# 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_spkb37863 # _entry.id spkb37863 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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 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" "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 ALA 2 1 n SER 3 1 n ASP 4 1 n HIS 5 1 n ARG 6 1 n ARG 7 1 n PHE 8 1 n VAL 9 1 n LEU 10 1 n SER 11 1 n GLY 12 1 n ALA 13 1 n VAL 14 1 n LEU 15 1 n LEU 16 1 n SER 17 1 n VAL 18 1 n LEU 19 1 n ALA 20 1 n VAL 21 # _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 @ 2025-07-09 12:39:41)" _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 92.17 _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 82.33 1 1 A ALA 2 2 90.01 1 2 A SER 3 2 90.65 1 3 A ASP 4 2 90.09 1 4 A HIS 5 2 88.96 1 5 A ARG 6 2 87.74 1 6 A ARG 7 2 87.32 1 7 A PHE 8 2 93.02 1 8 A VAL 9 2 95.97 1 9 A LEU 10 2 94.76 1 10 A SER 11 2 93.93 1 11 A GLY 12 2 96.78 1 12 A ALA 13 2 97.04 1 13 A VAL 14 2 96.45 1 14 A LEU 15 2 94.60 1 15 A LEU 16 2 94.70 1 16 A SER 17 2 96.18 1 17 A VAL 18 2 96.85 1 18 A LEU 19 2 94.82 1 19 A ALA 20 2 96.85 1 20 A VAL 21 2 88.29 1 21 # _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 ALA . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n ASP . 4 A 4 A 5 1 n HIS . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n VAL . 21 A 21 # _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 ? -15.065 2.161 1.933 1.00 87.56 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.539 2.155 3.316 1.00 89.32 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.278 3.013 3.359 1.00 90.14 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.308 2.693 2.682 1.00 87.33 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.245 0.724 3.757 1.00 84.98 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.536 -0.064 4.003 1.00 78.84 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.233 -1.836 4.154 1.00 74.65 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.849 -2.383 4.695 1.00 65.82 1 A 1 ATOM 9 N N . ALA A 1 2 ? -13.294 4.114 4.102 1.00 87.83 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -12.156 5.041 4.174 1.00 90.99 2 A 1 ATOM 11 C C . ALA A 1 2 ? -10.882 4.378 4.733 1.00 92.86 2 A 1 ATOM 12 O O . ALA A 1 2 ? -9.771 4.809 4.432 1.00 90.71 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -12.579 