# 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_spkb36252 # _entry.id spkb36252 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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 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 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" "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" "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 VAL 2 1 n HIS 3 1 n SER 4 1 n GLN 5 1 n LEU 6 1 n PRO 7 1 n VAL 8 1 n ALA 9 1 n GLY 10 1 n PRO 11 1 n LEU 12 1 n ARG 13 1 n LEU 14 1 n LEU 15 1 n CYS 16 1 n ALA 17 1 n LEU 18 1 n LEU 19 1 n LEU 20 1 n LEU 21 1 n PRO 22 1 n SER 23 1 n ALA 24 1 n THR 25 1 n MET 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 @ 2025-07-04 12:14:58)" _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 81.18 _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 70.64 1 1 A VAL 2 2 73.08 1 2 A HIS 3 2 63.92 1 3 A SER 4 2 70.53 1 4 A GLN 5 2 61.63 1 5 A LEU 6 2 73.64 1 6 A PRO 7 2 80.58 1 7 A VAL 8 2 82.25 1 8 A ALA 9 2 87.22 1 9 A GLY 10 2 89.51 1 10 A PRO 11 2 90.53 1 11 A LEU 12 2 88.96 1 12 A ARG 13 2 83.05 1 13 A LEU 14 2 88.84 1 14 A LEU 15 2 89.14 1 15 A CYS 16 2 89.99 1 16 A ALA 17 2 92.72 1 17 A LEU 18 2 90.49 1 18 A LEU 19 2 90.84 1 19 A LEU 20 2 89.55 1 20 A LEU 21 2 87.23 1 21 A PRO 22 2 87.83 1 22 A SER 23 2 81.70 1 23 A ALA 24 2 83.64 1 24 A THR 25 2 76.94 1 25 A MET 26 2 66.10 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 VAL . 2 A 2 A 3 1 n HIS . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ARG . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n CYS . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n PRO . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n THR . 25 A 25 A 26 1 n MET . 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 ? -14.583 -13.046 17.933 1.00 75.46 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.412 -12.171 17.710 1.00 78.77 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.622 -11.451 16.391 1.00 79.92 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.704 -12.111 15.365 1.00 74.57 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.107 -12.985 17.683 1.00 72.71 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.712 -13.444 19.094 1.00 66.24 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.172 -14.400 19.102 1.00 62.72 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.928 -14.635 20.875 1.00 54.76 1 A 1 ATOM 9 N N . VAL A 1 2 ? -13.830 -10.135 16.432 1.00 74.73 2 A 1 ATOM 10 C CA . VAL A 1 2 ? -14.047 -9.322 15.228 1.00 76.55 2 A 1 ATOM 11 C C . VAL A 1 2 ? -12.687 -9.167 14.554 1.00 77.42 2 A 1 ATOM 12 O O . VAL A 1 2 ? -11.797 -8.526 15.114 1.00 73.75 2 A 1 ATOM 13 C CB . VAL A 1 2 ? -14.674 -7.965 15.584 1.00 73.95 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? -14.931 -7.122 14.336 1.00 65.14 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? -16.012 -8.156 16.309 1.00 70.01 2 A 1 ATOM 16 N N . HIS A 1 3 ? -12.499 -9.807 13.402 1.00 72.14 3 A 1 ATOM 17 C CA . HIS A 1 3 ? -11.325 -9.567 12.573 1.00 71.39 3 A 1 ATOM 18 C C . HIS A 1 3 ? -11.413 -8.121 12.092 1.00 71.47 3 A 1 ATOM 19 O O . HIS A 1 3 ? -12.170 -7.812 11.174 1.00 67.28 3 A 1 ATOM 20 C CB . HIS A 1 3 ? -11.272 -10.573 11.414 1.00 69.01 3 A 1 ATOM 21 C CG . HIS A 1 3 ? -10.835 -11.946 11.840 1.00 62.91 3 A 1 ATOM 22 N ND1 . HIS A 1 3 ? -11.650 -12.941 12.327 1.00 56.25 3 A 1 ATOM 23 C CD2 . HIS A 1 3 ? -9.567 -12.455 11.825 1.00 56.76 3 A 1 ATOM 24 C CE1 . HIS A 1 3 ? -10.882 -14.019 12.596 1.00 55.23 3 A 1 ATOM 25 N NE2 . HIS A 1 3 ? -9.614 -13.761 12.298 1.00 56.81 3 A 1 ATOM 26 N N . SER A 1 4 ? -10.689 -7.205 12.756 1.00 74.22 4 A 1 ATOM 27 C CA . SER A 1 4 ? -10.515 -5.841 12.274 1.00 73.46 4 A 1 ATOM 28 C C . SER A 1 4 ? -9.947 -5.930 10.866 1.00 73.71 4 A 1 ATOM 29 O O . SER A 1 4 ? -8.800 -6.323 10.681 1.00 68.99 4 A 1 ATOM 30 C CB . SER A 1 4 ? -9.561 -5.055 13.173 1.00 70.54 4 A 1 ATOM 31 O OG . SER A 1 4 ? -10.252 -4.569 14.300 1.00 62.27 4 A 1 ATOM 32 N N . GLN A 1 5 ? -10.772 -5.616 9.858 1.00 69.66 5 A 1 ATOM 33 C CA . GLN A 1 5 ? -10.286 -5.455 8.494 1.00 68.67 5 A 1 ATOM 34 C C . GLN A 1 5 ? -9.214 -4.370 8.534 1.00 69.50 5 A 1 ATOM 35 O O . GLN A 1 5 ? -9.493 -3.220 8.863 1.00 65.99 5 A 1 ATOM 36 C CB . GLN A 1 5 ? -11.419 -5.100 7.532 1.00 64.72 5 A 1 ATOM 37 C CG . GLN A 1 5 ? -12.284 -6.323 7.183 1.00 59.15 5 A 1 ATOM 38 C CD . GLN A 1 5 ? -13.091 -6.126 5.898 1.00 55.08 5 A 1 ATOM 39 O OE1 . GLN A 1 5 ? -13.274 -5.031 5.397 1.00 52.84 5 A 1 ATOM 40 N NE2 . GLN A 1 5 ? -13.596 -7.183 5.306 1.00 49.03 5 A 1 ATOM 41 N N . LEU A 1 6 ? -7.970 -4.755 8.271 1.00 78.69 6 A 1 ATOM 42 C CA . LEU A 1 6 ? -6.863 -3.823 8.120 1.00 79.28 6 A 1 ATOM 43 C C . LEU A 1 6 ? -7.294 -2.742 7.130 1.00 81.98 6 A 1 ATOM 44 O O . LEU A 1 6 ? -7.844 -3.074 