# 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_spkb08301 # _entry.id spkb08301 # 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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "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" "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 LYS 2 1 n TRP 3 1 n LYS 4 1 n HIS 5 1 n LEU 6 1 n PRO 7 1 n LEU 8 1 n LEU 9 1 n VAL 10 1 n MET 11 1 n ILE 12 1 n SER 13 1 n LEU 14 1 n LEU 15 1 n THR 16 1 n LEU 17 1 n SER 18 1 n LYS 19 1 n LYS 20 1 n HIS 21 1 n LEU 22 1 n LEU 23 1 n LEU 24 1 n ALA 25 # _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 20:00:21)" _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 87.94 _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 70.62 1 1 A LYS 2 2 75.63 1 2 A TRP 3 2 72.05 1 3 A LYS 4 2 78.87 1 4 A HIS 5 2 83.33 1 5 A LEU 6 2 87.59 1 6 A PRO 7 2 92.51 1 7 A LEU 8 2 91.47 1 8 A LEU 9 2 91.99 1 9 A VAL 10 2 95.26 1 10 A MET 11 2 91.14 1 11 A ILE 12 2 95.09 1 12 A SER 13 2 96.02 1 13 A LEU 14 2 94.55 1 14 A LEU 15 2 93.97 1 15 A THR 16 2 94.04 1 16 A LEU 17 2 92.74 1 17 A SER 18 2 94.97 1 18 A LYS 19 2 88.29 1 19 A LYS 20 2 88.95 1 20 A HIS 21 2 89.36 1 21 A LEU 22 2 92.35 1 22 A LEU 23 2 92.23 1 23 A LEU 24 2 91.42 1 24 A ALA 25 2 84.54 1 25 # _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 TRP . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n HIS . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n MET . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n LYS . 19 A 19 A 20 1 n LYS . 20 A 20 A 21 1 n HIS . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n ALA . 25 A 25 # _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 ? -7.373 17.539 14.611 1.00 76.05 1 A 1 ATOM 2 C CA . MET A 1 1 ? -6.516 16.527 13.986 1.00 78.07 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.468 16.737 12.481 1.00 78.51 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.506 16.967 11.864 1.00 72.78 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.044 15.125 14.280 1.00 72.74 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.033 14.811 15.765 1.00 67.53 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.752 13.213 16.132 1.00 63.35 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.533 13.178 17.900 1.00 55.91 1 A 1 ATOM 9 N N . LYS A 1 2 ? -5.282 16.670 11.897 1.00 82.72 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -5.105 16.914 10.468 1.00 84.30 2 A 1 ATOM 11 C C . LYS A 1 2 ? -4.360 15.770 9.792 1.00 84.33 2 A 1 ATOM 12 O O . LYS A 1 2 ? -3.269 15.955 9.255 1.00 81.53 