# 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_spkb22585 # _entry.id spkb22585 # 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" "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "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 ILE 3 1 n TYR 4 1 n SER 5 1 n LEU 6 1 n LEU 7 1 n ILE 8 1 n LEU 9 1 n SER 10 1 n PHE 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n ALA 15 1 n SER 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 02:54:00)" _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 95.48 _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 89.03 1 1 A ARG 2 2 88.53 1 2 A ILE 3 2 96.25 1 3 A TYR 4 2 95.79 1 4 A SER 5 2 97.26 1 5 A LEU 6 2 96.92 1 6 A LEU 7 2 96.68 1 7 A ILE 8 2 97.22 1 8 A LEU 9 2 96.36 1 9 A SER 10 2 97.81 1 10 A PHE 11 2 96.40 1 11 A LEU 12 2 97.62 1 12 A LEU 13 2 97.14 1 13 A LEU 14 2 96.55 1 14 A ALA 15 2 98.40 1 15 A SER 16 2 96.28 1 16 A ALA 17 2 92.56 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 ARG . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n TYR . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n SER . 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 ? -13.019 6.426 -0.418 1.00 95.71 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.629 5.008 -0.333 1.00 95.68 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.179 4.860 0.120 1.00 95.80 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.288 5.483 -0.454 1.00 92.95 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.801 4.347 -1.694 1.00 92.33 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.380 2.954 -1.599 1.00 85.68 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.434 2.576 -2.998 1.00 82.06 1 A 1 ATOM 8 C CE . MET A 1 1 ? -15.808 1.805 -2.167 1.00 72.00 1 A 1 ATOM 9 N N . ARG A 1 2 ? -10.958 4.054 1.146 1.00 95.68 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -9.620 3.849 1.699 1.00 97.08 2 A 1 ATOM 11 C C . ARG A 1 2 ? -8.903 2.659 1.064 1.00 97.80 2 A 1 ATOM 12 O O . ARG A 1 2 ? -7.769 2.355 1.430 1.00 97.03 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -9.720 3.645 3.204 1.00 95.65 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -10.276 4.855 3.940 1.00 90.06 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -9.243 5.968 4.016 1.00 88.78 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -9.771 7.139 4.710 1.00 83.38 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -9.090 8.257 4.896 1.00 79.44 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -7.855 8.373 4.437 1.00 74.37 