# 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_spkb40348 # _entry.id spkb40348 # 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" "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)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" "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 ARG 2 1 n ILE 3 1 n LEU 4 1 n PRO 5 1 n VAL 6 1 n VAL 7 1 n ALA 8 1 n ALA 9 1 n VAL 10 1 n THR 11 1 n ALA 12 1 n ALA 13 1 n PHE 14 1 n LEU 15 1 n VAL 16 1 n VAL 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 @ 2025-07-08 11:47:26)" _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 96.00 _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 87.44 1 1 A ARG 2 2 91.54 1 2 A ILE 3 2 95.36 1 3 A LEU 4 2 96.25 1 4 A PRO 5 2 97.96 1 5 A VAL 6 2 98.09 1 6 A VAL 7 2 97.86 1 7 A ALA 8 2 98.13 1 8 A ALA 9 2 98.16 1 9 A VAL 10 2 97.83 1 10 A THR 11 2 96.99 1 11 A ALA 12 2 98.35 1 12 A ALA 13 2 98.38 1 13 A PHE 14 2 96.60 1 14 A LEU 15 2 97.34 1 15 A VAL 16 2 97.68 1 16 A VAL 17 2 96.69 1 17 A ALA 18 2 92.67 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 ARG . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n THR . 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 LEU . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n VAL . 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 ? -7.406 2.796 15.922 1.00 93.65 1 A 1 ATOM 2 C CA . MET A 1 1 ? -6.135 2.242 15.454 1.00 92.49 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.826 2.715 14.029 1.00 93.09 1 A 1 ATOM 4 O O . MET A 1 1 ? -6.669 3.308 13.362 1.00 89.20 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.183 0.720 15.502 1.00 89.60 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.455 0.193 16.913 1.00 85.91 1 A 1 ATOM 7 S SD . MET A 1 1 ? -5.221 0.748 18.094 1.00 82.63 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.919 0.115 19.607 1.00 72.92 1 A 1 ATOM 9 N N . ARG A 1 2 ? -4.612 2.461 13.562 1.00 96.55 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -4.159 2.904 12.249 1.00 97.01 2 A 1 ATOM 11 C C . ARG A 1 2 ? -4.032 1.751 11.250 1.00 97.62 2 A 1 ATOM 12 O O . ARG A 1 2 ? -2.972 1.551 10.660 1.00 96.24 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -2.808 3.604 12.378 1.00 95.78 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -2.749 4.707 13.401 1.00 92.67 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -3.366 5.998 12.889 1.00 90.67 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -4.826 5.979 12.956 