6.237 5.031 1.00 87.67 2 A 1 ATOM 14 N N . SER A 1 3 ? -11.038 3.306 5.510 1.00 92.31 3 A 1 ATOM 15 C CA . SER A 1 3 ? -9.926 2.534 6.080 1.00 93.41 3 A 1 ATOM 16 C C . SER A 1 3 ? -9.112 1.800 5.006 1.00 94.52 3 A 1 ATOM 17 O O . SER A 1 3 ? -7.893 1.693 5.122 1.00 92.93 3 A 1 ATOM 18 C CB . SER A 1 3 ? -10.484 1.546 7.099 1.00 90.25 3 A 1 ATOM 19 O OG . SER A 1 3 ? -9.456 1.089 7.945 1.00 80.49 3 A 1 ATOM 20 N N . ASP A 1 4 ? -9.761 1.337 3.922 1.00 92.92 4 A 1 ATOM 21 C CA . ASP A 1 4 ? -9.082 0.659 2.814 1.00 94.57 4 A 1 ATOM 22 C C . ASP A 1 4 ? -8.192 1.627 2.033 1.00 95.95 4 A 1 ATOM 23 O O . ASP A 1 4 ? -7.072 1.281 1.656 1.00 95.00 4 A 1 ATOM 24 C CB . ASP A 1 4 ? -10.119 0.012 1.896 1.00 92.23 4 A 1 ATOM 25 C CG . ASP A 1 4 ? -10.839 -1.113 2.619 1.00 86.27 4 A 1 ATOM 26 O OD1 . ASP A 1 4 ? -10.176 -2.131 2.895 1.00 82.49 4 A 1 ATOM 27 O OD2 . ASP A 1 4 ? -12.028 -0.932 2.927 1.00 81.29 4 A 1 ATOM 28 N N . HIS A 1 5 ? -8.652 2.872 1.847 1.00 95.71 5 A 1 ATOM 29 C CA . HIS A 1 5 ? -7.857 3.927 1.216 1.00 96.43 5 A 1 ATOM 30 C C . HIS A 1 5 ? -6.598 4.226 2.032 1.00 97.14 5 A 1 ATOM 31 O O . HIS A 1 5 ? -5.508 4.373 1.477 1.00 96.23 5 A 1 ATOM 32 C CB . HIS A 1 5 ? -8.719 5.188 1.056 1.00 95.18 5 A 1 ATOM 33 C CG . HIS A 1 5 ? -8.882 5.576 -0.381 1.00 90.49 5 A 1 ATOM 34 N ND1 . HIS A 1 5 ? -10.034 5.436 -1.114 1.00 79.18 5 A 1 ATOM 35 C CD2 . HIS A 1 5 ? -7.951 6.124 -1.218 1.00 77.81 5 A 1 ATOM 36 C CE1 . HIS A 1 5 ? -9.807 5.890 -2.353 1.00 79.93 5 A 1 ATOM 37 N NE2 . HIS A 1 5 ? -8.547 6.317 -2.453 1.00 81.49 5 A 1 ATOM 38 N N . ARG A 1 6 ? -6.709 4.252 3.351 1.00 95.88 6 A 1 ATOM 39 C CA . ARG A 1 6 ? -5.579 4.472 4.259 1.00 96.50 6 A 1 ATOM 40 C C . ARG A 1 6 ? -4.546 3.348 4.132 1.00 96.88 6 A 1 ATOM 41 O O . ARG A 1 6 ? -3.351 3.623 4.073 1.00 95.79 6 A 1 ATOM 42 C CB . ARG A 1 6 ? -6.125 4.584 5.687 1.00 95.86 6 A 1 ATOM 43 C CG . ARG A 1 6 ? -5.099 5.072 6.698 1.00 90.34 6 A 1 ATOM 44 C CD . ARG A 1 6 ? -4.930 6.592 6.636 1.00 86.33 6 A 1 ATOM 45 N NE . ARG A 1 6 ? -4.220 7.090 7.828 1.00 81.52 6 A 1 ATOM 46 C CZ . ARG A 1 6 ? -4.399 8.264 8.414 1.00 79.70 6 A 1 ATOM 47 N NH1 . ARG A 1 6 ? -5.245 9.142 7.949 1.00 74.03 6 A 1 ATOM 48 N NH2 . ARG A 1 6 ? -3.731 8.578 9.495 1.00 72.36 6 A 1 ATOM 49 N N . ARG A 1 7 ? -4.995 2.091 4.050 1.00 95.97 7 A 1 ATOM 50 C CA . ARG