# 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_spkb41572 # _entry.id spkb41572 # 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 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" "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" "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 TYR 2 1 n TRP 3 1 n LYS 4 1 n LYS 5 1 n LEU 6 1 n LEU 7 1 n PHE 8 1 n ALA 9 1 n ILE 10 1 n ALA 11 1 n SER 12 1 n ALA 13 1 n ALA 14 1 n ALA 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 @ 2025-07-09 12:21:41)" _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 93.23 _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 83.52 1 1 A TYR 2 2 90.88 1 2 A TRP 3 2 91.85 1 3 A LYS 4 2 92.24 1 4 A LYS 5 2 91.00 1 5 A LEU 6 2 94.41 1 6 A LEU 7 2 94.97 1 7 A PHE 8 2 94.08 1 8 A ALA 9 2 97.70 1 9 A ILE 10 2 95.77 1 10 A ALA 11 2 97.51 1 11 A SER 12 2 95.98 1 12 A ALA 13 2 97.73 1 13 A ALA 14 2 97.78 1 14 A ALA 15 2 97.59 1 15 A LEU 16 2 93.00 1 16 A ALA 17 2 89.23 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 TYR . 2 A 2 A 3 1 n TRP . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n ALA . 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 ? -5.602 11.841 -2.469 1.00 87.84 1 A 1 ATOM 2 C CA . MET A 1 1 ? -4.439 10.944 -2.402 1.00 90.20 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.656 9.847 -1.369 1.00 92.64 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.025 10.128 -0.234 1.00 89.67 1 A 1 ATOM 5 C CB . MET A 1 1 ? -3.190 11.736 -2.038 1.00 83.64 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.201 11.815 -3.181 1.00 78.57 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.903 12.994 -2.855 1.00 76.51 1 A 1 ATOM 8 C CE . MET A 1 1 ? 0.164 12.701 -4.263 1.00 69.09 1 A 1 ATOM 9 N N . TYR A 1 2 ? -4.440 8.614 -1.768 1.00 93.06 2 A 1 ATOM 10 C CA . TYR A 1 2 ? -4.651 7.468 -0.883 1.00 94.49 2 A 1 ATOM 11 C C . TYR A 1 2 ? -3.350 6.678 -0.738 1.00 96.19 2 A 1 ATOM 12 O O . TYR A 1 2 ? -3.228 5.579 -1.262 1.00 95.19 2 A 1 ATOM 13 C CB . TYR A 1 2 ? -5.744 6.570 -1.450 1.00 93.00 2 A 1 ATOM 14 C CG . TYR A 1 2 ? -6.571 7.247 -2.521 1.00 90.65 2 A 1 ATOM 15 C CD1 . TYR A 1 2 ? -7.274 8.406 -2.234 1.00 89.03 2 A 1 ATOM 16 C CD2 . TYR A 1 2 ? -6.640 6.728 -3.801 1.00 88.70 2 A 1 ATOM 17 C CE1 . TYR A 1 2 ? -8.036 9.036 -3.205 1.00 87.47 2 A 1 ATOM 18 C CE2 . TYR A 1 2 ? -7.400 7.349 -4.778 1.00 87.63 2 A 1 ATOM 19 C CZ . TYR A 1 2 ? -8.095 8.499 -4.473 1.00 88.05 