# 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_spkb07705 # _entry.id spkb07705 # 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" "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" "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 LYS 2 1 n LYS 3 1 n LEU 4 1 n LEU 5 1 n VAL 6 1 n ALA 7 1 n LEU 8 1 n SER 9 1 n LEU 10 1 n ILE 11 1 n ALA 12 1 n GLY 13 1 n SER 14 1 n LEU 15 1 n THR 16 1 n ALA 17 1 n SER 18 1 n ALA 19 # _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 @ 2025-07-05 22:55:26)" _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 94.28 _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 86.68 1 1 A LYS 2 2 90.96 1 2 A LYS 3 2 93.14 1 3 A LEU 4 2 95.16 1 4 A LEU 5 2 95.60 1 5 A VAL 6 2 97.86 1 6 A ALA 7 2 98.41 1 7 A LEU 8 2 95.58 1 8 A SER 9 2 96.65 1 9 A LEU 10 2 96.11 1 10 A ILE 11 2 96.19 1 11 A ALA 12 2 97.90 1 12 A GLY 13 2 97.47 1 13 A SER 14 2 95.83 1 14 A LEU 15 2 94.55 1 15 A THR 16 2 93.95 1 16 A ALA 17 2 95.31 1 17 A SER 18 2 90.34 1 18 A ALA 19 2 87.99 1 19 # _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 LYS . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ALA . 19 A 19 # _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 ? -15.470 -0.851 3.788 1.00 91.14 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.314 -1.742 3.589 1.00 93.35 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.016 -1.065 4.014 1.00 94.56 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.900 0.154 3.950 1.00 92.18 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.192 -2.132 2.116 1.00 88.71 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.399 -2.911 1.618 1.00 84.27 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.263 -3.321 -0.130 1.00 80.37 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.771 -4.256 -0.346 1.00 68.88 1 A 1 ATOM 9 N N . LYS A 1 2 ? -12.037 -1.865 4.421 1.00 96.29 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -10.733 -1.343 4.823 1.00 97.36 2 A 1 ATOM 11 C C . LYS A 1 2 ? -9.673 -1.693 3.782 1.00 97.86 2 A 1 ATOM 12 O O . LYS A 1 2 ? -8.473 -1.677 4.062 1.00 97.22 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -10.346 -1.909 6.189 1.00 96.27 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -11.297 -1.464 7.283 1.00 90.87 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -10.841 -1.960 8.640 1.00 87.92 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -11.833 -1.553 9.716 1.00 80.50 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -11.972 -0.075 9.796 