# 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_spkb10067 # _entry.id spkb10067 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)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" "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 HIS 2 1 n LEU 3 1 n LEU 4 1 n ALA 5 1 n ILE 6 1 n LEU 7 1 n PHE 8 1 n CYS 9 1 n ALA 10 1 n LEU 11 1 n TRP 12 1 n SER 13 1 n ALA 14 1 n VAL 15 1 n LEU 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 @ 2025-07-07 09:52:43)" _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 94.19 _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 84.21 1 1 A HIS 2 2 86.29 1 2 A LEU 3 2 94.31 1 3 A LEU 4 2 95.20 1 4 A ALA 5 2 97.67 1 5 A ILE 6 2 96.70 1 6 A LEU 7 2 95.68 1 7 A PHE 8 2 95.20 1 8 A CYS 9 2 97.16 1 9 A ALA 10 2 98.18 1 10 A LEU 11 2 96.31 1 11 A TRP 12 2 93.63 1 12 A SER 13 2 96.80 1 13 A ALA 14 2 98.48 1 14 A VAL 15 2 97.01 1 15 A LEU 16 2 94.70 1 16 A ALA 17 2 91.12 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 HIS . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n TRP . 12 A 12 A 13 1 n SER . 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 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 ? -15.486 2.163 3.258 1.00 90.46 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.164 2.429 3.856 1.00 90.91 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.138 1.412 3.357 1.00 91.73 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.390 0.212 3.400 1.00 89.45 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.257 2.346 5.377 1.00 86.91 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.194 3.397 5.953 1.00 80.96 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.368 3.234 7.730 1.00 77.04 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.587 4.499 8.046 1.00 66.22 1 A 1 ATOM 9 N N . HIS A 1 2 ? -11.999 1.888 2.891 1.00 93.02 2 A 1 ATOM 10 C CA . HIS A 1 2 ? -10.943 1.019 2.368 1.00 93.90 2 A 1 ATOM 11 C C . HIS A 1 2 ? -9.671 1.148 3.219 1.00 95.45 2 A 1 ATOM 12 O O . HIS A 1 2 ? -8.651 1.659 2.758 1.00 94.47 2 A 1 ATOM 13 C CB . HIS A 1 2 ? -10.645 1.393 0.917 1.00 91.35 2 A 1 ATOM 14 C CG . HIS A 1 2 ? -11.851 1.352 0.034 1.00 86.83 2 A 1 ATOM 15 N ND1 . HIS A 1 2 ? -12.793 2.348 -0.000 1.00 77.22 2 A 1 ATOM 16 C CD2 . HIS A 1 2 ? -12.244 0.420 -0.873 1.00 74.25 2 A 1 ATOM 17 C CE1 . HIS A 1 2 ? -13.731 2.024 -0.884 1.00 78.15 2 A 1 ATOM 18 N NE2 . HIS A 1 2 ? -13.414 0.862 -1.437 1.00 78.22 2 