# 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_spkb08684 # _entry.id spkb08684 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "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" # _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 ALA 2 1 n ALA 3 1 n ASP 4 1 n SER 5 1 n GLN 6 1 n THR 7 1 n PRO 8 1 n TRP 9 1 n LEU 10 1 n LEU 11 1 n THR 12 1 n PHE 13 1 n SER 14 1 n LEU 15 1 n LEU 16 1 n CYS 17 1 n LEU 18 1 n LEU 19 1 n TRP 20 1 n PRO 21 1 n GLN 22 1 n GLU 23 1 n ALA 24 1 n GLY 25 1 n ALA 26 # _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 17:33:00)" _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 81.21 _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 62.51 1 1 A ALA 2 2 67.79 1 2 A ALA 3 2 70.17 1 3 A ASP 4 2 69.12 1 4 A SER 5 2 76.83 1 5 A GLN 6 2 73.98 1 6 A THR 7 2 80.27 1 7 A PRO 8 2 85.98 1 8 A TRP 9 2 81.04 1 9 A LEU 10 2 87.76 1 10 A LEU 11 2 87.47 1 11 A THR 12 2 89.41 1 12 A PHE 13 2 88.19 1 13 A SER 14 2 90.57 1 14 A LEU 15 2 88.92 1 15 A LEU 16 2 89.27 1 16 A CYS 17 2 91.57 1 17 A LEU 18 2 89.81 1 18 A LEU 19 2 89.51 1 19 A TRP 20 2 84.05 1 20 A PRO 21 2 88.18 1 21 A GLN 22 2 74.84 1 22 A GLU 23 2 72.95 1 23 A ALA 24 2 78.02 1 24 A GLY 25 2 71.78 1 25 A ALA 26 2 67.20 1 26 # _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 ALA . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n ASP . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n GLN . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n PRO . 8 A 8 A 9 1 n TRP . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n TRP . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n GLN . 22 A 22 A 23 1 n GLU . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n GLY . 25 A 25 A 26 1 n ALA . 26 A 26 # _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 ? -21.615 -3.256 1.284 1.00 64.00 1 A 1 ATOM 2 C CA . MET A 1 1 ? -20.335 -3.823 0.824 1.00 68.69 1 A 1 ATOM 3 C C . MET A 1 1 ? -19.228 -2.760 0.820 1.00 70.52 1 A 1 ATOM 4 O O . MET A 1 1 ? -18.527 -2.587 -0.175 1.00 66.23 1 A 1 ATOM 5 C CB . MET A 1 1 ? -20.497 -4.409 -0.590 1.00 63.97 1 A 1 ATOM 6 C CG . MET A 1 1 ? -21.464 -5.580 -0.633 1.00 