1.00 74.35 2 A 1 ATOM 18 N N . LYS A 1 3 ? -10.126 -2.016 2.576 1.00 97.78 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -9.227 -2.377 1.481 1.00 98.22 3 A 1 ATOM 20 C C . LYS A 1 3 ? -8.323 -1.211 1.109 1.00 98.41 3 A 1 ATOM 21 O O . LYS A 1 3 ? -7.213 -1.412 0.615 1.00 97.95 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -10.043 -2.802 0.262 1.00 97.79 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -10.723 -4.152 0.448 1.00 94.89 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -9.728 -5.291 0.315 1.00 90.50 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -10.424 -6.644 0.341 1.00 85.21 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -9.463 -7.751 0.096 1.00 77.47 3 A 1 ATOM 27 N N . LEU A 1 4 ? -8.805 0.002 1.340 1.00 98.06 4 A 1 ATOM 28 C CA . LEU A 1 4 ? -8.027 1.198 1.019 1.00 98.32 4 A 1 ATOM 29 C C . LEU A 1 4 ? -6.689 1.189 1.754 1.00 98.54 4 A 1 ATOM 30 O O . LEU A 1 4 ? -5.643 1.471 1.170 1.00 98.28 4 A 1 ATOM 31 C CB . LEU A 1 4 ? -8.822 2.448 1.401 1.00 98.14 4 A 1 ATOM 32 C CG . LEU A 1 4 ? -10.114 2.618 0.606 1.00 92.70 4 A 1 ATOM 33 C CD1 . LEU A 1 4 ? -10.900 3.805 1.136 1.00 88.59 4 A 1 ATOM 34 C CD2 . LEU A 1 4 ? -9.816 2.799 -0.872 1.00 88.69 4 A 1 ATOM 35 N N . LEU A 1 5 ? -6.729 0.858 3.029 1.00 98.30 5 A 1 ATOM 36 C CA . LEU A 1 5 ? -5.513 0.813 3.838 1.00 98.31 5 A 1 ATOM 37 C C . LEU A 1 5 ? -4.587 -0.303 3.369 1.00 98.37 5 A 1 ATOM 38 O O . LEU A 1 5 ? -3.376 -0.116 3.250 1.00 98.10 5 A 1 ATOM 39 C CB . LEU A 1 5 ? -5.883 0.597 5.306 1.00 98.11 5 A 1 ATOM 40 C CG . LEU A 1 5 ? -6.713 1.727 5.905 1.00 93.58 5 A 1 ATOM 41 C CD1 . LEU A 1 5 ? -7.156 1.370 7.314 1.00 90.07 5 A 1 ATOM 42 C CD2 . LEU A 1 5 ? -5.918 3.024 5.918 1.00 89.93 5 A 1 ATOM 43 N N . VAL A 1 6 ? -5.170 -1.463 3.093 1.00 98.60 6 A 1 ATOM 44 C CA . VAL A 1 6 ? -4.394 -2.616 2.635 1.00 98.50 6 A 1 ATOM 45 C C . VAL A 1 6 ? -3.754 -2.332 1.282 1.00 98.46 6 A 1 ATOM 46 O O . VAL A 1 6 ? -2.576 -2.628 1.061 1.00 98.17 6 A 1 ATOM 47 C CB . VAL A 1 6 ? -5.284 -3.863 2.527 1.00 98.22 6 A 1 ATOM 48 C CG1 . VAL A 1 6 ? -4.479 -5.051 2.010 1.00 96.54 6 A 1 ATOM 49 C CG2 . VAL A 1 6 ? -5.891 -4.189 3.883 1.00 96.51 6 A 1 ATOM 50 N N . ALA A 1 7 ? -4.538 -1.762 0.371 1.00 98.51 7 A 1 ATOM 51 C CA . ALA A 1 7 ? -4.046 -1.449 -0.967 1.00 98.46 7 A 1 ATOM 52 C C . ALA A 1 7 ? -2.878 -0.472 -0.904 1.00 98.51 7 A 1 ATOM 53 O O . ALA A 1 7 ? -1.851 -0.673 -1.553 1.00 98.23 7 A 1 ATOM 54 C CB . ALA A 1 7 ? -5.173 -0.859 -1.810 1.00 98.33 7 A 1 ATOM 55 N N . LEU A 1 8 ? -3.033 0.571 -0.118 1.00 98.29 8 A 1 ATOM 56 C CA . LEU A 1 8 ? -1.981 1.576 0.016 1.00 98.18 8 A 1 ATOM 57 C C . LEU A 1 8 ? -0.714 0.964 0.604 1.00 98.29 8 A 1 ATOM 58 O O . LEU A 1 8 ? 