2 B 49.702 1 ATOM 2327 N N . LEU 108 343 ? B 10.333 13.261 -11.890 1.000 2 B 54.090 1 ATOM 2328 C CA . LEU 108 343 ? B 9.746 14.571 -12.144 1.000 2 B 54.090 1 ATOM 2329 C C . LEU 108 343 ? B 9.148 14.637 -13.546 1.000 2 B 54.090 1 ATOM 2330 O O . LEU 108 343 ? B 9.095 15.709 -14.153 1.000 2 B 54.090 1 ATOM 2331 C CB . LEU 108 343 ? B 10.796 15.672 -11.972 1.000 2 B 54.090 1 ATOM 2332 C CG . LEU 108 343 ? B 10.333 16.947 -11.266 1.000 2 B 54.090 1 ATOM 2333 C CD1 . LEU 108 343 ? B 10.367 16.757 -9.753 1.000 2 B 54.090 1 ATOM 2334 C CD2 . LEU 108 343 ? B 11.197 18.133 -11.681 1.000 2 B 54.090 1 ATOM 2335 N N . GLY 109 344 ? B 8.845 13.600 -14.309 1.000 2 B 43.218 1 ATOM 2336 C CA . GLY 109 344 ? B 8.305 13.834 -15.639 1.000 2 B 43.218 1 ATOM 2337 C C . GLY 109 344 ? B 6.886 13.324 -15.804 1.000 2 B 43.218 1 ATOM 2338 O O . GLY 109 344 ? B 6.566 12.214 -15.374 1.000 2 B 43.218 1 ATOM 2339 N N . ASP 110 345 ? B 5.897 13.992 -15.304 1.000 2 B 45.600 1 ATOM 2340 C CA . ASP 110 345 ? B 4.456 14.100 -15.510 1.000 2 B 45.600 1 ATOM 2341 C C . ASP 110 345 ? B 3.721 12.919 -14.881 1.000 2 B 45.600 1 ATOM 2342 O O . ASP 110 345 ? B 4.042 11.762 -15.159 1.000 2 B 45.600 1 ATOM 2343 C CB . ASP 110 345 ? B 4.132 14.186 -17.003 1.000 2 B 45.600 1 ATOM 2344 C CG . ASP 110 345 ? B 4.023 15.615 -17.505 1.000 2 B 45.600 1 ATOM 2345 O OD1 . ASP 110 345 ? B 3.959 16.549 -16.677 1.000 2 B 45.600 1 ATOM 2346 O OD2 . ASP 110 345 ? B 3.998 15.809 -18.740 1.000 2 B 45.600 1 ATOM 2347 N N . PRO 111 346 ? B 3.401 12.985 -13.583 1.000 2 B 53.042 1 ATOM 2348 C CA . PRO 111 346 ? B 2.639 11.942 -12.892 1.000 2 B 53.042 1 ATOM 2349 C C . PRO 111 346 ? B 1.598 11.278 -13.790 1.000 2 B 53.042 1 ATOM 2350 O O . PRO 111 346 ? B 0.762 11.964 -14.383 1.000 2 B 53.042 1 ATOM 2351 C CB . PRO 111 346 ? B 1.967 12.699 -11.744 1.000 2 B 53.042 1 ATOM 2352 C CG . PRO 111 346 ? B 2.242 14.141 -12.023 1.000 2 B 53.042 1 ATOM 2353 C CD . PRO 111 346 ? B 3.207 14.228 -13.171 1.000 2 B 53.042 1 ATOM 2354 N N . GLU 112 347 ? B 2.005 10.788 -14.938 1.000 2 B 53.119 1 ATOM 2355 C CA . GLU 112 347 ? B 0.841 10.096 -15.483 1.000 2 B 53.119 1 ATOM 2356 C C . GLU 112 347 ? B 0.244 9.131 -14.462 1.000 2 B 53.119 1 ATOM 2357 O O . GLU 112 347 ? B 0.946 8.264 -13.935 1.000 2 B 53.119 1 ATOM 2358 C CB . GLU 112 347 ? B 1.213 9.343 -16.763 1.000 2 B 53.119 1 ATOM 2359 C CG . GLU 112 347 ? B 0.499 8.009 -16.922 1.000 2 B 53.119 1 ATOM 2360 C CD . GLU 112 347 ? B 1.208 7.058 -17.873 1.000 2 B 53.119 1 ATOM 2361 O OE1 . GLU 112 347 ? B 0.705 5.933 -18.093 1.000 2 B 53.119 1 ATOM 2362 O OE2 . GLU 112 347 ? B 2.275 7.441 -18.402 1.000 2 B 53.119 1 ATOM 2363 N N . GLU 113 348 ? B -0.180 9.619 -13.288 1.000 2 B 51.758 1 ATOM 2364 C CA . GLU 113 348 ? B -1.027 9.097 -12.220 1.000 2 B 51.758 1 ATOM 2365 C C . GLU 113 348 ? B -1.553 7.706 -12.562 1.000 2 B 51.758 1 ATOM 2366 O O . GLU 113 348 ? B -2.531 7.570 -13.300 1.000 2 B 51.758 1 ATOM 2367 C CB . GLU 113 348 ? B -2.195 10.048 -11.947 1.000 2 B 51.758 1 ATOM 2368 C CG . GLU 113 348 ? B -1.765 11.455 -11.558 1.000 2 B 51.758 1 ATOM 2369 C CD . GLU 113 348 ? B -2.889 12.280 -10.952 1.000 2 B 51.758 1 ATOM 2370 O OE1 . GLU 113 348 ? B -2.602 13.212 -10.167 1.000 2 B 51.758 1 ATOM 2371 O OE2 . GLU 113 348 ? B -4.066 11.991 -11.263 1.000 2 B 51.758 1 ATOM 2372 N N . GLU 114 349 ? B -0.644 6.807 -13.018 1.000 2 B 57.257 1 ATOM 2373 C CA . GLU 114 349 ? B -1.375 5.547 -12.929 1.000 2 B 57.257 1 ATOM 2374 C C . GLU 114 349 ? B -1.540 5.105 -11.478 1.000 2 B 57.257 1 ATOM 2375 O O . GLU 114 349 ? B -0.553 4.854 -10.784 1.000 2 B 57.257 1 ATOM 2376 C CB . GLU 114 349 ? B -0.665 4.455 -13.734 1.000 2 B 57.257 1 ATOM 2377 C CG . GLU 114 349 ? B -1.095 4.387 -15.192 1.000 2 B 57.257 1 ATOM 2378 C CD . GLU 114 349 ? B -0.324 5.341 -16.090 1.000 2 B 57.257 1 ATOM 2379 O OE1 . GLU 114 349 ? B -0.877 5.782 -17.124 1.000 2 B 57.257 1 ATOM 2380 O OE2 . GLU 114 349 ? B 0.842 5.649 -15.759 1.000 2 B 57.257 1 ATOM 2381 N N . SER 115 350 ? B -2.058 5.996 -10.624 1.000 2 B 52.095 1 ATOM 2382 C CA . SER 115 350 ? B -2.630 5.736 -9.307 1.000 2 B 52.095 1 ATOM 2383 C C . SER 115 350 ? B -2.709 4.240 -9.024 1.000 2 B 52.095 1 ATOM 2384 O O . SER 115 350 ? B -3.218 3.474 -9.845 1.000 2 B 52.095 1 ATOM 2385 C CB . SER 115 350 ? B -4.021 6.359 -9.194 1.000 2 B 52.095 1 ATOM 2386 O OG . SER 115 350 ? B -3.962 7.761 -9.393 1.000 2 B 52.095 1 ATOM 2387 N N . TRP 116 351 ? B -1.639 3.589 -8.938 1.000 2 B 43.130 1 ATOM 2388 C CA . TRP 116 351 ? B -1.628 2.234 -8.396 1.000 2 B 43.130 1 ATOM 2389 C C . TRP 116 351 ? B -2.912 1.945 -7.626 1.000 2 B 43.130 1 ATOM 2390 O O . TRP 116 351 ? B -3.277 2.690 -6.713 1.000 2 B 43.130 1 ATOM 2391 C CB . TRP 116 351 ? B -0.414 2.030 -7.485 1.000 2 B 43.130 1 ATOM 2392 C CG . TRP 116 351 ? B 0.709 1.271 -8.127 1.000 2 B 43.130 1 ATOM 2393 C CD1 . TRP 116 351 ? B 1.539 1.712 -9.120 1.000 2 B 43.130 1 ATOM 2394 C CD2 . TRP 116 351 ? B 1.121 -0.064 -7.822 1.000 