60.55 1 A 1 ATOM 7 S SD . MET A 1 1 ? -21.846 -6.085 -2.326 1.00 55.60 1 A 1 ATOM 8 C CE . MET A 1 1 ? -22.844 -7.534 -2.012 1.00 50.55 1 A 1 ATOM 9 N N . ALA A 1 2 ? -19.090 -2.039 1.927 1.00 66.31 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -18.109 -0.958 2.027 1.00 69.47 2 A 1 ATOM 11 C C . ALA A 1 2 ? -16.685 -1.492 2.199 1.00 71.35 2 A 1 ATOM 12 O O . ALA A 1 2 ? -15.733 -0.922 1.669 1.00 67.38 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -18.478 -0.039 3.187 1.00 64.42 2 A 1 ATOM 14 N N . ALA A 1 3 ? -16.538 -2.603 2.942 1.00 69.08 3 A 1 ATOM 15 C CA . ALA A 1 3 ? -15.234 -3.217 3.187 1.00 71.74 3 A 1 ATOM 16 C C . ALA A 1 3 ? -14.637 -3.818 1.916 1.00 73.62 3 A 1 ATOM 17 O O . ALA A 1 3 ? -13.419 -3.809 1.735 1.00 69.31 3 A 1 ATOM 18 C CB . ALA A 1 3 ? -15.362 -4.283 4.271 1.00 67.08 3 A 1 ATOM 19 N N . ASP A 1 4 ? -15.502 -4.315 1.035 1.00 72.99 4 A 1 ATOM 20 C CA . ASP A 1 4 ? -15.076 -4.919 -0.229 1.00 76.31 4 A 1 ATOM 21 C C . ASP A 1 4 ? -14.381 -3.905 -1.134 1.00 78.61 4 A 1 ATOM 22 O O . ASP A 1 4 ? -13.451 -4.242 -1.869 1.00 73.48 4 A 1 ATOM 23 C CB . ASP A 1 4 ? -16.293 -5.515 -0.951 1.00 70.08 4 A 1 ATOM 24 C CG . ASP A 1 4 ? -15.908 -6.293 -2.194 1.00 62.67 4 A 1 ATOM 25 O OD1 . ASP A 1 4 ? -16.096 -5.759 -3.297 1.00 59.36 4 A 1 ATOM 26 O OD2 . ASP A 1 4 ? -15.441 -7.435 -2.051 1.00 59.50 4 A 1 ATOM 27 N N . SER A 1 5 ? -14.810 -2.646 -1.064 1.00 77.40 5 A 1 ATOM 28 C CA . SER A 1 5 ? -14.227 -1.567 -1.862 1.00 81.21 5 A 1 ATOM 29 C C . SER A 1 5 ? -12.862 -1.134 -1.320 1.00 82.82 5 A 1 ATOM 30 O O . SER A 1 5 ? -12.036 -0.598 -2.059 1.00 77.91 5 A 1 ATOM 31 C CB . SER A 1 5 ? -15.168 -0.365 -1.897 1.00 75.98 5 A 1 ATOM 32 O OG . SER A 1 5 ? -16.429 -0.722 -2.441 1.00 65.63 5 A 1 ATOM 33 N N . GLN A 1 6 ? -12.625 -1.372 -0.025 1.00 80.19 6 A 1 ATOM 34 C CA . GLN A 1 6 ? -11.382 -0.982 0.641 1.00 83.03 6 A 1 ATOM 35 C C . GLN A 1 6 ? -10.306 -2.065 0.542 1.00 84.69 6 A 1 ATOM 36 O O . GLN A 1 6 ? -9.113 -1.760 0.623 1.00 81.94 6 A 1 ATOM 37 C CB . GLN A 1 6 ? -11.656 -0.666 2.113 1.00 80.03 6 A 1 ATOM 38 C CG . GLN A 1 6 ? -12.556 0.542 2.315 1.00 70.96 6 A 1 ATOM 39 C CD . GLN A 1 6 ? -12.876 0.793 3.775 1.00 66.28 6 A 1 ATOM 40 O OE1 . GLN A 1 6 ? -11.982 0.922 4.607 1.00 61.81 6 A 1 ATOM 41 N NE2 . GLN A 1 6 ? -14.144 0.867 4.121 1.00 56.91 6 A 1 ATOM 42 N N . THR A 1 7 ? -10.711 -3.320 0.365 1.00 82.48 7 A 1 ATOM 43 C CA . THR A 1 7 ? -9.790 -4.459 0.280 1.00 85.24 7 A 1 ATOM 44 C C . THR A 1 7 ? -8.714 -4.288 -0.805 1.00 87.24 7 A 1 ATOM 45 O O . THR A 1 7 ? -7.530 -4.480 -0.509 1.00 85.77 7 A 1 ATOM 46 C CB . THR A 1 7 ? -10.563 -5.771 0.065 1.00 81.62 7 A 1 ATOM 47 O OG1 . THR A 1 7 ? -11.521 -5.932 1.105 1.00 71.58 7 A 1 ATOM 48 C CG2 . THR A 1 7 ? -9.632 -6.975 0.079 1.00 67.98 7 A 1 ATOM 49 N N . PRO A 1 8 ? -9.077 -3.910 -2.054 1.00 86.65 8 A 1 ATOM 50 C CA . PRO A 1 8 ? -8.060 -3.712 -3.099 1.00 89.12 8 A 1 ATOM 51 C C . PRO A 1 8 ? -7.118 -2.554 -2.784 1.00 90.92 8 A 1 ATOM 52 O O . PRO A 1 8 ? -5.929 -2.612 -3.099 1.00 87.20 8 A 1 ATOM 53 C CB . PRO A 1 8 ? -8.880 -3.436 -4.368 1.00 85.20 8 A 1 ATOM 54 C CG . PRO A 1 8 ? -10.201 -2.943 -3.872 1.00 80.23 8 A 1 ATOM 55 C CD . PRO A 1 8 ? -10.427 -3.687 -2.585 1.00 82.51 8 A 1 ATOM 56 N N . TRP A 1 9 ? -7.638 -1.510 -2.132 1.00 87.36 9 A 1 ATOM 57 C CA . TRP A 1 9 ? -6.831 -0.359 -1.734 1.00 88.82 9 A 1 ATOM 58 C C . TRP A 1 9 ? -5.829 -0.762 -0.655 1.00 91.47 9 A 1 ATOM 59 O O . TRP A 1 9 ? -4.660 -0.374 -0.712 1.00 90.46 9 A 1 ATOM 60 C CB . TRP A 1 9 ? -7.729 0.773 -1.235 1.00 86.49 9 A 1 ATOM 61 C CG . TRP A 1 9 ? -6.980 2.027 -0.936 1.00 82.11 9 A 1 ATOM 62 C CD1 . TRP A 1 9 ? -6.664 3.012 -1.814 1.00 77.44 9 A 1 ATOM 63 C CD2 . TRP A 1 9 ? -6.426 2.439 0.330 1.00 80.07 9 A 1 ATOM 64 N NE1 . TRP A 1 9 ? -5.953 4.004 -1.179 1.00 74.61 9 A 1 ATOM 65 C CE2 . TRP A 1 9 ? -5.789 3.688 0.138 1.00 78.89 9 A 1 ATOM 66 C CE3 . TRP A 1 9 ? -6.411 1.870 1.612 1.00 73.04 9 A 1 ATOM 67 C CZ2 . TRP A 1 9 ? -5.148 4.365 1.186 1.00 77.94 9 A 1 ATOM 68 C CZ3 . TRP A 1 9 ? -5.769 2.548 2.661 1.00 73.16 9 A 1 ATOM 69 C CH2 . TRP A 1 9 ? -5.147 3.782 2.441 1.00 72.65 9 A 1 ATOM 70 N N . LEU A 1 10 ? -6.275 -1.564 0.318 1.00 90.60 10 A 1 ATOM 71 C CA . LEU A 1 10 ? -5.416 -2.056 1.393 1.00 91.75 10 A 1 ATOM 72 C C . LEU A 1 10 ? -4.280 -2.912 0.837 1.00 93.14 10 A 1 ATOM 73 O O . LEU A 1 10 ? -3.136 -2.810 1.280 1.00 92.90 10 A 1 ATOM 74 C CB . LEU A 1 10 ? -6.241 -2.874 2.393 1.00 91.01 10 A 1 ATOM 75 C CG . LEU A 1 10 ? -5.542 -3.100 3.735 1.00 83.01 10 A 1 ATOM 76 C CD1 . LEU A 1 10 ? -5.894 -1.989 4.718 1.00 79.83 10 A 1 ATOM 77 C CD2 . LEU A 1 10 ? -5.928 -4.449 4.325 1.00 79.83 10 A 1 ATOM 78 N N . LEU A 1 11 ? -4.593 -3.751 -0.143 1.00 90.98 11 A 1 ATOM 79 C CA . LEU A 1 11 ? -3.610 -4.616 -0.794 1.00 91.27 11 A 1 ATOM 80 C C . LEU A 1 11 ? -2.565 -3.780 -1.530 1.00 92.78 11 A 1 ATOM 81 O O . LEU A 1 11 ? -1.365 -4.049 -1.440 1.00 92.80 11 A 1 ATOM 82 C CB . LEU A 1 11 ? -4.327 -5.580 -1.750 1.00 90.91 11 A 1 ATOM 83 C CG . LEU A 1 11 ? -3.483 -6.769 -2.224 1.00 82.68 11 A 1 ATOM 84 C CD1 . LEU A 1 11 ? -4.356 -8.009 -2.386 1.00 79.09 11 A 1 ATOM 85 C CD2 . LEU A 1 11 ? -2.795 -6.465 -3.546 1.00 79.26 11 A 1 ATOM 86 N N . THR A 1 12 ? -3.019 -2.751 -2.244 1.00 91.34 12 A 1 ATOM 87 C CA . THR A 1 12 ? -2.131 -1.835 -2.967 1.00 92.04 12 A 1 ATOM 88 C C . THR A 1 12 ? -1.211 -1.102 -1.996 1.00 92.99 12 A 1 ATOM 89 O O . THR A 1 12 ? -0.012 -0.961 -2.249 1.00 92.19 12 A 1 ATOM 90 C CB . THR A 1 12 ? -2.945 -0.819 -3.784 1.00 90.46 12 A 1 ATOM 91 O OG1 . THR A 1 12 ? -3.818 -1.504 -4.679 1.00 84.65 12 A 1 ATOM 92 C CG2 . THR A 1 12 ? -2.040 0.083 -4.612 1.00 82.21 12 A 1 ATOM 93 N N . PHE A 1 13 ? -1.764 -0.659 -0.868 1.00 91.17 13 A 1 ATOM 94 C CA . PHE A 1 13 ? -0.999 0.033 0.165 1.00 91.53 13 A 1 ATOM 95 C C . PHE A 1 13 ? 0.074 -0.882 0.752 1.00 92.95 13 A 1 ATOM 96 O O . PHE A 1 13 ? 1.206 -0.453 0.981 1.00 92.20 13 A 1 ATOM 97 C CB . PHE A 1 13 ? -1.941 0.533 1.261 1.00 90.72 13 A 1 ATOM 98 C CG . PHE A 1 13 ? -1.254 1.374 2.310 1.00 88.88 13 A 1 ATOM 99 C CD1 . PHE A 1 13 ? -0.879 2.687 2.031 1.00 85.74 13 A 1 ATOM 100 C CD2 . PHE A 1 13 ? -0.982 0.846 3.566 1.00 85.49 13 A 1 ATOM 101 C CE1 . PHE A 1 13 ? -0.240 3.463 2.990 1.00 84.10 13 A 1 ATOM 102 C CE2 . PHE A 1 13 ? -0.339 1.619 4.528 1.00 83.64 13 A 1 ATOM 103 C CZ . PHE A 1 13 ? 0.035 2.927 4.243 1.00 83.66 13 A 1 ATOM 104 N N . SER A 1 14 ? -0.271 -2.148 0.973 1.00 91.80 14 A 1 ATOM 105 C CA . SER A 1 14 ? 