0.394 1.224 0.131 1.00 98.07 8 A 1 ATOM 59 C CB . LEU A 1 8 ? -2.465 2.717 0.907 1.00 97.88 8 A 1 ATOM 60 C CG . LEU A 1 8 ? -1.474 3.876 0.993 1.00 93.38 8 A 1 ATOM 61 C CD1 . LEU A 1 8 ? -1.333 4.557 -0.358 1.00 89.77 8 A 1 ATOM 62 C CD2 . LEU A 1 8 ? -1.919 4.883 2.043 1.00 90.75 8 A 1 ATOM 63 N N . SER A 1 9 ? -0.885 0.159 1.626 1.00 98.19 9 A 1 ATOM 64 C CA . SER A 1 9 ? 0.249 -0.483 2.288 1.00 98.07 9 A 1 ATOM 65 C C . SER A 1 9 ? 0.970 -1.437 1.339 1.00 98.21 9 A 1 ATOM 66 O O . SER A 1 9 ? 2.200 -1.453 1.275 1.00 97.80 9 A 1 ATOM 67 C CB . SER A 1 9 ? -0.225 -1.248 3.522 1.00 97.70 9 A 1 ATOM 68 O OG . SER A 1 9 ? 0.869 -1.854 4.171 1.00 89.96 9 A 1 ATOM 69 N N . LEU A 1 10 ? 0.199 -2.223 0.605 1.00 98.28 10 A 1 ATOM 70 C CA . LEU A 1 10 ? 0.774 -3.185 -0.337 1.00 98.23 10 A 1 ATOM 71 C C . LEU A 1 10 ? 1.557 -2.477 -1.434 1.00 98.30 10 A 1 ATOM 72 O O . LEU A 1 10 ? 2.681 -2.868 -1.764 1.00 97.83 10 A 1 ATOM 73 C CB . LEU A 1 10 ? -0.336 -4.029 -0.960 1.00 98.03 10 A 1 ATOM 74 C CG . LEU A 1 10 ? 0.191 -5.168 -1.835 1.00 94.33 10 A 1 ATOM 75 C CD1 . LEU A 1 10 ? 0.922 -6.197 -0.983 1.00 91.66 10 A 1 ATOM 76 C CD2 . LEU A 1 10 ? -0.952 -5.837 -2.587 1.00 92.22 10 A 1 ATOM 77 N N . ILE A 1 11 ? 0.956 -1.444 -2.006 1.00 97.84 11 A 1 ATOM 78 C CA . ILE A 1 11 ? 1.604 -0.681 -3.071 1.00 97.60 11 A 1 ATOM 79 C C . ILE A 1 11 ? 2.879 -0.026 -2.562 1.00 97.62 11 A 1 ATOM 80 O O . ILE A 1 11 ? 3.914 -0.042 -3.229 1.00 97.19 11 A 1 ATOM 81 C CB . ILE A 1 11 ? 0.655 0.384 -3.629 1.00 97.32 11 A 1 ATOM 82 C CG1 . ILE A 1 11 ? -0.566 -0.285 -4.273 1.00 95.54 11 A 1 ATOM 83 C CG2 . ILE A 1 11 ? 1.381 1.254 -4.656 1.00 94.84 11 A 1 ATOM 84 C CD1 . ILE A 1 11 ? -0.202 -1.190 -5.436 1.00 91.53 11 A 1 ATOM 85 N N . ALA A 1 12 ? 2.799 0.560 -1.392 1.00 98.28 12 A 1 ATOM 86 C CA . ALA A 1 12 ? 3.955 1.222 -0.797 1.00 98.13 12 A 1 ATOM 87 C C . ALA A 1 12 ? 5.101 0.239 -0.603 1.00 98.15 12 A 1 ATOM 88 O O . ALA A 1 12 ? 6.258 0.554 -0.881 1.00 97.31 12 A 1 ATOM 89 C CB . ALA A 1 12 ? 3.567 1.843 0.537 1.00 97.61 12 A 1 ATOM 90 N N . GLY A 1 13 ? 4.781 -0.952 -0.132 1.00 97.64 13 A 1 ATOM 91 C CA . GLY A 1 13 ? 5.800 -1.974 0.077 1.00 97.37 13 A 1 ATOM 92 C C . GLY A 1 13 ? 6.444 -2.411 -1.221 1.00 97.76 13 A 1 ATOM 93 O O . GLY A 1 13 ? 7.660 -2.587 -1.299 1.00 97.09 13 A 1 ATOM 94 N N . SER A 1 14 ? 