# 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_spkb38225 # _entry.id spkb38225 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "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" # _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 PRO 2 1 n PHE 3 1 n LEU 4 1 n LYS 5 1 n THR 6 1 n LEU 7 1 n PHE 8 1 n ARG 9 1 n GLY 10 1 n ALA 11 1 n LEU 12 1 n CYS 13 1 n SER 14 1 n ILE 15 1 n ALA 16 1 n CYS 17 1 n GLY 18 1 n ALA 19 1 n SER 20 1 n LEU 21 1 n PHE 22 1 n CYS 23 # _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 17:33:26)" _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 88.26 _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 76.55 1 1 A PRO 2 2 90.97 1 2 A PHE 3 2 86.23 1 3 A LEU 4 2 91.25 1 4 A LYS 5 2 86.92 1 5 A THR 6 2 90.71 1 6 A LEU 7 2 89.95 1 7 A PHE 8 2 89.68 1 8 A ARG 9 2 84.56 1 9 A GLY 10 2 90.00 1 10 A ALA 11 2 94.35 1 11 A LEU 12 2 91.02 1 12 A CYS 13 2 90.90 1 13 A SER 14 2 91.25 1 14 A ILE 15 2 92.13 1 15 A ALA 16 2 94.13 1 16 A CYS 17 2 90.89 1 17 A GLY 18 2 91.70 1 18 A ALA 19 2 90.99 1 19 A SER 20 2 87.14 1 20 A LEU 21 2 84.85 1 21 A PHE 22 2 84.11 1 22 A CYS 23 2 83.01 1 23 # _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 PRO . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n PHE . 22 A 22 A 23 1 n CYS . 23 A 23 # _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 ? -6.429 2.505 15.632 1.00 82.02 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.550 3.398 14.854 1.00 84.70 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.468 2.954 13.389 1.00 86.89 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.515 2.276 13.004 1.00 81.83 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.144 3.405 15.461 1.00 76.98 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.122 3.962 16.874 1.00 73.01 1 A 1 ATOM 7 S SD . MET A 1 1 ? -2.461 3.941 17.568 1.00 67.27 1 A 1 ATOM 8 C CE . MET A 1 1 ? -2.768 4.733 19.138 1.00 59.68 1 A 1 ATOM 9 N N . PRO A 1 2 ? -6.456 3.321 12.557 1.00 92.74 2 A 1 ATOM 10 C CA . PRO A 1 2 ? -6.470 2.943 11.137 1.00 93.36 2 A 1 ATOM 11 C C . PRO A 1 2 ? -5.436 3.710 10.316 1.00 94.15 2 A 1 ATOM 12 O O . PRO A 1 2 ? -4.940 3.211 9.303 1.00 90.64 2 A 1 ATOM 13 C CB . PRO A 1 2 ? -7.896 3.292 10.691 1.00 89.44 2 A 1 ATOM 14 C CG . PRO A 1 2 ? -8.314 4.393 11.611 1.00 86.58 2 A 1 ATOM 15 C CD . PRO A 1 2 ? -7.618 4.128 12.926 1.00 89.88 2 A 1 ATOM 16 N N . PHE A 1 3 ? -5.102 4.917 10.754 1.00 91.39 3 A 1 ATOM 17 C CA . PHE A 1 3 ? -4.128 