# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_spkb24543 # _entry.id spkb24543 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n SER 2 1 n HIS 3 1 n GLN 4 1 n ARG 5 1 n ILE 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n MET 11 1 n ALA 12 1 n ALA 13 1 n PHE 14 1 n PHE 15 1 n ALA 16 1 n TRP 17 1 n VAL 18 1 n SER 19 1 n ALA 20 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.0 @ 2025-07-03 23:49:26)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 95.37 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 85.33 1 1 A SER 2 2 94.11 1 2 A HIS 3 2 90.06 1 3 A GLN 4 2 92.59 1 4 A ARG 5 2 91.05 1 5 A ILE 6 2 97.56 1 6 A LEU 7 2 97.51 1 7 A LEU 8 2 97.33 1 8 A LEU 9 2 97.48 1 9 A LEU 10 2 97.59 1 10 A MET 11 2 95.59 1 11 A ALA 12 2 98.81 1 12 A ALA 13 2 98.84 1 13 A PHE 14 2 97.89 1 14 A PHE 15 2 96.25 1 15 A ALA 16 2 98.84 1 16 A TRP 17 2 97.35 1 17 A VAL 18 2 97.96 1 18 A SER 19 2 96.45 1 19 A ALA 20 2 92.93 1 20 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n SER . 2 A 2 A 3 1 n HIS . 3 A 3 A 4 1 n GLN . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n MET . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n TRP . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n ALA . 20 A 20 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? -14.265 1.470 9.528 1.00 91.82 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.988 1.240 8.833 1.00 92.20 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.169 0.282 7.669 1.00 93.45 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.930 -0.675 7.766 1.00 91.45 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.959 0.664 9.796 1.00 87.92 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.177 1.745 10.511 1.00 81.38 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.970 1.037 11.629 1.00 77.02 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.223 2.521 12.266 1.00 67.40 1 A 1 ATOM 9 N N . SER A 1 2 ? -12.479 0.546 6.591 1.00 95.45 2 A 1 ATOM 10 C CA . SER A 1 2 ? -12.562 -0.285 5.402 1.00 96.61 2 A 1 ATOM 11 C C . SER A 1 2 ? -11.192 -0.857 5.048 1.00 97.36 2 A 1 ATOM 12 O O . SER A 1 2 ? -10.188 -0.515 5.674 1.00 96.39 2 A 1 ATOM 13 C CB . SER A 1 2 ? -13.099 0.539 4.243 1.00 94.50 2 A 1 ATOM 14 O OG . SER A 1 2 ? -14.130 -0.141 3.568 1.00 84.32 2 A 1 ATOM 15 N N . HIS A 1 3 ? -11.178 -1.723 4.029 1.00 97.26 3 A 1 ATOM 16 C CA . HIS A 1 