A 1 ATOM 19 N N . LEU A 1 3 ? -9.737 0.698 4.464 1.00 95.36 3 A 1 ATOM 20 C CA . LEU A 1 3 ? -8.596 0.779 5.375 1.00 96.21 3 A 1 ATOM 21 C C . LEU A 1 3 ? -7.511 -0.234 5.018 1.00 97.00 3 A 1 ATOM 22 O O . LEU A 1 3 ? -6.323 0.047 5.161 1.00 96.63 3 A 1 ATOM 23 C CB . LEU A 1 3 ? -9.061 0.563 6.815 1.00 96.03 3 A 1 ATOM 24 C CG . LEU A 1 3 ? -9.844 1.740 7.383 1.00 93.40 3 A 1 ATOM 25 C CD1 . LEU A 1 3 ? -11.341 1.566 7.127 1.00 90.39 3 A 1 ATOM 26 C CD2 . LEU A 1 3 ? -9.585 1.884 8.871 1.00 89.49 3 A 1 ATOM 27 N N . LEU A 1 4 ? -7.919 -1.404 4.538 1.00 96.89 4 A 1 ATOM 28 C CA . LEU A 1 4 ? -6.970 -2.454 4.158 1.00 97.02 4 A 1 ATOM 29 C C . LEU A 1 4 ? -6.066 -2.001 3.016 1.00 97.42 4 A 1 ATOM 30 O O . LEU A 1 4 ? -4.859 -2.239 3.034 1.00 97.47 4 A 1 ATOM 31 C CB . LEU A 1 4 ? -7.736 -3.718 3.748 1.00 96.88 4 A 1 ATOM 32 C CG . LEU A 1 4 ? -8.252 -4.530 4.926 1.00 93.71 4 A 1 ATOM 33 C CD1 . LEU A 1 4 ? -9.349 -5.480 4.476 1.00 91.01 4 A 1 ATOM 34 C CD2 . LEU A 1 4 ? -7.108 -5.310 5.561 1.00 91.17 4 A 1 ATOM 35 N N . ALA A 1 5 ? -6.647 -1.354 2.023 1.00 97.66 5 A 1 ATOM 36 C CA . ALA A 1 5 ? -5.895 -0.874 0.865 1.00 97.72 5 A 1 ATOM 37 C C . ALA A 1 5 ? -4.866 0.179 1.272 1.00 98.00 5 A 1 ATOM 38 O O . ALA A 1 5 ? -3.737 0.179 0.784 1.00 97.69 5 A 1 ATOM 39 C CB . ALA A 1 5 ? -6.856 -0.299 -0.166 1.00 97.30 5 A 1 ATOM 40 N N . ILE A 1 6 ? -5.258 1.070 2.158 1.00 97.92 6 A 1 ATOM 41 C CA . ILE A 1 6 ? -4.373 2.138 2.626 1.00 97.94 6 A 1 ATOM 42 C C . ILE A 1 6 ? -3.211 1.559 3.432 1.00 98.19 6 A 1 ATOM 43 O O . ILE A 1 6 ? -2.063 1.991 3.288 1.00 98.17 6 A 1 ATOM 44 C CB . ILE A 1 6 ? -5.157 3.161 3.474 1.00 97.85 6 A 1 ATOM 45 C CG1 . ILE A 1 6 ? -6.235 3.850 2.635 1.00 96.25 6 A 1 ATOM 46 C CG2 . ILE A 1 6 ? -4.205 4.217 4.048 1.00 95.95 6 A 1 ATOM 47 C CD1 . ILE A 1 6 ? -7.318 4.495 3.479 1.00 91.32 6 A 1 ATOM 48 N N . LEU A 1 7 ? -3.514 0.590 4.277 1.00 97.72 7 A 1 ATOM 49 C CA . LEU A 1 7 ? -2.493 -0.043 5.115 1.00 97.75 7 A 1 ATOM 50 C C . LEU A 1 7 ? -1.432 -0.732 4.263 1.00 97.95 7 A 1 ATOM 51 O O . LEU A 1 7 ? -0.231 -0.565 4.499 1.00 98.01 7 A 1 ATOM 52 C CB . LEU A 1 7 ? -3.152 -1.057 6.053 1.00 97.87 7 A 1 ATOM 53 C CG . LEU A 1 7 ? -2.211 -1.651 7.095 1.00 93.78 7 A 1 ATOM 54 C CD1 . LEU A 1 7 ? -1.816 -0.597 8.124 1.00 90.77 7 A 1 ATOM 55 C CD2 . LEU A 1 7 ? -2.867 -2.830 7.786 1.00 91.56 7 A 1 ATOM 56 N N . PHE A 1 8 ? -1.868 -1.500 3.275 1.00 97.88 8 A 1 ATOM 57 C CA . PHE A 1 8 ? -0.944 -2.206 2.386 1.00 97.76 8 A 1 ATOM 58 C C . PHE A 1 8 ? -0.178 -1.231 1.505 1.00 97.94 8 A 1 ATOM 59 O O . PHE A 1 8 ? 