6.077 1.00 78.26 6 A 1 ATOM 45 C CB . LEU A 1 6 ? -5.631 -4.588 7.615 1.00 75.86 6 A 1 ATOM 46 C CG . LEU A 1 6 ? -4.878 -5.306 8.740 1.00 67.72 6 A 1 ATOM 47 C CD1 . LEU A 1 6 ? -4.136 -6.526 8.206 1.00 64.43 6 A 1 ATOM 48 C CD2 . LEU A 1 6 ? -3.858 -4.370 9.390 1.00 62.93 6 A 1 ATOM 49 N N . PRO A 1 7 ? -7.102 -1.452 7.454 1.00 82.10 7 A 1 ATOM 50 C CA . PRO A 1 7 ? -7.494 -0.370 6.566 1.00 83.33 7 A 1 ATOM 51 C C . PRO A 1 7 ? -6.731 -0.513 5.246 1.00 86.06 7 A 1 ATOM 52 O O . PRO A 1 7 ? -5.540 -0.223 5.161 1.00 82.01 7 A 1 ATOM 53 C CB . PRO A 1 7 ? -7.174 0.922 7.332 1.00 78.87 7 A 1 ATOM 54 C CG . PRO A 1 7 ? -6.122 0.504 8.355 1.00 74.86 7 A 1 ATOM 55 C CD . PRO A 1 7 ? -6.473 -0.950 8.651 1.00 76.83 7 A 1 ATOM 56 N N . VAL A 1 8 ? -7.438 -0.962 4.194 1.00 84.51 8 A 1 ATOM 57 C CA . VAL A 1 8 ? -6.896 -1.228 2.852 1.00 85.83 8 A 1 ATOM 58 C C . VAL A 1 8 ? -6.281 0.040 2.239 1.00 87.82 8 A 1 ATOM 59 O O . VAL A 1 8 ? -5.403 -0.022 1.380 1.00 85.76 8 A 1 ATOM 60 C CB . VAL A 1 8 ? -8.020 -1.798 1.963 1.00 82.67 8 A 1 ATOM 61 C CG1 . VAL A 1 8 ? -7.536 -2.174 0.568 1.00 73.33 8 A 1 ATOM 62 C CG2 . VAL A 1 8 ? -8.651 -3.051 2.574 1.00 75.86 8 A 1 ATOM 63 N N . ALA A 1 9 ? -6.674 1.219 2.734 1.00 87.34 9 A 1 ATOM 64 C CA . ALA A 1 9 ? -6.163 2.512 2.284 1.00 87.84 9 A 1 ATOM 65 C C . ALA A 1 9 ? -4.659 2.722 2.545 1.00 89.83 9 A 1 ATOM 66 O O . ALA A 1 9 ? -4.008 3.438 1.786 1.00 86.18 9 A 1 ATOM 67 C CB . ALA A 1 9 ? -6.993 3.600 2.974 1.00 84.91 9 A 1 ATOM 68 N N . GLY A 1 10 ? -4.097 2.119 3.606 1.00 88.69 10 A 1 ATOM 69 C CA . GLY A 1 10 ? -2.663 2.230 3.914 1.00 88.53 10 A 1 ATOM 70 C C . GLY A 1 10 ? -1.777 1.546 2.861 1.00 91.18 10 A 1 ATOM 71 O O . GLY A 1 10 ? -0.977 2.228 2.217 1.00 89.65 10 A 1 ATOM 72 N N . PRO A 1 11 ? -1.950 0.235 2.624 1.00 90.97 11 A 1 ATOM 73 C CA . PRO A 1 11 ? -1.208 -0.513 1.613 1.00 91.74 11 A 1 ATOM 74 C C . PRO A 1 11 ? -1.370 0.052 0.200 1.00 92.86 11 A 1 ATOM 75 O O . PRO A 1 11 ? -0.389 0.144 -0.530 1.00 90.97 11 A 1 ATOM 76 C CB . PRO A 1 11 ? -1.744 -1.946 1.691 1.00 89.75 11 A 1 ATOM 77 C CG . PRO A 1 11 ? -2.277 -2.068 3.107 1.00 87.14 11 A 1 ATOM 78 C CD . PRO A 1 11 ? -2.752 -0.661 3.438 1.00 90.28 11 A 1 ATOM 79 N N . LEU A 1 12 ? -2.570 0.491 -0.181 1.00 92.40 12 A 1 ATOM 80 C CA . LEU A 1 12 ? -2.815 1.086 -1.497 1.00 92.64 12 A 1 ATOM 81 C C . LEU A 1 12 ? -2.035 2.384 -1.709 1.00 93.66 12 A 1 ATOM 82 O O . LEU A 1 12 ? -1.453 2.577 -2.773 1.00 92.59 12 A 1 ATOM 83 C CB . LEU A 1 12 ? -4.316 1.336 -1.682 1.00 91.78 12 A 1 ATOM 84 C CG . LEU A 1 12 ? -5.106 0.079 -2.068 1.00 85.65 12 A 1 ATOM 85 C CD1 . LEU A 1 12 ? -6.598 0.371 -1.966 1.00 81.76 12 A 1 ATOM 86 C CD2 . LEU A 1 12 ? -4.798 -0.365 -3.497 1.00 81.17 12 A 1 ATOM 87 N N . ARG A 1 13 ? -1.965 3.270 -0.700 1.00 92.11 13 A 1 ATOM 88 C CA . ARG A 1 13 ? -1.165 4.503 -0.787 1.00 92.38 13 A 1 ATOM 89 C C . ARG A 1 13 ? 0.322 4.204 -0.926 1.00 93.41 13 A 1 ATOM 90 O O . ARG A 1 13 ? 0.994 4.866 -1.713 1.00 92.28 13 A 1 ATOM 91 C CB . ARG A 1 13 ? -1.398 5.388 0.438 1.00 91.06 13 A 1 ATOM 92 C CG . ARG A 1 13 ? -2.727 6.139 0.343 1.00 83.51 13 A 1 ATOM 93 C CD . ARG A 1 13 ? -2.910 6.997 1.589 1.00 82.00 13 A 1 ATOM 94 N NE . ARG A 1 13 ? -4.158 7.775 1.521 1.00 76.74 13 A 1 ATOM 95 C CZ . ARG A 1 13 ? -4.563 8.657 2.426 1.00 73.67 13 A 1 ATOM 96 N NH1 . ARG A 1 13 ? -3.863 8.909 3.505 1.00 67.28 13 A 1 ATOM 97 N NH2 . ARG A 1 13 ? -5.687 9.298 2.254 1.00 69.13 13 A 1 ATOM 98 N N . LEU A 1 14 ? 0.830 3.196 -0.208 1.00 92.50 14 A 1 ATOM 99 C CA . LEU A 1 14 ? 2.221 2.769 -0.322 1.00 92.56 14 A 1 ATOM 100 C C . LEU A 1 14 ? 2.517 2.226 -1.723 1.00 93.51 14 A 1 ATOM 101 O O . LEU A 1 14 ? 3.527 2.589 -2.319 1.00 92.56 14 A 1 ATOM 102 C CB . LEU A 1 14 ? 2.503 1.714 0.755 1.00 92.22 14 A 1 ATOM 103 C CG . LEU A 1 14 ? 3.996 1.389 0.894 1.00 83.93 14 A 1 ATOM 104 C CD1 . LEU A 1 14 ? 4.742 2.498 1.634 1.00 81.49 14 A 1 ATOM 105 C CD2 . LEU A 1 14 ? 4.171 0.084 1.669 1.00 81.95 14 A 1 ATOM 106 N N . LEU A 1 15 ? 1.616 1.402 -2.281 1.00 92.98 15 A 1 ATOM 107 C CA . LEU A 1 15 ? 1.741 0.848 -3.626 1.00 92.37 15 A 1 ATOM 108 C C . LEU A 1 15 ? 1.742 1.953 -4.687 1.00 93.11 15 A 1 ATOM 109 O O . LEU A 1 15 ? 2.597 1.954 -5.570 1.00 92.45 15 A 1 ATOM 110 C CB . LEU A 1 15 ? 0.601 -0.156 -3.863 1.00 92.04 15 A 1 ATOM 111 C CG . LEU A 1 15 ? 1.039 -1.352 -4.723 1.00 85.09 15 A 1 ATOM 112 C CD1 . LEU A 1 15 ? 1.061 -2.629 -3.880 1.00 82.24 15 A 1 ATOM 113 C CD2 . LEU A 1 15 ? 0.081 -1.565 -5.893 1.00 82.83 15 A 1 ATOM 114 N N . CYS A 1 16 ? 0.839 2.931 -4.587 1.00 92.14 16 A 1 ATOM 115 C CA . CYS A 1 16 ? 0.812 4.088 -5.482 1.00 91.42 16 A 1 ATOM 116 C C . CYS A 1 16 ? 2.106 4.906 -5.399 1.00 91.59 16 A 1 ATOM 117 O O . CYS A 1 16 ? 