2 B 43.130 1 ATOM 2395 N NE1 . TRP 116 351 ? B 2.443 0.729 -9.451 1.000 2 B 43.130 1 ATOM 2396 C CE2 . TRP 116 351 ? B 2.209 -0.370 -8.669 1.000 2 B 43.130 1 ATOM 2397 C CE3 . TRP 116 351 ? B 0.676 -1.033 -6.912 1.000 2 B 43.130 1 ATOM 2398 C CZ2 . TRP 116 351 ? B 2.859 -1.606 -8.634 1.000 2 B 43.130 1 ATOM 2399 C CZ3 . TRP 116 351 ? B 1.324 -2.263 -6.879 1.000 2 B 43.130 1 ATOM 2400 C CH2 . TRP 116 351 ? B 2.404 -2.536 -7.735 1.000 2 B 43.130 1 ATOM 2401 N N . SER 117 352 ? B -4.034 1.497 -8.202 1.000 2 B 46.032 1 ATOM 2402 C CA . SER 117 352 ? B -5.223 0.999 -7.518 1.000 2 B 46.032 1 ATOM 2403 C C . SER 117 352 ? B -5.137 -0.506 -7.286 1.000 2 B 46.032 1 ATOM 2404 O O . SER 117 352 ? B -4.755 -1.257 -8.185 1.000 2 B 46.032 1 ATOM 2405 C CB . SER 117 352 ? B -6.481 1.328 -8.323 1.000 2 B 46.032 1 ATOM 2406 O OG . SER 117 352 ? B -6.165 1.538 -9.688 1.000 2 B 46.032 1 ATOM 2407 N N . PRO 118 353 ? B -4.838 -0.881 -6.153 1.000 2 B 47.832 1 ATOM 2408 C CA . PRO 118 353 ? B -4.957 -2.330 -5.976 1.000 2 B 47.832 1 ATOM 2409 C C . PRO 118 353 ? B -6.231 -2.897 -6.598 1.000 2 B 47.832 1 ATOM 2410 O O . PRO 118 353 ? B -7.244 -2.198 -6.685 1.000 2 B 47.832 1 ATOM 2411 C CB . PRO 118 353 ? B -4.971 -2.499 -4.454 1.000 2 B 47.832 1 ATOM 2412 C CG . PRO 118 353 ? B -5.318 -1.146 -3.923 1.000 2 B 47.832 1 ATOM 2413 C CD . PRO 118 353 ? B -5.065 -0.130 -5.000 1.000 2 B 47.832 1 ATOM 2414 N N . SER 119 354 ? B -6.016 -3.746 -7.563 1.000 2 B 53.011 1 ATOM 2415 C CA . SER 119 354 ? B -7.160 -4.425 -8.163 1.000 2 B 53.011 1 ATOM 2416 C C . SER 119 354 ? B -8.032 -5.085 -7.100 1.000 2 B 53.011 1 ATOM 2417 O O . SER 119 354 ? B -7.519 -5.722 -6.177 1.000 2 B 53.011 1 ATOM 2418 C CB . SER 119 354 ? B -6.692 -5.474 -9.173 1.000 2 B 53.011 1 ATOM 2419 O OG . SER 119 354 ? B -6.408 -6.703 -8.527 1.000 2 B 53.011 1 ATOM 2420 N N . LEU 120 355 ? B -9.182 -4.507 -6.686 1.000 2 B 55.683 1 ATOM 2421 C CA . LEU 120 355 ? B -10.202 -5.035 -5.787 1.000 2 B 55.683 1 ATOM 2422 C C . LEU 120 355 ? B -10.577 -6.463 -6.170 1.000 2 B 55.683 1 ATOM 2423 O O . LEU 120 355 ? B -11.150 -7.197 -5.362 1.000 2 B 55.683 1 ATOM 2424 C CB . LEU 120 355 ? B -11.447 -4.145 -5.807 1.000 2 B 55.683 1 ATOM 2425 C CG . LEU 120 355 ? B -12.061 -3.807 -4.447 1.000 2 B 55.683 1 ATOM 2426 C CD1 . LEU 120 355 ? B -11.480 -2.502 -3.913 1.000 2 B 55.683 1 ATOM 2427 C CD2 . LEU 120 355 ? B -13.579 -3.719 -4.552 1.000 2 B 55.683 1 ATOM 2428 N N . THR 121 356 ? B -10.264 -6.834 -7.472 1.000 2 B 55.816 1 ATOM 2429 C CA . THR 121 356 ? B -10.707 -8.145 -7.933 1.000 2 B 55.816 1 ATOM 2430 C C . THR 121 356 ? B -9.855 -9.251 -7.318 1.000 2 B 55.816 1 ATOM 2431 O O . THR 121 356 ? B -10.340 -10.361 -7.088 1.000 2 B 55.816 1 ATOM 2432 C CB . THR 121 356 ? B -10.654 -8.245 -9.468 1.000 2 B 55.816 1 ATOM 2433 O OG1 . THR 121 356 ? B -9.452 -7.623 -9.940 1.000 2 B 55.816 1 ATOM 2434 C CG2 . THR 121 356 ? B -11.854 -7.555 -10.107 1.000 2 B 55.816 1 ATOM 2435 N N . ASN 122 357 ? B -8.654 -8.856 -6.843 1.000 2 B 49.799 1 ATOM 2436 C CA . ASN 122 357 ? B -7.754 -9.865 -6.295 1.000 2 B 49.799 1 ATOM 2437 C C . ASN 122 357 ? B -7.808 -9.896 -4.770 1.000 2 B 49.799 1 ATOM 2438 O O . ASN 122 357 ? B -7.139 -10.715 -4.137 1.000 2 B 49.799 1 ATOM 2439 C CB . ASN 122 357 ? B -6.320 -9.621 -6.770 1.000 2 B 49.799 1 ATOM 2440 C CG . ASN 122 357 ? B -6.134 -9.924 -8.244 1.000 2 B 49.799 1 ATOM 2441 O OD1 . ASN 122 357 ? B -6.540 -10.983 -8.729 1.000 2 B 49.799 1 ATOM 2442 N ND2 . ASN 122 357 ? B -5.520 -8.995 -8.967 1.000 2 B 49.799 1 ATOM 2443 N N . LEU 123 358 ? B -8.645 -8.876 -4.163 1.000 2 B 51.147 1 ATOM 2444 C CA . LEU 123 358 ? B -8.673 -8.786 -2.707 1.000 2 B 51.147 1 ATOM 2445 C C . LEU 123 358 ? B -9.451 -9.951 -2.105 1.000 2 B 51.147 1 ATOM 2446 O O . LEU 123 358 ? B -9.297 -10.260 -0.921 1.000 2 B 51.147 1 ATOM 2447 C CB . LEU 123 358 ? B -9.295 -7.459 -2.264 1.000 2 B 51.147 1 ATOM 2448 C CG . LEU 123 358 ? B -8.471 -6.200 -2.536 1.000 2 B 51.147 1 ATOM 2449 C CD1 . LEU 123 358 ? B -9.290 -4.952 -2.222 1.000 2 B 51.147 1 ATOM 2450 C CD2 . LEU 123 358 ? B -7.182 -6.218 -1.721 1.000 2 B 51.147 1 ATOM 2451 N N . GLU 124 359 ? B -10.354 -10.531 -3.045 1.000 2 B 56.082 1 ATOM 2452 C CA . GLU 124 359 ? B -11.159 -11.626 -2.513 1.000 2 B 56.082 1 ATOM 2453 C C . GLU 124 359 ? B -10.288 -12.821 -2.140 1.000 2 B 56.082 1 ATOM 2454 O O . GLU 124 359 ? B -10.663 -13.628 -1.287 1.000 2 B 56.082 1 ATOM 2455 C CB . GLU 124 359 ? B -12.228 -12.049 -3.524 1.000 2 B 56.082 1 ATOM 2456 C CG . GLU 124 359 ? B -13.115 -10.906 -3.996 1.000 2 B 56.082 1 ATOM 2457 C CD . GLU 124 359 ? B -14.168 -11.340 -5.003 1.000 2 B 56.082 1 ATOM 2458 O OE1 . GLU 124 359 ? B -14.974 -10.489 -5.443 1.000 2 B 56.082 1 ATOM 2459 O OE2 . GLU 124 359 ? B -14.188 -12.541 -5.354 1.000 2 B 56.082 1 ATOM 2460 N N . LYS 125 360 ? B -9.019 -12.735 -2.619 1.000 2 B 55.463 1 ATOM 2461 C CA . LYS 125 360 ? B -8.229 -13.935 -2.360 1.000 2 B 55.463 1 ATOM 2462 