A 1 7 ? -4.118 0.928 3.864 1.00 96.35 7 A 1 ATOM 51 C C . ARG A 1 7 ? -3.415 0.962 2.506 1.00 96.59 7 A 1 ATOM 52 O O . ARG A 1 7 ? -2.237 0.623 2.434 1.00 95.58 7 A 1 ATOM 53 C CB . ARG A 1 7 ? -4.922 -0.365 4.006 1.00 95.24 7 A 1 ATOM 54 C CG . ARG A 1 7 ? -5.195 -0.682 5.474 1.00 88.86 7 A 1 ATOM 55 C CD . ARG A 1 7 ? -5.993 -1.973 5.569 1.00 86.43 7 A 1 ATOM 56 N NE . ARG A 1 7 ? -6.111 -2.431 6.963 1.00 81.58 7 A 1 ATOM 57 C CZ . ARG A 1 7 ? -6.804 -3.482 7.358 1.00 79.04 7 A 1 ATOM 58 N NH1 . ARG A 1 7 ? -7.506 -4.195 6.517 1.00 73.33 7 A 1 ATOM 59 N NH2 . ARG A 1 7 ? -6.799 -3.837 8.616 1.00 71.59 7 A 1 ATOM 60 N N . PHE A 1 8 ? -4.103 1.411 1.445 1.00 95.74 8 A 1 ATOM 61 C CA . PHE A 1 8 ? -3.501 1.571 0.124 1.00 95.69 8 A 1 ATOM 62 C C . PHE A 1 8 ? -2.370 2.601 0.142 1.00 96.46 8 A 1 ATOM 63 O O . PHE A 1 8 ? -1.293 2.347 -0.395 1.00 95.75 8 A 1 ATOM 64 C CB . PHE A 1 8 ? -4.584 1.959 -0.883 1.00 95.19 8 A 1 ATOM 65 C CG . PHE A 1 8 ? -4.699 0.949 -1.997 1.00 93.35 8 A 1 ATOM 66 C CD1 . PHE A 1 8 ? -3.881 1.059 -3.127 1.00 90.66 8 A 1 ATOM 67 C CD2 . PHE A 1 8 ? -5.605 -0.113 -1.900 1.00 90.78 8 A 1 ATOM 68 C CE1 . PHE A 1 8 ? -3.967 0.120 -4.159 1.00 90.22 8 A 1 ATOM 69 C CE2 . PHE A 1 8 ? -5.697 -1.058 -2.927 1.00 89.75 8 A 1 ATOM 70 C CZ . PHE A 1 8 ? -4.877 -0.940 -4.060 1.00 89.63 8 A 1 ATOM 71 N N . VAL A 1 9 ? -2.583 3.730 0.809 1.00 96.88 9 A 1 ATOM 72 C CA . VAL A 1 9 ? -1.558 4.768 0.977 1.00 97.05 9 A 1 ATOM 73 C C . VAL A 1 9 ? -0.379 4.240 1.799 1.00 97.18 9 A 1 ATOM 74 O O . VAL A 1 9 ? 0.770 4.474 1.432 1.00 96.58 9 A 1 ATOM 75 C CB . VAL A 1 9 ? -2.161 6.032 1.611 1.00 96.68 9 A 1 ATOM 76 C CG1 . VAL A 1 9 ? -1.098 7.088 1.902 1.00 93.97 9 A 1 ATOM 77 C CG2 . VAL A 1 9 ? -3.195 6.658 0.674 1.00 93.43 9 A 1 ATOM 78 N N . LEU A 1 10 ? -0.642 3.478 2.851 1.00 97.07 10 A 1 ATOM 79 C CA . LEU A 1 10 ? 0.411 2.843 3.646 1.00 96.97 10 A 1 ATOM 80 C C . LEU A 1 10 ? 1.233 1.861 2.814 1.00 97.10 10 A 1 ATOM 81 O O . LEU A 1 10 ? 2.454 1.852 2.922 1.00 96.58 10 A 1 ATOM 82 C CB . LEU A 1 10 ? -0.184 2.128 4.867 1.00 96.82 10 A 1 ATOM 83 C CG . LEU A 1 10 ? 0.205 2.802 6.187 1.00 92.82 10 A 1 ATOM 84 C CD1 . LEU A 1 10 ? -0.909 3.713 6.694 1.00 90.63 10 A 1 ATOM 85 C CD2 . LEU A 1 10 ? 0.496 1.746 7.250 1.00 90.06 10 A 1 ATOM 86 N N . SER A 1 11 ? 