# 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_spkb43881 # _entry.id spkb43881 # 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 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" "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)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 PHE 3 1 n HIS 4 1 n LEU 5 1 n VAL 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n ALA 10 1 n ILE 11 1 n VAL 12 1 n PRO 13 1 n LEU 14 1 n THR 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 @ 2025-07-04 00:17:45)" _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 90.03 _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 82.66 1 1 A LYS 2 2 86.72 1 2 A PHE 3 2 88.05 1 3 A HIS 4 2 86.73 1 4 A LEU 5 2 90.35 1 5 A VAL 6 2 93.57 1 6 A LEU 7 2 92.03 1 7 A LEU 8 2 90.70 1 8 A LEU 9 2 91.48 1 9 A ALA 10 2 95.82 1 10 A ILE 11 2 91.68 1 11 A VAL 12 2 94.14 1 12 A PRO 13 2 95.39 1 13 A LEU 14 2 90.34 1 14 A THR 15 2 90.85 1 15 A LEU 16 2 88.62 1 16 A ALA 17 2 86.42 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 LYS . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n HIS . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n THR . 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 ? -5.041 11.014 1.522 1.00 88.61 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.512 9.673 1.942 1.00 89.96 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.351 8.855 2.512 1.00 91.11 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.599 8.237 1.773 1.00 88.78 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.095 8.932 0.740 1.00 84.53 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.336 9.624 0.209 1.00 78.28 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.016 8.757 -1.211 1.00 73.79 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.936 10.071 -1.981 1.00 66.21 1 A 1 ATOM 9 N N . LYS A 1 2 ? -4.221 8.890 3.828 1.00 92.12 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -3.136 8.173 4.504 1.00 93.45 2 A 1 ATOM 11 C C . LYS A 1 2 ? -3.357 6.661 4.447 1.00 93.71 2 A 1 ATOM 12 O O . LYS A 1 2 ? -2.429 5.900 4.185 1.00 93.02 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -3.060 8.624 5.962 1.00 91.83 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -3.033 10.130 6.131 1.00 86.10 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -1.633 10.686 5.919 1.00 82.75 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -1.597 12.157 6.279 1.00 76.58 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -0.285 12.748 5.967 1.00 