C C . LYS 125 360 ? B -7.221 -13.700 -1.239 1.000 2 B 55.463 1 ATOM 2463 O O . LYS 125 360 ? B -6.458 -14.600 -0.884 1.000 2 B 55.463 1 ATOM 2464 C CB . LYS 125 360 ? B -7.504 -14.385 -3.630 1.000 2 B 55.463 1 ATOM 2465 C CG . LYS 125 360 ? B -8.435 -14.816 -4.754 1.000 2 B 55.463 1 ATOM 2466 C CD . LYS 125 360 ? B -7.656 -15.294 -5.973 1.000 2 B 55.463 1 ATOM 2467 C CE . LYS 125 360 ? B -8.584 -15.657 -7.124 1.000 2 B 55.463 1 ATOM 2468 N NZ . LYS 125 360 ? B -7.823 -16.071 -8.340 1.000 2 B 55.463 1 ATOM 2469 N N . VAL 126 361 ? B -7.277 -12.354 -0.756 1.000 2 B 57.632 1 ATOM 2470 C CA . VAL 126 361 ? B -6.313 -12.031 0.291 1.000 2 B 57.632 1 ATOM 2471 C C . VAL 126 361 ? B -6.984 -12.127 1.659 1.000 2 B 57.632 1 ATOM 2472 O O . VAL 126 361 ? B -8.019 -11.499 1.895 1.000 2 B 57.632 1 ATOM 2473 C CB . VAL 126 361 ? B -5.709 -10.623 0.091 1.000 2 B 57.632 1 ATOM 2474 C CG1 . VAL 126 361 ? B -4.717 -10.297 1.207 1.000 2 B 57.632 1 ATOM 2475 C CG2 . VAL 126 361 ? B -5.032 -10.522 -1.275 1.000 2 B 57.632 1 ATOM 2476 N N . VAL 127 362 ? B -6.847 -13.235 2.296 1.000 2 B 59.812 1 ATOM 2477 C CA . VAL 127 362 ? B -7.378 -13.407 3.645 1.000 2 B 59.812 1 ATOM 2478 C C . VAL 127 362 ? B -6.355 -12.921 4.669 1.000 2 B 59.812 1 ATOM 2479 O O . VAL 127 362 ? B -5.227 -13.418 4.711 1.000 2 B 59.812 1 ATOM 2480 C CB . VAL 127 362 ? B -7.754 -14.879 3.923 1.000 2 B 59.812 1 ATOM 2481 C CG1 . VAL 127 362 ? B -8.323 -15.034 5.332 1.000 2 B 59.812 1 ATOM 2482 C CG2 . VAL 127 362 ? B -8.754 -15.380 2.882 1.000 2 B 59.812 1 ATOM 2483 N N . VAL 128 363 ? B -6.601 -11.793 5.227 1.000 2 B 63.846 1 ATOM 2484 C CA . VAL 128 363 ? B -5.786 -11.193 6.279 1.000 2 B 63.846 1 ATOM 2485 C C . VAL 128 363 ? B -6.015 -11.932 7.595 1.000 2 B 63.846 1 ATOM 2486 O O . VAL 128 363 ? B -7.151 -12.040 8.063 1.000 2 B 63.846 1 ATOM 2487 C CB . VAL 128 363 ? B -6.096 -9.689 6.450 1.000 2 B 63.846 1 ATOM 2488 C CG1 . VAL 128 363 ? B -5.248 -9.087 7.569 1.000 2 B 63.846 1 ATOM 2489 C CG2 . VAL 128 363 ? B -5.862 -8.944 5.137 1.000 2 B 63.846 1 ATOM 2490 N N . THR 129 364 ? B -5.109 -12.658 8.021 1.000 2 B 64.437 1 ATOM 2491 C CA . THR 129 364 ? B -5.242 -13.484 9.216 1.000 2 B 64.437 1 ATOM 2492 C C . THR 129 364 ? B -4.802 -12.713 10.458 1.000 2 B 64.437 1 ATOM 2493 O O . THR 129 364 ? B -5.257 -12.999 11.567 1.000 2 B 64.437 1 ATOM 2494 C CB . THR 129 364 ? B -4.418 -14.779 9.095 1.000 2 B 64.437 1 ATOM 2495 O OG1 . THR 129 364 ? B -3.064 -14.449 8.764 1.000 2 B 64.437 1 ATOM 2496 C CG2 . THR 129 364 ? B -4.986 -15.692 8.012 1.000 2 B 64.437 1 ATOM 2497 N N . ASP 130 365 ? B -4.162 -11.783 10.346 1.000 2 B 57.366 1 ATOM 2498 C CA . ASP 130 365 ? B -3.721 -11.144 11.582 1.000 2 B 57.366 1 ATOM 2499 C C . ASP 130 365 ? B -3.205 -9.732 11.316 1.000 2 B 57.366 1 ATOM 2500 O O . ASP 130 365 ? B -2.506 -9.496 10.329 1.000 2 B 57.366 1 ATOM 2501 C CB . ASP 130 365 ? B -2.635 -11.982 12.260 1.000 2 B 57.366 1 ATOM 2502 C CG . ASP 130 365 ? B -3.171 -13.264 12.873 1.000 2 B 57.366 1 ATOM 2503 O OD1 . ASP 130 365 ? B -4.258 -13.238 13.489 1.000 2 B 57.366 1 ATOM 2504 O OD2 . ASP 130 365 ? B -2.498 -14.310 12.740 1.000 2 B 57.366 1 ATOM 2505 N N . VAL 131 366 ? B -3.819 -8.848 12.012 1.000 2 B 60.124 1 ATOM 2506 C CA . VAL 131 366 ? B -3.324 -7.476 12.029 1.000 2 B 60.124 1 ATOM 2507 C C . VAL 131 366 ? B -2.578 -7.212 13.336 1.000 2 B 60.124 1 ATOM 2508 O O . VAL 131 366 ? B -3.075 -7.534 14.417 1.000 2 B 60.124 1 ATOM 2509 C CB . VAL 131 366 ? B -4.471 -6.456 11.855 1.000 2 B 60.124 1 ATOM 2510 C CG1 . VAL 131 366 ? B -3.929 -5.028 11.851 1.000 2 B 60.124 1 ATOM 2511 C CG2 . VAL 131 366 ? B -5.246 -6.741 10.569 1.000 2 B 60.124 1 ATOM 2512 N N . THR 132 367 ? B -1.201 -7.320 13.231 1.000 2 B 59.798 1 ATOM 2513 C CA . THR 132 367 ? B -0.491 -6.951 14.450 1.000 2 B 59.798 1 ATOM 2514 C C . THR 132 367 ? B -0.893 -5.553 14.910 1.000 2 B 59.798 1 ATOM 2515 O O . THR 132 367 ? B -1.496 -4.793 14.148 1.000 2 B 59.798 1 ATOM 2516 C CB . THR 132 367 ? B 1.035 -7.009 14.247 1.000 2 B 59.798 1 ATOM 2517 O OG1 . THR 132 367 ? B 1.404 -6.114 13.190 1.000 2 B 59.798 1 ATOM 2518 C CG2 . THR 132 367 ? B 1.489 -8.419 13.885 1.000 2 B 59.798 1 ATOM 2519 N N . SER 133 368 ? B -1.053 -5.435 16.234 1.000 2 B 63.207 1 ATOM 2520 C CA . SER 133 368 ? B -1.476 -4.303 17.052 1.000 2 B 63.207 1 ATOM 2521 C C . SER 133 368 ? B -0.919 -2.990 16.510 1.000 2 B 63.207 1 ATOM 2522 O O . SER 133 368 ? B -1.475 -1.921 16.767 1.000 2 B 63.207 1 ATOM 2523 C CB . SER 133 368 ? B -1.033 -4.494 18.503 1.000 2 B 63.207 1 ATOM 2524 O OG . SER 133 368 ? B -0.048 -3.538 18.858 1.000 2 B 63.207 1 ATOM 2525 N N . ASN 134 369 ? B 0.070 -3.019 15.599 1.000 2 B 57.132 1 ATOM 2526 C CA . ASN 134 369 ? B 0.546 -1.749 15.059 1.000 2 B 57.132 1 ATOM 2527 C C . ASN 134 369 ? B -0.098 -1.435 13.712 1.000 2 B 57.132 1 ATOM 2528 O O . ASN 134 369 ? B 0.302 -0.488 13.033 1.000 2 B 57.132 1 ATOM 2529 C CB . ASN 134 369 ? B 2.071 -1.760 14.929 1.000 2 