# 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_spkb34682 # _entry.id spkb34682 # 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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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 THR 2 1 n TYR 3 1 n ARG 4 1 n THR 5 1 n LEU 6 1 n CYS 7 1 n ILE 8 1 n LEU 9 1 n ALA 10 1 n PHE 11 1 n THR 12 1 n ALA 13 1 n LEU 14 1 n ILE 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 @ 2025-07-12 12:35:08)" _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 95.24 _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 85.62 1 1 A THR 2 2 93.15 1 2 A TYR 3 2 95.78 1 3 A ARG 4 2 89.92 1 4 A THR 5 2 96.84 1 5 A LEU 6 2 96.73 1 6 A CYS 7 2 97.60 1 7 A ILE 8 2 97.21 1 8 A LEU 9 2 97.15 1 9 A ALA 10 2 98.41 1 10 A PHE 11 2 96.16 1 11 A THR 12 2 97.47 1 12 A ALA 13 2 98.60 1 13 A LEU 14 2 96.14 1 14 A ILE 15 2 96.19 1 15 A SER 16 2 96.63 1 16 A ALA 17 2 94.27 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 THR . 2 A 2 A 3 1 n TYR . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n CYS . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ILE . 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 ? 0.880 9.072 11.728 1.00 90.65 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.245 7.826 11.024 1.00 92.05 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.832 7.906 9.553 1.00 93.52 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.150 8.569 9.223 1.00 91.53 1 A 1 ATOM 5 C CB . MET A 1 1 ? 0.569 6.626 11.685 1.00 88.33 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.071 6.401 13.108 1.00 83.01 1 A 1 ATOM 7 S SD . MET A 1 1 ? 0.268 5.001 13.899 1.00 77.94 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.133 4.996 15.471 1.00 67.92 1 A 1 ATOM 9 N N . THR A 1 2 ? 1.566 7.246 8.688 1.00 94.77 2 A 1 ATOM 10 C CA . THR A 1 2 ? 1.306 7.292 7.246 1.00 96.35 2 A 1 ATOM 11 C C . THR A 1 2 ? 0.355 6.169 6.809 1.00 97.01 2 A 1 ATOM 12 O O . THR A 1 2 ? 0.761 5.205 6.155 1.00 95.72 2 A 1 ATOM 13 C CB . THR A 1 2 ? 2.628 7.208 6.477 1.00 94.21 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? 3.443 6.183 7.028 1.00 87.20 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? 