# 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_spkb12021 # _entry.id spkb12021 # 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" "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" "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 LEU 3 1 n PHE 4 1 n ILE 5 1 n LEU 6 1 n LEU 7 1 n SER 8 1 n CYS 9 1 n LEU 10 1 n LEU 11 1 n ALA 12 1 n TRP 13 1 n VAL 14 1 n LEU 15 1 n ALA 16 # _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 @ 2025-07-09 12:18:53)" _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 95.09 _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 88.34 1 1 A ARG 2 2 87.31 1 2 A LEU 3 2 96.74 1 3 A PHE 4 2 95.38 1 4 A ILE 5 2 97.37 1 5 A LEU 6 2 97.00 1 6 A LEU 7 2 96.81 1 7 A SER 8 2 96.69 1 8 A CYS 9 2 98.16 1 9 A LEU 10 2 96.75 1 10 A LEU 11 2 96.98 1 11 A ALA 12 2 98.56 1 12 A TRP 13 2 95.36 1 13 A VAL 14 2 97.16 1 14 A LEU 15 2 95.61 1 15 A ALA 16 2 91.66 1 16 # _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 LEU . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n SER . 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 ALA . 12 A 12 A 13 1 n TRP . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ALA . 16 A 16 # _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 ? 11.011 3.235 5.053 1.00 94.15 1 A 1 ATOM 2 C CA . MET A 1 1 ? 9.668 2.989 5.604 1.00 94.24 1 A 1 ATOM 3 C C . MET A 1 1 ? 8.767 2.349 4.550 1.00 95.12 1 A 1 ATOM 4 O O . MET A 1 1 ? 8.968 2.564 3.357 1.00 92.34 1 A 1 ATOM 5 C CB . MET A 1 1 ? 9.058 4.303 6.089 1.00 91.20 1 A 1 ATOM 6 C CG . MET A 1 1 ? 9.736 4.832 7.344 1.00 85.15 1 A 1 ATOM 7 S SD . MET A 1 1 ? 9.347 6.548 7.652 1.00 82.47 1 A 1 ATOM 8 C CE . MET A 1 1 ? 10.205 6.830 9.186 1.00 72.02 1 A 1 ATOM 9 N N . ARG A 1 2 ? 7.795 1.564 5.006 1.00 95.15 2 A 1 ATOM 10 C CA . ARG A 1 2 ? 6.891 0.866 4.094 1.00 96.50 2 A 1 ATOM 11 C C . ARG A 1 2 ? 5.446 0.834 4.598 1.00 97.62 2 A 1 ATOM 12 O O . ARG A 1 2 ? 4.601 0.158 4.009 1.00 96.82 2 A 1 ATOM 13 C CB . ARG A 1 2 ? 7.397 -0.561 3.883 1.00 94.96 2 A 1 ATOM 14 C CG . ARG A 1 2 ? 7.321 -1.412 5.136 1.00 88.90 2 A 1 ATOM 15 C CD . ARG A 1 2 ? 8.624 -2.151 5.367 1.00 86.52 2 A 1 ATOM 16 N NE . ARG A 1 2 ? 8.689 -2.741 6.699 1.00 80.97 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? 9.637 -3.588 7.090 1.00 78.98 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? 10.589 -3.962 6.248 1.00 71.43 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? 