B 57.132 1 ATOM 2530 C CG . ASN 134 369 ? B 2.771 -1.828 16.272 1.000 2 B 57.132 1 ATOM 2531 O OD1 . ASN 134 369 ? B 2.655 -0.915 17.093 1.000 2 B 57.132 1 ATOM 2532 N ND2 . ASN 134 369 ? B 3.503 -2.911 16.505 1.000 2 B 57.132 1 ATOM 2533 N N . PHE 135 370 ? B -1.273 -2.203 13.354 1.000 2 B 54.992 1 ATOM 2534 C CA . PHE 135 370 ? B -1.983 -1.997 12.096 1.000 2 B 54.992 1 ATOM 2535 C C . PHE 135 370 ? B -1.002 -1.846 10.940 1.000 2 B 54.992 1 ATOM 2536 O O . PHE 135 370 ? B -1.372 -1.378 9.862 1.000 2 B 54.992 1 ATOM 2537 C CB . PHE 135 370 ? B -2.886 -0.763 12.183 1.000 2 B 54.992 1 ATOM 2538 C CG . PHE 135 370 ? B -3.972 -0.877 13.218 1.000 2 B 54.992 1 ATOM 2539 C CD1 . PHE 135 370 ? B -5.152 -1.554 12.936 1.000 2 B 54.992 1 ATOM 2540 C CD2 . PHE 135 370 ? B -3.813 -0.306 14.474 1.000 2 B 54.992 1 ATOM 2541 C CE1 . PHE 135 370 ? B -6.159 -1.662 13.893 1.000 2 B 54.992 1 ATOM 2542 C CE2 . PHE 135 370 ? B -4.815 -0.409 15.435 1.000 2 B 54.992 1 ATOM 2543 C CZ . PHE 135 370 ? B -5.987 -1.086 15.142 1.000 2 B 54.992 1 ATOM 2544 N N . LEU 136 371 ? B 0.272 -2.145 11.345 1.000 2 B 58.562 1 ATOM 2545 C CA . LEU 136 371 ? B 1.283 -1.889 10.325 1.000 2 B 58.562 1 ATOM 2546 C C . LEU 136 371 ? B 1.617 -3.165 9.559 1.000 2 B 58.562 1 ATOM 2547 O O . LEU 136 371 ? B 1.961 -3.112 8.376 1.000 2 B 58.562 1 ATOM 2548 C CB . LEU 136 371 ? B 2.552 -1.315 10.960 1.000 2 B 58.562 1 ATOM 2549 C CG . LEU 136 371 ? B 2.441 0.096 11.540 1.000 2 B 58.562 1 ATOM 2550 C CD1 . LEU 136 371 ? B 3.608 0.376 12.482 1.000 2 B 58.562 1 ATOM 2551 C CD2 . LEU 136 371 ? B 2.389 1.132 10.422 1.000 2 B 58.562 1 ATOM 2552 N N . THR 137 372 ? B 1.240 -4.288 10.164 1.000 2 B 58.279 1 ATOM 2553 C CA . THR 137 372 ? B 1.631 -5.560 9.566 1.000 2 B 58.279 1 ATOM 2554 C C . THR 137 372 ? B 0.433 -6.500 9.465 1.000 2 B 58.279 1 ATOM 2555 O O . THR 137 372 ? B -0.309 -6.675 10.433 1.000 2 B 58.279 1 ATOM 2556 C CB . THR 137 372 ? B 2.752 -6.237 10.377 1.000 2 B 58.279 1 ATOM 2557 O OG1 . THR 137 372 ? B 3.653 -5.236 10.864 1.000 2 B 58.279 1 ATOM 2558 C CG2 . THR 137 372 ? B 3.529 -7.229 9.518 1.000 2 B 58.279 1 ATOM 2559 N N . VAL 138 373 ? B -0.002 -6.731 8.210 1.000 2 B 61.040 1 ATOM 2560 C CA . VAL 138 373 ? B -1.045 -7.725 7.978 1.000 2 B 61.040 1 ATOM 2561 C C . VAL 138 373 ? B -0.417 -9.028 7.490 1.000 2 B 61.040 1 ATOM 2562 O O . VAL 138 373 ? B 0.597 -9.012 6.788 1.000 2 B 61.040 1 ATOM 2563 C CB . VAL 138 373 ? B -2.090 -7.222 6.957 1.000 2 B 61.040 1 ATOM 2564 C CG1 . VAL 138 373 ? B -2.871 -6.037 7.523 1.000 2 B 61.040 1 ATOM 2565 C CG2 . VAL 138 373 ? B -1.411 -6.840 5.643 1.000 2 B 61.040 1 ATOM 2566 N N . THR 139 374 ? B -0.691 -10.065 8.204 1.000 2 B 61.548 1 ATOM 2567 C CA . THR 139 374 ? B -0.297 -11.400 7.768 1.000 2 B 61.548 1 ATOM 2568 C C . THR 139 374 ? B -1.375 -12.021 6.884 1.000 2 B 61.548 1 ATOM 2569 O O . THR 139 374 ? B -2.544 -12.081 7.272 1.000 2 B 61.548 1 ATOM 2570 C CB . THR 139 374 ? B -0.021 -12.322 8.970 1.000 2 B 61.548 1 ATOM 2571 O OG1 . THR 139 374 ? B 0.913 -11.684 9.849 1.000 2 B 61.548 1 ATOM 2572 C CG2 . THR 139 374 ? B 0.557 -13.659 8.517 1.000 2 B 61.548 1 ATOM 2573 N N . ILE 140 375 ? B -1.026 -12.206 5.654 1.000 2 B 59.327 1 ATOM 2574 C CA . ILE 140 375 ? B -1.943 -12.804 4.690 1.000 2 B 59.327 1 ATOM 2575 C C . ILE 140 375 ? B -1.672 -14.303 4.582 1.000 2 B 59.327 1 ATOM 2576 O O . ILE 140 375 ? B -0.526 -14.721 4.403 1.000 2 B 59.327 1 ATOM 2577 C CB . ILE 140 375 ? B -1.821 -12.135 3.303 1.000 2 B 59.327 1 ATOM 2578 C CG1 . ILE 140 375 ? B -1.989 -10.617 3.425 1.000 2 B 59.327 1 ATOM 2579 C CG2 . ILE 140 375 ? B -2.846 -12.723 2.328 1.000 2 B 59.327 1 ATOM 2580 C CD1 . ILE 140 375 ? B -1.578 -9.846 2.178 1.000 2 B 59.327 1 ATOM 2581 N N . LYS 141 376 ? B -2.572 -15.226 5.124 1.000 2 B 59.291 1 ATOM 2582 C CA . LYS 141 376 ? B -2.544 -16.686 5.163 1.000 2 B 59.291 1 ATOM 2583 C C . LYS 141 376 ? B -2.506 -17.273 3.755 1.000 2 B 59.291 1 ATOM 2584 O O . LYS 141 376 ? B -1.721 -18.182 3.476 1.000 2 B 59.291 1 ATOM 2585 C CB . LYS 141 376 ? B -3.756 -17.226 5.923 1.000 2 B 59.291 1 ATOM 2586 C CG . LYS 141 376 ? B -3.675 -18.711 6.243 1.000 2 B 59.291 1 ATOM 2587 C CD . LYS 141 376 ? B -4.852 -19.164 7.097 1.000 2 B 59.291 1 ATOM 2588 C CE . LYS 141 376 ? B -4.833 -20.670 7.324 1.000 2 B 59.291 1 ATOM 2589 N NZ . LYS 141 376 ? B -6.010 -21.125 8.123 1.000 2 B 59.291 1 ATOM 2590 N N . GLU 142 377 ? B -2.984 -16.590 2.722 1.000 2 B 56.646 1 ATOM 2591 C CA . GLU 142 377 ? B -3.031 -17.341 1.471 1.000 2 B 56.646 1 ATOM 2592 C C . GLU 142 377 ? B -3.597 -16.490 0.337 1.000 2 B 56.646 1 ATOM 2593 O O . GLU 142 377 ? B -4.655 -15.875 0.484 1.000 2 B 56.646 1 ATOM 2594 C CB . GLU 142 377 ? B -3.864 -18.614 1.638 1.000 2 B 56.646 1 ATOM 2595 C CG . GLU 142 377 ? B -5.325 -18.354 1.975 1.000 2 B 56.646 1 ATOM 2596 C CD . GLU 142 377 ? B -6.107 -19.623 2.275 1.000 2 B 56.646 1 ATOM 2597 O OE1 . GLU 142 377 ? B -7.303 -19.529 2.632 1.000 2 B 56.646 1 