3.386 8.520 6.530 1.00 86.81 2 A 1 ATOM 16 N N . TYR A 1 3 ? -0.915 6.292 7.166 1.00 98.10 3 A 1 ATOM 17 C CA . TYR A 1 3 ? -1.929 5.294 6.811 1.00 98.23 3 A 1 ATOM 18 C C . TYR A 1 3 ? -2.198 5.278 5.304 1.00 98.37 3 A 1 ATOM 19 O O . TYR A 1 3 ? -2.462 4.223 4.727 1.00 97.97 3 A 1 ATOM 20 C CB . TYR A 1 3 ? -3.227 5.583 7.584 1.00 97.85 3 A 1 ATOM 21 C CG . TYR A 1 3 ? -3.659 4.403 8.433 1.00 95.68 3 A 1 ATOM 22 C CD1 . TYR A 1 3 ? -4.388 3.355 7.875 1.00 94.65 3 A 1 ATOM 23 C CD2 . TYR A 1 3 ? -3.329 4.349 9.788 1.00 94.00 3 A 1 ATOM 24 C CE1 . TYR A 1 3 ? -4.786 2.270 8.654 1.00 93.73 3 A 1 ATOM 25 C CE2 . TYR A 1 3 ? -3.722 3.265 10.577 1.00 93.57 3 A 1 ATOM 26 C CZ . TYR A 1 3 ? -4.455 2.232 10.002 1.00 94.12 3 A 1 ATOM 27 O OH . TYR A 1 3 ? -4.849 1.164 10.774 1.00 93.07 3 A 1 ATOM 28 N N . ARG A 1 4 ? -2.095 6.437 4.658 1.00 97.91 4 A 1 ATOM 29 C CA . ARG A 1 4 ? -2.334 6.554 3.213 1.00 98.11 4 A 1 ATOM 30 C C . ARG A 1 4 ? -1.268 5.806 2.412 1.00 98.37 4 A 1 ATOM 31 O O . ARG A 1 4 ? -1.595 5.105 1.458 1.00 97.94 4 A 1 ATOM 32 C CB . ARG A 1 4 ? -2.370 8.030 2.800 1.00 97.50 4 A 1 ATOM 33 C CG . ARG A 1 4 ? -3.669 8.711 3.219 1.00 92.47 4 A 1 ATOM 34 C CD . ARG A 1 4 ? -3.691 10.158 2.752 1.00 89.07 4 A 1 ATOM 35 N NE . ARG A 1 4 ? -4.990 10.789 3.023 1.00 83.82 4 A 1 ATOM 36 C CZ . ARG A 1 4 ? -5.251 12.079 2.848 1.00 81.98 4 A 1 ATOM 37 N NH1 . ARG A 1 4 ? -4.325 12.911 2.412 1.00 76.40 4 A 1 ATOM 38 N NH2 . ARG A 1 4 ? -6.456 12.545 3.113 1.00 75.53 4 A 1 ATOM 39 N N . THR A 1 5 ? -0.012 5.929 2.800 1.00 98.33 5 A 1 ATOM 40 C CA . THR A 1 5 ? 1.099 5.271 2.103 1.00 98.41 5 A 1 ATOM 41 C C . THR A 1 5 ? 0.995 3.749 2.217 1.00 98.55 5 A 1 ATOM 42 O O . THR A 1 5 ? 1.158 3.034 1.228 1.00 98.28 5 A 1 ATOM 43 C CB . THR A 1 5 ? 2.444 5.741 2.669 1.00 98.14 5 A 1 ATOM 44 O OG1 . THR A 1 5 ? 2.458 7.163 2.769 1.00 93.82 5 A 1 ATOM 45 C CG2 . THR A 1 5 ? 3.596 5.306 1.779 1.00 92.33 5 A 1 ATOM 46 N N . LEU A 1 6 ? 0.699 3.245 3.408 1.00 98.51 6 A 1 ATOM 47 C CA . LEU A 1 6 ? 0.553 1.806 3.634 1.00 98.53 6 A 1 ATOM 48 C C . LEU A 1 6 ? -0.672 1.249 2.907 1.00 98.60 6 A 1 ATOM 49 O O . LEU A 1 6 ? -0.629 0.130 2.394 1.00 98.46 6 A 1 ATOM 50 C CB . LEU A 1 6 ? 0.455 1.526 5.138 1.00 98.43 6 A 1 ATOM 51 C CG . LEU A 1 6 ? 1.782 1.668 5.885 1.00 96.11 6 A 1 ATOM 52 C CD1 . LEU A 1 6 ? 1.540 1.710 7.389 1.00 92.58 6 A 1 ATOM 53 C CD2 . LEU A 1 6 ? 