# 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_spkb23875 # _entry.id spkb23875 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 GLN 2 1 n TYR 3 1 n LYS 4 1 n LYS 5 1 n PRO 6 1 n LEU 7 1 n VAL 8 1 n VAL 9 1 n SER 10 1 n ALA 11 1 n LEU 12 1 n ALA 13 1 n ALA 14 1 n THR 15 1 n SER 16 1 n LEU 17 1 n ALA 18 # _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 18:13:17)" _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 89.90 _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 83.22 1 1 A GLN 2 2 84.66 1 2 A TYR 3 2 85.98 1 3 A LYS 4 2 87.04 1 4 A LYS 5 2 87.88 1 5 A PRO 6 2 94.67 1 6 A LEU 7 2 91.48 1 7 A VAL 8 2 93.60 1 8 A VAL 9 2 93.62 1 9 A SER 10 2 92.96 1 10 A ALA 11 2 95.68 1 11 A LEU 12 2 92.80 1 12 A ALA 13 2 95.02 1 13 A ALA 14 2 94.87 1 14 A THR 15 2 91.07 1 15 A SER 16 2 91.33 1 16 A LEU 17 2 88.86 1 17 A ALA 18 2 83.98 1 18 # _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 GLN . 2 A 2 A 3 1 n TYR . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n PRO . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ALA . 18 A 18 # _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 ? -14.361 3.129 2.091 1.00 88.65 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.503 3.869 3.040 1.00 89.31 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.206 4.325 2.365 1.00 90.49 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.951 3.981 1.215 1.00 87.80 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.177 2.985 4.232 1.00 85.31 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.431 2.607 5.018 1.00 80.34 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.136 4.019 5.852 1.00 76.35 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.691 3.325 6.398 1.00 67.49 1 A 1 ATOM 9 N N . GLN A 1 2 ? -11.397 5.088 3.081 1.00 90.89 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -10.145 5.621 2.549 1.00 92.11 2 A 1 ATOM 11 C C . GLN A 1 2 ? -8.925 4.883 3.107 1.00 93.17 2 A 1 ATOM 12 O O . GLN A 1 2 ? -7.922 5.497 3.459 1.00 90.70 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -10.051 7.112 2.872 1.00 89.77 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -10.140 7.387 4.365 1.00 80.59 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -10.191 8.874 4.667 1.00 78.97 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -9.813 9.698 3.840 1.00 75.13 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -10.646 9.238 5.851 1.00 70.62 2 A 1 ATOM 18 N N . TYR A 1 3 ? -9.032 