0.676 -3.130 1.501 1.00 92.24 14 A 1 ATOM 106 C C . SER A 1 14 ? 1.848 -3.340 0.542 1.00 92.95 14 A 1 ATOM 107 O O . SER A 1 14 ? 3.002 -3.403 0.968 1.00 91.89 14 A 1 ATOM 108 C CB . SER A 1 14 ? -0.023 -4.467 1.763 1.00 91.70 14 A 1 ATOM 109 O OG . SER A 1 14 ? -1.037 -4.323 2.743 1.00 82.85 14 A 1 ATOM 110 N N . LEU A 1 15 ? 1.553 -3.418 -0.750 1.00 91.84 15 A 1 ATOM 111 C CA . LEU A 1 15 ? 2.583 -3.556 -1.780 1.00 91.80 15 A 1 ATOM 112 C C . LEU A 1 15 ? 3.488 -2.327 -1.813 1.00 92.69 15 A 1 ATOM 113 O O . LEU A 1 15 ? 4.707 -2.450 -1.959 1.00 91.92 15 A 1 ATOM 114 C CB . LEU A 1 15 ? 1.931 -3.763 -3.152 1.00 91.19 15 A 1 ATOM 115 C CG . LEU A 1 15 ? 1.328 -5.153 -3.372 1.00 85.52 15 A 1 ATOM 116 C CD1 . LEU A 1 15 ? 0.477 -5.170 -4.637 1.00 83.14 15 A 1 ATOM 117 C CD2 . LEU A 1 15 ? 2.426 -6.209 -3.477 1.00 83.25 15 A 1 ATOM 118 N N . LEU A 1 16 ? 2.896 -1.148 -1.659 1.00 92.25 16 A 1 ATOM 119 C CA . LEU A 1 16 ? 3.637 0.110 -1.625 1.00 91.98 16 A 1 ATOM 120 C C . LEU A 1 16 ? 4.591 0.141 -0.432 1.00 92.56 16 A 1 ATOM 121 O O . LEU A 1 16 ? 5.742 0.560 -0.564 1.00 91.79 16 A 1 ATOM 122 C CB . LEU A 1 16 ? 2.659 1.289 -1.559 1.00 91.14 16 A 1 ATOM 123 C CG . LEU A 1 16 ? 3.288 2.657 -1.833 1.00 86.10 16 A 1 ATOM 124 C CD1 . LEU A 1 16 ? 3.551 2.841 -3.327 1.00 84.15 16 A 1 ATOM 125 C CD2 . LEU A 1 16 ? 2.380 3.769 -1.336 1.00 84.21 16 A 1 ATOM 126 N N . CYS A 1 17 ? 4.123 -0.322 0.733 1.00 92.47 17 A 1 ATOM 127 C CA . CYS A 1 17 ? 4.932 -0.376 1.946 1.00 92.54 17 A 1 ATOM 128 C C . CYS A 1 17 ? 6.130 -1.320 1.793 1.00 92.62 17 A 1 ATOM 129 O O . CYS A 1 17 ? 7.185 -1.085 2.381 1.00 90.83 17 A 1 ATOM 130 C CB . CYS A 1 17 ? 4.066 -0.813 3.137 1.00 91.44 17 A 1 ATOM 131 S SG . CYS A 1 17 ? 2.922 0.473 3.668 1.00 89.54 17 A 1 ATOM 132 N N . LEU A 1 18 ? 5.974 -2.378 1.006 1.00 92.83 18 A 1 ATOM 133 C CA . LEU A 1 18 ? 7.056 -3.325 0.742 1.00 92.25 18 A 1 ATOM 134 C C . LEU A 1 18 ? 8.063 -2.751 -0.258 1.00 92.40 18 A 1 ATOM 135 O O . LEU A 1 18 ? 9.263 -3.025 -0.167 1.00 90.54 18 A 1 ATOM 136 C CB . LEU A 1 18 ? 6.476 -4.646 0.210 1.00 91.53 18 A 1 ATOM 137 C CG . LEU A 1 18 ? 