5.758 10.058 1.00 91.76 3 A 1 ATOM 18 C C . PHE A 1 3 ? -2.746 5.107 10.017 1.00 93.04 3 A 1 ATOM 19 O O . PHE A 1 3 ? -2.020 5.238 9.030 1.00 91.65 3 A 1 ATOM 20 C CB . PHE A 1 3 ? -4.049 7.120 10.752 1.00 89.62 3 A 1 ATOM 21 C CG . PHE A 1 3 ? -3.078 8.060 10.093 1.00 85.84 3 A 1 ATOM 22 C CD1 . PHE A 1 3 ? -3.345 8.583 8.836 1.00 83.05 3 A 1 ATOM 23 C CD2 . PHE A 1 3 ? -1.900 8.414 10.734 1.00 82.37 3 A 1 ATOM 24 C CE1 . PHE A 1 3 ? -2.448 9.451 8.225 1.00 79.63 3 A 1 ATOM 25 C CE2 . PHE A 1 3 ? -0.997 9.282 10.126 1.00 80.97 3 A 1 ATOM 26 C CZ . PHE A 1 3 ? -1.274 9.802 8.871 1.00 79.23 3 A 1 ATOM 27 N N . LEU A 1 4 ? -2.399 4.393 11.077 1.00 94.87 4 A 1 ATOM 28 C CA . LEU A 1 4 ? -1.102 3.720 11.164 1.00 95.15 4 A 1 ATOM 29 C C . LEU A 1 4 ? -0.974 2.649 10.084 1.00 95.26 4 A 1 ATOM 30 O O . LEU A 1 4 ? 0.049 2.537 9.412 1.00 94.28 4 A 1 ATOM 31 C CB . LEU A 1 4 ? -0.927 3.090 12.558 1.00 94.59 4 A 1 ATOM 32 C CG . LEU A 1 4 ? 0.477 3.187 13.147 1.00 89.07 4 A 1 ATOM 33 C CD1 . LEU A 1 4 ? 1.513 2.524 12.254 1.00 84.06 4 A 1 ATOM 34 C CD2 . LEU A 1 4 ? 0.848 4.642 13.395 1.00 82.68 4 A 1 ATOM 35 N N . LYS A 1 5 ? -2.031 1.863 9.895 1.00 93.30 5 A 1 ATOM 36 C CA . LYS A 1 5 ? -2.044 0.795 8.892 1.00 92.30 5 A 1 ATOM 37 C C . LYS A 1 5 ? -1.976 1.373 7.479 1.00 91.75 5 A 1 ATOM 38 O O . LYS A 1 5 ? -1.258 0.860 6.622 1.00 91.11 5 A 1 ATOM 39 C CB . LYS A 1 5 ? -3.301 -0.060 9.051 1.00 91.79 5 A 1 ATOM 40 C CG . LYS A 1 5 ? -3.331 -0.822 10.368 1.00 86.63 5 A 1 ATOM 41 C CD . LYS A 1 5 ? -4.607 -1.630 10.503 1.00 84.08 5 A 1 ATOM 42 C CE . LYS A 1 5 ? -4.631 -2.391 11.822 1.00 78.68 5 A 1 ATOM 43 N NZ . LYS A 1 5 ? -5.912 -3.123 12.001 1.00 72.66 5 A 1 ATOM 44 N N . THR A 1 6 ? -2.710 2.438 7.248 1.00 93.96 6 A 1 ATOM 45 C CA . THR A 1 6 ? -2.734 3.096 5.939 1.00 92.81 6 A 1 ATOM 46 C C . THR A 1 6 ? -1.368 3.695 5.606 1.00 92.77 6 A 1 ATOM 47 O O . THR A 1 6 ? -0.903 3.602 4.468 1.00 91.12 6 A 1 ATOM 48 C CB . THR A 1 6 ? -3.796 4.203 5.915 1.00 91.92 6 A 1 ATOM 49 O OG1 . THR A 1 6 ? -5.050 3.681 6.337 1.00 86.83 6 A 1 ATOM 50 C CG2 . THR A 1 6 ? -3.957 4.773 4.513 1.00 85.53 6 A 1 ATOM 51 N N . LEU A 1 7 ? -0.726 4.285 6.597 1.00 93.92 7 A 1 ATOM 52 C CA . LEU A 1 7 ? 0.590 4.895 6.421 1.00 92.89 7 A 1 ATOM 53 C C . LEU A 1 7 ? 1.638 3.830 6.101 1.00 93.00 7 A 1 ATOM 54 O O . LEU A 1 7 ? 2.447 3.991 5.186 1.00 91.92 7 A 1 ATOM 55 C CB . LEU A 1 7 ? 0.959 5.674 7.688 1.00 92.43 7 A 1 ATOM 56 C CG . LEU A 1 7 ? 