3.568 3.191 1.00 89.11 3 A 1 ATOM 19 C CA . TYR A 1 3 ? -7.943 2.756 3.737 1.00 90.10 3 A 1 ATOM 20 C C . TYR A 1 3 ? -7.201 1.986 2.645 1.00 92.07 3 A 1 ATOM 21 O O . TYR A 1 3 ? -6.347 1.153 2.935 1.00 90.62 3 A 1 ATOM 22 C CB . TYR A 1 3 ? -8.511 1.767 4.763 1.00 89.04 3 A 1 ATOM 23 C CG . TYR A 1 3 ? -9.291 2.442 5.870 1.00 85.01 3 A 1 ATOM 24 C CD1 . TYR A 1 3 ? -8.681 3.371 6.706 1.00 83.98 3 A 1 ATOM 25 C CD2 . TYR A 1 3 ? -10.633 2.144 6.073 1.00 83.09 3 A 1 ATOM 26 C CE1 . TYR A 1 3 ? -9.393 3.989 7.724 1.00 81.39 3 A 1 ATOM 27 C CE2 . TYR A 1 3 ? -11.355 2.758 7.093 1.00 82.60 3 A 1 ATOM 28 C CZ . TYR A 1 3 ? -10.729 3.676 7.913 1.00 83.16 3 A 1 ATOM 29 O OH . TYR A 1 3 ? -11.440 4.280 8.916 1.00 81.61 3 A 1 ATOM 30 N N . LYS A 1 4 ? -7.535 2.272 1.372 1.00 92.59 4 A 1 ATOM 31 C CA . LYS A 1 4 ? -6.918 1.579 0.246 1.00 93.21 4 A 1 ATOM 32 C C . LYS A 1 4 ? -5.582 2.215 -0.126 1.00 94.03 4 A 1 ATOM 33 O O . LYS A 1 4 ? -4.627 1.510 -0.457 1.00 93.89 4 A 1 ATOM 34 C CB . LYS A 1 4 ? -7.867 1.586 -0.959 1.00 92.74 4 A 1 ATOM 35 C CG . LYS A 1 4 ? -9.270 1.083 -0.634 1.00 86.58 4 A 1 ATOM 36 C CD . LYS A 1 4 ? -9.255 -0.322 -0.065 1.00 83.84 4 A 1 ATOM 37 C CE . LYS A 1 4 ? -10.628 -0.742 0.416 1.00 76.70 4 A 1 ATOM 38 N NZ . LYS A 1 4 ? -10.549 -1.968 1.257 1.00 69.79 4 A 1 ATOM 39 N N . LYS A 1 5 ? -5.520 3.535 -0.080 1.00 92.87 5 A 1 ATOM 40 C CA . LYS A 1 5 ? -4.287 4.253 -0.418 1.00 93.73 5 A 1 ATOM 41 C C . LYS A 1 5 ? -3.144 3.896 0.542 1.00 94.54 5 A 1 ATOM 42 O O . LYS A 1 5 ? -2.073 3.491 0.090 1.00 94.32 5 A 1 ATOM 43 C CB . LYS A 1 5 ? -4.536 5.768 -0.419 1.00 92.97 5 A 1 ATOM 44 C CG . LYS A 1 5 ? -4.978 6.293 -1.774 1.00 86.89 5 A 1 ATOM 45 C CD . LYS A 1 5 ? -5.005 7.811 -1.793 1.00 84.60 5 A 1 ATOM 46 C CE . LYS A 1 5 ? -5.330 8.337 -3.178 1.00 78.92 5 A 1 ATOM 47 N NZ . LYS A 1 5 ? -5.278 9.831 -3.216 1.00 72.11 5 A 1 ATOM 48 N N . PRO A 1 6 ? -3.355 4.036 1.855 1.00 95.17 6 A 1 ATOM 49 C CA . PRO A 1 6 ? -2.299 3.703 2.819 1.00 95.27 6 A 1 ATOM 50 C C . PRO A 1 6 ? -1.974 2.211 2.816 1.00 95.93 6 A 1 ATOM 51 O O . PRO A 1 6 ? -0.850 1.814 3.119 1.00 94.60 6 A 1 ATOM 52 C CB . PRO A 1 6 ? -2.883 4.145 4.167 1.00 94.01 6 A 1 ATOM 53 C CG . PRO A 1 6 ? -4.353 4.184 3.969 1.00 93.10 6 A 1 ATOM 54 C CD . PRO A 1 6 ? -4.563 4.551 2.534 1.00 94.59 6 A 1 ATOM 55 N N . LEU A 1 7 ? -2.955 1.389 2.469 1.00 93.91 7 A 1 ATOM 56 C CA . LEU A 1 7 ? -2.762 -0.056 2.408 1.00 94.47 7 A 1 ATOM 57 C C . LEU A 1 