2.718 0.505 5.556 1.00 92.58 6 A 1 ATOM 54 N N . CYS A 1 7 ? -1.737 2.017 2.838 1.00 98.40 7 A 1 ATOM 55 C CA . CYS A 1 7 ? -2.967 1.602 2.163 1.00 98.44 7 A 1 ATOM 56 C C . CYS A 1 7 ? -2.739 1.416 0.658 1.00 98.51 7 A 1 ATOM 57 O O . CYS A 1 7 ? -3.211 0.442 0.070 1.00 98.36 7 A 1 ATOM 58 C CB . CYS A 1 7 ? -4.066 2.638 2.423 1.00 98.21 7 A 1 ATOM 59 S SG . CYS A 1 7 ? -5.696 2.005 1.971 1.00 93.67 7 A 1 ATOM 60 N N . ILE A 1 8 ? -1.995 2.318 0.040 1.00 98.46 8 A 1 ATOM 61 C CA . ILE A 1 8 ? -1.692 2.246 -1.392 1.00 98.43 8 A 1 ATOM 62 C C . ILE A 1 8 ? -0.801 1.037 -1.687 1.00 98.56 8 A 1 ATOM 63 O O . ILE A 1 8 ? -1.052 0.288 -2.635 1.00 98.49 8 A 1 ATOM 64 C CB . ILE A 1 8 ? -1.025 3.554 -1.875 1.00 98.32 8 A 1 ATOM 65 C CG1 . ILE A 1 8 ? -2.001 4.736 -1.748 1.00 97.08 8 A 1 ATOM 66 C CG2 . ILE A 1 8 ? -0.567 3.425 -3.334 1.00 96.80 8 A 1 ATOM 67 C CD1 . ILE A 1 8 ? -1.307 6.091 -1.755 1.00 91.55 8 A 1 ATOM 68 N N . LEU A 1 9 ? 0.225 0.827 -0.873 1.00 98.53 9 A 1 ATOM 69 C CA . LEU A 1 9 ? 1.142 -0.300 -1.056 1.00 98.48 9 A 1 ATOM 70 C C . LEU A 1 9 ? 0.429 -1.638 -0.846 1.00 98.61 9 A 1 ATOM 71 O O . LEU A 1 9 ? 0.663 -2.591 -1.595 1.00 98.53 9 A 1 ATOM 72 C CB . LEU A 1 9 ? 2.322 -0.167 -0.085 1.00 98.33 9 A 1 ATOM 73 C CG . LEU A 1 9 ? 3.306 0.951 -0.443 1.00 95.72 9 A 1 ATOM 74 C CD1 . LEU A 1 9 ? 4.240 1.233 0.724 1.00 94.19 9 A 1 ATOM 75 C CD2 . LEU A 1 9 ? 4.129 0.573 -1.672 1.00 94.81 9 A 1 ATOM 76 N N . ALA A 1 10 ? -0.441 -1.714 0.146 1.00 98.48 10 A 1 ATOM 77 C CA . ALA A 1 10 ? -1.200 -2.931 0.428 1.00 98.44 10 A 1 ATOM 78 C C . ALA A 1 10 ? -2.165 -3.261 -0.711 1.00 98.54 10 A 1 ATOM 79 O O . ALA A 1 10 ? -2.307 -4.425 -1.092 1.00 98.34 10 A 1 ATOM 80 C CB . ALA A 1 10 ? -1.957 -2.765 1.743 1.00 98.26 10 A 1 ATOM 81 N N . PHE A 1 11 ? -2.801 -2.244 -1.282 1.00 98.38 11 A 1 ATOM 82 C CA . PHE A 1 11 ? -3.733 -2.427 -2.392 1.00 98.39 11 A 1 ATOM 83 C C . PHE A 1 11 ? -3.010 -2.944 -3.635 1.00 98.56 11 A 1 ATOM 84 O O . PHE A 1 11 ? -3.504 -3.850 -4.312 1.00 98.29 11 A 1 ATOM 85 C CB . PHE A 1 11 ? -4.444 -1.104 -2.682 1.00 98.11 11 A 1 ATOM 86 C CG . PHE A 1 11 ? -5.715 -1.289 -3.472 1.00 96.26 11 A 1 ATOM 87 C CD1 . PHE A 1 11 ? -6.849 -1.820 -2.868 1.00 94.40 11 A 1 ATOM 88 C CD2 . PHE A 1 11 ? -5.766 -0.927 -4.812 1.00 94.79 11 A 1 ATOM 89 C CE1 . PHE A 1 11 ? -8.021 -1.993 -3.593 1.00 93.54 11 A 1 ATOM 90 C CE2 . PHE A 1 11 ? -6.938 -1.104 -5.547 1.00 93.45 11 A 1 ATOM 91 C CZ . PHE A 1 11 ? -8.064 -1.639 -4.935 1.00 93.64 11 A 1 ATOM 92 N N . THR A 1 12 ? -1.829 -2.403 -3.915 1.00 98.65 12 A 1 ATOM 93 C CA . THR A 1 12 ? -1.019 -2.830 -5.063 1.00 98.56 12 A 1 ATOM 94 C C . THR A 1 12 ? -0.596 -4.294 -4.909 1.00 98.64 12 A 1 ATOM 95 O O . THR A 1 12 ? -0.619 -5.056 -5.877 1.00 98.29 12 A 1 ATOM 96 C CB . THR A 1 12 ? 