9.625 -4.057 8.327 1.00 72.51 2 A 1 ATOM 20 N N . LEU A 1 3 ? 5.169 1.539 5.669 1.00 97.95 3 A 1 ATOM 21 C CA . LEU A 1 3 ? 3.824 1.578 6.239 1.00 98.20 3 A 1 ATOM 22 C C . LEU A 1 3 ? 2.823 2.203 5.270 1.00 98.48 3 A 1 ATOM 23 O O . LEU A 1 3 ? 1.732 1.670 5.059 1.00 98.25 3 A 1 ATOM 24 C CB . LEU A 1 3 ? 3.821 2.349 7.576 1.00 98.01 3 A 1 ATOM 25 C CG . LEU A 1 3 ? 4.615 3.648 7.587 1.00 96.26 3 A 1 ATOM 26 C CD1 . LEU A 1 3 ? 3.928 4.681 8.473 1.00 93.47 3 A 1 ATOM 27 C CD2 . LEU A 1 3 ? 6.028 3.401 8.096 1.00 93.29 3 A 1 ATOM 28 N N . PHE A 1 4 ? 3.210 3.318 4.666 1.00 98.19 4 A 1 ATOM 29 C CA . PHE A 1 4 ? 2.345 4.008 3.713 1.00 98.35 4 A 1 ATOM 30 C C . PHE A 1 4 ? 2.228 3.228 2.409 1.00 98.50 4 A 1 ATOM 31 O O . PHE A 1 4 ? 1.191 3.252 1.747 1.00 98.25 4 A 1 ATOM 32 C CB . PHE A 1 4 ? 2.886 5.413 3.438 1.00 98.06 4 A 1 ATOM 33 C CG . PHE A 1 4 ? 2.468 6.419 4.483 1.00 95.98 4 A 1 ATOM 34 C CD1 . PHE A 1 4 ? 3.245 6.646 5.603 1.00 92.97 4 A 1 ATOM 35 C CD2 . PHE A 1 4 ? 1.287 7.132 4.335 1.00 93.11 4 A 1 ATOM 36 C CE1 . PHE A 1 4 ? 2.854 7.568 6.563 1.00 91.67 4 A 1 ATOM 37 C CE2 . PHE A 1 4 ? 0.894 8.055 5.295 1.00 91.98 4 A 1 ATOM 38 C CZ . PHE A 1 4 ? 1.678 8.272 6.412 1.00 92.12 4 A 1 ATOM 39 N N . ILE A 1 5 ? 3.294 2.548 2.049 1.00 98.53 5 A 1 ATOM 40 C CA . ILE A 1 5 ? 3.324 1.763 0.818 1.00 98.47 5 A 1 ATOM 41 C C . ILE A 1 5 ? 2.372 0.575 0.914 1.00 98.54 5 A 1 ATOM 42 O O . ILE A 1 5 ? 1.593 0.311 -0.006 1.00 98.37 5 A 1 ATOM 43 C CB . ILE A 1 5 ? 4.756 1.273 0.518 1.00 98.28 5 A 1 ATOM 44 C CG1 . ILE A 1 5 ? 5.746 2.450 0.511 1.00 96.81 5 A 1 ATOM 45 C CG2 . ILE A 1 5 ? 4.799 0.516 -0.811 1.00 96.71 5 A 1 ATOM 46 C CD1 . ILE A 1 5 ? 5.436 3.513 -0.530 1.00 93.22 5 A 1 ATOM 47 N N . LEU A 1 6 ? 2.454 -0.139 2.023 1.00 98.57 6 A 1 ATOM 48 C CA . LEU A 1 6 ? 1.611 -1.310 2.233 1.00 98.52 6 A 1 ATOM 49 C C . LEU A 1 6 ? 0.144 -0.919 2.399 1.00 98.60 6 A 1 ATOM 50 O O . LEU A 1 6 ? -0.750 -1.600 1.895 1.00 98.49 6 A 1 ATOM 51 C CB . LEU A 1 6 ? 2.087 -2.080 3.469 1.00 98.43 6 A 1 ATOM 52 C CG . LEU A 1 6 ? 3.435 -2.772 3.316 1.00 95.70 6 A 1 ATOM 53 C CD1 . LEU A 1 6 ? 4.021 -3.111 4.675 1.00 93.55 6 A 1 ATOM 54 C CD2 . LEU A 1 6 ? 