7 ? -1.761 -0.411 1.315 1.00 95.51 7 A 1 ATOM 58 O O . LEU A 1 7 ? -0.894 -1.267 1.506 1.00 94.38 7 A 1 ATOM 59 C CB . LEU A 1 7 ? -4.104 -0.751 2.150 1.00 93.99 7 A 1 ATOM 60 C CG . LEU A 1 7 ? -4.601 -1.586 3.328 1.00 88.92 7 A 1 ATOM 61 C CD1 . LEU A 1 7 ? -6.077 -1.915 3.172 1.00 86.15 7 A 1 ATOM 62 C CD2 . LEU A 1 7 ? -3.787 -2.866 3.435 1.00 84.51 7 A 1 ATOM 63 N N . VAL A 1 8 ? -1.881 0.255 0.179 1.00 94.85 8 A 1 ATOM 64 C CA . VAL A 1 8 ? -0.979 0.024 -0.947 1.00 94.86 8 A 1 ATOM 65 C C . VAL A 1 8 ? 0.443 0.431 -0.568 1.00 95.72 8 A 1 ATOM 66 O O . VAL A 1 8 ? 1.408 -0.277 -0.877 1.00 95.07 8 A 1 ATOM 67 C CB . VAL A 1 8 ? -1.446 0.805 -2.189 1.00 93.77 8 A 1 ATOM 68 C CG1 . VAL A 1 8 ? -0.454 0.648 -3.330 1.00 90.33 8 A 1 ATOM 69 C CG2 . VAL A 1 8 ? -2.822 0.330 -2.628 1.00 90.60 8 A 1 ATOM 70 N N . VAL A 1 9 ? 0.561 1.553 0.098 1.00 94.87 9 A 1 ATOM 71 C CA . VAL A 1 9 ? 1.864 2.051 0.536 1.00 94.70 9 A 1 ATOM 72 C C . VAL A 1 9 ? 2.481 1.085 1.543 1.00 95.29 9 A 1 ATOM 73 O O . VAL A 1 9 ? 3.680 0.799 1.497 1.00 94.73 9 A 1 ATOM 74 C CB . VAL A 1 9 ? 1.734 3.451 1.158 1.00 93.88 9 A 1 ATOM 75 C CG1 . VAL A 1 9 ? 3.083 3.950 1.658 1.00 90.47 9 A 1 ATOM 76 C CG2 . VAL A 1 9 ? 1.160 4.430 0.144 1.00 91.42 9 A 1 ATOM 77 N N . SER A 1 10 ? 1.657 0.586 2.441 1.00 95.46 10 A 1 ATOM 78 C CA . SER A 1 10 ? 2.107 -0.355 3.461 1.00 94.77 10 A 1 ATOM 79 C C . SER A 1 10 ? 2.567 -1.661 2.817 1.00 95.39 10 A 1 ATOM 80 O O . SER A 1 10 ? 3.562 -2.255 3.236 1.00 94.86 10 A 1 ATOM 81 C CB . SER A 1 10 ? 0.978 -0.632 4.452 1.00 93.55 10 A 1 ATOM 82 O OG . SER A 1 10 ? 1.463 -1.338 5.566 1.00 83.73 10 A 1 ATOM 83 N N . ALA A 1 11 ? 1.846 -2.092 1.803 1.00 95.53 11 A 1 ATOM 84 C CA . ALA A 1 11 ? 2.180 -3.317 1.084 1.00 95.77 11 A 1 ATOM 85 C C . ALA A 1 11 ? 3.520 -3.170 0.371 1.00 96.57 11 A 1 ATOM 86 O O . ALA A 1 11 ? 4.331 -4.099 0.362 1.00 95.20 11 A 1 ATOM 87 C CB . ALA A 1 11 ? 1.078 -3.641 0.084 1.00 95.31 11 A 1 ATOM 88 N N . LEU A 1 12 ? 3.746 -2.002 -0.203 1.00 95.72 12 A 1 ATOM 89 C CA . LEU A 1 12 ? 4.998 -1.722 -0.896 1.00 94.92 12 A 1 ATOM 90 C C . LEU A 1 12 ? 6.163 -1.753 0.082 1.00 95.53 12 A 1 ATOM 91 O O . LEU A 1 12 ? 7.224 -2.304 -0.211 1.00 94.79 12 A 1 ATOM 92 C CB . LEU A 1 12 ? 4.935 -0.350 -1.572 1.00 94.36 12 A 1 ATOM 93 C CG . LEU A 1 12 ? 5.570 -0.338 -2.962 1.00 89.72 12 A 1 ATOM 94 C CD1 . LEU A 1 12 ? 4.536 -0.730 -4.007 1.00 87.95 12 A 1 ATOM 95 C CD2 . LEU A 1 12 ? 