ATOM 2598 O OE2 . GLU 142 377 ? B -5.518 -20.720 2.153 1.000 2 B 56.646 1 ATOM 2599 N N . SER 143 378 ? B -2.815 -15.718 -0.367 1.000 2 B 49.025 1 ATOM 2600 C CA . SER 143 378 ? B -3.243 -15.077 -1.606 1.000 2 B 49.025 1 ATOM 2601 C C . SER 143 378 ? B -3.157 -16.041 -2.785 1.000 2 B 49.025 1 ATOM 2602 O O . SER 143 378 ? B -2.231 -16.850 -2.866 1.000 2 B 49.025 1 ATOM 2603 C CB . SER 143 378 ? B -2.395 -13.836 -1.889 1.000 2 B 49.025 1 ATOM 2604 O OG . SER 143 378 ? B -1.137 -14.200 -2.432 1.000 2 B 49.025 1 ATOM 2605 N N . ASN 144 379 ? B -4.242 -16.787 -3.131 1.000 2 B 53.714 1 ATOM 2606 C CA . ASN 144 379 ? B -4.270 -17.612 -4.334 1.000 2 B 53.714 1 ATOM 2607 C C . ASN 144 379 ? B -4.082 -16.772 -5.594 1.000 2 B 53.714 1 ATOM 2608 O O . ASN 144 379 ? B -4.681 -17.059 -6.632 1.000 2 B 53.714 1 ATOM 2609 C CB . ASN 144 379 ? B -5.578 -18.402 -4.413 1.000 2 B 53.714 1 ATOM 2610 C CG . ASN 144 379 ? B -6.760 -17.536 -4.803 1.000 2 B 53.714 1 ATOM 2611 O OD1 . ASN 144 379 ? B -6.673 -16.306 -4.798 1.000 2 B 53.714 1 ATOM 2612 N ND2 . ASN 144 379 ? B -7.874 -18.173 -5.144 1.000 2 B 53.714 1 ATOM 2613 N N . THR 145 380 ? B -3.210 -15.690 -5.535 1.000 2 B 52.249 1 ATOM 2614 C CA . THR 145 380 ? B -3.123 -15.101 -6.867 1.000 2 B 52.249 1 ATOM 2615 C C . THR 145 380 ? B -1.970 -15.715 -7.656 1.000 2 B 52.249 1 ATOM 2616 O O . THR 145 380 ? B -0.855 -15.834 -7.144 1.000 2 B 52.249 1 ATOM 2617 C CB . THR 145 380 ? B -2.941 -13.574 -6.792 1.000 2 B 52.249 1 ATOM 2618 O OG1 . THR 145 380 ? B -1.797 -13.274 -5.983 1.000 2 B 52.249 1 ATOM 2619 C CG2 . THR 145 380 ? B -4.168 -12.903 -6.185 1.000 2 B 52.249 1 ATOM 2620 N N . ASP 146 381 ? B -1.965 -17.027 -7.886 1.000 2 B 52.671 1 ATOM 2621 C CA . ASP 146 381 ? B -1.044 -17.583 -8.873 1.000 2 B 52.671 1 ATOM 2622 C C . ASP 146 381 ? B -0.567 -16.506 -9.845 1.000 2 B 52.671 1 ATOM 2623 O O . ASP 146 381 ? B 0.386 -16.721 -10.598 1.000 2 B 52.671 1 ATOM 2624 C CB . ASP 146 381 ? B -1.707 -18.728 -9.641 1.000 2 B 52.671 1 ATOM 2625 C CG . ASP 146 381 ? B -0.821 -19.956 -9.755 1.000 2 B 52.671 1 ATOM 2626 O OD1 . ASP 146 381 ? B 0.352 -19.904 -9.328 1.000 2 B 52.671 1 ATOM 2627 O OD2 . ASP 146 381 ? B -1.300 -20.985 -10.280 1.000 2 B 52.671 1 ATOM 2628 N N . GLN 147 382 ? B -1.049 -15.294 -9.647 1.000 2 B 48.092 1 ATOM 2629 C CA . GLN 147 382 ? B -0.554 -14.215 -10.495 1.000 2 B 48.092 1 ATOM 2630 C C . GLN 147 382 ? B 0.108 -13.121 -9.663 1.000 2 B 48.092 1 ATOM 2631 O O . GLN 147 382 ? B -0.509 -12.571 -8.748 1.000 2 B 48.092 1 ATOM 2632 C CB . GLN 147 382 ? B -1.690 -13.624 -11.332 1.000 2 B 48.092 1 ATOM 2633 C CG . GLN 147 382 ? B -2.107 -14.498 -12.507 1.000 2 B 48.092 1 ATOM 2634 C CD . GLN 147 382 ? B -2.426 -13.692 -13.753 1.000 2 B 48.092 1 ATOM 2635 O OE1 . GLN 147 382 ? B -2.509 -12.461 -13.707 1.000 2 B 48.092 1 ATOM 2636 N NE2 . GLN 147 382 ? B -2.609 -14.382 -14.874 1.000 2 B 48.092 1 ATOM 2637 N N . GLY 148 383 ? B 0.909 -13.553 -8.628 1.000 2 B 44.779 1 ATOM 2638 C CA . GLY 148 383 ? B 1.883 -12.681 -7.992 1.000 2 B 44.779 1 ATOM 2639 C C . GLY 148 383 ? B 1.416 -11.241 -7.888 1.000 2 B 44.779 1 ATOM 2640 O O . GLY 148 383 ? B 0.661 -10.765 -8.738 1.000 2 B 44.779 1 ATOM 2641 N N . PHE 149 384 ? B 0.701 -10.878 -6.794 1.000 2 B 49.726 1 ATOM 2642 C CA . PHE 149 384 ? B 0.443 -9.518 -6.336 1.000 2 B 49.726 1 ATOM 2643 C C . PHE 149 384 ? B 1.362 -8.526 -7.040 1.000 2 B 49.726 1 ATOM 2644 O O . PHE 149 384 ? B 0.966 -7.390 -7.312 1.000 2 B 49.726 1 ATOM 2645 C CB . PHE 149 384 ? B 0.625 -9.416 -4.819 1.000 2 B 49.726 1 ATOM 2646 C CG . PHE 149 384 ? B -0.529 -8.758 -4.112 1.000 2 B 49.726 1 ATOM 2647 C CD1 . PHE 149 384 ? B -0.512 -7.394 -3.845 1.000 2 B 49.726 1 ATOM 2648 C CD2 . PHE 149 384 ? B -1.630 -9.504 -3.713 1.000 2 B 49.726 1 ATOM 2649 C CE1 . PHE 149 384 ? B -1.579 -6.783 -3.190 1.000 2 B 49.726 1 ATOM 2650 C CE2 . PHE 149 384 ? B -2.700 -8.900 -3.059 1.000 2 B 49.726 1 ATOM 2651 C CZ . PHE 149 384 ? B -2.672 -7.539 -2.798 1.000 2 B 49.726 1 ATOM 2652 N N . PHE 150 385 ? B 2.447 -9.014 -7.784 1.000 2 B 52.861 1 ATOM 2653 C CA . PHE 150 385 ? B 3.405 -8.043 -8.301 1.000 2 B 52.861 1 ATOM 2654 C C . PHE 150 385 ? B 3.643 -8.258 -9.791 1.000 2 B 52.861 1 ATOM 2655 O O . PHE 150 385 ? B 4.491 -7.594 -10.391 1.000 2 B 52.861 1 ATOM 2656 C CB . PHE 150 385 ? B 4.730 -8.135 -7.539 1.000 2 B 52.861 1 ATOM 2657 C CG . PHE 150 385 ? B 4.642 -7.673 -6.109 1.000 2 B 52.861 1 ATOM 2658 C CD1 . PHE 150 385 ? B 4.644 -6.318 -5.801 1.000 2 B 52.861 1 ATOM 2659 C CD2 . PHE 150 385 ? B 4.557 -8.594 -5.073 1.000 2 B 52.861 1 ATOM 2660 C CE1 . PHE 150 385 ? B 4.563 -5.888 -4.478 1.000 2 B 52.861 1 ATOM 2661 C CE2 . PHE 150 385 ? B 4.475 -8.172 -3.750 1.000 2 B 52.861 1 ATOM 2662 C CZ . PHE 150 385 ? B 4.479 -6.818 -3.454 1.000 2 B 52.861 1 ATOM 2663 N N . LYS 151 386 ? B 2.711 -8.838 -10.612 1.000 2 B 44.204 1 ATOM 2664 C CA . LYS 151 386 ? B 3.150 -8.957 -11.999 1.000 2 B 44.204 1 ATOM 2665 C C . LYS 151 