2.654 5.274 -6.431 1.00 90.25 16 A 1 ATOM 118 C CB . CYS A 1 16 ? -0.392 4.976 -5.149 1.00 90.18 16 A 1 ATOM 119 S SG . CYS A 1 16 ? -1.939 4.197 -5.681 1.00 84.38 16 A 1 ATOM 120 N N . ALA A 1 17 ? 2.630 5.159 -4.202 1.00 93.35 17 A 1 ATOM 121 C CA . ALA A 1 17 ? 3.891 5.883 -4.034 1.00 92.90 17 A 1 ATOM 122 C C . ALA A 1 17 ? 5.078 5.132 -4.661 1.00 93.76 17 A 1 ATOM 123 O O . ALA A 1 17 ? 5.893 5.743 -5.350 1.00 91.69 17 A 1 ATOM 124 C CB . ALA A 1 17 ? 4.113 6.140 -2.540 1.00 91.91 17 A 1 ATOM 125 N N . LEU A 1 18 ? 5.141 3.797 -4.492 1.00 93.59 18 A 1 ATOM 126 C CA . LEU A 1 18 ? 6.179 2.951 -5.081 1.00 93.03 18 A 1 ATOM 127 C C . LEU A 1 18 ? 6.087 2.867 -6.607 1.00 93.46 18 A 1 ATOM 128 O O . LEU A 1 18 ? 7.116 2.711 -7.259 1.00 91.74 18 A 1 ATOM 129 C CB . LEU A 1 18 ? 6.082 1.543 -4.475 1.00 92.31 18 A 1 ATOM 130 C CG . LEU A 1 18 ? 6.568 1.447 -3.017 1.00 88.60 18 A 1 ATOM 131 C CD1 . LEU A 1 18 ? 6.190 0.082 -2.448 1.00 85.82 18 A 1 ATOM 132 C CD2 . LEU A 1 18 ? 8.081 1.619 -2.910 1.00 85.39 18 A 1 ATOM 133 N N . LEU A 1 19 ? 4.888 2.971 -7.195 1.00 94.04 19 A 1 ATOM 134 C CA . LEU A 1 19 ? 4.700 2.975 -8.646 1.00 93.36 19 A 1 ATOM 135 C C . LEU A 1 19 ? 5.012 4.339 -9.270 1.00 93.81 19 A 1 ATOM 136 O O . LEU A 1 19 ? 5.554 4.400 -10.373 1.00 91.82 19 A 1 ATOM 137 C CB . LEU A 1 19 ? 3.260 2.547 -8.967 1.00 92.51 19 A 1 ATOM 138 C CG . LEU A 1 19 ? 2.993 1.045 -8.746 1.00 89.61 19 A 1 ATOM 139 C CD1 . LEU A 1 19 ? 1.492 0.777 -8.840 1.00 85.91 19 A 1 ATOM 140 C CD2 . LEU A 1 19 ? 3.705 0.179 -9.785 1.00 85.70 19 A 1 ATOM 141 N N . LEU A 1 20 ? 4.706 5.438 -8.572 1.00 93.95 20 A 1 ATOM 142 C CA . LEU A 1 20 ? 4.957 6.791 -9.071 1.00 92.90 20 A 1 ATOM 143 C C . LEU A 1 20 ? 6.444 7.154 -9.046 1.00 93.41 20 A 1 ATOM 144 O O . LEU A 1 20 ? 6.917 7.838 -9.956 1.00 91.21 20 A 1 ATOM 145 C CB . LEU A 1 20 ? 4.138 7.788 -8.242 1.00 91.40 20 A 1 ATOM 146 C CG . LEU A 1 20 ? 2.632 7.761 -8.559 1.00 87.39 20 A 1 ATOM 147 C CD1 . LEU A 1 20 ? 1.869 8.547 -7.492 1.00 83.21 20 A 1 ATOM 148 C CD2 . LEU A 1 20 ? 2.324 8.376 -9.922 1.00 82.94 20 A 1 ATOM 149 N N . LEU A 1 21 ? 7.200 6.668 -8.049 1.00 92.92 21 A 1 ATOM 150 C CA . LEU A 1 21 ? 8.628 6.963 -7.914 1.00 92.32 21 A 1 ATOM 151 C C . LEU A 1 21 ? 9.464 6.485 -9.119 1.00 93.06 21 A 1 ATOM 152 O O . LEU A 1 21 ? 10.194 7.302 -9.689 1.00 91.53 21 A 1 ATOM 153 C CB . LEU A 1 21 ? 9.122 6.390 -6.573 1.00 90.35 21 A 1 ATOM 154 C CG . LEU A 1 21 ? 10.420 7.048 -6.081 1.00 82.99 21 A 1 ATOM 155 C CD1 . LEU A 1 21 ? 