# 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_spkb18625 # _entry.id spkb18625 # 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 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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" # _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 TRP 3 1 n SER 4 1 n ARG 5 1 n SER 6 1 n ILE 7 1 n LEU 8 1 n CYS 9 1 n LEU 10 1 n LEU 11 1 n GLY 12 1 n ALA 13 1 n PHE 14 1 n ALA 15 1 n ASN 16 1 n ALA 17 # _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 16:18:15)" _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 91.41 _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 75.07 1 1 A SER 2 2 86.00 1 2 A TRP 3 2 87.24 1 3 A SER 4 2 94.00 1 4 A ARG 5 2 85.75 1 5 A SER 6 2 95.27 1 6 A ILE 7 2 94.56 1 7 A LEU 8 2 95.41 1 8 A CYS 9 2 95.42 1 9 A LEU 10 2 95.43 1 10 A LEU 11 2 95.75 1 11 A GLY 12 2 97.47 1 12 A ALA 13 2 97.51 1 13 A PHE 14 2 93.82 1 14 A ALA 15 2 96.93 1 15 A ASN 16 2 91.84 1 16 A ALA 17 2 88.96 1 17 # _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 TRP . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n ASN . 16 A 16 A 17 1 n ALA . 17 A 17 # _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 ? 5.988 -4.372 13.716 1.00 81.32 1 A 1 ATOM 2 C CA . MET A 1 1 ? 5.893 -3.354 12.652 1.00 81.84 1 A 1 ATOM 3 C C . MET A 1 1 ? 5.923 -4.031 11.277 1.00 83.65 1 A 1 ATOM 4 O O . MET A 1 1 ? 6.976 -4.453 10.818 1.00 78.62 1 A 1 ATOM 5 C CB . MET A 1 1 ? 7.066 -2.377 12.766 1.00 75.60 1 A 1 ATOM 6 C CG . MET A 1 1 ? 6.941 -1.465 13.978 1.00 72.22 1 A 1 ATOM 7 S SD . MET A 1 1 ? 8.514 -0.719 14.435 1.00 68.38 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.945 0.586 15.522 1.00 58.91 1 A 1 ATOM 9 N N . SER A 1 2 ? 4.787 -4.134 10.629 1.00 86.53 2 A 1 ATOM 10 C CA . SER A 1 2 ? 4.690 -4.764 9.307 1.00 89.78 2 A 1 ATOM 11 C C . SER A 1 2 ? 4.848 -3.699 8.213 1.00 91.98 2 A 1 ATOM 12 O O . SER A 1 2 ? 3.913 -2.954 7.935 1.00 88.80 2 A 1 ATOM 13 C CB . SER A 1 2 ? 3.354 -5.480 9.162 1.00 84.46 2 A 1 ATOM 14 O OG . SER A 1 2 ? 2.612 -5.483 10.361 1.00 74.47 2 A 1 ATOM 15 N N . TRP A 1 3 ? 6.025 -3.640 7.614 1.00 91.97 3 A 1 ATOM 16 C CA . TRP A 1 3 ? 6.324 -2.634 6.587 1.00 93.13 3 A 1 ATOM 17 C C . TRP A 1 3 ? 5.576 -2.918 5.285 1.00 94.76 3 A 1 ATOM 18 O O . TRP A 1 3 ? 4.854 -2.049 4.787 1.00 93.47 3 A 1 ATOM 19 C CB . TRP A 1 3 ? 