data_ma-t3vr3-043 _entry.id ma-t3vr3-043 _entry.ma_collection_id ma-t3vr3 _struct.entry_id ma-t3vr3-043 _struct.pdbx_model_details ;Predicted interaction between Insulin receptor substrate 4 (residue 1144 - 1257) and Apoptosis-stimulating of p53 protein 2 (residue 922 - 1128). 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 IRS4 (1144-1257) and TP53BP2 (922-1128)' _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) IRS4 (O14654; 1144 - 1257)' 13762.382 1 . 2 polymer nat 'Homo sapiens (Human) TP53BP2 (Q13625; 922 - 1128)' 27167.753 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 . IRS4_HUMAN O14654 . 1144 1257 9606 'Homo sapiens (Human)' 1998-01-01 4D512D65A7A80374 2 UNP . ASPP2_HUMAN Q13625 . 922 1128 9606 'Homo sapiens (Human)' 2003-08-15 C75D056FBC1DAD75 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 ;PGIGAAAAAAGFDSASARWFQPVANAADAEAVRGAQDVAGGSNPGAHNPSANLARGDNQAGGAAAAAAAP EPPPRSRRVPRPPEREDSDNDDDTHVRMDFARRDNQFDSPKRGR ; ;PGIGAAAAAAGFDSASARWFQPVANAADAEAVRGAQDVAGGSNPGAHNPSANLARGDNQAGGAAAAAAAP EPPPRSRRVPRPPEREDSDNDDDTHVRMDFARRDNQFDSPKRGR ; 2 polypeptide(L) no no B ;VKFNPLALLLDSSLEGEFDLVQRIIYEVDDPSLPNDEGITALHNAVCAGHTEIVKFLVQFGVNVNAADSD GWTPLHCAASCNNVQVCKFLVESGAAVFAMTYSDMQTAADKCEEMEEGYTQCSQFLYGVQEKMGIMNKGV IYALWDYEPQNDDELPMKEGDCMTIIHREDEDEIEWWWARLNDKEGYVPRNLLGLYPRIKPRQRSLA ; ;VKFNPLALLLDSSLEGEFDLVQRIIYEVDDPSLPNDEGITALHNAVCAGHTEIVKFLVQFGVNVNAADSD GWTPLHCAASCNNVQVCKFLVESGAAVFAMTYSDMQTAADKCEEMEEGYTQCSQFLYGVQEKMGIMNKGV IYALWDYEPQNDDELPMKEGDCMTIIHREDEDEIEWWWARLNDKEGYVPRNLLGLYPRIKPRQRSLA ; loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 PRO . 1 2 GLY . 1 3 ILE . 1 4 GLY . 1 5 ALA . 1 6 ALA . 1 7 ALA . 1 8 ALA . 1 9 ALA . 1 10 ALA . 1 11 GLY . 1 12 PHE . 1 13 ASP . 1 14 SER . 1 15 ALA . 1 16 SER . 1 17 ALA . 1 18 ARG . 1 19 TRP . 1 20 PHE . 1 21 GLN . 1 22 PRO . 1 23 VAL . 1 24 ALA . 1 25 ASN . 1 26 ALA . 1 27 ALA . 1 28 ASP . 1 29 ALA . 1 30 GLU . 1 31 ALA . 1 32 VAL . 1 33 ARG . 1 34 GLY . 1 35 ALA . 1 36 GLN . 1 37 ASP . 1 38 VAL . 1 39 ALA . 1 40 GLY . 1 41 GLY . 1 42 SER . 1 43 ASN . 1 44 PRO . 1 45 GLY . 1 46 ALA . 1 47 HIS . 1 48 ASN . 1 49 PRO . 1 50 SER . 1 51 ALA . 1 52 ASN . 1 53 LEU . 1 54 ALA . 1 55 ARG . 1 56 GLY . 1 57 ASP . 1 58 ASN . 1 59 GLN . 1 60 ALA . 1 61 GLY . 1 62 GLY . 1 63 ALA . 1 64 ALA . 1 65 ALA . 1 66 ALA . 1 67 ALA . 1 68 ALA . 1 69 ALA . 1 70 PRO . 1 71 GLU . 1 72 PRO . 1 73 PRO . 1 74 PRO . 1 75 ARG . 1 76 SER . 1 77 ARG . 1 78 ARG . 1 79 VAL . 1 80 PRO . 1 81 ARG . 1 82 PRO . 1 83 PRO . 1 84 GLU . 1 85 ARG . 1 86 GLU . 1 87 ASP . 1 88 SER . 1 89 ASP . 1 90 ASN . 1 91 ASP . 1 92 ASP . 1 93 ASP . 1 94 THR . 1 95 HIS . 1 96 VAL . 1 97 ARG . 1 98 MET . 1 99 ASP . 1 100 PHE . 1 101 ALA . 1 102 ARG . 1 103 ARG . 1 104 ASP . 1 105 ASN . 1 106 GLN . 1 107 PHE . 1 108 ASP . 1 109 SER . 1 110 PRO . 1 111 LYS . 1 112 ARG . 1 113 GLY . 1 114 ARG . 2 1 VAL . 2 2 LYS . 2 3 PHE . 2 4 ASN . 2 5 PRO . 2 6 LEU . 2 7 ALA . 2 8 LEU . 2 9 LEU . 2 10 LEU . 2 11 ASP . 2 12 SER . 2 13 SER . 2 14 LEU . 2 15 GLU . 2 16 GLY . 2 17 GLU . 2 18 PHE . 2 19 ASP . 2 20 LEU . 2 21 VAL . 2 22 GLN . 2 23 ARG . 2 24 ILE . 2 25 ILE . 2 26 TYR . 2 27 GLU . 2 28 VAL . 2 29 ASP . 2 30 ASP . 2 31 PRO . 2 32 SER . 2 33 LEU . 2 34 PRO . 2 35 ASN . 2 36 ASP . 2 37 GLU . 2 38 GLY . 2 39 ILE . 2 40 THR . 2 41 ALA . 2 42 LEU . 2 43 HIS . 2 44 ASN . 2 45 ALA . 2 46 VAL . 2 47 CYS . 2 48 ALA . 2 49 GLY . 2 50 HIS . 2 51 THR . 2 52 GLU . 2 53 ILE . 2 54 VAL . 2 55 LYS . 2 56 PHE . 2 57 LEU . 2 58 VAL . 2 59 GLN . 2 60 PHE . 2 61 GLY . 2 62 VAL . 2 63 ASN . 2 64 VAL . 2 65 ASN . 2 66 ALA . 2 67 ALA . 2 68 ASP . 2 69 SER . 2 70 ASP . 2 71 GLY . 2 72 TRP . 2 73 THR . 2 74 PRO . 2 75 LEU . 2 76 HIS . 2 77 CYS . 2 78 ALA . 2 79 ALA . 2 80 SER . 2 81 CYS . 2 82 ASN . 2 83 ASN . 2 84 VAL . 2 85 GLN . 2 86 VAL . 2 87 CYS . 2 88 LYS . 2 89 PHE . 2 90 LEU . 2 91 VAL . 2 92 GLU . 2 93 SER . 2 94 GLY . 2 95 ALA . 2 96 ALA . 2 97 VAL . 2 98 PHE . 2 99 ALA . 2 100 MET . 2 101 THR . 2 102 TYR . 2 103 SER . 2 104 ASP . 2 105 MET . 2 106 GLN . 2 107 THR . 2 108 ALA . 2 109 ALA . 2 110 ASP . 2 111 LYS . 2 112 CYS . 2 113 GLU . 2 114 GLU . 2 115 MET . 2 116 GLU . 2 117 GLU . 2 118 GLY . 2 119 TYR . 2 120 THR . 2 121 GLN . 2 122 CYS . 2 123 SER . 2 124 GLN . 2 125 PHE . 2 126 LEU . 2 127 TYR . 2 128 GLY . 2 129 VAL . 2 130 GLN . 2 131 GLU . 2 132 LYS . 2 133 MET . 2 134 GLY . 2 135 ILE . 2 136 MET . 2 137 ASN . 2 138 LYS . 2 139 GLY . 2 140 VAL . 2 141 ILE . 2 142 TYR . 2 143 ALA . 2 144 LEU . 2 145 TRP . 2 146 ASP . 2 147 TYR . 2 148 GLU . 2 149 PRO . 2 150 GLN . 2 151 ASN . 2 152 ASP . 2 153 ASP . 2 154 GLU . 2 155 LEU . 2 156 PRO . 2 157 MET . 2 158 LYS . 2 159 GLU . 2 160 GLY . 2 161 ASP . 2 162 CYS . 2 163 MET . 2 164 THR . 2 165 ILE . 2 166 ILE . 2 167 HIS . 2 168 ARG . 2 169 GLU . 2 170 ASP . 2 171 GLU . 2 172 ASP . 2 173 GLU . 2 174 ILE . 2 175 GLU . 2 176 TRP . 2 177 TRP . 2 178 TRP . 2 179 ALA . 2 180 ARG . 2 181 LEU . 2 182 ASN . 2 183 ASP . 2 184 LYS . 2 185 GLU . 2 186 GLY . 2 187 TYR . 2 188 VAL . 2 189 PRO . 2 190 ARG . 2 191 ASN . 2 192 LEU . 2 193 LEU . 2 194 GLY . 2 195 LEU . 2 196 TYR . 2 197 PRO . 2 198 ARG . 2 199 ILE . 2 200 LYS . 2 201 PRO . 2 202 ARG . 2 203 GLN . 2 204 ARG . 2 205 SER . 2 206 LEU . 2 207 ALA . 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 PRO 1144 1144 PRO PRO A . A 1 2 GLY 1145 1145 GLY GLY A . A 1 3 ILE 1146 1146 ILE ILE A . A 1 4 GLY 1147 1147 GLY GLY A . A 1 5 ALA 1148 1148 ALA ALA A . A 1 6 ALA 1149 1149 ALA ALA A . A 1 7 ALA 1150 1150 ALA ALA A . A 1 8 ALA 1151 1151 ALA ALA A . A 1 9 ALA 1152 1152 ALA ALA A . A 1 10 ALA 1153 1153 ALA ALA A . A 1 11 GLY 1154 1154 GLY GLY A . A 1 12 PHE 1155 1155 PHE PHE A . A 1 13 ASP 1156 1156 ASP ASP A . A 1 14 SER 1157 1157 SER SER A . A 1 15 ALA 1158 1158 ALA ALA A . A 1 16 SER 1159 1159 SER SER A . A 1 17 ALA 1160 1160 ALA ALA A . A 1 18 ARG 1161 1161 ARG ARG A . A 1 19 TRP 1162 1162 TRP TRP A . A 1 20 PHE 1163 1163 PHE PHE A . A 1 21 GLN 1164 1164 GLN GLN A . A 1 22 PRO 1165 1165 PRO PRO A . A 1 23 VAL 1166 1166 VAL VAL A . A 1 24 ALA 1167 1167 ALA ALA A . A 1 25 ASN 1168 1168 ASN ASN A . A 1 26 ALA 1169 1169 ALA ALA A . A 1 27 ALA 1170 1170 ALA ALA A . A 1 28 ASP 1171 1171 ASP ASP A . A 1 29 ALA 1172 1172 ALA ALA A . A 1 30 GLU 1173 1173 GLU GLU A . A 1 31 ALA 1174 1174 ALA ALA A . A 1 32 VAL 1175 1175 VAL VAL A . A 1 33 ARG 1176 1176 ARG ARG A . A 1 34 GLY 1177 1177 GLY GLY A . A 1 35 ALA 1178 1178 ALA ALA A . A 1 36 GLN 1179 1179 GLN GLN A . A 1 37 ASP 1180 1180 ASP ASP A . A 1 38 VAL 1181 1181 VAL VAL A . A 1 39 ALA 1182 1182 ALA ALA A . A 1 40 GLY 1183 1183 GLY GLY A . A 1 41 GLY 1184 1184 GLY GLY A . A 1 42 SER 1185 1185 SER SER A . A 1 43 ASN 1186 1186 ASN ASN A . A 1 44 PRO 1187 1187 PRO PRO A . A 1 45 GLY 1188 1188 GLY GLY A . A 1 46 ALA 1189 1189 ALA ALA A . A 1 47 HIS 1190 1190 HIS HIS A . A 1 48 ASN 1191 1191 ASN ASN A . A 1 49 PRO 1192 1192 PRO PRO A . A 1 50 SER 1193 1193 SER SER A . A 1 51 ALA 1194 1194 ALA ALA A . A 1 52 ASN 1195 1195 ASN ASN A . A 1 53 LEU 1196 1196 LEU LEU A . A 1 54 ALA 1197 1197 ALA ALA A . A 1 55 ARG 1198 1198 ARG ARG A . A 1 56 GLY 1199 1199 GLY GLY A . A 1 57 ASP 1200 1200 ASP ASP A . A 1 58 ASN 1201 1201 ASN ASN A . A 1 59 GLN 1202 1202 GLN GLN A . A 1 60 ALA 1203 1203 ALA ALA A . A 1 61 GLY 1204 1204 GLY GLY A . A 1 62 GLY 1205 1205 GLY GLY A . A 1 63 ALA 1206 1206 ALA ALA A . A 1 64 ALA 1207 1207 ALA ALA A . A 1 65 ALA 1208 1208 ALA ALA A . A 1 66 ALA 1209 1209 ALA ALA A . A 1 67 ALA 1210 1210 ALA ALA A . A 1 68 ALA 1211 1211 ALA ALA A . A 1 69 ALA 1212 1212 ALA ALA A . A 1 70 PRO 1213 1213 PRO PRO A . A 1 71 GLU 1214 1214 GLU GLU A . A 1 72 PRO 1215 1215 PRO PRO A . A 1 73 PRO 1216 1216 PRO PRO A . A 1 74 PRO 1217 1217 PRO PRO A . A 1 75 ARG 1218 1218 ARG ARG A . A 1 76 SER 1219 1219 SER SER A . A 1 77 ARG 1220 1220 ARG ARG A . A 1 78 ARG 1221 1221 ARG ARG A . A 1 79 VAL 1222 1222 VAL VAL A . A 1 80 PRO 1223 1223 PRO PRO A . A 1 81 ARG 1224 1224 ARG ARG A . A 1 82 PRO 1225 1225 PRO PRO A . A 1 83 PRO 1226 1226 PRO PRO A . A 1 84 GLU 1227 1227 GLU GLU A . A 1 85 ARG 1228 1228 ARG ARG A . A 1 86 GLU 1229 1229 GLU GLU A . A 1 87 ASP 1230 1230 ASP ASP A . A 1 88 SER 1231 1231 SER SER A . A 1 89 ASP 1232 1232 ASP ASP A . A 1 90 ASN 1233 1233 ASN ASN A . A 1 91 ASP 1234 1234 ASP ASP A . A 1 92 ASP 1235 1235 ASP ASP A . A 1 93 ASP 1236 1236 ASP ASP A . A 1 94 THR 1237 1237 THR THR A . A 1 95 HIS 1238 1238 HIS HIS A . A 1 96 VAL 1239 1239 VAL VAL A . A 1 97 ARG 1240 1240 ARG ARG A . A 1 98 MET 1241 1241 MET MET A . A 1 99 ASP 1242 1242 ASP ASP A . A 1 100 PHE 1243 1243 PHE PHE A . A 1 101 ALA 1244 1244 ALA ALA A . A 1 102 ARG 1245 1245 ARG ARG A . A 1 103 ARG 1246 1246 ARG ARG A . A 1 104 ASP 1247 1247 ASP ASP A . A 1 105 ASN 1248 1248 ASN ASN A . A 1 106 GLN 1249 1249 GLN GLN A . A 1 107 PHE 1250 1250 PHE PHE A . A 1 108 ASP 1251 1251 ASP ASP A . A 1 109 SER 1252 1252 SER SER A . A 1 110 PRO 1253 1253 PRO PRO A . A 1 111 LYS 1254 1254 LYS LYS A . A 1 112 ARG 1255 1255 ARG ARG A . A 1 113 GLY 1256 1256 GLY GLY A . A 1 114 ARG 1257 1257 ARG ARG A . B 2 1 VAL 922 922 VAL VAL B . B 2 2 LYS 923 923 LYS LYS B . B 2 3 PHE 924 924 PHE PHE B . B 2 4 ASN 925 925 ASN ASN B . B 2 5 PRO 926 926 PRO PRO B . B 2 6 LEU 927 927 LEU LEU B . B 2 7 ALA 928 928 ALA ALA B . B 2 8 LEU 929 929 LEU LEU B . B 2 9 LEU 930 930 LEU LEU B . B 2 10 LEU 931 931 LEU LEU B . B 2 11 ASP 932 932 ASP ASP B . B 2 12 SER 933 933 SER SER B . B 2 13 SER 934 934 SER SER B . B 2 14 LEU 935 935 LEU LEU B . B 2 15 GLU 936 936 GLU GLU B . B 2 16 GLY 937 937 GLY GLY B . B 2 17 GLU 938 938 GLU GLU B . B 2 18 PHE 939 939 PHE PHE B . B 2 19 ASP 940 940 ASP ASP B . B 2 20 LEU 941 941 LEU LEU B . B 2 21 VAL 942 942 VAL VAL B . B 2 22 GLN 943 943 GLN GLN B . B 2 23 ARG 944 944 ARG ARG B . B 2 24 ILE 945 945 ILE ILE B . B 2 25 ILE 946 946 ILE ILE B . B 2 26 TYR 947 947 TYR TYR B . B 2 27 GLU 948 948 GLU GLU B . B 2 28 VAL 949 949 VAL VAL B . B 2 29 ASP 950 950 ASP ASP B . B 2 30 ASP 951 951 ASP ASP B . B 2 31 PRO 952 952 PRO PRO B . B 2 32 SER 953 953 SER SER B . B 2 33 LEU 954 954 LEU LEU B . B 2 34 PRO 955 955 PRO PRO B . B 2 35 ASN 956 956 ASN ASN B . B 2 36 ASP 957 957 ASP ASP B . B 2 37 GLU 958 958 GLU GLU B . B 2 38 GLY 959 959 GLY GLY B . B 2 39 ILE 960 960 ILE ILE B . B 2 40 THR 961 961 THR THR B . B 2 41 ALA 962 962 ALA ALA B . B 2 42 LEU 963 963 LEU LEU B . B 2 43 HIS 964 964 HIS HIS B . B 2 44 ASN 965 965 ASN ASN B . B 2 45 ALA 966 966 ALA ALA B . B 2 46 VAL 967 967 VAL VAL B . B 2 47 CYS 968 968 CYS CYS B . B 2 48 ALA 969 969 ALA ALA B . B 2 49 GLY 970 970 GLY GLY B . B 2 50 HIS 971 971 HIS HIS B . B 2 51 THR 972 972 THR THR B . B 2 52 GLU 973 973 GLU GLU B . B 2 53 ILE 974 974 ILE ILE B . B 2 54 VAL 975 975 VAL VAL B . B 2 55 LYS 976 976 LYS LYS B . B 2 56 PHE 977 977 PHE PHE B . B 2 57 LEU 978 978 LEU LEU B . B 2 58 VAL 979 979 VAL VAL B . B 2 59 GLN 980 980 GLN GLN B . B 2 60 PHE 981 981 PHE PHE B . B 2 61 GLY 982 982 GLY GLY B . B 2 62 VAL 983 983 VAL VAL B . B 2 63 ASN 984 984 ASN ASN B . B 2 64 VAL 985 985 VAL VAL B . B 2 65 ASN 986 986 ASN ASN B . B 2 66 ALA 987 987 ALA ALA B . B 2 67 ALA 988 988 ALA ALA B . B 2 68 ASP 989 989 ASP ASP B . B 2 69 SER 990 990 SER SER B . B 2 70 ASP 991 991 ASP ASP B . B 2 71 GLY 992 992 GLY GLY B . B 2 72 TRP 993 993 TRP TRP B . B 2 73 THR 994 994 THR THR B . B 2 74 PRO 995 995 PRO PRO B . B 2 75 LEU 996 996 LEU LEU B . B 2 76 HIS 997 997 HIS HIS B . B 2 77 CYS 998 998 CYS CYS B . B 2 78 ALA 999 999 ALA ALA B . B 2 79 ALA 1000 1000 ALA ALA B . B 2 80 SER 1001 1001 SER SER B . B 2 81 CYS 1002 1002 CYS CYS B . B 2 82 ASN 1003 1003 ASN ASN B . B 2 83 ASN 1004 1004 ASN ASN B . B 2 84 VAL 1005 1005 VAL VAL B . B 2 85 GLN 1006 1006 GLN GLN B . B 2 86 VAL 1007 1007 VAL VAL B . B 2 87 CYS 1008 1008 CYS CYS B . B 2 88 LYS 1009 1009 LYS LYS B . B 2 89 PHE 1010 1010 PHE PHE B . B 2 90 LEU 1011 1011 LEU LEU B . B 2 91 VAL 1012 1012 VAL VAL B . B 2 92 GLU 1013 1013 GLU GLU B . B 2 93 SER 1014 1014 SER SER B . B 2 94 GLY 1015 1015 GLY GLY B . B 2 95 ALA 1016 1016 ALA ALA B . B 2 96 ALA 1017 1017 ALA ALA B . B 2 97 VAL 1018 1018 VAL VAL B . B 2 98 PHE 1019 1019 PHE PHE B . B 2 99 ALA 1020 1020 ALA ALA B . B 2 100 MET 1021 1021 MET MET B . B 2 101 THR 1022 1022 THR THR B . B 2 102 TYR 1023 1023 TYR TYR B . B 2 103 SER 1024 1024 SER SER B . B 2 104 ASP 1025 1025 ASP ASP B . B 2 105 MET 1026 1026 MET MET B . B 2 106 GLN 1027 1027 GLN GLN B . B 2 107 THR 1028 1028 THR THR B . B 2 108 ALA 1029 1029 ALA ALA B . B 2 109 ALA 1030 1030 ALA ALA B . B 2 110 ASP 1031 1031 ASP ASP B . B 2 111 LYS 1032 1032 LYS LYS B . B 2 112 CYS 1033 1033 CYS CYS B . B 2 113 GLU 1034 1034 GLU GLU B . B 2 114 GLU 1035 1035 GLU GLU B . B 2 115 MET 1036 1036 MET MET B . B 2 116 GLU 1037 1037 GLU GLU B . B 2 117 GLU 1038 1038 GLU GLU B . B 2 118 GLY 1039 1039 GLY GLY B . B 2 119 TYR 1040 1040 TYR TYR B . B 2 120 THR 1041 1041 THR THR B . B 2 121 GLN 1042 1042 GLN GLN B . B 2 122 CYS 1043 1043 CYS CYS B . B 2 123 SER 1044 1044 SER SER B . B 2 124 GLN 1045 1045 GLN GLN B . B 2 125 PHE 1046 1046 PHE PHE B . B 2 126 LEU 1047 1047 LEU LEU B . B 2 127 TYR 1048 1048 TYR TYR B . B 2 128 GLY 1049 1049 GLY GLY B . B 2 129 VAL 1050 1050 VAL VAL B . B 2 130 GLN 1051 1051 GLN GLN B . B 2 131 GLU 1052 1052 GLU GLU B . B 2 132 LYS 1053 1053 LYS LYS B . B 2 133 MET 1054 1054 MET MET B . B 2 134 GLY 1055 1055 GLY GLY B . B 2 135 ILE 1056 1056 ILE ILE B . B 2 136 MET 1057 1057 MET MET B . B 2 137 ASN 1058 1058 ASN ASN B . B 2 138 LYS 1059 1059 LYS LYS B . B 2 139 GLY 1060 1060 GLY GLY B . B 2 140 VAL 1061 1061 VAL VAL B . B 2 141 ILE 1062 1062 ILE ILE B . B 2 142 TYR 1063 1063 TYR TYR B . B 2 143 ALA 1064 1064 ALA ALA B . B 2 144 LEU 1065 1065 LEU LEU B . B 2 145 TRP 1066 1066 TRP TRP B . B 2 146 ASP 1067 1067 ASP ASP B . B 2 147 TYR 1068 1068 TYR TYR B . B 2 148 GLU 1069 1069 GLU GLU B . B 2 149 PRO 1070 1070 PRO PRO B . B 2 150 GLN 1071 1071 GLN GLN B . B 2 151 ASN 1072 1072 ASN ASN B . B 2 152 ASP 1073 1073 ASP ASP B . B 2 153 ASP 1074 1074 ASP ASP B . B 2 154 GLU 1075 1075 GLU GLU B . B 2 155 LEU 1076 1076 LEU LEU B . B 2 156 PRO 1077 1077 PRO PRO B . B 2 157 MET 1078 1078 MET MET B . B 2 158 LYS 1079 1079 LYS LYS B . B 2 159 GLU 1080 1080 GLU GLU B . B 2 160 GLY 1081 1081 GLY GLY B . B 2 161 ASP 1082 1082 ASP ASP B . B 2 162 CYS 1083 1083 CYS CYS B . B 2 163 MET 1084 1084 MET MET B . B 2 164 THR 1085 1085 THR THR B . B 2 165 ILE 1086 1086 ILE ILE B . B 2 166 ILE 1087 1087 ILE ILE B . B 2 167 HIS 1088 1088 HIS HIS B . B 2 168 ARG 1089 1089 ARG ARG B . B 2 169 GLU 1090 1090 GLU GLU B . B 2 170 ASP 1091 1091 ASP ASP B . B 2 171 GLU 1092 1092 GLU GLU B . B 2 172 ASP 1093 1093 ASP ASP B . B 2 173 GLU 1094 1094 GLU GLU B . B 2 174 ILE 1095 1095 ILE ILE B . B 2 175 GLU 1096 1096 GLU GLU B . B 2 176 TRP 1097 1097 TRP TRP B . B 2 177 TRP 1098 1098 TRP TRP B . B 2 178 TRP 1099 1099 TRP TRP B . B 2 179 ALA 1100 1100 ALA ALA B . B 2 180 ARG 1101 1101 ARG ARG B . B 2 181 LEU 1102 1102 LEU LEU B . B 2 182 ASN 1103 1103 ASN ASN B . B 2 183 ASP 1104 1104 ASP ASP B . B 2 184 LYS 1105 1105 LYS LYS B . B 2 185 GLU 1106 1106 GLU GLU B . B 2 186 GLY 1107 1107 GLY GLY B . B 2 187 TYR 1108 1108 TYR TYR B . B 2 188 VAL 1109 1109 VAL VAL B . B 2 189 PRO 1110 1110 PRO PRO B . B 2 190 ARG 1111 1111 ARG ARG B . B 2 191 ASN 1112 1112 ASN ASN B . B 2 192 LEU 1113 1113 LEU LEU B . B 2 193 LEU 1114 1114 LEU LEU B . B 2 194 GLY 1115 1115 GLY GLY B . B 2 195 LEU 1116 1116 LEU LEU B . B 2 196 TYR 1117 1117 TYR TYR B . B 2 197 PRO 1118 1118 PRO PRO B . B 2 198 ARG 1119 1119 ARG ARG B . B 2 199 ILE 1120 1120 ILE ILE B . B 2 200 LYS 1121 1121 LYS LYS B . B 2 201 PRO 1122 1122 PRO PRO B . B 2 202 ARG 1123 1123 ARG ARG B . B 2 203 GLN 1124 1124 GLN GLN B . B 2 204 ARG 1125 1125 ARG ARG B . B 2 205 SER 1126 1126 SER SER B . B 2 206 LEU 1127 1127 LEU LEU B . B 2 207 ALA 1128 1128 ALA ALA B . loop_ _ma_data.id _ma_data.name _ma_data.content_type 1 'Homo sapiens (Human) IRS4 (O14654; 1144 - 1257)' target 2 'Homo sapiens (Human) TP53BP2 (Q13625; 922 - 1128)' 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 . PRO 1 1144 ? A -6.529 -42.135 20.620 1.000 1 A 37.987 1 ATOM 2 C CA . PRO 1 1144 ? A -6.286 -41.113 21.641 1.000 1 A 37.987 1 ATOM 3 C C . PRO 1 1144 ? A -5.585 -39.877 21.083 1.000 1 A 37.987 1 ATOM 4 O O . PRO 1 1144 ? A -4.519 -39.990 20.472 1.000 1 A 37.987 1 ATOM 5 C CB . PRO 1 1144 ? A -5.397 -41.834 22.657 1.000 1 A 37.987 1 ATOM 6 C CG . PRO 1 1144 ? A -4.551 -42.755 21.838 1.000 1 A 37.987 1 ATOM 7 C CD . PRO 1 1144 ? A -4.986 -42.654 20.404 1.000 1 A 37.987 1 ATOM 8 N N . GLY 2 1145 ? A -6.374 -38.865 20.520 1.000 1 A 32.692 1 ATOM 9 C CA . GLY 2 1145 ? A -6.554 -37.524 21.053 1.000 1 A 32.692 1 ATOM 10 C C . GLY 2 1145 ? A -6.038 -36.439 20.125 1.000 1 A 32.692 1 ATOM 11 O O . GLY 2 1145 ? A -4.903 -36.510 19.650 1.000 1 A 32.692 1 ATOM 12 N N . ILE 3 1146 ? A -6.965 -35.814 19.322 1.000 1 A 32.222 1 ATOM 13 C CA . ILE 3 1146 ? A -7.524 -34.487 19.087 1.000 1 A 32.222 1 ATOM 14 C C . ILE 3 1146 ? A -7.474 -34.163 17.595 1.000 1 A 32.222 1 ATOM 15 O O . ILE 3 1146 ? A -6.398 -33.925 17.041 1.000 1 A 32.222 1 ATOM 16 C CB . ILE 3 1146 ? A -6.773 -33.405 19.896 1.000 1 A 32.222 1 ATOM 17 C CG1 . ILE 3 1146 ? A -5.330 -33.847 20.167 1.000 1 A 32.222 1 ATOM 18 C CG2 . ILE 3 1146 ? A -7.508 -33.102 21.205 1.000 1 A 32.222 1 ATOM 19 C CD1 . ILE 3 1146 ? A -4.415 -32.721 20.628 1.000 1 A 32.222 1 ATOM 20 N N . GLY 4 1147 ? A -8.160 -34.911 16.787 1.000 1 A 34.574 1 ATOM 21 C CA . GLY 4 1147 ? A -8.385 -34.580 15.389 1.000 1 A 34.574 1 ATOM 22 C C . GLY 4 1147 ? A -9.834 -34.250 15.080 1.000 1 A 34.574 1 ATOM 23 O O . GLY 4 1147 ? A -10.159 -33.847 13.962 1.000 1 A 34.574 1 ATOM 24 N N . ALA 5 1148 ? A -10.430 -33.300 15.898 1.000 1 A 34.451 1 ATOM 25 C CA . ALA 5 1148 ? A -11.711 -32.851 15.359 1.000 1 A 34.451 1 ATOM 26 C C . ALA 5 1148 ? A -12.020 -31.422 15.797 1.000 1 A 34.451 1 ATOM 27 O O . ALA 5 1148 ? A -13.181 -31.007 15.811 1.000 1 A 34.451 1 ATOM 28 C CB . ALA 5 1148 ? A -12.831 -33.792 15.796 1.000 1 A 34.451 1 ATOM 29 N N . ALA 6 1149 ? A -11.028 -30.471 15.618 1.000 1 A 31.844 1 ATOM 30 C CA . ALA 6 1149 ? A -11.569 -29.115 15.653 1.000 1 A 31.844 1 ATOM 31 C C . ALA 6 1149 ? A -10.972 -28.258 14.541 1.000 1 A 31.844 1 ATOM 32 O O . ALA 6 1149 ? A -11.033 -27.027 14.596 1.000 1 A 31.844 1 ATOM 33 C CB . ALA 6 1149 ? A -11.309 -28.473 17.013 1.000 1 A 31.844 1 ATOM 34 N N . ALA 7 1150 ? A -10.901 -28.796 13.322 1.000 1 A 36.723 1 ATOM 35 C CA . ALA 7 1150 ? A -10.610 -27.823 12.273 1.000 1 A 36.723 1 ATOM 36 C C . ALA 7 1150 ? A -11.644 -27.897 11.153 1.000 1 A 36.723 1 ATOM 37 O O . ALA 7 1150 ? A -11.476 -27.274 10.102 1.000 1 A 36.723 1 ATOM 38 C CB . ALA 7 1150 ? A -9.207 -28.047 11.713 1.000 1 A 36.723 1 ATOM 39 N N . ALA 8 1151 ? A -12.858 -28.311 11.589 1.000 1 A 35.665 1 ATOM 40 C CA . ALA 8 1151 ? A -13.962 -28.195 10.641 1.000 1 A 35.665 1 ATOM 41 C C . ALA 8 1151 ? A -14.946 -27.112 11.075 1.000 1 A 35.665 1 ATOM 42 O O . ALA 8 1151 ? A -15.875 -26.776 10.337 1.000 1 A 35.665 1 ATOM 43 C CB . ALA 8 1151 ? A -14.681 -29.534 10.493 1.000 1 A 35.665 1 ATOM 44 N N . ALA 9 1152 ? A -14.454 -25.908 11.658 1.000 1 A 35.108 1 ATOM 45 C CA . ALA 9 1152 ? A -15.449 -24.851 11.819 1.000 1 A 35.108 1 ATOM 46 C C . ALA 9 1152 ? A -14.911 -23.511 11.325 1.000 1 A 35.108 1 ATOM 47 O O . ALA 9 1152 ? A -15.565 -22.477 11.480 1.000 1 A 35.108 1 ATOM 48 C CB . ALA 9 1152 ? A -15.878 -24.742 13.280 1.000 1 A 35.108 1 ATOM 49 N N . ALA 10 1153 ? A -14.168 -23.437 10.244 1.000 1 A 38.109 1 ATOM 50 C CA . ALA 10 1153 ? A -14.124 -22.101 9.657 1.000 1 A 38.109 1 ATOM 51 C C . ALA 10 1153 ? A -14.530 -22.134 8.186 1.000 1 A 38.109 1 ATOM 52 O O . ALA 10 1153 ? A -13.856 -22.758 7.363 1.000 1 A 38.109 1 ATOM 53 C CB . ALA 10 1153 ? A -12.729 -21.499 9.806 1.000 1 A 38.109 1 ATOM 54 N N . GLY 11 1154 ? A -15.648 -22.817 7.817 1.000 1 A 27.610 1 ATOM 55 C CA . GLY 11 1154 ? A -16.598 -22.576 6.742 1.000 1 A 27.610 1 ATOM 56 C C . GLY 11 1154 ? A -16.099 -21.573 5.719 1.000 1 A 27.610 1 ATOM 57 O O . GLY 11 1154 ? A -15.944 -20.390 6.027 1.000 1 A 27.610 1 ATOM 58 N N . PHE 12 1155 ? A -15.046 -21.898 5.027 1.000 1 A 31.245 1 ATOM 59 C CA . PHE 12 1155 ? A -14.721 -21.341 3.720 1.000 1 A 31.245 1 ATOM 60 C C . PHE 12 1155 ? A -15.894 -21.495 2.759 1.000 1 A 31.245 1 ATOM 61 O O . PHE 12 1155 ? A -16.405 -22.600 2.567 1.000 1 A 31.245 1 ATOM 62 C CB . PHE 12 1155 ? A -13.475 -22.018 3.140 1.000 1 A 31.245 1 ATOM 63 C CG . PHE 12 1155 ? A -12.185 -21.532 3.743 1.000 1 A 31.245 1 ATOM 64 C CD1 . PHE 12 1155 ? A -11.608 -20.342 3.318 1.000 1 A 31.245 1 ATOM 65 C CD2 . PHE 12 1155 ? A -11.548 -22.267 4.734 1.000 1 A 31.245 1 ATOM 66 C CE1 . PHE 12 1155 ? A -10.413 -19.890 3.874 1.000 1 A 31.245 1 ATOM 67 C CE2 . PHE 12 1155 ? A -10.354 -21.822 5.295 1.000 1 A 31.245 1 ATOM 68 C CZ . PHE 12 1155 ? A -9.788 -20.634 4.862 1.000 1 A 31.245 1 ATOM 69 N N . ASP 13 1156 ? A -17.006 -20.878 3.036 1.000 1 A 29.527 1 ATOM 70 C CA . ASP 13 1156 ? A -18.072 -20.693 2.056 1.000 1 A 29.527 1 ATOM 71 C C . ASP 13 1156 ? A -17.499 -20.425 0.666 1.000 1 A 29.527 1 ATOM 72 O O . ASP 13 1156 ? A -16.623 -19.573 0.503 1.000 1 A 29.527 1 ATOM 73 C CB . ASP 13 1156 ? A -18.994 -19.546 2.475 1.000 1 A 29.527 1 ATOM 74 C CG . ASP 13 1156 ? A -20.340 -20.026 2.988 1.000 1 A 29.527 1 ATOM 75 O OD1 . ASP 13 1156 ? A -20.649 -21.230 2.859 1.000 1 A 29.527 1 ATOM 76 O OD2 . ASP 13 1156 ? A -21.100 -19.191 3.525 1.000 1 A 29.527 1 ATOM 77 N N . SER 14 1157 ? A -17.059 -21.460 -0.028 1.000 1 A 38.675 1 ATOM 78 C CA . SER 14 1157 ? A -17.071 -21.880 -1.425 1.000 1 A 38.675 1 ATOM 79 C C . SER 14 1157 ? A -17.934 -20.953 -2.274 1.000 1 A 38.675 1 ATOM 80 O O . SER 14 1157 ? A -18.023 -21.120 -3.492 1.000 1 A 38.675 1 ATOM 81 C CB . SER 14 1157 ? A -17.577 -23.317 -1.549 1.000 1 A 38.675 1 ATOM 82 O OG . SER 14 1157 ? A -16.526 -24.242 -1.327 1.000 1 A 38.675 1 ATOM 83 N N . ALA 15 1158 ? A -18.070 -19.656 -1.885 1.000 1 A 30.139 1 ATOM 84 C CA . ALA 15 1158 ? A -18.644 -18.772 -2.896 1.000 1 A 30.139 1 ATOM 85 C C . ALA 15 1158 ? A -17.647 -17.694 -3.312 1.000 1 A 30.139 1 ATOM 86 O O . ALA 15 1158 ? A -17.875 -16.972 -4.285 1.000 1 A 30.139 1 ATOM 87 C CB . ALA 15 1158 ? A -19.929 -18.133 -2.376 1.000 1 A 30.139 1 ATOM 88 N N . SER 16 1159 ? A -16.323 -17.839 -3.011 1.000 1 A 38.137 1 ATOM 89 C CA . SER 16 1159 ? A -15.299 -16.954 -3.556 1.000 1 A 38.137 1 ATOM 90 C C . SER 16 1159 ? A -14.537 -17.625 -4.694 1.000 1 A 38.137 1 ATOM 91 O O . SER 16 1159 ? A -13.878 -16.951 -5.489 1.000 1 A 38.137 1 ATOM 92 C CB . SER 16 1159 ? A -14.322 -16.525 -2.460 1.000 1 A 38.137 1 ATOM 93 O OG . SER 16 1159 ? A -14.836 -15.424 -1.731 1.000 1 A 38.137 1 ATOM 94 N N . ALA 17 1160 ? A -14.972 -18.975 -4.933 1.000 1 A 31.676 1 ATOM 95 C CA . ALA 17 1160 ? A -14.327 -19.698 -6.025 1.000 1 A 31.676 1 ATOM 96 C C . ALA 17 1160 ? A -15.079 -19.497 -7.338 1.000 1 A 31.676 1 ATOM 97 O O . ALA 17 1160 ? A -14.557 -19.802 -8.413 1.000 1 A 31.676 1 ATOM 98 C CB . ALA 17 1160 ? A -14.230 -21.186 -5.694 1.000 1 A 31.676 1 ATOM 99 N N . ARG 18 1161 ? A -16.078 -18.577 -7.385 1.000 1 A 29.862 1 ATOM 100 C CA . ARG 18 1161 ? A -16.772 -18.418 -8.659 1.000 1 A 29.862 1 ATOM 101 C C . ARG 18 1161 ? A -16.441 -17.074 -9.299 1.000 1 A 29.862 1 ATOM 102 O O . ARG 18 1161 ? A -16.892 -16.782 -10.409 1.000 1 A 29.862 1 ATOM 103 C CB . ARG 18 1161 ? A -18.284 -18.550 -8.468 1.000 1 A 29.862 1 ATOM 104 C CG . ARG 18 1161 ? A -18.777 -19.988 -8.423 1.000 1 A 29.862 1 ATOM 105 C CD . ARG 18 1161 ? A -20.296 -20.062 -8.366 1.000 1 A 29.862 1 ATOM 106 N NE . ARG 18 1161 ? A -20.768 -21.444 -8.342 1.000 1 A 29.862 1 ATOM 107 C CZ . ARG 18 1161 ? A -22.041 -21.812 -8.449 1.000 1 A 29.862 1 ATOM 108 N NH1 . ARG 18 1161 ? A -23.000 -20.904 -8.590 1.000 1 A 29.862 1 ATOM 109 N NH2 . ARG 18 1161 ? A -22.359 -23.098 -8.415 1.000 1 A 29.862 1 ATOM 110 N N . TRP 19 1162 ? A -15.257 -16.432 -9.069 1.000 1 A 26.969 1 ATOM 111 C CA . TRP 19 1162 ? A -14.931 -15.312 -9.946 1.000 1 A 26.969 1 ATOM 112 C C . TRP 19 1162 ? A -13.654 -15.590 -10.731 1.000 1 A 26.969 1 ATOM 113 O O . TRP 19 1162 ? A -13.154 -14.717 -11.445 1.000 1 A 26.969 1 ATOM 114 C CB . TRP 19 1162 ? A -14.777 -14.022 -9.136 1.000 1 A 26.969 1 ATOM 115 C CG . TRP 19 1162 ? A -16.021 -13.606 -8.410 1.000 1 A 26.969 1 ATOM 116 C CD1 . TRP 19 1162 ? A -16.511 -14.132 -7.247 1.000 1 A 26.969 1 ATOM 117 C CD2 . TRP 19 1162 ? A -16.936 -12.579 -8.803 1.000 1 A 26.969 1 ATOM 118 N NE1 . TRP 19 1162 ? A -17.677 -13.492 -6.893 1.000 1 A 26.969 1 ATOM 119 C CE2 . TRP 19 1162 ? A -17.959 -12.536 -7.831 1.000 1 A 26.969 1 ATOM 120 C CE3 . TRP 19 1162 ? A -16.989 -11.689 -9.885 1.000 1 A 26.969 1 ATOM 121 C CZ2 . TRP 19 1162 ? A -19.025 -11.636 -7.908 1.000 1 A 26.969 1 ATOM 122 C CZ3 . TRP 19 1162 ? A -18.051 -10.795 -9.960 1.000 1 A 26.969 1 ATOM 123 C CH2 . TRP 19 1162 ? A -19.053 -10.777 -8.976 1.000 1 A 26.969 1 ATOM 124 N N . PHE 20 1163 ? A -13.323 -16.962 -10.809 1.000 1 A 31.263 1 ATOM 125 C CA . PHE 20 1163 ? A -12.254 -17.322 -11.733 1.000 1 A 31.263 1 ATOM 126 C C . PHE 20 1163 ? A -12.820 -17.672 -13.104 1.000 1 A 31.263 1 ATOM 127 O O . PHE 20 1163 ? A -12.111 -18.218 -13.952 1.000 1 A 31.263 1 ATOM 128 C CB . PHE 20 1163 ? A -11.442 -18.499 -11.184 1.000 1 A 31.263 1 ATOM 129 C CG . PHE 20 1163 ? A -10.580 -18.143 -10.003 1.000 1 A 31.263 1 ATOM 130 C CD1 . PHE 20 1163 ? A -9.386 -17.453 -10.179 1.000 1 A 31.263 1 ATOM 131 C CD2 . PHE 20 1163 ? A -10.963 -18.499 -8.716 1.000 1 A 31.263 1 ATOM 132 C CE1 . PHE 20 1163 ? A -8.586 -17.123 -9.087 1.000 1 A 31.263 1 ATOM 133 C CE2 . PHE 20 1163 ? A -10.169 -18.172 -7.621 1.000 1 A 31.263 1 ATOM 134 C CZ . PHE 20 1163 ? A -8.980 -17.485 -7.809 1.000 1 A 31.263 1 ATOM 135 N N . GLN 21 1164 ? A -13.800 -16.910 -13.708 1.000 1 A 23.970 1 ATOM 136 C CA . GLN 21 1164 ? A -13.945 -17.251 -15.119 1.000 1 A 23.970 1 ATOM 137 C C . GLN 21 1164 ? A -13.418 -16.133 -16.013 1.000 1 A 23.970 1 ATOM 138 O O . GLN 21 1164 ? A -13.774 -14.966 -15.832 1.000 1 A 23.970 1 ATOM 139 C CB . GLN 21 1164 ? A -15.409 -17.544 -15.453 1.000 1 A 23.970 1 ATOM 140 C CG . GLN 21 1164 ? A -15.797 -19.007 -15.283 1.000 1 A 23.970 1 ATOM 141 C CD . GLN 21 1164 ? A -17.190 -19.309 -15.804 1.000 1 A 23.970 1 ATOM 142 O OE1 . GLN 21 1164 ? A -18.104 -18.488 -15.682 1.000 1 A 23.970 1 ATOM 143 N NE2 . GLN 21 1164 ? A -17.361 -20.490 -16.389 1.000 1 A 23.970 1 ATOM 144 N N . PRO 22 1165 ? A -12.242 -16.345 -16.652 1.000 1 A 31.642 1 ATOM 145 C CA . PRO 22 1165 ? A -11.781 -15.470 -17.732 1.000 1 A 31.642 1 ATOM 146 C C . PRO 22 1165 ? A -12.851 -15.230 -18.794 1.000 1 A 31.642 1 ATOM 147 O O . PRO 22 1165 ? A -13.635 -16.131 -19.100 1.000 1 A 31.642 1 ATOM 148 C CB . PRO 22 1165 ? A -10.589 -16.231 -18.319 1.000 1 A 31.642 1 ATOM 149 C CG . PRO 22 1165 ? A -10.590 -17.546 -17.609 1.000 1 A 31.642 1 ATOM 150 C CD . PRO 22 1165 ? A -11.811 -17.619 -16.739 1.000 1 A 31.642 1 ATOM 151 N N . VAL 23 1166 ? A -13.691 -14.210 -18.676 1.000 1 A 26.400 1 ATOM 152 C CA . VAL 23 1166 ? A -14.450 -13.675 -19.801 1.000 1 A 26.400 1 ATOM 153 C C . VAL 23 1166 ? A -13.715 -13.969 -21.107 1.000 1 A 26.400 1 ATOM 154 O O . VAL 23 1166 ? A -12.528 -13.662 -21.241 1.000 1 A 26.400 1 ATOM 155 C CB . VAL 23 1166 ? A -14.687 -12.155 -19.654 1.000 1 A 26.400 1 ATOM 156 C CG1 . VAL 23 1166 ? A -15.469 -11.612 -20.849 1.000 1 A 26.400 1 ATOM 157 C CG2 . VAL 23 1166 ? A -15.421 -11.853 -18.349 1.000 1 A 26.400 1 ATOM 158 N N . ALA 24 1167 ? A -13.807 -15.210 -21.689 1.000 1 A 28.152 1 ATOM 159 C CA . ALA 24 1167 ? A -13.847 -15.601 -23.096 1.000 1 A 28.152 1 ATOM 160 C C . ALA 24 1167 ? A -14.210 -14.415 -23.985 1.000 1 A 28.152 1 ATOM 161 O O . ALA 24 1167 ? A -15.330 -13.902 -23.920 1.000 1 A 28.152 1 ATOM 162 C CB . ALA 24 1167 ? A -14.840 -16.742 -23.303 1.000 1 A 28.152 1 ATOM 163 N N . ASN 25 1168 ? A -13.417 -13.294 -24.021 1.000 1 A 31.344 1 ATOM 164 C CA . ASN 25 1168 ? A -13.468 -12.547 -25.274 1.000 1 A 31.344 1 ATOM 165 C C . ASN 25 1168 ? A -12.647 -13.228 -26.366 1.000 1 A 31.344 1 ATOM 166 O O . ASN 25 1168 ? A -11.460 -13.500 -26.177 1.000 1 A 31.344 1 ATOM 167 C CB . ASN 25 1168 ? A -12.984 -11.111 -25.063 1.000 1 A 31.344 1 ATOM 168 C CG . ASN 25 1168 ? A -14.045 -10.221 -24.447 1.000 1 A 31.344 1 ATOM 169 O OD1 . ASN 25 1168 ? A -15.242 -10.509 -24.536 1.000 1 A 31.344 1 ATOM 170 N ND2 . ASN 25 1168 ? A -13.615 -9.135 -23.817 1.000 1 A 31.344 1 ATOM 171 N N . ALA 26 1169 ? A -13.099 -14.331 -27.006 1.000 1 A 27.059 1 ATOM 172 C CA . ALA 26 1169 ? A -13.524 -14.605 -28.377 1.000 1 A 27.059 1 ATOM 173 C C . ALA 26 1169 ? A -12.575 -13.964 -29.384 1.000 1 A 27.059 1 ATOM 174 O O . ALA 26 1169 ? A -12.247 -12.780 -29.272 1.000 1 A 27.059 1 ATOM 175 C CB . ALA 26 1169 ? A -14.950 -14.107 -28.601 1.000 1 A 27.059 1 ATOM 176 N N . ALA 27 1170 ? A -11.458 -14.607 -29.723 1.000 1 A 31.972 1 ATOM 177 C CA . ALA 27 1170 ? A -11.220 -14.996 -31.111 1.000 1 A 31.972 1 ATOM 178 C C . ALA 27 1170 ? A -11.722 -13.924 -32.074 1.000 1 A 31.972 1 ATOM 179 O O . ALA 27 1170 ? A -11.991 -14.209 -33.244 1.000 1 A 31.972 1 ATOM 180 C CB . ALA 27 1170 ? A -11.890 -16.334 -31.411 1.000 1 A 31.972 1 ATOM 181 N N . ASP 28 1171 ? A -11.238 -12.649 -31.900 1.000 1 A 28.054 1 ATOM 182 C CA . ASP 28 1171 ? A -11.145 -11.814 -33.094 1.000 1 A 28.054 1 ATOM 183 C C . ASP 28 1171 ? A -9.955 -10.861 -33.006 1.000 1 A 28.054 1 ATOM 184 O O . ASP 28 1171 ? A -10.082 -9.673 -33.312 1.000 1 A 28.054 1 ATOM 185 C CB . ASP 28 1171 ? A -12.439 -11.024 -33.299 1.000 1 A 28.054 1 ATOM 186 C CG . ASP 28 1171 ? A -13.451 -11.757 -34.161 1.000 1 A 28.054 1 ATOM 187 O OD1 . ASP 28 1171 ? A -13.062 -12.684 -34.905 1.000 1 A 28.054 1 ATOM 188 O OD2 . ASP 28 1171 ? A -14.648 -11.403 -34.099 1.000 1 A 28.054 1 ATOM 189 N N . ALA 29 1172 ? A -8.774 -11.388 -32.815 1.000 1 A 29.999 1 ATOM 190 C CA . ALA 29 1172 ? A -7.819 -10.459 -33.413 1.000 1 A 29.999 1 ATOM 191 C C . ALA 29 1172 ? A -6.634 -11.205 -34.019 1.000 1 A 29.999 1 ATOM 192 O O . ALA 29 1172 ? A -5.480 -10.923 -33.689 1.000 1 A 29.999 1 ATOM 193 C CB . ALA 29 1172 ? A -7.334 -9.453 -32.372 1.000 1 A 29.999 1 ATOM 194 N N . GLU 30 1173 ? A -6.876 -12.353 -34.602 1.000 1 A 27.880 1 ATOM 195 C CA . GLU 30 1173 ? A -6.117 -12.923 -35.711 1.000 1 A 27.880 1 ATOM 196 C C . GLU 30 1173 ? A -6.378 -12.161 -37.007 1.000 1 A 27.880 1 ATOM 197 O O . GLU 30 1173 ? A -7.511 -12.117 -37.490 1.000 1 A 27.880 1 ATOM 198 C CB . GLU 30 1173 ? A -6.460 -14.404 -35.893 1.000 1 A 27.880 1 ATOM 199 C CG . GLU 30 1173 ? A -5.249 -15.325 -35.857 1.000 1 A 27.880 1 ATOM 200 C CD . GLU 30 1173 ? A -5.618 -16.797 -35.767 1.000 1 A 27.880 1 ATOM 201 O OE1 . GLU 30 1173 ? A -4.703 -17.652 -35.758 1.000 1 A 27.880 1 ATOM 202 O OE2 . GLU 30 1173 ? A -6.831 -17.098 -35.707 1.000 1 A 27.880 1 ATOM 203 N N . ALA 31 1174 ? A -5.958 -10.899 -37.125 1.000 1 A 28.932 1 ATOM 204 C CA . ALA 31 1174 ? A -5.551 -10.396 -38.434 1.000 1 A 28.932 1 ATOM 205 C C . ALA 31 1174 ? A -4.839 -9.052 -38.308 1.000 1 A 28.932 1 ATOM 206 O O . ALA 31 1174 ? A -5.433 -8.067 -37.864 1.000 1 A 28.932 1 ATOM 207 C CB . ALA 31 1174 ? A -6.761 -10.269 -39.356 1.000 1 A 28.932 1 ATOM 208 N N . VAL 32 1175 ? A -3.653 -9.024 -37.796 1.000 1 A 29.325 1 ATOM 209 C CA . VAL 32 1175 ? A -2.841 -8.050 -38.517 1.000 1 A 29.325 1 ATOM 210 C C . VAL 32 1175 ? A -1.359 -8.340 -38.286 1.000 1 A 29.325 1 ATOM 211 O O . VAL 32 1175 ? A -0.894 -8.355 -37.143 1.000 1 A 29.325 1 ATOM 212 C CB . VAL 32 1175 ? A -3.174 -6.603 -38.087 1.000 1 A 29.325 1 ATOM 213 C CG1 . VAL 32 1175 ? A -2.197 -5.614 -38.720 1.000 1 A 29.325 1 ATOM 214 C CG2 . VAL 32 1175 ? A -4.612 -6.254 -38.463 1.000 1 A 29.325 1 ATOM 215 N N . ARG 33 1176 ? A -0.831 -9.453 -38.767 1.000 1 A 25.457 1 ATOM 216 C CA . ARG 33 1176 ? A 0.417 -9.659 -39.495 1.000 1 A 25.457 1 ATOM 217 C C . ARG 33 1176 ? A 0.682 -8.511 -40.463 1.000 1 A 25.457 1 ATOM 218 O O . ARG 33 1176 ? A -0.100 -8.276 -41.386 1.000 1 A 25.457 1 ATOM 219 C CB . ARG 33 1176 ? A 0.383 -10.987 -40.255 1.000 1 A 25.457 1 ATOM 220 C CG . ARG 33 1176 ? A 1.367 -12.021 -39.731 1.000 1 A 25.457 1 ATOM 221 C CD . ARG 33 1176 ? A 1.338 -13.298 -40.560 1.000 1 A 25.457 1 ATOM 222 N NE . ARG 33 1176 ? A 1.448 -14.488 -39.721 1.000 1 A 25.457 1 ATOM 223 C CZ . ARG 33 1176 ? A 2.132 -15.582 -40.044 1.000 1 A 25.457 1 ATOM 224 N NH1 . ARG 33 1176 ? A 2.784 -15.659 -41.198 1.000 1 A 25.457 1 ATOM 225 N NH2 . ARG 33 1176 ? A 2.166 -16.608 -39.205 1.000 1 A 25.457 1 ATOM 226 N N . GLY 34 1177 ? A 1.251 -7.407 -40.036 1.000 1 A 25.878 1 ATOM 227 C CA . GLY 34 1177 ? A 2.110 -6.608 -40.895 1.000 1 A 25.878 1 ATOM 228 C C . GLY 34 1177 ? A 3.137 -5.798 -40.126 1.000 1 A 25.878 1 ATOM 229 O O . GLY 34 1177 ? A 2.814 -5.185 -39.107 1.000 1 A 25.878 1 ATOM 230 N N . ALA 35 1178 ? A 4.348 -6.287 -39.892 1.000 1 A 26.607 1 ATOM 231 C CA . ALA 35 1178 ? A 5.676 -5.796 -40.252 1.000 1 A 26.607 1 ATOM 232 C C . ALA 35 1178 ? A 5.687 -4.274 -40.360 1.000 1 A 26.607 1 ATOM 233 O O . ALA 35 1178 ? A 4.965 -3.698 -41.177 1.000 1 A 26.607 1 ATOM 234 C CB . ALA 35 1178 ? A 6.138 -6.424 -41.565 1.000 1 A 26.607 1 ATOM 235 N N . GLN 36 1179 ? A 5.980 -3.559 -39.295 1.000 1 A 27.997 1 ATOM 236 C CA . GLN 36 1179 ? A 6.696 -2.293 -39.415 1.000 1 A 27.997 1 ATOM 237 C C . GLN 36 1179 ? A 7.668 -2.098 -38.256 1.000 1 A 27.997 1 ATOM 238 O O . GLN 36 1179 ? A 7.278 -2.186 -37.090 1.000 1 A 27.997 1 ATOM 239 C CB . GLN 36 1179 ? A 5.712 -1.123 -39.478 1.000 1 A 27.997 1 ATOM 240 C CG . GLN 36 1179 ? A 5.103 -0.905 -40.856 1.000 1 A 27.997 1 ATOM 241 C CD . GLN 36 1179 ? A 4.211 0.321 -40.916 1.000 1 A 27.997 1 ATOM 242 O OE1 . GLN 36 1179 ? A 4.019 1.015 -39.913 1.000 1 A 27.997 1 ATOM 243 N NE2 . GLN 36 1179 ? A 3.659 0.595 -42.093 1.000 1 A 27.997 1 ATOM 244 N N . ASP 37 1180 ? A 8.911 -2.443 -38.455 1.000 1 A 24.630 1 ATOM 245 C CA . ASP 37 1180 ? A 10.216 -1.800 -38.572 1.000 1 A 24.630 1 ATOM 246 C C . ASP 37 1180 ? A 10.073 -0.344 -39.009 1.000 1 A 24.630 1 ATOM 247 O O . ASP 37 1180 ? A 9.426 -0.054 -40.018 1.000 1 A 24.630 1 ATOM 248 C CB . ASP 37 1180 ? A 11.102 -2.561 -39.560 1.000 1 A 24.630 1 ATOM 249 C CG . ASP 37 1180 ? A 12.020 -3.564 -38.882 1.000 1 A 24.630 1 ATOM 250 O OD1 . ASP 37 1180 ? A 12.251 -3.449 -37.659 1.000 1 A 24.630 1 ATOM 251 O OD2 . ASP 37 1180 ? A 12.517 -4.475 -39.578 1.000 1 A 24.630 1 ATOM 252 N N . VAL 38 1181 ? A 10.194 0.657 -38.054 1.000 1 A 28.756 1 ATOM 253 C CA . VAL 38 1181 ? A 10.809 1.974 -38.183 1.000 1 A 28.756 1 ATOM 254 C C . VAL 38 1181 ? A 10.779 2.693 -36.836 1.000 1 A 28.756 1 ATOM 255 O O . VAL 38 1181 ? A 9.738 2.746 -36.177 1.000 1 A 28.756 1 ATOM 256 C CB . VAL 38 1181 ? A 10.101 2.828 -39.258 1.000 1 A 28.756 1 ATOM 257 C CG1 . VAL 38 1181 ? A 10.670 4.246 -39.283 1.000 1 A 28.756 1 ATOM 258 C CG2 . VAL 38 1181 ? A 10.232 2.172 -40.632 1.000 1 A 28.756 1 ATOM 259 N N . ALA 39 1182 ? A 11.872 2.825 -36.108 1.000 1 A 26.092 1 ATOM 260 C CA . ALA 39 1182 ? A 12.755 3.975 -35.930 1.000 1 A 26.092 1 ATOM 261 C C . ALA 39 1182 ? A 12.060 5.084 -35.146 1.000 1 A 26.092 1 ATOM 262 O O . ALA 39 1182 ? A 10.926 5.456 -35.457 1.000 1 A 26.092 1 ATOM 263 C CB . ALA 39 1182 ? A 13.225 4.499 -37.284 1.000 1 A 26.092 1 ATOM 264 N N . GLY 40 1183 ? A 12.345 5.285 -33.838 1.000 1 A 25.352 1 ATOM 265 C CA . GLY 40 1183 ? A 12.826 6.548 -33.300 1.000 1 A 25.352 1 ATOM 266 C C . GLY 40 1183 ? A 11.819 7.233 -32.395 1.000 1 A 25.352 1 ATOM 267 O O . GLY 40 1183 ? A 10.777 7.701 -32.860 1.000 1 A 25.352 1 ATOM 268 N N . GLY 41 1184 ? A 11.719 6.876 -31.149 1.000 1 A 25.946 1 ATOM 269 C CA . GLY 41 1184 ? A 11.289 7.941 -30.256 1.000 1 A 25.946 1 ATOM 270 C C . GLY 41 1184 ? A 11.840 7.801 -28.850 1.000 1 A 25.946 1 ATOM 271 O O . GLY 41 1184 ? A 11.843 6.705 -28.286 1.000 1 A 25.946 1 ATOM 272 N N . SER 42 1185 ? A 13.095 8.227 -28.660 1.000 1 A 26.247 1 ATOM 273 C CA . SER 42 1185 ? A 13.820 9.078 -27.723 1.000 1 A 26.247 1 ATOM 274 C C . SER 42 1185 ? A 12.991 9.357 -26.474 1.000 1 A 26.247 1 ATOM 275 O O . SER 42 1185 ? A 11.859 9.837 -26.568 1.000 1 A 26.247 1 ATOM 276 C CB . SER 42 1185 ? A 14.212 10.398 -28.390 1.000 1 A 26.247 1 ATOM 277 O OG . SER 42 1185 ? A 15.267 10.200 -29.315 1.000 1 A 26.247 1 ATOM 278 N N . ASN 43 1186 ? A 12.960 8.495 -25.525 1.000 1 A 30.414 1 ATOM 279 C CA . ASN 43 1186 ? A 12.659 8.863 -24.145 1.000 1 A 30.414 1 ATOM 280 C C . ASN 43 1186 ? A 13.679 9.856 -23.594 1.000 1 A 30.414 1 ATOM 281 O O . ASN 43 1186 ? A 14.883 9.690 -23.795 1.000 1 A 30.414 1 ATOM 282 C CB . ASN 43 1186 ? A 12.598 7.617 -23.259 1.000 1 A 30.414 1 ATOM 283 C CG . ASN 43 1186 ? A 11.327 6.817 -23.461 1.000 1 A 30.414 1 ATOM 284 O OD1 . ASN 43 1186 ? A 10.279 7.371 -23.805 1.000 1 A 30.414 1 ATOM 285 N ND2 . ASN 43 1186 ? A 11.409 5.509 -23.251 1.000 1 A 30.414 1 ATOM 286 N N . PRO 44 1187 ? A 13.383 11.111 -23.325 1.000 1 A 29.669 1 ATOM 287 C CA . PRO 44 1187 ? A 14.248 12.023 -22.574 1.000 1 A 29.669 1 ATOM 288 C C . PRO 44 1187 ? A 14.328 11.673 -21.089 1.000 1 A 29.669 1 ATOM 289 O O . PRO 44 1187 ? A 13.343 11.212 -20.507 1.000 1 A 29.669 1 ATOM 290 C CB . PRO 44 1187 ? A 13.584 13.387 -22.778 1.000 1 A 29.669 1 ATOM 291 C CG . PRO 44 1187 ? A 12.146 13.077 -23.038 1.000 1 A 29.669 1 ATOM 292 C CD . PRO 44 1187 ? A 11.975 11.585 -23.053 1.000 1 A 29.669 1 ATOM 293 N N . GLY 45 1188 ? A 15.434 11.039 -20.631 1.000 1 A 24.633 1 ATOM 294 C CA . GLY 45 1188 ? A 16.334 11.510 -19.590 1.000 1 A 24.633 1 ATOM 295 C C . GLY 45 1188 ? A 15.994 10.965 -18.216 1.000 1 A 24.633 1 ATOM 296 O O . GLY 45 1188 ? A 14.945 11.289 -17.655 1.000 1 A 24.633 1 ATOM 297 N N . ALA 46 1189 ? A 16.321 9.756 -17.955 1.000 1 A 28.532 1 ATOM 298 C CA . ALA 46 1189 ? A 16.804 9.533 -16.595 1.000 1 A 28.532 1 ATOM 299 C C . ALA 46 1189 ? A 18.063 8.670 -16.594 1.000 1 A 28.532 1 ATOM 300 O O . ALA 46 1189 ? A 18.116 7.638 -17.267 1.000 1 A 28.532 1 ATOM 301 C CB . ALA 46 1189 ? A 15.717 8.881 -15.744 1.000 1 A 28.532 1 ATOM 302 N N . HIS 47 1190 ? A 19.213 9.216 -17.025 1.000 1 A 25.697 1 ATOM 303 C CA . HIS 47 1190 ? A 20.614 9.002 -16.678 1.000 1 A 25.697 1 ATOM 304 C C . HIS 47 1190 ? A 20.773 7.818 -15.730 1.000 1 A 25.697 1 ATOM 305 O O . HIS 47 1190 ? A 20.075 7.730 -14.717 1.000 1 A 25.697 1 ATOM 306 C CB . HIS 47 1190 ? A 21.207 10.263 -16.046 1.000 1 A 25.697 1 ATOM 307 C CG . HIS 47 1190 ? A 21.731 11.245 -17.046 1.000 1 A 25.697 1 ATOM 308 N ND1 . HIS 47 1190 ? A 22.736 10.936 -17.937 1.000 1 A 25.697 1 ATOM 309 C CD2 . HIS 47 1190 ? A 21.385 12.530 -17.295 1.000 1 A 25.697 1 ATOM 310 C CE1 . HIS 47 1190 ? A 22.986 11.992 -18.692 1.000 1 A 25.697 1 ATOM 311 N NE2 . HIS 47 1190 ? A 22.180 12.973 -18.323 1.000 1 A 25.697 1 ATOM 312 N N . ASN 48 1191 ? A 21.044 6.657 -16.240 1.000 1 A 28.501 1 ATOM 313 C CA . ASN 48 1191 ? A 21.850 5.513 -15.829 1.000 1 A 28.501 1 ATOM 314 C C . ASN 48 1191 ? A 23.082 5.949 -15.041 1.000 1 A 28.501 1 ATOM 315 O O . ASN 48 1191 ? A 23.915 6.702 -15.550 1.000 1 A 28.501 1 ATOM 316 C CB . ASN 48 1191 ? A 22.265 4.683 -17.046 1.000 1 A 28.501 1 ATOM 317 C CG . ASN 48 1191 ? A 21.509 3.372 -17.144 1.000 1 A 28.501 1 ATOM 318 O OD1 . ASN 48 1191 ? A 20.757 3.006 -16.237 1.000 1 A 28.501 1 ATOM 319 N ND2 . ASN 48 1191 ? A 21.702 2.657 -18.246 1.000 1 A 28.501 1 ATOM 320 N N . PRO 49 1192 ? A 23.139 5.775 -13.748 1.000 1 A 31.798 1 ATOM 321 C CA . PRO 49 1192 ? A 24.550 5.590 -13.400 1.000 1 A 31.798 1 ATOM 322 C C . PRO 49 1192 ? A 24.912 4.126 -13.160 1.000 1 A 31.798 1 ATOM 323 O O . PRO 49 1192 ? A 24.083 3.354 -12.670 1.000 1 A 31.798 1 ATOM 324 C CB . PRO 49 1192 ? A 24.708 6.409 -12.117 1.000 1 A 31.798 1 ATOM 325 C CG . PRO 49 1192 ? A 23.352 6.397 -11.487 1.000 1 A 31.798 1 ATOM 326 C CD . PRO 49 1192 ? A 22.395 5.724 -12.429 1.000 1 A 31.798 1 ATOM 327 N N . SER 50 1193 ? A 25.270 3.408 -14.183 1.000 1 A 28.257 1 ATOM 328 C CA . SER 50 1193 ? A 26.367 2.449 -14.265 1.000 1 A 28.257 1 ATOM 329 C C . SER 50 1193 ? A 27.104 2.336 -12.935 1.000 1 A 28.257 1 ATOM 330 O O . SER 50 1193 ? A 27.384 3.347 -12.287 1.000 1 A 28.257 1 ATOM 331 C CB . SER 50 1193 ? A 27.347 2.849 -15.368 1.000 1 A 28.257 1 ATOM 332 O OG . SER 50 1193 ? A 26.916 2.361 -16.627 1.000 1 A 28.257 1 ATOM 333 N N . ALA 51 1194 ? A 26.889 1.295 -12.132 1.000 1 A 29.489 1 ATOM 334 C CA . ALA 51 1194 ? A 27.712 0.193 -11.641 1.000 1 A 29.489 1 ATOM 335 C C . ALA 51 1194 ? A 29.015 0.709 -11.037 1.000 1 A 29.489 1 ATOM 336 O O . ALA 51 1194 ? A 29.880 1.218 -11.753 1.000 1 A 29.489 1 ATOM 337 C CB . ALA 51 1194 ? A 28.006 -0.794 -12.768 1.000 1 A 29.489 1 ATOM 338 N N . ASN 52 1195 ? A 28.985 1.355 -9.889 1.000 1 A 27.714 1 ATOM 339 C CA . ASN 52 1195 ? A 30.187 1.281 -9.065 1.000 1 A 27.714 1 ATOM 340 C C . ASN 52 1195 ? A 29.844 1.195 -7.580 1.000 1 A 27.714 1 ATOM 341 O O . ASN 52 1195 ? A 29.277 2.131 -7.014 1.000 1 A 27.714 1 ATOM 342 C CB . ASN 52 1195 ? A 31.096 2.482 -9.331 1.000 1 A 27.714 1 ATOM 343 C CG . ASN 52 1195 ? A 32.066 2.240 -10.471 1.000 1 A 27.714 1 ATOM 344 O OD1 . ASN 52 1195 ? A 32.404 1.094 -10.781 1.000 1 A 27.714 1 ATOM 345 N ND2 . ASN 52 1195 ? A 32.520 3.316 -11.102 1.000 1 A 27.714 1 ATOM 346 N N . LEU 53 1196 ? A 29.540 0.027 -6.950 1.000 1 A 30.567 1 ATOM 347 C CA . LEU 53 1196 ? A 29.967 -0 -5.555 1.000 1 A 30.567 1 ATOM 348 C C . LEU 53 1196 ? A 30.397 -1.405 -5.146 1.000 1 A 30.567 1 ATOM 349 O O . LEU 53 1196 ? A 29.590 -2.338 -5.171 1.000 1 A 30.567 1 ATOM 350 C CB . LEU 53 1196 ? A 28.842 0.489 -4.640 1.000 1 A 30.567 1 ATOM 351 C CG . LEU 53 1196 ? A 28.570 1.994 -4.644 1.000 1 A 30.567 1 ATOM 352 C CD1 . LEU 53 1196 ? A 27.226 2.292 -3.988 1.000 1 A 30.567 1 ATOM 353 C CD2 . LEU 53 1196 ? A 29.694 2.743 -3.937 1.000 1 A 30.567 1 ATOM 354 N N . ALA 54 1197 ? A 31.610 -1.823 -5.519 1.000 1 A 28.827 1 ATOM 355 C CA . ALA 54 1197 ? A 32.760 -2.399 -4.825 1.000 1 A 28.827 1 ATOM 356 C C . ALA 54 1197 ? A 32.921 -1.791 -3.434 1.000 1 A 28.827 1 ATOM 357 O O . ALA 54 1197 ? A 32.893 -0.568 -3.277 1.000 1 A 28.827 1 ATOM 358 C CB . ALA 54 1197 ? A 34.033 -2.194 -5.642 1.000 1 A 28.827 1 ATOM 359 N N . ARG 55 1198 ? A 32.572 -2.466 -2.330 1.000 1 A 28.374 1 ATOM 360 C CA . ARG 55 1198 ? A 33.415 -2.821 -1.193 1.000 1 A 28.374 1 ATOM 361 C C . ARG 55 1198 ? A 33.198 -1.861 -0.029 1.000 1 A 28.374 1 ATOM 362 O O . ARG 55 1198 ? A 33.370 -0.649 -0.177 1.000 1 A 28.374 1 ATOM 363 C CB . ARG 55 1198 ? A 34.891 -2.828 -1.599 1.000 1 A 28.374 1 ATOM 364 C CG . ARG 55 1198 ? A 35.822 -3.372 -0.528 1.000 1 A 28.374 1 ATOM 365 C CD . ARG 55 1198 ? A 37.264 -3.433 -1.012 1.000 1 A 28.374 1 ATOM 366 N NE . ARG 55 1198 ? A 38.018 -4.481 -0.330 1.000 1 A 28.374 1 ATOM 367 C CZ . ARG 55 1198 ? A 39.301 -4.394 0.008 1.000 1 A 28.374 1 ATOM 368 N NH1 . ARG 55 1198 ? A 40.002 -3.300 -0.267 1.000 1 A 28.374 1 ATOM 369 N NH2 . ARG 55 1198 ? A 39.889 -5.408 0.627 1.000 1 A 28.374 1 ATOM 370 N N . GLY 56 1199 ? A 32.351 -2.217 0.932 1.000 1 A 28.131 1 ATOM 371 C CA . GLY 56 1199 ? A 32.691 -1.913 2.313 1.000 1 A 28.131 1 ATOM 372 C C . GLY 56 1199 ? A 31.573 -2.234 3.287 1.000 1 A 28.131 1 ATOM 373 O O . GLY 56 1199 ? A 30.402 -1.971 3.006 1.000 1 A 28.131 1 ATOM 374 N N . ASP 57 1200 ? A 31.687 -3.380 4.035 1.000 1 A 28.875 1 ATOM 375 C CA . ASP 57 1200 ? A 31.858 -3.706 5.447 1.000 1 A 28.875 1 ATOM 376 C C . ASP 57 1200 ? A 30.508 -3.872 6.140 1.000 1 A 28.875 1 ATOM 377 O O . ASP 57 1200 ? A 29.638 -3.004 6.034 1.000 1 A 28.875 1 ATOM 378 C CB . ASP 57 1200 ? A 32.682 -2.626 6.152 1.000 1 A 28.875 1 ATOM 379 C CG . ASP 57 1200 ? A 34.179 -2.832 6.006 1.000 1 A 28.875 1 ATOM 380 O OD1 . ASP 57 1200 ? A 34.608 -3.945 5.631 1.000 1 A 28.875 1 ATOM 381 O OD2 . ASP 57 1200 ? A 34.937 -1.874 6.271 1.000 1 A 28.875 1 ATOM 382 N N . ASN 58 1201 ? A 30.110 -5.118 6.370 1.000 1 A 30.297 1 ATOM 383 C CA . ASN 58 1201 ? A 29.807 -5.949 7.530 1.000 1 A 30.297 1 ATOM 384 C C . ASN 58 1201 ? A 29.718 -5.119 8.808 1.000 1 A 30.297 1 ATOM 385 O O . ASN 58 1201 ? A 30.667 -4.420 9.167 1.000 1 A 30.297 1 ATOM 386 C CB . ASN 58 1201 ? A 30.855 -7.053 7.687 1.000 1 A 30.297 1 ATOM 387 C CG . ASN 58 1201 ? A 30.603 -8.232 6.768 1.000 1 A 30.297 1 ATOM 388 O OD1 . ASN 58 1201 ? A 29.551 -8.323 6.129 1.000 1 A 30.297 1 ATOM 389 N ND2 . ASN 58 1201 ? A 31.567 -9.143 6.694 1.000 1 A 30.297 1 ATOM 390 N N . GLN 59 1202 ? A 28.542 -4.825 9.303 1.000 1 A 26.607 1 ATOM 391 C CA . GLN 59 1202 ? A 28.260 -4.840 10.735 1.000 1 A 26.607 1 ATOM 392 C C . GLN 59 1202 ? A 26.862 -4.303 11.026 1.000 1 A 26.607 1 ATOM 393 O O . GLN 59 1202 ? A 26.481 -3.244 10.524 1.000 1 A 26.607 1 ATOM 394 C CB . GLN 59 1202 ? A 29.305 -4.023 11.497 1.000 1 A 26.607 1 ATOM 395 C CG . GLN 59 1202 ? A 29.995 -4.795 12.613 1.000 1 A 26.607 1 ATOM 396 C CD . GLN 59 1202 ? A 31.194 -4.060 13.182 1.000 1 A 26.607 1 ATOM 397 O OE1 . GLN 59 1202 ? A 31.381 -2.864 12.934 1.000 1 A 26.607 1 ATOM 398 N NE2 . GLN 59 1202 ? A 32.016 -4.769 13.947 1.000 1 A 26.607 1 ATOM 399 N N . ALA 60 1203 ? A 25.848 -5.178 11.352 1.000 1 A 28.035 1 ATOM 400 C CA . ALA 60 1203 ? A 25.203 -5.174 12.663 1.000 1 A 28.035 1 ATOM 401 C C . ALA 60 1203 ? A 23.688 -5.047 12.528 1.000 1 A 28.035 1 ATOM 402 O O . ALA 60 1203 ? A 23.194 -4.181 11.802 1.000 1 A 28.035 1 ATOM 403 C CB . ALA 60 1203 ? A 25.755 -4.040 13.523 1.000 1 A 28.035 1 ATOM 404 N N . GLY 61 1204 ? A 22.940 -6.181 12.532 1.000 1 A 27.337 1 ATOM 405 C CA . GLY 61 1204 ? A 21.919 -6.440 13.535 1.000 1 A 27.337 1 ATOM 406 C C . GLY 61 1204 ? A 20.954 -5.284 13.717 1.000 1 A 27.337 1 ATOM 407 O O . GLY 61 1204 ? A 21.353 -4.195 14.133 1.000 1 A 27.337 1 ATOM 408 N N . GLY 62 1205 ? A 19.913 -5.080 12.902 1.000 1 A 27.934 1 ATOM 409 C CA . GLY 62 1205 ? A 18.894 -4.164 13.387 1.000 1 A 27.934 1 ATOM 410 C C . GLY 62 1205 ? A 17.560 -4.329 12.684 1.000 1 A 27.934 1 ATOM 411 O O . GLY 62 1205 ? A 17.515 -4.580 11.478 1.000 1 A 27.934 1 ATOM 412 N N . ALA 63 1206 ? A 16.656 -5.204 13.157 1.000 1 A 32.010 1 ATOM 413 C CA . ALA 63 1206 ? A 15.223 -5.058 13.400 1.000 1 A 32.010 1 ATOM 414 C C . ALA 63 1206 ? A 14.483 -4.701 12.114 1.000 1 A 32.010 1 ATOM 415 O O . ALA 63 1206 ? A 14.912 -3.817 11.368 1.000 1 A 32.010 1 ATOM 416 C CB . ALA 63 1206 ? A 14.969 -3.998 14.468 1.000 1 A 32.010 1 ATOM 417 N N . ALA 64 1207 ? A 14.127 -5.677 11.259 1.000 1 A 37.038 1 ATOM 418 C CA . ALA 64 1207 ? A 13.026 -5.803 10.306 1.000 1 A 37.038 1 ATOM 419 C C . ALA 64 1207 ? A 12.344 -4.457 10.075 1.000 1 A 37.038 1 ATOM 420 O O . ALA 64 1207 ? A 11.913 -3.802 11.027 1.000 1 A 37.038 1 ATOM 421 C CB . ALA 64 1207 ? A 12.012 -6.833 10.797 1.000 1 A 37.038 1 ATOM 422 N N . ALA 65 1208 ? A 12.936 -3.417 9.505 1.000 1 A 39.433 1 ATOM 423 C CA . ALA 65 1208 ? A 12.292 -2.164 9.120 1.000 1 A 39.433 1 ATOM 424 C C . ALA 65 1208 ? A 10.894 -2.414 8.560 1.000 1 A 39.433 1 ATOM 425 O O . ALA 65 1208 ? A 10.744 -3.030 7.502 1.000 1 A 39.433 1 ATOM 426 C CB . ALA 65 1208 ? A 13.146 -1.419 8.097 1.000 1 A 39.433 1 ATOM 427 N N . ALA 66 1209 ? A 9.977 -3.107 9.279 1.000 1 A 50.588 1 ATOM 428 C CA . ALA 66 1209 ? A 8.545 -3.016 9.005 1.000 1 A 50.588 1 ATOM 429 C C . ALA 66 1209 ? A 8.198 -1.692 8.331 1.000 1 A 50.588 1 ATOM 430 O O . ALA 66 1209 ? A 8.761 -0.649 8.672 1.000 1 A 50.588 1 ATOM 431 C CB . ALA 66 1209 ? A 7.745 -3.179 10.296 1.000 1 A 50.588 1 ATOM 432 N N . ALA 67 1210 ? A 8.126 -1.541 7.013 1.000 1 A 58.110 1 ATOM 433 C CA . ALA 67 1210 ? A 7.524 -0.387 6.349 1.000 1 A 58.110 1 ATOM 434 C C . ALA 67 1210 ? A 6.664 0.417 7.319 1.000 1 A 58.110 1 ATOM 435 O O . ALA 67 1210 ? A 5.750 -0.125 7.945 1.000 1 A 58.110 1 ATOM 436 C CB . ALA 67 1210 ? A 6.691 -0.838 5.152 1.000 1 A 58.110 1 ATOM 437 N N . ALA 68 1211 ? A 7.190 1.388 7.930 1.000 1 A 71.243 1 ATOM 438 C CA . ALA 68 1211 ? A 6.548 2.320 8.854 1.000 1 A 71.243 1 ATOM 439 C C . ALA 68 1211 ? A 5.178 2.750 8.336 1.000 1 A 71.243 1 ATOM 440 O O . ALA 68 1211 ? A 5.006 2.982 7.137 1.000 1 A 71.243 1 ATOM 441 C CB . ALA 68 1211 ? A 7.435 3.542 9.079 1.000 1 A 71.243 1 ATOM 442 N N . ALA 69 1212 ? A 4.150 2.401 9.014 1.000 1 A 80.955 1 ATOM 443 C CA . ALA 69 1212 ? A 2.786 2.865 8.770 1.000 1 A 80.955 1 ATOM 444 C C . ALA 69 1212 ? A 2.766 4.353 8.432 1.000 1 A 80.955 1 ATOM 445 O O . ALA 69 1212 ? A 3.537 5.134 8.995 1.000 1 A 80.955 1 ATOM 446 C CB . ALA 69 1212 ? A 1.903 2.585 9.983 1.000 1 A 80.955 1 ATOM 447 N N . PRO 70 1213 ? A 2.018 4.696 7.345 1.000 1 A 85.251 1 ATOM 448 C CA . PRO 70 1213 ? A 1.826 6.132 7.131 1.000 1 A 85.251 1 ATOM 449 C C . PRO 70 1213 ? A 1.209 6.832 8.341 1.000 1 A 85.251 1 ATOM 450 O O . PRO 70 1213 ? A 0.516 6.196 9.139 1.000 1 A 85.251 1 ATOM 451 C CB . PRO 70 1213 ? A 0.880 6.186 5.929 1.000 1 A 85.251 1 ATOM 452 C CG . PRO 70 1213 ? A 0.157 4.879 5.952 1.000 1 A 85.251 1 ATOM 453 C CD . PRO 70 1213 ? A 1.052 3.849 6.581 1.000 1 A 85.251 1 ATOM 454 N N . GLU 71 1214 ? A 1.658 8.051 8.549 1.000 1 A 86.668 1 ATOM 455 C CA . GLU 71 1214 ? A 1.091 8.831 9.645 1.000 1 A 86.668 1 ATOM 456 C C . GLU 71 1214 ? A -0.386 9.131 9.403 1.000 1 A 86.668 1 ATOM 457 O O . GLU 71 1214 ? A -0.781 9.466 8.284 1.000 1 A 86.668 1 ATOM 458 C CB . GLU 71 1214 ? A 1.868 10.136 9.835 1.000 1 A 86.668 1 ATOM 459 C CG . GLU 71 1214 ? A 3.266 9.942 10.403 1.000 1 A 86.668 1 ATOM 460 C CD . GLU 71 1214 ? A 3.988 11.251 10.683 1.000 1 A 86.668 1 ATOM 461 O OE1 . GLU 71 1214 ? A 5.108 11.219 11.241 1.000 1 A 86.668 1 ATOM 462 O OE2 . GLU 71 1214 ? A 3.428 12.316 10.341 1.000 1 A 86.668 1 ATOM 463 N N . PRO 72 1215 ? A -1.161 8.849 10.446 1.000 1 A 85.951 1 ATOM 464 C CA . PRO 72 1215 ? A -2.558 9.270 10.315 1.000 1 A 85.951 1 ATOM 465 C C . PRO 72 1215 ? A -2.705 10.780 10.144 1.000 1 A 85.951 1 ATOM 466 O O . PRO 72 1215 ? A -1.867 11.545 10.629 1.000 1 A 85.951 1 ATOM 467 C CB . PRO 72 1215 ? A -3.192 8.805 11.628 1.000 1 A 85.951 1 ATOM 468 C CG . PRO 72 1215 ? A -2.043 8.639 12.569 1.000 1 A 85.951 1 ATOM 469 C CD . PRO 72 1215 ? A -0.799 8.390 11.765 1.000 1 A 85.951 1 ATOM 470 N N . PRO 73 1216 ? A -3.607 11.220 9.286 1.000 1 A 84.961 1 ATOM 471 C CA . PRO 73 1216 ? A -3.835 12.659 9.130 1.000 1 A 84.961 1 ATOM 472 C C . PRO 73 1216 ? A -4.211 13.342 10.443 1.000 1 A 84.961 1 ATOM 473 O O . PRO 73 1216 ? A -4.757 12.700 11.343 1.000 1 A 84.961 1 ATOM 474 C CB . PRO 73 1216 ? A -4.991 12.726 8.129 1.000 1 A 84.961 1 ATOM 475 C CG . PRO 73 1216 ? A -5.713 11.427 8.290 1.000 1 A 84.961 1 ATOM 476 C CD . PRO 73 1216 ? A -4.722 10.381 8.712 1.000 1 A 84.961 1 ATOM 477 N N . PRO 74 1217 ? A -3.800 14.618 10.564 1.000 1 A 83.618 1 ATOM 478 C CA . PRO 74 1217 ? A -4.199 15.358 11.764 1.000 1 A 83.618 1 ATOM 479 C C . PRO 74 1217 ? A -5.714 15.486 11.902 1.000 1 A 83.618 1 ATOM 480 O O . PRO 74 1217 ? A -6.425 15.559 10.896 1.000 1 A 83.618 1 ATOM 481 C CB . PRO 74 1217 ? A -3.550 16.730 11.564 1.000 1 A 83.618 1 ATOM 482 C CG . PRO 74 1217 ? A -3.372 16.856 10.085 1.000 1 A 83.618 1 ATOM 483 C CD . PRO 74 1217 ? A -3.202 15.481 9.506 1.000 1 A 83.618 1 ATOM 484 N N . ARG 75 1218 ? A -6.230 15.303 13.138 1.000 1 A 79.287 