386 ? B 2.381 -7.998 -12.903 1.000 2 B 44.204 1 ATOM 2666 O O . LYS 151 386 ? B 2.576 -7.992 -14.120 1.000 2 B 44.204 1 ATOM 2667 C CB . LYS 151 386 ? B 2.981 -10.394 -12.495 1.000 2 B 44.204 1 ATOM 2668 C CG . LYS 151 386 ? B 4.065 -10.846 -13.462 1.000 2 B 44.204 1 ATOM 2669 C CD . LYS 151 386 ? B 3.897 -12.311 -13.845 1.000 2 B 44.204 1 ATOM 2670 C CE . LYS 151 386 ? B 4.911 -12.735 -14.899 1.000 2 B 44.204 1 ATOM 2671 N NZ . LYS 151 386 ? B 4.598 -14.084 -15.458 1.000 2 B 44.204 1 ATOM 2672 N N . GLU 152 387 ? B 2.172 -6.717 -12.620 1.000 2 B 43.768 1 ATOM 2673 C CA . GLU 152 387 ? B 1.865 -5.974 -13.839 1.000 2 B 43.768 1 ATOM 2674 C C . GLU 152 387 ? B 2.787 -4.768 -13.997 1.000 2 B 43.768 1 ATOM 2675 O O . GLU 152 387 ? B 2.692 -3.804 -13.234 1.000 2 B 43.768 1 ATOM 2676 C CB . GLU 152 387 ? B 0.402 -5.521 -13.839 1.000 2 B 43.768 1 ATOM 2677 C CG . GLU 152 387 ? B -0.110 -5.098 -15.208 1.000 2 B 43.768 1 ATOM 2678 C CD . GLU 152 387 ? B -1.613 -4.866 -15.240 1.000 2 B 43.768 1 ATOM 2679 O OE1 . GLU 152 387 ? B -2.180 -4.718 -16.347 1.000 2 B 43.768 1 ATOM 2680 O OE2 . GLU 152 387 ? B -2.227 -4.830 -14.151 1.000 2 B 43.768 1 ATOM 2681 N N . LYS 153 388 ? B 4.127 -5.006 -14.027 1.000 2 B 39.899 1 ATOM 2682 C CA . LYS 153 388 ? B 5.002 -4.026 -14.664 1.000 2 B 39.899 1 ATOM 2683 C C . LYS 153 388 ? B 5.436 -4.494 -16.050 1.000 2 B 39.899 1 ATOM 2684 O O . LYS 153 388 ? B 6.154 -5.488 -16.178 1.000 2 B 39.899 1 ATOM 2685 C CB . LYS 153 388 ? B 6.230 -3.757 -13.793 1.000 2 B 39.899 1 ATOM 2686 C CG . LYS 153 388 ? B 6.066 -2.586 -12.835 1.000 2 B 39.899 1 ATOM 2687 C CD . LYS 153 388 ? B 7.304 -1.698 -12.820 1.000 2 B 39.899 1 ATOM 2688 C CE . LYS 153 388 ? B 7.150 -0.540 -11.844 1.000 2 B 39.899 1 ATOM 2689 N NZ . LYS 153 388 ? B 8.360 0.336 -11.828 1.000 2 B 39.899 1 ATOM 2690 N N . ARG 154 389 ? B 4.577 -4.629 -16.969 1.000 2 B 39.142 1 ATOM 2691 C CA . ARG 154 389 ? B 5.049 -4.240 -18.294 1.000 2 B 39.142 1 ATOM 2692 C C . ARG 154 389 ? B 4.845 -2.747 -18.531 1.000 2 B 39.142 1 ATOM 2693 O O . ARG 154 389 ? B 3.826 -2.183 -18.128 1.000 2 B 39.142 1 ATOM 2694 C CB . ARG 154 389 ? B 4.332 -5.046 -19.379 1.000 2 B 39.142 1 ATOM 2695 C CG . ARG 154 389 ? B 4.944 -6.413 -19.637 1.000 2 B 39.142 1 ATOM 2696 C CD . ARG 154 389 ? B 4.411 -7.037 -20.919 1.000 2 B 39.142 1 ATOM 2697 N NE . ARG 154 389 ? B 4.097 -8.451 -20.741 1.000 2 B 39.142 1 ATOM 2698 C CZ . ARG 154 389 ? B 2.900 -8.994 -20.948 1.000 2 B 39.142 1 ATOM 2699 N NH1 . ARG 154 389 ? B 1.877 -8.247 -21.348 1.000 2 B 39.142 1 ATOM 2700 N NH2 . ARG 154 389 ? B 2.725 -10.293 -20.755 1.000 2 B 39.142 1 loop_ _atom_type.symbol C N O S loop_ _ma_entry_associated_files.id _ma_entry_associated_files.entry_id _ma_entry_associated_files.file_url _ma_entry_associated_files.file_type _ma_entry_associated_files.file_format _ma_entry_associated_files.file_content _ma_entry_associated_files.details 1 ma-t3vr3-846 https://modelarchive.org/api/projects/ma-t3vr3-846?type=materials_procedures__accompanying_data_file_name archive zip 'archive with multiple files' . loop_ _ma_associated_archive_file_details.id _ma_associated_archive_file_details.archive_file_id _ma_associated_archive_file_details.file_path _ma_associated_archive_file_details.file_format _ma_associated_archive_file_details.file_content _ma_associated_archive_file_details.description _ma_associated_archive_file_details.data_id 1 1 ma-t3vr3-846_predicted_aligned_error_v1.cif cif 'local pairwise QA scores' 'Predicted aligned error and contact probability' . 2 1 Q6W2J9-D8_Q9HC52-D3.i95.fas fasta 'multiple sequence alignments' 'Paired MSAs' 4 loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.description _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.type_other_details _ma_qa_metric.software_group_id 1 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT global . . 2 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT local . . 3 PAE 'Predicted aligned error (in Angstroms)' PAE local-pairwise . . 4 'contact probability' 'Contact probability of a pairwise interaction in [0,1]' 'contact probability' local-pairwise . . loop_ _ma_qa_metric_global.ordinal_id _ma_qa_metric_global.model_id _ma_qa_metric_global.metric_id _ma_qa_metric_global.metric_value 1 1 1 44.899 loop_ _ma_qa_metric_local.ordinal_id _ma_qa_metric_local.model_id _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value 1 1 A 1 ALA 2 35.896 2 1 A 2 SER 2 34.168 3 1 A 3 ASP 2 35.282 4 1 A 4 MET 2 36.385 5 1 A 5 PRO 2 46.430 6 1 A 6 HIS 2 37.405 7 1 A 7 SER 2 31.408 8 1 A 8 PRO 2 39.097 9 1 A 9 THR 2 32.794 10 1 A 10 LEU 2 34.231 11 1 A 11 ARG 2 33.640 12 1 A 12 VAL 2 31.386 13 1 A 13 ASP 2 29.672 14 1 A 14 ARG 2 31.343 15 1 A 15 LYS 2 38.339 16 1 A 16 ARG 2 35.454 17 1 A 17 LYS 2 48.822 18 1 A 18 VAL 2 33.220 19 1 A 19 SER 2 38.658 20 1 A 20 GLY 2 32.755 21 1 A 21 ASP 2 29.703 22 1 A 22 SER 2 42.566 23 1 A 23 SER 2 30.130 24 1 A 24 HIS 2 34.410 25 1 A 25 THR 