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -4.362 18.233 10.255 1.00 80.68 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -5.102 19.442 10.782 1.00 72.68 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -4.366 20.734 10.482 1.00 72.96 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -3.067 20.830 11.255 1.00 64.01 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -2.408 22.149 11.038 1.00 57.47 2 A 1 ATOM 18 N N . TRP A 1 3 ? -4.943 14.594 9.824 1.00 83.60 3 A 1 ATOM 19 C CA . TRP A 1 3 ? -4.342 13.424 9.208 1.00 85.21 3 A 1 ATOM 20 C C . TRP A 1 3 ? -5.183 12.916 8.041 1.00 86.31 3 A 1 ATOM 21 O O . TRP A 1 3 ? -5.495 11.724 7.944 1.00 82.03 3 A 1 ATOM 22 C CB . TRP A 1 3 ? -4.167 12.314 10.246 1.00 80.31 3 A 1 ATOM 23 C CG . TRP A 1 3 ? -3.259 12.699 11.372 1.00 71.79 3 A 1 ATOM 24 C CD1 . TRP A 1 3 ? -2.017 13.215 11.262 1.00 69.39 3 A 1 ATOM 25 C CD2 . TRP A 1 3 ? -3.525 12.574 12.790 1.00 71.93 3 A 1 ATOM 26 N NE1 . TRP A 1 3 ? -1.483 13.429 12.517 1.00 63.55 3 A 1 ATOM 27 C CE2 . TRP A 1 3 ? -2.387 13.040 13.466 1.00 70.13 3 A 1 ATOM 28 C CE3 . TRP A 1 3 ? -4.615 12.102 13.516 1.00 61.72 3 A 1 ATOM 29 C CZ2 . TRP A 1 3 ? -2.319 13.044 14.862 1.00 62.61 3 A 1 ATOM 30 C CZ3 . TRP A 1 3 ? -4.548 12.106 14.909 1.00 61.11 3 A 1 ATOM 31 C CH2 . TRP A 1 3 ? -3.406 12.579 15.565 1.00 59.04 3 A 1 ATOM 32 N N . LYS A 1 4 ? -5.546 13.852 7.156 1.00 87.18 4 A 1 ATOM 33 C CA . LYS A 1 4 ? -6.390 13.527 6.015 1.00 87.59 4 A 1 ATOM 34 C C . LYS A 1 4 ? -5.710 12.540 5.074 1.00 88.11 4 A 1 ATOM 35 O O . LYS A 1 4 ? -6.361 11.672 4.498 1.00 84.87 4 A 1 ATOM 36 C CB . LYS A 1 4 ? -6.758 14.800 5.254 1.00 84.66 4 A 1 ATOM 37 C CG . LYS A 1 4 ? -7.594 15.767 6.075 1.00 76.78 4 A 1 ATOM 38 C CD . LYS A 1 4 ? -7.909 17.022 5.287 1.00 74.92 4 A 1 ATOM 39 C CE . LYS A 1 4 ? -8.741 17.999 6.108 1.00 66.43 4 A 1 ATOM 40 N NZ . LYS A 1 4 ? -9.028 19.245 5.351 1.00 59.30 4 A 1 ATOM 41 N N . HIS A 1 5 ? -4.408 12.674 4.931 1.00 89.96 5 A 1 ATOM 42 C CA . HIS A 1 5 ? -3.647 11.833 4.018 1.00 91.20 5 A 1 ATOM 43 C C . HIS A 1 5 ? -3.039 10.614 4.702 1.00 91.85 5 A 1 ATOM 44 O O . HIS A 1 5 ? -2.408 9.786 4.046 1.00 89.98 5 A 1 ATOM 45 C CB . HIS A 1 5 ? -2.542 12.654 3.350 1.00 89.78 5 A 1 ATOM 46 C CG . HIS A 1 5 ? -3.068 13.762 2.494 1.00 84.29 5 A 1 ATOM 47 N ND1 . HIS A 1 5 ? -2.633 15.057 2.584 1.00 72.63 5 A 1 ATOM 48 C CD2 . HIS A 1 5 ? -4.006 13.742 1.523 1.00 73.00 5 A 1 ATOM 49 C CE1 . HIS A 1 5 ? -3.282 15.790 1.695 1.00 73.83 5 A 1 ATOM 50 N NE2 . HIS A 1 5 ? -4.132 15.025 1.031 1.00 76.80 5 A 1 