3 ? -9.934 -2.346 3.587 1.00 97.81 3 A 1 ATOM 17 C C . HIS A 1 3 ? -9.016 -1.320 2.926 1.00 98.29 3 A 1 ATOM 18 O O . HIS A 1 3 ? -7.815 -1.551 2.786 1.00 97.80 3 A 1 ATOM 19 C CB . HIS A 1 3 ? -10.257 -3.467 2.603 1.00 96.61 3 A 1 ATOM 20 C CG . HIS A 1 3 ? -9.253 -4.577 2.638 1.00 92.28 3 A 1 ATOM 21 N ND1 . HIS A 1 3 ? -8.796 -5.144 3.804 1.00 81.38 3 A 1 ATOM 22 C CD2 . HIS A 1 3 ? -8.633 -5.217 1.614 1.00 77.95 3 A 1 ATOM 23 C CE1 . HIS A 1 3 ? -7.929 -6.091 3.498 1.00 80.63 3 A 1 ATOM 24 N NE2 . HIS A 1 3 ? -7.814 -6.161 2.173 1.00 80.59 3 A 1 ATOM 25 N N . GLN A 1 4 ? -9.578 -0.196 2.521 1.00 98.14 4 A 1 ATOM 26 C CA . GLN A 1 4 ? -8.818 0.877 1.874 1.00 98.44 4 A 1 ATOM 27 C C . GLN A 1 4 ? -7.778 1.468 2.814 1.00 98.68 4 A 1 ATOM 28 O O . GLN A 1 4 ? -6.751 1.976 2.370 1.00 98.49 4 A 1 ATOM 29 C CB . GLN A 1 4 ? -9.782 1.965 1.394 1.00 98.05 4 A 1 ATOM 30 C CG . GLN A 1 4 ? -10.258 1.702 -0.027 1.00 93.34 4 A 1 ATOM 31 C CD . GLN A 1 4 ? -9.756 2.776 -0.974 1.00 88.77 4 A 1 ATOM 32 O OE1 . GLN A 1 4 ? -10.340 3.852 -1.060 1.00 80.48 4 A 1 ATOM 33 N NE2 . GLN A 1 4 ? -8.675 2.508 -1.667 1.00 78.90 4 A 1 ATOM 34 N N . ARG A 1 5 ? -8.036 1.409 4.102 1.00 98.33 5 A 1 ATOM 35 C CA . ARG A 1 5 ? -7.102 1.940 5.099 1.00 98.57 5 A 1 ATOM 36 C C . ARG A 1 5 ? -5.768 1.203 5.024 1.00 98.75 5 A 1 ATOM 37 O O . ARG A 1 5 ? -4.702 1.825 5.059 1.00 98.61 5 A 1 ATOM 38 C CB . ARG A 1 5 ? -7.717 1.803 6.500 1.00 98.32 5 A 1 ATOM 39 C CG . ARG A 1 5 ? -8.223 3.129 7.028 1.00 95.18 5 A 1 ATOM 40 C CD . ARG A 1 5 ? -7.246 3.725 8.018 1.00 91.49 5 A 1 ATOM 41 N NE . ARG A 1 5 ? -6.436 4.786 7.439 1.00 86.21 5 A 1 ATOM 42 C CZ . ARG A 1 5 ? -6.821 6.056 7.354 1.00 82.65 5 A 1 ATOM 43 N NH1 . ARG A 1 5 ? -8.001 6.441 7.794 1.00 77.73 5 A 1 ATOM 44 N NH2 . ARG A 1 5 ? -6.016 6.945 6.813 1.00 75.68 5 A 1 ATOM 45 N N . ILE A 1 6 ? -5.830 -0.110 4.899 1.00 98.68 6 A 1 ATOM 46 C CA . ILE A 1 6 ? -4.624 -0.928 4.811 1.00 98.67 6 A 1 ATOM 47 C C . ILE A 1 6 ? -3.889 -0.647 3.503 1.00 98.74 6 A 1 ATOM 48 O O . ILE A 1 6 ? -2.655 -0.648 3.463 1.00 98.67 6 A 1 ATOM 49 C CB . ILE A 1 6 ? -4.974 -2.424 4.936 1.00 98.54 6 A 1 ATOM 50 C CG1 . ILE A 1 6 ? -5.634 -2.708 6.284 1.00 97.29 6 A 1 ATOM 51 C CG2 . ILE A 1 6 ? -3.716 -3.281 4.780 1.00 96.91 6 A 1 ATOM 52 C CD1 . ILE A 1 6 ? -6.446 -3.983 6.292 1.00 93.00 6 A 1 ATOM 53 N N . LEU A 1 7 ? -4.646 -0.398 