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -9.641 9.263 5.543 1.00 74.54 2 A 1 ATOM 20 N N . ILE A 1 3 ? -9.546 1.992 0.136 1.00 98.02 3 A 1 ATOM 21 C CA . ILE A 1 3 ? -8.967 0.823 -0.522 1.00 98.16 3 A 1 ATOM 22 C C . ILE A 1 3 ? -7.673 1.178 -1.250 1.00 98.40 3 A 1 ATOM 23 O O . ILE A 1 3 ? -6.686 0.437 -1.173 1.00 98.05 3 A 1 ATOM 24 C CB . ILE A 1 3 ? -9.978 0.182 -1.490 1.00 97.69 3 A 1 ATOM 25 C CG1 . ILE A 1 3 ? -9.360 -1.031 -2.176 1.00 94.82 3 A 1 ATOM 26 C CG2 . ILE A 1 3 ? -10.476 1.183 -2.528 1.00 94.28 3 A 1 ATOM 27 C CD1 . ILE A 1 3 ? -9.124 -2.185 -1.237 1.00 90.62 3 A 1 ATOM 28 N N . TYR A 1 4 ? -7.675 2.304 -1.940 1.00 98.21 4 A 1 ATOM 29 C CA . TYR A 1 4 ? -6.490 2.747 -2.670 1.00 98.27 4 A 1 ATOM 30 C C . TYR A 1 4 ? -5.385 3.176 -1.717 1.00 98.38 4 A 1 ATOM 31 O O . TYR A 1 4 ? -4.203 2.962 -1.986 1.00 98.23 4 A 1 ATOM 32 C CB . TYR A 1 4 ? -6.853 3.900 -3.606 1.00 98.12 4 A 1 ATOM 33 C CG . TYR A 1 4 ? -7.535 3.431 -4.869 1.00 96.24 4 A 1 ATOM 34 C CD1 . TYR A 1 4 ? -6.919 2.505 -5.702 1.00 93.57 4 A 1 ATOM 35 C CD2 . TYR A 1 4 ? -8.779 3.920 -5.224 1.00 94.27 4 A 1 ATOM 36 C CE1 . TYR A 1 4 ? -7.534 2.071 -6.861 1.00 93.69 4 A 1 ATOM 37 C CE2 . TYR A 1 4 ? -9.406 3.494 -6.386 1.00 93.65 4 A 1 ATOM 38 C CZ . TYR A 1 4 ? -8.777 2.567 -7.197 1.00 94.29 4 A 1 ATOM 39 O OH . TYR A 1 4 ? -9.394 2.140 -8.346 1.00 92.56 4 A 1 ATOM 40 N N . SER A 1 5 ? -5.760 3.762 -0.610 1.00 98.48 5 A 1 ATOM 41 C CA . SER A 1 5 ? -4.795 4.204 0.389 1.00 98.57 5 A 1 ATOM 42 C C . SER A 1 5 ? -3.989 3.024 0.928 1.00 98.69 5 A 1 ATOM 43 O O . SER A 1 5 ? -2.770 3.103 1.060 1.00 98.48 5 A 1 ATOM 44 C CB . SER A 1 5 ? -5.517 4.911 1.530 1.00 98.33 5 A 1 ATOM 45 O OG . SER A 1 5 ? -4.610 5.677 2.275 1.00 90.99 5 A 1 ATOM 46 N N . LEU A 1 6 ? -4.673 1.930 1.221 1.00 98.79 6 A 1 ATOM 47 C CA . LEU A 1 6 ? -4.014 0.730 1.728 1.00 98.79 6 A 1 ATOM 48 C C . LEU A 1 6 ? -3.171 0.062 0.649 1.00 98.84 6 A 1 ATOM 49 O O . LEU A 1 6 ? -2.061 -0.402 0.920 1.00 98.72 6 A 1 ATOM 50 C CB . LEU A 1 6 ? -5.064 -0.248 2.250 1.00 98.69 6 A 1 ATOM 51 C CG . LEU A 1 6 ? -5.646 0.139 3.602 1.00 95.76 6 A 1 ATOM 52 C CD1 . LEU A 1 6 ? -6.950 -0.597 3.848 1.00 92.14 6 A 1 ATOM 53 C CD2 . LEU A 1 6 ? -4.653 -0.181 4.714 1.00 93.63 6 A 1 ATOM 54 N N . LEU A 1 7 ? -3.693 0.011 -0.567 1.00 98.65 7 A 1 ATOM 55 C CA . LEU A 1 7 ? -2.980 -0.606 -1.687 1.00 98.67 7 A 1 ATOM 56 C C . LEU A 1 7 ? -1.694 0.143 -2.010 1.00 98.76 7 A 1 ATOM 57 O O . LEU A 1 7 ? -0.637 -0.468 -2.168 1.00 98.73 7 A 1 ATOM 58 C CB . LEU A 1 7 ? -3.887 -0.644 -2.916 1.00 98.61 7 A 1 ATOM 59 C CG . LEU A 1 7 ? -4.660 -1.947 -3.064 1.00 94.93 7 A 1 ATOM 60 C CD1 . LEU A 1 7 ? -5.834 -1.768 -4.008 1.00 91.58 7 A 1 ATOM 61 C CD2 . LEU A 1 7 ? -3.739 -3.044 -3.574 1.00 93.49 7 A 1 ATOM 62 N N . ILE A 1 8 ? -1.785 1.445 -2.113 1.00 98.61 8 A 1 ATOM 63 C CA . ILE A 1 8 ? -0.627 2.273 -2.443 1.00 98.57 8 A 1 ATOM 64 C C . ILE A 1 8 ? 0.439 2.167 -1.359 1.00 98.66 8 A 1 ATOM 65 O O . ILE A 1 8 ? 1.622 1.985 -1.644 1.00 98.63 8 A 1 ATOM 66 C CB . ILE A 1 8 ? -1.052 3.739 -2.643 1.00 98.52 8 A 1 ATOM 67 C CG1 . ILE A 1 8 ? -1.982 3.867 -3.859 1.00 97.10 8 A 1 ATOM 68 C CG2 . ILE A 1 8 ? 0.175 4.632 -2.823 1.00 96.74 8 A 1 ATOM 69 C CD1 . ILE A 1 8 ? -1.302 3.554 -5.181 1.00 90.91 8 A 1 ATOM 70 N N . LEU A 1 9 ? 0.017 2.291 -0.122 1.00 98.64 9 A 1 ATOM 71 C CA . LEU A 1 9 ? 0.948 2.216 1.002 1.00 98.57 9 A 1 ATOM 72 C C . LEU A 1 9 ? 1.598 0.838 1.084 1.00 98.70 9 A 1 ATOM 73 O O . LEU A 1 9 ? 2.806 0.731 1.310 1.00 98.65 9 A 1 ATOM 74 C CB . LEU A 1 9 ? 0.213 2.536 2.303 1.00 98.46 9 A 1 ATOM 75 C CG . LEU A 1 9 ? 1.132 2.752 3.503 1.00 94.31 9 A 1 ATOM 76 C CD1 . LEU A 1 9 ? 1.950 4.028 3.334 1.00 90.80 9 A 1 ATOM 77 C CD2 . LEU A 1 9 ? 0.314 2.823 4.779 1.00 92.73 9 A 1 ATOM 78 N N . SER A 1 10 ? 0.819 -0.205 0.894 1.00 98.65 10 A 1 ATOM 79 C CA . SER A 1 10 ? 1.323 -1.575 0.941 1.00 98.66 10 A 1 ATOM 80 C C . SER A 1 10 ? 2.317 -1.833 -0.183 1.00 98.75 10 A 1 ATOM 81 O O . SER A 1 10 ? 3.352 -2.466 0.023 1.00 98.57 10 A 1 ATOM 82 C CB . SER A 1 10 ? 0.167 -2.565 0.846 1.00 98.41 10 A 1 ATOM 83 O OG . SER A 1 10 ? -0.560 -2.594 2.053 1.00 93.84 10 A 1 ATOM 84 N N . PHE A 1 11 ? 2.000 -1.338 -1.366 1.00 98.70 11 A 1 ATOM 85 C CA . PHE A 1 11 ? 2.872 -1.504 -2.526 1.00 98.73 11 A 1 ATOM 86 C C . PHE A 1 11 ? 4.211 -0.813 -2.303 1.00 98.80 11 A 1 ATOM 87 O O . PHE A 1 11 ? 5.266 -1.373 -2.607 1.00 98.63 11 A 1 ATOM 88 C CB . PHE A 1 11 ? 2.195 -0.940 -3.775 1.00 98.59 11 A 1 ATOM 89 C CG . PHE A 1 11 ? 3.019 -1.124 -5.022 1.00 96.43 11 A 1 ATOM 90 C CD1 . PHE A 1 11 ? 3.110 -2.364 -5.631 1.00 93.85 11 A 1 ATOM 91 C CD2 . PHE A 1 11 ? 3.704 -0.053 -5.567 1.00 95.08 11 A 1 ATOM 92 C CE1 . PHE A 1 11 ? 3.873 -2.539 -6.777 1.00 93.90 11 A 1 ATOM 93 C CE2 . PHE A 1 11 ? 4.477 -0.220 -6.713 1.00 93.63 11 A 1 ATOM 94 C CZ . PHE A 1 11 ? 4.558 -1.466 -7.316 1.00 94.01 11 A 1 ATOM 95 N N . LEU A 1 12 ? 4.161 0.399 -1.774 1.00 98.72 12 A 1 ATOM 96 C CA . LEU A 1 12 ? 5.379 1.161 -1.508 1.00 98.68 12 A 1 ATOM 97 C C . LEU A 1 12 ? 