1.013 -1.412 1.252 1.00 97.83 8 A 1 ATOM 60 C CB . PHE A 1 8 ? -1.717 -3.204 1.521 1.00 97.53 8 A 1 ATOM 61 C CG . PHE A 1 8 ? -1.439 -4.631 1.912 1.00 95.40 8 A 1 ATOM 62 C CD1 . PHE A 1 8 ? -1.946 -5.151 3.089 1.00 92.75 8 A 1 ATOM 63 C CD2 . PHE A 1 8 ? -0.659 -5.439 1.097 1.00 93.35 8 A 1 ATOM 64 C CE1 . PHE A 1 8 ? -1.682 -6.462 3.458 1.00 92.20 8 A 1 ATOM 65 C CE2 . PHE A 1 8 ? -0.393 -6.751 1.461 1.00 92.04 8 A 1 ATOM 66 C CZ . PHE A 1 8 ? -0.901 -7.266 2.642 1.00 92.54 8 A 1 ATOM 67 N N . CYS A 1 9 ? -0.854 -0.203 1.033 1.00 97.84 9 A 1 ATOM 68 C CA . CYS A 1 9 ? -0.228 0.808 0.182 1.00 97.85 9 A 1 ATOM 69 C C . CYS A 1 9 ? 0.898 1.522 0.927 1.00 97.99 9 A 1 ATOM 70 O O . CYS A 1 9 ? 1.970 1.762 0.373 1.00 97.41 9 A 1 ATOM 71 C CB . CYS A 1 9 ? -1.276 1.821 -0.282 1.00 97.36 9 A 1 ATOM 72 S SG . CYS A 1 9 ? -0.636 2.936 -1.535 1.00 94.53 9 A 1 ATOM 73 N N . ALA A 1 10 ? 0.645 1.857 2.186 1.00 98.03 10 A 1 ATOM 74 C CA . ALA A 1 10 ? 1.635 2.546 3.008 1.00 98.19 10 A 1 ATOM 75 C C . ALA A 1 10 ? 2.847 1.654 3.270 1.00 98.42 10 A 1 ATOM 76 O O . ALA A 1 10 ? 3.990 2.112 3.218 1.00 98.20 10 A 1 ATOM 77 C CB . ALA A 1 10 ? 1.001 2.974 4.330 1.00 98.04 10 A 1 ATOM 78 N N . LEU A 1 11 ? 2.593 0.383 3.546 1.00 98.17 11 A 1 ATOM 79 C CA . LEU A 1 11 ? 3.662 -0.580 3.808 1.00 98.10 11 A 1 ATOM 80 C C . LEU A 1 11 ? 4.524 -0.782 2.567 1.00 98.12 11 A 1 ATOM 81 O O . LEU A 1 11 ? 5.754 -0.790 2.650 1.00 97.89 11 A 1 ATOM 82 C CB . LEU A 1 11 ? 3.060 -1.919 4.249 1.00 97.99 11 A 1 ATOM 83 C CG . LEU A 1 11 ? 4.087 -2.920 4.775 1.00 94.92 11 A 1 ATOM 84 C CD1 . LEU A 1 11 ? 4.596 -2.497 6.145 1.00 92.68 11 A 1 ATOM 85 C CD2 . LEU A 1 11 ? 3.479 -4.310 4.850 1.00 92.62 11 A 1 ATOM 86 N N . TRP A 1 12 ? 3.885 -0.945 1.422 1.00 98.01 12 A 1 ATOM 87 C CA . TRP A 1 12 ? 4.595 -1.138 0.155 1.00 97.70 12 A 1 ATOM 88 C C . TRP A 1 12 ? 5.409 0.098 -0.203 1.00 97.96 12 A 1 ATOM 89 O O . TRP A 1 12 ? 6.531 -0.007 -0.701 1.00 97.75 12 A 1 ATOM 90 C CB . TRP A 1 12 ? 3.584 -1.456 -0.950 1.00 97.19 12 A 1 ATOM 91 C CG . TRP A 1 12 ? 4.246 -1.927 -2.205 1.00 95.28 12 A 1 ATOM 92 C CD1 . TRP A 1 12 ? 4.142 -1.354 -3.435 1.00 92.20 12 A 1 ATOM 93 C CD2 . TRP A 1 12 ? 5.122 -3.060 -2.358 1.00 94.07 12 A 1 ATOM 94 N NE1 . TRP A 1 12 ? 4.894 -2.065 -4.345 1.00 90.72 12 A 1 ATOM 95 C CE2 . TRP A 1 12 ? 