ATOM 51 N N . LEU A 1 6 ? -3.223 10.497 6.009 1.00 91.84 6 A 1 ATOM 52 C CA . LEU A 1 6 ? -2.689 9.355 6.739 1.00 92.07 6 A 1 ATOM 53 C C . LEU A 1 6 ? -3.267 8.032 6.228 1.00 93.34 6 A 1 ATOM 54 O O . LEU A 1 6 ? -2.502 7.102 5.959 1.00 92.78 6 A 1 ATOM 55 C CB . LEU A 1 6 ? -2.924 9.525 8.244 1.00 91.06 6 A 1 ATOM 56 C CG . LEU A 1 6 ? -2.350 8.406 9.102 1.00 83.25 6 A 1 ATOM 57 C CD1 . LEU A 1 6 ? -0.838 8.333 8.963 1.00 78.46 6 A 1 ATOM 58 C CD2 . LEU A 1 6 ? -2.734 8.612 10.561 1.00 77.93 6 A 1 ATOM 59 N N . PRO A 1 7 ? -4.591 7.926 6.081 1.00 92.67 7 A 1 ATOM 60 C CA . PRO A 1 7 ? -5.178 6.691 5.542 1.00 93.26 7 A 1 ATOM 61 C C . PRO A 1 7 ? -4.697 6.416 4.127 1.00 94.56 7 A 1 ATOM 62 O O . PRO A 1 7 ? -4.511 5.260 3.744 1.00 93.93 7 A 1 ATOM 63 C CB . PRO A 1 7 ? -6.689 6.963 5.557 1.00 91.31 7 A 1 ATOM 64 C CG . PRO A 1 7 ? -6.872 8.077 6.530 1.00 89.64 7 A 1 ATOM 65 C CD . PRO A 1 7 ? -5.614 8.896 6.437 1.00 92.17 7 A 1 ATOM 66 N N . LEU A 1 8 ? -4.483 7.468 3.357 1.00 94.41 8 A 1 ATOM 67 C CA . LEU A 1 8 ? -3.991 7.343 1.993 1.00 94.88 8 A 1 ATOM 68 C C . LEU A 1 8 ? -2.591 6.741 1.982 1.00 95.60 8 A 1 ATOM 69 O O . LEU A 1 8 ? -2.282 5.879 1.159 1.00 95.35 8 A 1 ATOM 70 C CB . LEU A 1 8 ? -3.983 8.710 1.312 1.00 94.87 8 A 1 ATOM 71 C CG . LEU A 1 8 ? -3.547 8.691 -0.149 1.00 87.91 8 A 1 ATOM 72 C CD1 . LEU A 1 8 ? -4.509 7.862 -0.988 1.00 83.76 8 A 1 ATOM 73 C CD2 . LEU A 1 8 ? -3.459 10.105 -0.688 1.00 84.97 8 A 1 ATOM 74 N N . LEU A 1 9 ? -1.745 7.191 2.898 1.00 95.03 9 A 1 ATOM 75 C CA . LEU A 1 9 ? -0.387 6.680 3.012 1.00 95.26 9 A 1 ATOM 76 C C . LEU A 1 9 ? -0.385 5.201 3.365 1.00 96.12 9 A 1 ATOM 77 O O . LEU A 1 9 ? 0.441 4.437 2.867 1.00 96.06 9 A 1 ATOM 78 C CB . LEU A 1 9 ? 0.388 7.465 4.075 1.00 95.09 9 A 1 ATOM 79 C CG . LEU A 1 9 ? 0.705 8.908 3.693 1.00 88.32 9 A 1 ATOM 80 C CD1 . LEU A 1 9 ? 1.315 9.642 4.881 1.00 84.20 9 A 1 ATOM 81 C CD2 . LEU A 1 9 ? 1.655 8.955 2.508 1.00 85.87 9 A 1 ATOM 82 N N . VAL A 1 10 ? -1.307 4.805 4.215 1.00 96.34 10 A 1 ATOM 83 C CA . VAL A 1 10 ? -1.434 3.404 4.602 1.00 96.55 10 A 1 ATOM 84 C C . VAL A 1 10 ? -1.808 2.560 3.389 1.00 97.22 10 A 1 ATOM 85 O O . VAL A 1 10 ? -1.262 1.475 3.177 1.00 97.09 10 A 1 ATOM 86 C CB . VAL A 1 10 ? -2.479 3.233 5.716 1.00 95.73 10 A 1 ATOM 87 C CG1 . VAL A 1 10 ? -2.696 1.762 6.041 1.00 92.27 10 A 1 ATOM 88 C CG2 . VAL A 1 10 ? -2.041 3.978 6.968 1.00 91.60 10 A 1 ATOM 89 N N . MET A 1 11 ? -2.727 3.070 2.589 1.00 96.39 11 A 1 ATOM 90 C CA . MET A 1 11 ? -3.164 2.374 1.385 1.00 96.63 11 A 1 ATOM 91 C C . MET A 