2 38.094 26 1 A 26 GLU 2 31.360 27 1 A 27 THR 2 54.678 28 1 A 28 THR 2 35.249 29 1 A 29 ALA 2 45.026 30 1 A 30 GLU 2 34.380 31 1 A 31 GLU 2 38.303 32 1 A 32 VAL 2 38.504 33 1 A 33 PRO 2 45.026 34 1 A 34 GLU 2 39.044 35 1 A 35 ASP 2 44.178 36 1 A 36 PRO 2 46.624 37 1 A 37 LEU 2 41.144 38 1 A 38 LEU 2 46.187 39 1 A 39 LYS 2 41.986 40 1 A 40 ALA 2 53.081 41 1 A 41 LYS 2 38.421 42 1 A 42 ARG 2 50.020 43 1 A 43 ARG 2 44.222 44 1 A 44 ARG 2 49.125 45 1 A 45 VAL 2 46.898 46 1 A 46 SER 2 47.391 47 1 A 47 LYS 2 49.098 48 1 A 48 ASP 2 46.429 49 1 A 49 ASP 2 46.692 50 1 A 50 TRP 2 38.383 51 1 A 51 PRO 2 45.113 52 1 A 52 GLU 2 52.419 53 1 A 53 ARG 2 51.359 54 1 A 54 GLU 2 52.494 55 1 A 55 MET 2 51.586 56 1 A 56 THR 2 48.628 57 1 A 57 ASN 2 45.233 58 1 A 58 SER 2 35.424 59 1 A 59 SER 2 46.935 60 1 A 60 SER 2 45.631 61 1 A 61 ASN 2 39.027 62 1 A 62 HIS 2 45.009 63 1 A 63 LEU 2 47.132 64 1 A 64 GLU 2 46.297 65 1 A 65 ASP 2 44.891 66 1 A 66 PRO 2 55.329 67 1 A 67 HIS 2 48.883 68 1 A 68 TYR 2 46.360 69 1 A 69 SER 2 53.800 70 1 A 70 GLU 2 49.554 71 1 A 71 LEU 2 48.738 72 1 A 72 THR 2 58.704 73 1 A 73 ASN 2 51.402 74 1 A 74 LEU 2 47.431 75 1 A 75 LYS 2 62.023 76 1 A 76 VAL 2 60.663 77 1 A 77 CYS 2 48.919 78 1 A 78 ILE 2 58.838 79 1 A 79 GLU 2 61.993 80 1 A 80 LEU 2 53.723 81 1 A 81 THR 2 49.494 82 1 A 82 GLY 2 50.634 83 1 A 83 LEU 2 49.089 84 1 A 84 HIS 2 51.318 85 1 A 85 PRO 2 51.295 86 1 A 86 LYS 2 58.957 87 1 A 87 LYS 2 52.200 88 1 A 88 GLN 2 56.662 89 1 A 89 ARG 2 66.061 90 1 A 90 HIS 2 69.578 91 1 A 91 LEU 2 69.899 92 1 A 92 LEU 2 74.673 93 1 A 93 HIS 2 79.521 94 1 A 94 LEU 2 79.591 95 1 A 95 ARG 2 82.946 96 1 A 96 GLU 2 81.075 97 1 A 97 ARG 2 81.152 98 1 A 98 TRP 2 81.286 99 1 A 99 GLU 2 83.435 100 1 A 100 GLN 2 78.127 101 1 A 101 GLN 2 76.497 102 1 A 102 VAL 2 69.792 103 1 A 103 SER 2 65.056 104 1 A 104 ALA 2 59.765 105 1 A 105 ALA 2 54.994 106 1 A 106 ASP 2 51.111 107 1 A 107 GLY 2 49.455 108 1 A 108 LYS 2 43.680 109 1 A 109 PRO 2 43.962 110 1 A 110 GLY 2 40.033 111 1 A 111 ARG 2 35.949 112 1 A 112 GLN 2 39.568 113 1 A 113 SER 2 34.793 114 1 A 114 ARG 2 34.630 115 1 A 115 LYS 2 37.732 116 1 A 116 GLU 2 33.181 117 1 A 117 VAL 2 37.157 118 1 A 118 THR 2 37.829 119 1 A 119 GLN 2 31.721 120 1 A 120 ALA 2 33.334 121 1 A 121 THR 2 34.827 122 1 A 122 GLN 2 26.115 123 1 A 123 PRO 2 44.248 124 1 A 124 GLU 2 30.156 125 1 A 125 ALA 2 44.979 126 1 A 126 ILE 2 38.428 127 1 A 127 PRO 2 46.155 128 1 A 128 GLN 2 37.354 129 1 A 129 GLY 2 40.192 130 1 A 130 THR 2 33.399 131 1 A 131 ASN 2 36.675 132 1 A 132 ILE 2 40.322 133 1 A 133 THR 2 44.564 134 1 A 134 GLU 2 38.202 135 1 A 135 GLU 2 43.111 136 1 A 136 LYS 2 40.640 137 1 A 137 PRO 2 47.432 138 1 A 138 GLY 2 33.599 139 1 A 139 ARG 2 39.401 140 1 A 140 LYS 2 47.607 141 1 A 141 ARG 2 36.932 142 1 A 142 ALA 2 43.645 143 1 A 143 GLU 2 41.775 144 1 A 144 ALA 2 40.214 145 1 A 145 LYS 2 47.099 146 1 A 146 GLY 2 46.882 147 1 A 147 ASN 2 43.649 148 1 A 148 ARG 2 59.370 149 1 A 149 SER 2 44.202 150 1 A 150 TRP 2 33.973 151 1 A 151 SER 2 37.403 152 1 A 152 GLU 2 44.792 153 1 A 153 GLU 2 40.729 154 1 A 154 SER 2 35.439 155 1 A 155 LEU 2 45.028 156 1 A 156 LYS 2 34.191 157 1 A 157 PRO 2 43.478 158 1 A 158 SER 2 39.237 159 1 A 159 ASP 2 36.422 160 1 A 160 ASN 2 38.342 161 1 A 161 GLU 2 39.764 162 1 A 162 GLN 2 40.774 163 1 A 163 GLY 2 38.459 164 1 A 164 LEU 2 33.969 165 1 A 165 PRO 2 45.995 166 1 A 166 VAL 2 35.938 167 1 A 167 PHE 2 37.297 168 1 A 168 SER 2 39.129 169 1 A 169 GLY 2 36.182 170 1 A 170 SER 2 33.253 171 1 A 171 PRO 2 47.304 172 1 A 172 PRO 2 39.516 173 1 A 173 MET 2 31.425 174 1 A 174 LYS 2 37.005 175 1 A 175 SER 2 31.088 176 1 A 176 LEU 2 36.255 177 1 A 177 SER 2 37.384 178 1 A 178 SER 2 30.347 179 1 A 179 THR 2 37.855 180 1 A 180 SER 2 33.504 181 1 A 181 ALA 2 39.089 182 1 A 182 GLY 2 36.869 183 1 A 183 GLY 2 39.362 184 1 A 184 LYS 2 35.817 185 1 A 185 LYS 2 43.821 186 1 A 186 GLN 2 37.617 187 1 A 187 ALA 2 41.665 188 1 A 188 GLN 2 36.231 189 1 A 189 PRO 2 43.887 190 1 A 190 SER 2 34.989 191 1 A 191 CYS 2 39.978 192 1 A 192 ALA 2 42.826 193 1 A 193 PRO 2 52.125 194 1 A 194 ALA 2 42.303 195 1 A 195 SER 2 38.799 196 1 A 196 ARG 2 46.134 197 1 A 197 PRO 2 47.364 198 1 A 198 PRO 2 47.728 199 1 A 199 ALA 2 42.943 200 1 A 200 LYS 2 33.453 201 1 B 1 SER 2 36.756 202 1 B 2 GLY 2 36.476 203 1 B 3 ALA 2 35.802 204 1 B 4 GLY 2 40.509 205 1 B 5 LYS 2 43.198 206 1 B 6 PHE 2 50.934 207 1 B 7 PRO 2 39.235 208 1 B 8 ALA 2 42.257 209 1 B 9 GLY 2 37.916 210 1 B 10 HIS 2 41.643 211 1 B 11 SER 2 42.563 212 1 B 12 VAL 2 45.610 213 1 B 13 ILE 2 44.121 214 1 B 14 GLN 2 40.859 215 1 B 15 LEU 2 44.005 216 1 B 16 ALA 2 49.026 217 1 B 17 ARG 2 42.907 218 1 B 18 ARG 2 46.159 219 1 B 19 GLN 2 40.550 220 1 B 20 ASP 2 37.465 221 1 B 21 SER 2 36.142 222 1 B 22 ASP 2 32.580 223 1 B 23 LEU 2 38.144 224 1 B 24 VAL 2 39.855 225 1 B 25 GLN 2 33.182 226 1 B 26 CYS 2 37.681 227 1 B 27 GLY 2 33.533 228 1 B 28 VAL 2 31.772 229 1 B 29 THR 2 39.878 230 1 B 30 