70.92 2 A 1 ATOM 18 N N . PHE A 1 3 ? -4.575 6.239 4.693 1.00 92.48 3 A 1 ATOM 19 C CA . PHE A 1 3 ? -4.917 4.816 4.690 1.00 93.07 3 A 1 ATOM 20 C C . PHE A 1 3 ? -4.696 4.206 3.312 1.00 94.17 3 A 1 ATOM 21 O O . PHE A 1 3 ? -4.260 3.064 3.189 1.00 92.67 3 A 1 ATOM 22 C CB . PHE A 1 3 ? -6.378 4.649 5.111 1.00 91.78 3 A 1 ATOM 23 C CG . PHE A 1 3 ? -6.620 3.334 5.803 1.00 88.02 3 A 1 ATOM 24 C CD1 . PHE A 1 3 ? -6.254 3.159 7.127 1.00 84.64 3 A 1 ATOM 25 C CD2 . PHE A 1 3 ? -7.209 2.283 5.122 1.00 84.12 3 A 1 ATOM 26 C CE1 . PHE A 1 3 ? -6.470 1.950 7.771 1.00 83.31 3 A 1 ATOM 27 C CE2 . PHE A 1 3 ? -7.426 1.062 5.755 1.00 83.02 3 A 1 ATOM 28 C CZ . PHE A 1 3 ? -7.059 0.897 7.084 1.00 81.23 3 A 1 ATOM 29 N N . HIS A 1 4 ? -4.986 4.979 2.275 1.00 91.75 4 A 1 ATOM 30 C CA . HIS A 1 4 ? -4.822 4.511 0.903 1.00 92.44 4 A 1 ATOM 31 C C . HIS A 1 4 ? -3.351 4.209 0.619 1.00 93.31 4 A 1 ATOM 32 O O . HIS A 1 4 ? -3.026 3.249 -0.079 1.00 91.95 4 A 1 ATOM 33 C CB . HIS A 1 4 ? -5.332 5.580 -0.070 1.00 91.20 4 A 1 ATOM 34 C CG . HIS A 1 4 ? -6.027 4.984 -1.257 1.00 88.61 4 A 1 ATOM 35 N ND1 . HIS A 1 4 ? -6.819 5.717 -2.119 1.00 77.86 4 A 1 ATOM 36 C CD2 . HIS A 1 4 ? -6.048 3.712 -1.732 1.00 77.53 4 A 1 ATOM 37 C CE1 . HIS A 1 4 ? -7.287 4.909 -3.062 1.00 80.51 4 A 1 ATOM 38 N NE2 . HIS A 1 4 ? -6.838 3.686 -2.853 1.00 82.15 4 A 1 ATOM 39 N N . LEU A 1 5 ? -2.485 5.024 1.167 1.00 93.45 5 A 1 ATOM 40 C CA . LEU A 1 5 ? -1.046 4.839 0.989 1.00 93.93 5 A 1 ATOM 41 C C . LEU A 1 5 ? -0.584 3.542 1.645 1.00 94.73 5 A 1 ATOM 42 O O . LEU A 1 5 ? 0.246 2.817 1.098 1.00 94.24 5 A 1 ATOM 43 C CB . LEU A 1 5 ? -0.302 6.027 1.604 1.00 93.65 5 A 1 ATOM 44 C CG . LEU A 1 5 ? 0.854 6.499 0.733 1.00 85.92 5 A 1 ATOM 45 C CD1 . LEU A 1 5 ? 0.354 7.448 -0.346 1.00 83.24 5 A 1 ATOM 46 C CD2 . LEU A 1 5 ? 1.908 7.187 1.585 1.00 83.63 5 A 1 ATOM 47 N N . VAL A 1 6 ? -1.114 3.273 2.809 1.00 94.70 6 A 1 ATOM 48 C CA . VAL A 1 6 ? -0.764 2.059 3.553 1.00 94.42 6 A 1 ATOM 49 C C . VAL A 1 6 ? -1.224 0.820 2.789 1.00 94.67 6 A 1 ATOM 50 O O . VAL A 1 6 ? -0.532 -0.198 2.757 1.00 94.27 6 A 1 ATOM 51 C CB . VAL A 1 6 ? -1.405 2.077 4.949 1.00 93.99 6 A 1 ATOM 52 C CG1 . VAL A 1 6 ? -1.046 0.813 5.715 1.00 91.36 6 A 1 ATOM 53 C CG2 . VAL A 1 6 ? -0.950 3.303 5.726 1.00 91.55 6 A 1 ATOM 54 N N . LEU A 1 7 ? -2.383 0.919 2.184 1.00 94.44 7 A 1 ATOM 55 C CA . LEU A 1 7 ? -2.950 -0.190 1.420 1.00 94.38 7 A 1 ATOM 56 C C . LEU A 1 7 ? -2.023 -0.560 0.265 1.00 95.05 7 A 1 ATOM 57 O O . LEU A 1 7 ? -1.737 -1.732 