2.074 6.704 7.513 1.00 88.05 7 A 1 ATOM 57 C CD1 . LEU A 1 7 ? 1.993 7.761 8.608 1.00 83.98 7 A 1 ATOM 58 C CD2 . LEU A 1 7 ? 3.449 6.048 7.558 1.00 83.44 7 A 1 ATOM 59 N N . PHE A 1 8 ? 1.602 2.731 6.842 1.00 92.42 8 A 1 ATOM 60 C CA . PHE A 1 8 ? 2.565 1.648 6.661 1.00 91.87 8 A 1 ATOM 61 C C . PHE A 1 8 ? 2.365 0.949 5.322 1.00 91.98 8 A 1 ATOM 62 O O . PHE A 1 8 ? 3.316 0.724 4.572 1.00 90.91 8 A 1 ATOM 63 C CB . PHE A 1 8 ? 2.420 0.653 7.813 1.00 91.89 8 A 1 ATOM 64 C CG . PHE A 1 8 ? 3.698 -0.084 8.117 1.00 90.58 8 A 1 ATOM 65 C CD1 . PHE A 1 8 ? 4.782 0.585 8.662 1.00 86.94 8 A 1 ATOM 66 C CD2 . PHE A 1 8 ? 3.796 -1.443 7.863 1.00 87.37 8 A 1 ATOM 67 C CE1 . PHE A 1 8 ? 5.956 -0.097 8.946 1.00 87.09 8 A 1 ATOM 68 C CE2 . PHE A 1 8 ? 4.973 -2.128 8.147 1.00 87.32 8 A 1 ATOM 69 C CZ . PHE A 1 8 ? 6.053 -1.453 8.687 1.00 88.11 8 A 1 ATOM 70 N N . ARG A 1 9 ? 1.129 0.609 5.006 1.00 92.80 9 A 1 ATOM 71 C CA . ARG A 1 9 ? 0.788 -0.066 3.748 1.00 91.89 9 A 1 ATOM 72 C C . ARG A 1 9 ? 1.048 0.841 2.553 1.00 92.13 9 A 1 ATOM 73 O O . ARG A 1 9 ? 1.544 0.386 1.521 1.00 90.59 9 A 1 ATOM 74 C CB . ARG A 1 9 ? -0.672 -0.505 3.798 1.00 90.50 9 A 1 ATOM 75 C CG . ARG A 1 9 ? -1.031 -1.492 2.693 1.00 85.17 9 A 1 ATOM 76 C CD . ARG A 1 9 ? -1.927 -0.830 1.663 1.00 83.77 9 A 1 ATOM 77 N NE . ARG A 1 9 ? -2.317 -1.780 0.604 1.00 79.82 9 A 1 ATOM 78 C CZ . ARG A 1 9 ? -3.001 -1.442 -0.475 1.00 78.37 9 A 1 ATOM 79 N NH1 . ARG A 1 9 ? -3.383 -0.197 -0.675 1.00 72.72 9 A 1 ATOM 80 N NH2 . ARG A 1 9 ? -3.306 -2.354 -1.378 1.00 72.41 9 A 1 ATOM 81 N N . GLY A 1 10 ? 0.709 2.113 2.692 1.00 89.49 10 A 1 ATOM 82 C CA . GLY A 1 10 ? 0.928 3.084 1.619 1.00 89.46 10 A 1 ATOM 83 C C . GLY A 1 10 ? 2.402 3.262 1.299 1.00 91.13 10 A 1 ATOM 84 O O . GLY A 1 10 ? 2.786 3.347 0.132 1.00 89.92 10 A 1 ATOM 85 N N . ALA A 1 11 ? 3.232 3.305 2.330 1.00 94.09 11 A 1 ATOM 86 C CA . ALA A 1 11 ? 4.674 3.454 2.150 1.00 94.52 11 A 1 ATOM 87 C C . ALA A 1 11 ? 5.272 2.252 1.427 1.00 95.24 11 A 1 ATOM 88 O O . ALA A 1 11 ? 6.060 2.409 0.495 1.00 93.76 11 A 1 ATOM 89 C CB . ALA A 1 11 ? 5.342 3.645 3.509 1.00 94.16 11 A 1 ATOM 90 N N . LEU A 1 12 ? 4.880 1.047 1.839 1.00 93.50 12 A 1 ATOM 91 C CA . LEU A 1 12 ? 5.377 -0.181 1.225 1.00 93.27 12 A 1 ATOM 92 C C . LEU A 1 12 ? 4.929 -0.292 -0.228 1.00 93.53 12 A 1 ATOM 93 O O . LEU A 1 12 ? 5.715 -0.667 -1.099 1.00 92.28 12 A 1 ATOM 94 C CB . LEU A 1 12 ? 4.879 -1.393 2.016 1.00 92.88 12 A 1 ATOM 95 C CG . LEU A 1 12 ? 