SER 2 32.490 231 1 B 31 PRO 2 45.415 232 1 B 32 SER 2 39.340 233 1 B 33 SER 2 35.266 234 1 B 34 ALA 2 43.324 235 1 B 35 GLU 2 34.087 236 1 B 36 ALA 2 44.916 237 1 B 37 THR 2 33.588 238 1 B 38 GLY 2 38.467 239 1 B 39 LYS 2 39.535 240 1 B 40 LEU 2 42.088 241 1 B 41 ALA 2 39.963 242 1 B 42 VAL 2 42.954 243 1 B 43 ASP 2 43.129 244 1 B 44 THR 2 47.190 245 1 B 45 PHE 2 40.863 246 1 B 46 PRO 2 46.139 247 1 B 47 ALA 2 46.469 248 1 B 48 ARG 2 49.079 249 1 B 49 VAL 2 45.736 250 1 B 50 ILE 2 49.398 251 1 B 51 LYS 2 51.138 252 1 B 52 HIS 2 48.097 253 1 B 53 ARG 2 45.427 254 1 B 54 ALA 2 38.095 255 1 B 55 ALA 2 42.528 256 1 B 56 PHE 2 47.611 257 1 B 57 LEU 2 46.258 258 1 B 58 GLU 2 38.629 259 1 B 59 ALA 2 47.088 260 1 B 60 LYS 2 37.630 261 1 B 61 GLY 2 36.676 262 1 B 62 GLN 2 38.574 263 1 B 63 GLY 2 32.506 264 1 B 64 ALA 2 33.017 265 1 B 65 LEU 2 42.022 266 1 B 66 ASP 2 39.519 267 1 B 67 PRO 2 43.576 268 1 B 68 ASN 2 35.343 269 1 B 69 GLY 2 37.296 270 1 B 70 THR 2 41.400 271 1 B 71 ARG 2 33.040 272 1 B 72 VAL 2 41.998 273 1 B 73 ARG 2 34.795 274 1 B 74 HIS 2 39.744 275 1 B 75 GLY 2 32.055 276 1 B 76 SER 2 34.225 277 1 B 77 GLY 2 39.364 278 1 B 78 PRO 2 44.255 279 1 B 79 PRO 2 46.410 280 1 B 80 SER 2 42.278 281 1 B 81 SER 2 35.254 282 1 B 82 GLY 2 39.106 283 1 B 83 GLY 2 33.617 284 1 B 84 GLY 2 41.156 285 1 B 85 LEU 2 37.512 286 1 B 86 TYR 2 33.551 287 1 B 87 ARG 2 44.501 288 1 B 88 ASP 2 41.368 289 1 B 89 MET 2 43.114 290 1 B 90 GLY 2 42.485 291 1 B 91 ALA 2 47.841 292 1 B 92 GLN 2 40.840 293 1 B 93 GLY 2 45.353 294 1 B 94 GLY 2 44.311 295 1 B 95 ARG 2 39.241 296 1 B 96 PRO 2 50.775 297 1 B 97 SER 2 50.365 298 1 B 98 LEU 2 50.703 299 1 B 99 ILE 2 48.584 300 1 B 100 ALA 2 52.434 301 1 B 101 ARG 2 48.799 302 1 B 102 ILE 2 53.425 303 1 B 103 PRO 2 46.577 304 1 B 104 VAL 2 46.644 305 1 B 105 ALA 2 49.898 306 1 B 106 ARG 2 49.664 307 1 B 107 ILE 2 49.702 308 1 B 108 LEU 2 54.090 309 1 B 109 GLY 2 43.218 310 1 B 110 ASP 2 45.600 311 1 B 111 PRO 2 53.042 312 1 B 112 GLU 2 53.119 313 1 B 113 GLU 2 51.758 314 1 B 114 GLU 2 57.257 315 1 B 115 SER 2 52.095 316 1 B 116 TRP 2 43.130 317 1 B 117 SER 2 46.032 318 1 B 118 PRO 2 47.832 319 1 B 119 SER 2 53.011 320 1 B 120 LEU 2 55.683 321 1 B 121 THR 2 55.816 322 1 B 122 ASN 2 49.799 323 1 B 123 LEU 2 51.147 324 1 B 124 GLU 2 56.082 325 1 B 125 LYS 2 55.463 326 1 B 126 VAL 2 57.632 327 1 B 127 VAL 2 59.812 328 1 B 128 VAL 2 63.846 329 1 B 129 THR 2 64.437 330 1 B 130 ASP 2 57.366 331 1 B 131 VAL 2 60.124 332 1 B 132 THR 2 59.798 333 1 B 133 SER 2 63.207 334 1 B 134 ASN 2 57.132 335 1 B 135 PHE 2 54.992 336 1 B 136 LEU 2 58.562 337 1 B 137 THR 2 58.279 338 1 B 138 VAL 2 61.040 339 1 B 139 THR 2 61.548 340 1 B 140 ILE 2 59.327 341 1 B 141 LYS 2 59.291 342 1 B 142 GLU 2 56.646 343 1 B 143 SER 2 49.025 344 1 B 144 ASN 2 53.714 345 1 B 145 THR 2 52.249 346 1 B 146 ASP 2 52.671 347 1 B 147 GLN 2 48.092 348 1 B 148 GLY 2 44.779 349 1 B 149 PHE 2 49.726 350 1 B 150 PHE 2 52.861 351 1 B 151 LYS 2 44.204 352 1 B 152 GLU 2 43.768 353 1 B 153 LYS 2 39.899 354 1 B 154 ARG 2 39.142 _database_2.database_id ModelArchive _database_2.database_code ma-t3vr3-846 _database_2.pdbx_DOI 10.5452/ma-t3vr3-846 _pdbx_database_status.entry_id ma-t3vr3-846 _pdbx_database_status.date_coordinates 2022-09-28:22:27 _pdbx_database_status.status_code REL loop_ _pdbx_contact_author.id _pdbx_contact_author.name_salutation _pdbx_contact_author.name_first _pdbx_contact_author.name_last _pdbx_contact_author.name_mi _pdbx_contact_author.email _pdbx_contact_author.address_1 _pdbx_contact_author.address_2 _pdbx_contact_author.address_3 5 Prof. Qian Cong . Qian.Cong@UTSouthwestern.edu 'University of Texas Southwestern Medical Center' . . loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2022-12-21 2 'Structure model' 1 1 2023-07-19 3 'Structure model' 1 2 2023-07-25 loop_ _pdbx_audit_revision_details.ordinal _pdbx_audit_revision_details.revision_ordinal _pdbx_audit_revision_details.data_content_type _pdbx_audit_revision_details.provider _pdbx_audit_revision_details.type _pdbx_audit_revision_details.description 1 1 'Structure model' repository 'Initial release' ? 2 3 'Structure model' repository Remediation 'Format compliance remediation' loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' Other 2 3 'Structure model' Other 3 3 'Structure model' 'Version format compliance' loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' exptl 2 3 'Structure model' ma_data 3 3 'Structure model' ma_associated_archive_file_details 4 3 'Structure model' audit_conform loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 2 'Structure model' '_exptl.entry_id' 2 2 'Structure model' '_exptl.method' 3 3 'Structure model' '_ma_data.content_type' 4 3 'Structure model' '_ma_data.content_type_other_details' 5 3 'Structure model' '_ma_associated_archive_file_details.data_id' 6 3 'Structure model' '_audit_conform.dict_location' 7 3 'Structure model' '_audit_conform.dict_version'