1.00 87.47 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -5.591 7.047 12.744 1.00 87.29 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -5.043 8.217 12.446 1.00 82.35 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -6.907 6.943 12.824 1.00 83.26 2 A 1 ATOM 20 N N . ILE A 1 3 ? -5.084 0.990 11.065 1.00 97.21 3 A 1 ATOM 21 C CA . ILE A 1 3 ? -5.054 -0.145 10.149 1.00 97.53 3 A 1 ATOM 22 C C . ILE A 1 3 ? -5.116 0.311 8.690 1.00 98.07 3 A 1 ATOM 23 O O . ILE A 1 3 ? -4.465 -0.269 7.822 1.00 97.51 3 A 1 ATOM 24 C CB . ILE A 1 3 ? -6.204 -1.131 10.440 1.00 96.97 3 A 1 ATOM 25 C CG1 . ILE A 1 3 ? -7.554 -0.437 10.377 1.00 93.91 3 A 1 ATOM 26 C CG2 . ILE A 1 3 ? -5.986 -1.782 11.802 1.00 92.91 3 A 1 ATOM 27 C CD1 . ILE A 1 3 ? -8.732 -1.387 10.492 1.00 88.77 3 A 1 ATOM 28 N N . LEU A 1 4 ? -5.906 1.352 8.426 1.00 97.80 4 A 1 ATOM 29 C CA . LEU A 1 4 ? -6.051 1.868 7.068 1.00 97.80 4 A 1 ATOM 30 C C . LEU A 1 4 ? -4.736 2.438 6.524 1.00 98.15 4 A 1 ATOM 31 O O . LEU A 1 4 ? -4.361 2.143 5.386 1.00 97.89 4 A 1 ATOM 32 C CB . LEU A 1 4 ? -7.164 2.925 7.013 1.00 97.39 4 A 1 ATOM 33 C CG . LEU A 1 4 ? -8.565 2.398 7.327 1.00 95.25 4 A 1 ATOM 34 C CD1 . LEU A 1 4 ? -9.578 3.534 7.280 1.00 93.34 4 A 1 ATOM 35 C CD2 . LEU A 1 4 ? -8.962 1.294 6.359 1.00 92.35 4 A 1 ATOM 36 N N . PRO A 1 5 ? -4.016 3.261 7.306 1.00 98.20 5 A 1 ATOM 37 C CA . PRO A 1 5 ? -2.735 3.816 6.845 1.00 98.25 5 A 1 ATOM 38 C C . PRO A 1 5 ? -1.728 2.723 6.517 1.00 98.47 5 A 1 ATOM 39 O O . PRO A 1 5 ? -0.960 2.849 5.562 1.00 98.26 5 A 1 ATOM 40 C CB . PRO A 1 5 ? -2.256 4.659 8.033 1.00 97.79 5 A 1 ATOM 41 C CG . PRO A 1 5 ? -3.516 5.029 8.748 1.00 96.98 5 A 1 ATOM 42 C CD . PRO A 1 5 ? -4.425 3.841 8.588 1.00 97.77 5 A 1 ATOM 43 N N . VAL A 1 6 ? -1.726 1.638 7.294 1.00 98.49 6 A 1 ATOM 44 C CA . VAL A 1 6 ? -0.814 0.524 7.062 1.00 98.58 6 A 1 ATOM 45 C C . VAL A 1 6 ? -1.123 -0.131 5.721 1.00 98.67 6 A 1 ATOM 46 O O . VAL A 1 6 ? -0.219 -0.433 4.938 1.00 98.51 6 A 1 ATOM 47 C CB . VAL A 1 6 ? -0.908 -0.519 8.189 1.00 98.41 6 A 1 ATOM 48 C CG1 . VAL A 1 6 ? -0.059 -1.739 7.860 1.00 97.13 6 A 1 ATOM 49 C CG2 . VAL A 1 6 ? -0.462 0.094 9.508 1.00 96.87 6 A 1 ATOM 50 N N . VAL A 1 7 ? -2.405 -0.342 5.450 1.00 98.39 7 A 1 ATOM 51 C CA . VAL A 1 7 ? -2.832 -0.943 4.190 1.00 98.40 7 A 1 ATOM 52 C C . VAL A 1 7 ? -2.422 -0.060 3.019 1.00 98.51 7 A 1 ATOM 53 O O . VAL A 1 7 ? -1.980 -0.553 1.977 1.00 98.45 7 A 1 ATOM 54 C CB . VAL A 1 7 ? -4.354 -1.157 4.172 