5.682 -5.464 1.235 1.00 87.93 18 A 1 ATOM 138 C CD1 . LEU A 1 18 ? 4.930 -6.597 0.547 1.00 85.34 18 A 1 ATOM 139 C CD2 . LEU A 1 18 ? 6.607 -6.036 2.307 1.00 85.67 18 A 1 ATOM 140 N N . LEU A 1 19 ? 7.578 -1.957 -1.203 1.00 93.06 19 A 1 ATOM 141 C CA . LEU A 1 19 ? 8.410 -1.331 -2.232 1.00 92.02 19 A 1 ATOM 142 C C . LEU A 1 19 ? 9.159 -0.112 -1.693 1.00 92.10 19 A 1 ATOM 143 O O . LEU A 1 19 ? 10.304 0.139 -2.076 1.00 90.32 19 A 1 ATOM 144 C CB . LEU A 1 19 ? 7.527 -0.929 -3.421 1.00 91.13 19 A 1 ATOM 145 C CG . LEU A 1 19 ? 8.273 -0.413 -4.655 1.00 88.11 19 A 1 ATOM 146 C CD1 . LEU A 1 19 ? 9.050 -1.539 -5.336 1.00 84.80 19 A 1 ATOM 147 C CD2 . LEU A 1 19 ? 7.299 0.208 -5.641 1.00 84.52 19 A 1 ATOM 148 N N . TRP A 1 20 ? 8.517 0.634 -0.796 1.00 92.35 20 A 1 ATOM 149 C CA . TRP A 1 20 ? 9.066 1.865 -0.221 1.00 91.59 20 A 1 ATOM 150 C C . TRP A 1 20 ? 10.480 1.705 0.355 1.00 91.86 20 A 1 ATOM 151 O O . TRP A 1 20 ? 11.368 2.482 -0.007 1.00 89.80 20 A 1 ATOM 152 C CB . TRP A 1 20 ? 8.105 2.430 0.834 1.00 89.54 20 A 1 ATOM 153 C CG . TRP A 1 20 ? 8.576 3.711 1.447 1.00 86.51 20 A 1 ATOM 154 C CD1 . TRP A 1 20 ? 9.202 3.850 2.646 1.00 80.66 20 A 1 ATOM 155 C CD2 . TRP A 1 20 ? 8.478 5.033 0.887 1.00 83.22 20 A 1 ATOM 156 N NE1 . TRP A 1 20 ? 9.503 5.179 2.866 1.00 79.75 20 A 1 ATOM 157 C CE2 . TRP A 1 20 ? 9.067 5.935 1.809 1.00 82.52 20 A 1 ATOM 158 C CE3 . TRP A 1 20 ? 7.945 5.546 -0.300 1.00 78.56 20 A 1 ATOM 159 C CZ2 . TRP A 1 20 ? 9.136 7.312 1.566 1.00 78.45 20 A 1 ATOM 160 C CZ3 . TRP A 1 20 ? 8.012 6.916 -0.546 1.00 75.77 20 A 1 ATOM 161 C CH2 . TRP A 1 20 ? 8.603 7.791 0.384 1.00 76.18 20 A 1 ATOM 162 N N . PRO A 1 21 ? 10.749 0.725 1.254 1.00 92.17 21 A 1 ATOM 163 C CA . PRO A 1 21 ? 12.089 0.591 1.844 1.00 90.43 21 A 1 ATOM 164 C C . PRO A 1 21 ? 13.160 0.221 0.821 1.00 89.27 21 A 1 ATOM 165 O O . PRO A 1 21 ? 14.344 0.479 1.048 1.00 83.69 21 A 1 ATOM 166 C CB . PRO A 1 21 ? 11.921 -0.523 2.886 1.00 87.41 21 A 1 ATOM 167 C CG . PRO A 1 21 ? 10.734 -1.302 2.419 1.00 85.38 21 A 1 ATOM 168 C CD . PRO A 1 21 ? 9.829 -0.282 1.786 1.00 88.91 21 A 1 ATOM 169 N N . GLN A 1 22 ? 