7.832 -2.576 6.345 1.00 90.95 3 A 1 ATOM 20 C CG . TRP A 1 3 ? 8.257 -1.324 5.645 1.00 88.42 3 A 1 ATOM 21 C CD1 . TRP A 1 3 ? 8.415 -0.106 6.209 1.00 85.21 3 A 1 ATOM 22 C CD2 . TRP A 1 3 ? 8.575 -1.162 4.237 1.00 88.18 3 A 1 ATOM 23 N NE1 . TRP A 1 3 ? 8.814 0.809 5.250 1.00 83.95 3 A 1 ATOM 24 C CE2 . TRP A 1 3 ? 8.921 0.193 4.037 1.00 87.49 3 A 1 ATOM 25 C CE3 . TRP A 1 3 ? 8.604 -2.039 3.149 1.00 83.12 3 A 1 ATOM 26 C CZ2 . TRP A 1 3 ? 9.288 0.678 2.769 1.00 82.81 3 A 1 ATOM 27 C CZ3 . TRP A 1 3 ? 8.969 -1.548 1.886 1.00 79.07 3 A 1 ATOM 28 C CH2 . TRP A 1 3 ? 9.307 -0.203 1.710 1.00 78.83 3 A 1 ATOM 29 N N . SER A 1 4 ? 5.701 -4.122 4.745 1.00 95.34 4 A 1 ATOM 30 C CA . SER A 1 4 ? 5.048 -4.510 3.488 1.00 96.07 4 A 1 ATOM 31 C C . SER A 1 4 ? 3.530 -4.326 3.546 1.00 96.61 4 A 1 ATOM 32 O O . SER A 1 4 ? 2.916 -3.825 2.607 1.00 95.54 4 A 1 ATOM 33 C CB . SER A 1 4 ? 5.380 -5.963 3.155 1.00 94.58 4 A 1 ATOM 34 O OG . SER A 1 4 ? 6.761 -6.121 2.921 1.00 85.86 4 A 1 ATOM 35 N N . ARG A 1 5 ? 2.928 -4.711 4.650 1.00 94.35 5 A 1 ATOM 36 C CA . ARG A 1 5 ? 1.479 -4.594 4.836 1.00 94.73 5 A 1 ATOM 37 C C . ARG A 1 5 ? 1.049 -3.126 4.915 1.00 95.94 5 A 1 ATOM 38 O O . ARG A 1 5 ? 0.019 -2.761 4.361 1.00 95.33 5 A 1 ATOM 39 C CB . ARG A 1 5 ? 1.076 -5.343 6.110 1.00 93.21 5 A 1 ATOM 40 C CG . ARG A 1 5 ? -0.410 -5.627 6.164 1.00 86.62 5 A 1 ATOM 41 C CD . ARG A 1 5 ? -0.857 -5.804 7.606 1.00 85.11 5 A 1 ATOM 42 N NE . ARG A 1 5 ? -1.647 -7.031 7.786 1.00 79.64 5 A 1 ATOM 43 C CZ . ARG A 1 5 ? -2.008 -7.525 8.958 1.00 77.27 5 A 1 ATOM 44 N NH1 . ARG A 1 5 ? -1.683 -6.934 10.089 1.00 70.50 5 A 1 ATOM 45 N NH2 . ARG A 1 5 ? -2.703 -8.642 9.009 1.00 70.51 5 A 1 ATOM 46 N N . SER A 1 6 ? 1.829 -2.295 5.577 1.00 96.43 6 A 1 ATOM 47 C CA . SER A 1 6 ? 1.533 -0.870 5.723 1.00 96.75 6 A 1 ATOM 48 C C . SER A 1 6 ? 1.577 -0.154 4.369 1.00 97.39 6 A 1 ATOM 49 O O . SER A 1 6 ? 0.680 0.623 4.042 1.00 96.90 6 A 1 ATOM 50 C CB . SER A 1 6 ? 2.523 -0.231 6.694 1.00 96.03 6 A 1 ATOM 51 O OG . SER A 1 6 ? 1.955 0.912 7.281 1.00 88.11 6 A 1 ATOM 52 N N . ILE A 1 7 ? 2.586 -0.454 3.576 1.00 96.32 7 A 1 ATOM 53 C CA . ILE A 1 7 ? 2.756 0.140 2.243 1.00 96.55 7 A 1 ATOM 54 C C . ILE A 1 7 ? 1.618 -0.285 1.318 1.00 97.30 7 A 1 ATOM 55 O O . ILE A 1 7 ? 1.019 0.544 0.634 1.00 97.14 7 A 1 ATOM 56 C CB . ILE A 1 7 ? 4.123 -0.261 1.656 1.00 96.29 7 A 1 ATOM 57 C CG1 . ILE A 1 7 ? 