2 A 1 ATOM 20 O OH . TYR A 1 2 ? -8.842 9.120 -5.439 1.00 87.11 2 A 1 ATOM 21 N N . TRP A 1 3 ? -2.393 7.268 -0.025 1.00 95.32 3 A 1 ATOM 22 C CA . TRP A 1 3 ? -1.097 6.633 0.168 1.00 95.92 3 A 1 ATOM 23 C C . TRP A 1 3 ? -1.262 5.300 0.898 1.00 96.76 3 A 1 ATOM 24 O O . TRP A 1 3 ? -0.470 4.382 0.721 1.00 95.77 3 A 1 ATOM 25 C CB . TRP A 1 3 ? -0.181 7.564 0.950 1.00 95.13 3 A 1 ATOM 26 C CG . TRP A 1 3 ? -0.242 7.361 2.423 1.00 93.02 3 A 1 ATOM 27 C CD1 . TRP A 1 3 ? -1.049 7.992 3.302 1.00 90.93 3 A 1 ATOM 28 C CD2 . TRP A 1 3 ? 0.541 6.419 3.189 1.00 92.73 3 A 1 ATOM 29 N NE1 . TRP A 1 3 ? -0.817 7.514 4.573 1.00 89.42 3 A 1 ATOM 30 C CE2 . TRP A 1 3 ? 0.157 6.548 4.523 1.00 91.95 3 A 1 ATOM 31 C CE3 . TRP A 1 3 ? 1.532 5.499 2.848 1.00 88.87 3 A 1 ATOM 32 C CZ2 . TRP A 1 3 ? 0.738 5.778 5.534 1.00 88.74 3 A 1 ATOM 33 C CZ3 . TRP A 1 3 ? 2.109 4.735 3.856 1.00 85.86 3 A 1 ATOM 34 C CH2 . TRP A 1 3 ? 1.709 4.881 5.181 1.00 85.52 3 A 1 ATOM 35 N N . LYS A 1 4 ? -2.304 5.210 1.719 1.00 96.65 4 A 1 ATOM 36 C CA . LYS A 1 4 ? -2.574 3.992 2.482 1.00 97.10 4 A 1 ATOM 37 C C . LYS A 1 4 ? -2.796 2.817 1.539 1.00 97.48 4 A 1 ATOM 38 O O . LYS A 1 4 ? -2.385 1.696 1.818 1.00 97.29 4 A 1 ATOM 39 C CB . LYS A 1 4 ? -3.800 4.202 3.359 1.00 96.74 4 A 1 ATOM 40 C CG . LYS A 1 4 ? -3.570 5.252 4.425 1.00 93.20 4 A 1 ATOM 41 C CD . LYS A 1 4 ? -4.830 5.486 5.227 1.00 89.39 4 A 1 ATOM 42 C CE . LYS A 1 4 ? -4.604 6.584 6.239 1.00 84.97 4 A 1 ATOM 43 N NZ . LYS A 1 4 ? -5.822 6.793 7.070 1.00 77.31 4 A 1 ATOM 44 N N . LYS A 1 5 ? -3.444 3.081 0.425 1.00 96.93 5 A 1 ATOM 45 C CA . LYS A 1 5 ? -3.705 2.042 -0.570 1.00 97.05 5 A 1 ATOM 46 C C . LYS A 1 5 ? -2.391 1.562 -1.172 1.00 97.41 5 A 1 ATOM 47 O O . LYS A 1 5 ? -2.218 0.375 -1.453 1.00 97.08 5 A 1 ATOM 48 C CB . LYS A 1 5 ? -4.618 2.583 -1.660 1.00 96.73 5 A 1 ATOM 49 C CG . LYS A 1 5 ? -5.755 1.635 -1.976 1.00 90.73 5 A 1 ATOM 50 C CD . LYS A 1 5 ? -6.650 2.184 -3.066 1.00 86.27 5 A 1 ATOM 51 C CE . LYS A 1 5 ? -7.635 1.128 -3.546 1.00 82.20 5 A 1 ATOM 52 N NZ . LYS A 1 5 ? -8.814 1.050 -2.648 1.00 74.58 5 A 1 ATOM 53 N N . LEU A 1 6 ? -1.473 2.493 -1.372 1.00 96.51 6 A 1 ATOM 54 C CA . LEU A 1 6 ? -0.158 2.169 -1.916 1.00 96.34 6 A 1 ATOM 55 C C . LEU A 1 6 ? 0.594 1.263 -0.951 1.00 97.22 6 A 1 ATOM 56 O O . LEU A 1 6 ? 1.197 0.272 -1.362 1.00 97.05 6 A 1 ATOM 57 C CB . LEU A 1 6 ? 0.633 3.453 -2.161 1.00 96.30 6 A 1 ATOM 58 C CG . LEU A 1 6 ? 