3.276 -4.042 2.480 1.00 94.13 6 A 1 ATOM 55 N N . LEU A 1 7 ? -0.083 0.160 3.104 1.00 98.59 7 A 1 ATOM 56 C CA . LEU A 1 7 ? -1.445 0.647 3.328 1.00 98.56 7 A 1 ATOM 57 C C . LEU A 1 7 ? -2.083 1.115 2.027 1.00 98.64 7 A 1 ATOM 58 O O . LEU A 1 7 ? -3.250 0.826 1.755 1.00 98.57 7 A 1 ATOM 59 C CB . LEU A 1 7 ? -1.430 1.799 4.340 1.00 98.44 7 A 1 ATOM 60 C CG . LEU A 1 7 ? -2.612 1.805 5.299 1.00 95.25 7 A 1 ATOM 61 C CD1 . LEU A 1 7 ? -2.194 1.277 6.667 1.00 92.62 7 A 1 ATOM 62 C CD2 . LEU A 1 7 ? -3.192 3.199 5.434 1.00 93.85 7 A 1 ATOM 63 N N . SER A 1 8 ? -1.319 1.835 1.235 1.00 98.47 8 A 1 ATOM 64 C CA . SER A 1 8 ? -1.796 2.352 -0.041 1.00 98.41 8 A 1 ATOM 65 C C . SER A 1 8 ? -2.090 1.219 -1.016 1.00 98.51 8 A 1 ATOM 66 O O . SER A 1 8 ? -3.038 1.290 -1.798 1.00 98.33 8 A 1 ATOM 67 C CB . SER A 1 8 ? -0.755 3.300 -0.634 1.00 97.98 8 A 1 ATOM 68 O OG . SER A 1 8 ? -1.310 4.078 -1.658 1.00 88.47 8 A 1 ATOM 69 N N . CYS A 1 9 ? -1.285 0.176 -0.948 1.00 98.67 9 A 1 ATOM 70 C CA . CYS A 1 9 ? -1.448 -0.975 -1.827 1.00 98.66 9 A 1 ATOM 71 C C . CYS A 1 9 ? -2.784 -1.674 -1.567 1.00 98.72 9 A 1 ATOM 72 O O . CYS A 1 9 ? -3.464 -2.096 -2.498 1.00 98.47 9 A 1 ATOM 73 C CB . CYS A 1 9 ? -0.291 -1.955 -1.623 1.00 98.46 9 A 1 ATOM 74 S SG . CYS A 1 9 ? 1.155 -1.567 -2.628 1.00 95.97 9 A 1 ATOM 75 N N . LEU A 1 10 ? -3.135 -1.776 -0.297 1.00 98.36 10 A 1 ATOM 76 C CA . LEU A 1 10 ? -4.382 -2.425 0.087 1.00 98.32 10 A 1 ATOM 77 C C . LEU A 1 10 ? -5.589 -1.599 -0.347 1.00 98.45 10 A 1 ATOM 78 O O . LEU A 1 10 ? -6.599 -2.146 -0.800 1.00 98.25 10 A 1 ATOM 79 C CB . LEU A 1 10 ? -4.400 -2.630 1.602 1.00 98.19 10 A 1 ATOM 80 C CG . LEU A 1 10 ? -4.640 -4.062 2.046 1.00 95.98 10 A 1 ATOM 81 C CD1 . LEU A 1 10 ? -4.067 -4.299 3.434 1.00 92.86 10 A 1 ATOM 82 C CD2 . LEU A 1 10 ? -6.123 -4.383 2.026 1.00 93.62 10 A 1 ATOM 83 N N . LEU A 1 11 ? -5.479 -0.300 -0.204 1.00 98.63 11 A 1 ATOM 84 C CA . LEU A 1 11 ? -6.554 0.606 -0.592 1.00 98.61 11 A 1 ATOM 85 C C . LEU A 1 11 ? -6.779 0.583 -2.097 1.00 98.66 11 A 1 ATOM 86 O O . LEU A 1 11 ? -7.914 0.651 -2.567 1.00 98.50 11 A 1 ATOM 87 C CB . LEU A 1 11 ? -6.226 2.032 -0.145 1.00 98.39 11 A 1 ATOM 88 C CG . LEU A 1 11 ? -7.439 2.829 0.324 1.00 95.65 11 A 1 ATOM 89 C CD1 . LEU A 1 11 ? -7.696 2.573 1.806 1.00 93.36 11 A 1 ATOM 90 C CD2 . LEU A 1 11 ? -7.242 4.307 0.068 1.00 94.06 11 A 1 ATOM 91 N N . ALA A 1 12 ? -5.697 0.493 -2.835 1.00 98.70 12 A 1 ATOM 92 C CA . ALA A 1 12 ? -5.763 0.455 -4.293 1.00 98.65 12 A 1 ATOM 93 C C . ALA A 1 12 ? -6.412 -0.835 -4.784 1.00 98.71 12 A 1 ATOM 94 O O . ALA A 1 12 ? -7.016 -0.864 -5.856 1.00 98.42 12 A 1 ATOM 95 C CB . ALA A 1 12 ? -4.363 