5.275 0.334 2.489 1.00 93.60 7 A 1 ATOM 58 C CG2 . ILE A 1 7 ? 4.246 0.167 0.192 1.00 93.15 7 A 1 ATOM 59 C CD1 . ILE A 1 7 ? 5.357 1.857 2.454 1.00 86.12 7 A 1 ATOM 60 N N . LEU A 1 8 ? 1.307 -1.571 1.303 1.00 97.06 8 A 1 ATOM 61 C CA . LEU A 1 8 ? 0.246 -2.112 0.452 1.00 97.20 8 A 1 ATOM 62 C C . LEU A 1 8 ? -1.123 -1.549 0.840 1.00 97.60 8 A 1 ATOM 63 O O . LEU A 1 8 ? -1.946 -1.263 -0.026 1.00 97.57 8 A 1 ATOM 64 C CB . LEU A 1 8 ? 0.238 -3.641 0.551 1.00 97.16 8 A 1 ATOM 65 C CG . LEU A 1 8 ? -0.151 -4.330 -0.756 1.00 94.11 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? 1.055 -4.430 -1.688 1.00 91.15 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? -0.703 -5.716 -0.473 1.00 91.40 8 A 1 ATOM 68 N N . CYS A 1 9 ? -1.368 -1.389 2.121 1.00 96.56 9 A 1 ATOM 69 C CA . CYS A 1 9 ? -2.639 -0.877 2.631 1.00 96.31 9 A 1 ATOM 70 C C . CYS A 1 9 ? -2.859 0.577 2.204 1.00 96.86 9 A 1 ATOM 71 O O . CYS A 1 9 ? -3.933 0.930 1.717 1.00 96.35 9 A 1 ATOM 72 C CB . CYS A 1 9 ? -2.666 -1.015 4.158 1.00 95.59 9 A 1 ATOM 73 S SG . CYS A 1 9 ? -4.344 -0.929 4.813 1.00 90.82 9 A 1 ATOM 74 N N . LEU A 1 10 ? -1.846 1.401 2.370 1.00 96.87 10 A 1 ATOM 75 C CA . LEU A 1 10 ? -1.929 2.818 2.012 1.00 97.14 10 A 1 ATOM 76 C C . LEU A 1 10 ? -2.013 3.010 0.497 1.00 97.75 10 A 1 ATOM 77 O O . LEU A 1 10 ? -2.907 3.706 0.009 1.00 97.77 10 A 1 ATOM 78 C CB . LEU A 1 10 ? -0.706 3.553 2.578 1.00 97.03 10 A 1 ATOM 79 C CG . LEU A 1 10 ? -0.719 3.690 4.100 1.00 93.95 10 A 1 ATOM 80 C CD1 . LEU A 1 10 ? 0.695 3.919 4.624 1.00 91.27 10 A 1 ATOM 81 C CD2 . LEU A 1 10 ? -1.615 4.845 4.528 1.00 91.66 10 A 1 ATOM 82 N N . LEU A 1 11 ? -1.115 2.383 -0.242 1.00 97.50 11 A 1 ATOM 83 C CA . LEU A 1 11 ? -1.076 2.497 -1.702 1.00 97.43 11 A 1 ATOM 84 C C . LEU A 1 11 ? -2.321 1.892 -2.344 1.00 97.76 11 A 1 ATOM 85 O O . LEU A 1 11 ? -2.902 2.476 -3.255 1.00 97.56 11 A 1 ATOM 86 C CB . LEU A 1 11 ? 0.181 1.805 -2.240 1.00 97.18 11 A 1 ATOM 87 C CG . LEU A 1 11 ? 0.981 2.673 -3.205 1.00 94.82 11 A 1 ATOM 88 C CD1 . LEU A 1 11 ? 1.848 3.670 -2.443 1.00 91.88 11 A 1 ATOM 89 C CD2 . LEU A 1 11 ? 