1.00 98.11 7 A 1 ATOM 55 C CG1 . VAL A 1 7 ? -4.813 -1.646 2.804 1.00 96.59 7 A 1 ATOM 56 C CG2 . VAL A 1 7 ? -4.752 -2.149 5.250 1.00 96.60 7 A 1 ATOM 57 N N . ALA A 1 8 ? -2.570 1.251 3.189 1.00 98.29 8 A 1 ATOM 58 C CA . ALA A 1 8 ? -2.200 2.206 2.153 1.00 98.17 8 A 1 ATOM 59 C C . ALA A 1 8 ? -0.708 2.120 1.847 1.00 98.38 8 A 1 ATOM 60 O O . ALA A 1 8 ? -0.297 2.194 0.687 1.00 98.08 8 A 1 ATOM 61 C CB . ALA A 1 8 ? -2.556 3.619 2.599 1.00 97.72 8 A 1 ATOM 62 N N . ALA A 1 9 ? 0.103 1.962 2.888 1.00 98.32 9 A 1 ATOM 63 C CA . ALA A 1 9 ? 1.547 1.853 2.727 1.00 98.25 9 A 1 ATOM 64 C C . ALA A 1 9 ? 1.911 0.592 1.950 1.00 98.42 9 A 1 ATOM 65 O O . ALA A 1 9 ? 2.771 0.618 1.067 1.00 97.96 9 A 1 ATOM 66 C CB . ALA A 1 9 ? 2.229 1.843 4.091 1.00 97.85 9 A 1 ATOM 67 N N . VAL A 1 10 ? 1.245 -0.515 2.273 1.00 98.39 10 A 1 ATOM 68 C CA . VAL A 1 10 ? 1.484 -1.784 1.593 1.00 98.41 10 A 1 ATOM 69 C C . VAL A 1 10 ? 1.094 -1.677 0.125 1.00 98.53 10 A 1 ATOM 70 O O . VAL A 1 10 ? 1.799 -2.171 -0.760 1.00 98.30 10 A 1 ATOM 71 C CB . VAL A 1 10 ? 0.696 -2.926 2.258 1.00 98.12 10 A 1 ATOM 72 C CG1 . VAL A 1 10 ? 0.842 -4.214 1.464 1.00 96.53 10 A 1 ATOM 73 C CG2 . VAL A 1 10 ? 1.176 -3.127 3.685 1.00 96.55 10 A 1 ATOM 74 N N . THR A 1 11 ? -0.031 -1.020 -0.132 1.00 98.29 11 A 1 ATOM 75 C CA . THR A 1 11 ? -0.512 -0.836 -1.496 1.00 98.19 11 A 1 ATOM 76 C C . THR A 1 11 ? 0.497 -0.036 -2.313 1.00 98.43 11 A 1 ATOM 77 O O . THR A 1 11 ? 0.779 -0.366 -3.468 1.00 98.28 11 A 1 ATOM 78 C CB . THR A 1 11 ? -1.860 -0.100 -1.505 1.00 97.72 11 A 1 ATOM 79 O OG1 . THR A 1 11 ? -2.824 -0.846 -0.771 1.00 94.37 11 A 1 ATOM 80 C CG2 . THR A 1 11 ? -2.359 0.089 -2.933 1.00 93.66 11 A 1 ATOM 81 N N . ALA A 1 12 ? 1.042 1.025 -1.710 1.00 98.59 12 A 1 ATOM 82 C CA . ALA A 1 12 ? 2.030 1.859 -2.383 1.00 98.45 12 A 1 ATOM 83 C C . ALA A 1 12 ? 3.270 1.045 -2.735 1.00 98.57 12 A 1 ATOM 84 O O . ALA A 1 12 ? 3.827 1.179 -3.827 1.00 98.13 12 A 1 ATOM 85 C CB . ALA A 1 12 ? 2.417 3.035 -1.492 1.00 98.02 12 A 1 ATOM 86 N N . ALA A 1 13 ? 3.696 0.194 -1.803 1.00 98.56 13 A 1 ATOM 87 C CA . ALA A 1 13 ? 4.863 -0.654 -2.025 1.00 98.48 13 A 1 ATOM 88 C C . ALA A 1 13 ? 4.613 -1.620 -3.179 1.00 98.58 13 A 1 ATOM 89 O O . ALA A 1 13 ? 5.494 -1.864 -4.005 1.00 98.10 13 A 1 ATOM 90 C CB . ALA A 1 13 ? 5.200 -1.429 -0.754 1.00 98.16 13 A 1 ATOM 91 N N . PHE A 1 14 ? 3.398 -2.169 -3.240 1.00 98.66 14 A 1 ATOM 92 C CA . PHE A 1 14 ? 3.017 -3.093 -4.303 1.00 98.62 14 A 1 ATOM 93 C C . PHE A 1 14 ? 