6.238 0.461 -0.460 1.00 98.75 12 A 1 ATOM 98 O O . LEU A 1 12 ? 7.466 0.418 -0.580 1.00 98.52 12 A 1 ATOM 99 C CB . LEU A 1 12 ? 5.020 2.572 -1.036 1.00 98.57 12 A 1 ATOM 100 C CG . LEU A 1 12 ? 4.540 3.504 -2.144 1.00 97.36 12 A 1 ATOM 101 C CD1 . LEU A 1 12 ? 3.863 4.730 -1.551 1.00 95.10 12 A 1 ATOM 102 C CD2 . LEU A 1 12 ? 5.710 3.930 -3.025 1.00 95.29 12 A 1 ATOM 103 N N . LEU A 1 13 ? 5.597 -0.085 0.559 1.00 98.67 13 A 1 ATOM 104 C CA . LEU A 1 13 ? 6.307 -0.798 1.617 1.00 98.61 13 A 1 ATOM 105 C C . LEU A 1 13 ? 6.958 -2.064 1.076 1.00 98.67 13 A 1 ATOM 106 O O . LEU A 1 13 ? 8.090 -2.397 1.445 1.00 98.45 13 A 1 ATOM 107 C CB . LEU A 1 13 ? 5.338 -1.135 2.752 1.00 98.47 13 A 1 ATOM 108 C CG . LEU A 1 13 ? 5.816 -0.645 4.115 1.00 96.63 13 A 1 ATOM 109 C CD1 . LEU A 1 13 ? 4.777 0.259 4.761 1.00 93.71 13 A 1 ATOM 110 C CD2 . LEU A 1 13 ? 6.120 -1.824 5.021 1.00 93.89 13 A 1 ATOM 111 N N . LEU A 1 14 ? 6.260 -2.762 0.200 1.00 98.66 14 A 1 ATOM 112 C CA . LEU A 1 14 ? 6.781 -3.982 -0.411 1.00 98.54 14 A 1 ATOM 113 C C . LEU A 1 14 ? 8.020 -3.684 -1.239 1.00 98.55 14 A 1 ATOM 114 O O . LEU A 1 14 ? 8.988 -4.451 -1.222 1.00 98.06 14 A 1 ATOM 115 C CB . LEU A 1 14 ? 5.707 -4.618 -1.289 1.00 98.28 14 A 1 ATOM 116 C CG . LEU A 1 14 ? 6.110 -5.956 -1.895 1.00 95.72 14 A 1 ATOM 117 C CD1 . LEU A 1 14 ? 6.158 -7.036 -0.821 1.00 92.31 14 A 1 ATOM 118 C CD2 . LEU A 1 14 ? 5.136 -6.341 -2.990 1.00 92.24 14 A 1 ATOM 119 N N . ALA A 1 15 ? 7.994 -2.588 -1.974 1.00 98.70 15 A 1 ATOM 120 C CA . ALA A 1 15 ? 9.127 -2.181 -2.801 1.00 98.57 15 A 1 ATOM 121 C C . ALA A 1 15 ? 10.328 -1.784 -1.945 1.00 98.60 15 A 1 ATOM 122 O O . ALA A 1 15 ? 11.476 -1.978 -2.347 1.00 98.09 15 A 1 ATOM 123 C CB . ALA A 1 15 ? 8.718 -1.023 -3.707 1.00 98.06 15 A 1 ATOM 124 N N . SER A 1 16 ? 10.061 -1.231 -0.783 1.00 98.31 16 A 1 ATOM 125 C CA . SER A 1 16 ? 11.116 -0.811 0.139 1.00 98.14 16 A 1 ATOM 126 C C . SER A 1 16 ? 11.829 -2.010 0.754 1.00 97.97 16 A 1 ATOM 127 O O . SER A 1 16 ? 13.052 -1.998 0.929 1.00 96.00 16 A 1 ATOM 128 C CB . SER A 1 16 ? 10.532 0.072 1.238 1.00 97.08 16 A 1 ATOM 129 O OG . SER A 1 16 ? 11.552 0.571 2.069 1.00 90.18 16 A 1 ATOM 130 N N . ALA A 1 17 ? 11.063 -3.037 1.077 1.00 97.29 17 A 1 ATOM 131 C CA . ALA A 1 17 ? 11.607 -4.241 1.694 1.00 95.89 17 A 1 ATOM 132 C C . ALA A 1 17 ? 11.534 -5.424 0.736 1.00 94.34 17 A 1 ATOM 133 O O . ALA A 1 17 ? 10.429 -5.809 0.342 1.00 91.02 17 A 1 ATOM 134 C CB . ALA A 1 17 ? 10.858 -4.557 2.979 1.00 93.18 17 A 1 ATOM 135 O OXT . ALA A 1 17 ? 12.585 -5.972 0.373 1.00 83.63 17 A 1 #