10.128 8.399 -5.423 1.00 77.79 21 A 1 ATOM 156 C CD2 . LEU A 1 21 ? 11.088 6.145 -5.044 1.00 76.88 21 A 1 ATOM 157 N N . PRO A 1 22 ? 9.380 5.201 -9.571 1.00 90.33 22 A 1 ATOM 158 C CA . PRO A 1 22 ? 10.148 4.720 -10.723 1.00 89.53 22 A 1 ATOM 159 C C . PRO A 1 22 ? 9.578 5.199 -12.058 1.00 90.13 22 A 1 ATOM 160 O O . PRO A 1 22 ? 10.343 5.376 -13.006 1.00 86.95 22 A 1 ATOM 161 C CB . PRO A 1 22 ? 10.125 3.194 -10.613 1.00 86.52 22 A 1 ATOM 162 C CG . PRO A 1 22 ? 8.823 2.910 -9.890 1.00 84.04 22 A 1 ATOM 163 C CD . PRO A 1 22 ? 8.684 4.108 -8.947 1.00 87.31 22 A 1 ATOM 164 N N . SER A 1 23 ? 8.276 5.462 -12.162 1.00 86.16 23 A 1 ATOM 165 C CA . SER A 1 23 ? 7.659 5.967 -13.399 1.00 85.49 23 A 1 ATOM 166 C C . SER A 1 23 ? 8.134 7.373 -13.767 1.00 83.51 23 A 1 ATOM 167 O O . SER A 1 23 ? 8.104 7.739 -14.938 1.00 79.96 23 A 1 ATOM 168 C CB . SER A 1 23 ? 6.135 5.982 -13.291 1.00 83.00 23 A 1 ATOM 169 O OG . SER A 1 23 ? 5.634 4.673 -13.109 1.00 72.10 23 A 1 ATOM 170 N N . ALA A 1 24 ? 8.598 8.164 -12.799 1.00 87.09 24 A 1 ATOM 171 C CA . ALA A 1 24 ? 9.191 9.480 -13.046 1.00 84.19 24 A 1 ATOM 172 C C . ALA A 1 24 ? 10.664 9.412 -13.496 1.00 83.91 24 A 1 ATOM 173 O O . ALA A 1 24 ? 11.236 10.441 -13.859 1.00 81.27 24 A 1 ATOM 174 C CB . ALA A 1 24 ? 9.028 10.319 -11.775 1.00 81.74 24 A 1 ATOM 175 N N . THR A 1 25 ? 11.288 8.229 -13.451 1.00 85.58 25 A 1 ATOM 176 C CA . THR A 1 25 ? 12.723 8.029 -13.744 1.00 81.99 25 A 1 ATOM 177 C C . THR A 1 25 ? 12.963 7.320 -15.082 1.00 79.07 25 A 1 ATOM 178 O O . THR A 1 25 ? 14.112 7.197 -15.501 1.00 74.54 25 A 1 ATOM 179 C CB . THR A 1 25 ? 13.415 7.267 -12.600 1.00 78.81 25 A 1 ATOM 180 O OG1 . THR A 1 25 ? 12.888 7.617 -11.336 1.00 69.91 25 A 1 ATOM 181 C CG2 . THR A 1 25 ? 14.908 7.567 -12.509 1.00 68.69 25 A 1 ATOM 182 N N . MET A 1 26 ? 11.917 6.842 -15.741 1.00 77.40 26 A 1 ATOM 183 C CA . MET A 1 26 ? 11.961 6.234 -17.076 1.00 74.71 26 A 1 ATOM 184 C C . MET A 1 26 ? 11.485 7.228 -18.143 1.00 72.74 26 A 1 ATOM 185 O O . MET A 1 26 ? 10.469 7.903 -17.908 1.00 68.46 26 A 1 ATOM 186 C CB . MET A 1 26 ? 11.126 4.948 -17.108 1.00 67.52 26 A 1 ATOM 187 C CG . MET A 1 26 ? 11.836 3.762 -16.432 1.00 62.74 26 A 1 ATOM 188 S SD . MET A 1 26 ? 13.018 2.905 -17.492 1.00 59.14 26 A 1 ATOM 189 C CE . MET A 1 26 ? 13.251 1.384 -16.536 1.00 52.47 26 A 1 ATOM 190 O OXT . MET A 1 26 ? 12.140 7.283 -19.211 1.00 59.68 26 A 1 #