0.023 1.00 95.10 7 A 1 ATOM 58 C CB . LEU A 1 7 ? -4.335 0.211 0.885 1.00 94.25 7 A 1 ATOM 59 C CG . LEU A 1 7 ? -5.507 -0.472 1.587 1.00 88.74 7 A 1 ATOM 60 C CD1 . LEU A 1 7 ? -5.448 -1.970 1.376 1.00 86.88 7 A 1 ATOM 61 C CD2 . LEU A 1 7 ? -5.514 -0.137 3.062 1.00 87.36 7 A 1 ATOM 62 N N . LEU A 1 8 ? -1.557 0.448 -0.430 1.00 94.13 8 A 1 ATOM 63 C CA . LEU A 1 8 ? -0.655 0.241 -1.563 1.00 93.73 8 A 1 ATOM 64 C C . LEU A 1 8 ? 0.660 -0.377 -1.098 1.00 94.57 8 A 1 ATOM 65 O O . LEU A 1 8 ? 1.224 -1.241 -1.768 1.00 94.53 8 A 1 ATOM 66 C CB . LEU A 1 8 ? -0.392 1.585 -2.241 1.00 93.55 8 A 1 ATOM 67 C CG . LEU A 1 8 ? 0.222 1.443 -3.629 1.00 86.42 8 A 1 ATOM 68 C CD1 . LEU A 1 8 ? -0.866 1.132 -4.658 1.00 84.26 8 A 1 ATOM 69 C CD2 . LEU A 1 8 ? 0.947 2.718 -4.026 1.00 84.37 8 A 1 ATOM 70 N N . LEU A 1 9 ? 1.136 0.071 0.043 1.00 94.60 9 A 1 ATOM 71 C CA . LEU A 1 9 ? 2.389 -0.431 0.609 1.00 94.33 9 A 1 ATOM 72 C C . LEU A 1 9 ? 2.284 -1.922 0.924 1.00 95.16 9 A 1 ATOM 73 O O . LEU A 1 9 ? 3.259 -2.661 0.788 1.00 94.73 9 A 1 ATOM 74 C CB . LEU A 1 9 ? 2.716 0.355 1.882 1.00 93.89 9 A 1 ATOM 75 C CG . LEU A 1 9 ? 4.145 0.142 2.375 1.00 87.85 9 A 1 ATOM 76 C CD1 . LEU A 1 9 ? 5.123 0.968 1.541 1.00 85.23 9 A 1 ATOM 77 C CD2 . LEU A 1 9 ? 4.268 0.534 3.840 1.00 86.05 9 A 1 ATOM 78 N N . ALA A 1 10 ? 1.119 -2.347 1.342 1.00 95.98 10 A 1 ATOM 79 C CA . ALA A 1 10 ? 0.893 -3.748 1.690 1.00 96.11 10 A 1 ATOM 80 C C . ALA A 1 10 ? 0.679 -4.610 0.447 1.00 96.64 10 A 1 ATOM 81 O O . ALA A 1 10 ? 0.964 -5.807 0.456 1.00 95.20 10 A 1 ATOM 82 C CB . ALA A 1 10 ? -0.317 -3.846 2.615 1.00 95.15 10 A 1 ATOM 83 N N . ILE A 1 11 ? 0.198 -4.003 -0.613 1.00 94.56 11 A 1 ATOM 84 C CA . ILE A 1 11 ? -0.076 -4.720 -1.855 1.00 94.49 11 A 1 ATOM 85 C C . ILE A 1 11 ? 1.179 -4.857 -2.709 1.00 95.04 11 A 1 ATOM 86 O O . ILE A 1 11 ? 1.373 -5.871 -3.384 1.00 93.47 11 A 1 ATOM 87 C CB . ILE A 1 11 ? -1.177 -4.000 -2.655 1.00 93.66 11 A 1 ATOM 88 C CG1 . ILE A 1 11 ? -2.489 -3.969 -1.869 1.00 89.77 11 A 1 ATOM 89 C CG2 . ILE A 1 11 ? -1.403 -4.711 -3.990 1.00 88.36 11 A 1 ATOM 90 C CD1 . ILE A 1 11 ? -3.449 -2.916 -2.384 1.00 84.09 11 A 1 ATOM 91 N N . VAL A 1 12 ? 2.014 -3.844 -2.679 1.00 95.81 12 A 1 ATOM 92 C CA . VAL A 1 12 ? 3.252 -3.840 -3.463 1.00 95.55 12 A 1 ATOM 93 C C . VAL A 1 12 ? 4.064 -5.122 -3.261 1.00 96.00 12 A 1 ATOM 94 O O . VAL A 1 12 ? 4.395 -5.809 -4.234 1.00 95.25 12 A 1 ATOM 95 C CB . VAL A 1 12 ? 4.097 -2.599 -3.113 1.00 94.53 12 A 1 ATOM 96 C CG1 . VAL A 1 12 ? 