12.759 -0.363 -0.294 1.00 85.36 22 A 1 ATOM 170 C CA . GLN A 1 22 ? 13.697 -0.746 -1.347 1.00 83.45 22 A 1 ATOM 171 C C . GLN A 1 22 ? 14.214 0.474 -2.103 1.00 81.86 22 A 1 ATOM 172 O O . GLN A 1 22 ? 15.391 0.523 -2.465 1.00 79.30 22 A 1 ATOM 173 C CB . GLN A 1 22 ? 13.039 -1.730 -2.321 1.00 80.23 22 A 1 ATOM 174 C CG . GLN A 1 22 ? 12.642 -3.037 -1.658 1.00 72.13 22 A 1 ATOM 175 C CD . GLN A 1 22 ? 12.096 -4.040 -2.651 1.00 68.63 22 A 1 ATOM 176 O OE1 . GLN A 1 22 ? 10.967 -3.934 -3.109 1.00 62.99 22 A 1 ATOM 177 N NE2 . GLN A 1 22 ? 12.883 -5.034 -3.002 1.00 59.65 22 A 1 ATOM 178 N N . GLU A 1 23 ? 13.335 1.449 -2.338 1.00 82.09 23 A 1 ATOM 179 C CA . GLU A 1 23 ? 13.740 2.674 -3.032 1.00 81.45 23 A 1 ATOM 180 C C . GLU A 1 23 ? 14.327 3.708 -2.070 1.00 78.93 23 A 1 ATOM 181 O O . GLU A 1 23 ? 15.211 4.476 -2.452 1.00 74.65 23 A 1 ATOM 182 C CB . GLU A 1 23 ? 12.552 3.264 -3.811 1.00 78.73 23 A 1 ATOM 183 C CG . GLU A 1 23 ? 11.406 3.750 -2.930 1.00 69.96 23 A 1 ATOM 184 C CD . GLU A 1 23 ? 10.274 4.382 -3.739 1.00 67.60 23 A 1 ATOM 185 O OE1 . GLU A 1 23 ? 9.136 4.419 -3.231 1.00 60.96 23 A 1 ATOM 186 O OE2 . GLU A 1 23 ? 10.529 4.850 -4.856 1.00 62.15 23 A 1 ATOM 187 N N . ALA A 1 24 ? 13.858 3.711 -0.824 1.00 81.46 24 A 1 ATOM 188 C CA . ALA A 1 24 ? 14.329 4.656 0.185 1.00 79.62 24 A 1 ATOM 189 C C . ALA A 1 24 ? 15.677 4.240 0.772 1.00 79.04 24 A 1 ATOM 190 O O . ALA A 1 24 ? 16.444 5.082 1.239 1.00 73.75 24 A 1 ATOM 191 C CB . ALA A 1 24 ? 13.287 4.799 1.297 1.00 76.22 24 A 1 ATOM 192 N N . GLY A 1 25 ? 15.968 2.947 0.765 1.00 75.03 25 A 1 ATOM 193 C CA . GLY A 1 25 ? 17.221 2.414 1.298 1.00 73.12 25 A 1 ATOM 194 C C . GLY A 1 25 ? 18.312 2.252 0.255 1.00 71.84 25 A 1 ATOM 195 O O . GLY A 1 25 ? 19.392 1.750 0.566 1.00 67.15 25 A 1 ATOM 196 N N . ALA A 1 26 ? 18.047 2.670 -0.977 1.00 75.81 26 A 1 ATOM 197 C CA . ALA A 1 26 ? 19.002 2.567 -2.073 1.00 73.61 26 A 1 ATOM 198 C C . ALA A 1 26 ? 19.895 3.807 -2.153 1.00 68.60 26 A 1 ATOM 199 O O . ALA A 1 26 ? 19.445 4.901 -1.774 1.00 61.00 26 A 1 ATOM 200 C CB . ALA A 1 26 ? 18.262 2.348 -3.391 1.00 65.32 26 A 1 ATOM 201 O OXT . ALA A 1 26 ? 21.048 3.679 -2.611 1.00 58.84 26 A 1 #