# 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_spkb22907 # _entry.id spkb22907 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "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" "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "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 LYS 2 1 n LEU 3 1 n SER 4 1 n GLN 5 1 n ILE 6 1 n LEU 7 1 n THR 8 1 n PHE 9 1 n ALA 10 1 n SER 11 1 n LEU 12 1 n LEU 13 1 n SER 14 1 n GLY 15 1 n ALA 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 @ 2025-07-07 06:50:29)" _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 95.34 _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 86.82 1 1 A LYS 2 2 90.80 1 2 A LEU 3 2 96.62 1 3 A SER 4 2 97.36 1 4 A GLN 5 2 95.16 1 5 A ILE 6 2 98.00 1 6 A LEU 7 2 96.09 1 7 A THR 8 2 96.85 1 8 A PHE 9 2 95.48 1 9 A ALA 10 2 98.19 1 10 A SER 11 2 96.89 1 11 A LEU 12 2 96.98 1 12 A LEU 13 2 95.95 1 13 A SER 14 2 96.65 1 14 A GLY 15 2 98.17 1 15 A ALA 16 2 97.80 1 16 A LEU 17 2 94.82 1 17 A ALA 18 2 91.92 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 LYS . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n ALA . 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 ? -0.112 10.567 4.632 1.00 93.15 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.538 11.226 5.861 1.00 94.28 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.076 10.548 7.081 1.00 95.37 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.029 11.048 7.665 1.00 92.94 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.058 11.197 5.971 1.00 87.93 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.741 11.976 4.858 1.00 82.08 1 A 1 ATOM 7 S SD . MET A 1 1 ? -2.416 13.724 4.962 1.00 79.79 1 A 1 ATOM 8 C CE . MET A 1 1 ? -3.340 14.296 3.549 1.00 69.03 1 A 1 ATOM 9 N N . LYS A 1 2 ? -0.496 9.396 7.471 1.00 95.06 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -0.003 8.665 8.640 1.00 97.31 2 A 1 ATOM 11 C C . LYS A 1 2 ? 0.897 7.510 8.220 1.00 98.10 2 A 1 ATOM 12 O O . LYS A 1 2 ? 0.806 7.007 7.097 1.00 97.92 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -1.181 8.135 9.455 1.00 95.70 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -2.026 9.237 10.076 1.00 89.14 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -3.194 8.651 10.845 1.00 87.71 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -3.947 9.736 11.603 1.00 80.89 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -4.435 10.825 10.709 1.00 75.35 2 A 1 ATOM 18 N N . LEU A 1 3 ? 