5.528 -1.560 3.388 1.00 89.92 12 A 1 ATOM 96 C CD1 . LEU A 1 12 ? 4.793 -2.625 4.190 1.00 86.23 12 A 1 ATOM 97 C CD2 . LEU A 1 12 ? 6.994 -1.947 3.242 1.00 86.52 12 A 1 ATOM 98 N N . CYS A 1 13 ? 3.678 0.033 -0.492 1.00 93.44 13 A 1 ATOM 99 C CA . CYS A 1 13 ? 3.129 -0.024 -1.845 1.00 92.46 13 A 1 ATOM 100 C C . CYS A 1 13 ? 3.833 0.971 -2.768 1.00 93.02 13 A 1 ATOM 101 O O . CYS A 1 13 ? 4.124 0.666 -3.921 1.00 90.88 13 A 1 ATOM 102 C CB . CYS A 1 13 ? 1.628 0.249 -1.797 1.00 90.31 13 A 1 ATOM 103 S SG . CYS A 1 13 ? 0.775 -0.100 -3.343 1.00 85.32 13 A 1 ATOM 104 N N . SER A 1 14 ? 4.129 2.153 -2.245 1.00 92.28 14 A 1 ATOM 105 C CA . SER A 1 14 ? 4.816 3.185 -3.020 1.00 93.11 14 A 1 ATOM 106 C C . SER A 1 14 ? 6.240 2.761 -3.378 1.00 94.18 14 A 1 ATOM 107 O O . SER A 1 14 ? 6.713 3.026 -4.479 1.00 93.41 14 A 1 ATOM 108 C CB . SER A 1 14 ? 4.856 4.496 -2.239 1.00 91.51 14 A 1 ATOM 109 O OG . SER A 1 14 ? 3.550 4.981 -2.007 1.00 83.02 14 A 1 ATOM 110 N N . ILE A 1 15 ? 6.913 2.090 -2.457 1.00 94.37 15 A 1 ATOM 111 C CA . ILE A 1 15 ? 8.280 1.626 -2.682 1.00 94.25 15 A 1 ATOM 112 C C . ILE A 1 15 ? 8.311 0.464 -3.670 1.00 94.80 15 A 1 ATOM 113 O O . ILE A 1 15 ? 9.149 0.426 -4.576 1.00 93.64 15 A 1 ATOM 114 C CB . ILE A 1 15 ? 8.934 1.212 -1.349 1.00 93.69 15 A 1 ATOM 115 C CG1 . ILE A 1 15 ? 9.080 2.431 -0.424 1.00 90.73 15 A 1 ATOM 116 C CG2 . ILE A 1 15 ? 10.306 0.578 -1.597 1.00 89.32 15 A 1 ATOM 117 C CD1 . ILE A 1 15 ? 9.382 2.062 1.016 1.00 86.28 15 A 1 ATOM 118 N N . ALA A 1 16 ? 7.397 -0.489 -3.492 1.00 94.72 16 A 1 ATOM 119 C CA . ALA A 1 16 ? 7.357 -1.688 -4.326 1.00 94.57 16 A 1 ATOM 120 C C . ALA A 1 16 ? 6.818 -1.406 -5.727 1.00 94.96 16 A 1 ATOM 121 O O . ALA A 1 16 ? 7.387 -1.862 -6.719 1.00 92.90 16 A 1 ATOM 122 C CB . ALA A 1 16 ? 6.511 -2.758 -3.642 1.00 93.49 16 A 1 ATOM 123 N N . CYS A 1 17 ? 5.722 -0.660 -5.807 1.00 93.01 17 A 1 ATOM 124 C CA . CYS A 1 17 ? 5.050 -0.400 -7.076 1.00 92.76 17 A 1 ATOM 125 C C . CYS A 1 17 ? 5.408 0.959 -7.672 1.00 93.37 17 A 1 ATOM 126 O O . CYS A 1 17 ? 5.194 1.197 -8.857 1.00 90.96 17 A 1 ATOM 127 C CB . CYS A 1 17 ? 3.539 -0.523 -6.884 1.00 90.30 17 A 1 ATOM 128 S SG . CYS A 1 17 ? 3.041 -2.133 -6.209 1.00 84.96 17 A 1 ATOM 129 N N . GLY A 1 18 ? 5.958 1.834 -6.857 1.00 91.55 18 A 1 ATOM 130 C CA . GLY A 1 18 ? 6.335 3.172 -7.315 1.00 91.55 18 A 1 ATOM 131 C C . GLY A 1 18 ? 5.206 4.177 -7.228 1.00 92.61 18 A 1 ATOM 132 O O . GLY A 1 18 ? 5.440 5.387 -7.258 1.00 91.11 18 A 1 ATOM 133 N N . ALA A 1 19 ? 