1 11 ? -2.009 2.221 0.395 1.00 97.12 11 A 1 ATOM 92 O O . MET A 1 11 ? -1.812 1.150 -0.181 1.00 96.63 11 A 1 ATOM 93 C CB . MET A 1 11 ? -4.319 3.135 0.737 1.00 96.07 11 A 1 ATOM 94 C CG . MET A 1 11 ? -4.944 2.389 -0.421 1.00 91.16 11 A 1 ATOM 95 S SD . MET A 1 11 ? -6.365 3.229 -1.125 1.00 81.86 11 A 1 ATOM 96 C CE . MET A 1 11 ? -7.533 3.070 0.221 1.00 73.25 11 A 1 ATOM 97 N N . ILE A 1 12 ? -1.245 3.287 0.221 1.00 97.04 12 A 1 ATOM 98 C CA . ILE A 1 12 ? -0.088 3.268 -0.669 1.00 96.88 12 A 1 ATOM 99 C C . ILE A 1 12 ? 0.963 2.295 -0.146 1.00 97.13 12 A 1 ATOM 100 O O . ILE A 1 12 ? 1.585 1.558 -0.915 1.00 96.73 12 A 1 ATOM 101 C CB . ILE A 1 12 ? 0.516 4.681 -0.814 1.00 96.74 12 A 1 ATOM 102 C CG1 . ILE A 1 12 ? -0.481 5.614 -1.507 1.00 93.87 12 A 1 ATOM 103 C CG2 . ILE A 1 12 ? 1.820 4.625 -1.610 1.00 92.33 12 A 1 ATOM 104 C CD1 . ILE A 1 12 ? -0.085 7.075 -1.452 1.00 89.97 12 A 1 ATOM 105 N N . SER A 1 13 ? 1.155 2.294 1.157 1.00 97.35 13 A 1 ATOM 106 C CA . SER A 1 13 ? 2.115 1.405 1.795 1.00 97.37 13 A 1 ATOM 107 C C . SER A 1 13 ? 1.756 -0.054 1.542 1.00 97.46 13 A 1 ATOM 108 O O . SER A 1 13 ? 2.627 -0.873 1.248 1.00 96.86 13 A 1 ATOM 109 C CB . SER A 1 13 ? 2.166 1.675 3.295 1.00 97.18 13 A 1 ATOM 110 O OG . SER A 1 13 ? 3.137 0.864 3.910 1.00 89.89 13 A 1 ATOM 111 N N . LEU A 1 14 ? 0.486 -0.367 1.648 1.00 97.67 14 A 1 ATOM 112 C CA . LEU A 1 14 ? 0.004 -1.721 1.411 1.00 97.32 14 A 1 ATOM 113 C C . LEU A 1 14 ? 0.259 -2.141 -0.031 1.00 97.24 14 A 1 ATOM 114 O O . LEU A 1 14 ? 0.694 -3.264 -0.295 1.00 96.25 14 A 1 ATOM 115 C CB . LEU A 1 14 ? -1.489 -1.802 1.730 1.00 96.99 14 A 1 ATOM 116 C CG . LEU A 1 14 ? -2.086 -3.202 1.613 1.00 93.15 14 A 1 ATOM 117 C CD1 . LEU A 1 14 ? -1.440 -4.151 2.610 1.00 87.94 14 A 1 ATOM 118 C CD2 . LEU A 1 14 ? -3.587 -3.151 1.835 1.00 89.87 14 A 1 ATOM 119 N N . LEU A 1 15 ? -0.002 -1.237 -0.955 1.00 97.57 15 A 1 ATOM 120 C CA . LEU A 1 15 ? 0.232 -1.494 -2.370 1.00 97.12 15 A 1 ATOM 121 C C . LEU A 1 15 ? 1.715 -1.700 -2.640 1.00 97.15 15 A 1 ATOM 122 O O . LEU A 1 15 ? 2.102 -2.601 -3.389 1.00 96.47 15 A 1 ATOM 123 C CB . LEU A 1 15 ? -0.299 -0.327 -3.205 1.00 97.00 15 A 1 ATOM 124 C CG . LEU A 1 15 ? -0.168 -0.515 -4.716 1.00 92.01 15 A 1 ATOM 125 C CD1 . LEU A 1 15 ? -0.979 -1.715 -5.186 1.00 85.63 15 A 1 ATOM 126 C CD2 . LEU A 1 15 ? -0.618 0.739 -5.442 1.00 88.77 15 A 1 ATOM 127 N N . THR A 1 16 ? 2.543 -0.874 -2.026 1.00 97.12 16 A 1 ATOM 128 C CA . THR A 1 16 ? 3.990 -0.963 -2.175 1.00 96.71 16 A 1 ATOM 129 C C . THR A 1 16 ? 