1 ATOM 485 C CA . ARG 75 1218 ? A -7.651 15.517 13.391 1.000 1 A 79.287 1 ATOM 486 C C . ARG 75 1218 ? A -7.926 16.965 13.782 1.000 1 A 79.287 1 ATOM 487 O O . ARG 75 1218 ? A -7.098 17.607 14.430 1.000 1 A 79.287 1 ATOM 488 C CB . ARG 75 1218 ? A -8.149 14.574 14.489 1.000 1 A 79.287 1 ATOM 489 C CG . ARG 75 1218 ? A -8.228 13.117 14.062 1.000 1 A 79.287 1 ATOM 490 C CD . ARG 75 1218 ? A -9.127 12.307 14.985 1.000 1 A 79.287 1 ATOM 491 N NE . ARG 75 1218 ? A -10.416 12.960 15.193 1.000 1 A 79.287 1 ATOM 492 C CZ . ARG 75 1218 ? A -11.342 12.551 16.055 1.000 1 A 79.287 1 ATOM 493 N NH1 . ARG 75 1218 ? A -11.139 11.478 16.811 1.000 1 A 79.287 1 ATOM 494 N NH2 . ARG 75 1218 ? A -12.481 13.221 16.164 1.000 1 A 79.287 1 ATOM 495 N N . SER 76 1219 ? A -8.998 17.641 13.124 1.000 1 A 70.577 1 ATOM 496 C CA . SER 76 1219 ? A -9.463 18.966 13.522 1.000 1 A 70.577 1 ATOM 497 C C . SER 76 1219 ? A -10.125 18.930 14.895 1.000 1 A 70.577 1 ATOM 498 O O . SER 76 1219 ? A -10.914 18.028 15.187 1.000 1 A 70.577 1 ATOM 499 C CB . SER 76 1219 ? A -10.443 19.523 12.489 1.000 1 A 70.577 1 ATOM 500 O OG . SER 76 1219 ? A -9.822 19.644 11.221 1.000 1 A 70.577 1 ATOM 501 N N . ARG 77 1220 ? A -9.480 19.292 16.037 1.000 1 A 60.384 1 ATOM 502 C CA . ARG 77 1220 ? A -9.990 19.440 17.397 1.000 1 A 60.384 1 ATOM 503 C C . ARG 77 1220 ? A -11.371 20.087 17.396 1.000 1 A 60.384 1 ATOM 504 O O . ARG 77 1220 ? A -11.588 21.099 16.727 1.000 1 A 60.384 1 ATOM 505 C CB . ARG 77 1220 ? A -9.024 20.269 18.246 1.000 1 A 60.384 1 ATOM 506 C CG . ARG 77 1220 ? A -8.547 19.562 19.504 1.000 1 A 60.384 1 ATOM 507 C CD . ARG 77 1220 ? A -7.570 20.419 20.298 1.000 1 A 60.384 1 ATOM 508 N NE . ARG 77 1220 ? A -6.988 19.679 21.414 1.000 1 A 60.384 1 ATOM 509 C CZ . ARG 77 1220 ? A -6.037 20.145 22.218 1.000 1 A 60.384 1 ATOM 510 N NH1 . ARG 77 1220 ? A -5.539 21.364 22.044 1.000 1 A 60.384 1 ATOM 511 N NH2 . ARG 77 1220 ? A -5.579 19.387 23.204 1.000 1 A 60.384 1 ATOM 512 N N . ARG 78 1221 ? A -12.446 19.245 17.500 1.000 1 A 57.527 1 ATOM 513 C CA . ARG 78 1221 ? A -13.806 19.710 17.752 1.000 1 A 57.527 1 ATOM 514 C C . ARG 78 1221 ? A -13.823 20.802 18.817 1.000 1 A 57.527 1 ATOM 515 O O . ARG 78 1221 ? A -13.305 20.609 19.919 1.000 1 A 57.527 1 ATOM 516 C CB . ARG 78 1221 ? A -14.702 18.546 18.181 1.000 1 A 57.527 1 ATOM 517 C CG . ARG 78 1221 ? A -15.450 17.889 17.032 1.000 1 A 57.527 1 ATOM 518 C CD . ARG 78 1221 ? A -16.545 16.957 17.532 1.000 1 A 57.527 1 ATOM 519 N NE . ARG 78 1221 ? A -16.865 15.925 16.549 1.000 1 A 57.527 1 ATOM 520 C CZ . ARG 78 1221 ? A -17.870 15.061 16.657 1.000 1 A 57.527 1 ATOM 521 N NH1 . ARG 78 1221 ? A -18.677 15.088 17.712 1.000 1 A 57.527 1 ATOM 522 N NH2 . ARG 78 1221 ? A -18.071 14.163 15.704 1.000 1 A 57.527 1 ATOM 523 N N . VAL 79 1222 ? A -13.683 22.063 18.510 1.000 1 A 48.776 1 ATOM 524 C CA . VAL 79 1222 ? A -14.129 23.072 19.464 1.000 1 A 48.776 1 ATOM 525 C C . VAL 79 1222 ? A -15.584 22.813 19.849 1.000 1 A 48.776 1 ATOM 526 O O . VAL 79 1222 ? A -16.421 22.537 18.987 1.000 1 A 48.776 1 ATOM 527 C CB . VAL 79 1222 ? A -13.975 24.500 18.893 1.000 1 A 48.776 1 ATOM 528 C CG1 . VAL 79 1222 ? A -14.331 25.545 19.949 1.000 1 A 48.776 1 ATOM 529 C CG2 . VAL 79 1222 ? A -12.553 24.718 18.379 1.000 1 A 48.776 1 ATOM 530 N N . PRO 80 1223 ? A -15.890 22.255 21.106 1.000 1 A 42.399 1 ATOM 531 C CA . PRO 80 1223 ? A -17.284 22.100 21.528 1.000 1 A 42.399 1 ATOM 532 C C . PRO 80 1223 ? A -18.182 23.227 21.023 1.000 1 A 42.399 1 ATOM 533 O O . PRO 80 1223 ? A -17.790 24.397 21.059 1.000 1 A 42.399 1 ATOM 534 C CB . PRO 80 1223 ? A -17.194 22.116 23.056 1.000 1 A 42.399 1 ATOM 535 C CG . PRO 80 1223 ? A -15.747 21.896 23.356 1.000 1 A 42.399 1 ATOM 536 C CD . PRO 80 1223 ? A -14.942 22.327 22.164 1.000 1 A 42.399 1 ATOM 537 N N . ARG 81 1224 ? A -18.903 23.071 19.952 1.000 1 A 38.727 1 ATOM 538 C CA . ARG 81 1224 ? A -19.981 23.943 19.499 1.000 1 A 38.727 1 ATOM 539 C C . ARG 81 1224 ? A -20.815 24.440 20.675 1.000 1 A 38.727 1 ATOM 540 O O . ARG 81 1224 ? A -21.257 23.646 21.508 1.000 1 A 38.727 1 ATOM 541 C CB . ARG 81 1224 ? A -20.875 23.214 18.493 1.000 1 A 38.727 1 ATOM 542 C CG . ARG 81 1224 ? A -21.362 24.093 17.352 1.000 1 A 38.727 1 ATOM 543 C CD . ARG 81 1224 ? A -22.285 23.333 16.410 1.000 1 A 38.727 1 ATOM 544 N NE . ARG 81 1224 ? A -22.360 23.970 15.098 1.000 1 A 38.727 1 ATOM 545 C CZ . ARG 81 1224 ? A -23.066 23.508 14.070 1.000 1 A 38.727 1 ATOM 546 N NH1 . ARG 81 1224 ? A -23.775 22.391 14.182 1.000 1 A 38.727 1 ATOM 547 N NH2 . ARG 81 1224 ? A -23.063 24.168 12.920 1.000 1 A 38.727 1 ATOM 548 N N . PRO 82 1225 ? A -20.632 25.731 21.191 1.000 1 A 37.868 1 ATOM 549 C CA . PRO 82 1225 ? A -21.566 26.185 22.224 1.000 1 A 37.868 1 ATOM 550 C C . PRO 82 1225 ? A -23.027 25.979 21.830 1.000 1 A 37.868 1 ATOM 551 O O . PRO 82 1225 ? A -23.348 25.930 20.639 1.000 1 A 37.868 1 ATOM 552 C CB . PRO 82 1225 ? A -21.243 27.675 22.361 1.000 1 A 37.868 1 ATOM 553 C CG . PRO 82 1225 ? A -20.247 27.951 21.281 1.000 1 A 37.868 1 ATOM 554 C CD . PRO 82 1225 ? A -20.085 26.708 20.453 1.000 1 A 37.868 1 ATOM 555 N N . PRO 83 1226 ? A -23.936 25.344 22.769 1.000 1 A 39.816 1 ATOM 556 C CA . PRO 83 1226 ? A -25.348 25.023 22.545 1.000 1 A 39.816 1 ATOM 557 C C . PRO 83 1226 ? A -26.087 26.118 21.779 1.000 1 A 39.816 1 ATOM 558 O O . PRO 83 1226 ? A -25.842 27.306 22.002 1.000 1 A 39.816 1 ATOM 559 C CB . PRO 83 1226 ? A -25.906 24.876 23.963 1.000 1 A 39.816 1 ATOM 560 C CG . PRO 83 1226 ? A -24.852 25.457 24.850 1.000 1 A 39.816 1 ATOM 561 C CD . PRO 83 1226 ? A -23.629 25.731 24.022 1.000 1 A 39.816 1 ATOM 562 N N . GLU 84 1227 ? A -26.284 25.961 20.506 1.000 1 A 35.005 1 ATOM 563 C CA . GLU 84 1227 ? A -27.136 26.495 19.447 1.000 1 A 35.005 1 ATOM 564 C C . GLU 84 1227 ? A -28.279 27.324 20.023 1.000 1 A 35.005 1 ATOM 565 O O . GLU 84 1227 ? A -29.049 26.838 20.854 1.000 1 A 35.005 1 ATOM 566 C CB . GLU 84 1227 ? A -27.692 25.361 18.582 1.000 1 A 35.005 1 ATOM 567 C CG . GLU 84 1227 ? A -26.749 24.912 17.475 1.000 1 A 35.005 1 ATOM 568 C CD . GLU 84 1227 ? A -27.352 23.853 16.566 1.000 1 A 35.005 1 ATOM 569 O OE1 . GLU 84 1227 ? A -26.870 23.689 15.422 1.000 1 A 35.005 1 ATOM 570 O OE2 . GLU 84 1227 ? A -28.316 23.183 17.000 1.000 1 A 35.005 1 ATOM 571 N N . ARG 85 1228 ? A -28.086 28.601 20.375 1.000 1 A 38.660 1 ATOM 572 C CA . ARG 85 1228 ? A -29.149 29.597 20.463 1.000 1 A 38.660 1 ATOM 573 C C . ARG 85 1228 ? A -29.987 29.617 19.189 1.000 1 A 38.660 1 ATOM 574 O O . ARG 85 1228 ? A -29.445 29.598 18.082 1.000 1 A 38.660 1 ATOM 575 C CB . ARG 85 1228 ? A -28.564 30.986 20.726 1.000 1 A 38.660 1 ATOM 576 C CG . ARG 85 1228 ? A -28.287 31.269 22.194 1.000 1 A 38.660 1 ATOM 577 C CD . ARG 85 1228 ? A -27.896 32.723 22.424 1.000 1 A 38.660 1 ATOM 578 N NE . ARG 85 1228 ? A -27.618 32.990 23.833 1.000 1 A 38.660 1 ATOM 579 C CZ . ARG 85 1228 ? A -27.184 34.152 24.313 1.000 1 A 38.660 1 ATOM 580 N NH1 . ARG 85 1228 ? A -26.969 35.182 23.503 1.000 1 A 38.660 1 ATOM 581 N NH2 . ARG 85 1228 ? A -26.963 34.285 25.612 1.000 1 A 38.660 1 ATOM 582 N N . GLU 86 1229 ? A -31.179 28.948 19.169 1.000 1 A 31.019 1 ATOM 583 C CA . GLU 86 1229 ? A -32.503 29.145 18.588 1.000 1 A 31.019 1 ATOM 584 C C . GLU 86 1229 ? A -32.698 30.589 18.135 1.000 1 A 31.019 1 ATOM 585 O O . GLU 86 1229 ? A -32.463 31.523 18.905 1.000 1 A 31.019 1 ATOM 586 C CB . GLU 86 1229 ? A -33.594 28.757 19.590 1.000 1 A 31.019 1 ATOM 587 C CG . GLU 86 1229 ? A -33.838 27.258 19.683 1.000 1 A 31.019 1 ATOM 588 C CD . GLU 86 1229 ? A -34.962 26.891 20.639 1.000 1 A 31.019 1 ATOM 589 O OE1 . GLU 86 1229 ? A -35.553 25.797 20.490 1.000 1 A 31.019 1 ATOM 590 O OE2 . GLU 86 1229 ? A -35.254 27.704 21.543 1.000 1 A 31.019 1 ATOM 591 N N . ASP 87 1230 ? A -32.320 30.966 16.927 1.000 1 A 34.247 1 ATOM 592 C CA . ASP 87 1230 ? A -33.175 31.941 16.257 1.000 1 A 34.247 1 ATOM 593 C C . ASP 87 1230 ? A -32.480 32.530 15.032 1.000 1 A 34.247 1 ATOM 594 O O . ASP 87 1230 ? A -31.312 32.918 15.101 1.000 1 A 34.247 1 ATOM 595 C CB . ASP 87 1230 ? A -33.575 33.058 17.223 1.000 1 A 34.247 1 ATOM 596 C CG . ASP 87 1230 ? A -34.774 32.699 18.082 1.000 1 A 34.247 1 ATOM 597 O OD1 . ASP 87 1230 ? A -35.474 31.711 17.770 1.000 1 A 34.247 1 ATOM 598 O OD2 . ASP 87 1230 ? A -35.024 33.411 19.078 1.000 1 A 34.247 1 ATOM 599 N N . SER 88 1231 ? A -32.911 32.141 13.759 1.000 1 A 31.150 1 ATOM 600 C CA . SER 88 1231 ? A -33.522 32.962 12.719 1.000 1 A 31.150 1 ATOM 601 C C . SER 88 1231 ? A -33.164 32.449 11.328 1.000 1 A 31.150 1 ATOM 602 O O . SER 88 1231 ? A -32.006 32.124 11.059 1.000 1 A 31.150 1 ATOM 603 C CB . SER 88 1231 ? A -33.084 34.421 12.861 1.000 1 A 31.150 1 ATOM 604 O OG . SER 88 1231 ? A -33.236 34.863 14.198 1.000 1 A 31.150 1 ATOM 605 N N . ASP 89 1232 ? A -34.028 31.675 10.649 1.000 1 A 32.055 1 ATOM 606 C CA . ASP 89 1232 ? A -34.764 31.810 9.396 1.000 1 A 32.055 1 ATOM 607 C C . ASP 89 1232 ? A -34.079 32.804 8.460 1.000 1 A 32.055 1 ATOM 608 O O . ASP 89 1232 ? A -33.962 33.988 8.782 1.000 1 A 32.055 1 ATOM 609 C CB . ASP 89 1232 ? A -36.205 32.249 9.664 1.000 1 A 32.055 1 ATOM 610 C CG . ASP 89 1232 ? A -37.088 31.118 10.161 1.000 1 A 32.055 1 ATOM 611 O OD1 . ASP 89 1232 ? A -36.759 29.936 9.916 1.000 1 A 32.055 1 ATOM 612 O OD2 . ASP 89 1232 ? A -38.122 31.409 10.799 1.000 1 A 32.055 1 ATOM 613 N N . ASN 90 1233 ? A -33.116 32.390 7.566 1.000 1 A 33.245 1 ATOM 614 C CA . ASN 90 1233 ? A -33.024 33.069 6.278 1.000 1 A 33.245 1 ATOM 615 C C . ASN 90 1233 ? A -31.927 32.467 5.405 1.000 1 A 33.245 1 ATOM 616 O O . ASN 90 1233 ? A -30.770 32.387 5.820 1.000 1 A 33.245 1 ATOM 617 C CB . ASN 90 1233 ? A -32.781 34.567 6.478 1.000 1 A 33.245 1 ATOM 618 C CG . ASN 90 1233 ? A -33.811 35.424 5.768 1.000 1 A 33.245 1 ATOM 619 O OD1 . ASN 90 1233 ? A -34.812 34.917 5.256 1.000 1 A 33.245 1 ATOM 620 N ND2 . ASN 90 1233 ? A -33.573 36.730 5.734 1.000 1 A 33.245 1 ATOM 621 N N . ASP 91 1234 ? A -32.176 31.523 4.459 1.000 1 A 35.359 1 ATOM 622 C CA . ASP 91 1234 ? A -31.982 31.734 3.028 1.000 1 A 35.359 1 ATOM 623 C C . ASP 91 1234 ? A -31.326 30.518 2.377 1.000 1 A 35.359 1 ATOM 624 O O . ASP 91 1234 ? A -30.278 30.054 2.831 1.000 1 A 35.359 1 ATOM 625 C CB . ASP 91 1234 ? A -31.135 32.984 2.779 1.000 1 A 35.359 1 ATOM 626 C CG . ASP 91 1234 ? A -31.874 34.056 1.999 1.000 1 A 35.359 1 ATOM 627 O OD1 . ASP 91 1234 ? A -32.991 33.790 1.504 1.000 1 A 35.359 1 ATOM 628 O OD2 . ASP 91 1234 ? A -31.334 35.177 1.874 1.000 1 A 35.359 1 ATOM 629 N N . ASP 92 1235 ? A -32.074 29.590 1.831 1.000 1 A 34.075 1 ATOM 630 C CA . ASP 92 1235 ? A -32.327 29.111 0.476 1.000 1 A 34.075 1 ATOM 631 C C . ASP 92 1235 ? A -31.032 29.037 -0.331 1.000 1 A 34.075 1 ATOM 632 O O . ASP 92 1235 ? A -30.262 29.999 -0.369 1.000 1 A 34.075 1 ATOM 633 C CB . ASP 92 1235 ? A -33.337 30.015 -0.233 1.000 1 A 34.075 1 ATOM 634 C CG . ASP 92 1235 ? A -34.732 29.416 -0.288 1.000 1 A 34.075 1 ATOM 635 O OD1 . ASP 92 1235 ? A -34.901 28.230 0.069 1.000 1 A 34.075 1 ATOM 636 O OD2 . ASP 92 1235 ? A -35.669 30.136 -0.695 1.000 1 A 34.075 1 ATOM 637 N N . ASP 93 1236 ? A -30.462 27.843 -0.679 1.000 1 A 36.674 1 ATOM 638 C CA . ASP 93 1236 ? A -30.283 27.121 -1.934 1.000 1 A 36.674 1 ATOM 639 C C . ASP 93 1236 ? A -28.915 27.415 -2.547 1.000 1 A 36.674 1 ATOM 640 O O . ASP 93 1236 ? A -28.607 28.565 -2.868 1.000 1 A 36.674 1 ATOM 641 C CB . ASP 93 1236 ? A -31.392 27.483 -2.925 1.000 1 A 36.674 1 ATOM 642 C CG . ASP 93 1236 ? A -32.646 26.647 -2.741 1.000 1 A 36.674 1 ATOM 643 O OD1 . ASP 93 1236 ? A -32.574 25.567 -2.117 1.000 1 A 36.674 1 ATOM 644 O OD2 . ASP 93 1236 ? A -33.717 27.072 -3.228 1.000 1 A 36.674 1 ATOM 645 N N . THR 94 1237 ? A -27.831 26.617 -2.418 1.000 1 A 35.643 1 ATOM 646 C CA . THR 94 1237 ? A -27.033 26.388 -3.617 1.000 1 A 35.643 1 ATOM 647 C C . THR 94 1237 ? A -26.151 25.154 -3.453 1.000 1 A 35.643 1 ATOM 648 O O . THR 94 1237 ? A -25.336 25.085 -2.531 1.000 1 A 35.643 1 ATOM 649 C CB . THR 94 1237 ? A -26.155 27.610 -3.946 1.000 1 A 35.643 1 ATOM 650 O OG1 . THR 94 1237 ? A -26.959 28.795 -3.898 1.000 1 A 35.643 1 ATOM 651 C CG2 . THR 94 1237 ? A -25.535 27.485 -5.334 1.000 1 A 35.643 1 ATOM 652 N N . HIS 95 1238 ? A -26.717 23.983 -3.385 1.000 1 A 33.980 1 ATOM 653 C CA . HIS 95 1238 ? A -26.174 22.671 -3.722 1.000 1 A 33.980 1 ATOM 654 C C . HIS 95 1238 ? A -25.425 22.709 -5.050 1.000 1 A 33.980 1 ATOM 655 O O . HIS 95 1238 ? A -26.001 23.058 -6.083 1.000 1 A 33.980 1 ATOM 656 C CB . HIS 95 1238 ? A -27.292 21.628 -3.780 1.000 1 A 33.980 1 ATOM 657 C CG . HIS 95 1238 ? A -26.799 20.217 -3.720 1.000 1 A 33.980 1 ATOM 658 N ND1 . HIS 95 1238 ? A -25.795 19.744 -4.537 1.000 1 A 33.980 1 ATOM 659 C CD2 . HIS 95 1238 ? A -27.172 19.178 -2.937 1.000 1 A 33.980 1 ATOM 660 C CE1 . HIS 95 1238 ? A -25.572 18.471 -4.259 1.000 1 A 33.980 1 ATOM 661 N NE2 . HIS 95 1238 ? A -26.395 18.103 -3.292 1.000 1 A 33.980 1 ATOM 662 N N . VAL 96 1239 ? A -24.178 23.192 -5.204 1.000 1 A 31.963 1 ATOM 663 C CA . VAL 96 1239 ? A -23.308 23.195 -6.375 1.000 1 A 31.963 1 ATOM 664 C C . VAL 96 1239 ? A -22.810 21.778 -6.653 1.000 1 A 31.963 1 ATOM 665 O O . VAL 96 1239 ? A -22.211 21.142 -5.782 1.000 1 A 31.963 1 ATOM 666 C CB . VAL 96 1239 ? A -22.111 24.154 -6.191 1.000 1 A 31.963 1 ATOM 667 C CG1 . VAL 96 1239 ? A -21.420 24.417 -7.528 1.000 1 A 31.963 1 ATOM 668 C CG2 . VAL 96 1239 ? A -22.571 25.465 -5.557 1.000 1 A 31.963 1 ATOM 669 N N . ARG 97 1240 ? A -23.610 20.879 -7.255 1.000 1 A 39.466 1 ATOM 670 C CA . ARG 97 1240 ? A -23.359 19.698 -8.075 1.000 1 A 39.466 1 ATOM 671 C C . ARG 97 1240 ? A -22.273 19.972 -9.111 1.000 1 A 39.466 1 ATOM 672 O O . ARG 97 1240 ? A -22.369 20.932 -9.878 1.000 1 A 39.466 1 ATOM 673 C CB . ARG 97 1240 ? A -24.644 19.243 -8.770 1.000 1 A 39.466 1 ATOM 674 C CG . ARG 97 1240 ? A -24.548 17.860 -9.396 1.000 1 A 39.466 1 ATOM 675 C CD . ARG 97 1240 ? A -25.895 17.387 -9.926 1.000 1 A 39.466 1 ATOM 676 N NE . ARG 97 1240 ? A -25.780 16.113 -10.629 1.000 1 A 39.466 1 ATOM 677 C CZ . ARG 97 1240 ? A -26.784 15.263 -10.827 1.000 1 A 39.466 1 ATOM 678 N NH1 . ARG 97 1240 ? A -28.003 15.537 -10.377 1.000 1 A 39.466 1 ATOM 679 N NH2 . ARG 97 1240 ? A -26.568 14.130 -11.480 1.000 1 A 39.466 1 ATOM 680 N N . MET 98 1241 ? A -20.972 19.819 -8.818 1.000 1 A 32.661 1 ATOM 681 C CA . MET 98 1241 ? A -19.774 19.937 -9.644 1.000 1 A 32.661 1 ATOM 682 C C . MET 98 1241 ? A -19.756 18.868 -10.731 1.000 1 A 32.661 1 ATOM 683 O O . MET 98 1241 ? A -19.793 17.673 -10.433 1.000 1 A 32.661 1 ATOM 684 C CB . MET 98 1241 ? A -18.514 19.830 -8.784 1.000 1 A 32.661 1 ATOM 685 C CG . MET 98 1241 ? A -18.004 21.169 -8.274 1.000 1 A 32.661 1 ATOM 686 S SD . MET 98 1241 ? A -18.818 21.681 -6.711 1.000 1 A 32.661 1 ATOM 687 C CE . MET 98 1241 ? A -18.084 23.325 -6.491 1.000 1 A 32.661 1 ATOM 688 N N . ASP 99 1242 ? A -20.518 18.816 -11.829 1.000 1 A 34.163 1 ATOM 689 C CA . ASP 99 1242 ? A -20.460 18.071 -13.083 1.000 1 A 34.163 1 ATOM 690 C C . ASP 99 1242 ? A -19.167 18.367 -13.838 1.000 1 A 34.163 1 ATOM 691 O O . ASP 99 1242 ? A -18.843 19.529 -14.094 1.000 1 A 34.163 1 ATOM 692 C CB . ASP 99 1242 ? A -21.669 18.401 -13.959 1.000 1 A 34.163 1 ATOM 693 C CG . ASP 99 1242 ? A -22.908 17.607 -13.584 1.000 1 A 34.163 1 ATOM 694 O OD1 . ASP 99 1242 ? A -22.780 16.545 -12.937 1.000 1 A 34.163 1 ATOM 695 O OD2 . ASP 99 1242 ? A -24.023 18.046 -13.941 1.000 1 A 34.163 1 ATOM 696 N N . PHE 100 1243 ? A -18.061 17.590 -13.684 1.000 1 A 35.267 1 ATOM 697 C CA . PHE 100 1243 ? A -16.802 17.502 -14.415 1.000 1 A 35.267 1 ATOM 698 C C . PHE 100 1243 ? A -17.028 16.960 -15.821 1.000 1 A 35.267 1 ATOM 699 O O . PHE 100 1243 ? A -16.277 16.104 -16.290 1.000 1 A 35.267 1 ATOM 700 C CB . PHE 100 1243 ? A -15.804 16.615 -13.664 1.000 1 A 35.267 1 ATOM 701 C CG . PHE 100 1243 ? A -15.238 17.252 -12.424 1.000 1 A 35.267 1 ATOM 702 C CD1 . PHE 100 1243 ? A -14.207 18.179 -12.511 1.000 1 A 35.267 1 ATOM 703 C CD2 . PHE 100 1243 ? A -15.737 16.922 -11.170 1.000 1 A 35.267 1 ATOM 704 C CE1 . PHE 100 1243 ? A -13.681 18.771 -11.364 1.000 1 A 35.267 1 ATOM 705 C CE2 . PHE 100 1243 ? A -15.217 17.509 -10.020 1.000 1 A 35.267 1 ATOM 706 C CZ . PHE 100 1243 ? A -14.188 18.432 -10.119 1.000 1 A 35.267 1 ATOM 707 N N . ALA 101 1244 ? A -17.926 17.551 -16.612 1.000 1 A 36.222 1 ATOM 708 C CA . ALA 101 1244 ? A -17.737 17.362 -18.048 1.000 1 A 36.222 1 ATOM 709 C C . ALA 101 1244 ? A -17.826 18.691 -18.793 1.000 1 A 36.222 1 ATOM 710 O O . ALA 101 1244 ? A -18.587 18.821 -19.754 1.000 1 A 36.222 1 ATOM 711 C CB . ALA 101 1244 ? A -18.770 16.379 -18.595 1.000 1 A 36.222 1 ATOM 712 N N . ARG 102 1245 ? A -17.005 19.701 -18.491 1.000 1 A 32.969 1 ATOM 713 C CA . ARG 102 1245 ? A -16.983 20.835 -19.408 1.000 1 A 32.969 1 ATOM 714 C C . ARG 102 1245 ? A -15.746 20.795 -20.299 1.000 1 A 32.969 1 ATOM 715 O O . ARG 102 1245 ? A -14.621 20.696 -19.805 1.000 1 A 32.969 1 ATOM 716 C CB . ARG 102 1245 ? A -17.028 22.154 -18.634 1.000 1 A 32.969 1 ATOM 717 C CG . ARG 102 1245 ? A -17.576 23.322 -19.438 1.000 1 A 32.969 1 ATOM 718 C CD . ARG 102 1245 ? A -17.595 24.609 -18.624 1.000 1 A 32.969 1 ATOM 719 N NE . ARG 102 1245 ? A -18.462 25.616 -19.228 1.000 1 A 32.969 1 ATOM 720 C CZ . ARG 102 1245 ? A -18.521 26.890 -18.850 1.000 1 A 32.969 1 ATOM 721 N NH1 . ARG 102 1245 ? A -17.761 27.339 -17.858 1.000 1 A 32.969 1 ATOM 722 N NH2 . ARG 102 1245 ? A -19.346 27.722 -19.468 1.000 1 A 32.969 1 ATOM 723 N N . ARG 103 1246 ? A -15.791 20.165 -21.472 1.000 1 A 33.926 1 ATOM 724 C CA . ARG 103 1246 ? A -15.347 20.385 -22.845 1.000 1 A 33.926 1 ATOM 725 C C . ARG 103 1246 ? A -15.618 21.819 -23.285 1.000 1 A 33.926 1 ATOM 726 O O . ARG 103 1246 ? A -16.756 22.290 -23.218 1.000 1 A 33.926 1 ATOM 727 C CB . ARG 103 1246 ? A -16.037 19.405 -23.797 1.000 1 A 33.926 1 ATOM 728 C CG . ARG 103 1246 ? A -15.241 18.136 -24.058 1.000 1 A 33.926 1 ATOM 729 C CD . ARG 103 1246 ? A -15.827 17.330 -25.209 1.000 1 A 33.926 1 ATOM 730 N NE . ARG 103 1246 ? A -15.056 16.116 -25.464 1.000 1 A 33.926 1 ATOM 731 C CZ . ARG 103 1246 ? A -15.450 15.120 -26.253 1.000 1 A 33.926 1 ATOM 732 N NH1 . ARG 103 1246 ? A -16.618 15.175 -26.882 1.000 1 A 33.926 1 ATOM 733 N NH2 . ARG 103 1246 ? A -14.670 14.062 -26.414 1.000 1 A 33.926 1 ATOM 734 N N . ASP 104 1247 ? A -14.699 22.791 -23.040 1.000 1 A 35.968 1 ATOM 735 C CA . ASP 104 1247 ? A -14.482 23.828 -24.043 1.000 1 A 35.968 1 ATOM 736 C C . ASP 104 1247 ? A -13.300 24.718 -23.667 1.000 1 A 35.968 1 ATOM 737 O O . ASP 104 1247 ? A -13.210 25.193 -22.533 1.000 1 A 35.968 1 ATOM 738 C CB . ASP 104 1247 ? A -15.744 24.676 -24.220 1.000 1 A 35.968 1 ATOM 739 C CG . ASP 104 1247 ? A -16.762 24.038 -25.148 1.000 1 A 35.968 1 ATOM 740 O OD1 . ASP 104 1247 ? A -16.389 23.149 -25.944 1.000 1 A 35.968 1 ATOM 741 O OD2 . ASP 104 1247 ? A -17.948 24.429 -25.085 1.000 1 A 35.968 1 ATOM 742 N N . ASN 105 1248 ? A -12.056 24.498 -24.197 1.000 1 A 34.435 1 ATOM 743 C CA . ASN 105 1248 ? A -11.199 25.185 -25.158 1.000 1 A 34.435 1 ATOM 744 C C . ASN 105 1248 ? A -11.230 26.697 -24.956 1.000 1 A 34.435 1 ATOM 745 O O . ASN 105 1248 ? A -12.248 27.341 -25.216 1.000 1 A 34.435 1 ATOM 746 C CB . ASN 105 1248 ? A -11.607 24.831 -26.589 1.000 1 A 34.435 1 ATOM 747 C CG . ASN 105 1248 ? A -10.984 23.536 -27.072 1.000 1 A 34.435 1 ATOM 748 O OD1 . ASN 105 1248 ? A -10.111 22.969 -26.410 1.000 1 A 34.435 1 ATOM 749 N ND2 . ASN 105 1248 ? A -11.427 23.059 -28.229 1.000 1 A 34.435 1 ATOM 750 N N . GLN 106 1249 ? A -10.371 27.282 -24.146 1.000 1 A 32.821 1 ATOM 751 C CA . GLN 106 1249 ? A -9.784 28.539 -24.599 1.000 1 A 32.821 1 ATOM 752 C C . GLN 106 1249 ? A -8.467 28.820 -23.882 1.000 1 A 32.821 1 ATOM 753 O O . GLN 106 1249 ? A -8.426 28.892 -22.652 1.000 1 A 32.821 1 ATOM 754 C CB . GLN 106 1249 ? A -10.759 29.696 -24.380 1.000 1 A 32.821 1 ATOM 755 C CG . GLN 106 1249 ? A -11.105 30.458 -25.652 1.000 1 A 32.821 1 ATOM 756 C CD . GLN 106 1249 ? A -12.109 31.570 -25.415 1.000 1 A 32.821 1 ATOM 757 O OE1 . GLN 106 1249 ? A -12.097 32.223 -24.367 1.000 1 A 32.821 1 ATOM 758 N NE2 . GLN 106 1249 ? A -12.987 31.794 -26.388 1.000 1 A 32.821 1 ATOM 759 N N . PHE 107 1250 ? A -7.427 28.146 -24.206 1.000 1 A 34.494 1 ATOM 760 C CA . PHE 107 1250 ? A -6.020 28.527 -24.161 1.000 1 A 34.494 1 ATOM 761 C C . PHE 107 1250 ? A -5.826 29.946 -24.682 1.000 1 A 34.494 1 ATOM 762 O O . PHE 107 1250 ? A -6.199 30.253 -25.816 1.000 1 A 34.494 1 ATOM 763 C CB . PHE 107 1250 ? A -5.170 27.548 -24.977 1.000 1 A 34.494 1 ATOM 764 C CG . PHE 107 1250 ? A -4.101 26.856 -24.175 1.000 1 A 34.494 1 ATOM 765 C CD1 . PHE 107 1250 ? A -2.817 27.381 -24.104 1.000 1 A 34.494 1 ATOM 766 C CD2 . PHE 107 1250 ? A -4.381 25.681 -23.490 1.000 1 A 34.494 1 ATOM 767 C CE1 . PHE 107 1250 ? A -1.825 26.744 -23.362 1.000 1 A 34.494 1 ATOM 768 C CE2 . PHE 107 1250 ? A -3.396 25.038 -22.747 1.000 1 A 34.494 1 ATOM 769 C CZ . PHE 107 1250 ? A -2.118 25.571 -22.685 1.000 1 A 34.494 1 ATOM 770 N N . ASP 108 1251 ? A -5.991 30.949 -23.856 1.000 1 A 37.459 1 ATOM 771 C CA . ASP 108 1251 ? A -5.489 32.298 -24.101 1.000 1 A 37.459 1 ATOM 772 C C . ASP 108 1251 ? A -3.970 32.352 -23.963 1.000 1 A 37.459 1 ATOM 773 O O . ASP 108 1251 ? A -3.416 31.908 -22.955 1.000 1 A 37.459 1 ATOM 774 C CB . ASP 108 1251 ? A -6.141 33.295 -23.141 1.000 1 A 37.459 1 ATOM 775 C CG . ASP 108 1251 ? A -7.450 33.857 -23.667 1.000 1 A 37.459 1 ATOM 776 O OD1 . ASP 108 1251 ? A -7.664 33.854 -24.899 1.000 1 A 37.459 1 ATOM 777 O OD2 . ASP 108 1251 ? A -8.274 34.310 -22.844 1.000 1 A 37.459 1 ATOM 778 N N . SER 109 1252 ? A -3.181 32.207 -25.059 1.000 1 A 40.453 1 ATOM 779 C CA . SER 109 1252 ? A -1.806 32.590 -25.361 1.000 1 A 40.453 1 ATOM 780 C C . SER 109 1252 ? A -1.490 33.984 -24.828 1.000 1 A 40.453 1 ATOM 781 O O . SER 109 1252 ? A -2.298 34.905 -24.967 1.000 1 A 40.453 1 ATOM 782 C CB . SER 109 1252 ? A -1.554 32.542 -26.868 1.000 1 A 40.453 1 ATOM 783 O OG . SER 109 1252 ? A -1.706 31.223 -27.362 1.000 1 A 40.453 1 ATOM 784 N N . PRO 110 1253 ? A -0.478 34.169 -23.932 1.000 1 A 41.108 1 ATOM 785 C CA . PRO 110 1253 ? A -0.014 35.470 -23.445 1.000 1 A 41.108 1 ATOM 786 C C . PRO 110 1253 ? A 0.790 36.239 -24.490 1.000 1 A 41.108 1 ATOM 787 O O . PRO 110 1253 ? A 1.502 35.634 -25.295 1.000 1 A 41.108 1 ATOM 788 C CB . PRO 110 1253 ? A 0.861 35.105 -22.243 1.000 1 A 41.108 1 ATOM 789 C CG . PRO 110 1253 ? A 1.196 33.662 -22.439 1.000 1 A 41.108 1 ATOM 790 C CD . PRO 110 1253 ? A 0.483 33.169 -23.665 1.000 1 A 41.108 1 ATOM 791 N N . LYS 111 1254 ? A 0.244 37.354 -25.105 1.000 1 A 40.404 1 ATOM 792 C CA . LYS 111 1254 ? A 0.550 38.725 -25.503 1.000 1 A 40.404 1 ATOM 793 C C . LYS 111 1254 ? A 2.018 39.055 -25.253 1.000 1 A 40.404 1 ATOM 794 O O . LYS 111 1254 ? A 2.535 38.822 -24.158 1.000 1 A 40.404 1 ATOM 795 C CB . LYS 111 1254 ? A -0.345 39.713 -24.754 1.000 1 A 40.404 1 ATOM 796 C CG . LYS 111 1254 ? A -1.758 39.814 -25.310 1.000 1 A 40.404 1 ATOM 797 C CD . LYS 111 1254 ? A -2.518 40.983 -24.697 1.000 1 A 40.404 1 ATOM 798 C CE . LYS 111 1254 ? A -3.929 41.090 -25.259 1.000 1 A 40.404 1 ATOM 799 N NZ . LYS 111 1254 ? A -4.683 42.227 -24.651 1.000 1 A 40.404 1 ATOM 800 N N . ARG 112 1255 ? A 2.908 38.923 -26.318 1.000 1 A 36.686 1 ATOM 801 C CA . ARG 112 1255 ? A 4.087 39.627 -26.812 1.000 1 A 36.686 1 ATOM 802 C C . ARG 112 1255 ? A 4.094 41.079 -26.345 1.000 1 A 36.686 1 ATOM 803 O O . ARG 112 1255 ? A 3.138 41.818 -26.588 1.000 1 A 36.686 1 ATOM 804 C CB . ARG 112 1255 ? A 4.149 39.567 -28.340 1.000 1 A 36.686 1 ATOM 805 C CG . ARG 112 1255 ? A 5.162 38.570 -28.877 1.000 1 A 36.686 1 ATOM 806 C CD . ARG 112 1255 ? A 5.323 38.687 -30.387 1.000 1 A 36.686 1 ATOM 807 N NE . ARG 112 1255 ? A 5.779 37.433 -30.979 1.000 1 A 36.686 1 ATOM 808 C CZ . ARG 112 1255 ? A 6.588 37.341 -32.031 1.000 1 A 36.686 1 ATOM 809 N NH1 . ARG 112 1255 ? A 7.047 38.434 -32.630 1.000 1 A 36.686 1 ATOM 810 N NH2 . ARG 112 1255 ? A 6.940 36.148 -32.488 1.000 1 A 36.686 1 ATOM 811 N N . GLY 113 1256 ? A 4.615 41.406 -25.175 1.000 1 A 36.887 1 ATOM 812 C CA . GLY 113 1256 ? A 5.090 42.672 -24.639 1.000 1 A 36.887 1 ATOM 813 C C . GLY 113 1256 ? A 6.505 43.009 -25.070 1.000 1 A 36.887 1 ATOM 814 O O . GLY 113 1256 ? A 7.342 42.117 -25.223 1.000 1 A 36.887 1 ATOM 815 N N . ARG 114 1257 ? A 6.692 43.839 -26.174 1.000 1 A 37.670 1 ATOM 816 C CA . ARG 114 1257 ? A 7.629 44.905 -26.515 1.000 1 A 37.670 1 ATOM 817 C C . ARG 114 1257 ? A 8.995 44.336 -26.883 1.000 1 A 37.670 1 ATOM 818 O O . ARG 114 1257 ? A 9.487 43.415 -26.227 1.000 1 A 37.670 1 ATOM 819 C CB . ARG 114 1257 ? A 7.767 45.892 -25.354 1.000 1 A 37.670 1 ATOM 820 C CG . ARG 114 1257 ? A 6.881 47.121 -25.481 1.000 1 A 37.670 1 ATOM 821 C CD . ARG 114 1257 ? A 7.233 48.180 -24.445 1.000 1 A 37.670 1 ATOM 822 N NE . ARG 114 1257 ? A 6.149 49.142 -24.268 1.000 1 A 37.670 1 ATOM 823 C CZ . ARG 114 1257 ? A 6.310 50.399 -23.865 1.000 1 A 37.670 1 ATOM 824 N NH1 . ARG 114 1257 ? A 7.520 50.873 -23.589 1.000 1 A 37.670 1 ATOM 825 N NH2 . ARG 114 1257 ? A 5.254 51.189 -23.737 1.000 1 A 37.670 1 ATOM 826 N N . VAL 1 922 ? B 33.326 -13.788 -4.432 1.000 2 B 68.329 1 ATOM 827 C CA . VAL 1 922 ? B 32.479 -12.601 -4.386 1.000 2 B 68.329 1 ATOM 828 C C . VAL 1 922 ? B 31.068 -12.989 -3.950 1.000 2 B 68.329 1 ATOM 829 O O . VAL 1 922 ? B 30.461 -13.896 -4.525 1.000 2 B 68.329 1 ATOM 830 C CB . VAL 1 922 ? B 32.435 -11.881 -5.753 1.000 2 B 68.329 1 ATOM 831 C CG1 . VAL 1 922 ? B 31.550 -10.638 -5.680 1.000 2 B 68.329 1 ATOM 832 C CG2 . VAL 1 922 ? B 33.846 -11.511 -6.206 1.000 2 B 68.329 1 ATOM 833 N N . LYS 2 923 ? B 30.769 -12.958 -2.651 1.000 2 B 79.778 1 ATOM 834 C CA . LYS 2 923 ? B 29.432 -13.227 -2.130 1.000 2 B 79.778 1 ATOM 835 C C . LYS 2 923 ? B 28.499 -12.044 -2.372 1.000 2 B 79.778 1 ATOM 836 O O . LYS 2 923 ? B 28.804 -10.916 -1.978 1.000 2 B 79.778 1 ATOM 837 C CB . LYS 2 923 ? B 29.493 -13.550 -0.637 1.000 2 B 79.778 1 ATOM 838 C CG . LYS 2 923 ? B 28.215 -14.162 -0.083 1.000 2 B 79.778 1 ATOM 839 C CD . LYS 2 923 ? B 28.376 -14.571 1.376 1.000 2 B 79.778 1 ATOM 840 C CE . LYS 2 923 ? B 27.081 -15.133 1.947 1.000 2 B 79.778 1 ATOM 841 N NZ . LYS 2 923 ? B 27.260 -15.622 3.346 1.000 2 B 79.778 1 ATOM 842 N N . PHE 3 924 ? B 27.574 -12.345 -3.260 1.000 2 B 86.682 1 ATOM 843 C CA . PHE 3 924 ? B 26.631 -11.282 -3.582 1.000 2 B 86.682 1 ATOM 844 C C . PHE 3 924 ? B 25.558 -11.165 -2.505 1.000 2 B 86.682 1 ATOM 845 O O . PHE 3 924 ? B 25.181 -12.163 -1.887 1.000 2 B 86.682 1 ATOM 846 C CB . PHE 3 924 ? B 25.980 -11.533 -4.946 1.000 2 B 86.682 1 ATOM 847 C CG . PHE 3 924 ? B 26.934 -11.415 -6.104 1.000 2 B 86.682 1 ATOM 848 C CD1 . PHE 3 924 ? B 27.261 -10.170 -6.629 1.000 2 B 86.682 1 ATOM 849 C CD2 . PHE 3 924 ? B 27.503 -12.549 -6.668 1.000 2 B 86.682 1 ATOM 850 C CE1 . PHE 3 924 ? B 28.144 -10.058 -7.701 1.000 2 B 86.682 1 ATOM 851 C CE2 . PHE 3 924 ? B 28.386 -12.444 -7.740 1.000 2 B 86.682 1 ATOM 852 C CZ . PHE 3 924 ? B 28.704 -11.198 -8.255 1.000 2 B 86.682 1 ATOM 853 N N . ASN 4 925 ? B 25.367 -10.001 -2.119 1.000 2 B 93.414 1 ATOM 854 C CA . ASN 4 925 ? B 24.221 -9.680 -1.274 1.000 2 B 93.414 1 ATOM 855 C C . ASN 4 925 ? B 22.916 -10.178 -1.887 1.000 2 B 93.414 1 ATOM 856 O O . ASN 4 925 ? B 22.498 -9.701 -2.944 1.000 2 B 93.414 1 ATOM 857 C CB . ASN 4 925 ? B 24.147 -8.173 -1.020 1.000 2 B 93.414 1 ATOM 858 C CG . ASN 4 925 ? B 23.039 -7.798 -0.055 1.000 2 B 93.414 1 ATOM 859 O OD1 . ASN 4 925 ? B 22.174 -8.617 0.266 1.000 2 B 93.414 1 ATOM 860 N ND2 . ASN 4 925 ? B 23.058 -6.556 0.415 1.000 2 B 93.414 1 ATOM 861 N N . PRO 5 926 ? B 22.307 -11.263 -1.276 1.000 2 B 96.248 1 ATOM 862 C CA . PRO 5 926 ? B 21.099 -11.876 -1.833 1.000 2 B 96.248 1 ATOM 863 C C . PRO 5 926 ? B 19.984 -10.862 -2.081 1.000 2 B 96.248 1 ATOM 864 O O . PRO 5 926 ? B 19.234 -10.990 -3.052 1.000 2 B 96.248 1 ATOM 865 C CB . PRO 5 926 ? B 20.689 -12.886 -0.758 1.000 2 B 96.248 1 ATOM 866 C CG . PRO 5 926 ? B 21.412 -12.449 0.474 1.000 2 B 96.248 1 ATOM 867 C CD . PRO 5 926 ? B 22.702 -11.798 0.064 1.000 2 B 96.248 1 ATOM 868 N N . LEU 6 927 ? B 19.755 -9.926 -1.209 1.000 2 B 96.404 1 ATOM 869 C CA . LEU 6 927 ? B 18.740 -8.897 -1.411 1.000 2 B 96.404 1 ATOM 870 C C . LEU 6 927 ? B 19.005 -8.117 -2.694 1.000 2 B 96.404 1 ATOM 871 O O . LEU 6 927 ? B 18.081 -7.851 -3.466 1.000 2 B 96.404 1 ATOM 872 C CB . LEU 6 927 ? B 18.702 -7.941 -0.216 1.000 2 B 96.404 1 ATOM 873 C CG . LEU 6 927 ? B 17.708 -6.782 -0.307 1.000 2 B 96.404 1 ATOM 874 C CD1 . LEU 6 927 ? B 16.285 -7.313 -0.443 1.000 2 B 96.404 1 ATOM 875 C CD2 . LEU 6 927 ? B 17.831 -5.874 0.911 1.000 2 B 96.404 1 ATOM 876 N N . ALA 7 928 ? B 20.247 -7.693 -2.910 1.000 2 B 96.430 1 ATOM 877 C CA . ALA 7 928 ? B 20.605 -6.961 -4.122 1.000 2 B 96.430 1 ATOM 878 C C . ALA 7 928 ? B 20.294 -7.781 -5.371 1.000 2 B 96.430 1 ATOM 879 O O . ALA 7 928 ? B 19.799 -7.246 -6.366 1.000 2 B 96.430 1 ATOM 880 C CB . ALA 7 928 ? B 22.083 -6.578 -4.096 1.000 2 B 96.430 1 ATOM 881 N N . LEU 8 929 ? B 20.583 -9.084 -5.295 1.000 2 B 97.065 1 ATOM 882 C CA . LEU 8 929 ? B 20.300 -9.979 -6.411 1.000 2 B 97.065 1 ATOM 883 C C . LEU 8 929 ? B 18.797 -10.100 -6.643 1.000 2 B 97.065 1 ATOM 884 O O . LEU 8 929 ? B 18.341 -10.121 -7.789 1.000 2 B 97.065 1 ATOM 885 C CB . LEU 8 929 ? B 20.901 -11.364 -6.155 1.000 2 B 97.065 1 ATOM 886 C CG . LEU 8 929 ? B 22.418 -11.484 -6.310 1.000 2 B 97.065 1 ATOM 887 C CD1 . LEU 8 929 ? B 22.888 -12.865 -5.867 1.000 2 B 97.065 1 ATOM 888 C CD2 . LEU 8 929 ? B 22.831 -11.210 -7.752 1.000 2 B 97.065 1 ATOM 889 N N . LEU 9 930 ? B 18.024 -10.175 -5.572 1.000 2 B 98.189 1 ATOM 890 C CA . LEU 9 930 ? B 16.571 -10.248 -5.667 1.000 2 B 98.189 1 ATOM 891 C C . LEU 9 930 ? B 16.005 -8.991 -6.320 1.000 2 B 98.189 1 ATOM 892 O O . LEU 9 930 ? B 15.149 -9.077 -7.203 1.000 2 B 98.189 1 ATOM 893 C CB . LEU 9 930 ? B 15.951 -10.441 -4.281 1.000 2 B 98.189 1 ATOM 894 C CG . LEU 9 930 ? B 14.426 -10.541 -4.228 1.000 2 B 98.189 1 ATOM 895 C CD1 . LEU 9 930 ? B 13.946 -11.754 -5.018 1.000 2 B 98.189 1 ATOM 896 C CD2 . LEU 9 930 ? B 13.944 -10.613 -2.783 1.000 2 B 98.189 1 ATOM 897 N N . LEU 10 931 ? B 16.467 -7.862 -5.933 1.000 2 B 97.989 1 ATOM 898 C CA . LEU 10 931 ? B 16.030 -6.593 -6.507 1.000 2 B 97.989 1 ATOM 899 C C . LEU 10 931 ? B 16.338 -6.537 -7.999 1.000 2 B 97.989 1 ATOM 900 O O . LEU 10 931 ? B 15.477 -6.169 -8.802 1.000 2 B 97.989 1 ATOM 901 C CB . LEU 10 931 ? B 16.704 -5.420 -5.790 1.000 2 B 97.989 1 ATOM 902 C CG . LEU 10 931 ? B 16.249 -5.151 -4.355 1.000 2 B 97.989 1 ATOM 903 C CD1 . LEU 10 931 ? B 17.195 -4.168 -3.674 1.000 2 B 97.989 1 ATOM 904 C CD2 . LEU 10 931 ? B 14.818 -4.625 -4.337 1.000 2 B 97.989 1 ATOM 905 N N . ASP 11 932 ? B 17.486 -6.917 -8.308 1.000 2 B 97.645 1 ATOM 906 C CA . ASP 11 932 ? B 17.923 -6.860 -9.699 1.000 2 B 97.645 1 ATOM 907 C C . ASP 11 932 ? B 17.145 -7.852 -10.560 1.000 2 B 97.645 1 ATOM 908 O O . ASP 11 932 ? B 16.659 -7.500 -11.637 1.000 2 B 97.645 1 ATOM 909 C CB . ASP 11 932 ? B 19.424 -7.137 -9.802 1.000 2 B 97.645 1 ATOM 910 C CG . ASP 11 932 ? B 19.977 -6.898 -11.196 1.000 2 B 97.645 1 ATOM 911 O OD1 . ASP 11 932 ? B 19.773 -5.797 -11.752 1.000 2 B 97.645 1 ATOM 912 O OD2 . ASP 11 932 ? B 20.621 -7.819 -11.744 1.000 2 B 97.645 1 ATOM 913 N N . SER 12 933 ? B 17.080 -9.075 -10.056 1.000 2 B 98.276 1 ATOM 914 C CA . SER 12 933 ? B 16.409 -10.118 -10.826 1.000 2 B 98.276 1 ATOM 915 C C . SER 12 933 ? B 14.932 -9.794 -11.026 1.000 2 B 98.276 1 ATOM 916 O O . SER 12 933 ? B 14.352 -10.131 -12.060 1.000 2 B 98.276 1 ATOM 917 C CB . SER 12 933 ? B 16.553 -11.473 -10.132 1.000 2 B 98.276 1 ATOM 918 O OG . SER 12 933 ? B 16.030 -11.423 -8.816 1.000 2 B 98.276 1 ATOM 919 N N . SER 13 934 ? B 14.217 -9.157 -10.056 1.000 2 B 98.499 1 ATOM 920 C CA . SER 13 934 ? B 12.821 -8.747 -10.162 1.000 2 B 98.499 1 ATOM 921 C C . SER 13 934 ? B 12.638 -7.681 -11.237 1.000 2 B 98.499 1 ATOM 922 O O . SER 13 934 ? B 11.623 -7.665 -11.936 1.000 2 B 98.499 1 ATOM 923 C CB . SER 13 934 ? B 12.312 -8.221 -8.819 1.000 2 B 98.499 1 ATOM 924 O OG . SER 13 934 ? B 12.308 -9.251 -7.845 1.000 2 B 98.499 1 ATOM 925 N N . LEU 14 935 ? B 13.574 -6.813 -11.356 1.000 2 B 98.117 1 ATOM 926 C CA . LEU 14 935 ? B 13.548 -5.763 -12.367 1.000 2 B 98.117 1 ATOM 927 C C . LEU 14 935 ? B 13.772 -6.343 -13.760 1.000 2 B 98.117 1 ATOM 928 O O . LEU 14 935 ? B 13.137 -5.912 -14.726 1.000 2 B 98.117 1 ATOM 929 C CB . LEU 14 935 ? B 14.610 -4.702 -12.067 1.000 2 B 98.117 1 ATOM 930 C CG . LEU 14 935 ? B 14.673 -3.514 -13.028 1.000 2 B 98.117 1 ATOM 931 C CD1 . LEU 14 935 ? B 13.350 -2.755 -13.020 1.000 2 B 98.117 1 ATOM 932 C CD2 . LEU 14 935 ? B 15.828 -2.589 -12.660 1.000 2 B 98.117 1 ATOM 933 N N . GLU 15 936 ? B 14.656 -7.384 -13.826 1.000 2 B 98.333 1 ATOM 934 C CA . GLU 15 936 ? B 15.036 -7.964 -15.112 1.000 2 B 98.333 1 ATOM 935 C C . GLU 15 936 ? B 14.040 -9.034 -15.550 1.000 2 B 98.333 1 ATOM 936 O O . GLU 15 936 ? B 14.058 -9.470 -16.703 1.000 2 B 98.333 1 ATOM 937 C CB . GLU 15 936 ? B 16.446 -8.555 -15.040 1.000 2 B 98.333 1 ATOM 938 C CG . GLU 15 936 ? B 17.531 -7.525 -14.762 1.000 2 B 98.333 1 ATOM 939 C CD . GLU 15 936 ? B 17.643 -6.464 -15.845 1.000 2 B 98.333 1 ATOM 940 O OE1 . GLU 15 936 ? B 18.199 -5.376 -15.573 1.000 2 B 98.333 1 ATOM 941 O OE2 . GLU 15 936 ? B 17.169 -6.722 -16.974 1.000 2 B 98.333 1 ATOM 942 N N . GLY 16 937 ? B 13.174 -9.514 -14.648 1.000 2 B 98.115 1 ATOM 943 C CA . GLY 16 937 ? B 12.157 -10.500 -14.977 1.000 2 B 98.115 1 ATOM 944 C C . GLY 16 937 ? B 12.678 -11.925 -14.951 1.000 2 B 98.115 1 ATOM 945 O O . GLY 16 937 ? B 12.193 -12.783 -15.692 1.000 2 B 98.115 1 ATOM 946 N N . GLU 17 938 ? B 13.763 -12.141 -14.263 1.000 2 B 98.308 1 ATOM 947 C CA . GLU 17 938 ? B 14.303 -13.489 -14.113 1.000 2 B 98.308 1 ATOM 948 C C . GLU 17 938 ? B 13.562 -14.263 -13.026 1.000 2 B 98.308 1 ATOM 949 O O . GLU 17 938 ? B 13.989 -14.281 -11.870 1.000 2 B 98.308 1 ATOM 950 C CB . GLU 17 938 ? B 15.799 -13.436 -13.795 1.000 2 B 98.308 1 ATOM 951 C CG . GLU 17 938 ? B 16.643 -12.821 -14.902 1.000 2 B 98.308 1 ATOM 952 C CD . GLU 17 938 ? B 18.133 -12.843 -14.603 1.000 2 B 98.308 1 ATOM 953 O OE1 . GLU 17 938 ? B 18.928 -12.361 -15.443 1.000 2 B 98.308 1 ATOM 954 O OE2 . GLU 17 938 ? B 18.510 -13.346 -13.522 1.000 2 B 98.308 1 ATOM 955 N N . PHE 18 939 ? B 12.449 -14.858 -13.376 1.000 2 B 98.383 1 ATOM 956 C CA . PHE 18 939 ? B 11.507 -15.471 -12.447 1.000 2 B 98.383 1 ATOM 957 C C . PHE 18 939 ? B 12.154 -16.637 -11.710 1.000 2 B 98.383 1 ATOM 958 O O . PHE 18 939 ? B 12.025 -16.756 -10.490 1.000 2 B 98.383 1 ATOM 959 C CB . PHE 18 939 ? B 10.253 -15.949 -13.188 1.000 2 B 98.383 1 ATOM 960 C CG . PHE 18 939 ? B 9.192 -16.513 -12.282 1.000 2 B 98.383 1 ATOM 961 C CD1 . PHE 18 939 ? B 8.677 -17.785 -12.500 1.000 2 B 98.383 1 ATOM 962 C CD2 . PHE 18 939 ? B 8.708 -15.770 -11.213 1.000 2 B 98.383 1 ATOM 963 C CE1 . PHE 18 939 ? B 7.694 -18.309 -11.663 1.000 2 B 98.383 1 ATOM 964 C CE2 . PHE 18 939 ? B 7.726 -16.287 -10.373 1.000 2 B 98.383 1 ATOM 965 C CZ . PHE 18 939 ? B 7.220 -17.557 -10.600 1.000 2 B 98.383 1 ATOM 966 N N . ASP 19 940 ? B 12.858 -17.490 -12.427 1.000 2 B 97.933 1 ATOM 967 C CA . ASP 19 940 ? B 13.508 -18.646 -11.816 1.000 2 B 97.933 1 ATOM 968 C C . ASP 19 940 ? B 14.510 -18.212 -10.749 1.000 2 B 97.933 1 ATOM 969 O O . ASP 19 940 ? B 14.573 -18.806 -9.671 1.000 2 B 97.933 1 ATOM 970 C CB . ASP 19 940 ? B 14.207 -19.493 -12.881 1.000 2 B 97.933 1 ATOM 971 C CG . ASP 19 940 ? B 13.235 -20.203 -13.806 1.000 2 B 97.933 1 ATOM 972 O OD1 . ASP 19 940 ? B 12.112 -20.537 -13.371 1.000 2 B 97.933 1 ATOM 973 O OD2 . ASP 19 940 ? B 13.597 -20.434 -14.981 1.000 2 B 97.933 1 ATOM 974 N N . LEU 20 941 ? B 15.239 -17.228 -11.068 1.000 2 B 97.769 1 ATOM 975 C CA . LEU 20 941 ? B 16.227 -16.713 -10.126 1.000 2 B 97.769 1 ATOM 976 C C . LEU 20 941 ? B 15.547 -16.097 -8.908 1.000 2 B 97.769 1 ATOM 977 O O . LEU 20 941 ? B 15.985 -16.309 -7.774 1.000 2 B 97.769 1 ATOM 978 C CB . LEU 20 941 ? B 17.124 -15.674 -10.804 1.000 2 B 97.769 1 ATOM 979 C CG . LEU 20 941 ? B 18.281 -15.126 -9.966 1.000 2 B 97.769 1 ATOM 980 C CD1 . LEU 20 941 ? B 19.152 -16.269 -9.456 1.000 2 B 97.769 1 ATOM 981 C CD2 . LEU 20 941 ? B 19.109 -14.137 -10.779 1.000 2 B 97.769 1 ATOM 982 N N . VAL 21 942 ? B 14.482 -15.340 -9.109 1.000 2 B 98.303 1 ATOM 983 C CA . VAL 21 942 ? B 13.715 -14.739 -8.023 1.000 2 B 98.303 1 ATOM 984 C C . VAL 21 942 ? B 13.226 -15.828 -7.071 1.000 2 B 98.303 1 ATOM 985 O O . VAL 21 942 ? B 13.356 -15.699 -5.851 1.000 2 B 98.303 1 ATOM 986 C CB . VAL 21 942 ? B 12.517 -13.922 -8.558 1.000 2 B 98.303 1 ATOM 987 C CG1 . VAL 21 942 ? B 11.573 -13.540 -7.420 1.000 2 B 98.303 1 ATOM 988 C CG2 . VAL 21 942 ? B 13.008 -12.675 -9.291 1.000 2 B 98.303 1 ATOM 989 N N . GLN 22 943 ? B 12.755 -16.917 -7.585 1.000 2 B 97.588 1 ATOM 990 C CA . GLN 22 943 ? B 12.219 -18.018 -6.792 1.000 2 B 97.588 1 ATOM 991 C C . GLN 22 943 ? B 13.305 -18.656 -5.931 1.000 2 B 97.588 1 ATOM 992 O O . GLN 22 943 ? B 13.041 -19.087 -4.807 1.000 2 B 97.588 1 ATOM 993 C CB . GLN 22 943 ? B 11.581 -19.072 -7.698 1.000 2 B 97.588 1 ATOM 994 C CG . GLN 22 943 ? B 10.241 -18.648 -8.285 1.000 2 B 97.588 1 ATOM 995 C CD . GLN 22 943 ? B 9.620 -19.719 -9.162 1.000 2 B 97.588 1 ATOM 996 O OE1 . GLN 22 943 ? B 10.161 -20.069 -10.215 1.000 2 B 97.588 1 ATOM 997 N NE2 . GLN 22 943 ? B 8.477 -20.246 -8.735 1.000 2 B 97.588 1 ATOM 998 N N . ARG 23 944 ? B 14.466 -18.625 -6.437 1.000 2 B 96.598 1 ATOM 999 C CA . ARG 23 944 ? B 15.576 -19.272 -5.745 1.000 2 B 96.598 1 ATOM 1000 C C . ARG 23 944 ? B 16.161 -18.357 -4.674 1.000 2 B 96.598 1 ATOM 1001 O O . ARG 23 944 ? B 16.373 -18.782 -3.536 1.000 2 B 96.598 1 ATOM 1002 C CB . ARG 23 944 ? B 16.665 -19.679 -6.739 1.000 2 B 96.598 1 ATOM 1003 C CG . ARG 23 944 ? B 16.311 -20.898 -7.576 1.000 2 B 96.598 1 ATOM 1004 C CD . ARG 23 944 ? B 17.509 -21.408 -8.364 1.000 2 B 96.598 1 ATOM 1005 N NE . ARG 23 944 ? B 17.928 -20.454 -9.387 1.000 2 B 96.598 1 ATOM 1006 C CZ . ARG 23 944 ? B 19.104 -20.476 -10.008 1.000 2 B 96.598 1 ATOM 1007 N NH1 . ARG 23 944 ? B 20.005 -21.409 -9.721 1.000 2 B 96.598 1 ATOM 1008 N NH2 . ARG 23 944 ? B 19.382 -19.559 -10.922 1.000 2 B 96.598 1 ATOM 1009 N N . ILE 24 945 ? B 16.385 -17.095 -5.010 1.000 2 B 96.307 1 ATOM 1010 C CA . ILE 24 945 ? B 17.148 -16.180 -4.168 1.000 2 B 96.307 1 ATOM 1011 C C . ILE 24 945 ? B 16.278 -15.697 -3.010 1.000 2 B 96.307 1 ATOM 1012 O O . ILE 24 945 ? B 16.792 -15.328 -1.951 1.000 2 B 96.307 1 ATOM 1013 C CB . ILE 24 945 ? B 17.679 -14.976 -4.978 1.000 2 B 96.307 1 ATOM 1014 C CG1 . ILE 24 945 ? B 18.735 -15.437 -5.989 1.000 2 B 96.307 1 ATOM 1015 C CG2 . ILE 24 945 ? B 18.246 -13.904 -4.043 1.000 2 B 96.307 1 ATOM 1016 C CD1 . ILE 24 945 ? B 18.704 -14.676 -7.307 1.000 2 B 96.307 1 ATOM 1017 N N . ILE 25 946 ? B 14.956 -15.685 -3.200 1.000 2 B 95.893 1 ATOM 1018 C CA . ILE 25 946 ? B 14.046 -15.109 -2.216 1.000 2 B 95.893 1 ATOM 1019 C C . ILE 25 946 ? B 14.187 -15.849 -0.887 1.000 2 B 95.893 1 ATOM 1020 O O . ILE 25 946 ? B 14.009 -15.259 0.181 1.000 2 B 95.893 1 ATOM 1021 C CB . ILE 25 946 ? B 12.581 -15.158 -2.704 1.000 2 B 95.893 1 ATOM 1022 C CG1 . ILE 25 946 ? B 11.695 -14.266 -1.827 1.000 2 B 95.893 1 ATOM 1023 C CG2 . ILE 25 946 ? B 12.064 -16.600 -2.717 1.000 2 B 95.893 1 ATOM 1024 C CD1 . ILE 25 946 ? B 10.320 -13.987 -2.417 1.000 2 B 95.893 1 ATOM 1025 N N . TYR 26 947 ? B 14.606 -17.157 -0.964 1.000 2 B 94.663 1 ATOM 1026 C CA . TYR 26 947 ? B 14.755 -17.971 0.238 1.000 2 B 94.663 1 ATOM 1027 C C . TYR 26 947 ? B 16.051 -17.635 0.966 1.000 2 B 94.663 1 ATOM 1028 O O . TYR 26 947 ? B 16.214 -17.969 2.142 1.000 2 B 94.663 1 ATOM 1029 C CB . TYR 26 947 ? B 14.725 -19.461 -0.116 1.000 2 B 94.663 1 ATOM 1030 C CG . TYR 26 947 ? B 13.369 -19.952 -0.562 1.000 2 B 94.663 1 ATOM 1031 C CD1 . TYR 26 947 ? B 12.367 -20.226 0.366 1.000 2 B 94.663 1 ATOM 1032 C CD2 . TYR 26 947 ? B 13.089 -20.144 -1.910 1.000 2 B 94.663 1 ATOM 1033 C CE1 . TYR 26 947 ? B 11.116 -20.680 -0.040 1.000 2 B 94.663 1 ATOM 1034 C CE2 . TYR 26 947 ? B 11.842 -20.598 -2.328 1.000 2 B 94.663 1 ATOM 1035 C CZ . TYR 26 947 ? B 10.864 -20.863 -1.387 1.000 2 B 94.663 1 ATOM 1036 O OH . TYR 26 947 ? B 9.628 -21.313 -1.795 1.000 2 B 94.663 1 ATOM 1037 N N . GLU 27 948 ? B 16.919 -16.950 0.364 1.000 2 B 95.175 1 ATOM 1038 C CA . GLU 27 948 ? B 18.195 -16.561 0.957 1.000 2 B 95.175 1 ATOM 1039 C C . GLU 27 948 ? B 18.113 -15.169 1.578 1.000 2 B 95.175 1 ATOM 1040 O O . GLU 27 948 ? B 19.036 -14.739 2.273 1.000 2 B 95.175 1 ATOM 1041 C CB . GLU 27 948 ? B 19.311 -16.605 -0.090 1.000 2 B 95.175 1 ATOM 1042 C CG . GLU 27 948 ? B 19.585 -17.998 -0.638 1.000 2 B 95.175 1 ATOM 1043 C CD . GLU 27 948 ? B 20.707 -18.029 -1.664 1.000 2 B 95.175 1 ATOM 1044 O OE1 . GLU 27 948 ? B 20.798 -19.011 -2.435 1.000 2 B 95.175 1 ATOM 1045 O OE2 . GLU 27 948 ? B 21.502 -17.063 -1.696 1.000 2 B 95.175 1 ATOM 1046 N N . VAL 28 949 ? B 17.030 -14.508 1.296 1.000 2 B 94.743 1 ATOM 1047 C CA . VAL 28 949 ? B 16.808 -13.158 1.804 1.000 2 B 94.743 1 ATOM 1048 C C . VAL 28 949 ? B 16.008 -13.219 3.103 1.000 2 B 94.743 1 ATOM 1049 O O . VAL 28 949 ? B 14.903 -13.767 3.134 1.000 2 B 94.743 1 ATOM 1050 C CB . VAL 28 949 ? B 16.076 -12.275 0.769 1.000 2 B 94.743 1 ATOM 1051 C CG1 . VAL 28 949 ? B 15.870 -10.863 1.313 1.000 2 B 94.743 1 ATOM 1052 C CG2 . VAL 28 949 ? B 16.856 -12.236 -0.544 1.000 2 B 94.743 1 ATOM 1053 N N . ASP 29 950 ? B 16.535 -12.725 4.204 1.000 2 B 92.101 1 ATOM 1054 C CA . ASP 29 950 ? B 15.866 -12.755 5.501 1.000 2 B 92.101 1 ATOM 1055 C C . ASP 29 950 ? B 14.498 -12.079 5.428 1.000 2 B 92.101 1 ATOM 1056 O O . ASP 29 950 ? B 13.504 -12.625 5.911 1.000 2 B 92.101 1 ATOM 1057 C CB . ASP 29 950 ? B 16.731 -12.080 6.567 1.000 2 B 92.101 1 ATOM 1058 C CG . ASP 29 950 ? B 17.967 -12.887 6.925 1.000 2 B 92.101 1 ATOM 1059 O OD1 . ASP 29 950 ? B 17.954 -14.126 6.765 1.000 2 B 92.101 1 ATOM 1060 O OD2 . ASP 29 950 ? B 18.961 -12.277 7.375 1.000 2 B 92.101 1 ATOM 1061 N N . ASP 30 951 ? B 14.429 -10.907 4.913 1.000 2 B 93.728 1 ATOM 1062 C CA . ASP 30 951 ? B 13.195 -10.150 4.731 1.000 2 B 93.728 1 ATOM 1063 C C . ASP 30 951 ? B 13.099 -9.589 3.314 1.000 2 B 93.728 1 ATOM 1064 O O . ASP 30 951 ? B 13.715 -8.568 3.001 1.000 2 B 93.728 1 ATOM 1065 C CB . ASP 30 951 ? B 13.106 -9.014 5.753 1.000 2 B 93.728 1 ATOM 1066 C CG . ASP 30 951 ? B 11.805 -8.237 5.664 1.000 2 B 93.728 1 ATOM 1067 O OD1 . ASP 30 951 ? B 10.904 -8.640 4.897 1.000 2 B 93.728 1 ATOM 1068 O OD2 . ASP 30 951 ? B 11.680 -7.210 6.366 1.000 2 B 93.728 1 ATOM 1069 N N . PRO 31 952 ? B 12.283 -10.262 2.482 1.000 2 B 95.520 1 ATOM 1070 C CA . PRO 31 952 ? B 12.180 -9.836 1.084 1.000 2 B 95.520 1 ATOM 1071 C C . PRO 31 952 ? B 11.428 -8.517 0.923 1.000 2 B 95.520 1 ATOM 1072 O O . PRO 31 952 ? B 11.385 -7.956 -0.175 1.000 2 B 95.520 1 ATOM 1073 C CB . PRO 31 952 ? B 11.415 -10.985 0.421 1.000 2 B 95.520 1 ATOM 1074 C CG . PRO 31 952 ? B 10.696 -11.662 1.543 1.000 2 B 95.520 1 ATOM 1075 C CD . PRO 31 952 ? B 11.492 -11.473 2.803 1.000 2 B 95.520 1 ATOM 1076 N N . SER 32 953 ? B 10.855 -7.987 1.963 1.000 2 B 96.311 1 ATOM 1077 C CA . SER 32 953 ? B 10.137 -6.717 1.925 1.000 2 B 96.311 1 ATOM 1078 C C . SER 32 953 ? B 11.085 -5.539 2.124 1.000 2 B 96.311 1 ATOM 1079 O O . SER 32 953 ? B 10.666 -4.381 2.067 1.000 2 B 96.311 1 ATOM 1080 C CB . SER 32 953 ? B 9.044 -6.687 2.994 1.000 2 B 96.311 1 ATOM 1081 O OG . SER 32 953 ? B 8.045 -7.655 2.719 1.000 2 B 96.311 1 ATOM 1082 N N . LEU 33 954 ? B 12.407 -5.868 2.337 1.000 2 B 96.078 1 ATOM 1083 C CA . LEU 33 954 ? B 13.393 -4.812 2.542 1.000 2 B 96.078 1 ATOM 1084 C C . LEU 33 954 ? B 13.695 -4.089 1.234 1.000 2 B 96.078 1 ATOM 1085 O O . LEU 33 954 ? B 13.776 -4.718 0.176 1.000 2 B 96.078 1 ATOM 1086 C CB . LEU 33 954 ? B 14.683 -5.391 3.129 1.000 2 B 96.078 1 ATOM 1087 C CG . LEU 33 954 ? B 14.635 -5.799 4.602 1.000 2 B 96.078 1 ATOM 1088 C CD1 . LEU 33 954 ? B 15.939 -6.478 5.007 1.000 2 B 96.078 1 ATOM 1089 C CD2 . LEU 33 954 ? B 14.361 -4.586 5.484 1.000 2 B 96.078 1 ATOM 1090 N N . PRO 34 955 ? B 13.796 -2.768 1.353 1.000 2 B 95.976 1 ATOM 1091 C CA . PRO 34 955 ? B 14.086 -1.962 0.164 1.000 2 B 95.976 1 ATOM 1092 C C . PRO 34 955 ? B 15.578 -1.693 -0.016 1.000 2 B 95.976 1 ATOM 1093 O O . PRO 34 955 ? B 16.391 -2.125 0.805 1.000 2 B 95.976 1 ATOM 1094 C CB . PRO 34 955 ? B 13.324 -0.661 0.426 1.000 2 B 95.976 1 ATOM 1095 C CG . PRO 34 955 ? B 13.451 -0.433 1.898 1.000 2 B 95.976 1 ATOM 1096 C CD . PRO 34 955 ? B 13.463 -1.767 2.588 1.000 2 B 95.976 1 ATOM 1097 N N . ASN 35 956 ? B 15.943 -1.162 -1.215 1.000 2 B 93.995 1 ATOM 1098 C CA . ASN 35 956 ? B 17.275 -0.590 -1.380 1.000 2 B 93.995 1 ATOM 1099 C C . ASN 35 956 ? B 17.376 0.790 -0.737 1.000 2 B 93.995 1 ATOM 1100 O O . ASN 35 956 ? B 16.511 1.178 0.049 1.000 2 B 93.995 1 ATOM 1101 C CB . ASN 35 956 ? B 17.648 -0.514 -2.862 1.000 2 B 93.995 1 ATOM 1102 C CG . ASN 35 956 ? B 16.788 0.470 -3.631 1.000 2 B 93.995 1 ATOM 1103 O OD1 . ASN 35 956 ? B 16.087 1.295 -3.039 1.000 2 B 93.995 1 ATOM 1104 N ND2 . ASN 35 956 ? B 16.836 0.391 -4.955 1.000 2 B 93.995 1 ATOM 1105 N N . ASP 36 957 ? B 18.498 1.568 -1.003 1.000 2 B 91.111 1 ATOM 1106 C CA . ASP 36 957 ? B 18.749 2.854 -0.359 1.000 2 B 91.111 1 ATOM 1107 C C . ASP 36 957 ? B 17.726 3.898 -0.799 1.000 2 B 91.111 1 ATOM 1108 O O . ASP 36 957 ? B 17.519 4.900 -0.111 1.000 2 B 91.111 1 ATOM 1109 C CB . ASP 36 957 ? B 20.166 3.342 -0.669 1.000 2 B 91.111 1 ATOM 1110 C CG . ASP 36 957 ? B 20.466 3.386 -2.157 1.000 2 B 91.111 1 ATOM 1111 O OD1 . ASP 36 957 ? B 19.707 2.786 -2.950 1.000 2 B 91.111 1 ATOM 1112 O OD2 . ASP 36 957 ? B 21.471 4.022 -2.539 1.000 2 B 91.111 1 ATOM 1113 N N . GLU 37 958 ? B 16.941 3.655 -1.810 1.000 2 B 89.937 1 ATOM 1114 C CA . GLU 37 958 ? B 15.903 4.559 -2.296 1.000 2 B 89.937 1 ATOM 1115 C C . GLU 37 958 ? B 14.525 4.141 -1.789 1.000 2 B 89.937 1 ATOM 1116 O O . GLU 37 958 ? B 13.519 4.772 -2.119 1.000 2 B 89.937 1 ATOM 1117 C CB . GLU 37 958 ? B 15.907 4.609 -3.826 1.000 2 B 89.937 1 ATOM 1118 C CG . GLU 37 958 ? B 17.170 5.217 -4.418 1.000 2 B 89.937 1 ATOM 1119 C CD . GLU 37 958 ? B 17.132 5.322 -5.935 1.000 2 B 89.937 1 ATOM 1120 O OE1 . GLU 37 958 ? B 17.992 6.022 -6.516 1.000 2 B 89.937 1 ATOM 1121 O OE2 . GLU 37 958 ? B 16.236 4.699 -6.546 1.000 2 B 89.937 1 ATOM 1122 N N . GLY 38 959 ? B 14.508 3.080 -1.050 1.000 2 B 92.927 1 ATOM 1123 C CA . GLY 38 959 ? B 13.247 2.587 -0.518 1.000 2 B 92.927 1 ATOM 1124 C C . GLY 38 959 ? B 12.509 1.675 -1.479 1.000 2 B 92.927 1 ATOM 1125 O O . GLY 38 959 ? B 11.361 1.303 -1.232 1.000 2 B 92.927 1 ATOM 1126 N N . ILE 39 960 ? B 13.098 1.317 -2.594 1.000 2 B 96.576 1 ATOM 1127 C CA . ILE 39 960 ? B 12.468 0.512 -3.635 1.000 2 B 96.576 1 ATOM 1128 C C . ILE 39 960 ? B 12.613 -0.971 -3.300 1.000 2 B 96.576 1 ATOM 1129 O O . ILE 39 960 ? B 13.728 -1.466 -3.118 1.000 2 B 96.576 1 ATOM 1130 C CB . ILE 39 960 ? B 13.075 0.810 -5.025 1.000 2 B 96.576 1 ATOM 1131 C CG1 . ILE 39 960 ? B 12.851 2.279 -5.401 1.000 2 B 96.576 1 ATOM 1132 C CG2 . ILE 39 960 ? B 12.481 -0.124 -6.084 1.000 2 B 96.576 1 ATOM 1133 C CD1 . ILE 39 960 ? B 13.513 2.690 -6.709 1.000 2 B 96.576 1 ATOM 1134 N N . THR 40 961 ? B 11.521 -1.689 -3.278 1.000 2 B 98.000 1 ATOM 1135 C CA . THR 40 961 ? B 11.512 -3.119 -2.988 1.000 2 B 98.000 1 ATOM 1136 C C . THR 40 961 ? B 11.488 -3.932 -4.279 1.000 2 B 98.000 1 ATOM 1137 O O . THR 40 961 ? B 11.340 -3.374 -5.368 1.000 2 B 98.000 1 ATOM 1138 C CB . THR 40 961 ? B 10.305 -3.504 -2.112 1.000 2 B 98.000 1 ATOM 1139 O OG1 . THR 40 961 ? B 9.100 -3.335 -2.869 1.000 2 B 98.000 1 ATOM 1140 C CG2 . THR 40 961 ? B 10.233 -2.634 -0.862 1.000 2 B 98.000 1 ATOM 1141 N N . ALA 41 962 ? B 11.700 -5.269 -4.127 1.000 2 B 98.170 1 ATOM 1142 C CA . ALA 41 962 ? B 11.597 -6.174 -5.269 1.000 2 B 98.170 1 ATOM 1143 C C . ALA 41 962 ? B 10.210 -6.106 -5.900 1.000 2 B 98.170 1 ATOM 1144 O O . ALA 41 962 ? B 10.073 -6.171 -7.124 1.000 2 B 98.170 1 ATOM 1145 C CB . ALA 41 962 ? B 11.915 -7.606 -4.844 1.000 2 B 98.170 1 ATOM 1146 N N . LEU 42 963 ? B 9.193 -5.925 -5.062 1.000 2 B 98.478 1 ATOM 1147 C CA . LEU 42 963 ? B 7.824 -5.824 -5.556 1.000 2 B 98.478 1 ATOM 1148 C C . LEU 42 963 ? B 7.640 -4.562 -6.392 1.000 2 B 98.478 1 ATOM 1149 O O . LEU 42 963 ? B 7.015 -4.602 -7.455 1.000 2 B 98.478 1 ATOM 1150 C CB . LEU 42 963 ? B 6.832 -5.827 -4.390 1.000 2 B 98.478 1 ATOM 1151 C CG . LEU 42 963 ? B 5.348 -5.839 -4.762 1.000 2 B 98.478 1 ATOM 1152 C CD1 . LEU 42 963 ? B 5.042 -7.018 -5.680 1.000 2 B 98.478 1 ATOM 1153 C CD2 . LEU 42 963 ? B 4.483 -5.893 -3.508 1.000 2 B 98.478 1 ATOM 1154 N N . HIS 43 964 ? B 8.188 -3.429 -5.967 1.000 2 B 98.379 1 ATOM 1155 C CA . HIS 43 964 ? B 8.174 -2.223 -6.787 1.000 2 B 98.379 1 ATOM 1156 C C . HIS 43 964 ? B 8.757 -2.490 -8.170 1.000 2 B 98.379 1 ATOM 1157 O O . HIS 43 964 ? B 8.158 -2.121 -9.183 1.000 2 B 98.379 1 ATOM 1158 C CB . HIS 43 964 ? B 8.950 -1.098 -6.099 1.000 2 B 98.379 1 ATOM 1159 C CG . HIS 43 964 ? B 8.141 -0.337 -5.096 1.000 2 B 98.379 1 ATOM 1160 N ND1 . HIS 43 964 ? B 7.167 0.567 -5.458 1.000 2 B 98.379 1 ATOM 1161 C CD2 . HIS 43 964 ? B 8.163 -0.351 -3.743 1.000 2 B 98.379 1 ATOM 1162 C CE1 . HIS 43 964 ? B 6.622 1.079 -4.367 1.000 2 B 98.379 1 ATOM 1163 N NE2 . HIS 43 964 ? B 7.209 0.539 -3.313 1.000 2 B 98.379 1 ATOM 1164 N N . ASN 44 965 ? B 9.913 -3.119 -8.161 1.000 2 B 98.372 1 ATOM 1165 C CA . ASN 44 965 ? B 10.629 -3.377 -9.406 1.000 2 B 98.372 1 ATOM 1166 C C . ASN 44 965 ? B 9.805 -4.240 -10.357 1.000 2 B 98.372 1 ATOM 1167 O O . ASN 44 965 ? B 9.683 -3.924 -11.542 1.000 2 B 98.372 1 ATOM 1168 C CB . ASN 44 965 ? B 11.979 -4.038 -9.123 1.000 2 B 98.372 1 ATOM 1169 C CG . ASN 44 965 ? B 13.014 -3.056 -8.611 1.000 2 B 98.372 1 ATOM 1170 O OD1 . ASN 44 965 ? B 12.872 -1.842 -8.777 1.000 2 B 98.372 1 ATOM 1171 N ND2 . ASN 44 965 ? B 14.064 -3.574 -7.983 1.000 2 B 98.372 1 ATOM 1172 N N . ALA 45 966 ? B 9.265 -5.255 -9.848 1.000 2 B 98.659 1 ATOM 1173 C CA . ALA 45 966 ? B 8.473 -6.178 -10.657 1.000 2 B 98.659 1 ATOM 1174 C C . ALA 45 966 ? B 7.234 -5.489 -11.221 1.000 2 B 98.659 1 ATOM 1175 O O . ALA 45 966 ? B 6.889 -5.679 -12.390 1.000 2 B 98.659 1 ATOM 1176 C CB . ALA 45 966 ? B 8.071 -7.398 -9.831 1.000 2 B 98.659 1 ATOM 1177 N N . VAL 46 967 ? B 6.575 -4.654 -10.414 1.000 2 B 98.539 1 ATOM 1178 C CA . VAL 46 967 ? B 5.378 -3.932 -10.831 1.000 2 B 98.539 1 ATOM 1179 C C . VAL 46 967 ? B 5.734 -2.928 -11.924 1.000 2 B 98.539 1 ATOM 1180 O O . VAL 46 967 ? B 5.094 -2.894 -12.977 1.000 2 B 98.539 1 ATOM 1181 C CB . VAL 46 967 ? B 4.708 -3.209 -9.641 1.000 2 B 98.539 1 ATOM 1182 C CG1 . VAL 46 967 ? B 3.655 -2.218 -10.134 1.000 2 B 98.539 1 ATOM 1183 C CG2 . VAL 46 967 ? B 4.085 -4.223 -8.683 1.000 2 B 98.539 1 ATOM 1184 N N . CYS 47 968 ? B 6.732 -2.189 -11.725 1.000 2 B 97.715 1 ATOM 1185 C CA . CYS 47 968 ? B 7.118 -1.151 -12.675 1.000 2 B 97.715 1 ATOM 1186 C C . CYS 47 968 ? B 7.563 -1.761 -13.998 1.000 2 B 97.715 1 ATOM 1187 O O . CYS 47 968 ? B 7.359 -1.169 -15.059 1.000 2 B 97.715 1 ATOM 1188 C CB . CYS 47 968 ? B 8.240 -0.288 -12.098 1.000 2 B 97.715 1 ATOM 1189 S SG . CYS 47 968 ? B 7.689 0.860 -10.816 1.000 2 B 97.715 1 ATOM 1190 N N . ALA 48 969 ? B 8.166 -2.962 -13.836 1.000 2 B 98.029 1 ATOM 1191 C CA . ALA 48 969 ? B 8.667 -3.631 -15.033 1.000 2 B 98.029 1 ATOM 1192 C C . ALA 48 969 ? B 7.566 -4.442 -15.711 1.000 2 B 98.029 1 ATOM 1193 O O . ALA 48 969 ? B 7.764 -4.976 -16.805 1.000 2 B 98.029 1 ATOM 1194 C CB . ALA 48 969 ? B 9.849 -4.532 -14.684 1.000 2 B 98.029 1 ATOM 1195 N N . GLY 49 970 ? B 6.408 -4.594 -15.131 1.000 2 B 97.229 1 ATOM 1196 C CA . GLY 49 970 ? B 5.265 -5.283 -15.709 1.000 2 B 97.229 1 ATOM 1197 C C . GLY 49 970 ? B 5.401 -6.793 -15.678 1.000 2 B 97.229 1 ATOM 1198 O O . GLY 49 970 ? B 4.864 -7.488 -16.543 1.000 2 B 97.229 1 ATOM 1199 N N . HIS 50 971 ? B 6.225 -7.335 -14.788 1.000 2 B 98.283 1 ATOM 1200 C CA . HIS 50 971 ? B 6.362 -8.779 -14.636 1.000 2 B 98.283 1 ATOM 1201 C C . HIS 50 971 ? B 5.323 -9.332 -13.666 1.000 2 B 98.283 1 ATOM 1202 O O . HIS 50 971 ? B 5.599 -9.486 -12.474 1.000 2 B 98.283 1 ATOM 1203 C CB . HIS 50 971 ? B 7.770 -9.136 -14.156 1.000 2 B 98.283 1 ATOM 1204 C CG . HIS 50 971 ? B 8.854 -8.653 -15.065 1.000 2 B 98.283 1 ATOM 1205 N ND1 . HIS 50 971 ? B 8.880 -8.944 -16.412 1.000 2 B 98.283 1 ATOM 1206 C CD2 . HIS 50 971 ? B 9.950 -7.897 -14.819 1.000 2 B 98.283 1 ATOM 1207 C CE1 . HIS 50 971 ? B 9.948 -8.385 -16.957 1.000 2 B 98.283 1 ATOM 1208 N NE2 . HIS 50 971 ? B 10.614 -7.744 -16.011 1.000 2 B 98.283 1 ATOM 1209 N N . THR 51 972 ? B 4.137 -9.657 -14.159 1.000 2 B 97.809 1 ATOM 1210 C CA . THR 51 972 ? B 2.956 -9.997 -13.373 1.000 2 B 97.809 1 ATOM 1211 C C . THR 51 972 ? B 3.171 -11.301 -12.610 1.000 2 B 97.809 1 ATOM 1212 O O . THR 51 972 ? B 2.738 -11.435 -11.464 1.000 2 B 97.809 1 ATOM 1213 C CB . THR 51 972 ? B 1.707 -10.120 -14.265 1.000 2 B 97.809 1 ATOM 1214 O OG1 . THR 51 972 ? B 1.548 -8.915 -15.023 1.000 2 B 97.809 1 ATOM 1215 C CG2 . THR 51 972 ? B 0.453 -10.350 -13.428 1.000 2 B 97.809 1 ATOM 1216 N N . GLU 52 973 ? B 3.852 -12.230 -13.195 1.000 2 B 98.042 1 ATOM 1217 C CA . GLU 52 973 ? B 4.092 -13.506 -12.529 1.000 2 B 98.042 1 ATOM 1218 C C . GLU 52 973 ? B 4.984 -13.330 -11.303 1.000 2 B 98.042 1 ATOM 1219 O O . GLU 52 973 ? B 4.752 -13.953 -10.265 1.000 2 B 98.042 1 ATOM 1220 C CB . GLU 52 973 ? B 4.722 -14.509 -13.498 1.000 2 B 98.042 1 ATOM 1221 C CG . GLU 52 973 ? B 3.796 -14.939 -14.627 1.000 2 B 98.042 1 ATOM 1222 C CD . GLU 52 973 ? B 2.497 -15.555 -14.135 1.000 2 B 98.042 1 ATOM 1223 O OE1 . GLU 52 973 ? B 1.423 -15.236 -14.694 1.000 2 B 98.042 1 ATOM 1224 O OE2 . GLU 52 973 ? B 2.552 -16.364 -13.182 1.000 2 B 98.042 1 ATOM 1225 N N . ILE 53 974 ? B 5.925 -12.513 -11.456 1.000 2 B 98.574 1 ATOM 1226 C CA . ILE 53 974 ? B 6.821 -12.240 -10.338 1.000 2 B 98.574 1 ATOM 1227 C C . ILE 53 974 ? B 6.070 -11.475 -9.250 1.000 2 B 98.574 1 ATOM 1228 O O . ILE 53 974 ? B 6.228 -11.760 -8.061 1.000 2 B 98.574 1 ATOM 1229 C CB . ILE 53 974 ? B 8.065 -11.444 -10.791 1.000 2 B 98.574 1 ATOM 1230 C CG1 . ILE 53 974 ? B 8.920 -12.287 -11.744 1.000 2 B 98.574 1 ATOM 1231 C CG2 . ILE 53 974 ? B 8.884 -10.986 -9.580 1.000 2 B 98.574 1 ATOM 1232 C CD1 . ILE 53 974 ? B 10.135 -11.555 -12.297 1.000 2 B 98.574 1 ATOM 1233 N N . VAL 54 975 ? B 5.213 -10.563 -9.655 1.000 2 B 98.496 1 ATOM 1234 C CA . VAL 54 975 ? B 4.393 -9.810 -8.711 1.000 2 B 98.496 1 ATOM 1235 C C . VAL 54 975 ? B 3.534 -10.770 -7.892 1.000 2 B 98.496 1 ATOM 1236 O O . VAL 54 975 ? B 3.532 -10.715 -6.660 1.000 2 B 98.496 1 ATOM 1237 C CB . VAL 54 975 ? B 3.498 -8.779 -9.434 1.000 2 B 98.496 1 ATOM 1238 C CG1 . VAL 54 975 ? B 2.506 -8.146 -8.459 1.000 2 B 98.496 1 ATOM 1239 C CG2 . VAL 54 975 ? B 4.354 -7.704 -10.102 1.000 2 B 98.496 1 ATOM 1240 N N . LYS 55 976 ? B 2.867 -11.636 -8.548 1.000 2 B 98.183 1 ATOM 1241 C CA . LYS 55 976 ? B 1.992 -12.597 -7.883 1.000 2 B 98.183 1 ATOM 1242 C C . LYS 55 976 ? B 2.778 -13.483 -6.920 1.000 2 B 98.183 1 ATOM 1243 O O . LYS 55 976 ? B 2.335 -13.734 -5.798 1.000 2 B 98.183 1 ATOM 1244 C CB . LYS 55 976 ? B 1.261 -13.461 -8.912 1.000 2 B 98.183 1 ATOM 1245 C CG . LYS 55 976 ? B 0.191 -12.717 -9.697 1.000 2 B 98.183 1 ATOM 1246 C CD . LYS 55 976 ? B -0.527 -13.638 -10.674 1.000 2 B 98.183 1 ATOM 1247 C CE . LYS 55 976 ? B -1.585 -12.890 -11.475 1.000 2 B 98.183 1 ATOM 1248 N NZ . LYS 55 976 ? B -2.244 -13.773 -12.483 1.000 2 B 98.183 1 ATOM 1249 N N . PHE 56 977 ? B 3.874 -13.935 -7.383 1.000 2 B 97.981 1 ATOM 1250 C CA . PHE 56 977 ? B 4.717 -14.804 -6.570 1.000 2 B 97.981 1 ATOM 1251 C C . PHE 56 977 ? B 5.172 -14.087 -5.304 1.000 2 B 97.981 1 ATOM 1252 O O . PHE 56 977 ? B 5.079 -14.638 -4.206 1.000 2 B 97.981 1 ATOM 1253 C CB . PHE 56 977 ? B 5.934 -15.276 -7.372 1.000 2 B 97.981 1 ATOM 1254 C CG . PHE 56 977 ? B 6.950 -16.021 -6.550 1.000 2 B 97.981 1 ATOM 1255 C CD1 . PHE 56 977 ? B 8.151 -15.421 -6.193 1.000 2 B 97.981 1 ATOM 1256 C CD2 . PHE 56 977 ? B 6.705 -17.323 -6.133 1.000 2 B 97.981 1 ATOM 1257 C CE1 . PHE 56 977 ? B 9.094 -16.108 -5.432 1.000 2 B 97.981 1 ATOM 1258 C CE2 . PHE 56 977 ? B 7.642 -18.017 -5.373 1.000 2 B 97.981 1 ATOM 1259 C CZ . PHE 56 977 ? B 8.836 -17.408 -5.024 1.000 2 B 97.981 1 ATOM 1260 N N . LEU 57 978 ? B 5.670 -12.856 -5.452 1.000 2 B 98.086 1 ATOM 1261 C CA . LEU 57 978 ? B 6.186 -12.101 -4.316 1.000 2 B 98.086 1 ATOM 1262 C C . LEU 57 978 ? B 5.085 -11.837 -3.293 1.000 2 B 98.086 1 ATOM 1263 O O . LEU 57 978 ? B 5.307 -11.974 -2.088 1.000 2 B 98.086 1 ATOM 1264 C CB . LEU 57 978 ? B 6.791 -10.775 -4.784 1.000 2 B 98.086 1 ATOM 1265 C CG . LEU 57 978 ? B 8.096 -10.868 -5.576 1.000 2 B 98.086 1 ATOM 1266 C CD1 . LEU 57 978 ? B 8.481 -9.498 -6.126 1.000 2 B 98.086 1 ATOM 1267 C CD2 . LEU 57 978 ? B 9.213 -11.432 -4.704 1.000 2 B 98.086 1 ATOM 1268 N N . VAL 58 979 ? B 3.911 -11.455 -3.810 1.000 2 B 97.729 1 ATOM 1269 C CA . VAL 58 979 ? B 2.782 -11.156 -2.934 1.000 2 B 97.729 1 ATOM 1270 C C . VAL 58 979 ? B 2.347 -12.423 -2.201 1.000 2 B 97.729 1 ATOM 1271 O O . VAL 58 979 ? B 2.130 -12.402 -0.987 1.000 2 B 97.729 1 ATOM 1272 C CB . VAL 58 979 ? B 1.594 -10.563 -3.723 1.000 2 B 97.729 1 ATOM 1273 C CG1 . VAL 58 979 ? B 0.349 -10.476 -2.841 1.000 2 B 97.729 1 ATOM 1274 C CG2 . VAL 58 979 ? B 1.956 -9.186 -4.278 1.000 2 B 97.729 1 ATOM 1275 N N . GLN 59 980 ? B 2.296 -13.532 -2.856 1.000 2 B 96.339 1 ATOM 1276 C CA . GLN 59 980 ? B 1.881 -14.794 -2.251 1.000 2 B 96.339 1 ATOM 1277 C C . GLN 59 980 ? B 2.909 -15.282 -1.235 1.000 2 B 96.339 1 ATOM 1278 O O . GLN 59 980 ? B 2.566 -15.996 -0.291 1.000 2 B 96.339 1 ATOM 1279 C CB . GLN 59 980 ? B 1.661 -15.858 -3.327 1.000 2 B 96.339 1 ATOM 1280 C CG . GLN 59 980 ? B 0.415 -15.630 -4.173 1.000 2 B 96.339 1 ATOM 1281 C CD . GLN 59 980 ? B 0.302 -16.607 -5.327 1.000 2 B 96.339 1 ATOM 1282 O OE1 . GLN 59 980 ? B 1.252 -17.331 -5.641 1.000 2 B 96.339 1 ATOM 1283 N NE2 . GLN 59 980 ? B -0.861 -16.635 -5.969 1.000 2 B 96.339 1 ATOM 1284 N N . PHE 60 981 ? B 4.164 -14.854 -1.575 1.000 2 B 96.019 1 ATOM 1285 C CA . PHE 60 981 ? B 5.228 -15.201 -0.639 1.000 2 B 96.019 1 ATOM 1286 C C . PHE 60 981 ? B 5.089 -14.410 0.656 1.000 2 B 96.019 1 ATOM 1287 O O . PHE 60 981 ? B 5.672 -14.776 1.679 1.000 2 B 96.019 1 ATOM 1288 C CB . PHE 60 981 ? B 6.602 -14.943 -1.266 1.000 2 B 96.019 1 ATOM 1289 C CG . PHE 60 981 ? B 7.741 -15.572 -0.511 1.000 2 B 96.019 1 ATOM 1290 C CD1 . PHE 60 981 ? B 8.400 -14.871 0.491 1.000 2 B 96.019 1 ATOM 1291 C CD2 . PHE 60 981 ? B 8.154 -16.866 -0.804 1.000 2 B 96.019 1 ATOM 1292 C CE1 . PHE 60 981 ? B 9.455 -15.450 1.192 1.000 2 B 96.019 1 ATOM 1293 C CE2 . PHE 60 981 ? B 9.207 -17.452 -0.107 1.000 2 B 96.019 1 ATOM 1294 C CZ . PHE 60 981 ? B 9.857 -16.742 0.889 1.000 2 B 96.019 1 ATOM 1295 N N . GLY 61 982 ? B 4.381 -13.324 0.653 1.000 2 B 95.367 1 ATOM 1296 C CA . GLY 61 982 ? B 4.148 -12.527 1.846 1.000 2 B 95.367 1 ATOM 1297 C C . GLY 61 982 ? B 4.908 -11.215 1.845 1.000 2 B 95.367 1 ATOM 1298 O O . GLY 61 982 ? B 5.119 -10.613 2.900 1.000 2 B 95.367 1 ATOM 1299 N N . VAL 62 983 ? B 5.441 -10.829 0.668 1.000 2 B 96.787 1 ATOM 1300 C CA . VAL 62 983 ? B 6.112 -9.538 0.571 1.000 2 B 96.787 1 ATOM 1301 C C . VAL 62 983 ? B 5.109 -8.413 0.817 1.000 2 B 96.787 1 ATOM 1302 O O . VAL 62 983 ? B 3.970 -8.475 0.347 1.000 2 B 96.787 1 ATOM 1303 C CB . VAL 62 983 ? B 6.792 -9.353 -0.804 1.000 2 B 96.787 1 ATOM 1304 C CG1 . VAL 62 983 ? B 7.347 -7.937 -0.947 1.000 2 B 96.787 1 ATOM 1305 C CG2 . VAL 62 983 ? B 7.901 -10.387 -0.993 1.000 2 B 96.787 1 ATOM 1306 N N . ASN 63 984 ? B 5.485 -7.396 1.603 1.000 2 B 96.579 1 ATOM 1307 C CA . ASN 63 984 ? B 4.611 -6.304 2.022 1.000 2 B 96.579 1 ATOM 1308 C C . ASN 63 984 ? B 4.133 -5.480 0.830 1.000 2 B 96.579 1 ATOM 1309 O O . ASN 63 984 ? B 4.916 -4.750 0.220 1.000 2 B 96.579 1 ATOM 1310 C CB . ASN 63 984 ? B 5.323 -5.407 3.037 1.000 2 B 96.579 1 ATOM 1311 C CG . ASN 63 984 ? B 4.408 -4.351 3.625 1.000 2 B 96.579 1 ATOM 1312 O OD1 . ASN 63 984 ? B 3.253 -4.213 3.213 1.000 2 B 96.579 1 ATOM 1313 N ND2 . ASN 63 984 ? B 4.917 -3.598 4.593 1.000 2 B 96.579 1 ATOM 1314 N N . VAL 64 985 ? B 2.870 -5.536 0.531 1.000 2 B 97.619 1 ATOM 1315 C CA . VAL 64 985 ? B 2.303 -4.854 -0.628 1.000 2 B 97.619 1 ATOM 1316 C C . VAL 64 985 ? B 2.185 -3.359 -0.341 1.000 2 B 97.619 1 ATOM 1317 O O . VAL 64 985 ? B 1.880 -2.571 -1.239 1.000 2 B 97.619 1 ATOM 1318 C CB . VAL 64 985 ? B 0.922 -5.435 -1.008 1.000 2 B 97.619 1 ATOM 1319 C CG1 . VAL 64 985 ? B 1.058 -6.876 -1.497 1.000 2 B 97.619 1 ATOM 1320 C CG2 . VAL 64 985 ? B -0.034 -5.358 0.181 1.000 2 B 97.619 1 ATOM 1321 N N . ASN 65 986 ? B 2.373 -2.942 0.877 1.000 2 B 97.515 1 ATOM 1322 C CA . ASN 65 986 ? B 2.200 -1.542 1.249 1.000 2 B 97.515 1 ATOM 1323 C C . ASN 65 986 ? B 3.534 -0.883 1.586 1.000 2 B 97.515 1 ATOM 1324 O O . ASN 65 986 ? B 3.566 0.177 2.214 1.000 2 B 97.515 1 ATOM 1325 C CB . ASN 65 986 ? B 1.233 -1.416 2.428 1.000 2 B 97.515 1 ATOM 1326 C CG . ASN 65 986 ? B -0.185 -1.814 2.066 1.000 2 B 97.515 1 ATOM 1327 O OD1 . ASN 65 986 ? B -0.720 -1.386 1.040 1.000 2 B 97.515 1 ATOM 1328 N ND2 . ASN 65 986 ? B -0.803 -2.637 2.905 1.000 2 B 97.515 1 ATOM 1329 N N . ALA 66 987 ? B 4.658 -1.549 1.198 1.000 2 B 96.272 1 ATOM 1330 C CA . ALA 66 987 ? B 5.985 -0.977 1.416 1.000 2 B 96.272 1 ATOM 1331 C C . ALA 66 987 ? B 6.203 0.253 0.540 1.000 2 B 96.272 1 ATOM 1332 O O . ALA 66 987 ? B 6.337 0.138 -0.681 1.000 2 B 96.272 1 ATOM 1333 C CB . ALA 66 987 ? B 7.065 -2.020 1.141 1.000 2 B 96.272 1 ATOM 1334 N N . ALA 67 988 ? B 6.243 1.436 1.216 1.000 2 B 95.418 1 ATOM 1335 C CA . ALA 67 988 ? B 6.366 2.692 0.482 1.000 2 B 95.418 1 ATOM 1336 C C . ALA 67 988 ? B 7.831 3.058 0.261 1.000 2 B 95.418 1 ATOM 1337 O O . ALA 67 988 ? B 8.687 2.743 1.090 1.000 2 B 95.418 1 ATOM 1338 C CB . ALA 67 988 ? B 5.646 3.815 1.225 1.000 2 B 95.418 1 ATOM 1339 N N . ASP 68 989 ? B 8.123 3.656 -0.928 1.000 2 B 94.948 1 ATOM 1340 C CA . ASP 68 989 ? B 9.478 4.151 -1.154 1.000 2 B 94.948 1 ATOM 1341 C C . ASP 68 989 ? B 9.708 5.473 -0.426 1.000 2 B 94.948 1 ATOM 1342 O O . ASP 68 989 ? B 8.942 5.836 0.469 1.000 2 B 94.948 1 ATOM 1343 C CB . ASP 68 989 ? B 9.744 4.322 -2.651 1.000 2 B 94.948 1 ATOM 1344 C CG . ASP 68 989 ? B 8.979 5.484 -3.261 1.000 2 B 94.948 1 ATOM 1345 O OD1 . ASP 68 989 ? B 8.260 6.194 -2.524 1.000 2 B 94.948 1 ATOM 1346 O OD2 . ASP 68 989 ? B 9.093 5.689 -4.488 1.000 2 B 94.948 1 ATOM 1347 N N . SER 69 990 ? B 10.784 6.146 -0.704 1.000 2 B 93.312 1 ATOM 1348 C CA . SER 69 990 ? B 11.182 7.340 0.034 1.000 2 B 93.312 1 ATOM 1349 C C . SER 69 990 ? B 10.196 8.482 -0.188 1.000 2 B 93.312 1 ATOM 1350 O O . SER 69 990 ? B 10.108 9.400 0.629 1.000 2 B 93.312 1 ATOM 1351 C CB . SER 69 990 ? B 12.588 7.781 -0.377 1.000 2 B 93.312 1 ATOM 1352 O OG . SER 69 990 ? B 12.652 8.018 -1.773 1.000 2 B 93.312 1 ATOM 1353 N N . ASP 70 991 ? B 9.419 8.440 -1.231 1.000 2 B 94.156 1 ATOM 1354 C CA . ASP 70 991 ? B 8.445 9.486 -1.528 1.000 2 B 94.156 1 ATOM 1355 C C . ASP 70 991 ? B 7.035 9.050 -1.139 1.000 2 B 94.156 1 ATOM 1356 O O . ASP 70 991 ? B 6.061 9.748 -1.429 1.000 2 B 94.156 1 ATOM 1357 C CB . ASP 70 991 ? B 8.490 9.856 -3.013 1.000 2 B 94.156 1 ATOM 1358 C CG . ASP 70 991 ? B 7.674 11.094 -3.340 1.000 2 B 94.156 1 ATOM 1359 O OD1 . ASP 70 991 ? B 7.797 12.112 -2.625 1.000 2 B 94.156 1 ATOM 1360 O OD2 . ASP 70 991 ? B 6.900 11.051 -4.321 1.000 2 B 94.156 1 ATOM 1361 N N . GLY 71 992 ? B 6.877 7.897 -0.555 1.000 2 B 94.831 1 ATOM 1362 C CA . GLY 71 992 ? B 5.575 7.402 -0.138 1.000 2 B 94.831 1 ATOM 1363 C C . GLY 71 992 ? B 4.879 6.579 -1.206 1.000 2 B 94.831 1 ATOM 1364 O O . GLY 71 992 ? B 3.702 6.239 -1.068 1.000 2 B 94.831 1 ATOM 1365 N N . TRP 72 993 ? B 5.612 6.240 -2.302 1.000 2 B 97.100 1 ATOM 1366 C CA . TRP 72 993 ? B 5.045 5.405 -3.355 1.000 2 B 97.100 1 ATOM 1367 C C . TRP 72 993 ? B 4.919 3.957 -2.894 1.000 2 B 97.100 1 ATOM 1368 O O . TRP 72 993 ? B 5.911 3.331 -2.515 1.000 2 B 97.100 1 ATOM 1369 C CB . TRP 72 993 ? B 5.903 5.478 -4.621 1.000 2 B 97.100 1 ATOM 1370 C CG . TRP 72 993 ? B 5.713 6.736 -5.414 1.000 2 B 97.100 1 ATOM 1371 C CD1 . TRP 72 993 ? B 6.071 8.003 -5.047 1.000 2 B 97.100 1 ATOM 1372 C CD2 . TRP 72 993 ? B 5.115 6.847 -6.709 1.000 2 B 97.100 1 ATOM 1373 N NE1 . TRP 72 993 ? B 5.731 8.897 -6.037 1.000 2 B 97.100 1 ATOM 1374 C CE2 . TRP 72 993 ? B 5.143 8.213 -7.067 1.000 2 B 97.100 1 ATOM 1375 C CE3 . TRP 72 993 ? B 4.557 5.923 -7.603 1.000 2 B 97.100 1 ATOM 1376 C CZ2 . TRP 72 993 ? B 4.634 8.677 -8.282 1.000 2 B 97.100 1 ATOM 1377 C CZ3 . TRP 72 993 ? B 4.051 6.387 -8.812 1.000 2 B 97.100 1 ATOM 1378 C CH2 . TRP 72 993 ? B 4.094 7.753 -9.138 1.000 2 B 97.100 1 ATOM 1379 N N . THR 73 994 ? B 3.667 3.506 -2.984 1.000 2 B 97.803 1 ATOM 1380 C CA . THR 73 994 ? B 3.443 2.083 -2.755 1.000 2 B 97.803 1 ATOM 1381 C C . THR 73 994 ? B 3.426 1.319 -4.076 1.000 2 B 97.803 1 ATOM 1382 O O . THR 73 994 ? B 3.382 1.925 -5.149 1.000 2 B 97.803 1 ATOM 1383 C CB . THR 73 994 ? B 2.122 1.840 -2.002 1.000 2 B 97.803 1 ATOM 1384 O OG1 . THR 73 994 ? B 1.022 2.189 -2.851 1.000 2 B 97.803 1 ATOM 1385 C CG2 . THR 73 994 ? B 2.053 2.677 -0.729 1.000 2 B 97.803 1 ATOM 1386 N N . PRO 74 995 ? B 3.517 -0.007 -3.980 1.000 2 B 98.343 1 ATOM 1387 C CA . PRO 74 995 ? B 3.379 -0.768 -5.224 1.000 2 B 98.343 1 ATOM 1388 C C . PRO 74 995 ? B 2.077 -0.463 -5.961 1.000 2 B 98.343 1 ATOM 1389 O O . PRO 74 995 ? B 2.043 -0.480 -7.194 1.000 2 B 98.343 1 ATOM 1390 C CB . PRO 74 995 ? B 3.411 -2.224 -4.751 1.000 2 B 98.343 1 ATOM 1391 C CG . PRO 74 995 ? B 4.288 -2.214 -3.541 1.000 2 B 98.343 1 ATOM 1392 C CD . PRO 74 995 ? B 4.020 -0.955 -2.768 1.000 2 B 98.343 1 ATOM 1393 N N . LEU 75 996 ? B 1.021 -0.185 -5.247 1.000 2 B 98.609 1 ATOM 1394 C CA . LEU 75 996 ? B -0.231 0.208 -5.886 1.000 2 B 98.609 1 ATOM 1395 C C . LEU 75 996 ? B -0.060 1.510 -6.661 1.000 2 B 98.609 1 ATOM 1396 O O . LEU 75 996 ? B -0.579 1.649 -7.771 1.000 2 B 98.609 1 ATOM 1397 C CB . LEU 75 996 ? B -1.340 0.363 -4.842 1.000 2 B 98.609 1 ATOM 1398 C CG . LEU 75 996 ? B -2.738 0.674 -5.379 1.000 2 B 98.609 1 ATOM 1399 C CD1 . LEU 75 996 ? B -3.197 -0.426 -6.330 1.000 2 B 98.609 1 ATOM 1400 C CD2 . LEU 75 996 ? B -3.727 0.842 -4.231 1.000 2 B 98.609 1 ATOM 1401 N N . HIS 76 997 ? B 0.703 2.504 -6.183 1.000 2 B 98.408 1 ATOM 1402 C CA . HIS 76 997 ? B 1.006 3.730 -6.912 1.000 2 B 98.408 1 ATOM 1403 C C . HIS 76 997 ? B 1.778 3.434 -8.193 1.000 2 B 98.408 1 ATOM 1404 O O . HIS 76 997 ? B 1.497 4.019 -9.242 1.000 2 B 98.408 1 ATOM 1405 C CB . HIS 76 997 ? B 1.802 4.694 -6.031 1.000 2 B 98.408 1 ATOM 1406 C CG . HIS 76 997 ? B 0.977 5.368 -4.981 1.000 2 B 98.408 1 ATOM 1407 N ND1 . HIS 76 997 ? B 0.904 4.909 -3.684 1.000 2 B 98.408 1 ATOM 1408 C CD2 . HIS 76 997 ? B 0.192 6.470 -5.039 1.000 2 B 98.408 1 ATOM 1409 C CE1 . HIS 76 997 ? B 0.106 5.702 -2.987 1.000 2 B 98.408 1 ATOM 1410 N NE2 . HIS 76 997 ? B -0.339 6.657 -3.786 1.000 2 B 98.408 1 ATOM 1411 N N . CYS 77 998 ? B 2.717 2.502 -8.070 1.000 2 B 98.082 1 ATOM 1412 C CA . CYS 77 998 ? B 3.525 2.135 -9.227 1.000 2 B 98.082 1 ATOM 1413 C C . CYS 77 998 ? B 2.667 1.491 -10.310 1.000 2 B 98.082 1 ATOM 1414 O O . CYS 77 998 ? B 2.794 1.825 -11.489 1.000 2 B 98.082 1 ATOM 1415 C CB . CYS 77 998 ? B 4.645 1.180 -8.817 1.000 2 B 98.082 1 ATOM 1416 S SG . CYS 77 998 ? B 5.921 1.950 -7.797 1.000 2 B 98.082 1 ATOM 1417 N N . ALA 78 999 ? B 1.828 0.626 -9.897 1.000 2 B 98.481 1 ATOM 1418 C CA . ALA 78 999 ? B 0.926 -0.041 -10.832 1.000 2 B 98.481 1 ATOM 1419 C C . ALA 78 999 ? B -0.016 0.960 -11.493 1.000 2 B 98.481 1 ATOM 1420 O O . ALA 78 999 ? B -0.255 0.893 -12.702 1.000 2 B 98.481 1 ATOM 1421 C CB . ALA 78 999 ? B 0.127 -1.128 -10.117 1.000 2 B 98.481 1 ATOM 1422 N N . ALA 79 1000 ? B -0.528 1.884 -10.736 1.000 2 B 98.432 1 ATOM 1423 C CA . ALA 79 1000 ? B -1.440 2.909 -11.236 1.000 2 B 98.432 1 ATOM 1424 C C . ALA 79 1000 ? B -0.744 3.817 -12.246 1.000 2 B 98.432 1 ATOM 1425 O O . ALA 79 1000 ? B -1.308 4.138 -13.294 1.000 2 B 98.432 1 ATOM 1426 C CB . ALA 79 1000 ? B -1.999 3.735 -10.080 1.000 2 B 98.432 1 ATOM 1427 N N . SER 80 1001 ? B 0.506 4.194 -11.981 1.000 2 B 97.699 1 ATOM 1428 C CA . SER 80 1001 ? B 1.242 5.082 -12.874 1.000 2 B 97.699 1 ATOM 1429 C C . SER 80 1001 ? B 1.562 4.396 -14.198 1.000 2 B 97.699 1 ATOM 1430 O O . SER 80 1001 ? B 1.790 5.062 -15.209 1.000 2 B 97.699 1 ATOM 1431 C CB . SER 80 1001 ? B 2.536 5.557 -12.211 1.000 2 B 97.699 1 ATOM 1432 O OG . SER 80 1001 ? B 3.477 4.500 -12.130 1.000 2 B 97.699 1 ATOM 1433 N N . CYS 81 1002 ? B 1.517 3.095 -14.161 1.000 2 B 97.694 1 ATOM 1434 C CA . CYS 81 1002 ? B 1.736 2.308 -15.370 1.000 2 B 97.694 1 ATOM 1435 C C . CYS 81 1002 ? B 0.412 1.948 -16.033 1.000 2 B 97.694 1 ATOM 1436 O O . CYS 81 1002 ? B 0.384 1.177 -16.994 1.000 2 B 97.694 1 ATOM 1437 C CB . CYS 81 1002 ? B 2.519 1.036 -15.048 1.000 2 B 97.694 1 ATOM 1438 S SG . CYS 81 1002 ? B 4.189 1.345 -14.434 1.000 2 B 97.694 1 ATOM 1439 N N . ASN 82 1003 ? B -0.679 2.427 -15.470 1.000 2 B 98.312 1 ATOM 1440 C CA . ASN 82 1003 ? B -2.029 2.157 -15.954 1.000 2 B 98.312 1 ATOM 1441 C C . ASN 82 1003 ? B -2.278 0.660 -16.114 1.000 2 B 98.312 1 ATOM 1442 O O . ASN 82 1003 ? B -2.874 0.227 -17.102 1.000 2 B 98.312 1 ATOM 1443 C CB . ASN 82 1003 ? B -2.278 2.881 -17.279 1.000 2 B 98.312 1 ATOM 1444 C CG . ASN 82 1003 ? B -2.331 4.388 -17.120 1.000 2 B 98.312 1 ATOM 1445 O OD1 . ASN 82 1003 ? B -2.764 4.900 -16.084 1.000 2 B 98.312 1 ATOM 1446 N ND2 . ASN 82 1003 ? B -1.890 5.108 -18.144 1.000 2 B 98.312 1 ATOM 1447 N N . ASN 83 1004 ? B -1.737 -0.154 -15.250 1.000 2 B 97.854 1 ATOM 1448 C CA . ASN 83 1004 ? B -1.930 -1.600 -15.240 1.000 2 B 97.854 1 ATOM 1449 C C . ASN 83 1004 ? B -3.062 -2.007 -14.300 1.000 2 B 97.854 1 ATOM 1450 O O . ASN 83 1004 ? B -2.833 -2.244 -13.113 1.000 2 B 97.854 1 ATOM 1451 C CB . ASN 83 1004 ? B -0.634 -2.312 -14.850 1.000 2 B 97.854 1 ATOM 1452 C CG . ASN 83 1004 ? B -0.675 -3.800 -15.139 1.000 2 B 97.854 1 ATOM 1453 O OD1 . ASN 83 1004 ? B -1.748 -4.407 -15.180 1.000 2 B 97.854 1 ATOM 1454 N ND2 . ASN 83 1004 ? B 0.494 -4.397 -15.343 1.000 2 B 97.854 1 ATOM 1455 N N . VAL 84 1005 ? B -4.275 -2.095 -14.846 1.000 2 B 97.985 1 ATOM 1456 C CA . VAL 84 1005 ? B -5.478 -2.278 -14.041 1.000 2 B 97.985 1 ATOM 1457 C C . VAL 84 1005 ? B -5.490 -3.684 -13.444 1.000 2 B 97.985 1 ATOM 1458 O O . VAL 84 1005 ? B -5.956 -3.883 -12.319 1.000 2 B 97.985 1 ATOM 1459 C CB . VAL 84 1005 ? B -6.759 -2.041 -14.872 1.000 2 B 97.985 1 ATOM 1460 C CG1 . VAL 84 1005 ? B -6.874 -3.072 -15.993 1.000 2 B 97.985 1 ATOM 1461 C CG2 . VAL 84 1005 ? B -7.993 -2.085 -13.972 1.000 2 B 97.985 1 ATOM 1462 N N . GLN 85 1006 ? B -4.986 -4.623 -14.154 1.000 2 B 97.908 1 ATOM 1463 C CA . GLN 85 1006 ? B -4.948 -5.997 -13.665 1.000 2 B 97.908 1 ATOM 1464 C C . GLN 85 1006 ? B -4.109 -6.107 -12.395 1.000 2 B 97.908 1 ATOM 1465 O O . GLN 85 1006 ? B -4.525 -6.742 -11.424 1.000 2 B 97.908 1 ATOM 1466 C CB . GLN 85 1006 ? B -4.396 -6.935 -14.741 1.000 2 B 97.908 1 ATOM 1467 C CG . GLN 85 1006 ? B -5.324 -7.113 -15.936 1.000 2 B 97.908 1 ATOM 1468 C CD . GLN 85 1006 ? B -4.748 -8.037 -16.992 1.000 2 B 97.908 1 ATOM 1469 O OE1 . GLN 85 1006 ? B -3.562 -8.379 -16.958 1.000 2 B 97.908 1 ATOM 1470 N NE2 . GLN 85 1006 ? B -5.584 -8.448 -17.940 1.000 2 B 97.908 1 ATOM 1471 N N . VAL 86 1007 ? B -2.932 -5.521 -12.411 1.000 2 B 98.328 1 ATOM 1472 C CA . VAL 86 1007 ? B -2.052 -5.551 -11.248 1.000 2 B 98.328 1 ATOM 1473 C C . VAL 86 1007 ? B -2.666 -4.732 -10.114 1.000 2 B 98.328 1 ATOM 1474 O O . VAL 86 1007 ? B -2.587 -5.121 -8.946 1.000 2 B 98.328 1 ATOM 1475 C CB . VAL 86 1007 ? B -0.642 -5.017 -11.588 1.000 2 B 98.328 1 ATOM 1476 C CG1 . VAL 86 1007 ? B 0.201 -4.876 -10.322 1.000 2 B 98.328 1 ATOM 1477 C CG2 . VAL 86 1007 ? B 0.047 -5.937 -12.594 1.000 2 B 98.328 1 ATOM 1478 N N . CYS 87 1008 ? B -3.309 -3.636 -10.432 1.000 2 B 98.416 1 ATOM 1479 C CA . CYS 87 1008 ? B -3.995 -2.838 -9.422 1.000 2 B 98.416 1 ATOM 1480 C C . CYS 87 1008 ? B -5.065 -3.659 -8.713 1.000 2 B 98.416 1 ATOM 1481 O O . CYS 87 1008 ? B -5.153 -3.644 -7.484 1.000 2 B 98.416 1 ATOM 1482 C CB . CYS 87 1008 ? B -4.627 -1.599 -10.056 1.000 2 B 98.416 1 ATOM 1483 S SG . CYS 87 1008 ? B -3.429 -0.331 -10.526 1.000 2 B 98.416 1 ATOM 1484 N N . LYS 88 1009 ? B -5.843 -4.272 -9.488 1.000 2 B 98.310 1 ATOM 1485 C CA . LYS 88 1009 ? B -6.895 -5.113 -8.924 1.000 2 B 98.310 1 ATOM 1486 C C . LYS 88 1009 ? B -6.311 -6.182 -8.005 1.000 2 B 98.310 1 ATOM 1487 O O . LYS 88 1009 ? B -6.802 -6.388 -6.893 1.000 2 B 98.310 1 ATOM 1488 C CB . LYS 88 1009 ? B -7.712 -5.770 -10.038 1.000 2 B 98.310 1 ATOM 1489 C CG . LYS 88 1009 ? B -8.910 -6.566 -9.540 1.000 2 B 98.310 1 ATOM 1490 C CD . LYS 88 1009 ? B -9.742 -7.105 -10.697 1.000 2 B 98.310 1 ATOM 1491 C CE . LYS 88 1009 ? B -10.912 -7.944 -10.201 1.000 2 B 98.310 1 ATOM 1492 N NZ . LYS 88 1009 ? B -11.711 -8.504 -11.332 1.000 2 B 98.310 1 ATOM 1493 N N . PHE 89 1010 ? B -5.333 -6.826 -8.501 1.000 2 B 98.386 1 ATOM 1494 C CA . PHE 89 1010 ? B -4.683 -7.876 -7.725 1.000 2 B 98.386 1 ATOM 1495 C C . PHE 89 1010 ? B -4.126 -7.319 -6.420 1.000 2 B 98.386 1 ATOM 1496 O O . PHE 89 1010 ? B -4.305 -7.917 -5.357 1.000 2 B 98.386 1 ATOM 1497 C CB . PHE 89 1010 ? B -3.561 -8.530 -8.538 1.000 2 B 98.386 1 ATOM 1498 C CG . PHE 89 1010 ? B -2.739 -9.517 -7.753 1.000 2 B 98.386 1 ATOM 1499 C CD1 . PHE 89 1010 ? B -1.412 -9.246 -7.442 1.000 2 B 98.386 1 ATOM 1500 C CD2 . PHE 89 1010 ? B -3.294 -10.717 -7.327 1.000 2 B 98.386 1 ATOM 1501 C CE1 . PHE 89 1010 ? B -0.649 -10.158 -6.716 1.000 2 B 98.386 1 ATOM 1502 C CE2 . PHE 89 1010 ? B -2.538 -11.633 -6.601 1.000 2 B 98.386 1 ATOM 1503 C CZ . PHE 89 1010 ? B -1.216 -11.352 -6.298 1.000 2 B 98.386 1 ATOM 1504 N N . LEU 90 1011 ? B -3.488 -6.215 -6.430 1.000 2 B 98.549 1 ATOM 1505 C CA . LEU 90 1011 ? B -2.887 -5.626 -5.239 1.000 2 B 98.549 1 ATOM 1506 C C . LEU 90 1011 ? B -3.959 -5.226 -4.230 1.000 2 B 98.549 1 ATOM 1507 O O . LEU 90 1011 ? B -3.798 -5.444 -3.027 1.000 2 B 98.549 1 ATOM 1508 C CB . LEU 90 1011 ? B -2.041 -4.406 -5.612 1.000 2 B 98.549 1 ATOM 1509 C CG . LEU 90 1011 ? B -0.748 -4.687 -6.379 1.000 2 B 98.549 1 ATOM 1510 C CD1 . LEU 90 1011 ? B -0.075 -3.379 -6.781 1.000 2 B 98.549 1 ATOM 1511 C CD2 . LEU 90 1011 ? B 0.195 -5.545 -5.542 1.000 2 B 98.549 1 ATOM 1512 N N . VAL 91 1012 ? B -5.032 -4.625 -4.776 1.000 2 B 98.075 1 ATOM 1513 C CA . VAL 91 1012 ? B -6.135 -4.245 -3.900 1.000 2 B 98.075 1 ATOM 1514 C C . VAL 91 1012 ? B -6.694 -5.485 -3.206 1.000 2 B 98.075 1 ATOM 1515 O O . VAL 91 1012 ? B -6.914 -5.479 -1.992 1.000 2 B 98.075 1 ATOM 1516 C CB . VAL 91 1012 ? B -7.254 -3.519 -4.679 1.000 2 B 98.075 1 ATOM 1517 C CG1 . VAL 91 1012 ? B -8.513 -3.391 -3.822 1.000 2 B 98.075 1 ATOM 1518 C CG2 . VAL 91 1012 ? B -6.777 -2.144 -5.141 1.000 2 B 98.075 1 ATOM 1519 N N . GLU 92 1013 ? B -6.808 -6.518 -3.910 1.000 2 B 97.429 1 ATOM 1520 C CA . GLU 92 1013 ? B -7.360 -7.753 -3.362 1.000 2 B 97.429 1 ATOM 1521 C C . GLU 92 1013 ? B -6.370 -8.428 -2.416 1.000 2 B 97.429 1 ATOM 1522 O O . GLU 92 1013 ? B -6.741 -9.330 -1.662 1.000 2 B 97.429 1 ATOM 1523 C CB . GLU 92 1013 ? B -7.749 -8.714 -4.488 1.000 2 B 97.429 1 ATOM 1524 C CG . GLU 92 1013 ? B -8.965 -8.266 -5.286 1.000 2 B 97.429 1 ATOM 1525 C CD . GLU 92 1013 ? B -9.280 -9.177 -6.462 1.000 2 B 97.429 1 ATOM 1526 O OE1 . GLU 92 1013 ? B -10.338 -8.993 -7.106 1.000 2 B 97.429 1 ATOM 1527 O OE2 . GLU 92 1013 ? B -8.462 -10.081 -6.742 1.000 2 B 97.429 1 ATOM 1528 N N . SER 93 1014 ? B -5.167 -7.917 -2.509 1.000 2 B 97.745 1 ATOM 1529 C CA . SER 93 1014 ? B -4.130 -8.496 -1.660 1.000 2 B 97.745 1 ATOM 1530 C C . SER 93 1014 ? B -3.846 -7.608 -0.453 1.000 2 B 97.745 1 ATOM 1531 O O . SER 93 1014 ? B -2.821 -7.767 0.213 1.000 2 B 97.745 1 ATOM 1532 C CB . SER 93 1014 ? B -2.843 -8.714 -2.457 1.000 2 B 97.745 1 ATOM 1533 O OG . SER 93 1014 ? B -3.061 -9.618 -3.527 1.000 2 B 97.745 1 ATOM 1534 N N . GLY 94 1015 ? B -4.667 -6.649 -0.200 1.000 2 B 97.164 1 ATOM 1535 C CA . GLY 94 1015 ? B -4.576 -5.854 1.014 1.000 2 B 97.164 1 ATOM 1536 C C . GLY 94 1015 ? B -3.821 -4.553 0.819 1.000 2 B 97.164 1 ATOM 1537 O O . GLY 94 1015 ? B -3.113 -4.099 1.720 1.000 2 B 97.164 1 ATOM 1538 N N . ALA 95 1016 ? B -3.807 -3.985 -0.394 1.000 2 B 98.023 1 ATOM 1539 C CA . ALA 95 1016 ? B -3.166 -2.694 -0.630 1.000 2 B 98.023 1 ATOM 1540 C C . ALA 95 1016 ? B -3.993 -1.555 -0.040 1.000 2 B 98.023 1 ATOM 1541 O O . ALA 95 1016 ? B -5.225 -1.587 -0.083 1.000 2 B 98.023 1 ATOM 1542 C CB . ALA 95 1016 ? B -2.951 -2.472 -2.125 1.000 2 B 98.023 1 ATOM 1543 N N . ALA 96 1017 ? B -3.279 -0.586 0.573 1.000 2 B 97.589 1 ATOM 1544 C CA . ALA 96 1017 ? B -3.918 0.609 1.120 1.000 2 B 97.589 1 ATOM 1545 C C . ALA 96 1017 ? B -4.319 1.574 0.009 1.000 2 B 97.589 1 ATOM 1546 O O . ALA 96 1017 ? B -3.468 2.255 -0.568 1.000 2 B 97.589 1 ATOM 1547 C CB . ALA 96 1017 ? B -2.987 1.302 2.113 1.000 2 B 97.589 1 ATOM 1548 N N . VAL 97 1018 ? B -5.600 1.732 -0.189 1.000 2 B 97.274 1 ATOM 1549 C CA . VAL 97 1018 ? B -6.164 2.457 -1.323 1.000 2 B 97.274 1 ATOM 1550 C C . VAL 97 1018 ? B -6.016 3.960 -1.101 1.000 2 B 97.274 1 ATOM 1551 O O . VAL 97 1018 ? B -5.825 4.719 -2.054 1.000 2 B 97.274 1 ATOM 1552 C CB . VAL 97 1018 ? B -7.649 2.095 -1.547 1.000 2 B 97.274 1 ATOM 1553 C CG1 . VAL 97 1018 ? B -8.247 2.937 -2.673 1.000 2 B 97.274 1 ATOM 1554 C CG2 . VAL 97 1018 ? B -7.794 0.606 -1.855 1.000 2 B 97.274 1 ATOM 1555 N N . PHE 98 1019 ? B -5.998 4.411 0.166 1.000 2 B 96.942 1 ATOM 1556 C CA . PHE 98 1019 ? B -5.978 5.840 0.455 1.000 2 B 96.942 1 ATOM 1557 C C . PHE 98 1019 ? B -4.580 6.290 0.861 1.000 2 B 96.942 1 ATOM 1558 O O . PHE 98 1019 ? B -4.407 7.385 1.402 1.000 2 B 96.942 1 ATOM 1559 C CB . PHE 98 1019 ? B -6.981 6.181 1.561 1.000 2 B 96.942 1 ATOM 1560 C CG . PHE 98 1019 ? B -8.408 6.249 1.086 1.000 2 B 96.942 1 ATOM 1561 C CD1 . PHE 98 1019 ? B -8.848 7.318 0.316 1.000 2 B 96.942 1 ATOM 1562 C CD2 . PHE 98 1019 ? B -9.309 5.244 1.411 1.000 2 B 96.942 1 ATOM 1563 C CE1 . PHE 98 1019 ? B -10.168 7.385 -0.125 1.000 2 B 96.942 1 ATOM 1564 C CE2 . PHE 98 1019 ? B -10.629 5.303 0.974 1.000 2 B 96.942 1 ATOM 1565 C CZ . PHE 98 1019 ? B -11.057 6.374 0.207 1.000 2 B 96.942 1 ATOM 1566 N N . ALA 99 1020 ? B -3.583 5.379 0.645 1.000 2 B 95.760 1 ATOM 1567 C CA . ALA 99 1020 ? B -2.211 5.828 0.864 1.000 2 B 95.760 1 ATOM 1568 C C . ALA 99 1020 ? B -1.850 6.972 -0.079 1.000 2 B 95.760 1 ATOM 1569 O O . ALA 99 1020 ? B -2.237 6.965 -1.250 1.000 2 B 95.760 1 ATOM 1570 C CB . ALA 99 1020 ? B -1.236 4.666 0.684 1.000 2 B 95.760 1 ATOM 1571 N N . MET 100 1021 ? B -1.065 7.980 0.510 1.000 2 B 95.806 1 ATOM 1572 C CA . MET 100 1021 ? B -0.750 9.160 -0.290 1.000 2 B 95.806 1 ATOM 1573 C C . MET 100 1021 ? B 0.759 9.336 -0.427 1.000 2 B 95.806 1 ATOM 1574 O O . MET 100 1021 ? B 1.520 8.912 0.444 1.000 2 B 95.806 1 ATOM 1575 C CB . MET 100 1021 ? B -1.368 10.413 0.332 1.000 2 B 95.806 1 ATOM 1576 C CG . MET 100 1021 ? B -2.888 10.414 0.325 1.000 2 B 95.806 1 ATOM 1577 S SD . MET 100 1021 ? B -3.592 12.036 0.814 1.000 2 B 95.806 1 ATOM 1578 C CE . MET 100 1021 ? B -3.102 12.085 2.560 1.000 2 B 95.806 1 ATOM 1579 N N . THR 101 1022 ? B 1.134 9.871 -1.502 1.000 2 B 95.054 1 ATOM 1580 C CA . THR 101 1022 ? B 2.533 10.248 -1.671 1.000 2 B 95.054 1 ATOM 1581 C C . THR 101 1022 ? B 2.868 11.477 -0.832 1.000 2 B 95.054 1 ATOM 1582 O O . THR 101 1022 ? B 1.978 12.251 -0.472 1.000 2 B 95.054 1 ATOM 1583 C CB . THR 101 1022 ? B 2.861 10.528 -3.150 1.000 2 B 95.054 1 ATOM 1584 O OG1 . THR 101 1022 ? B 2.054 11.618 -3.614 1.000 2 B 95.054 1 ATOM 1585 C CG2 . THR 101 1022 ? B 2.585 9.303 -4.016 1.000 2 B 95.054 1 ATOM 1586 N N . TYR 102 1023 ? B 4.128 11.614 -0.460 1.000 2 B 93.859 1 ATOM 1587 C CA . TYR 102 1023 ? B 4.536 12.719 0.400 1.000 2 B 93.859 1 ATOM 1588 C C . TYR 102 1023 ? B 4.679 14.009 -0.400 1.000 2 B 93.859 1 ATOM 1589 O O . TYR 102 1023 ? B 4.365 15.093 0.098 1.000 2 B 93.859 1 ATOM 1590 C CB . TYR 102 1023 ? B 5.857 12.393 1.104 1.000 2 B 93.859 1 ATOM 1591 C CG . TYR 102 1023 ? B 5.784 11.179 1.999 1.000 2 B 93.859 1 ATOM 1592 C CD1 . TYR 102 1023 ? B 4.775 11.051 2.951 1.000 2 B 93.859 1 ATOM 1593 C CD2 . TYR 102 1023 ? B 6.723 10.159 1.894 1.000 2 B 93.859 1 ATOM 1594 C CE1 . TYR 102 1023 ? B 4.705 9.935 3.779 1.000 2 B 93.859 1 ATOM 1595 C CE2 . TYR 102 1023 ? B 6.663 9.038 2.716 1.000 2 B 93.859 1 ATOM 1596 C CZ . TYR 102 1023 ? B 5.652 8.935 3.653 1.000 2 B 93.859 1 ATOM 1597 O OH . TYR 102 1023 ? B 5.587 7.829 4.470 1.000 2 B 93.859 1 ATOM 1598 N N . SER 103 1024 ? B 5.014 13.861 -1.652 1.000 2 B 91.344 1 ATOM 1599 C CA . SER 103 1024 ? B 5.349 15.037 -2.448 1.000 2 B 91.344 1 ATOM 1600 C C . SER 103 1024 ? B 4.093 15.773 -2.903 1.000 2 B 91.344 1 ATOM 1601 O O . SER 103 1024 ? B 4.006 16.996 -2.783 1.000 2 B 91.344 1 ATOM 1602 C CB . SER 103 1024 ? B 6.186 14.641 -3.665 1.000 2 B 91.344 1 ATOM 1603 O OG . SER 103 1024 ? B 5.525 13.648 -4.429 1.000 2 B 91.344 1 ATOM 1604 N N . ASP 104 1025 ? B 3.062 14.991 -3.328 1.000 2 B 92.585 1 ATOM 1605 C CA . ASP 104 1025 ? B 1.910 15.636 -3.951 1.000 2 B 92.585 1 ATOM 1606 C C . ASP 104 1025 ? B 0.628 15.333 -3.179 1.000 2 B 92.585 1 ATOM 1607 O O . ASP 104 1025 ? B -0.446 15.826 -3.532 1.000 2 B 92.585 1 ATOM 1608 C CB . ASP 104 1025 ? B 1.767 15.187 -5.407 1.000 2 B 92.585 1 ATOM 1609 C CG . ASP 104 1025 ? B 2.982 15.522 -6.253 1.000 2 B 92.585 1 ATOM 1610 O OD1 . ASP 104 1025 ? B 3.491 16.660 -6.165 1.000 2 B 92.585 1 ATOM 1611 O OD2 . ASP 104 1025 ? B 3.432 14.641 -7.017 1.000 2 B 92.585 1 ATOM 1612 N N . MET 105 1026 ? B 0.750 14.492 -2.146 1.000 2 B 94.329 1 ATOM 1613 C CA . MET 105 1026 ? B -0.429 14.117 -1.370 1.000 2 B 94.329 1 ATOM 1614 C C . MET 105 1026 ? B -1.509 13.530 -2.273 1.000 2 B 94.329 1 ATOM 1615 O O . MET 105 1026 ? B -2.675 13.920 -2.187 1.000 2 B 94.329 1 ATOM 1616 C CB . MET 105 1026 ? B -0.981 15.325 -0.611 1.000 2 B 94.329 1 ATOM 1617 C CG . MET 105 1026 ? B 0.028 15.976 0.321 1.000 2 B 94.329 1 ATOM 1618 S SD . MET 105 1026 ? B 0.644 14.821 1.607 1.000 2 B 94.329 1 ATOM 1619 C CE . MET 105 1026 ? B 1.656 15.956 2.597 1.000 2 B 94.329 1 ATOM 1620 N N . GLN 106 1027 ? B -1.054 12.650 -3.134 1.000 2 B 96.250 1 ATOM 1621 C CA . GLN 106 1027 ? B -1.957 12.032 -4.099 1.000 2 B 96.250 1 ATOM 1622 C C . GLN 106 1027 ? B -2.111 10.538 -3.829 1.000 2 B 96.250 1 ATOM 1623 O O . GLN 106 1027 ? B -1.160 9.877 -3.407 1.000 2 B 96.250 1 ATOM 1624 C CB . GLN 106 1027 ? B -1.457 12.259 -5.526 1.000 2 B 96.250 1 ATOM 1625 C CG . GLN 106 1027 ? B -1.530 13.711 -5.980 1.000 2 B 96.250 1 ATOM 1626 C CD . GLN 106 1027 ? B -1.065 13.903 -7.411 1.000 2 B 96.250 1 ATOM 1627 O OE1 . GLN 106 1027 ? B -0.358 13.056 -7.967 1.000 2 B 96.250 1 ATOM 1628 N NE2 . GLN 106 1027 ? B -1.457 15.018 -8.018 1.000 2 B 96.250 1 ATOM 1629 N N . THR 107 1028 ? B -3.305 10.003 -4.027 1.000 2 B 97.505 1 ATOM 1630 C CA . THR 107 1028 ? B -3.556 8.568 -3.951 1.000 2 B 97.505 1 ATOM 1631 C C . THR 107 1028 ? B -3.122 7.874 -5.239 1.000 2 B 97.505 1 ATOM 1632 O O . THR 107 1028 ? B -2.722 8.534 -6.201 1.000 2 B 97.505 1 ATOM 1633 C CB . THR 107 1028 ? B -5.043 8.274 -3.682 1.000 2 B 97.505 1 ATOM 1634 O OG1 . THR 107 1028 ? B -5.819 8.692 -4.812 1.000 2 B 97.505 1 ATOM 1635 C CG2 . THR 107 1028 ? B -5.534 9.013 -2.441 1.000 2 B 97.505 1 ATOM 1636 N N . ALA 108 1029 ? B -3.219 6.605 -5.283 1.000 2 B 97.878 1 ATOM 1637 C CA . ALA 108 1029 ? B -2.879 5.830 -6.474 1.000 2 B 97.878 1 ATOM 1638 C C . ALA 108 1029 ? B -3.780 6.204 -7.647 1.000 2 B 97.878 1 ATOM 1639 O O . ALA 108 1029 ? B -3.319 6.299 -8.787 1.000 2 B 97.878 1 ATOM 1640 C CB . ALA 108 1029 ? B -2.981 4.335 -6.184 1.000 2 B 97.878 1 ATOM 1641 N N . ALA 109 1030 ? B -5.036 6.458 -7.334 1.000 2 B 97.869 1 ATOM 1642 C CA . ALA 109 1030 ? B -5.981 6.836 -8.382 1.000 2 B 97.869 1 ATOM 1643 C C . ALA 109 1030 ? B -5.544 8.123 -9.076 1.000 2 B 97.869 1 ATOM 1644 O O . ALA 109 1030 ? B -5.640 8.238 -10.300 1.000 2 B 97.869 1 ATOM 1645 C CB . ALA 109 1030 ? B -7.383 6.999 -7.800 1.000 2 B 97.869 1 ATOM 1646 N N . ASP 110 1031 ? B -4.927 9.064 -8.343 1.000 2 B 97.585 1 ATOM 1647 C CA . ASP 110 1031 ? B -4.477 10.353 -8.857 1.000 2 B 97.585 1 ATOM 1648 C C . ASP 110 1031 ? B -3.234 10.193 -9.730 1.000 2 B 97.585 1 ATOM 1649 O O . ASP 110 1031 ? B -2.951 11.043 -10.577 1.000 2 B 97.585 1 ATOM 1650 C CB . ASP 110 1031 ? B -4.190 11.320 -7.706 1.000 2 B 97.585 1 ATOM 1651 C CG . ASP 110 1031 ? B -5.423 11.643 -6.881 1.000 2 B 97.585 1 ATOM 1652 O OD1 . ASP 110 1031 ? B -6.507 11.862 -7.465 1.000 2 B 97.585 1 ATOM 1653 O OD2 . ASP 110 1031 ? B -5.310 11.681 -5.637 1.000 2 B 97.585 1 ATOM 1654 N N . LYS 111 1032 ? B -2.600 9.072 -9.538 1.000 2 B 96.912 1 ATOM 1655 C CA . LYS 111 1032 ? B -1.307 8.896 -10.194 1.000 2 B 96.912 1 ATOM 1656 C C . LYS 111 1032 ? B -1.467 8.220 -11.552 1.000 2 B 96.912 1 ATOM 1657 O O . LYS 111 1032 ? B -0.485 8.015 -12.269 1.000 2 B 96.912 1 ATOM 1658 C CB . LYS 111 1032 ? B -0.364 8.079 -9.310 1.000 2 B 96.912 1 ATOM 1659 C CG . LYS 111 1032 ? B 0.120 8.819 -8.071 1.000 2 B 96.912 1 ATOM 1660 C CD . LYS 111 1032 ? B 0.985 10.018 -8.438 1.000 2 B 96.912 1 ATOM 1661 C CE . LYS 111 1032 ? B 1.543 10.706 -7.200 1.000 2 B 96.912 1 ATOM 1662 N NZ . LYS 111 1032 ? B 2.320 11.932 -7.550 1.000 2 B 96.912 1 ATOM 1663 N N . CYS 112 1033 ? B -2.666 7.838 -11.874 1.000 2 B 97.379 1 ATOM 1664 C CA . CYS 112 1033 ? B -2.882 7.279 -13.204 1.000 2 B 97.379 1 ATOM 1665 C C . CYS 112 1033 ? B -2.521 8.289 -14.286 1.000 2 B 97.379 1 ATOM 1666 O O . CYS 112 1033 ? B -2.788 9.483 -14.140 1.000 2 B 97.379 1 ATOM 1667 C CB . CYS 112 1033 ? B -4.336 6.837 -13.370 1.000 2 B 97.379 1 ATOM 1668 S SG . CYS 112 1033 ? B -4.787 5.417 -12.348 1.000 2 B 97.379 1 ATOM 1669 N N . GLU 113 1034 ? B -1.810 7.858 -15.331 1.000 2 B 95.094 1 ATOM 1670 C CA . GLU 113 1034 ? B -1.321 8.727 -16.397 1.000 2 B 95.094 1 ATOM 1671 C C . GLU 113 1034 ? B -2.359 8.882 -17.504 1.000 2 B 95.094 1 ATOM 1672 O O . GLU 113 1034 ? B -2.595 7.950 -18.276 1.000 2 B 95.094 1 ATOM 1673 C CB . GLU 113 1034 ? B -0.012 8.184 -16.976 1.000 2 B 95.094 1 ATOM 1674 C CG . GLU 113 1034 ? B 1.145 8.185 -15.988 1.000 2 B 95.094 1 ATOM 1675 C CD . GLU 113 1034 ? B 1.594 9.582 -15.591 1.000 2 B 95.094 1 ATOM 1676 O OE1 . GLU 113 1034 ? B 2.177 9.744 -14.495 1.000 2 B 95.094 1 ATOM 1677 O OE2 . GLU 113 1034 ? B 1.361 10.523 -16.383 1.000 2 B 95.094 1 ATOM 1678 N N . GLU 114 1035 ? B -2.960 10.101 -17.685 1.000 2 B 95.126 1 ATOM 1679 C CA . GLU 114 1035 ? B -4.095 10.412 -18.549 1.000 2 B 95.126 1 ATOM 1680 C C . GLU 114 1035 ? B -3.737 10.223 -20.020 1.000 2 B 95.126 1 ATOM 1681 O O . GLU 114 1035 ? B -4.583 9.830 -20.825 1.000 2 B 95.126 1 ATOM 1682 C CB . GLU 114 1035 ? B -4.581 11.843 -18.305 1.000 2 B 95.126 1 ATOM 1683 C CG . GLU 114 1035 ? B -5.299 12.030 -16.977 1.000 2 B 95.126 1 ATOM 1684 C CD . GLU 114 1035 ? B -5.809 13.447 -16.765 1.000 2 B 95.126 1 ATOM 1685 O OE1 . GLU 114 1035 ? B -6.282 13.762 -15.650 1.000 2 B 95.126 1 ATOM 1686 O OE2 . GLU 114 1035 ? B -5.735 14.249 -17.723 1.000 2 B 95.126 1 ATOM 1687 N N . MET 115 1036 ? B -2.487 10.341 -20.379 1.000 2 B 94.842 1 ATOM 1688 C CA . MET 115 1036 ? B -2.092 10.326 -21.785 1.000 2 B 94.842 1 ATOM 1689 C C . MET 115 1036 ? B -1.575 8.949 -22.189 1.000 2 B 94.842 1 ATOM 1690 O O . MET 115 1036 ? B -1.098 8.766 -23.311 1.000 2 B 94.842 1 ATOM 1691 C CB . MET 115 1036 ? B -1.024 11.386 -22.056 1.000 2 B 94.842 1 ATOM 1692 C CG . MET 115 1036 ? B -1.464 12.801 -21.717 1.000 2 B 94.842 1 ATOM 1693 S SD . MET 115 1036 ? B -2.870 13.367 -22.752 1.000 2 B 94.842 1 ATOM 1694 C CE . MET 115 1036 ? B -2.007 13.687 -24.315 1.000 2 B 94.842 1 ATOM 1695 N N . GLU 116 1037 ? B -1.691 7.984 -21.335 1.000 2 B 94.218 1 ATOM 1696 C CA . GLU 116 1037 ? B -1.195 6.642 -21.624 1.000 2 B 94.218 1 ATOM 1697 C C . GLU 116 1037 ? B -2.341 5.637 -21.708 1.000 2 B 94.218 1 ATOM 1698 O O . GLU 116 1037 ? B -3.450 5.912 -21.247 1.000 2 B 94.218 1 ATOM 1699 C CB . GLU 116 1037 ? B -0.185 6.201 -20.562 1.000 2 B 94.218 1 ATOM 1700 C CG . GLU 116 1037 ? B 1.045 7.093 -20.475 1.000 2 B 94.218 1 ATOM 1701 C CD . GLU 116 1037 ? B 2.007 6.905 -21.637 1.000 2 B 94.218 1 ATOM 1702 O OE1 . GLU 116 1037 ? B 2.934 7.730 -21.797 1.000 2 B 94.218 1 ATOM 1703 O OE2 . GLU 116 1037 ? B 1.831 5.924 -22.395 1.000 2 B 94.218 1 ATOM 1704 N N . GLU 117 1038 ? B -2.093 4.570 -22.439 1.000 2 B 95.241 1 ATOM 1705 C CA . GLU 117 1038 ? B -3.079 3.510 -22.625 1.000 2 B 95.241 1 ATOM 1706 C C . GLU 117 1038 ? B -3.503 2.909 -21.288 1.000 2 B 95.241 1 ATOM 1707 O O . GLU 117 1038 ? B -2.660 2.628 -20.433 1.000 2 B 95.241 1 ATOM 1708 C CB . GLU 117 1038 ? B -2.527 2.416 -23.542 1.000 2 B 95.241 1 ATOM 1709 C CG . GLU 117 1038 ? B -3.551 1.358 -23.924 1.000 2 B 95.241 1 ATOM 1710 C CD . GLU 117 1038 ? B -2.995 0.291 -24.853 1.000 2 B 95.241 1 ATOM 1711 O OE1 . GLU 117 1038 ? B -3.744 -0.640 -25.227 1.000 2 B 95.241 1 ATOM 1712 O OE2 . GLU 117 1038 ? B -1.799 0.386 -25.209 1.000 2 B 95.241 1 ATOM 1713 N N . GLY 118 1039 ? B -4.804 2.723 -21.199 1.000 2 B 96.006 1 ATOM 1714 C CA . GLY 118 1039 ? B -5.316 2.031 -20.027 1.000 2 B 96.006 1 ATOM 1715 C C . GLY 118 1039 ? B -5.722 2.972 -18.908 1.000 2 B 96.006 1 ATOM 1716 O O . GLY 118 1039 ? B -6.202 2.531 -17.862 1.000 2 B 96.006 1 ATOM 1717 N N . TYR 119 1040 ? B -5.582 4.255 -19.053 1.000 2 B 97.737 1 ATOM 1718 C CA . TYR 119 1040 ? B -5.868 5.259 -18.035 1.000 2 B 97.737 1 ATOM 1719 C C . TYR 119 1040 ? B -7.314 5.161 -17.563 1.000 2 B 97.737 1 ATOM 1720 O O . TYR 119 1040 ? B -7.578 5.085 -16.361 1.000 2 B 97.737 1 ATOM 1721 C CB . TYR 119 1040 ? B -5.589 6.665 -18.573 1.000 2 B 97.737 1 ATOM 1722 C CG . TYR 119 1040 ? B -6.145 7.769 -17.705 1.000 2 B 97.737 1 ATOM 1723 C CD1 . TYR 119 1040 ? B -7.255 8.507 -18.109 1.000 2 B 97.737 1 ATOM 1724 C CD2 . TYR 119 1040 ? B -5.561 8.076 -16.481 1.000 2 B 97.737 1 ATOM 1725 C CE1 . TYR 119 1040 ? B -7.770 9.525 -17.314 1.000 2 B 97.737 1 ATOM 1726 C CE2 . TYR 119 1040 ? B -6.067 9.092 -15.677 1.000 2 B 97.737 1 ATOM 1727 C CZ . TYR 119 1040 ? B -7.171 9.810 -16.102 1.000 2 B 97.737 1 ATOM 1728 O OH . TYR 119 1040 ? B -7.676 10.817 -15.311 1.000 2 B 97.737 1 ATOM 1729 N N . THR 120 1041 ? B -8.221 5.201 -18.564 1.000 2 B 97.418 1 ATOM 1730 C CA . THR 120 1041 ? B -9.640 5.253 -18.231 1.000 2 B 97.418 1 ATOM 1731 C C . THR 120 1041 ? B -10.037 4.063 -17.363 1.000 2 B 97.418 1 ATOM 1732 O O . THR 120 1041 ? B -10.653 4.234 -16.309 1.000 2 B 97.418 1 ATOM 1733 C CB . THR 120 1041 ? B -10.511 5.278 -19.501 1.000 2 B 97.418 1 ATOM 1734 O OG1 . THR 120 1041 ? B -10.173 6.431 -20.282 1.000 2 B 97.418 1 ATOM 1735 C CG2 . THR 120 1041 ? B -11.994 5.332 -19.151 1.000 2 B 97.418 1 ATOM 1736 N N . GLN 121 1042 ? B -9.645 2.838 -17.756 1.000 2 B 97.914 1 ATOM 1737 C CA . GLN 121 1042 ? B -10.010 1.630 -17.023 1.000 2 B 97.914 1 ATOM 1738 C C . GLN 121 1042 ? B -9.380 1.618 -15.633 1.000 2 B 97.914 1 ATOM 1739 O O . GLN 121 1042 ? B -10.045 1.292 -14.648 1.000 2 B 97.914 1 ATOM 1740 C CB . GLN 121 1042 ? B -9.588 0.382 -17.801 1.000 2 B 97.914 1 ATOM 1741 C CG . GLN 121 1042 ? B -10.336 0.193 -19.113 1.000 2 B 97.914 1 ATOM 1742 C CD . GLN 121 1042 ? B -9.785 -0.950 -19.944 1.000 2 B 97.914 1 ATOM 1743 O OE1 . GLN 121 1042 ? B -8.709 -1.483 -19.654 1.000 2 B 97.914 1 ATOM 1744 N NE2 . GLN 121 1042 ? B -10.517 -1.334 -20.985 1.000 2 B 97.914 1 ATOM 1745 N N . CYS 122 1043 ? B -8.169 1.962 -15.562 1.000 2 B 98.149 1 ATOM 1746 C CA . CYS 122 1043 ? B -7.434 1.921 -14.303 1.000 2 B 98.149 1 ATOM 1747 C C . CYS 122 1043 ? B -7.948 2.983 -13.337 1.000 2 B 98.149 1 ATOM 1748 O O . CYS 122 1043 ? B -8.255 2.681 -12.182 1.000 2 B 98.149 1 ATOM 1749 C CB . CYS 122 1043 ? B -5.939 2.122 -14.548 1.000 2 B 98.149 1 ATOM 1750 S SG . CYS 122 1043 ? B -4.923 1.903 -13.071 1.000 2 B 98.149 1 ATOM 1751 N N . SER 123 1044 ? B -8.033 4.223 -13.771 1.000 2 B 97.945 1 ATOM 1752 C CA . SER 123 1044 ? B -8.488 5.310 -12.910 1.000 2 B 97.945 1 ATOM 1753 C C . SER 123 1044 ? B -9.919 5.079 -12.438 1.000 2 B 97.945 1 ATOM 1754 O O . SER 123 1044 ? B -10.237 5.307 -11.268 1.000 2 B 97.945 1 ATOM 1755 C CB . SER 123 1044 ? B -8.394 6.650 -13.643 1.000 2 B 97.945 1 ATOM 1756 O OG . SER 123 1044 ? B -9.204 6.645 -14.806 1.000 2 B 97.945 1 ATOM 1757 N N . GLN 124 1045 ? B -10.799 4.695 -13.331 1.000 2 B 98.137 1 ATOM 1758 C CA . GLN 124 1045 ? B -12.182 4.422 -12.956 1.000 2 B 98.137 1 ATOM 1759 C C . GLN 124 1045 ? B -12.259 3.333 -11.889 1.000 2 B 98.137 1 ATOM 1760 O O . GLN 124 1045 ? B -13.045 3.435 -10.945 1.000 2 B 98.137 1 ATOM 1761 C CB . GLN 124 1045 ? B -13.002 4.014 -14.182 1.000 2 B 98.137 1 ATOM 1762 C CG . GLN 124 1045 ? B -13.333 5.173 -15.112 1.000 2 B 98.137 1 ATOM 1763 C CD . GLN 124 1045 ? B -14.098 4.734 -16.347 1.000 2 B 98.137 1 ATOM 1764 O OE1 . GLN 124 1045 ? B -14.226 3.536 -16.620 1.000 2 B 98.137 1 ATOM 1765 N NE2 . GLN 124 1045 ? B -14.611 5.699 -17.102 1.000 2 B 98.137 1 ATOM 1766 N N . PHE 125 1046 ? B -11.516 2.332 -12.105 1.000 2 B 98.363 1 ATOM 1767 C CA . PHE 125 1046 ? B -11.484 1.255 -11.123 1.000 2 B 98.363 1 ATOM 1768 C C . PHE 125 1046 ? B -11.067 1.781 -9.755 1.000 2 B 98.363 1 ATOM 1769 O O . PHE 125 1046 ? B -11.750 1.542 -8.757 1.000 2 B 98.363 1 ATOM 1770 C CB . PHE 125 1046 ? B -10.528 0.145 -11.572 1.000 2 B 98.363 1 ATOM 1771 C CG . PHE 125 1046 ? B -10.205 -0.852 -10.492 1.000 2 B 98.363 1 ATOM 1772 C CD1 . PHE 125 1046 ? B -8.952 -0.867 -9.892 1.000 2 B 98.363 1 ATOM 1773 C CD2 . PHE 125 1046 ? B -11.156 -1.776 -10.077 1.000 2 B 98.363 1 ATOM 1774 C CE1 . PHE 125 1046 ? B -8.651 -1.789 -8.892 1.000 2 B 98.363 1 ATOM 1775 C CE2 . PHE 125 1046 ? B -10.863 -2.700 -9.079 1.000 2 B 98.363 1 ATOM 1776 C CZ . PHE 125 1046 ? B -9.609 -2.706 -8.489 1.000 2 B 98.363 1 ATOM 1777 N N . LEU 126 1047 ? B -9.975 2.432 -9.658 1.000 2 B 98.439 1 ATOM 1778 C CA . LEU 126 1047 ? B -9.425 2.877 -8.382 1.000 2 B 98.439 1 ATOM 1779 C C . LEU 126 1047 ? B -10.333 3.915 -7.731 1.000 2 B 98.439 1 ATOM 1780 O O . LEU 126 1047 ? B -10.583 3.858 -6.524 1.000 2 B 98.439 1 ATOM 1781 C CB . LEU 126 1047 ? B -8.023 3.459 -8.576 1.000 2 B 98.439 1 ATOM 1782 C CG . LEU 126 1047 ? B -6.910 2.457 -8.886 1.000 2 B 98.439 1 ATOM 1783 C CD1 . LEU 126 1047 ? B -5.621 3.190 -9.245 1.000 2 B 98.439 1 ATOM 1784 C CD2 . LEU 126 1047 ? B -6.687 1.521 -7.703 1.000 2 B 98.439 1 ATOM 1785 N N . TYR 127 1048 ? B -10.803 4.912 -8.540 1.000 2 B 98.218 1 ATOM 1786 C CA . TYR 127 1048 ? B -11.757 5.863 -7.982 1.000 2 B 98.218 1 ATOM 1787 C C . TYR 127 1048 ? B -13.028 5.157 -7.526 1.000 2 B 98.218 1 ATOM 1788 O O . TYR 127 1048 ? B -13.631 5.540 -6.520 1.000 2 B 98.218 1 ATOM 1789 C CB . TYR 127 1048 ? B -12.101 6.945 -9.010 1.000 2 B 98.218 1 ATOM 1790 C CG . TYR 127 1048 ? B -11.065 8.038 -9.112 1.000 2 B 98.218 1 ATOM 1791 C CD1 . TYR 127 1048 ? B -10.654 8.743 -7.983 1.000 2 B 98.218 1 ATOM 1792 C CD2 . TYR 127 1048 ? B -10.494 8.368 -10.337 1.000 2 B 98.218 1 ATOM 1793 C CE1 . TYR 127 1048 ? B -9.701 9.752 -8.072 1.000 2 B 98.218 1 ATOM 1794 C CE2 . TYR 127 1048 ? B -9.540 9.375 -10.437 1.000 2 B 98.218 1 ATOM 1795 C CZ . TYR 127 1048 ? B -9.150 10.060 -9.301 1.000 2 B 98.218 1 ATOM 1796 O OH . TYR 127 1048 ? B -8.206 11.058 -9.395 1.000 2 B 98.218 1 ATOM 1797 N N . GLY 128 1049 ? B -13.401 4.201 -8.313 1.000 2 B 97.624 1 ATOM 1798 C CA . GLY 128 1049 ? B -14.555 3.408 -7.922 1.000 2 B 97.624 1 ATOM 1799 C C . GLY 128 1049 ? B -14.370 2.701 -6.592 1.000 2 B 97.624 1 ATOM 1800 O O . GLY 128 1049 ? B -15.269 2.710 -5.748 1.000 2 B 97.624 1 ATOM 1801 N N . VAL 129 1050 ? B -13.219 2.053 -6.421 1.000 2 B 96.862 1 ATOM 1802 C CA . VAL 129 1050 ? B -12.914 1.374 -5.165 1.000 2 B 96.862 1 ATOM 1803 C C . VAL 129 1050 ? B -12.913 2.383 -4.019 1.000 2 B 96.862 1 ATOM 1804 O O . VAL 129 1050 ? B -13.465 2.117 -2.949 1.000 2 B 96.862 1 ATOM 1805 C CB . VAL 129 1050 ? B -11.556 0.641 -5.232 1.000 2 B 96.862 1 ATOM 1806 C CG1 . VAL 129 1050 ? B -11.160 0.113 -3.854 1.000 2 B 96.862 1 ATOM 1807 C CG2 . VAL 129 1050 ? B -11.614 -0.498 -6.248 1.000 2 B 96.862 1 ATOM 1808 N N . GLN 130 1051 ? B -12.342 3.557 -4.180 1.000 2 B 96.097 1 ATOM 1809 C CA . GLN 130 1051 ? B -12.301 4.596 -3.156 1.000 2 B 96.097 1 ATOM 1810 C C . GLN 130 1051 ? B -13.708 5.035 -2.761 1.000 2 B 96.097 1 ATOM 1811 O O . GLN 130 1051 ? B -14.000 5.209 -1.576 1.000 2 B 96.097 1 ATOM 1812 C CB . GLN 130 1051 ? B -11.493 5.799 -3.644 1.000 2 B 96.097 1 ATOM 1813 C CG . GLN 130 1051 ? B -9.999 5.530 -3.761 1.000 2 B 96.097 1 ATOM 1814 C CD . GLN 130 1051 ? B -9.221 6.738 -4.249 1.000 2 B 96.097 1 ATOM 1815 O OE1 . GLN 130 1051 ? B -9.806 7.752 -4.642 1.000 2 B 96.097 1 ATOM 1816 N NE2 . GLN 130 1051 ? B -7.896 6.639 -4.227 1.000 2 B 96.097 1 ATOM 1817 N N . GLU 131 1052 ? B -14.544 5.168 -3.734 1.000 2 B 94.920 1 ATOM 1818 C CA . GLU 131 1052 ? B -15.911 5.636 -3.520 1.000 2 B 94.920 1 ATOM 1819 C C . GLU 131 1052 ? B -16.745 4.586 -2.791 1.000 2 B 94.920 1 ATOM 1820 O O . GLU 131 1052 ? B -17.548 4.920 -1.917 1.000 2 B 94.920 1 ATOM 1821 C CB . GLU 131 1052 ? B -16.570 5.999 -4.852 1.000 2 B 94.920 1 ATOM 1822 C CG . GLU 131 1052 ? B -17.968 6.583 -4.707 1.000 2 B 94.920 1 ATOM 1823 C CD . GLU 131 1052 ? B -18.564 7.049 -6.027 1.000 2 B 94.920 1 ATOM 1824 O OE1 . GLU 131 1052 ? B -19.693 7.589 -6.026 1.000 2 B 94.920 1 ATOM 1825 O OE2 . GLU 131 1052 ? B -17.896 6.871 -7.070 1.000 2 B 94.920 1 ATOM 1826 N N . LYS 132 1053 ? B -16.454 3.320 -3.083 1.000 2 B 94.427 1 ATOM 1827 C CA . LYS 132 1053 ? B -17.311 2.247 -2.587 1.000 2 B 94.427 1 ATOM 1828 C C . LYS 132 1053 ? B -16.761 1.660 -1.290 1.000 2 B 94.427 1 ATOM 1829 O O . LYS 132 1053 ? B -17.475 0.964 -0.566 1.000 2 B 94.427 1 ATOM 1830 C CB . LYS 132 1053 ? B -17.457 1.146 -3.639 1.000 2 B 94.427 1 ATOM 1831 C CG . LYS 132 1053 ? B -18.255 1.564 -4.865 1.000 2 B 94.427 1 ATOM 1832 C CD . LYS 132 1053 ? B -18.422 0.409 -5.844 1.000 2 B 94.427 1 ATOM 1833 C CE . LYS 132 1053 ? B -19.246 0.818 -7.057 1.000 2 B 94.427 1 ATOM 1834 N NZ . LYS 132 1053 ? B -19.378 -0.299 -8.039 1.000 2 B 94.427 1 ATOM 1835 N N . MET 133 1054 ? B -15.460 1.945 -1.024 1.000 2 B 93.822 1 ATOM 1836 C CA . MET 133 1054 ? B -14.849 1.432 0.199 1.000 2 B 93.822 1 ATOM 1837 C C . MET 133 1054 ? B -15.576 1.958 1.432 1.000 2 B 93.822 1 ATOM 1838 O O . MET 133 1054 ? B -15.754 3.168 1.583 1.000 2 B 93.822 1 ATOM 1839 C CB . MET 133 1054 ? B -13.369 1.811 0.262 1.000 2 B 93.822 1 ATOM 1840 C CG . MET 133 1054 ? B -12.595 1.081 1.347 1.000 2 B 93.822 1 ATOM 1841 S SD . MET 133 1054 ? B -10.797 1.445 1.294 1.000 2 B 93.822 1 ATOM 1842 C CE . MET 133 1054 ? B -10.249 0.571 2.787 1.000 2 B 93.822 1 ATOM 1843 N N . GLY 134 1055 ? B -15.983 1.100 2.303 1.000 2 B 90.855 1 ATOM 1844 C CA . GLY 134 1055 ? B -16.762 1.463 3.476 1.000 2 B 90.855 1 ATOM 1845 C C . GLY 134 1055 ? B -18.255 1.278 3.282 1.000 2 B 90.855 1 ATOM 1846 O O . GLY 134 1055 ? B -19.036 1.467 4.218 1.000 2 B 90.855 1 ATOM 1847 N N . ILE 135 1056 ? B -18.664 0.970 2.073 1.000 2 B 92.864 1 ATOM 1848 C CA . ILE 135 1056 ? B -20.056 0.725 1.712 1.000 2 B 92.864 1 ATOM 1849 C C . ILE 135 1056 ? B -20.212 -0.705 1.199 1.000 2 B 92.864 1 ATOM 1850 O O . ILE 135 1056 ? B -21.182 -1.389 1.535 1.000 2 B 92.864 1 ATOM 1851 C CB . ILE 135 1056 ? B -20.550 1.732 0.649 1.000 2 B 92.864 1 ATOM 1852 C CG1 . ILE 135 1056 ? B -20.381 3.169 1.156 1.000 2 B 92.864 1 ATOM 1853 C CG2 . ILE 135 1056 ? B -22.008 1.451 0.275 1.000 2 B 92.864 1 ATOM 1854 C CD1 . ILE 135 1056 ? B -20.539 4.229 0.075 1.000 2 B 92.864 1 ATOM 1855 N N . MET 136 1057 ? B -19.236 -1.058 0.443 1.000 2 B 89.152 1 ATOM 1856 C CA . MET 136 1057 ? B -19.263 -2.382 -0.172 1.000 2 B 89.152 1 ATOM 1857 C C . MET 136 1057 ? B -19.059 -3.473 0.874 1.000 2 B 89.152 1 ATOM 1858 O O . MET 136 1057 ? B -18.502 -3.217 1.943 1.000 2 B 89.152 1 ATOM 1859 C CB . MET 136 1057 ? B -18.191 -2.493 -1.258 1.000 2 B 89.152 1 ATOM 1860 C CG . MET 136 1057 ? B -18.271 -3.776 -2.070 1.000 2 B 89.152 1 ATOM 1861 S SD . MET 136 1057 ? B -17.120 -3.776 -3.499 1.000 2 B 89.152 1 ATOM 1862 C CE . MET 136 1057 ? B -15.533 -3.637 -2.632 1.000 2 B 89.152 1 ATOM 1863 N N . ASN 137 1058 ? B -19.599 -4.572 0.697 1.000 2 B 89.362 1 ATOM 1864 C CA . ASN 137 1058 ? B -19.446 -5.721 1.584 1.000 2 B 89.362 1 ATOM 1865 C C . ASN 137 1058 ? B -19.979 -5.423 2.983 1.000 2 B 89.362 1 ATOM 1866 O O . ASN 137 1058 ? B -19.320 -5.725 3.980 1.000 2 B 89.362 1 ATOM 1867 C CB . ASN 137 1058 ? B -17.980 -6.153 1.655 1.000 2 B 89.362 1 ATOM 1868 C CG . ASN 137 1058 ? B -17.440 -6.606 0.313 1.000 2 B 89.362 1 ATOM 1869 O OD1 . ASN 137 1058 ? B -18.142 -7.257 -0.466 1.000 2 B 89.362 1 ATOM 1870 N ND2 . ASN 137 1058 ? B -16.188 -6.265 0.032 1.000 2 B 89.362 1 ATOM 1871 N N . LYS 138 1059 ? B -21.133 -4.717 2.960 1.000 2 B 90.877 1 ATOM 1872 C CA . LYS 138 1059 ? B -21.791 -4.331 4.205 1.000 2 B 90.877 1 ATOM 1873 C C . LYS 138 1059 ? B -20.894 -3.424 5.043 1.000 2 B 90.877 1 ATOM 1874 O O . LYS 138 1059 ? B -20.928 -3.476 6.274 1.000 2 B 90.877 1 ATOM 1875 C CB . LYS 138 1059 ? B -22.184 -5.570 5.011 1.000 2 B 90.877 1 ATOM 1876 C CG . LYS 138 1059 ? B -23.195 -6.467 4.313 1.000 2 B 90.877 1 ATOM 1877 C CD . LYS 138 1059 ? B -23.541 -7.685 5.162 1.000 2 B 90.877 1 ATOM 1878 C CE . LYS 138 1059 ? B -24.478 -8.632 4.425 1.000 2 B 90.877 1 ATOM 1879 N NZ . LYS 138 1059 ? B -24.794 -9.843 5.240 1.000 2 B 90.877 1 ATOM 1880 N N . GLY 139 1060 ? B -19.937 -2.808 4.372 1.000 2 B 92.085 1 ATOM 1881 C CA . GLY 139 1060 ? B -19.098 -1.826 5.040 1.000 2 B 92.085 1 ATOM 1882 C C . GLY 139 1060 ? B -17.893 -2.441 5.728 1.000 2 B 92.085 1 ATOM 1883 O O . GLY 139 1060 ? B -17.219 -1.779 6.520 1.000 2 B 92.085 1 ATOM 1884 N N . VAL 140 1061 ? B -17.675 -3.732 5.457 1.000 2 B 96.191 1 ATOM 1885 C CA . VAL 140 1061 ? B -16.580 -4.443 6.109 1.000 2 B 96.191 1 ATOM 1886 C C . VAL 140 1061 ? B -15.248 -4.011 5.500 1.000 2 B 96.191 1 ATOM 1887 O O . VAL 140 1061 ? B -15.090 -4.008 4.276 1.000 2 B 96.191 1 ATOM 1888 C CB . VAL 140 1061 ? B -16.748 -5.974 5.992 1.000 2 B 96.191 1 ATOM 1889 C CG1 . VAL 140 1061 ? B -15.534 -6.697 6.573 