1.754 3.294 -3.178 1.00 92.93 6 A 1 ATOM 59 C CD1 . LEU A 1 6 ? 1.193 3.216 -4.586 1.00 89.18 6 A 1 ATOM 60 C CD2 . LEU A 1 6 ? 2.742 4.441 -3.062 1.00 89.73 6 A 1 ATOM 61 N N . LEU A 1 7 ? 0.550 1.604 0.322 1.00 96.12 7 A 1 ATOM 62 C CA . LEU A 1 7 ? 1.217 0.817 1.354 1.00 96.30 7 A 1 ATOM 63 C C . LEU A 1 7 ? 0.634 -0.589 1.412 1.00 97.11 7 A 1 ATOM 64 O O . LEU A 1 7 ? 1.367 -1.575 1.519 1.00 97.36 7 A 1 ATOM 65 C CB . LEU A 1 7 ? 1.059 1.508 2.706 1.00 96.31 7 A 1 ATOM 66 C CG . LEU A 1 7 ? 1.297 0.594 3.896 1.00 93.87 7 A 1 ATOM 67 C CD1 . LEU A 1 7 ? 2.769 0.221 3.992 1.00 91.47 7 A 1 ATOM 68 C CD2 . LEU A 1 7 ? 0.842 1.260 5.178 1.00 91.25 7 A 1 ATOM 69 N N . PHE A 1 8 ? -0.690 -0.679 1.346 1.00 96.90 8 A 1 ATOM 70 C CA . PHE A 1 8 ? -1.377 -1.962 1.386 1.00 96.77 8 A 1 ATOM 71 C C . PHE A 1 8 ? -0.969 -2.819 0.198 1.00 97.34 8 A 1 ATOM 72 O O . PHE A 1 8 ? -0.747 -4.022 0.330 1.00 97.09 8 A 1 ATOM 73 C CB . PHE A 1 8 ? -2.882 -1.735 1.376 1.00 96.40 8 A 1 ATOM 74 C CG . PHE A 1 8 ? -3.653 -2.980 1.714 1.00 94.07 8 A 1 ATOM 75 C CD1 . PHE A 1 8 ? -3.495 -3.590 2.942 1.00 90.92 8 A 1 ATOM 76 C CD2 . PHE A 1 8 ? -4.532 -3.532 0.795 1.00 92.00 8 A 1 ATOM 77 C CE1 . PHE A 1 8 ? -4.200 -4.741 3.255 1.00 90.64 8 A 1 ATOM 78 C CE2 . PHE A 1 8 ? -5.240 -4.683 1.101 1.00 91.35 8 A 1 ATOM 79 C CZ . PHE A 1 8 ? -5.072 -5.289 2.335 1.00 91.41 8 A 1 ATOM 80 N N . ALA A 1 9 ? -0.885 -2.197 -0.963 1.00 97.62 9 A 1 ATOM 81 C CA . ALA A 1 9 ? -0.496 -2.906 -2.175 1.00 97.67 9 A 1 ATOM 82 C C . ALA A 1 9 ? 0.939 -3.410 -2.070 1.00 98.03 9 A 1 ATOM 83 O O . ALA A 1 9 ? 1.246 -4.523 -2.498 1.00 97.81 9 A 1 ATOM 84 C CB . ALA A 1 9 ? -0.645 -1.986 -3.379 1.00 97.37 9 A 1 ATOM 85 N N . ILE A 1 10 ? 1.804 -2.597 -1.515 1.00 97.64 10 A 1 ATOM 86 C CA . ILE A 1 10 ? 3.211 -2.954 -1.353 1.00 97.42 10 A 1 ATOM 87 C C . ILE A 1 10 ? 3.354 -4.110 -0.377 1.00 97.83 10 A 1 ATOM 88 O O . ILE A 1 10 ? 4.061 -5.082 -0.638 1.00 97.65 10 A 1 ATOM 89 C CB . ILE A 1 10 ? 4.022 -1.746 -0.853 1.00 96.90 10 A 1 ATOM 90 C CG1 . ILE A 1 10 ? 3.858 -0.548 -1.808 1.00 94.86 10 A 1 ATOM 91 C CG2 . ILE A 1 10 ? 5.496 -2.137 -0.711 1.00 94.29 10 A 1 ATOM 92 C CD1 . ILE A 1 10 ? 4.944 -0.403 -2.803 1.00 89.53 10 A 1 ATOM 93 N N . ALA A 1 11 ? 2.685 -3.984 0.757 1.00 97.69 11 A 1 ATOM 94 C CA . ALA A 1 11 ? 2.738 -5.017 1.784 1.00 97.56 11 A 1 ATOM 95 C C . ALA A 1 11 ? 2.163 -6.327 1.263 1.00 97.90 11 A 1 ATOM 96 O O . ALA A 1 11 ? 