3.088 -2.412 -5.666 1.00 98.68 14 A 1 ATOM 94 O O . PHE A 1 14 ? 3.565 -2.994 -6.643 1.00 98.38 14 A 1 ATOM 95 C CB . PHE A 1 14 ? 1.599 -3.621 -4.059 1.00 98.38 14 A 1 ATOM 96 C CG . PHE A 1 14 ? 1.126 -4.553 -5.142 1.00 96.84 14 A 1 ATOM 97 C CD1 . PHE A 1 14 ? 1.575 -5.864 -5.183 1.00 95.29 14 A 1 ATOM 98 C CD2 . PHE A 1 14 ? 0.240 -4.120 -6.110 1.00 95.47 14 A 1 ATOM 99 C CE1 . PHE A 1 14 ? 1.151 -6.732 -6.179 1.00 94.11 14 A 1 ATOM 100 C CE2 . PHE A 1 14 ? -0.190 -4.980 -7.117 1.00 93.88 14 A 1 ATOM 101 C CZ . PHE A 1 14 ? 0.268 -6.288 -7.149 1.00 94.32 14 A 1 ATOM 102 N N . LEU A 1 15 ? 2.614 -1.161 -5.728 1.00 98.55 15 A 1 ATOM 103 C CA . LEU A 1 15 ? 2.626 -0.400 -6.973 1.00 98.48 15 A 1 ATOM 104 C C . LEU A 1 15 ? 4.052 -0.152 -7.448 1.00 98.57 15 A 1 ATOM 105 O O . LEU A 1 15 ? 4.322 -0.155 -8.649 1.00 98.20 15 A 1 ATOM 106 C CB . LEU A 1 15 ? 1.902 0.936 -6.779 1.00 98.25 15 A 1 ATOM 107 C CG . LEU A 1 15 ? 0.394 0.799 -6.553 1.00 96.69 15 A 1 ATOM 108 C CD1 . LEU A 1 15 ? -0.212 2.158 -6.223 1.00 95.15 15 A 1 ATOM 109 C CD2 . LEU A 1 15 ? -0.285 0.200 -7.774 1.00 94.87 15 A 1 ATOM 110 N N . VAL A 1 16 ? 4.966 0.078 -6.508 1.00 98.56 16 A 1 ATOM 111 C CA . VAL A 1 16 ? 6.367 0.312 -6.837 1.00 98.45 16 A 1 ATOM 112 C C . VAL A 1 16 ? 6.998 -0.950 -7.418 1.00 98.53 16 A 1 ATOM 113 O O . VAL A 1 16 ? 7.754 -0.893 -8.395 1.00 98.09 16 A 1 ATOM 114 C CB . VAL A 1 16 ? 7.162 0.768 -5.599 1.00 97.99 16 A 1 ATOM 115 C CG1 . VAL A 1 16 ? 8.650 0.879 -5.924 1.00 95.98 16 A 1 ATOM 116 C CG2 . VAL A 1 16 ? 6.636 2.101 -5.096 1.00 96.14 16 A 1 ATOM 117 N N . VAL A 1 17 ? 6.692 -2.097 -6.807 1.00 98.28 17 A 1 ATOM 118 C CA . VAL A 1 17 ? 7.230 -3.378 -7.262 1.00 98.14 17 A 1 ATOM 119 C C . VAL A 1 17 ? 6.651 -3.770 -8.616 1.00 98.26 17 A 1 ATOM 120 O O . VAL A 1 17 ? 7.369 -4.263 -9.496 1.00 97.59 17 A 1 ATOM 121 C CB . VAL A 1 17 ? 6.942 -4.493 -6.238 1.00 97.32 17 A 1 ATOM 122 C CG1 . VAL A 1 17 ? 7.395 -5.848 -6.772 1.00 93.52 17 A 1 ATOM 123 C CG2 . VAL A 1 17 ? 7.641 -4.192 -4.921 1.00 93.71 17 A 1 ATOM 124 N N . ALA A 1 18 ? 5.342 -3.561 -8.781 1.00 96.52 18 A 1 ATOM 125 C CA . ALA A 1 18 ? 4.657 -3.918 -10.016 1.00 95.37 18 A 1 ATOM 126 C C . ALA A 1 18 ? 4.973 -2.934 -11.143 1.00 94.04 18 A 1 ATOM 127 O O . ALA A 1 18 ? 5.375 -1.796 -10.865 1.00 91.46 18 A 1 ATOM 128 C CB . ALA A 1 18 ? 3.148 -3.990 -9.769 1.00 92.80 18 A 1 ATOM 129 O OXT . ALA A 1 18 ? 4.811 -3.289 -12.316 1.00 85.84 18 A 1 #