6.156 1.021 -3.280 1.00 89.39 12 A 1 ATOM 96 N N . ALA A 1 13 ? 5.958 -1.154 1.242 1.00 95.81 13 A 1 ATOM 97 C CA . ALA A 1 13 ? 6.978 -1.112 2.284 1.00 95.27 13 A 1 ATOM 98 C C . ALA A 1 13 ? 7.272 -2.517 2.797 1.00 95.74 13 A 1 ATOM 99 O O . ALA A 1 13 ? 8.422 -2.858 3.079 1.00 94.11 13 A 1 ATOM 100 C CB . ALA A 1 13 ? 6.512 -0.218 3.427 1.00 94.17 13 A 1 ATOM 101 N N . ALA A 1 14 ? 6.236 -3.331 2.919 1.00 95.69 14 A 1 ATOM 102 C CA . ALA A 1 14 ? 6.377 -4.705 3.389 1.00 95.26 14 A 1 ATOM 103 C C . ALA A 1 14 ? 7.207 -5.524 2.408 1.00 95.92 14 A 1 ATOM 104 O O . ALA A 1 14 ? 8.023 -6.351 2.812 1.00 93.62 14 A 1 ATOM 105 C CB . ALA A 1 14 ? 5.001 -5.332 3.574 1.00 93.86 14 A 1 ATOM 106 N N . THR A 1 15 ? 7.012 -5.288 1.120 1.00 94.58 15 A 1 ATOM 107 C CA . THR A 1 15 ? 7.754 -5.990 0.075 1.00 93.53 15 A 1 ATOM 108 C C . THR A 1 15 ? 9.235 -5.634 0.135 1.00 94.34 15 A 1 ATOM 109 O O . THR A 1 15 ? 10.096 -6.489 -0.088 1.00 91.87 15 A 1 ATOM 110 C CB . THR A 1 15 ? 7.198 -5.630 -1.307 1.00 91.63 15 A 1 ATOM 111 O OG1 . THR A 1 15 ? 5.815 -5.965 -1.362 1.00 86.19 15 A 1 ATOM 112 C CG2 . THR A 1 15 ? 7.918 -6.401 -2.399 1.00 85.38 15 A 1 ATOM 113 N N . SER A 1 16 ? 9.528 -4.385 0.441 1.00 93.96 16 A 1 ATOM 114 C CA . SER A 1 16 ? 10.903 -3.909 0.535 1.00 93.64 16 A 1 ATOM 115 C C . SER A 1 16 ? 11.568 -4.377 1.828 1.00 94.09 16 A 1 ATOM 116 O O . SER A 1 16 ? 12.776 -4.615 1.864 1.00 91.44 16 A 1 ATOM 117 C CB . SER A 1 16 ? 10.936 -2.385 0.465 1.00 92.30 16 A 1 ATOM 118 O OG . SER A 1 16 ? 12.260 -1.929 0.336 1.00 82.54 16 A 1 ATOM 119 N N . LEU A 1 17 ? 10.777 -4.492 2.877 1.00 92.83 17 A 1 ATOM 120 C CA . LEU A 1 17 ? 11.279 -4.915 4.182 1.00 92.88 17 A 1 ATOM 121 C C . LEU A 1 17 ? 11.352 -6.429 4.305 1.00 93.81 17 A 1 ATOM 122 O O . LEU A 1 17 ? 12.164 -6.957 5.072 1.00 91.98 17 A 1 ATOM 123 C CB . LEU A 1 17 ? 10.386 -4.342 5.282 1.00 91.26 17 A 1 ATOM 124 C CG . LEU A 1 17 ? 10.611 -2.853 5.555 1.00 85.75 17 A 1 ATOM 125 C CD1 . LEU A 1 17 ? 9.439 -2.264 6.319 1.00 81.46 17 A 1 ATOM 126 C CD2 . LEU A 1 17 ? 11.899 -2.662 6.344 1.00 80.92 17 A 1 ATOM 127 N N . ALA A 1 18 ? 10.516 -7.123 3.561 1.00 88.46 18 A 1 ATOM 128 C CA . ALA A 1 18 ? 10.460 -8.582 3.606 1.00 87.40 18 A 1 ATOM 129 C C . ALA A 1 18 ? 11.206 -9.182 2.423 1.00 86.62 18 A 1 ATOM 130 O O . ALA A 1 18 ? 12.173 -9.939 2.644 1.00 82.46 18 A 1 ATOM 131 C CB . ALA A 1 18 ? 9.006 -9.044 3.636 1.00 82.54 18 A 1 ATOM 132 O OXT . ALA A 1 18 ? 10.809 -8.924 1.287 1.00 76.42 18 A 1 #