# 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_spkb08444 # _entry.id spkb08444 # 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" "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 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" "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" "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 ARG 3 1 n PHE 4 1 n GLY 5 1 n LEU 6 1 n PRO 7 1 n ALA 8 1 n LEU 9 1 n LEU 10 1 n CYS 11 1 n THR 12 1 n LEU 13 1 n ALA 14 1 n VAL 15 1 n LEU 16 1 n SER 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 18:19:12)" _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 91.03 _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 73.20 1 1 A ALA 2 2 81.94 1 2 A ARG 3 2 81.00 1 3 A PHE 4 2 84.11 1 4 A GLY 5 2 94.25 1 5 A LEU 6 2 92.91 1 6 A PRO 7 2 95.15 1 7 A ALA 8 2 96.44 1 8 A LEU 9 2 94.91 1 9 A LEU 10 2 94.95 1 10 A CYS 11 2 95.76 1 11 A THR 12 2 95.10 1 12 A LEU 13 2 94.97 1 13 A ALA 14 2 97.73 1 14 A VAL 15 2 96.78 1 15 A LEU 16 2 95.77 1 16 A SER 17 2 95.64 1 17 A ALA 18 2 91.24 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 ALA . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n CYS . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n SER . 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 ? -12.470 -4.604 6.924 1.00 77.41 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.121 -4.202 7.368 1.00 79.29 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.089 -4.403 6.259 1.00 80.78 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.144 -3.632 6.146 1.00 77.28 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.708 -4.991 8.611 1.00 74.03 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.521 -4.579 9.831 1.00 70.28 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.976 -5.404 11.330 1.00 68.13 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.052 -4.614 12.523 1.00 58.39 1 A 1 ATOM 9 N N . ALA A 1 2 ? -10.293 -5.406 5.439 1.00 78.80 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -9.402 -5.658 4.307 1.00 82.98 2 A 1 ATOM 11 C C . ALA A 1 2 ? -9.416 -4.500 3.314 1.00 86.41 2 A 1 ATOM 12 O O . ALA A 1 2 ? -8.462 -4.298 2.562 1.00 82.84 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -9.800 -6.957 3.615 1.00 78.66 2 A 1 ATOM 14 N N . ARG A 1 3 ? -10.489 -3.726 3.340 1.00 87.46 3 A 1 ATOM 15 C CA . ARG A 1 3 ? -10.637 -2.564 2.468 1.00 90.12 3 A 1 ATOM 16 C C . ARG A 1 3 ? -9.711 -1.420 2.859 1.00 91.87 3 A 1 ATOM 17 O O . ARG A 1 3 ? -9.601 -0.446 2.122 1.00 90.02 3 A 1 ATOM 18 C CB . ARG A 1 3 ? -12.089 -2.078 2.465 1.00 87.34 3 A 1 ATOM 19 C CG . ARG A 1 3 ? -13.022 -3.077 1.807 1.00 81.50 3 A 1 ATOM 20 C CD . ARG A 1 3 ? -14.356 -2.432 1.454 1.00 79.70 3 A 1 ATOM 21 N NE . ARG A 1 3 ? -15.173 -2.187 2.647 1.00 74.85 3 A 1 ATOM 22 C CZ . ARG A 1 3 ? -16.371 -1.605 2.620 1.00 72.95 3 A 1 ATOM 23 N NH1 . ARG A 1 3 ? -16.894 -1.179 1.487 1.00 66.80 3 A 1 ATOM 24 N NH2 . ARG A 1 3 ? -17.049 -1.442 3.740 1.00 68.37 3 A 1 ATOM 25 N N . PHE A 1 4 ? -9.053 -1.525 4.009 1.00 87.78 4 A 1 ATOM 26 C CA . PHE A 1 4 ? -8.119 -0.506 4.468 1.00 89.06 4 A 1 ATOM 27 C C . PHE A 1 4 ? -6.679 -1.019 4.461 1.00 91.80 4 A 1 ATOM 28 O O . PHE A 1 4 ? -5.739 -0.232 4.328 1.00 89.41 4 A 1 ATOM 29 C CB . PHE A 1 4 ? -8.505 -0.035 5.872 1.00 87.11 4 A 1 ATOM 30 C CG . PHE A 1 4 ? -9.818 0.709 5.915 1.00 83.78 4 A 1 ATOM 31 C CD1 . PHE A 1 4 ? -9.897 2.011 5.435 1.00 80.60 4 A 1 ATOM 32 C CD2 . PHE A 1 4 ? -10.954 0.114 6.438 1.00 79.38 4 A 1 ATOM 33 C CE1 . PHE A 1 4 ? -11.096 2.708 5.474 1.00 78.55 4 A 1 ATOM 34 C CE2 . PHE A 1 4 ? -12.161 0.806 6.478 1.00 78.68 4 A 1 ATOM 35 C CZ . PHE A 1 4 ? -12.231 2.106 5.996 1.00 79.02 4 A 1 ATOM 36 N N . GLY A 1 5 ? -6.499 -2.325 4.599 1.00 92.83 5 A 1 ATOM 37 C CA . GLY A 1 5 ? -5.166 -2.922 4.630 1.00 94.03 5 A 1 ATOM 38 C C . GLY A 1 5 ? -4.530 -3.043 3.261 1.00 95.44 5 A 1 ATOM 39 O O . GLY A 1 5 ? -3.378 -2.656 3.063 1.00 94.70 5 A 1 ATOM 40 N N . LEU A 1 6 ? -5.281 -3.576 2.297 1.00 94.72 6 A 1 ATOM 41 C CA . LEU A 1 6 ? -4.776 -3.764 0.939 1.00 95.45 6 A 1 ATOM 42 C C . LEU A 1 6 ? -4.404 -2.440 0.262 1.00 96.27 6 A 1 ATOM 43 O O . LEU A 1 6 ? -3.291 -2.312 -0.255 1.00 95.93 6 A 1 ATOM 44 C CB . LEU A 1 6 ? -5.795 -4.543 0.097 1.00 94.94 6 A 1 ATOM 45 C CG . LEU A 1 6 ? -5.156 -5.322 -1.047 1.00 91.34 6 A 1 ATOM 46 C CD1 . LEU A 1 6 ? -4.595 -6.645 -0.549 1.00 87.93 6 A 1 ATOM 47 C CD2 . LEU A 1 6 ? -6.177 -5.565 -2.151 1.00 86.69 6 A 1 ATOM 48 N N . PRO A 1 7 ? -5.296 -1.447 0.249 1.00 95.67 7 A 1 ATOM 49 C CA . PRO A 1 7 ? -4.977 -0.161 -0.387 1.00 95.76 7 A 1 ATOM 50 C C . PRO A 1 7 ? -3.848 0.568 0.327 1.00 96.45 7 A 1 ATOM 51 O O . PRO A 1 7 ? -3.069 1.269 -0.320 1.00 95.88 7 A 1 ATOM 52 C CB . PRO A 1 7 ? -6.289 0.628 -0.312 1.00 94.48 7 A 1 ATOM 53 C CG . PRO A 1 7 ? -7.062 -0.023 0.779 1.00 92.97 7 A 1 ATOM 54 C CD . PRO A 1 7 ? -6.655 -1.471 0.749 1.00 94.82 7 A 1 ATOM 55 N N . ALA A 1 8 ? -3.738 0.393 1.634 1.00 96.25 8 A 1 ATOM 56 C CA . ALA A 1 8 ? -2.660 1.003 2.404 1.00 96.55 8 A 1 ATOM 57 C C . ALA A 1 8 ? -1.307 0.421 1.997 1.00 97.10 8 A 1 ATOM 58 O O . ALA A 1 8 ? -0.338 1.158 1.817 1.00 96.40 8 A 1 ATOM 59 C CB . ALA A 1 8 ? -2.902 0.796 3.897 1.00 95.91 8 A 1 ATOM 60 N N . LEU A 1 9 ? -1.252 -0.906 1.823 1.00 96.26 9 A 1 ATOM 61 C CA . LEU A 1 9 ? -0.032 -1.580 1.394 1.00 96.40 9 A 1 ATOM 62 C C . LEU A 1 9 ? 0.346 -1.175 -0.026 1.00 96.89 9 A 1 ATOM 63 O O . LEU A 1 9 ? 1.515 -0.921 -0.312 1.00 96.66 9 A 1 ATOM 64 C CB . LEU A 1 9 ? -0.217 -3.097 1.474 1.00 96.41 9 A 1 ATOM 65 C CG . LEU A 1 9 ? -0.178 -3.648 2.898 1.00 93.62 9 A 1 ATOM 66 C CD1 . LEU A 1 9 ? -0.648 -5.097 2.916 1.00 91.60 9 A 1 ATOM 67 C CD2 . LEU A 1 9 ? 1.232 -3.558 3.469 1.00 91.41 9 A 1 ATOM 68 N N . LEU A 1 10 ? -0.632 -1.089 -0.904 1.00 96.48 10 A 1 ATOM 69 C CA . LEU A 1 10 ? -0.398 -0.669 -2.281 1.00 96.49 10 A 1 ATOM 70 C C . LEU A 1 10 ? 0.115 0.766 -2.337 1.00 96.97 10 A 1 ATOM 71 O O . LEU A 1 10 ? 1.015 1.077 -3.120 1.00 96.79 10 A 1 ATOM 72 C CB . LEU A 1 10 ? -1.688 -0.804 -3.089 1.00 96.26 10 A 1 ATOM 73 C CG . LEU A 1 10 ? -2.063 -2.247 -3.429 1.00 93.55 10 A 1 ATOM 74 C CD1 . LEU A 1 10 ? -3.475 -2.299 -4.006 1.00 91.71 10 A 1 ATOM 75 C CD2 . LEU A 1 10 ? -1.077 -2.843 -4.426 1.00 91.35 10 A 1 ATOM 76 N N . CYS A 1 11 ? -0.434 1.621 -1.504 1.00 96.43 11 A 1 ATOM 77 C CA . CYS A 1 11 ? -0.001 3.012 -1.425 1.00 96.60 11 A 1 ATOM 78 C C . CYS A 1 11 ? 1.437 3.097 -0.921 1.00 97.10 11 A 1 ATOM 79 O O . CYS A 1 11 ? 2.246 3.855 -1.455 1.00 96.44 11 A 1 ATOM 80 C CB . CYS A 1 11 ? -0.942 3.792 -0.506 1.00 95.89 11 A 1 ATOM 81 S SG . CYS A 1 11 ? -0.677 5.571 -0.632 1.00 92.12 11 A 1 ATOM 82 N N . THR A 1 12 ? 1.759 2.291 0.084 1.00 96.24 12 A 1 ATOM 83 C CA . THR A 1 12 ? 3.113 2.246 0.637 1.00 96.35 12 A 1 ATOM 84 C C . THR A 1 12 ? 4.108 1.752 -0.410 1.00 97.16 12 A 1 ATOM 85 O O . THR A 1 12 ? 5.190 2.325 -0.565 1.00 96.79 12 A 1 ATOM 86 C CB . THR A 1 12 ? 3.166 1.331 1.869 1.00 95.77 12 A 1 ATOM 87 O OG1 . THR A 1 12 ? 2.246 1.789 2.846 1.00 92.23 12 A 1 ATOM 88 C CG2 . THR A 1 12 ? 4.556 1.325 2.497 1.00 91.16 12 A 1 ATOM 89 N N . LEU A 1 13 ? 3.739 0.711 -1.150 1.00 96.95 13 A 1 ATOM 90 C CA . LEU A 1 13 ? 4.588 0.177 -2.210 1.00 96.84 13 A 1 ATOM 91 C C . LEU A 1 13 ? 4.789 1.206 -3.319 1.00 97.51 13 A 1 ATOM 92 O O . LEU A 1 13 ? 