0.227 -1.933 -5.202 1.00 98.14 12 A 1 ATOM 97 O OG1 . THR A 1 12 ? -0.160 -0.564 -5.255 1.00 95.27 12 A 1 ATOM 98 C CG2 . THR A 1 12 ? 0.998 -2.251 -6.482 1.00 94.72 12 A 1 ATOM 99 N N . ALA A 1 13 ? -0.216 -4.699 -3.702 1.00 98.69 13 A 1 ATOM 100 C CA . ALA A 1 13 ? 0.189 -6.076 -3.421 1.00 98.66 13 A 1 ATOM 101 C C . ALA A 1 13 ? -0.977 -7.058 -3.608 1.00 98.74 13 A 1 ATOM 102 O O . ALA A 1 13 ? -0.781 -8.160 -4.121 1.00 98.49 13 A 1 ATOM 103 C CB . ALA A 1 13 ? 0.747 -6.163 -2.004 1.00 98.44 13 A 1 ATOM 104 N N . LEU A 1 14 ? -2.178 -6.664 -3.216 1.00 98.64 14 A 1 ATOM 105 C CA . LEU A 1 14 ? -3.370 -7.508 -3.351 1.00 98.57 14 A 1 ATOM 106 C C . LEU A 1 14 ? -3.728 -7.758 -4.817 1.00 98.58 14 A 1 ATOM 107 O O . LEU A 1 14 ? -4.114 -8.872 -5.176 1.00 98.13 14 A 1 ATOM 108 C CB . LEU A 1 14 ? -4.547 -6.855 -2.622 1.00 98.29 14 A 1 ATOM 109 C CG . LEU A 1 14 ? -4.511 -7.030 -1.105 1.00 94.81 14 A 1 ATOM 110 C CD1 . LEU A 1 14 ? -5.468 -6.051 -0.436 1.00 91.24 14 A 1 ATOM 111 C CD2 . LEU A 1 14 ? -4.885 -8.457 -0.722 1.00 90.85 14 A 1 ATOM 112 N N . ILE A 1 15 ? -3.581 -6.750 -5.663 1.00 98.53 15 A 1 ATOM 113 C CA . ILE A 1 15 ? -3.874 -6.880 -7.094 1.00 98.30 15 A 1 ATOM 114 C C . ILE A 1 15 ? -2.826 -7.757 -7.784 1.00 98.38 15 A 1 ATOM 115 O O . ILE A 1 15 ? -3.148 -8.517 -8.699 1.00 97.97 15 A 1 ATOM 116 C CB . ILE A 1 15 ? -3.942 -5.491 -7.762 1.00 97.59 15 A 1 ATOM 117 C CG1 . ILE A 1 15 ? -5.048 -4.631 -7.134 1.00 94.97 15 A 1 ATOM 118 C CG2 . ILE A 1 15 ? -4.204 -5.633 -9.265 1.00 94.22 15 A 1 ATOM 119 C CD1 . ILE A 1 15 ? -4.880 -3.150 -7.430 1.00 89.60 15 A 1 ATOM 120 N N . SER A 1 16 ? -1.576 -7.665 -7.347 1.00 98.48 16 A 1 ATOM 121 C CA . SER A 1 16 ? -0.471 -8.433 -7.927 1.00 98.41 16 A 1 ATOM 122 C C . SER A 1 16 ? -0.542 -9.920 -7.567 1.00 98.42 16 A 1 ATOM 123 O O . SER A 1 16 ? -0.003 -10.759 -8.298 1.00 97.55 16 A 1 ATOM 124 C CB . SER A 1 16 ? 0.868 -7.852 -7.464 1.00 97.58 16 A 1 ATOM 125 O OG . SER A 1 16 ? 1.942 -8.446 -8.155 1.00 89.32 16 A 1 ATOM 126 N N . ALA A 1 17 ? -1.195 -10.262 -6.463 1.00 97.60 17 A 1 ATOM 127 C CA . ALA A 1 17 ? -1.322 -11.645 -5.992 1.00 96.74 17 A 1 ATOM 128 C C . ALA A 1 17 ? -2.260 -12.442 -6.899 1.00 96.30 17 A 1 ATOM 129 O O . ALA A 1 17 ? -1.870 -13.537 -7.344 1.00 94.02 17 A 1 ATOM 130 C CB . ALA A 1 17 ? -1.809 -11.667 -4.542 1.00 94.91 17 A 1 ATOM 131 O OXT . ALA A 1 17 ? -3.364 -11.988 -7.158 1.00 86.06 17 A 1 #