4.500 -2.296 -1.639 1.00 96.54 16 A 1 ATOM 130 O O . THR A 1 16 ? 5.374 -2.925 -2.240 1.00 95.19 16 A 1 ATOM 131 C CB . THR A 1 16 ? 4.681 0.190 -1.434 1.00 96.17 16 A 1 ATOM 132 O OG1 . THR A 1 16 ? 4.215 1.437 -1.934 1.00 90.21 16 A 1 ATOM 133 C CG2 . THR A 1 16 ? 6.191 0.125 -1.626 1.00 86.35 16 A 1 ATOM 134 N N . LEU A 1 17 ? 3.949 -2.729 -0.522 1.00 97.03 17 A 1 ATOM 135 C CA . LEU A 1 17 ? 4.324 -4.002 0.078 1.00 96.43 17 A 1 ATOM 136 C C . LEU A 1 17 ? 4.004 -5.149 -0.870 1.00 96.48 17 A 1 ATOM 137 O O . LEU A 1 17 ? 4.793 -6.085 -1.016 1.00 95.56 17 A 1 ATOM 138 C CB . LEU A 1 17 ? 3.589 -4.190 1.403 1.00 96.24 17 A 1 ATOM 139 C CG . LEU A 1 17 ? 3.960 -5.462 2.161 1.00 91.14 17 A 1 ATOM 140 C CD1 . LEU A 1 17 ? 5.429 -5.455 2.557 1.00 82.77 17 A 1 ATOM 141 C CD2 . LEU A 1 17 ? 3.084 -5.606 3.394 1.00 86.28 17 A 1 ATOM 142 N N . SER A 1 18 ? 2.864 -5.067 -1.520 1.00 97.32 18 A 1 ATOM 143 C CA . SER A 1 18 ? 2.452 -6.079 -2.482 1.00 96.95 18 A 1 ATOM 144 C C . SER A 1 18 ? 3.431 -6.152 -3.648 1.00 96.97 18 A 1 ATOM 145 O O . SER A 1 18 ? 3.818 -7.241 -4.077 1.00 95.92 18 A 1 ATOM 146 C CB . SER A 1 18 ? 1.050 -5.775 -2.998 1.00 96.20 18 A 1 ATOM 147 O OG . SER A 1 18 ? 0.616 -6.791 -3.870 1.00 86.47 18 A 1 ATOM 148 N N . LYS A 1 19 ? 3.854 -4.994 -4.135 1.00 96.57 19 A 1 ATOM 149 C CA . LYS A 1 19 ? 4.818 -4.916 -5.228 1.00 96.46 19 A 1 ATOM 150 C C . LYS A 1 19 ? 6.152 -5.515 -4.808 1.00 96.72 19 A 1 ATOM 151 O O . LYS A 1 19 ? 6.793 -6.226 -5.580 1.00 95.67 19 A 1 ATOM 152 C CB . LYS A 1 19 ? 5.019 -3.461 -5.662 1.00 95.72 19 A 1 ATOM 153 C CG . LYS A 1 19 ? 3.778 -2.831 -6.281 1.00 88.09 19 A 1 ATOM 154 C CD . LYS A 1 19 ? 3.446 -3.441 -7.622 1.00 82.03 19 A 1 ATOM 155 C CE . LYS A 1 19 ? 2.276 -2.730 -8.286 1.00 76.50 19 A 1 ATOM 156 N NZ . LYS A 1 19 ? 1.981 -3.285 -9.625 1.00 66.87 19 A 1 ATOM 157 N N . LYS A 1 20 ? 6.556 -5.227 -3.584 1.00 97.11 20 A 1 ATOM 158 C CA . LYS A 1 20 ? 7.806 -5.742 -3.045 1.00 96.93 20 A 1 ATOM 159 C C . LYS A 1 20 ? 7.787 -7.263 -3.004 1.00 97.10 20 A 1 ATOM 160 O O . LYS A 1 20 ? 8.749 -7.915 -3.405 1.00 95.72 20 A 1 ATOM 161 C CB . LYS A 1 20 ? 8.044 -5.181 -1.643 1.00 96.20 20 A 1 ATOM 162 C CG . LYS A 1 20 ? 9.365 -5.616 -1.040 1.00 89.11 20 A 1 ATOM 163 C CD . LYS A 1 20 ? 9.544 -5.043 0.360 1.00 82.99 20 A 1 ATOM 164 C CE . LYS A 1 20 ? 10.853 -5.512 0.981 1.00 77.16 20 A 1 ATOM 165 N NZ . LYS A 1 20 ? 12.030 -5.037 0.224 1.00 68.19 20 A 1 ATOM 166 N N . HIS A 1 21 ? 6.694 -7.825 -2.525 1.00 97.27 21 A 1 ATOM 167 C CA . HIS A 1 21 ? 6.544 -9.274 -2.451 1.00 97.05 21 A 1 ATOM 168 C C . HIS A 1 21 ? 