2.451 1.00 98.73 7 A 1 ATOM 54 C CA . LEU A 1 7 ? -4.055 -0.097 1.148 1.00 98.75 7 A 1 ATOM 55 C C . LEU A 1 7 ? -3.252 1.197 1.207 1.00 98.79 7 A 1 ATOM 56 O O . LEU A 1 7 ? -2.179 1.297 0.606 1.00 98.73 7 A 1 ATOM 57 C CB . LEU A 1 7 ? -5.158 0.016 0.092 1.00 98.66 7 A 1 ATOM 58 C CG . LEU A 1 7 ? -5.680 -1.324 -0.405 1.00 96.67 7 A 1 ATOM 59 C CD1 . LEU A 1 7 ? -7.027 -1.148 -1.082 1.00 94.82 7 A 1 ATOM 60 C CD2 . LEU A 1 7 ? -4.688 -1.949 -1.381 1.00 94.92 7 A 1 ATOM 61 N N . LEU A 1 8 ? -3.769 2.170 1.927 1.00 98.74 8 A 1 ATOM 62 C CA . LEU A 1 8 ? -3.086 3.454 2.075 1.00 98.75 8 A 1 ATOM 63 C C . LEU A 1 8 ? -1.782 3.282 2.843 1.00 98.79 8 A 1 ATOM 64 O O . LEU A 1 8 ? -0.774 3.911 2.515 1.00 98.73 8 A 1 ATOM 65 C CB . LEU A 1 8 ? -4.005 4.441 2.795 1.00 98.66 8 A 1 ATOM 66 C CG . LEU A 1 8 ? -4.995 5.146 1.871 1.00 96.47 8 A 1 ATOM 67 C CD1 . LEU A 1 8 ? -6.172 5.682 2.664 1.00 94.29 8 A 1 ATOM 68 C CD2 . LEU A 1 8 ? -4.304 6.282 1.131 1.00 94.23 8 A 1 ATOM 69 N N . LEU A 1 9 ? -1.801 2.441 3.848 1.00 98.79 9 A 1 ATOM 70 C CA . LEU A 1 9 ? -0.608 2.187 4.651 1.00 98.78 9 A 1 ATOM 71 C C . LEU A 1 9 ? 0.456 1.474 3.825 1.00 98.82 9 A 1 ATOM 72 O O . LEU A 1 9 ? 1.643 1.807 3.912 1.00 98.76 9 A 1 ATOM 73 C CB . LEU A 1 9 ? -0.981 1.348 5.874 1.00 98.67 9 A 1 ATOM 74 C CG . LEU A 1 9 ? -1.673 2.138 6.983 1.00 96.63 9 A 1 ATOM 75 C CD1 . LEU A 1 9 ? -2.475 1.215 7.880 1.00 94.60 9 A 1 ATOM 76 C CD2 . LEU A 1 9 ? -0.642 2.900 7.807 1.00 94.82 9 A 1 ATOM 77 N N . LEU A 1 10 ? 0.030 0.518 3.018 1.00 98.75 10 A 1 ATOM 78 C CA . LEU A 1 10 ? 0.956 -0.229 2.170 1.00 98.75 10 A 1 ATOM 79 C C . LEU A 1 10 ? 1.549 0.671 1.093 1.00 98.79 10 A 1 ATOM 80 O O . LEU A 1 10 ? 2.746 0.597 0.801 1.00 98.73 10 A 1 ATOM 81 C CB . LEU A 1 10 ? 0.222 -1.411 1.532 1.00 98.66 10 A 1 ATOM 82 C CG . LEU A 1 10 ? 0.097 -2.630 2.438 1.00 96.76 10 A 1 ATOM 83 C CD1 . LEU A 1 10 ? -1.066 -3.505 1.993 1.00 94.88 10 A 1 ATOM 84 C CD2 . LEU A 1 10 ? 1.386 -3.435 2.425 1.00 95.36 10 A 1 ATOM 85 N N . MET A 1 11 ? 0.718 1.517 0.518 1.00 98.71 11 A 1 ATOM 86 C CA . MET A 1 11 ? 1.169 2.437 -0.524 1.00 98.73 11 A 1 ATOM 87 C C . MET A 1 11 ? 2.143 3.466 0.053 1.00 98.79 11 A 1 ATOM 88 O O . MET A 1 11 ? 3.140 3.808 -0.579 1.00 98.71 11 A 1 ATOM 89 C CB . MET A 1 11 ? -0.034 3.144 -1.148 1.00 98.59 11 A 1 ATOM 90 C CG . MET A 1 11 ? 