5.507 -3.115 -3.712 1.00 93.21 12 A 1 ATOM 96 C CE3 . TRP A 1 12 ? 5.614 -4.030 -1.482 1.00 90.71 12 A 1 ATOM 97 C CZ2 . TRP A 1 12 ? 6.365 -4.109 -4.201 1.00 91.74 12 A 1 ATOM 98 C CZ3 . TRP A 1 12 ? 6.468 -5.019 -1.970 1.00 86.95 12 A 1 ATOM 99 C CH2 . TRP A 1 12 ? 6.838 -5.045 -3.317 1.00 87.37 12 A 1 ATOM 100 N N . SER A 1 13 ? 4.850 1.269 0.051 1.00 98.33 13 A 1 ATOM 101 C CA . SER A 1 13 ? 5.527 2.535 -0.228 1.00 98.29 13 A 1 ATOM 102 C C . SER A 1 13 ? 6.785 2.675 0.624 1.00 98.44 13 A 1 ATOM 103 O O . SER A 1 13 ? 7.813 3.167 0.156 1.00 98.04 13 A 1 ATOM 104 C CB . SER A 1 13 ? 4.591 3.708 0.044 1.00 97.68 13 A 1 ATOM 105 O OG . SER A 1 13 ? 5.194 4.917 -0.342 1.00 90.02 13 A 1 ATOM 106 N N . ALA A 1 14 ? 6.711 2.233 1.878 1.00 98.51 14 A 1 ATOM 107 C CA . ALA A 1 14 ? 7.842 2.307 2.800 1.00 98.57 14 A 1 ATOM 108 C C . ALA A 1 14 ? 8.986 1.403 2.344 1.00 98.66 14 A 1 ATOM 109 O O . ALA A 1 14 ? 10.157 1.750 2.493 1.00 98.31 14 A 1 ATOM 110 C CB . ALA A 1 14 ? 7.393 1.919 4.205 1.00 98.35 14 A 1 ATOM 111 N N . VAL A 1 15 ? 8.649 0.244 1.787 1.00 98.34 15 A 1 ATOM 112 C CA . VAL A 1 15 ? 9.655 -0.705 1.306 1.00 98.10 15 A 1 ATOM 113 C C . VAL A 1 15 ? 10.445 -0.115 0.144 1.00 98.15 15 A 1 ATOM 114 O O . VAL A 1 15 ? 11.670 -0.255 0.079 1.00 97.55 15 A 1 ATOM 115 C CB . VAL A 1 15 ? 8.998 -2.030 0.876 1.00 97.40 15 A 1 ATOM 116 C CG1 . VAL A 1 15 ? 10.034 -2.975 0.279 1.00 94.94 15 A 1 ATOM 117 C CG2 . VAL A 1 15 ? 8.325 -2.695 2.064 1.00 94.56 15 A 1 ATOM 118 N N . LEU A 1 16 ? 9.753 0.536 -0.776 1.00 97.51 16 A 1 ATOM 119 C CA . LEU A 1 16 ? 10.396 1.152 -1.937 1.00 97.22 16 A 1 ATOM 120 C C . LEU A 1 16 ? 11.155 2.416 -1.553 1.00 97.37 16 A 1 ATOM 121 O O . LEU A 1 16 ? 12.217 2.703 -2.109 1.00 96.55 16 A 1 ATOM 122 C CB . LEU A 1 16 ? 9.339 1.476 -2.994 1.00 96.36 16 A 1 ATOM 123 C CG . LEU A 1 16 ? 8.880 0.258 -3.792 1.00 93.63 16 A 1 ATOM 124 C CD1 . LEU A 1 16 ? 7.539 0.526 -4.455 1.00 90.69 16 A 1 ATOM 125 C CD2 . LEU A 1 16 ? 9.927 -0.103 -4.839 1.00 88.27 16 A 1 ATOM 126 N N . ALA A 1 17 ? 10.597 3.179 -0.616 1.00 96.40 17 A 1 ATOM 127 C CA . ALA A 1 17 ? 11.204 4.427 -0.172 1.00 94.84 17 A 1 ATOM 128 C C . ALA A 1 17 ? 12.451 4.185 0.677 1.00 93.07 17 A 1 ATOM 129 O O . ALA A 1 17 ? 12.520 3.146 1.358 1.00 88.68 17 A 1 ATOM 130 C CB . ALA A 1 17 ? 10.189 5.255 0.605 1.00 91.69 17 A 1 ATOM 131 O OXT . ALA A 1 17 ? 13.347 5.046 0.687 1.00 82.07 17 A 1 #