6.517 -9.889 -3.845 1.00 97.11 21 A 1 ATOM 169 O O . HIS A 1 21 ? 7.061 -10.972 -4.058 1.00 95.59 21 A 1 ATOM 170 C CB . HIS A 1 21 ? 5.266 -9.640 -1.694 1.00 96.14 21 A 1 ATOM 171 C CG . HIS A 1 21 ? 5.427 -9.582 -0.209 1.00 90.47 21 A 1 ATOM 172 N ND1 . HIS A 1 21 ? 5.127 -10.632 0.627 1.00 76.52 21 A 1 ATOM 173 C CD2 . HIS A 1 21 ? 5.869 -8.587 0.590 1.00 80.05 21 A 1 ATOM 174 C CE1 . HIS A 1 21 ? 5.371 -10.267 1.872 1.00 79.73 21 A 1 ATOM 175 N NE2 . HIS A 1 21 ? 5.831 -9.029 1.887 1.00 83.62 21 A 1 ATOM 176 N N . LEU A 1 22 ? 5.904 -9.192 -4.781 1.00 96.98 22 A 1 ATOM 177 C CA . LEU A 1 22 ? 5.831 -9.663 -6.157 1.00 96.85 22 A 1 ATOM 178 C C . LEU A 1 22 ? 7.217 -9.759 -6.777 1.00 96.98 22 A 1 ATOM 179 O O . LEU A 1 22 ? 7.512 -10.702 -7.515 1.00 95.63 22 A 1 ATOM 180 C CB . LEU A 1 22 ? 4.956 -8.726 -6.982 1.00 96.50 22 A 1 ATOM 181 C CG . LEU A 1 22 ? 4.745 -9.173 -8.425 1.00 89.58 22 A 1 ATOM 182 C CD1 . LEU A 1 22 ? 4.008 -10.501 -8.474 1.00 82.36 22 A 1 ATOM 183 C CD2 . LEU A 1 22 ? 3.980 -8.111 -9.192 1.00 83.94 22 A 1 ATOM 184 N N . LEU A 1 23 ? 8.074 -8.792 -6.479 1.00 96.23 23 A 1 ATOM 185 C CA . LEU A 1 23 ? 9.436 -8.772 -6.997 1.00 96.22 23 A 1 ATOM 186 C C . LEU A 1 23 ? 10.295 -9.852 -6.353 1.00 96.32 23 A 1 ATOM 187 O O . LEU A 1 23 ? 11.136 -10.460 -7.016 1.00 94.84 23 A 1 ATOM 188 C CB . LEU A 1 23 ? 10.074 -7.401 -6.756 1.00 96.09 23 A 1 ATOM 189 C CG . LEU A 1 23 ? 9.449 -6.269 -7.561 1.00 91.06 23 A 1 ATOM 190 C CD1 . LEU A 1 23 ? 10.001 -4.931 -7.100 1.00 83.74 23 A 1 ATOM 191 C CD2 . LEU A 1 23 ? 9.715 -6.458 -9.046 1.00 83.32 23 A 1 ATOM 192 N N . LEU A 1 24 ? 10.092 -10.084 -5.066 1.00 95.91 24 A 1 ATOM 193 C CA . LEU A 1 24 ? 10.861 -11.076 -4.329 1.00 95.98 24 A 1 ATOM 194 C C . LEU A 1 24 ? 10.409 -12.495 -4.646 1.00 95.84 24 A 1 ATOM 195 O O . LEU A 1 24 ? 11.233 -13.402 -4.774 1.00 94.50 24 A 1 ATOM 196 C CB . LEU A 1 24 ? 10.743 -10.816 -2.825 1.00 95.41 24 A 1 ATOM 197 C CG . LEU A 1 24 ? 11.384 -9.513 -2.349 1.00 90.10 24 A 1 ATOM 198 C CD1 . LEU A 1 24 ? 11.050 -9.274 -0.882 1.00 82.34 24 A 1 ATOM 199 C CD2 . LEU A 1 24 ? 12.890 -9.555 -2.542 1.00 81.28 24 A 1 ATOM 200 N N . ALA A 1 25 ? 9.116 -12.686 -4.755 1.00 90.68 25 A 1 ATOM 201 C CA . ALA A 1 25 ? 8.532 -13.993 -5.021 1.00 89.21 25 A 1 ATOM 202 C C . ALA A 1 25 ? 8.462 -14.252 -6.522 1.00 86.00 25 A 1 ATOM 203 O O . ALA A 1 25 ? 9.072 -15.222 -6.997 1.00 83.22 25 A 1 ATOM 204 C CB . ALA A 1 25 ? 7.152 -14.095 -4.380 1.00 84.88 25 A 1 ATOM 205 O OXT . ALA A 1 25 ? 7.797 -13.479 -7.212 1.00 73.26 25 A 1 #