0.258 3.582 -2.570 1.00 96.84 11 A 1 ATOM 91 S SD . MET A 1 11 ? -0.954 2.975 -3.741 1.00 90.45 11 A 1 ATOM 92 C CE . MET A 1 11 ? -2.066 4.382 -3.790 1.00 83.94 11 A 1 ATOM 93 N N . ALA A 1 12 ? 1.843 3.951 1.239 1.00 98.81 12 A 1 ATOM 94 C CA . ALA A 1 12 ? 2.702 4.930 1.899 1.00 98.84 12 A 1 ATOM 95 C C . ALA A 1 12 ? 4.064 4.323 2.227 1.00 98.88 12 A 1 ATOM 96 O O . ALA A 1 12 ? 5.095 4.973 2.051 1.00 98.79 12 A 1 ATOM 97 C CB . ALA A 1 12 ? 2.028 5.432 3.171 1.00 98.72 12 A 1 ATOM 98 N N . ALA A 1 13 ? 4.063 3.091 2.697 1.00 98.88 13 A 1 ATOM 99 C CA . ALA A 1 13 ? 5.305 2.401 3.038 1.00 98.87 13 A 1 ATOM 100 C C . ALA A 1 13 ? 6.146 2.146 1.790 1.00 98.89 13 A 1 ATOM 101 O O . ALA A 1 13 ? 7.362 2.343 1.806 1.00 98.78 13 A 1 ATOM 102 C CB . ALA A 1 13 ? 4.985 1.093 3.746 1.00 98.77 13 A 1 ATOM 103 N N . PHE A 1 14 ? 5.501 1.719 0.718 1.00 98.88 14 A 1 ATOM 104 C CA . PHE A 1 14 ? 6.183 1.456 -0.547 1.00 98.88 14 A 1 ATOM 105 C C . PHE A 1 14 ? 6.761 2.743 -1.130 1.00 98.89 14 A 1 ATOM 106 O O . PHE A 1 14 ? 7.908 2.772 -1.578 1.00 98.82 14 A 1 ATOM 107 C CB . PHE A 1 14 ? 5.204 0.820 -1.529 1.00 98.80 14 A 1 ATOM 108 C CG . PHE A 1 14 ? 5.849 0.489 -2.851 1.00 98.35 14 A 1 ATOM 109 C CD1 . PHE A 1 14 ? 6.757 -0.552 -2.947 1.00 97.23 14 A 1 ATOM 110 C CD2 . PHE A 1 14 ? 5.539 1.224 -3.983 1.00 97.43 14 A 1 ATOM 111 C CE1 . PHE A 1 14 ? 7.354 -0.854 -4.160 1.00 96.43 14 A 1 ATOM 112 C CE2 . PHE A 1 14 ? 6.136 0.925 -5.198 1.00 96.47 14 A 1 ATOM 113 C CZ . PHE A 1 14 ? 7.046 -0.114 -5.287 1.00 96.66 14 A 1 ATOM 114 N N . PHE A 1 15 ? 5.962 3.794 -1.128 1.00 98.86 15 A 1 ATOM 115 C CA . PHE A 1 15 ? 6.395 5.084 -1.651 1.00 98.84 15 A 1 ATOM 116 C C . PHE A 1 15 ? 7.556 5.641 -0.830 1.00 98.85 15 A 1 ATOM 117 O O . PHE A 1 15 ? 8.498 6.210 -1.384 1.00 98.69 15 A 1 ATOM 118 C CB . PHE A 1 15 ? 5.219 6.061 -1.638 1.00 98.68 15 A 1 ATOM 119 C CG . PHE A 1 15 ? 5.408 7.200 -2.601 1.00 96.64 15 A 1 ATOM 120 C CD1 . PHE A 1 15 ? 5.347 6.989 -3.968 1.00 94.04 15 A 1 ATOM 121 C CD2 . PHE A 1 15 ? 5.647 8.484 -2.128 1.00 94.82 15 A 1 ATOM 122 C CE1 . PHE A 1 15 ? 5.522 8.042 -4.853 1.00 93.09 15 A 1 ATOM 123 C CE2 . PHE A 1 15 ? 5.825 9.537 -3.010 1.00 93.12 15 A 1 ATOM 124 C CZ . PHE A 1 15 ? 5.764 9.316 -4.374 1.00 93.10 15 A 1 ATOM 125 N N . ALA A 1 16 ? 7.483 5.483 0.481 1.00 98.90 16 A 1 ATOM 126 C CA . ALA A 1 16 ? 8.543 5.956 1.371 1.00 98.88 16 A 1 ATOM 127 C C . ALA A 1 16 ? 