5.511 -2.733 -3.650 1.00 90.73 12 A 1 ATOM 97 C CG2 . VAL A 1 12 ? 3.450 -1.345 -3.677 1.00 91.09 12 A 1 ATOM 98 N N . PRO A 1 13 ? 4.414 -5.452 -2.027 1.00 96.56 13 A 1 ATOM 99 C CA . PRO A 1 13 ? 5.200 -6.663 -1.760 1.00 96.21 13 A 1 ATOM 100 C C . PRO A 1 13 ? 4.434 -7.934 -2.090 1.00 96.25 13 A 1 ATOM 101 O O . PRO A 1 13 ? 5.024 -8.932 -2.499 1.00 94.56 13 A 1 ATOM 102 C CB . PRO A 1 13 ? 5.492 -6.579 -0.256 1.00 94.71 13 A 1 ATOM 103 C CG . PRO A 1 13 ? 4.420 -5.710 0.294 1.00 93.53 13 A 1 ATOM 104 C CD . PRO A 1 13 ? 4.087 -4.726 -0.796 1.00 95.88 13 A 1 ATOM 105 N N . LEU A 1 14 ? 3.146 -7.900 -1.913 1.00 94.59 14 A 1 ATOM 106 C CA . LEU A 1 14 ? 2.293 -9.053 -2.196 1.00 94.35 14 A 1 ATOM 107 C C . LEU A 1 14 ? 2.276 -9.357 -3.688 1.00 94.83 14 A 1 ATOM 108 O O . LEU A 1 14 ? 2.354 -10.519 -4.092 1.00 92.60 14 A 1 ATOM 109 C CB . LEU A 1 14 ? 0.874 -8.771 -1.703 1.00 92.97 14 A 1 ATOM 110 C CG . LEU A 1 14 ? 0.002 -10.017 -1.651 1.00 86.88 14 A 1 ATOM 111 C CD1 . LEU A 1 14 ? 0.248 -10.773 -0.352 1.00 83.24 14 A 1 ATOM 112 C CD2 . LEU A 1 14 ? -1.466 -9.639 -1.764 1.00 83.26 14 A 1 ATOM 113 N N . THR A 1 15 ? 2.183 -8.324 -4.494 1.00 94.20 15 A 1 ATOM 114 C CA . THR A 1 15 ? 2.149 -8.473 -5.948 1.00 93.61 15 A 1 ATOM 115 C C . THR A 1 15 ? 3.493 -8.959 -6.480 1.00 93.61 15 A 1 ATOM 116 O O . THR A 1 15 ? 3.550 -9.749 -7.422 1.00 90.61 15 A 1 ATOM 117 C CB . THR A 1 15 ? 1.797 -7.136 -6.604 1.00 92.24 15 A 1 ATOM 118 O OG1 . THR A 1 15 ? 0.619 -6.607 -6.010 1.00 86.94 15 A 1 ATOM 119 C CG2 . THR A 1 15 ? 1.551 -7.316 -8.092 1.00 84.71 15 A 1 ATOM 120 N N . LEU A 1 16 ? 4.557 -8.482 -5.884 1.00 94.00 16 A 1 ATOM 121 C CA . LEU A 1 16 ? 5.905 -8.855 -6.300 1.00 93.59 16 A 1 ATOM 122 C C . LEU A 1 16 ? 6.175 -10.324 -6.012 1.00 93.78 16 A 1 ATOM 123 O O . LEU A 1 16 ? 6.828 -11.012 -6.800 1.00 91.47 16 A 1 ATOM 124 C CB . LEU A 1 16 ? 6.915 -7.969 -5.567 1.00 91.67 16 A 1 ATOM 125 C CG . LEU A 1 16 ? 8.270 -7.885 -6.255 1.00 85.80 16 A 1 ATOM 126 C CD1 . LEU A 1 16 ? 8.899 -6.523 -6.017 1.00 80.29 16 A 1 ATOM 127 C CD2 . LEU A 1 16 ? 9.201 -8.974 -5.752 1.00 78.37 16 A 1 ATOM 128 N N . ALA A 1 17 ? 5.691 -10.806 -4.892 1.00 93.11 17 A 1 ATOM 129 C CA . ALA A 1 17 ? 5.872 -12.195 -4.474 1.00 90.77 17 A 1 ATOM 130 C C . ALA A 1 17 ? 5.185 -13.138 -5.452 1.00 88.24 17 A 1 ATOM 131 O O . ALA A 1 17 ? 5.828 -14.112 -5.888 1.00 83.58 17 A 1 ATOM 132 C CB . ALA A 1 17 ? 5.327 -12.387 -3.061 1.00 85.87 17 A 1 ATOM 133 O OXT . ALA A 1 17 ? 4.009 -12.911 -5.765 1.00 76.96 17 A 1 #