1.744 7.072 9.140 1.00 98.11 3 A 1 ATOM 19 C CA . LEU A 1 3 ? 2.658 5.961 8.865 1.00 98.40 3 A 1 ATOM 20 C C . LEU A 1 3 ? 1.885 4.677 8.575 1.00 98.57 3 A 1 ATOM 21 O O . LEU A 1 3 ? 2.292 3.869 7.737 1.00 98.39 3 A 1 ATOM 22 C CB . LEU A 1 3 ? 3.589 5.747 10.059 1.00 98.21 3 A 1 ATOM 23 C CG . LEU A 1 3 ? 4.538 6.916 10.326 1.00 95.69 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? 5.301 6.677 11.620 1.00 93.03 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? 5.507 7.096 9.167 1.00 92.53 3 A 1 ATOM 26 N N . SER A 1 4 ? 0.765 4.489 9.262 1.00 98.65 4 A 1 ATOM 27 C CA . SER A 1 4 ? -0.073 3.307 9.069 1.00 98.63 4 A 1 ATOM 28 C C . SER A 1 4 ? -0.637 3.257 7.653 1.00 98.70 4 A 1 ATOM 29 O O . SER A 1 4 ? -0.832 2.178 7.092 1.00 98.44 4 A 1 ATOM 30 C CB . SER A 1 4 ? -1.223 3.310 10.074 1.00 98.22 4 A 1 ATOM 31 O OG . SER A 1 4 ? -2.004 4.475 9.935 1.00 91.52 4 A 1 ATOM 32 N N . GLN A 1 5 ? -0.889 4.420 7.072 1.00 98.50 5 A 1 ATOM 33 C CA . GLN A 1 5 ? -1.421 4.495 5.714 1.00 98.57 5 A 1 ATOM 34 C C . GLN A 1 5 ? -0.393 4.009 4.704 1.00 98.68 5 A 1 ATOM 35 O O . GLN A 1 5 ? -0.732 3.344 3.724 1.00 98.50 5 A 1 ATOM 36 C CB . GLN A 1 5 ? -1.827 5.931 5.389 1.00 98.32 5 A 1 ATOM 37 C CG . GLN A 1 5 ? -3.019 6.399 6.201 1.00 95.75 5 A 1 ATOM 38 C CD . GLN A 1 5 ? -3.409 7.823 5.869 1.00 92.74 5 A 1 ATOM 39 O OE1 . GLN A 1 5 ? -2.609 8.736 6.008 1.00 88.29 5 A 1 ATOM 40 N NE2 . GLN A 1 5 ? -4.624 8.023 5.407 1.00 87.11 5 A 1 ATOM 41 N N . ILE A 1 6 ? 0.857 4.335 4.946 1.00 98.58 6 A 1 ATOM 42 C CA . ILE A 1 6 ? 1.937 3.918 4.062 1.00 98.56 6 A 1 ATOM 43 C C . ILE A 1 6 ? 2.071 2.402 4.068 1.00 98.58 6 A 1 ATOM 44 O O . ILE A 1 6 ? 2.184 1.770 3.014 1.00 98.44 6 A 1 ATOM 45 C CB . ILE A 1 6 ? 3.267 4.565 4.480 1.00 98.50 6 A 1 ATOM 46 C CG1 . ILE A 1 6 ? 3.157 6.093 4.403 1.00 97.77 6 A 1 ATOM 47 C CG2 . ILE A 1 6 ? 4.399 4.066 3.582 1.00 97.46 6 A 1 ATOM 48 C CD1 . ILE A 1 6 ? 4.354 6.806 4.997 1.00 96.11 6 A 1 ATOM 49 N N . LEU A 1 7 ? 2.065 1.827 5.253 1.00 98.31 7 A 1 ATOM 50 C CA . LEU A 1 7 ? 2.194 0.379 5.391 1.00 98.20 7 A 1 ATOM 51 C C . LEU A 1 7 ? 0.962 -0.337 4.853 1.00 98.29 7 A 1 ATOM 52 O O . LEU A 1 7 ? 1.071 -1.367 4.181 1.00 98.21 7 A 1 ATOM 53 C CB . LEU A 1 7 ? 2.412 0.010 6.858 1.00 97.96 7 A 1 ATOM 54 C CG . LEU A 1 7 ? 2.684 -1.475 7.091 1.00 93.76 7 A 1 ATOM 55 C CD1 . LEU A 1 7 ? 3.974 -1.893 6.399 1.00 91.57 7 A 1 ATOM 56 C CD2 . LEU A 1 7 ? 