0.586 1.064 1.961 1.00 96.74 11 A 1 ATOM 87 C CA . SER A 1 11 ? 1.277 0.117 1.083 1.00 96.54 11 A 1 ATOM 88 C C . SER A 1 11 ? 2.195 0.842 0.093 1.00 97.03 11 A 1 ATOM 89 O O . SER A 1 11 ? 3.328 0.416 -0.124 1.00 95.98 11 A 1 ATOM 90 C CB . SER A 1 11 ? 0.248 -0.742 0.350 1.00 95.01 11 A 1 ATOM 91 O OG . SER A 1 11 ? 0.886 -1.852 -0.227 1.00 82.27 11 A 1 ATOM 92 N N . GLY A 1 12 ? 1.741 1.963 -0.451 1.00 96.46 12 A 1 ATOM 93 C CA . GLY A 1 12 ? 2.579 2.818 -1.298 1.00 96.53 12 A 1 ATOM 94 C C . GLY A 1 12 ? 3.771 3.402 -0.536 1.00 97.27 12 A 1 ATOM 95 O O . GLY A 1 12 ? 4.884 3.437 -1.058 1.00 96.86 12 A 1 ATOM 96 N N . ALA A 1 13 ? 3.571 3.801 0.713 1.00 97.05 13 A 1 ATOM 97 C CA . ALA A 1 13 ? 4.645 4.298 1.570 1.00 97.19 13 A 1 ATOM 98 C C . ALA A 1 13 ? 5.683 3.208 1.881 1.00 97.70 13 A 1 ATOM 99 O O . ALA A 1 13 ? 6.874 3.502 1.926 1.00 96.78 13 A 1 ATOM 100 C CB . ALA A 1 13 ? 4.033 4.866 2.852 1.00 96.48 13 A 1 ATOM 101 N N . VAL A 1 14 ? 5.257 1.956 2.043 1.00 97.34 14 A 1 ATOM 102 C CA . VAL A 1 14 ? 6.171 0.820 2.236 1.00 97.36 14 A 1 ATOM 103 C C . VAL A 1 14 ? 7.034 0.603 0.993 1.00 97.78 14 A 1 ATOM 104 O O . VAL A 1 14 ? 8.245 0.437 1.120 1.00 97.29 14 A 1 ATOM 105 C CB . VAL A 1 14 ? 5.397 -0.454 2.610 1.00 96.70 14 A 1 ATOM 106 C CG1 . VAL A 1 14 ? 6.296 -1.685 2.640 1.00 94.46 14 A 1 ATOM 107 C CG2 . VAL A 1 14 ? 4.766 -0.310 3.992 1.00 94.23 14 A 1 ATOM 108 N N . LEU A 1 15 ? 6.449 0.665 -0.198 1.00 96.99 15 A 1 ATOM 109 C CA . LEU A 1 15 ? 7.204 0.576 -1.454 1.00 96.96 15 A 1 ATOM 110 C C . LEU A 1 15 ? 8.245 1.693 -1.571 1.00 97.48 15 A 1 ATOM 111 O O . LEU A 1 15 ? 9.394 1.430 -1.932 1.00 97.22 15 A 1 ATOM 112 C CB . LEU A 1 15 ? 6.222 0.627 -2.632 1.00 96.39 15 A 1 ATOM 113 C CG . LEU A 1 15 ? 5.662 -0.752 -2.984 1.00 91.25 15 A 1 ATOM 114 C CD1 . LEU A 1 15 ? 4.362 -0.616 -3.766 1.00 90.24 15 A 1 ATOM 115 C CD2 . LEU A 1 15 ? 6.664 -1.531 -3.840 1.00 90.26 15 A 1 ATOM 116 N N . LEU A 1 16 ? 7.871 2.917 -1.222 1.00 96.87 16 A 1 ATOM 117 C CA . LEU A 1 16 ? 8.802 4.044 -1.180 1.00 96.73 16 A 1 ATOM 118 C C . LEU A 1 16 ? 9.905 3.828 -0.144 1.00 97.43 16 A 1 ATOM 119 O O . LEU A 1 16 ? 11.059 4.167 -0.404 1.00 97.08 16 A 1 ATOM 120 C CB . LEU A 1 16 ? 8.013 5.324 -0.873 1.00 95.99 16 A 1 ATOM 121 C CG . LEU A 1 16 ? 7.368 5.934 -2.125 1.00 92.03 16 A 1 ATOM 122 C CD1 . LEU A 1 16 ? 