5.887 1.324 -3.866 1.00 97.22 13 A 1 ATOM 93 C CB . LEU A 1 13 ? 3.963 -1.097 -2.784 1.00 96.41 13 A 1 ATOM 94 C CG . LEU A 1 13 ? 4.063 -2.311 -1.859 1.00 93.20 13 A 1 ATOM 95 C CD1 . LEU A 1 13 ? 3.168 -3.435 -2.357 1.00 90.93 13 A 1 ATOM 96 C CD2 . LEU A 1 13 ? 5.504 -2.799 -1.763 1.00 90.71 13 A 1 ATOM 97 N N . ALA A 1 14 ? 3.754 1.949 -3.641 1.00 97.74 14 A 1 ATOM 98 C CA . ALA A 1 14 ? 3.838 2.999 -4.651 1.00 97.75 14 A 1 ATOM 99 C C . ALA A 1 14 ? 4.798 4.105 -4.213 1.00 98.17 14 A 1 ATOM 100 O O . ALA A 1 14 ? 5.586 4.604 -5.020 1.00 97.75 14 A 1 ATOM 101 C CB . ALA A 1 14 ? 2.448 3.565 -4.920 1.00 97.24 14 A 1 ATOM 102 N N . VAL A 1 15 ? 4.754 4.467 -2.937 1.00 97.94 15 A 1 ATOM 103 C CA . VAL A 1 15 ? 5.649 5.485 -2.382 1.00 97.90 15 A 1 ATOM 104 C C . VAL A 1 15 ? 7.093 4.986 -2.377 1.00 98.13 15 A 1 ATOM 105 O O . VAL A 1 15 ? 8.015 5.729 -2.719 1.00 97.57 15 A 1 ATOM 106 C CB . VAL A 1 15 ? 5.211 5.885 -0.961 1.00 97.23 15 A 1 ATOM 107 C CG1 . VAL A 1 15 ? 6.224 6.812 -0.302 1.00 94.27 15 A 1 ATOM 108 C CG2 . VAL A 1 15 ? 3.857 6.573 -1.004 1.00 94.44 15 A 1 ATOM 109 N N . LEU A 1 16 ? 7.290 3.719 -2.014 1.00 97.96 16 A 1 ATOM 110 C CA . LEU A 1 16 ? 8.623 3.117 -1.998 1.00 97.75 16 A 1 ATOM 111 C C . LEU A 1 16 ? 9.187 2.966 -3.410 1.00 98.02 16 A 1 ATOM 112 O O . LEU A 1 16 ? 10.403 2.993 -3.604 1.00 97.49 16 A 1 ATOM 113 C CB . LEU A 1 16 ? 8.568 1.748 -1.312 1.00 97.23 16 A 1 ATOM 114 C CG . LEU A 1 16 ? 8.367 1.813 0.205 1.00 94.54 16 A 1 ATOM 115 C CD1 . LEU A 1 16 ? 8.062 0.426 0.758 1.00 91.96 16 A 1 ATOM 116 C CD2 . LEU A 1 16 ? 9.605 2.375 0.895 1.00 91.22 16 A 1 ATOM 117 N N . SER A 1 17 ? 8.317 2.801 -4.389 1.00 97.72 17 A 1 ATOM 118 C CA . SER A 1 17 ? 8.717 2.666 -5.786 1.00 97.59 17 A 1 ATOM 119 C C . SER A 1 17 ? 9.161 4.003 -6.378 1.00 97.74 17 A 1 ATOM 120 O O . SER A 1 17 ? 9.905 4.034 -7.363 1.00 96.73 17 A 1 ATOM 121 C CB . SER A 1 17 ? 7.563 2.095 -6.607 1.00 96.31 17 A 1 ATOM 122 O OG . SER A 1 17 ? 7.979 1.816 -7.924 1.00 87.76 17 A 1 ATOM 123 N N . ALA A 1 18 ? 8.716 5.100 -5.773 1.00 96.00 18 A 1 ATOM 124 C CA . ALA A 1 18 ? 9.054 6.443 -6.233 1.00 94.46 18 A 1 ATOM 125 C C . ALA A 1 18 ? 10.439 6.843 -5.730 1.00 93.32 18 A 1 ATOM 126 O O . ALA A 1 18 ? 11.320 7.127 -6.559 1.00 89.77 18 A 1 ATOM 127 C CB . ALA A 1 18 ? 7.997 7.443 -5.774 1.00 91.20 18 A 1 ATOM 128 O OXT . ALA A 1 18 ? 10.630 6.863 -4.511 1.00 82.67 18 A 1 #