1.000 2 B 96.191 1 ATOM 1890 C CG2 . VAL 140 1061 ? B -18.028 -6.425 6.695 1.000 2 B 96.191 1 ATOM 1891 N N . ILE 141 1062 ? B -14.247 -3.728 6.384 1.000 2 B 97.003 1 ATOM 1892 C CA . ILE 141 1062 ? B -12.907 -3.332 5.963 1.000 2 B 97.003 1 ATOM 1893 C C . ILE 141 1062 ? B -11.872 -3.919 6.920 1.000 2 B 97.003 1 ATOM 1894 O O . ILE 141 1062 ? B -12.223 -4.435 7.984 1.000 2 B 97.003 1 ATOM 1895 C CB . ILE 141 1062 ? B -12.766 -1.795 5.898 1.000 2 B 97.003 1 ATOM 1896 C CG1 . ILE 141 1062 ? B -13.105 -1.169 7.255 1.000 2 B 97.003 1 ATOM 1897 C CG2 . ILE 141 1062 ? B -13.654 -1.218 4.791 1.000 2 B 97.003 1 ATOM 1898 C CD1 . ILE 141 1062 ? B -12.420 0.166 7.510 1.000 2 B 97.003 1 ATOM 1899 N N . TYR 142 1063 ? B -10.615 -3.829 6.510 1.000 2 B 97.549 1 ATOM 1900 C CA . TYR 142 1063 ? B -9.575 -4.460 7.315 1.000 2 B 97.549 1 ATOM 1901 C C . TYR 142 1063 ? B -8.486 -3.459 7.682 1.000 2 B 97.549 1 ATOM 1902 O O . TYR 142 1063 ? B -8.136 -2.591 6.879 1.000 2 B 97.549 1 ATOM 1903 C CB . TYR 142 1063 ? B -8.962 -5.647 6.566 1.000 2 B 97.549 1 ATOM 1904 C CG . TYR 142 1063 ? B -9.946 -6.754 6.273 1.000 2 B 97.549 1 ATOM 1905 C CD1 . TYR 142 1063 ? B -10.052 -7.859 7.114 1.000 2 B 97.549 1 ATOM 1906 C CD2 . TYR 142 1063 ? B -10.770 -6.697 5.154 1.000 2 B 97.549 1 ATOM 1907 C CE1 . TYR 142 1063 ? B -10.956 -8.882 6.846 1.000 2 B 97.549 1 ATOM 1908 C CE2 . TYR 142 1063 ? B -11.677 -7.714 4.877 1.000 2 B 97.549 1 ATOM 1909 C CZ . TYR 142 1063 ? B -11.763 -8.800 5.727 1.000 2 B 97.549 1 ATOM 1910 O OH . TYR 142 1063 ? B -12.659 -9.810 5.458 1.000 2 B 97.549 1 ATOM 1911 N N . ALA 143 1064 ? B -7.995 -3.619 8.878 1.000 2 B 97.439 1 ATOM 1912 C CA . ALA 143 1064 ? B -6.837 -2.839 9.308 1.000 2 B 97.439 1 ATOM 1913 C C . ALA 143 1064 ? B -5.550 -3.389 8.699 1.000 2 B 97.439 1 ATOM 1914 O O . ALA 143 1064 ? B -5.254 -4.579 8.826 1.000 2 B 97.439 1 ATOM 1915 C CB . ALA 143 1064 ? B -6.739 -2.828 10.832 1.000 2 B 97.439 1 ATOM 1916 N N . LEU 144 1065 ? B -4.788 -2.509 8.048 1.000 2 B 97.160 1 ATOM 1917 C CA . LEU 144 1065 ? B -3.571 -2.940 7.366 1.000 2 B 97.160 1 ATOM 1918 C C . LEU 144 1065 ? B -2.343 -2.684 8.233 1.000 2 B 97.160 1 ATOM 1919 O O . LEU 144 1065 ? B -1.252 -3.173 7.932 1.000 2 B 97.160 1 ATOM 1920 C CB . LEU 144 1065 ? B -3.423 -2.217 6.025 1.000 2 B 97.160 1 ATOM 1921 C CG . LEU 144 1065 ? B -4.530 -2.461 4.998 1.000 2 B 97.160 1 ATOM 1922 C CD1 . LEU 144 1065 ? B -4.292 -1.614 3.752 1.000 2 B 97.160 1 ATOM 1923 C CD2 . LEU 144 1065 ? B -4.609 -3.941 4.638 1.000 2 B 97.160 1 ATOM 1924 N N . TRP 145 1066 ? B -2.508 -1.833 9.282 1.000 2 B 96.444 1 ATOM 1925 C CA . TRP 145 1066 ? B -1.466 -1.521 10.256 1.000 2 B 96.444 1 ATOM 1926 C C . TRP 145 1066 ? B -2.029 -1.518 11.673 1.000 2 B 96.444 1 ATOM 1927 O O . TRP 145 1066 ? B -3.239 -1.383 11.867 1.000 2 B 96.444 1 ATOM 1928 C CB . TRP 145 1066 ? B -0.827 -0.166 9.944 1.000 2 B 96.444 1 ATOM 1929 C CG . TRP 145 1066 ? B 0.033 -0.166 8.715 1.000 2 B 96.444 1 ATOM 1930 C CD1 . TRP 145 1066 ? B 1.371 -0.437 8.645 1.000 2 B 96.444 1 ATOM 1931 C CD2 . TRP 145 1066 ? B -0.388 0.124 7.379 1.000 2 B 96.444 1 ATOM 1932 N NE1 . TRP 145 1066 ? B 1.808 -0.334 7.345 1.000 2 B 96.444 1 ATOM 1933 C CE2 . TRP 145 1066 ? B 0.749 0.009 6.548 1.000 2 B 96.444 1 ATOM 1934 C CE3 . TRP 145 1066 ? B -1.618 0.470 6.802 1.000 2 B 96.444 1 ATOM 1935 C CZ2 . TRP 145 1066 ? B 0.692 0.228 5.170 1.000 2 B 96.444 1 ATOM 1936 C CZ3 . TRP 145 1066 ? B -1.672 0.687 5.430 1.000 2 B 96.444 1 ATOM 1937 C CH2 . TRP 145 1066 ? B -0.523 0.565 4.631 1.000 2 B 96.444 1 ATOM 1938 N N . ASP 146 1067 ? B -1.130 -1.723 12.615 1.000 2 B 96.758 1 ATOM 1939 C CA . ASP 146 1067 ? B -1.487 -1.437 14.001 1.000 2 B 96.758 1 ATOM 1940 C C . ASP 146 1067 ? B -1.618 0.066 14.236 1.000 2 B 96.758 1 ATOM 1941 O O . ASP 146 1067 ? B -0.892 0.859 13.633 1.000 2 B 96.758 1 ATOM 1942 C CB . ASP 146 1067 ? B -0.449 -2.031 14.956 1.000 2 B 96.758 1 ATOM 1943 C CG . ASP 146 1067 ? B -0.340 -3.541 14.849 1.000 2 B 96.758 1 ATOM 1944 O OD1 . ASP 146 1067 ? B -1.230 -4.176 14.243 1.000 2 B 96.758 1 ATOM 1945 O OD2 . ASP 146 1067 ? B 0.644 -4.103 15.379 1.000 2 B 96.758 1 ATOM 1946 N N . TYR 147 1068 ? B -2.586 0.434 15.006 1.000 2 B 96.168 1 ATOM 1947 C CA . TYR 147 1068 ? B -2.781 1.844 15.324 1.000 2 B 96.168 1 ATOM 1948 C C . TYR 147 1068 ? B -3.080 2.033 16.806 1.000 2 B 96.168 1 ATOM 1949 O O . TYR 147 1068 ? B -3.980 1.390 17.351 1.000 2 B 96.168 1 ATOM 1950 C CB . TYR 147 1068 ? B -3.918 2.433 14.483 1.000 2 B 96.168 1 ATOM 1951 C CG . TYR 147 1068 ? B -4.232 3.872 14.810 1.000 2 B 96.168 1 ATOM 1952 C CD1 . TYR 147 1068 ? B -5.401 4.214 15.487 1.000 2 B 96.168 1 ATOM 1953 C CD2 . TYR 147 1068 ? B -3.363 4.893 14.442 1.000 2 B 96.168 1 ATOM 1954 C CE1 . TYR 147 1068 ? B -5.695 5.540 15.789 1.000 2 B 96.168 1 ATOM 1955 C CE2 . TYR 147 1068 ? B -3.647 6.222 14.738 1.000 2 B 96.168 1 ATOM 1956 C CZ . TYR 147 1068 ? B -4.814 6.535 15.412 1.000 2 B 96.168 1 ATOM 1957 O OH . TYR 147 1068 ? B -5.101 7.849 15.708 1.000 2 B 96.168 1 ATOM 1958 N N . GLU 148 1069 ? B -2.296 2.844 17.387 1.000 2 B 95.539 1 ATOM 1959 C CA . GLU 148 1069 ? B -2.524 3.225 18.778 1.000 2 B 95.539 1 ATOM 1960 C C . GLU 148 1069 ? B -3.221 4.579 18.873 1.000 2 B 95.539 1 ATOM 1961 O O . GLU 148 1069 ? B -2.691 5.590 18.407 1.000 2 B 95.539 1 ATOM 1962 C CB . GLU 148 1069 ? B -1.202 3.259 19.550 1.000 2 B 95.539 1 ATOM 1963 C CG . GLU 148 1069 ? B -0.575 1.888 19.756 1.000 2 B 95.539 1 ATOM 1964 C CD . GLU 148 1069 ? B 0.749 1.939 20.501 1.000 2 B 95.539 1 ATOM 1965 O OE1 . GLU 148 1069 ? B 1.408 0.884 20.642 1.000 2 B 95.539 1 ATOM 1966 O OE2 . GLU 148 1069 ? B 1.131 3.044 20.948 1.000 2 B 95.539 1 ATOM 1967 N N . PRO 149 1070 ? B -4.388 4.626 19.461 1.000 2 B 94.277 1 ATOM 1968 C CA . PRO 149 1070 ? B -5.199 5.843 19.537 1.000 2 B 94.277 1 ATOM 1969 C C . PRO 149 1070 ? B -4.514 6.961 20.319 1.000 2 B 94.277 1 ATOM 1970 O O . PRO 149 1070 ? B -3.835 6.696 21.315 1.000 2 B 94.277 1 ATOM 1971 C CB . PRO 149 1070 ? B -6.470 5.376 20.251 1.000 2 B 94.277 1 ATOM 1972 C CG . PRO 149 1070 ? B -6.499 3.895 20.050 1.000 2 B 94.277 1 ATOM 1973 C CD . PRO 149 1070 ? B -5.085 3.400 19.944 1.000 2 B 94.277 1 ATOM 1974 N N . GLN 150 1071 ? B -4.659 8.160 19.828 1.000 2 B 92.340 1 ATOM 1975 C CA . GLN 150 1071 ? B -4.125 9.354 20.474 1.000 2 B 92.340 1 ATOM 1976 C C . GLN 150 1071 ? B -5.216 10.105 21.233 1.000 2 B 92.340 1 ATOM 1977 O O . GLN 150 1071 ? B -4.930 10.827 22.190 1.000 2 B 92.340 1 ATOM 1978 C CB . GLN 150 1071 ? B -3.474 10.277 19.443 1.000 2 B 92.340 1 ATOM 1979 C CG . GLN 150 1071 ? B -2.259 9.669 18.754 1.000 2 B 92.340 1 ATOM 1980 C CD . GLN 150 1071 ? B -1.656 10.588 17.709 1.000 2 B 92.340 1 ATOM 1981 O OE1 . GLN 150 1071 ? B -2.056 11.749 17.578 1.000 2 B 92.340 1 ATOM 1982 N NE2 . GLN 150 1071 ? B -0.689 10.075 16.956 1.000 2 B 92.340 1 ATOM 1983 N N . ASN 151 1072 ? B -6.412 9.966 20.816 1.000 2 B 92.208 1 ATOM 1984 C CA . ASN 151 1072 ? B -7.585 10.567 21.442 1.000 2 B 92.208 1 ATOM 1985 C C . ASN 151 1072 ? B -8.565 9.504 21.932 1.000 2 B 92.208 1 ATOM 1986 O O . ASN 151 1072 ? B -8.503 8.351 21.502 1.000 2 B 92.208 1 ATOM 1987 C CB . ASN 151 1072 ? B -8.281 11.523 20.471 1.000 2 B 92.208 1 ATOM 1988 C CG . ASN 151 1072 ? B -7.369 12.637 19.994 1.000 2 B 92.208 1 ATOM 1989 O OD1 . ASN 151 1072 ? B -6.880 13.440 20.793 1.000 2 B 92.208 1 ATOM 1990 N ND2 . ASN 151 1072 ? B -7.134 12.692 18.689 1.000 2 B 92.208 1 ATOM 1991 N N . ASP 152 1073 ? B -9.454 9.836 22.884 1.000 2 B 92.509 1 ATOM 1992 C CA . ASP 152 1073 ? B -10.364 8.903 23.541 1.000 2 B 92.509 1 ATOM 1993 C C . ASP 152 1073 ? B -11.419 8.386 22.566 1.000 2 B 92.509 1 ATOM 1994 O O . ASP 152 1073 ? B -11.992 7.314 22.774 1.000 2 B 92.509 1 ATOM 1995 C CB . ASP 152 1073 ? B -11.040 9.569 24.742 1.000 2 B 92.509 1 ATOM 1996 C CG . ASP 152 1073 ? B -10.074 9.868 25.875 1.000 2 B 92.509 1 ATOM 1997 O OD1 . ASP 152 1073 ? B -9.006 9.223 25.953 1.000 2 B 92.509 1 ATOM 1998 O OD2 . ASP 152 1073 ? B -10.384 10.756 26.699 1.000 2 B 92.509 1 ATOM 1999 N N . ASP 153 1074 ? B -11.674 9.088 21.592 1.000 2 B 92.621 1 ATOM 2000 C CA . ASP 153 1074 ? B -12.723 8.693 20.657 1.000 2 B 92.621 1 ATOM 2001 C C . ASP 153 1074 ? B -12.151 7.868 19.506 1.000 2 B 92.621 1 ATOM 2002 O O . ASP 153 1074 ? B -12.854 7.575 18.537 1.000 2 B 92.621 1 ATOM 2003 C CB . ASP 153 1074 ? B -13.449 9.924 20.112 1.000 2 B 92.621 1 ATOM 2004 C CG . ASP 153 1074 ? B -12.517 10.905 19.422 1.000 2 B 92.621 1 ATOM 2005 O OD1 . ASP 153 1074 ? B -11.285 10.811 19.611 1.000 2 B 92.621 1 ATOM 2006 O OD2 . ASP 153 1074 ? B -13.019 11.781 18.685 1.000 2 B 92.621 1 ATOM 2007 N N . GLU 154 1075 ? B -10.853 7.524 19.506 1.000 2 B 94.964 1 ATOM 2008 C CA . GLU 154 1075 ? B -10.208 6.723 18.469 1.000 2 B 94.964 1 ATOM 2009 C C . GLU 154 1075 ? B -10.206 5.242 18.836 1.000 2 B 94.964 1 ATOM 2010 O O . GLU 154 1075 ? B -10.108 4.889 20.013 1.000 2 B 94.964 1 ATOM 2011 C CB . GLU 154 1075 ? B -8.776 7.208 18.229 1.000 2 B 94.964 1 ATOM 2012 C CG . GLU 154 1075 ? B -8.686 8.647 17.742 1.000 2 B 94.964 1 ATOM 2013 C CD . GLU 154 1075 ? B -7.256 9.136 17.577 1.000 2 B 94.964 1 ATOM 2014 O OE1 . GLU 154 1075 ? B -7.056 10.335 17.276 1.000 2 B 94.964 1 ATOM 2015 O OE2 . GLU 154 1075 ? B -6.329 8.314 17.747 1.000 2 B 94.964 1 ATOM 2016 N N . LEU 155 1076 ? B -10.287 4.549 17.780 1.000 2 B 95.637 1 ATOM 2017 C CA . LEU 155 1076 ? B -10.381 3.105 17.963 1.000 2 B 95.637 1 ATOM 2018 C C . LEU 155 1076 ? B -9.022 2.442 17.760 1.000 2 B 95.637 1 ATOM 2019 O O . LEU 155 1076 ? B -8.371 2.653 16.734 1.000 2 B 95.637 1 ATOM 2020 C CB . LEU 155 1076 ? B -11.403 2.506 16.993 1.000 2 B 95.637 1 ATOM 2021 C CG . LEU 155 1076 ? B -11.830 1.063 17.264 1.000 2 B 95.637 1 ATOM 2022 C CD1 . LEU 155 1076 ? B -12.634 0.981 18.557 1.000 2 B 95.637 1 ATOM 2023 C CD2 . LEU 155 1076 ? B -12.636 0.515 16.091 1.000 2 B 95.637 1 ATOM 2024 N N . PRO 156 1077 ? B -8.510 1.691 18.803 1.000 2 B 96.240 1 ATOM 2025 C CA . PRO 156 1077 ? B -7.286 0.913 18.603 1.000 2 B 96.240 1 ATOM 2026 C C . PRO 156 1077 ? B -7.468 -0.227 17.603 1.000 2 B 96.240 1 ATOM 2027 O O . PRO 156 1077 ? B -8.522 -0.866 17.575 1.000 2 B 96.240 1 ATOM 2028 C CB . PRO 156 1077 ? B -6.982 0.368 20.001 1.000 2 B 96.240 1 ATOM 2029 C CG . PRO 156 1077 ? B -8.312 0.295 20.680 1.000 2 B 96.240 1 ATOM 2030 C CD . PRO 156 1077 ? B -9.172 1.414 20.166 1.000 2 B 96.240 1 ATOM 2031 N N . MET 157 1078 ? B -6.452 -0.428 16.728 1.000 2 B 96.485 1 ATOM 2032 C CA . MET 157 1078 ? B -6.572 -1.497 15.741 1.000 2 B 96.485 1 ATOM 2033 C C . MET 157 1078 ? B -5.249 -2.238 15.578 1.000 2 B 96.485 1 ATOM 2034 O O . MET 157 1078 ? B -4.179 -1.659 15.774 1.000 2 B 96.485 1 ATOM 2035 C CB . MET 157 1078 ? B -7.026 -0.935 14.392 1.000 2 B 96.485 1 ATOM 2036 C CG . MET 157 1078 ? B -6.100 0.131 13.830 1.000 2 B 96.485 1 ATOM 2037 S SD . MET 157 1078 ? B -6.784 0.935 12.329 1.000 2 B 96.485 1 ATOM 2038 C CE . MET 157 1078 ? B -5.493 2.169 12.010 1.000 2 B 96.485 1 ATOM 2039 N N . LYS 158 1079 ? B -5.401 -3.503 15.339 1.000 2 B 96.909 1 ATOM 2040 C CA . LYS 158 1079 ? B -4.273 -4.362 14.990 1.000 2 B 96.909 1 ATOM 2041 C C . LYS 158 1079 ? B -4.370 -4.835 13.542 1.000 2 B 96.909 1 ATOM 2042 O O . LYS 158 1079 ? B -5.469 -5.007 13.012 1.000 2 B 96.909 1 ATOM 2043 C CB . LYS 158 1079 ? B -4.204 -5.566 15.931 1.000 2 B 96.909 1 ATOM 2044 C CG . LYS 158 1079 ? B -3.959 -5.201 17.387 1.000 2 B 96.909 1 ATOM 2045 C CD . LYS 158 1079 ? B -2.538 -4.696 17.605 1.000 2 B 96.909 1 ATOM 2046 C CE . LYS 158 1079 ? B -2.265 -4.412 19.076 1.000 2 B 96.909 1 ATOM 2047 N NZ . LYS 158 1079 ? B -0.921 -3.793 19.280 1.000 2 B 96.909 1 ATOM 2048 N N . GLU 159 1080 ? B -3.213 -4.930 12.998 1.000 2 B 95.530 1 ATOM 2049 C CA . GLU 159 1080 ? B -3.206 -5.437 11.629 1.000 2 B 95.530 1 ATOM 2050 C C . GLU 159 1080 ? B -4.033 -6.715 11.509 1.000 2 B 95.530 1 ATOM 2051 O O . GLU 159 1080 ? B -3.888 -7.632 12.320 1.000 2 B 95.530 1 ATOM 2052 C CB . GLU 159 1080 ? B -1.772 -5.693 11.157 1.000 2 B 95.530 1 ATOM 2053 C CG . GLU 159 1080 ? B -1.669 -6.086 9.690 1.000 2 B 95.530 1 ATOM 2054 C CD . GLU 159 1080 ? B -0.235 -6.275 9.220 1.000 2 B 95.530 1 ATOM 2055 O OE1 . GLU 159 1080 ? B -0.027 -6.668 8.049 1.000 2 B 95.530 1 ATOM 2056 O OE2 . GLU 159 1080 ? B 0.687 -6.028 10.028 1.000 2 B 95.530 1 ATOM 2057 N N . GLY 160 1081 ? B -4.987 -6.729 10.488 1.000 2 B 95.318 1 ATOM 2058 C CA . GLY 160 1081 ? B -5.816 -7.898 10.241 1.000 2 B 95.318 1 ATOM 2059 C C . GLY 160 1081 ? B -7.195 -7.794 10.863 1.000 2 B 95.318 1 ATOM 2060 O O . GLY 160 1081 ? B -8.068 -8.621 10.594 1.000 2 B 95.318 1 ATOM 2061 N N . ASP 161 1082 ? B -7.305 -6.804 11.759 1.000 2 B 96.835 1 ATOM 2062 C CA . ASP 161 1082 ? B -8.615 -6.604 12.371 1.000 2 B 96.835 1 ATOM 2063 C C . ASP 161 1082 ? B -9.678 -6.320 11.313 1.000 2 B 96.835 1 ATOM 2064 O O . ASP 161 1082 ? B -9.436 -5.564 10.369 1.000 2 B 96.835 1 ATOM 2065 C CB . ASP 161 1082 ? B -8.565 -5.461 13.387 1.000 2 B 96.835 1 ATOM 2066 C CG . ASP 161 1082 ? B -7.920 -5.863 14.701 1.000 2 B 96.835 1 ATOM 2067 O OD1 . ASP 161 1082 ? B -7.648 -7.066 14.905 1.000 2 B 96.835 1 ATOM 2068 O OD2 . ASP 161 1082 ? B -7.683 -4.969 15.543 1.000 2 B 96.835 1 ATOM 2069 N N . CYS 162 1083 ? B -10.813 -6.939 11.493 1.000 2 B 96.345 1 ATOM 2070 C CA . CYS 162 1083 ? B -11.978 -6.729 10.640 1.000 2 B 96.345 1 ATOM 2071 C C . CYS 162 1083 ? B -12.989 -5.809 11.314 1.000 2 B 96.345 1 ATOM 2072 O O . CYS 162 1083 ? B -13.384 -6.046 12.457 1.000 2 B 96.345 1 ATOM 2073 C CB . CYS 162 1083 ? B -12.639 -8.065 10.298 1.000 2 B 96.345 1 ATOM 2074 S SG . CYS 162 1083 ? B -14.106 -7.905 9.257 1.000 2 B 96.345 1 ATOM 2075 N N . MET 163 1084 ? B -13.372 -4.759 10.592 1.000 2 B 96.659 1 ATOM 2076 C CA . MET 163 1084 ? B -14.303 -3.802 11.184 1.000 2 B 96.659 1 ATOM 2077 C C . MET 163 1084 ? B -15.352 -3.364 10.168 1.000 2 B 96.659 1 ATOM 2078 O O . MET 163 1084 ? B -15.235 -3.666 8.979 1.000 2 B 96.659 1 ATOM 2079 C CB . MET 163 1084 ? B -13.552 -2.582 11.720 1.000 2 B 96.659 1 ATOM 2080 C CG . MET 163 1084 ? B -12.813 -1.797 10.648 1.000 2 B 96.659 1 ATOM 2081 S SD . MET 163 1084 ? B -11.623 -0.593 11.354 1.000 2 B 96.659 1 ATOM 2082 C CE . MET 163 1084 ? B -10.266 -1.710 11.805 1.000 2 B 96.659 1 ATOM 2083 N N . THR 164 1085 ? B -16.357 -2.743 10.729 1.000 2 B 97.026 1 ATOM 2084 C CA . THR 164 1085 ? B -17.436 -2.240 9.885 1.000 2 B 97.026 1 ATOM 2085 C C . THR 164 1085 ? B -17.510 -0.717 9.954 1.000 2 B 97.026 1 ATOM 2086 O O . THR 164 1085 ? B -17.528 -0.140 11.043 1.000 2 B 97.026 1 ATOM 2087 C CB . THR 164 1085 ? B -18.792 -2.842 10.295 1.000 2 B 97.026 1 ATOM 2088 O OG1 . THR 164 1085 ? B -18.711 -4.271 10.238 1.000 2 B 97.026 1 ATOM 2089 C CG2 . THR 164 1085 ? B -19.906 -2.370 9.366 1.000 2 B 97.026 1 ATOM 2090 N N . ILE 165 1086 ? B -17.570 -0.140 8.754 1.000 2 B 96.178 1 ATOM 2091 C CA . ILE 165 1086 ? B -17.656 1.315 8.691 1.000 2 B 96.178 1 ATOM 2092 C C . ILE 165 1086 ? B -19.107 1.755 8.870 1.000 2 B 96.178 1 ATOM 2093 O O . ILE 165 1086 ? B -19.991 1.319 8.129 1.000 2 B 96.178 1 ATOM 2094 C CB . ILE 165 1086 ? B -17.093 1.857 7.357 1.000 2 B 96.178 1 ATOM 2095 C CG1 . ILE 165 1086 ? B -15.631 1.431 7.183 1.000 2 B 96.178 1 ATOM 2096 C CG2 . ILE 165 1086 ? B -17.232 3.381 7.292 1.000 2 B 96.178 1 ATOM 2097 C CD1 . ILE 165 1086 ? B -14.713 1.897 8.305 1.000 2 B 96.178 1 ATOM 2098 N N . ILE 166 1087 ? B -19.377 2.600 9.894 1.000 2 B 94.548 1 ATOM 2099 C CA . ILE 166 1087 ? B -20.714 3.096 10.201 1.000 2 B 94.548 1 ATOM 2100 C C . ILE 166 1087 ? B -20.957 4.414 9.471 1.000 2 B 94.548 1 ATOM 2101 O O . ILE 166 1087 ? B -21.994 4.594 8.829 1.000 2 B 94.548 1 ATOM 2102 C CB . ILE 166 1087 ? B -20.913 3.281 11.722 1.000 2 B 94.548 1 ATOM 2103 C CG1 . ILE 166 1087 ? B -20.706 1.950 12.454 1.000 2 B 94.548 1 ATOM 2104 C CG2 . ILE 166 1087 ? B -22.300 3.860 12.019 1.000 2 B 94.548 1 ATOM 2105 C CD1 . ILE 166 1087 ? B -20.733 2.068 13.972 1.000 2 B 94.548 1 ATOM 2106 N N . HIS 167 1088 ? B -19.956 5.286 9.567 1.000 2 B 91.619 1 ATOM 2107 C CA . HIS 167 1088 ? B -20.066 6.577 8.897 1.000 2 B 91.619 1 ATOM 2108 C C . HIS 167 1088 ? B -18.746 6.973 8.244 1.000 2 B 91.619 1 ATOM 2109 O O . HIS 167 1088 ? B -17.708 7.016 8.909 1.000 2 B 91.619 1 ATOM 2110 C CB . HIS 167 1088 ? B -20.508 7.657 9.886 1.000 2 B 91.619 1 ATOM 2111 C CG . HIS 167 1088 ? B -20.739 8.992 9.253 1.000 2 B 91.619 1 ATOM 2112 N ND1 . HIS 167 1088 ? B -21.797 9.240 8.405 1.000 2 B 91.619 1 ATOM 2113 C CD2 . HIS 167 1088 ? B -20.048 10.152 9.347 1.000 2 B 91.619 1 ATOM 2114 C CE1 . HIS 167 1088 ? B -21.745 10.500 8.004 1.000 2 B 91.619 1 ATOM 2115 N NE2 . HIS 167 1088 ? B -20.694 11.075 8.561 1.000 2 B 91.619 1 ATOM 2116 N N . ARG 168 1089 ? B -18.940 7.307 6.903 1.000 2 B 89.848 1 ATOM 2117 C CA . ARG 168 1089 ? B -17.773 7.835 6.204 1.000 2 B 89.848 1 ATOM 2118 C C . ARG 168 1089 ? B -17.701 9.354 6.327 1.000 2 B 89.848 1 ATOM 2119 O O . ARG 168 1089 ? B -18.732 10.022 6.430 1.000 2 B 89.848 1 ATOM 2120 C CB . ARG 168 1089 ? B -17.799 7.430 4.729 1.000 2 B 89.848 1 ATOM 2121 C CG . ARG 168 1089 ? B -17.629 5.937 4.498 1.000 2 B 89.848 1 ATOM 2122 C CD . ARG 168 1089 ? B -17.786 5.572 3.028 1.000 2 B 89.848 1 ATOM 2123 N NE . ARG 168 1089 ? B -16.805 6.262 2.194 1.000 2 B 89.848 1 ATOM 2124 C CZ . ARG 168 1089 ? B -16.823 6.285 0.864 1.000 2 B 89.848 1 ATOM 2125 N NH1 . ARG 168 1089 ? B -17.777 5.654 0.188 1.000 2 B 89.848 1 ATOM 2126 N NH2 . ARG 168 1089 ? B -15.881 6.943 0.205 1.000 2 B 89.848 1 ATOM 2127 N N . GLU 169 1090 ? B -16.494 9.928 6.445 1.000 2 B 81.410 1 ATOM 2128 C CA . GLU 169 1090 ? B -16.160 11.343 6.312 1.000 2 B 81.410 1 ATOM 2129 C C . GLU 169 1090 ? B -17.287 12.228 6.834 1.000 2 B 81.410 1 ATOM 2130 O O . GLU 169 1090 ? B -18.465 11.907 6.665 1.000 2 B 81.410 1 ATOM 2131 C CB . GLU 169 1090 ? B -15.854 11.688 4.852 1.000 2 B 81.410 1 ATOM 2132 C CG . GLU 169 1090 ? B -17.016 11.433 3.903 1.000 2 B 81.410 1 ATOM 2133 C CD . GLU 169 1090 ? B -16.642 11.598 2.439 1.000 2 B 81.410 1 ATOM 2134 O OE1 . GLU 169 1090 ? B -17.546 11.557 1.573 1.000 2 B 81.410 1 ATOM 2135 O OE2 . GLU 169 1090 ? B -15.435 11.767 2.154 1.000 2 B 81.410 1 ATOM 2136 N N . ASP 170 1091 ? B -17.042 13.046 7.773 1.000 2 B 75.826 1 ATOM 2137 C CA . ASP 170 1091 ? B -17.944 14.105 8.215 1.000 2 B 75.826 1 ATOM 2138 C C . ASP 170 1091 ? B -17.399 15.482 7.842 1.000 2 B 75.826 1 ATOM 2139 O O . ASP 170 1091 ? B -16.419 15.587 7.101 1.000 2 B 75.826 1 ATOM 2140 C CB . ASP 170 1091 ? B -18.171 14.021 9.725 1.000 2 B 75.826 1 ATOM 2141 C CG . ASP 170 1091 ? B -16.900 14.233 10.529 1.000 2 B 75.826 1 ATOM 2142 O OD1 . ASP 170 1091 ? B -15.925 14.799 9.990 1.000 2 B 75.826 1 ATOM 2143 O OD2 . ASP 170 1091 ? B -16.873 13.828 11.712 1.000 2 B 75.826 1 ATOM 2144 N N . GLU 171 1092 ? B -18.203 16.500 7.923 1.000 2 B 75.880 1 ATOM 2145 C CA . GLU 171 1092 ? B -17.851 17.855 7.510 1.000 2 B 75.880 1 ATOM 2146 C C . GLU 171 1092 ? B -16.529 18.295 8.133 1.000 2 B 75.880 1 ATOM 2147 O O . GLU 171 1092 ? B -15.756 19.026 7.510 1.000 2 B 75.880 1 ATOM 2148 C CB . GLU 171 1092 ? B -18.962 18.838 7.886 1.000 2 B 75.880 1 ATOM 2149 C CG . GLU 171 1092 ? B -20.262 18.618 7.125 1.000 2 B 75.880 1 ATOM 2150 C CD . GLU 171 1092 ? B -21.347 19.619 7.488 1.000 2 B 75.880 1 ATOM 2151 O OE1 . GLU 171 1092 ? B -22.444 19.570 6.886 1.000 2 B 75.880 1 ATOM 2152 O OE2 . GLU 171 1092 ? B -21.098 20.459 8.381 1.000 2 B 75.880 1 ATOM 2153 N N . ASP 172 1093 ? B -16.206 17.729 9.205 1.000 2 B 79.220 1 ATOM 2154 C CA . ASP 172 1093 ? B -15.062 18.201 9.979 1.000 2 B 79.220 1 ATOM 2155 C C . ASP 172 1093 ? B -13.872 17.255 9.831 1.000 2 B 79.220 1 ATOM 2156 O O . ASP 172 1093 ? B -12.718 17.685 9.898 1.000 2 B 79.220 1 ATOM 2157 C CB . ASP 172 1093 ? B -15.436 18.349 11.455 1.000 2 B 79.220 1 ATOM 2158 C CG . ASP 172 1093 ? B -16.530 19.375 11.689 1.000 2 B 79.220 1 ATOM 2159 O OD1 . ASP 172 1093 ? B -16.457 20.485 11.119 1.000 2 B 79.220 1 ATOM 2160 O OD2 . ASP 172 1093 ? B -17.473 19.072 12.452 1.000 2 B 79.220 1 ATOM 2161 N N . GLU 173 1094 ? B -14.173 16.027 9.530 1.000 2 B 83.676 1 ATOM 2162 C CA . GLU 173 1094 ? B -13.112 15.026 9.468 1.000 2 B 83.676 1 ATOM 2163 C C . GLU 173 1094 ? B -13.245 14.157 8.221 1.000 2 B 83.676 1 ATOM 2164 O O . GLU 173 1094 ? B -13.857 13.088 8.266 1.000 2 B 83.676 1 ATOM 2165 C CB . GLU 173 1094 ? B -13.124 14.151 10.723 1.000 2 B 83.676 1 ATOM 2166 C CG . GLU 173 1094 ? B -12.932 14.928 12.017 1.000 2 B 83.676 1 ATOM 2167 C CD . GLU 173 1094 ? B -11.483 15.305 12.282 1.000 2 B 83.676 1 ATOM 2168 O OE1 . GLU 173 1094 ? B -11.216 16.039 13.260 1.000 2 B 83.676 1 ATOM 2169 O OE2 . GLU 173 1094 ? B -10.608 14.862 11.505 1.000 2 B 83.676 1 ATOM 2170 N N . ILE 174 1095 ? B -12.569 14.546 7.186 1.000 2 B 88.198 1 ATOM 2171 C CA . ILE 174 1095 ? B -12.715 13.899 5.887 1.000 2 B 88.198 1 ATOM 2172 C C . ILE 174 1095 ? B -11.893 12.613 5.855 1.000 2 B 88.198 1 ATOM 2173 O O . ILE 174 1095 ? B -12.316 11.613 5.270 1.000 2 B 88.198 1 ATOM 2174 C CB . ILE 174 1095 ? B -12.287 14.838 4.737 1.000 2 B 88.198 1 ATOM 2175 C CG1 . ILE 174 1095 ? B -13.136 16.114 4.745 1.000 2 B 88.198 1 ATOM 2176 C CG2 . ILE 174 1095 ? B -12.390 14.120 3.387 1.000 2 B 88.198 1 ATOM 2177 C CD1 . ILE 174 1095 ? B -12.643 17.192 3.789 1.000 2 B 88.198 1 ATOM 2178 N N . GLU 175 1096 ? B -10.839 12.551 6.617 1.000 2 B 91.843 1 ATOM 2179 C CA . GLU 175 1096 ? B -9.880 11.455 6.516 1.000 2 B 91.843 1 ATOM 2180 C C . GLU 175 1096 ? B -10.088 10.435 7.632 1.000 2 B 91.843 1 ATOM 2181 O O . GLU 175 1096 ? B -9.362 9.442 7.716 1.000 2 B 91.843 1 ATOM 2182 C CB . GLU 175 1096 ? B -8.446 11.989 6.552 1.000 2 B 91.843 1 ATOM 2183 C CG . GLU 175 1096 ? B -8.081 12.853 5.354 1.000 2 B 91.843 1 ATOM 2184 C CD . GLU 175 1096 ? B -6.656 13.380 5.406 1.000 2 B 91.843 1 ATOM 2185 O OE1 . GLU 175 1096 ? B -6.138 13.835 4.361 1.000 2 B 91.843 1 ATOM 2186 O OE2 . GLU 175 1096 ? B -6.051 13.336 6.501 1.000 2 B 91.843 1 ATOM 2187 N N . TRP 176 1097 ? B -11.014 10.753 8.503 1.000 2 B 94.375 1 ATOM 2188 C CA . TRP 176 1097 ? B -11.297 9.865 9.625 1.000 2 B 94.375 1 ATOM 2189 C C . TRP 176 1097 ? B -12.711 9.304 9.532 1.000 2 B 94.375 1 ATOM 2190 O O . TRP 176 1097 ? B -13.674 10.055 9.361 1.000 2 B 94.375 1 ATOM 2191 C CB . TRP 176 1097 ? B -11.113 10.603 10.955 1.000 2 B 94.375 1 ATOM 2192 C CG . TRP 176 1097 ? B -9.691 10.964 11.259 1.000 2 B 94.375 1 ATOM 2193 C CD1 . TRP 176 1097 ? B -8.976 12.008 10.740 1.000 2 B 94.375 1 ATOM 2194 C CD2 . TRP 176 1097 ? B -8.808 10.278 12.152 1.000 2 B 94.375 1 ATOM 2195 N NE1 . TRP 176 1097 ? B -7.701 12.012 11.257 1.000 2 B 94.375 1 ATOM 2196 C CE2 . TRP 176 1097 ? B -7.572 10.962 12.126 1.000 2 B 94.375 1 ATOM 2197 C CE3 . TRP 176 1097 ? B -8.942 9.151 12.974 1.000 2 B 94.375 1 ATOM 2198 C CZ2 . TRP 176 1097 ? B -6.476 10.555 12.890 1.000 2 B 94.375 1 ATOM 2199 C CZ3 . TRP 176 1097 ? B -7.850 8.747 13.734 1.000 2 B 94.375 1 ATOM 2200 C CH2 . TRP 176 1097 ? B -6.634 9.449 13.685 1.000 2 B 94.375 1 ATOM 2201 N N . TRP 177 1098 ? B -12.737 7.971 9.641 1.000 2 B 95.259 1 ATOM 2202 C CA . TRP 177 1098 ? B -14.028 7.300 9.532 1.000 2 B 95.259 1 ATOM 2203 C C . TRP 177 1098 ? B -14.460 6.729 10.879 1.000 2 B 95.259 1 ATOM 2204 O O . TRP 177 1098 ? B -13.619 6.371 11.706 1.000 2 B 95.259 1 ATOM 2205 C CB . TRP 177 1098 ? B -13.968 6.184 8.486 1.000 2 B 95.259 1 ATOM 2206 C CG . TRP 177 1098 ? B -13.747 6.673 7.086 1.000 2 B 95.259 1 ATOM 2207 C CD1 . TRP 177 1098 ? B -13.726 7.973 6.661 1.000 2 B 95.259 1 ATOM 2208 C CD2 . TRP 177 1098 ? B -13.520 5.868 5.925 1.000 2 B 95.259 1 ATOM 2209 N NE1 . TRP 177 1098 ? B -13.498 8.023 5.305 1.000 2 B 95.259 1 ATOM 2210 C CE2 . TRP 177 1098 ? B -13.369 6.746 4.830 1.000 2 B 95.259 1 ATOM 2211 C CE3 . TRP 177 1098 ? B -13.429 4.487 5.706 1.000 2 B 95.259 1 ATOM 2212 C CZ2 . TRP 177 1098 ? B -13.131 6.287 3.532 1.000 2 B 95.259 1 ATOM 2213 C CZ3 . TRP 177 1098 ? B -13.192 4.032 4.414 1.000 2 B 95.259 1 ATOM 2214 C CH2 . TRP 177 1098 ? B -13.046 4.931 3.345 1.000 2 B 95.259 1 ATOM 2215 N N . TRP 178 1099 ? B -15.840 6.711 11.096 1.000 2 B 95.135 1 ATOM 2216 C CA . TRP 178 1099 ? B -16.408 6.100 12.293 1.000 2 B 95.135 1 ATOM 2217 C C . TRP 178 1099 ? B -16.691 4.619 12.067 1.000 2 B 95.135 1 ATOM 2218 O O . TRP 178 1099 ? B -17.433 4.255 11.151 1.000 2 B 95.135 1 ATOM 2219 C CB . TRP 178 1099 ? B -17.694 6.821 12.707 1.000 2 B 95.135 1 ATOM 2220 C CG . TRP 178 1099 ? B -18.137 6.521 14.107 1.000 2 B 95.135 1 ATOM 2221 C CD1 . TRP 178 1099 ? B -19.133 5.667 14.491 1.000 2 B 95.135 1 ATOM 2222 C CD2 . TRP 178 1099 ? B -17.600 7.078 15.311 1.000 2 B 95.135 1 ATOM 2223 N NE1 . TRP 178 1099 ? B -19.248 5.659 15.862 1.000 2 B 95.135 1 ATOM 2224 C CE2 . TRP 178 1099 ? B -18.319 6.516 16.389 1.000 2 B 95.135 1 ATOM 2225 C CE3 . TRP 178 1099 ? B -16.579 7.998 15.583 1.000 2 B 95.135 1 ATOM 2226 C CZ2 . TRP 178 1099 ? B -18.049 6.845 17.719 1.000 2 B 95.135 1 ATOM 2227 C CZ3 . TRP 178 1099 ? B -16.311 8.324 16.908 1.000 2 B 95.135 1 ATOM 2228 C CH2 . TRP 178 1099 ? B -17.045 7.747 17.958 1.000 2 B 95.135 1 ATOM 2229 N N . ALA 179 1100 ? B -16.020 3.765 12.861 1.000 2 B 96.496 1 ATOM 2230 C CA . ALA 179 1100 ? B -16.093 2.327 12.615 1.000 2 B 96.496 1 ATOM 2231 C C . ALA 179 1100 ? B -16.409 1.566 13.900 1.000 2 B 96.496 1 ATOM 2232 O O . ALA 179 1100 ? B -16.261 2.105 15.000 1.000 2 B 96.496 1 ATOM 2233 C CB . ALA 179 1100 ? B -14.786 1.823 12.009 1.000 2 B 96.496 1 ATOM 2234 N N . ARG 180 1101 ? B -16.891 0.454 13.691 1.000 2 B 97.048 1 ATOM 2235 C CA . ARG 180 1101 ? B -17.165 -0.461 14.795 1.000 2 B 97.048 1 ATOM 2236 C C . ARG 180 1101 ? B -16.273 -1.695 14.717 1.000 2 B 97.048 1 ATOM 2237 O O . ARG 180 1101 ? B -16.260 -2.395 13.702 1.000 2 B 97.048 1 ATOM 2238 C CB . ARG 180 1101 ? B -18.637 -0.877 14.796 1.000 2 B 97.048 1 ATOM 2239 C CG . ARG 180 1101 ? B -19.016 -1.798 15.945 1.000 2 B 97.048 1 ATOM 2240 C CD . ARG 180 1101 ? B -20.473 -2.232 15.862 1.000 2 B 97.048 1 ATOM 2241 N NE . ARG 180 1101 ? B -21.383 -1.101 16.016 1.000 2 B 97.048 1 ATOM 2242 C CZ . ARG 180 1101 ? B -22.710 -1.186 15.987 1.000 2 B 97.048 1 ATOM 2243 N NH1 . ARG 180 1101 ? B -23.311 -2.357 15.807 1.000 2 B 97.048 1 ATOM 2244 N NH2 . ARG 180 1101 ? B -23.443 -0.093 16.138 1.000 2 B 97.048 1 ATOM 2245 N N . LEU 181 1102 ? B -15.428 -1.921 15.692 1.000 2 B 95.905 1 ATOM 2246 C CA . LEU 181 1102 ? B -14.592 -3.104 15.870 1.000 2 B 95.905 1 ATOM 2247 C C . LEU 181 1102 ? B -15.050 -3.916 17.077 1.000 2 B 95.905 1 ATOM 2248 O O . LEU 181 1102 ? B -14.885 -3.485 18.220 1.000 2 B 95.905 1 ATOM 2249 C CB . LEU 181 1102 ? B -13.124 -2.702 16.038 1.000 2 B 95.905 1 ATOM 2250 C CG . LEU 181 1102 ? B -12.124 -3.847 16.211 1.000 2 B 95.905 1 ATOM 2251 C CD1 . LEU 181 1102 ? B -12.095 -4.718 14.959 1.000 2 B 95.905 1 ATOM 2252 C CD2 . LEU 181 1102 ? B -10.735 -3.300 16.521 1.000 2 B 95.905 1 ATOM 2253 N N . ASN 182 1103 ? B -15.692 -5.031 16.810 1.000 2 B 92.622 1 ATOM 2254 C CA . ASN 182 1103 ? B -16.311 -5.828 17.863 1.000 2 B 92.622 1 ATOM 2255 C C . ASN 182 1103 ? B -17.416 -5.054 18.576 1.000 2 B 92.622 1 ATOM 2256 O O . ASN 182 1103 ? B -18.441 -4.730 17.974 1.000 2 B 92.622 1 ATOM 2257 C CB . ASN 182 1103 ? B -15.259 -6.299 18.869 1.000 2 B 92.622 1 ATOM 2258 C CG . ASN 182 1103 ? B -14.177 -7.147 18.229 1.000 2 B 92.622 1 ATOM 2259 O OD1 . ASN 182 1103 ? B -14.454 -7.973 17.355 1.000 2 B 92.622 1 ATOM 2260 N ND2 . ASN 182 1103 ? B -12.937 -6.950 18.659 1.000 2 B 92.622 1 ATOM 2261 N N . ASP 183 1104 ? B -17.177 -4.587 19.892 1.000 2 B 92.927 1 ATOM 2262 C CA . ASP 183 1104 ? B -18.219 -3.894 20.644 1.000 2 B 92.927 1 ATOM 2263 C C . ASP 183 1104 ? B -17.868 -2.421 20.840 1.000 2 B 92.927 1 ATOM 2264 O O . ASP 183 1104 ? B -18.615 -1.679 21.481 1.000 2 B 92.927 1 ATOM 2265 C CB . ASP 183 1104 ? B -18.440 -4.567 22.000 1.000 2 B 92.927 1 ATOM 2266 C CG . ASP 183 1104 ? B -18.974 -5.984 21.879 1.000 2 B 92.927 1 ATOM 2267 O OD1 . ASP 183 1104 ? B -19.775 -6.257 20.959 1.000 2 B 92.927 1 ATOM 2268 O OD2 . ASP 183 1104 ? B -18.592 -6.833 22.713 1.000 2 B 92.927 1 ATOM 2269 N N . LYS 184 1105 ? B -16.806 -2.026 20.259 1.000 2 B 95.930 1 ATOM 2270 C CA . LYS 184 1105 ? B -16.364 -0.648 20.446 1.000 2 B 95.930 1 ATOM 2271 C C . LYS 184 1105 ? B -16.447 0.138 19.141 1.000 2 B 95.930 1 ATOM 2272 O O . LYS 184 1105 ? B -16.206 -0.410 18.063 1.000 2 B 95.930 1 ATOM 2273 C CB . LYS 184 1105 ? B -14.934 -0.612 20.989 1.000 2 B 95.930 1 ATOM 2274 C CG . LYS 184 1105 ? B -14.787 -1.199 22.385 1.000 2 B 95.930 1 ATOM 2275 C CD . LYS 184 1105 ? B -13.356 -1.078 22.894 1.000 2 B 95.930 1 ATOM 2276 C CE . LYS 184 1105 ? B -13.200 -1.698 24.276 1.000 2 B 95.930 1 ATOM 2277 N NZ . LYS 184 1105 ? B -11.793 -1.605 24.769 1.000 2 B 95.930 1 ATOM 2278 N N . GLU 185 1106 ? B -16.844 1.382 19.316 1.000 2 B 96.710 1 ATOM 2279 C CA . GLU 185 1106 ? B -16.901 2.289 18.173 1.000 2 B 96.710 1 ATOM 2280 C C . GLU 185 1106 ? B -15.928 3.452 18.343 1.000 2 B 96.710 1 ATOM 2281 O O . GLU 185 1106 ? B -15.624 3.855 19.468 1.000 2 B 96.710 1 ATOM 2282 C CB . GLU 185 1106 ? B -18.324 2.817 17.976 1.000 2 B 96.710 1 ATOM 2283 C CG . GLU 185 1106 ? B -19.346 1.732 17.669 1.000 2 B 96.710 1 ATOM 2284 C CD . GLU 185 1106 ? B -20.751 2.273 17.461 1.000 2 B 96.710 1 ATOM 2285 O OE1 . GLU 185 1106 ? B -21.669 1.477 17.155 1.000 2 B 96.710 1 ATOM 2286 O OE2 . GLU 185 1106 ? B -20.936 3.502 17.603 1.000 2 B 96.710 1 ATOM 2287 N N . GLY 186 1107 ? B -15.460 3.858 17.240 1.000 2 B 95.439 1 ATOM 2288 C CA . GLY 186 1107 ? B -14.557 4.996 17.286 1.000 2 B 95.439 1 ATOM 2289 C C . GLY 186 1107 ? B -14.018 5.386 15.922 1.000 2 B 95.439 1 ATOM 2290 O O . GLY 186 1107 ? B -14.324 4.738 14.920 1.000 2 B 95.439 1 ATOM 2291 N N . TYR 187 1108 ? B -13.214 6.442 15.932 1.000 2 B 95.494 1 ATOM 2292 C CA . TYR 187 1108 ? B -12.645 6.953 14.690 1.000 2 B 95.494 1 ATOM 2293 C C . TYR 187 1108 ? B -11.397 6.169 14.299 1.000 2 B 95.494 1 ATOM 2294 O O . TYR 187 1108 ? B -10.572 5.836 15.154 1.000 2 B 95.494 1 ATOM 2295 C CB . TYR 187 1108 ? B -12.305 8.440 14.825 1.000 2 B 95.494 1 ATOM 2296 C CG . TYR 187 1108 ? B -13.500 9.351 14.680 1.000 2 B 95.494 1 ATOM 2297 C CD1 . TYR 187 1108 ? B -14.060 9.604 13.430 1.000 2 B 95.494 1 ATOM 2298 C CD2 . TYR 187 1108 ? B -14.071 9.961 15.792 1.000 2 B 95.494 1 ATOM 2299 C CE1 . TYR 187 1108 ? B -15.160 10.444 13.291 1.000 2 B 95.494 1 ATOM 2300 C CE2 . TYR 187 1108 ? B -15.171 10.803 15.665 1.000 2 B 95.494 1 ATOM 2301 C CZ . TYR 187 1108 ? B -15.707 11.038 14.412 1.000 2 B 95.494 1 ATOM 2302 O OH . TYR 187 1108 ? B -16.796 11.870 14.280 1.000 2 B 95.494 1 ATOM 2303 N N . VAL 188 1109 ? B -11.300 5.920 13.004 1.000 2 B 95.731 1 ATOM 2304 C CA . VAL 188 1109 ? B -10.128 5.254 12.446 1.000 2 B 95.731 1 ATOM 2305 C C . VAL 188 1109 ? B -9.635 6.015 11.218 1.000 2 B 95.731 1 ATOM 2306 O O . VAL 188 1109 ? B -10.434 6.590 10.475 1.000 2 B 95.731 1 ATOM 2307 C CB . VAL 188 1109 ? B -10.432 3.785 12.077 1.000 2 B 95.731 1 ATOM 2308 C CG1 . VAL 188 1109 ? B -10.753 2.968 13.327 1.000 2 B 95.731 1 ATOM 2309 C CG2 . VAL 188 1109 ? B -11.586 3.714 11.078 1.000 2 B 95.731 1 ATOM 2310 N N . PRO 189 1110 ? B -8.358 6.091 11.019 1.000 2 B 95.659 1 ATOM 2311 C CA . PRO 189 1110 ? B -7.818 6.727 9.814 1.000 2 B 95.659 1 ATOM 2312 C C . PRO 189 1110 ? B -7.994 5.868 8.564 1.000 2 B 95.659 1 ATOM 2313 O O . PRO 189 1110 ? B -7.544 4.720 8.532 1.000 2 B 95.659 1 ATOM 2314 C CB . PRO 189 1110 ? B -6.335 6.910 10.147 1.000 2 B 95.659 1 ATOM 2315 C CG . PRO 189 1110 ? B -6.030 5.832 11.137 1.000 2 B 95.659 1 ATOM 2316 C CD . PRO 189 1110 ? B -7.277 5.536 11.919 1.000 2 B 95.659 1 ATOM 2317 N N . ARG 190 1111 ? B -8.522 6.437 7.539 1.000 2 B 95.568 1 ATOM 2318 C CA . ARG 190 1111 ? B -8.902 5.656 6.366 1.000 2 B 95.568 1 ATOM 2319 C C . ARG 190 1111 ? B -7.671 5.206 5.586 1.000 2 B 95.568 1 ATOM 2320 O O . ARG 190 1111 ? B -7.722 4.219 4.850 1.000 2 B 95.568 1 ATOM 2321 C CB . ARG 190 1111 ? B -9.831 6.465 5.459 1.000 2 B 95.568 1 ATOM 2322 C CG . ARG 190 1111 ? B -9.174 7.685 4.835 1.000 2 B 95.568 1 ATOM 2323 C CD . ARG 190 1111 ? B -10.140 8.452 3.942 1.000 2 B 95.568 1 ATOM 2324 N NE . ARG 190 1111 ? B -9.499 9.608 3.323 1.000 2 B 95.568 1 ATOM 2325 C CZ . ARG 190 1111 ? B -10.088 10.427 2.455 1.000 2 B 95.568 1 ATOM 2326 N NH1 . ARG 190 1111 ? B -11.348 10.230 2.086 1.000 2 B 95.568 1 ATOM 2327 N NH2 . ARG 190 1111 ? B -9.412 11.449 1.953 1.000 2 B 95.568 1 ATOM 2328 N N . ASN 191 1112 ? B -6.578 5.966 5.729 1.000 2 B 95.698 1 ATOM 2329 C CA . ASN 191 1112 ? B -5.383 5.613 4.968 1.000 2 B 95.698 1 ATOM 2330 C C . ASN 191 1112 ? B -4.712 4.363 5.529 1.000 2 B 95.698 1 ATOM 2331 O O . ASN 191 1112 ? B -3.774 3.834 4.928 1.000 2 B 95.698 1 ATOM 2332 C CB . ASN 191 1112 ? B -4.396 6.782 4.946 1.000 2 B 95.698 1 ATOM 2333 C CG . ASN 191 1112 ? B -3.929 7.178 6.333 1.000 2 B 95.698 1 ATOM 2334 O OD1 . ASN 191 1112 ? B -4.722 7.232 7.277 1.000 2 B 95.698 1 ATOM 2335 N ND2 . ASN 191 1112 ? B -2.638 7.457 6.467 1.000 2 B 95.698 1 ATOM 2336 N N . LEU 192 1113 ? B -5.166 3.878 6.608 1.000 2 B 96.617 1 ATOM 2337 C CA . LEU 192 1113 ? B -4.602 2.680 7.221 1.000 2 B 96.617 1 ATOM 2338 C C . LEU 192 1113 ? B -5.494 1.469 6.967 1.000 2 B 96.617 1 ATOM 2339 O O . LEU 192 1113 ? B -5.281 0.403 7.549 1.000 2 B 96.617 1 ATOM 2340 C CB . LEU 192 1113 ? B -4.416 2.884 8.726 1.000 2 B 96.617 1 ATOM 2341 C CG . LEU 192 1113 ? B -3.509 4.043 9.146 1.000 2 B 96.617 1 ATOM 2342 C CD1 . LEU 192 1113 ? B -3.368 4.081 10.664 1.000 2 B 96.617 1 ATOM 2343 C CD2 . LEU 192 1113 ? B -2.143 3.921 8.480 1.000 2 B 96.617 1 ATOM 2344 N N . LEU 193 1114 ? B -6.487 1.666 6.186 1.000 2 B 96.791 1 ATOM 2345 C CA . LEU 193 1114 ? B -7.475 0.618 5.957 1.000 2 B 96.791 1 ATOM 2346 C C . LEU 193 1114 ? B -7.338 0.038 4.553 1.000 2 B 96.791 1 ATOM 2347 O O . LEU 193 1114 ? B -6.777 0.682 3.664 1.000 2 B 96.791 1 ATOM 2348 C CB . LEU 193 1114 ? B -8.891 1.162 6.161 1.000 2 B 96.791 1 ATOM 2349 C CG . LEU 193 1114 ? B -9.152 1.900 7.475 1.000 2 B 96.791 1 ATOM 2350 C CD1 . LEU 193 1114 ? B -10.557 2.491 7.482 1.000 2 B 96.791 1 ATOM 2351 C CD2 . LEU 193 1114 ? B -8.955 0.963 8.663 1.000 2 B 96.791 1 ATOM 2352 N N . GLY 194 1115 ? B -7.834 -1.215 4.396 1.000 2 B 96.758 1 ATOM 2353 C CA . GLY 194 1115 ? B -7.914 -1.901 3.116 1.000 2 B 96.758 1 ATOM 2354 C C . GLY 194 1115 ? B -9.198 -2.688 2.940 1.000 2 B 96.758 1 ATOM 2355 O O . GLY 194 1115 ? B -9.889 -2.985 3.917 1.000 2 B 96.758 1 ATOM 2356 N N . LEU 195 1116 ? B -9.520 -3.025 1.676 1.000 2 B 96.421 1 ATOM 2357 C CA . LEU 195 1116 ? B -10.711 -3.811 1.374 1.000 2 B 96.421 1 ATOM 2358 C C . LEU 195 1116 ? B -10.517 -5.269 1.778 1.000 2 B 96.421 1 ATOM 2359 O O . LEU 195 1116 ? B -11.474 -5.943 2.166 1.000 2 B 96.421 1 ATOM 2360 C CB . LEU 195 1116 ? B -11.048 -3.724 -0.117 1.000 2 B 96.421 1 ATOM 2361 C CG . LEU 195 1116 ? B -11.753 -2.447 -0.578 1.000 2 B 96.421 1 ATOM 2362 C CD1 . LEU 195 1116 ? B -11.843 -2.412 -2.100 1.000 2 B 96.421 1 ATOM 2363 C CD2 . LEU 195 1116 ? B -13.140 -2.346 0.047 1.000 2 B 96.421 1 ATOM 2364 N N . TYR 196 1117 ? B -9.270 -5.696 1.617 1.000 2 B 96.547 1 ATOM 2365 C CA . TYR 196 1117 ? B -8.894 -7.061 1.966 1.000 2 B 96.547 1 ATOM 2366 C C . TYR 196 1117 ? B -7.713 -7.071 2.930 1.000 2 B 96.547 1 ATOM 2367 O O . TYR 196 1117 ? B -6.924 -6.124 2.966 1.000 2 B 96.547 1 ATOM 2368 C CB . TYR 196 1117 ? B -8.547 -7.862 0.708 1.000 2 B 96.547 1 ATOM 2369 C CG . TYR 196 1117 ? B -9.701 -8.010 -0.254 1.000 2 B 96.547 1 ATOM 2370 C CD1 . TYR 196 1117 ? B -10.564 -9.101 -0.176 1.000 2 B 96.547 1 ATOM 2371 C CD2 . TYR 196 1117 ? B -9.930 -7.060 -1.244 1.000 2 B 96.547 1 ATOM 2372 C CE1 . TYR 196 1117 ? B -11.627 -9.242 -1.061 1.000 2 B 96.547 1 ATOM 2373 C CE2 . TYR 196 1117 ? B -10.990 -7.191 -2.135 1.000 2 B 96.547 1 ATOM 2374 C CZ . TYR 196 1117 ? B -11.832 -8.284 -2.036 1.000 2 B 96.547 1 ATOM 2375 O OH . TYR 196 1117 ? B -12.883 -8.419 -2.915 1.000 2 B 96.547 1 ATOM 2376 N N . PRO 197 1118 ? B -7.722 -8.138 3.704 1.000 2 B 95.902 1 ATOM 2377 C CA . PRO 197 1118 ? B -6.544 -8.223 4.570 1.000 2 B 95.902 1 ATOM 2378 C C . PRO 197 1118 ? B -5.256 -8.481 3.792 1.000 2 B 95.902 1 ATOM 2379 O O . PRO 197 1118 ? B -5.296 -9.044 2.694 1.000 2 B 95.902 1 ATOM 2380 C CB . PRO 197 1118 ? B -6.869 -9.400 5.494 1.000 2 B 95.902 1 ATOM 2381 C CG . PRO 197 1118 ? B -7.775 -10.276 4.691 1.000 2 B 95.902 1 ATOM 2382 C CD . PRO 197 1118 ? B -8.616 -9.406 3.801 1.000 2 B 95.902 1 ATOM 2383 N N . ARG 198 1119 ? B -4.149 -8.140 4.408 1.000 2 B 94.810 1 ATOM 2384 C CA . ARG 198 1119 ? B -2.844 -8.381 3.802 1.000 2 B 94.810 1 ATOM 2385 C C . ARG 198 1119 ? B -2.464 -9.856 3.885 1.000 2 B 94.810 1 ATOM 2386 O O . ARG 198 1119 ? B -2.747 -10.519 4.884 1.000 2 B 94.810 1 ATOM 2387 C CB . ARG 198 1119 ? B -1.770 -7.525 4.478 1.000 2 B 94.810 1 ATOM 2388 C CG . ARG 198 1119 ? B -0.423 -7.557 3.774 1.000 2 B 94.810 1 ATOM 2389 C CD . ARG 198 1119 ? B 0.612 -6.707 4.497 1.000 2 B 94.810 1 ATOM 2390 N NE . ARG 198 1119 ? B 1.026 -7.317 5.757 1.000 2 B 94.810 1 ATOM 2391 C CZ . ARG 198 1119 ? B 2.257 -7.262 6.258 1.000 2 B 94.810 1 ATOM 2392 N NH1 . ARG 198 1119 ? B 3.223 -6.619 5.612 1.000 2 B 94.810 1 ATOM 2393 N NH2 . ARG 198 1119 ? B 2.524 -7.853 7.413 1.000 2 B 94.810 1 ATOM 2394 N N . ILE 199 1120 ? B -1.829 -10.307 2.822 1.000 2 B 93.239 1 ATOM 2395 C CA . ILE 199 1120 ? B -1.271 -11.655 2.814 1.000 2 B 93.239 1 ATOM 2396 C C . ILE 199 1120 ? B 0.001 -11.692 3.657 1.000 2 B 93.239 1 ATOM 2397 O O . ILE 199 1120 ? B 0.938 -10.928 3.414 1.000 2 B 93.239 1 ATOM 2398 C CB . ILE 199 1120 ? B -0.975 -12.136 1.375 1.000 2 B 93.239 1 ATOM 2399 C CG1 . ILE 199 1120 ? B -2.259 -12.140 0.539 1.000 2 B 93.239 1 ATOM 2400 C CG2 . ILE 199 1120 ? B -0.327 -13.524 1.393 1.000 2 B 93.239 1 ATOM 2401 C CD1 . ILE 199 1120 ? B -2.035 -12.438 -0.937 1.000 2 B 93.239 1 ATOM 2402 N N . LYS 200 1121 ? B 0.020 -12.522 4.651 1.000 2 B 88.403 1 ATOM 2403 C CA . LYS 200 1121 ? B 1.161 -12.608 5.558 1.000 2 B 88.403 1 ATOM 2404 C C . LYS 200 1121 ? B 2.125 -13.710 5.126 1.000 2 B 88.403 1 ATOM 2405 O O . LYS 200 1121 ? B 1.726 -14.660 4.449 1.000 2 B 88.403 1 ATOM 2406 C CB . LYS 200 1121 ? B 0.690 -12.856 6.992 1.000 2 B 88.403 1 ATOM 2407 C CG . LYS 200 1121 ? B -0.216 -11.765 7.543 1.000 2 B 88.403 1 ATOM 2408 C CD . LYS 200 1121 ? B 0.569 -10.505 7.885 1.000 2 B 88.403 1 ATOM 2409 C CE . LYS 200 1121 ? B -0.305 -9.473 8.584 1.000 2 B 88.403 1 ATOM 2410 N NZ . LYS 200 1121 ? B 0.420 -8.184 8.794 1.000 2 B 88.403 1 ATOM 2411 N N . PRO 201 1122 ? B 3.452 -13.401 5.462 1.000 2 B 84.555 1 ATOM 2412 C CA . PRO 201 1122 ? B 4.423 -14.451 5.149 1.000 2 B 84.555 1 ATOM 2413 C C . PRO 201 1122 ? B 4.114 -15.770 5.854 1.000 2 B 84.555 1 ATOM 2414 O O . PRO 201 1122 ? B 3.631 -15.769 6.990 1.000 2 B 84.555 1 ATOM 2415 C CB . PRO 201 1122 ? B 5.748 -13.865 5.643 1.000 2 B 84.555 1 ATOM 2416 C CG . PRO 201 1122 ? B 5.500 -12.395 5.748 1.000 2 B 84.555 1 ATOM 2417 C CD . PRO 201 1122 ? B 4.031 -12.174 5.975 1.000 2 B 84.555 1 ATOM 2418 N N . ARG 202 1123 ? B 3.904 -16.823 5.152 1.000 2 B 74.868 1 ATOM 2419 C CA . ARG 202 1123 ? B 3.708 -18.124 5.783 1.000 2 B 74.868 1 ATOM 2420 C C . ARG 202 1123 ? B 4.809 -18.412 6.798 1.000 2 B 74.868 1 ATOM 2421 O O . ARG 202 1123 ? B 5.985 -18.146 6.540 1.000 2 B 74.868 1 ATOM 2422 C CB . ARG 202 1123 ? B 3.666 -19.232 4.728 1.000 2 B 74.868 1 ATOM 2423 C CG . ARG 202 1123 ? B 2.421 -19.204 3.855 1.000 2 B 74.868 1 ATOM 2424 C CD . ARG 202 1123 ? B 2.365 -20.400 2.915 1.000 2 B 74.868 1 ATOM 2425 N NE . ARG 202 1123 ? B 1.181 -21.219 3.155 1.000 2 B 74.868 1 ATOM 2426 C CZ . ARG 202 1123 ? B 0.805 -22.248 2.401 1.000 2 B 74.868 1 ATOM 2427 N NH1 . ARG 202 1123 ? B 1.517 -22.606 1.338 1.000 2 B 74.868 1 ATOM 2428 N NH2 . ARG 202 1123 ? B -0.290 -22.926 2.711 1.000 2 B 74.868 1 ATOM 2429 N N . GLN 203 1124 ? B 4.439 -18.368 8.165 1.000 2 B 59.081 1 ATOM 2430 C CA . GLN 203 1124 ? B 5.330 -18.793 9.240 1.000 2 B 59.081 1 ATOM 2431 C C . GLN 203 1124 ? B 5.890 -20.187 8.971 1.000 2 B 59.081 1 ATOM 2432 O O . GLN 203 1124 ? B 5.155 -21.089 8.565 1.000 2 B 59.081 1 ATOM 2433 C CB . GLN 203 1124 ? B 4.601 -18.770 10.584 1.000 2 B 59.081 1 ATOM 2434 C CG . GLN 203 1124 ? B 4.512 -17.386 11.212 1.000 2 B 59.081 1 ATOM 2435 C CD . GLN 203 1124 ? B 3.802 -17.394 12.553 1.000 2 B 59.081 1 ATOM 2436 O OE1 . GLN 203 1124 ? B 3.460 -18.456 13.082 1.000 2 B 59.081 1 ATOM 2437 N NE2 . GLN 203 1124 ? B 3.573 -16.210 13.110 1.000 2 B 59.081 1 ATOM 2438 N N . ARG 204 1125 ? B 6.992 -20.353 8.355 1.000 2 B 55.178 1 ATOM 2439 C CA . ARG 204 1125 ? B 7.730 -21.598 8.169 1.000 2 B 55.178 1 ATOM 2440 C C . ARG 204 1125 ? B 7.654 -22.471 9.417 1.000 2 B 55.178 1 ATOM 2441 O O . ARG 204 1125 ? B 8.078 -22.056 10.498 1.000 2 B 55.178 1 ATOM 2442 C CB . ARG 204 1125 ? B 9.191 -21.310 7.819 1.000 2 B 55.178 1 ATOM 2443 C CG . ARG 204 1125 ? B 9.387 -20.715 6.433 1.000 2 B 55.178 1 ATOM 2444 C CD . ARG 204 1125 ? B 10.859 -20.483 6.122 1.000 2 B 55.178 1 ATOM 2445 N NE . ARG 204 1125 ? B 11.040 -19.831 4.829 1.000 2 B 55.178 1 ATOM 2446 C CZ . ARG 204 1125 ? B 12.213 -19.447 4.331 1.000 2 B 55.178 1 ATOM 2447 N NH1 . ARG 204 1125 ? B 13.336 -19.643 5.012 1.000 2 B 55.178 1 ATOM 2448 N NH2 . ARG 204 1125 ? B 12.263 -18.862 3.143 1.000 2 B 55.178 1 ATOM 2449 N N . SER 205 1126 ? B 6.475 -22.922 9.928 1.000 2 B 45.179 1 ATOM 2450 C CA . SER 205 1126 ? B 6.632 -23.885 11.013 1.000 2 B 45.179 1 ATOM 2451 C C . SER 205 1126 ? B 7.661 -24.953 10.659 1.000 2 B 45.179 1 ATOM 2452 O O . SER 205 1126 ? B 7.670 -25.467 9.539 1.000 2 B 45.179 1 ATOM 2453 C CB . SER 205 1126 ? B 5.293 -24.545 11.342 1.000 2 B 45.179 1 ATOM 2454 O OG . SER 205 1126 ? B 4.893 -25.419 10.301 1.000 2 B 45.179 1 ATOM 2455 N N . LEU 206 1127 ? B 8.964 -24.640 10.800 1.000 2 B 44.292 1 ATOM 2456 C CA . LEU 206 1127 ? B 9.957 -25.709 10.815 1.000 2 B 44.292 1 ATOM 2457 C C . LEU 206 1127 ? B 9.345 -27.012 11.317 1.000 2 B 44.292 1 ATOM 2458 O O . LEU 206 1127 ? B 8.826 -27.069 12.434 1.000 2 B 44.292 1 ATOM 2459 C CB . LEU 206 1127 ? B 11.150 -25.320 11.693 1.000 2 B 44.292 1 ATOM 2460 C CG . LEU 206 1127 ? B 12.169 -24.366 11.069 1.000 2 B 44.292 1 ATOM 2461 C CD1 . LEU 206 1127 ? B 13.047 -23.746 12.151 1.000 2 B 44.292 1 ATOM 2462 C CD2 . LEU 206 1127 ? B 13.020 -25.094 10.034 1.000 2 B 44.292 1 ATOM 2463 N N . ALA 207 1128 ? B 8.334 -27.697 10.760 1.000 2 B 38.034 1 ATOM 2464 C CA . ALA 207 1128 ? B 8.305 -29.102 11.158 1.000 2 B 38.034 1 ATOM 2465 C C . ALA 207 1128 ? B 9.716 -29.676 11.251 1.000 2 B 38.034 1 ATOM 2466 O O . ALA 207 1128 ? B 10.576 -29.362 10.425 1.000 2 B 38.034 1 ATOM 2467 C CB . ALA 207 1128 ? B 7.466 -29.917 10.176 1.000 2 B 38.034 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-t3vr3-043 https://modelarchive.org/api/projects/ma-t3vr3-043?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-t3vr3-043_predicted_aligned_error_v1.cif cif 'local pairwise QA scores' 'Predicted aligned error and contact probability' . 2 1 O14654-D8_Q13625-D8.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 73.814 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 PRO 2 37.987 2 1 A 2 GLY 2 32.692 3 1 A 3 ILE 2 32.222 4 1 A 4 GLY 2 34.574 5 1 A 5 ALA 2 34.451 6 1 A 6 ALA 2 31.844 7 1 A 7 ALA 2 36.723 8 1 A 8 ALA 2 35.665 9 1 A 9 ALA 2 35.108 10 1 A 10 ALA 2 38.109 11 1 A 11 GLY 2 27.610 12 1 A 12 PHE 2 31.245 13 1 A 13 ASP 2 29.527 14 1 A 14 SER 2 38.675 15 1 A 15 ALA 2 30.139 16 1 A 16 SER 2 38.137 17 1 A 17 ALA 2 31.676 18 1 A 18 ARG 2 29.862 19 1 A 19 TRP 2 26.969 20 1 A 20 PHE 2 31.263 21 1 A 21 GLN 2 23.970 22 1 A 22 PRO 2 31.642 23 1 A 23 VAL 2 26.400 24 1 A 24 ALA 2 28.152 25 1 A 25 ASN 2 31.344 26 1 A 26 ALA 2 27.059 27 1 A 27 ALA 2 31.972 28 1 A 28 ASP 2 28.054 29 1 A 29 ALA 2 29.999 30 1 A 30 GLU 2 27.880 31 1 A 31 ALA 2 28.932 32 1 A 32 VAL 2 29.325 33 1 A 33 ARG 2 25.457 34 1 A 34 GLY 2 25.878 35 1 A 35 ALA 2 26.607 36 1 A 36 GLN 2 27.997 37 1 A 37 ASP 2 24.630 38 1 A 38 VAL 2 28.756 39 1 A 39 ALA 2 26.092 40 1 A 40 GLY 2 25.352 41 1 A 41 GLY 2 25.946 42 1 A 42 SER 2 26.247 43 1 A 43 ASN 2 30.414 44 1 A 44 PRO 2 29.669 45 1 A 45 GLY 2 24.633 46 1 A 46 ALA 2 28.532 47 1 A 47 HIS 2 25.697 48 1 A 48 ASN 2 28.501 49 1 A 49 PRO 2 31.798 50 1 A 50 SER 2 28.257 51 1 A 51 ALA 2 29.489 52 1 A 52 ASN 2 27.714 53 1 A 53 LEU 2 30.567 54 1 A 54 ALA 2 28.827 55 1 A 55 ARG 2 28.374 56 1 A 56 GLY 2 28.131 57 1 A 57 ASP 2 28.875 58 1 A 58 ASN 2 30.297 59 1 A 59 GLN 2 26.607 60 1 A 60 ALA 2 28.035 61 1 A 61 GLY 2 27.337 62 1 A 62 GLY 2 27.934 63 1 A 63 ALA 2 32.010 64 1 A 64 ALA 2 37.038 65 1 A 65 ALA 2 39.433 66 1 A 66 ALA 2 50.588 67 1 A 67 ALA 2 58.110 68 1 A 68 ALA 2 71.243 69 1 A 69 ALA 2 80.955 70 1 A 70 PRO 2 85.251 71 1 A 71 GLU 2 86.668 72 1 A 72 PRO 2 85.951 73 1 A 73 PRO 2 84.961 74 1 A 74 PRO 2 83.618 75 1 A 75 ARG 2 79.287 76 1 A 76 SER 2 70.577 77 1 A 77 ARG 2 60.384 78 1 A 78 ARG 2 57.527 79 1 A 79 VAL 2 48.776 80 1 A 80 PRO 2 42.399 81 1 A 81 ARG 2 38.727 82 1 A 82 PRO 2 37.868 83 1 A 83 PRO 2 39.816 84 1 A 84 GLU 2 35.005 85 1 A 85 ARG 2 38.660 86 1 A 86 GLU 2 31.019 87 1 A 87 ASP 2 34.247 88 1 A 88 SER 2 31.150 89 1 A 89 ASP 2 32.055 90 1 A 90 ASN 2 33.245 91 1 A 91 ASP 2 35.359 92 1 A 92 ASP 2 34.075 93 1 A 93 ASP 2 36.674 94 1 A 94 THR 2 35.643 95 1 A 95 HIS 2 33.980 96 1 A 96 VAL 2 31.963 97 1 A 97 ARG 2 39.466 98 1 A 98 MET 2 32.661 99 1 A 99 ASP 2 34.163 100 1 A 100 PHE 2 35.267 101 1 A 101 ALA 2 36.222 102 1 A 102 ARG 2 32.969 103 1 A 103 ARG 2 33.926 104 1 A 104 ASP 2 35.968 105 1 A 105 ASN 2 34.435 106 1 A 106 GLN 2 32.821 107 1 A 107 PHE 2 34.494 108 1 A 108 ASP 2 37.459 109 1 A 109 SER 2 40.453 110 1 A 110 PRO 2 41.108 111 1 A 111 LYS 2 40.404 112 1 A 112 ARG 2 36.686 113 1 A 113 GLY 2 36.887 114 1 A 114 ARG 2 37.670 115 1 B 1 VAL 2 68.329 116 1 B 2 LYS 2 79.778 117 1 B 3 PHE 2 86.682 118 1 B 4 ASN 2 93.414 119 1 B 5 PRO 2 96.248 120 1 B 6 LEU 2 96.404 121 1 B 7 ALA 2 96.430 122 1 B 8 LEU 2 97.065 123 1 B 9 LEU 2 98.189 124 1 B 10 LEU 2 97.989 125 1 B 11 ASP 2 97.645 126 1 B 12 SER 2 98.276 127 1 B 13 SER 2 98.499 128 1 B 14 LEU 2 98.117 129 1 B 15 GLU 2 98.333 130 1 B 16 GLY 2 98.115 131 1 B 17 GLU 2 98.308 132 1 B 18 PHE 2 98.383 133 1 B 19 ASP 2 97.933 134 1 B 20 LEU 2 97.769 135 1 B 21 VAL 2 98.303 136 1 B 22 GLN 2 97.588 137 1 B 23 ARG 2 96.598 138 1 B 24 ILE 2 96.307 139 1 B 25 ILE 2 95.893 140 1 B 26 TYR 2 94.663 141 1 B 27 GLU 2 95.175 142 1 B 28 VAL 2 94.743 143 1 B 29 ASP 2 92.101 144 1 B 30 ASP 2 93.728 145 1 B 31 PRO 2 95.520 146 1 B 32 SER 2 96.311 147 1 B 33 LEU 2 96.078 148 1 B 34 PRO 2 95.976 149 1 B 35 ASN 2 93.995 150 1 B 36 ASP 2 91.111 151 1 B 37 GLU 2 89.937 152 1 B 38 GLY 2 92.927 153 1 B 39 ILE 2 96.576 154 1 B 40 THR 2 98.000 155 1 B 41 ALA 2 98.170 156 1 B 42 LEU 2 98.478 157 1 B 43 HIS 2 98.379 158 1 B 44 ASN 2 98.372 159 1 B 45 ALA 2 98.659 160 1 B 46 VAL 2 98.539 161 1 B 47 CYS 2 97.715 162 1 B 48 ALA 2 98.029 163 1 B 49 GLY 2 97.229 164 1 B 50 HIS 2 98.283 165 1 B 51 THR 2 97.809 166 1 B 52 GLU 2 98.042 167 1 B 53 ILE 2 98.574 168 1 B 54 VAL 2 98.496 169 1 B 55 LYS 2 98.183 170 1 B 56 PHE 2 97.981 171 1 B 57 LEU 2 98.086 172 1 B 58 VAL 2 97.729 173 1 B 59 GLN 2 96.339 174 1 B 60 PHE 2 96.019 175 1 B 61 GLY 2 95.367 176 1 B 62 VAL 2 96.787 177 1 B 63 ASN 2 96.579 178 1 B 64 VAL 2 97.619 179 1 B 65 ASN 2 97.515 180 1 B 66 ALA 2 96.272 181 1 B 67 ALA 2 95.418 182 1 B 68 ASP 2 94.948 183 1 B 69 SER 2 93.312 184 1 B 70 ASP 2 94.156 185 1 B 71 GLY 2 94.831 186 1 B 72 TRP 2 97.100 187 1 B 73 THR 2 97.803 188 1 B 74 PRO 2 98.343 189 1 B 75 LEU 2 98.609 190 1 B 76 HIS 2 98.408 191 1 B 77 CYS 2 98.082 192 1 B 78 ALA 2 98.481 193 1 B 79 ALA 2 98.432 194 1 B 80 SER 2 97.699 195 1 B 81 CYS 2 97.694 196 1 B 82 ASN 2 98.312 197 1 B 83 ASN 2 97.854 198 1 B 84 VAL 2 97.985 199 1 B 85 GLN 2 97.908 200 1 B 86 VAL 2 98.328 201 1 B 87 CYS 2 98.416 202 1 B 88 LYS 2 98.310 203 1 B 89 PHE 2 98.386 204 1 B 90 LEU 2 98.549 205 1 B 91 VAL 2 98.075 206 1 B 92 GLU 2 97.429 207 1 B 93 SER 2 97.745 208 1 B 94 GLY 2 97.164 209 1 B 95 ALA 2 98.023 210 1 B 96 ALA 2 97.589 211 1 B 97 VAL 2 97.274 212 1 B 98 PHE 2 96.942 213 1 B 99 ALA 2 95.760 214 1 B 100 MET 2 95.806 215 1 B 101 THR 2 95.054 216 1 B 102 TYR 2 93.859 217 1 B 103 SER 2 91.344 218 1 B 104 ASP 2 92.585 219 1 B 105 MET 2 94.329 220 1 B 106 GLN 2 96.250 221 1 B 107 THR 2 97.505 222 1 B 108 ALA 2 97.878 223 1 B 109 ALA 2 97.869 224 1 B 110 ASP 2 97.585 225 1 B 111 LYS 2 96.912 226 1 B 112 CYS 2 97.379 227 1 B 113 GLU 2 95.094 228 1 B 114 GLU 2 95.126 229 1 B 115 MET 2 94.842 230 1 B 116 GLU 2 94.218 231 1 B 117 GLU 2 95.241 232 1 B 118 GLY 2 96.006 233 1 B 119 TYR 2 97.737 234 1 B 120 THR 2 97.418 235 1 B 121 GLN 2 97.914 236 1 B 122 CYS 2 98.149 237 1 B 123 SER 2 97.945 238 1 B 124 GLN 2 98.137 239 1 B 125 PHE 2 98.363 240 1 B 126 LEU 2 98.439 241 1 B 127 TYR 2 98.218 242 1 B 128 GLY 2 97.624 243 1 B 129 VAL 2 96.862 244 1 B 130 GLN 2 96.097 245 1 B 131 GLU 2 94.920 246 1 B 132 LYS 2 94.427 247 1 B 133 MET 2 93.822 248 1 B 134 GLY 2 90.855 249 1 B 135 ILE 2 92.864 250 1 B 136 MET 2 89.152 251 1 B 137 ASN 2 89.362 252 1 B 138 LYS 2 90.877 253 1 B 139 GLY 2 92.085 254 1 B 140 VAL 2 96.191 255 1 B 141 ILE 2 97.003 256 1 B 142 TYR 2 97.549 257 1 B 143 ALA 2 97.439 258 1 B 144 LEU 2 97.160 259 1 B 145 TRP 2 96.444 260 1 B 146 ASP 2 96.758 261 1 B 147 TYR 2 96.168 262 1 B 148 GLU 2 95.539 263 1 B 149 PRO 2 94.277 264 1 B 150 GLN 2 92.340 265 1 B 151 ASN 2 92.208 266 1 B 152 ASP 2 92.509 267 1 B 153 ASP 2 92.621 268 1 B 154 GLU 2 94.964 269 1 B 155 LEU 2 95.637 270 1 B 156 PRO 2 96.240 271 1 B 157 MET 2 96.485 272 1 B 158 LYS 2 96.909 273 1 B 159 GLU 2 95.530 274 1 B 160 GLY 2 95.318 275 1 B 161 ASP 2 96.835 276 1 B 162 CYS 2 96.345 277 1 B 163 MET 2 96.659 278 1 B 164 THR 2 97.026 279 1 B 165 ILE 2 96.178 280 1 B 166 ILE 2 94.548 281 1 B 167 HIS 2 91.619 282 1 B 168 ARG 2 89.848 283 1 B 169 GLU 2 81.410 284 1 B 170 ASP 2 75.826 285 1 B 171 GLU 2 75.880 286 1 B 172 ASP 2 79.220 287 1 B 173 GLU 2 83.676 288 1 B 174 ILE 2 88.198 289 1 B 175 GLU 2 91.843 290 1 B 176 TRP 2 94.375 291 1 B 177 TRP 2 95.259 292 1 B 178 TRP 2 95.135 293 1 B 179 ALA 2 96.496 294 1 B 180 ARG 2 97.048 295 1 B 181 LEU 2 95.905 296 1 B 182 ASN 2 92.622 297 1 B 183 ASP 2 92.927 298 1 B 184 LYS 2 95.930 299 1 B 185 GLU 2 96.710 300 1 B 186 GLY 2 95.439 301 1 B 187 TYR 2 95.494 302 1 B 188 VAL 2 95.731 303 1 B 189 PRO 2 95.659 304 1 B 190 ARG 2 95.568 305 1 B 191 ASN 2 95.698 306 1 B 192 LEU 2 96.617 307 1 B 193 LEU 2 96.791 308 1 B 194 GLY 2 96.758 309 1 B 195 LEU 2 96.421 310 1 B 196 TYR 2 96.547 311 1 B 197 PRO 2 95.902 312 1 B 198 ARG 2 94.810 313 1 B 199 ILE 2 93.239 314 1 B 200 LYS 2 88.403 315 1 B 201 PRO 2 84.555 316 1 B 202 ARG 2 74.868 317 1 B 203 GLN 2 59.081 318 1 B 204 ARG 2 55.178 319 1 B 205 SER 2 45.179 320 1 B 206 LEU 2 44.292 321 1 B 207 ALA 2 38.034 _database_2.database_id ModelArchive _database_2.database_code ma-t3vr3-043 _database_2.pdbx_DOI 10.5452/ma-t3vr3-043 _pdbx_database_status.entry_id ma-t3vr3-043 _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'