5.631 -2.585 -2.263 1.00 97.85 14 A 1 ATOM 95 C CA . SER A 1 14 ? 6.134 -2.999 -3.572 1.00 97.80 14 A 1 ATOM 96 C C . SER A 1 14 ? 7.025 -1.923 -4.181 1.00 97.94 14 A 1 ATOM 97 O O . SER A 1 14 ? 8.076 -2.222 -4.750 1.00 96.45 14 A 1 ATOM 98 C CB . SER A 1 14 ? 4.979 -3.291 -4.525 1.00 96.94 14 A 1 ATOM 99 O OG . SER A 1 14 ? 5.475 -3.722 -5.773 1.00 87.98 14 A 1 ATOM 100 N N . LEU A 1 15 ? 6.607 -0.681 -4.063 1.00 97.47 15 A 1 ATOM 101 C CA . LEU A 1 15 ? 7.365 0.439 -4.617 1.00 97.38 15 A 1 ATOM 102 C C . LEU A 1 15 ? 8.719 0.566 -3.936 1.00 97.64 15 A 1 ATOM 103 O O . LEU A 1 15 ? 9.747 0.734 -4.599 1.00 96.85 15 A 1 ATOM 104 C CB . LEU A 1 15 ? 6.566 1.735 -4.473 1.00 96.86 15 A 1 ATOM 105 C CG . LEU A 1 15 ? 7.158 2.904 -5.262 1.00 92.98 15 A 1 ATOM 106 C CD1 . LEU A 1 15 ? 6.052 3.848 -5.703 1.00 88.15 15 A 1 ATOM 107 C CD2 . LEU A 1 15 ? 8.177 3.660 -4.432 1.00 89.09 15 A 1 ATOM 108 N N . THR A 1 16 ? 8.740 0.489 -2.628 1.00 96.70 16 A 1 ATOM 109 C CA . THR A 1 16 ? 9.992 0.613 -1.877 1.00 96.46 16 A 1 ATOM 110 C C . THR A 1 16 ? 10.942 -0.526 -2.216 1.00 96.51 16 A 1 ATOM 111 O O . THR A 1 16 ? 12.160 -0.349 -2.226 1.00 95.18 16 A 1 ATOM 112 C CB . THR A 1 16 ? 9.725 0.635 -0.369 1.00 95.16 16 A 1 ATOM 113 O OG1 . THR A 1 16 ? 10.927 0.997 0.317 1.00 89.49 16 A 1 ATOM 114 C CG2 . THR A 1 16 ? 9.272 -0.716 0.131 1.00 88.12 16 A 1 ATOM 115 N N . ALA A 1 17 ? 10.390 -1.696 -2.510 1.00 96.41 17 A 1 ATOM 116 C CA . ALA A 1 17 ? 11.202 -2.855 -2.868 1.00 95.73 17 A 1 ATOM 117 C C . ALA A 1 17 ? 11.869 -2.652 -4.224 1.00 96.21 17 A 1 ATOM 118 O O . ALA A 1 17 ? 13.023 -3.034 -4.425 1.00 94.27 17 A 1 ATOM 119 C CB . ALA A 1 17 ? 10.338 -4.109 -2.895 1.00 93.92 17 A 1 ATOM 120 N N . SER A 1 18 ? 11.140 -2.050 -5.158 1.00 94.31 18 A 1 ATOM 121 C CA . SER A 1 18 ? 11.665 -1.791 -6.496 1.00 93.80 18 A 1 ATOM 122 C C . SER A 1 18 ? 12.781 -0.750 -6.463 1.00 93.26 18 A 1 ATOM 123 O O . SER A 1 18 ? 13.812 -0.903 -7.118 1.00 88.95 18 A 1 ATOM 124 C CB . SER A 1 18 ? 10.550 -1.312 -7.421 1.00 91.48 18 A 1 ATOM 125 O OG . SER A 1 18 ? 9.617 -2.345 -7.641 1.00 80.23 18 A 1 ATOM 126 N N . ALA A 1 19 ? 12.558 0.315 -5.703 1.00 93.50 19 A 1 ATOM 127 C CA . ALA A 1 19 ? 13.530 1.392 -5.603 1.00 91.37 19 A 1 ATOM 128 C C . ALA A 1 19 ? 14.311 1.293 -4.293 1.00 89.86 19 A 1 ATOM 129 O O . ALA A 1 19 ? 13.683 1.217 -3.225 1.00 85.87 19 A 1 ATOM 130 C CB . ALA A 1 19 ? 12.837 2.746 -5.706 1.00 87.25 19 A 1 ATOM 131 O OXT . ALA A 1 19 ? 15.548 1.299 -4.327 1.00 80.06 19 A 1 #