3.979 3.692 -7.125 1.00 91.30 19 A 1 ATOM 134 C CA . ALA A 1 19 ? 2.804 4.550 -7.005 1.00 91.37 19 A 1 ATOM 135 C C . ALA A 1 19 ? 1.674 3.810 -6.303 1.00 92.36 19 A 1 ATOM 136 O O . ALA A 1 19 ? 1.194 2.796 -6.795 1.00 89.77 19 A 1 ATOM 137 C CB . ALA A 1 19 ? 2.357 5.009 -8.388 1.00 90.13 19 A 1 ATOM 138 N N . SER A 1 20 ? 1.246 4.329 -5.174 1.00 90.22 20 A 1 ATOM 139 C CA . SER A 1 20 ? 0.179 3.710 -4.382 1.00 89.76 20 A 1 ATOM 140 C C . SER A 1 20 ? -1.132 3.603 -5.158 1.00 90.08 20 A 1 ATOM 141 O O . SER A 1 20 ? -1.950 2.728 -4.890 1.00 87.76 20 A 1 ATOM 142 C CB . SER A 1 20 ? -0.052 4.511 -3.105 1.00 87.50 20 A 1 ATOM 143 O OG . SER A 1 20 ? 1.139 4.615 -2.357 1.00 77.51 20 A 1 ATOM 144 N N . LEU A 1 21 ? -1.326 4.499 -6.125 1.00 89.07 21 A 1 ATOM 145 C CA . LEU A 1 21 ? -2.539 4.502 -6.949 1.00 88.79 21 A 1 ATOM 146 C C . LEU A 1 21 ? -2.490 3.429 -8.031 1.00 90.05 21 A 1 ATOM 147 O O . LEU A 1 21 ? -3.521 2.874 -8.411 1.00 87.62 21 A 1 ATOM 148 C CB . LEU A 1 21 ? -2.713 5.879 -7.591 1.00 87.48 21 A 1 ATOM 149 C CG . LEU A 1 21 ? -4.048 6.076 -8.303 1.00 82.72 21 A 1 ATOM 150 C CD1 . LEU A 1 21 ? -5.195 6.100 -7.294 1.00 77.51 21 A 1 ATOM 151 C CD2 . LEU A 1 21 ? -4.024 7.381 -9.090 1.00 75.55 21 A 1 ATOM 152 N N . PHE A 1 22 ? -1.301 3.127 -8.535 1.00 88.37 22 A 1 ATOM 153 C CA . PHE A 1 22 ? -1.110 2.147 -9.606 1.00 87.98 22 A 1 ATOM 154 C C . PHE A 1 22 ? -0.548 0.825 -9.080 1.00 89.22 22 A 1 ATOM 155 O O . PHE A 1 22 ? 0.180 0.118 -9.778 1.00 87.64 22 A 1 ATOM 156 C CB . PHE A 1 22 ? -0.186 2.733 -10.676 1.00 86.86 22 A 1 ATOM 157 C CG . PHE A 1 22 ? -0.570 2.346 -12.074 1.00 83.84 22 A 1 ATOM 158 C CD1 . PHE A 1 22 ? -0.157 1.138 -12.614 1.00 81.21 22 A 1 ATOM 159 C CD2 . PHE A 1 22 ? -1.352 3.195 -12.851 1.00 81.00 22 A 1 ATOM 160 C CE1 . PHE A 1 22 ? -0.513 0.779 -13.907 1.00 79.33 22 A 1 ATOM 161 C CE2 . PHE A 1 22 ? -1.711 2.841 -14.146 1.00 78.96 22 A 1 ATOM 162 C CZ . PHE A 1 22 ? -1.287 1.632 -14.674 1.00 80.76 22 A 1 ATOM 163 N N . CYS A 1 23 ? -0.898 0.507 -7.854 1.00 89.66 23 A 1 ATOM 164 C CA . CYS A 1 23 ? -0.400 -0.713 -7.227 1.00 87.97 23 A 1 ATOM 165 C C . CYS A 1 23 ? -1.425 -1.845 -7.292 1.00 86.18 23 A 1 ATOM 166 O O . CYS A 1 23 ? -2.619 -1.580 -7.519 1.00 80.67 23 A 1 ATOM 167 C CB . CYS A 1 23 ? -0.009 -0.439 -5.773 1.00 82.21 23 A 1 ATOM 168 S SG . CYS A 1 23 ? 0.978 -1.753 -5.023 1.00 77.77 23 A 1 ATOM 169 O OXT . CYS A 1 23 ? -1.054 -3.020 -7.141 1.00 76.61 23 A 1 #