2.772 -1.760 8.582 1.00 92.44 7 A 1 ATOM 57 N N . THR A 1 8 ? -0.211 0.209 5.139 1.00 97.81 8 A 1 ATOM 58 C CA . THR A 1 8 ? -1.469 -0.382 4.685 1.00 97.85 8 A 1 ATOM 59 C C . THR A 1 8 ? -1.572 -0.325 3.164 1.00 98.00 8 A 1 ATOM 60 O O . THR A 1 8 ? -1.993 -1.288 2.521 1.00 97.81 8 A 1 ATOM 61 C CB . THR A 1 8 ? -2.671 0.344 5.300 1.00 97.59 8 A 1 ATOM 62 O OG1 . THR A 1 8 ? -2.595 0.284 6.724 1.00 95.11 8 A 1 ATOM 63 C CG2 . THR A 1 8 ? -3.976 -0.292 4.850 1.00 93.81 8 A 1 ATOM 64 N N . PHE A 1 9 ? -1.179 0.802 2.591 1.00 97.90 9 A 1 ATOM 65 C CA . PHE A 1 9 ? -1.228 0.970 1.145 1.00 97.84 9 A 1 ATOM 66 C C . PHE A 1 9 ? -0.325 -0.046 0.458 1.00 98.00 9 A 1 ATOM 67 O O . PHE A 1 9 ? -0.697 -0.641 -0.553 1.00 97.81 9 A 1 ATOM 68 C CB . PHE A 1 9 ? -0.799 2.388 0.772 1.00 97.49 9 A 1 ATOM 69 C CG . PHE A 1 9 ? -0.989 2.688 -0.693 1.00 96.01 9 A 1 ATOM 70 C CD1 . PHE A 1 9 ? -2.257 2.880 -1.213 1.00 93.26 9 A 1 ATOM 71 C CD2 . PHE A 1 9 ? 0.103 2.777 -1.537 1.00 93.74 9 A 1 ATOM 72 C CE1 . PHE A 1 9 ? -2.443 3.154 -2.559 1.00 93.16 9 A 1 ATOM 73 C CE2 . PHE A 1 9 ? -0.071 3.048 -2.892 1.00 92.68 9 A 1 ATOM 74 C CZ . PHE A 1 9 ? -1.346 3.237 -3.402 1.00 92.41 9 A 1 ATOM 75 N N . ALA A 1 10 ? 0.856 -0.245 1.007 1.00 98.24 10 A 1 ATOM 76 C CA . ALA A 1 10 ? 1.799 -1.213 0.457 1.00 98.21 10 A 1 ATOM 77 C C . ALA A 1 10 ? 1.233 -2.627 0.544 1.00 98.34 10 A 1 ATOM 78 O O . ALA A 1 10 ? 1.434 -3.442 -0.358 1.00 98.17 10 A 1 ATOM 79 C CB . ALA A 1 10 ? 3.121 -1.135 1.212 1.00 97.97 10 A 1 ATOM 80 N N . SER A 1 11 ? 0.519 -2.917 1.623 1.00 98.53 11 A 1 ATOM 81 C CA . SER A 1 11 ? -0.091 -4.228 1.823 1.00 98.47 11 A 1 ATOM 82 C C . SER A 1 11 ? -1.172 -4.487 0.780 1.00 98.61 11 A 1 ATOM 83 O O . SER A 1 11 ? -1.298 -5.601 0.272 1.00 98.32 11 A 1 ATOM 84 C CB . SER A 1 11 ? -0.701 -4.326 3.219 1.00 97.96 11 A 1 ATOM 85 O OG . SER A 1 11 ? -1.252 -5.605 3.428 1.00 89.47 11 A 1 ATOM 86 N N . LEU A 1 12 ? -1.943 -3.452 0.457 1.00 98.54 12 A 1 ATOM 87 C CA . LEU A 1 12 ? -3.009 -3.572 -0.531 1.00 98.56 12 A 1 ATOM 88 C C . LEU A 1 12 ? -2.436 -3.874 -1.909 1.00 98.65 12 A 1 ATOM 89 O O . LEU A 1 12 ? -2.957 -4.723 -2.636 1.00 98.45 12 A 1 ATOM 90 C CB . LEU A 1 12 ? -3.825 -2.280 -0.580 1.00 98.33 12 A 1 ATOM 91 C CG . LEU A 1 12 ? -4.640 -2.003 0.679 1.00 96.30 12 A 1 ATOM 92 C CD1 . LEU A 1 12 ? -5.250 -0.609 0.619 1.00 93.50 12 A 1 ATOM 93 C CD2 . LEU A 1 12 ? -5.739 -3.044 0.841 1.00 93.54 12 A 1 ATOM 94 N N . LEU A 1 13 ? -1.372 -3.190 -2.265 1.00 98.39 13 A 1 ATOM 95 C CA . LEU A 1 13 ? -0.727 -3.397 -3.554 1.00 98.24 13 A 1 ATOM 96 C C . LEU A 1 13 ? -0.134 -4.795 -3.641 1.00 98.40 13 A 1 ATOM 97 O O . LEU A 1 13 ? -0.276 -5.481 -4.657 1.00 98.26 13 A 1 ATOM 98 C CB . LEU A 1 13 ? 