1.849 1.801 -4.093 1.00 91.90 11 A 1 ATOM 90 N N . GLY A 1 12 ? -2.726 0.727 -1.860 1.00 97.55 12 A 1 ATOM 91 C CA . GLY A 1 12 ? -3.894 0.031 -2.390 1.00 97.25 12 A 1 ATOM 92 C C . GLY A 1 12 ? -5.177 0.822 -2.193 1.00 97.72 12 A 1 ATOM 93 O O . GLY A 1 12 ? -6.005 0.898 -3.096 1.00 97.35 12 A 1 ATOM 94 N N . ALA A 1 13 ? -5.349 1.430 -1.029 1.00 97.70 13 A 1 ATOM 95 C CA . ALA A 1 13 ? -6.536 2.226 -0.724 1.00 97.63 13 A 1 ATOM 96 C C . ALA A 1 13 ? -6.659 3.438 -1.653 1.00 97.94 13 A 1 ATOM 97 O O . ALA A 1 13 ? -7.743 3.726 -2.155 1.00 97.27 13 A 1 ATOM 98 C CB . ALA A 1 13 ? -6.495 2.666 0.735 1.00 96.99 13 A 1 ATOM 99 N N . PHE A 1 14 ? -5.558 4.137 -1.887 1.00 97.37 14 A 1 ATOM 100 C CA . PHE A 1 14 ? -5.553 5.312 -2.759 1.00 97.04 14 A 1 ATOM 101 C C . PHE A 1 14 ? -5.717 4.932 -4.227 1.00 97.41 14 A 1 ATOM 102 O O . PHE A 1 14 ? -6.407 5.634 -4.970 1.00 96.72 14 A 1 ATOM 103 C CB . PHE A 1 14 ? -4.262 6.105 -2.557 1.00 96.38 14 A 1 ATOM 104 C CG . PHE A 1 14 ? -4.364 7.103 -1.429 1.00 94.43 14 A 1 ATOM 105 C CD1 . PHE A 1 14 ? -5.021 8.314 -1.624 1.00 90.85 14 A 1 ATOM 106 C CD2 . PHE A 1 14 ? -3.809 6.826 -0.186 1.00 91.08 14 A 1 ATOM 107 C CE1 . PHE A 1 14 ? -5.125 9.240 -0.589 1.00 90.13 14 A 1 ATOM 108 C CE2 . PHE A 1 14 ? -3.913 7.748 0.853 1.00 89.93 14 A 1 ATOM 109 C CZ . PHE A 1 14 ? -4.572 8.956 0.651 1.00 90.71 14 A 1 ATOM 110 N N . ALA A 1 15 ? -5.110 3.841 -4.659 1.00 97.23 15 A 1 ATOM 111 C CA . ALA A 1 15 ? -5.214 3.378 -6.043 1.00 97.25 15 A 1 ATOM 112 C C . ALA A 1 15 ? -6.621 2.869 -6.365 1.00 97.39 15 A 1 ATOM 113 O O . ALA A 1 15 ? -7.090 2.999 -7.496 1.00 96.32 15 A 1 ATOM 114 C CB . ALA A 1 15 ? -4.176 2.286 -6.296 1.00 96.45 15 A 1 ATOM 115 N N . ASN A 1 16 ? -7.292 2.287 -5.381 1.00 96.35 16 A 1 ATOM 116 C CA . ASN A 1 16 ? -8.641 1.741 -5.556 1.00 95.69 16 A 1 ATOM 117 C C . ASN A 1 16 ? -9.715 2.824 -5.481 1.00 95.89 16 A 1 ATOM 118 O O . ASN A 1 16 ? -10.736 2.734 -6.159 1.00 94.42 16 A 1 ATOM 119 C CB . ASN A 1 16 ? -8.894 0.671 -4.490 1.00 93.96 16 A 1 ATOM 120 C CG . ASN A 1 16 ? -9.535 -0.563 -5.068 1.00 90.55 16 A 1 ATOM 121 O OD1 . ASN A 1 16 ? -10.730 -0.769 -4.958 1.00 85.33 16 A 1 ATOM 122 N ND2 . ASN A 1 16 ? -8.741 -1.419 -5.685 1.00 82.55 16 A 1 ATOM 123 N N . ALA A 1 17 ? -9.482 3.844 -4.682 1.00 94.86 17 A 1 ATOM 124 C CA . ALA A 1 17 ? -10.434 4.937 -4.477 1.00 93.02 17 A 1 ATOM 125 C C . ALA A 1 17 ? -10.592 5.795 -5.739 1.00 91.08 17 A 1 ATOM 126 O O . ALA A 1 17 ? -11.742 6.044 -6.150 1.00 85.92 17 A 1 ATOM 127 C CB . ALA A 1 17 ? -9.983 5.796 -3.296 1.00 89.40 17 A 1 ATOM 128 O OXT . ALA A 1 17 ? -9.580 6.219 -6.296 1.00 79.49 17 A 1 #