6.234 6.873 -1.728 1.00 91.03 16 A 1 ATOM 123 C CD2 . LEU A 1 16 ? 8.400 6.723 -2.931 1.00 90.44 16 A 1 ATOM 124 N N . SER A 1 17 ? 9.583 3.229 0.989 1.00 97.46 17 A 1 ATOM 125 C CA . SER A 1 17 ? 10.564 2.910 2.027 1.00 97.63 17 A 1 ATOM 126 C C . SER A 1 17 ? 11.577 1.873 1.540 1.00 98.03 17 A 1 ATOM 127 O O . SER A 1 17 ? 12.764 2.015 1.805 1.00 97.38 17 A 1 ATOM 128 C CB . SER A 1 17 ? 9.850 2.420 3.283 1.00 97.02 17 A 1 ATOM 129 O OG . SER A 1 17 ? 10.714 2.488 4.390 1.00 89.54 17 A 1 ATOM 130 N N . VAL A 1 18 ? 11.136 0.868 0.780 1.00 97.77 18 A 1 ATOM 131 C CA . VAL A 1 18 ? 12.034 -0.130 0.174 1.00 97.76 18 A 1 ATOM 132 C C . VAL A 1 18 ? 12.969 0.527 -0.846 1.00 98.03 18 A 1 ATOM 133 O O . VAL A 1 18 ? 14.147 0.180 -0.904 1.00 97.56 18 A 1 ATOM 134 C CB . VAL A 1 18 ? 11.224 -1.270 -0.471 1.00 97.15 18 A 1 ATOM 135 C CG1 . VAL A 1 18 ? 12.106 -2.253 -1.240 1.00 94.73 18 A 1 ATOM 136 C CG2 . VAL A 1 18 ? 10.479 -2.073 0.598 1.00 94.94 18 A 1 ATOM 137 N N . LEU A 1 19 ? 12.481 1.491 -1.614 1.00 97.19 19 A 1 ATOM 138 C CA . LEU A 1 19 ? 13.314 2.261 -2.547 1.00 97.15 19 A 1 ATOM 139 C C . LEU A 1 19 ? 14.300 3.189 -1.830 1.00 97.52 19 A 1 ATOM 140 O O . LEU A 1 19 ? 15.339 3.524 -2.402 1.00 97.10 19 A 1 ATOM 141 C CB . LEU A 1 19 ? 12.388 3.073 -3.468 1.00 96.60 19 A 1 ATOM 142 C CG . LEU A 1 19 ? 11.876 2.256 -4.660 1.00 93.26 19 A 1 ATOM 143 C CD1 . LEU A 1 19 ? 10.574 2.847 -5.192 1.00 90.38 19 A 1 ATOM 144 C CD2 . LEU A 1 19 ? 12.901 2.249 -5.791 1.00 89.39 19 A 1 ATOM 145 N N . ALA A 1 20 ? 13.992 3.607 -0.615 1.00 97.19 20 A 1 ATOM 146 C CA . ALA A 1 20 ? 14.851 4.475 0.187 1.00 97.20 20 A 1 ATOM 147 C C . ALA A 1 20 ? 15.955 3.707 0.936 1.00 97.41 20 A 1 ATOM 148 O O . ALA A 1 20 ? 16.890 4.331 1.438 1.00 96.16 20 A 1 ATOM 149 C CB . ALA A 1 20 ? 13.967 5.279 1.146 1.00 96.30 20 A 1 ATOM 150 N N . VAL A 1 21 ? 15.860 2.379 1.026 1.00 95.54 21 A 1 ATOM 151 C CA . VAL A 1 21 ? 16.876 1.509 1.637 1.00 93.88 21 A 1 ATOM 152 C C . VAL A 1 21 ? 17.915 1.107 0.598 1.00 91.60 21 A 1 ATOM 153 O O . VAL A 1 21 ? 17.539 0.777 -0.537 1.00 86.71 21 A 1 ATOM 154 C CB . VAL A 1 21 ? 16.229 0.280 2.306 1.00 89.86 21 A 1 ATOM 155 C CG1 . VAL A 1 21 ? 17.264 -0.722 2.817 1.00 81.63 21 A 1 ATOM 156 C CG2 . VAL A 1 21 ? 15.388 0.716 3.507 1.00 84.07 21 A 1 ATOM 157 O OXT . VAL A 1 21 ? 19.120 1.120 0.941 1.00 83.04 21 A 1 #