0.598 -4.874 1.00 98.32 12 A 1 ATOM 96 N N . TRP A 1 13 ? -6.309 -1.894 -3.989 1.00 98.37 13 A 1 ATOM 97 C CA . TRP A 1 13 ? -6.869 -3.189 -4.347 1.00 98.39 13 A 1 ATOM 98 C C . TRP A 1 13 ? -8.394 -3.139 -4.331 1.00 98.54 13 A 1 ATOM 99 O O . TRP A 1 13 ? -9.053 -3.535 -5.287 1.00 98.14 13 A 1 ATOM 100 C CB . TRP A 1 13 ? -6.365 -4.264 -3.380 1.00 98.11 13 A 1 ATOM 101 C CG . TRP A 1 13 ? -5.772 -5.440 -4.093 1.00 96.82 13 A 1 ATOM 102 C CD1 . TRP A 1 13 ? -4.484 -5.867 -4.015 1.00 93.91 13 A 1 ATOM 103 C CD2 . TRP A 1 13 ? -6.438 -6.339 -4.989 1.00 95.11 13 A 1 ATOM 104 N NE1 . TRP A 1 13 ? -4.311 -6.973 -4.810 1.00 93.29 13 A 1 ATOM 105 C CE2 . TRP A 1 13 ? -5.485 -7.294 -5.424 1.00 94.75 13 A 1 ATOM 106 C CE3 . TRP A 1 13 ? -7.732 -6.451 -5.477 1.00 93.62 13 A 1 ATOM 107 C CZ2 . TRP A 1 13 ? -5.813 -8.319 -6.310 1.00 94.13 13 A 1 ATOM 108 C CZ3 . TRP A 1 13 ? -8.057 -7.476 -6.361 1.00 90.89 13 A 1 ATOM 109 C CH2 . TRP A 1 13 ? -7.100 -8.394 -6.768 1.00 91.04 13 A 1 ATOM 110 N N . VAL A 1 14 ? -8.942 -2.641 -3.246 1.00 98.33 14 A 1 ATOM 111 C CA . VAL A 1 14 ? -10.393 -2.544 -3.109 1.00 98.28 14 A 1 ATOM 112 C C . VAL A 1 14 ? -10.987 -1.553 -4.106 1.00 98.39 14 A 1 ATOM 113 O O . VAL A 1 14 ? -12.138 -1.695 -4.523 1.00 97.81 14 A 1 ATOM 114 C CB . VAL A 1 14 ? -10.780 -2.130 -1.675 1.00 97.79 14 A 1 ATOM 115 C CG1 . VAL A 1 14 ? -10.565 -3.275 -0.710 1.00 94.79 14 A 1 ATOM 116 C CG2 . VAL A 1 14 ? -9.998 -0.908 -1.228 1.00 94.71 14 A 1 ATOM 117 N N . LEU A 1 15 ? -10.211 -0.553 -4.459 1.00 97.91 15 A 1 ATOM 118 C CA . LEU A 1 15 ? -10.656 0.460 -5.413 1.00 97.78 15 A 1 ATOM 119 C C . LEU A 1 15 ? -10.696 -0.085 -6.832 1.00 97.82 15 A 1 ATOM 120 O O . LEU A 1 15 ? -11.572 0.282 -7.623 1.00 96.83 15 A 1 ATOM 121 C CB . LEU A 1 15 ? -9.729 1.679 -5.353 1.00 97.20 15 A 1 ATOM 122 C CG . LEU A 1 15 ? -10.031 2.643 -4.213 1.00 95.53 15 A 1 ATOM 123 C CD1 . LEU A 1 15 ? -8.804 3.464 -3.862 1.00 91.24 15 A 1 ATOM 124 C CD2 . LEU A 1 15 ? -11.182 3.556 -4.601 1.00 90.60 15 A 1 ATOM 125 N N . ALA A 1 16 ? -9.745 -0.952 -7.150 1.00 96.53 16 A 1 ATOM 126 C CA . ALA A 1 16 ? -9.658 -1.542 -8.473 1.00 95.05 16 A 1 ATOM 127 C C . ALA A 1 16 ? -10.639 -2.703 -8.645 1.00 94.14 16 A 1 ATOM 128 O O . ALA A 1 16 ? -11.177 -3.198 -7.639 1.00 90.34 16 A 1 ATOM 129 C CB . ALA A 1 16 ? -8.226 -1.996 -8.745 1.00 91.57 16 A 1 ATOM 130 O OXT . ALA A 1 16 ? -10.859 -3.147 -9.776 1.00 82.33 16 A 1 #