0.368 -2.354 -3.762 1.00 97.74 13 A 1 ATOM 99 C CG . LEU A 1 13 ? -0.141 -0.921 -3.892 1.00 94.04 13 A 1 ATOM 100 C CD1 . LEU A 1 13 ? 1.031 0.047 -3.928 1.00 91.02 13 A 1 ATOM 101 C CD2 . LEU A 1 13 ? -0.997 -0.767 -5.139 1.00 91.51 13 A 1 ATOM 102 N N . SER A 1 14 ? 0.524 -5.227 -2.582 1.00 98.49 14 A 1 ATOM 103 C CA . SER A 1 14 ? 1.132 -6.551 -2.537 1.00 98.41 14 A 1 ATOM 104 C C . SER A 1 14 ? 0.072 -7.646 -2.564 1.00 98.52 14 A 1 ATOM 105 O O . SER A 1 14 ? 0.234 -8.666 -3.232 1.00 97.71 14 A 1 ATOM 106 C CB . SER A 1 14 ? 1.988 -6.689 -1.285 1.00 97.52 14 A 1 ATOM 107 O OG . SER A 1 14 ? 3.033 -5.735 -1.299 1.00 89.28 14 A 1 ATOM 108 N N . GLY A 1 15 ? -1.025 -7.426 -1.843 1.00 98.27 15 A 1 ATOM 109 C CA . GLY A 1 15 ? -2.112 -8.395 -1.799 1.00 98.16 15 A 1 ATOM 110 C C . GLY A 1 15 ? -2.808 -8.544 -3.134 1.00 98.41 15 A 1 ATOM 111 O O . GLY A 1 15 ? -3.237 -9.638 -3.504 1.00 97.84 15 A 1 ATOM 112 N N . ALA A 1 16 ? -2.924 -7.443 -3.870 1.00 97.95 16 A 1 ATOM 113 C CA . ALA A 1 16 ? -3.570 -7.461 -5.180 1.00 98.00 16 A 1 ATOM 114 C C . ALA A 1 16 ? -2.726 -8.213 -6.203 1.00 98.20 16 A 1 ATOM 115 O O . ALA A 1 16 ? -3.261 -8.890 -7.081 1.00 97.43 16 A 1 ATOM 116 C CB . ALA A 1 16 ? -3.826 -6.033 -5.654 1.00 97.40 16 A 1 ATOM 117 N N . LEU A 1 17 ? -1.411 -8.084 -6.092 1.00 98.03 17 A 1 ATOM 118 C CA . LEU A 1 17 ? -0.490 -8.750 -7.009 1.00 97.70 17 A 1 ATOM 119 C C . LEU A 1 17 ? -0.263 -10.198 -6.604 1.00 97.71 17 A 1 ATOM 120 O O . LEU A 1 17 ? -0.383 -11.116 -7.423 1.00 96.77 17 A 1 ATOM 121 C CB . LEU A 1 17 ? 0.846 -7.997 -7.053 1.00 96.76 17 A 1 ATOM 122 C CG . LEU A 1 17 ? 1.707 -8.240 -8.299 1.00 93.51 17 A 1 ATOM 123 C CD1 . LEU A 1 17 ? 2.143 -9.687 -8.397 1.00 89.63 17 A 1 ATOM 124 C CD2 . LEU A 1 17 ? 0.915 -7.839 -9.541 1.00 88.42 17 A 1 ATOM 125 N N . ALA A 1 18 ? 0.079 -10.409 -5.333 1.00 96.39 18 A 1 ATOM 126 C CA . ALA A 1 18 ? 0.367 -11.742 -4.811 1.00 95.09 18 A 1 ATOM 127 C C . ALA A 1 18 ? -0.928 -12.475 -4.466 1.00 94.20 18 A 1 ATOM 128 O O . ALA A 1 18 ? -1.505 -12.219 -3.400 1.00 89.96 18 A 1 ATOM 129 C CB . ALA A 1 18 ? 1.270 -11.647 -3.593 1.00 91.98 18 A 1 ATOM 130 O OXT . ALA A 1 18 ? -1.360 -13.317 -5.273 1.00 83.89 18 A 1 #