9.843 5.199 1.116 1.00 98.89 16 A 1 ATOM 128 O O . ALA A 1 16 ? 10.924 5.788 1.158 1.00 98.75 16 A 1 ATOM 129 C CB . ALA A 1 16 ? 8.111 5.792 2.822 1.00 98.78 16 A 1 ATOM 130 N N . TRP A 1 17 ? 9.740 3.903 0.853 1.00 98.86 17 A 1 ATOM 131 C CA . TRP A 1 17 ? 10.910 3.072 0.578 1.00 98.84 17 A 1 ATOM 132 C C . TRP A 1 17 ? 11.586 3.480 -0.725 1.00 98.85 17 A 1 ATOM 133 O O . TRP A 1 17 ? 12.813 3.590 -0.783 1.00 98.74 17 A 1 ATOM 134 C CB . TRP A 1 17 ? 10.495 1.602 0.524 1.00 98.74 17 A 1 ATOM 135 C CG . TRP A 1 17 ? 11.572 0.711 -0.016 1.00 98.31 17 A 1 ATOM 136 C CD1 . TRP A 1 17 ? 11.556 0.067 -1.216 1.00 97.03 17 A 1 ATOM 137 C CD2 . TRP A 1 17 ? 12.825 0.390 0.600 1.00 97.49 17 A 1 ATOM 138 N NE1 . TRP A 1 17 ? 12.722 -0.644 -1.378 1.00 96.21 17 A 1 ATOM 139 C CE2 . TRP A 1 17 ? 13.525 -0.465 -0.281 1.00 97.10 17 A 1 ATOM 140 C CE3 . TRP A 1 17 ? 13.427 0.742 1.813 1.00 96.78 17 A 1 ATOM 141 C CZ2 . TRP A 1 17 ? 14.789 -0.967 0.023 1.00 96.56 17 A 1 ATOM 142 C CZ3 . TRP A 1 17 ? 14.685 0.240 2.114 1.00 94.82 17 A 1 ATOM 143 C CH2 . TRP A 1 17 ? 15.355 -0.605 1.223 1.00 94.60 17 A 1 ATOM 144 N N . VAL A 1 18 ? 10.788 3.705 -1.763 1.00 98.82 18 A 1 ATOM 145 C CA . VAL A 1 18 ? 11.315 4.102 -3.068 1.00 98.74 18 A 1 ATOM 146 C C . VAL A 1 18 ? 11.865 5.526 -3.030 1.00 98.75 18 A 1 ATOM 147 O O . VAL A 1 18 ? 12.805 5.854 -3.761 1.00 98.44 18 A 1 ATOM 148 C CB . VAL A 1 18 ? 10.224 3.968 -4.148 1.00 98.36 18 A 1 ATOM 149 C CG1 . VAL A 1 18 ? 10.760 4.370 -5.510 1.00 96.10 18 A 1 ATOM 150 C CG2 . VAL A 1 18 ? 9.700 2.546 -4.204 1.00 96.51 18 A 1 ATOM 151 N N . SER A 1 19 ? 11.290 6.357 -2.200 1.00 98.62 19 A 1 ATOM 152 C CA . SER A 1 19 ? 11.702 7.751 -2.077 1.00 98.49 19 A 1 ATOM 153 C C . SER A 1 19 ? 12.920 7.908 -1.167 1.00 98.34 19 A 1 ATOM 154 O O . SER A 1 19 ? 13.546 8.969 -1.154 1.00 96.55 19 A 1 ATOM 155 C CB . SER A 1 19 ? 10.541 8.590 -1.541 1.00 97.81 19 A 1 ATOM 156 O OG . SER A 1 19 ? 10.589 9.902 -2.047 1.00 88.88 19 A 1 ATOM 157 N N . ALA A 1 20 ? 13.245 6.872 -0.418 1.00 97.40 20 A 1 ATOM 158 C CA . ALA A 1 20 ? 14.361 6.915 0.526 1.00 96.35 20 A 1 ATOM 159 C C . ALA A 1 20 ? 15.696 6.842 -0.219 1.00 95.05 20 A 1 ATOM 160 O O . ALA A 1 20 ? 16.636 7.556 0.163 1.00 90.41 20 A 1 ATOM 161 C CB . ALA A 1 20 ? 14.232 5.783 1.540 1.00 93.75 20 A 1 ATOM 162 O OXT . ALA A 1 20 ? 15.821 6.064 -1.162 1.00 84.60 20 A 1 #