2.703 -7.403 1.529 1.00 97.39 11 A 1 ATOM 97 C CB . ALA A 1 11 ? 1.976 -4.557 3.019 1.00 97.02 11 A 1 ATOM 98 N N . SER A 1 12 ? 1.070 -6.235 0.517 1.00 97.87 12 A 1 ATOM 99 C CA . SER A 1 12 ? 0.420 -7.409 -0.048 1.00 97.66 12 A 1 ATOM 100 C C . SER A 1 12 ? 1.324 -8.078 -1.074 1.00 97.91 12 A 1 ATOM 101 O O . SER A 1 12 ? 1.428 -9.304 -1.123 1.00 97.45 12 A 1 ATOM 102 C CB . SER A 1 12 ? -0.903 -7.019 -0.695 1.00 96.86 12 A 1 ATOM 103 O OG . SER A 1 12 ? -1.647 -8.158 -1.022 1.00 88.11 12 A 1 ATOM 104 N N . ALA A 1 13 ? 1.976 -7.270 -1.893 1.00 97.93 13 A 1 ATOM 105 C CA . ALA A 1 13 ? 2.885 -7.783 -2.910 1.00 97.83 13 A 1 ATOM 106 C C . ALA A 1 13 ? 4.072 -8.487 -2.268 1.00 98.16 13 A 1 ATOM 107 O O . ALA A 1 13 ? 4.526 -9.524 -2.753 1.00 97.56 13 A 1 ATOM 108 C CB . ALA A 1 13 ? 3.367 -6.643 -3.795 1.00 97.16 13 A 1 ATOM 109 N N . ALA A 1 14 ? 4.579 -7.925 -1.184 1.00 98.13 14 A 1 ATOM 110 C CA . ALA A 1 14 ? 5.713 -8.500 -0.470 1.00 97.93 14 A 1 ATOM 111 C C . ALA A 1 14 ? 5.340 -9.841 0.144 1.00 98.18 14 A 1 ATOM 112 O O . ALA A 1 14 ? 6.165 -10.752 0.213 1.00 97.52 14 A 1 ATOM 113 C CB . ALA A 1 14 ? 6.189 -7.542 0.613 1.00 97.15 14 A 1 ATOM 114 N N . ALA A 1 15 ? 4.098 -9.961 0.599 1.00 97.86 15 A 1 ATOM 115 C CA . ALA A 1 15 ? 3.613 -11.192 1.211 1.00 97.84 15 A 1 ATOM 116 C C . ALA A 1 15 ? 3.433 -12.287 0.166 1.00 98.11 15 A 1 ATOM 117 O O . ALA A 1 15 ? 3.731 -13.455 0.416 1.00 97.10 15 A 1 ATOM 118 C CB . ALA A 1 15 ? 2.295 -10.928 1.936 1.00 97.04 15 A 1 ATOM 119 N N . LEU A 1 16 ? 2.928 -11.906 -0.997 1.00 96.63 16 A 1 ATOM 120 C CA . LEU A 1 16 ? 2.699 -12.856 -2.081 1.00 96.30 16 A 1 ATOM 121 C C . LEU A 1 16 ? 3.989 -13.173 -2.820 1.00 96.82 16 A 1 ATOM 122 O O . LEU A 1 16 ? 4.170 -14.287 -3.322 1.00 95.46 16 A 1 ATOM 123 C CB . LEU A 1 16 ? 1.661 -12.285 -3.046 1.00 95.04 16 A 1 ATOM 124 C CG . LEU A 1 16 ? 0.235 -12.333 -2.508 1.00 91.54 16 A 1 ATOM 125 C CD1 . LEU A 1 16 ? -0.670 -11.414 -3.313 1.00 86.70 16 A 1 ATOM 126 C CD2 . LEU A 1 16 ? -0.289 -13.760 -2.554 1.00 85.51 16 A 1 ATOM 127 N N . ALA A 1 17 ? 4.866 -12.210 -2.896 1.00 94.31 17 A 1 ATOM 128 C CA . ALA A 1 17 ? 6.140 -12.367 -3.593 1.00 92.30 17 A 1 ATOM 129 C C . ALA A 1 17 ? 7.222 -12.745 -2.600 1.00 92.08 17 A 1 ATOM 130 O O . ALA A 1 17 ? 8.029 -13.644 -2.885 1.00 87.07 17 A 1 ATOM 131 C CB . ALA A 1 17 ? 6.496 -11.077 -4.322 1.00 88.42 17 A 1 ATOM 132 O OXT . ALA A 1 17 ? 7.286 -12.124 -1.563 1.00 81.17 17 A 1 #