# 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_spkb28896 # _entry.id spkb28896 # 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" "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" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([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 ALA 1 1 n SER 2 1 n LEU 3 1 n LYS 4 1 n LYS 5 1 n SER 6 1 n LEU 7 1 n PHE 8 1 n LEU 9 1 n VAL 10 1 n LEU 11 1 n PHE 12 1 n LEU 13 1 n GLY 14 1 n LEU 15 1 n VAL 16 1 n SER 17 1 n LEU 18 1 n SER 19 1 n ILE 20 1 n CYS 21 # _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 @ 2025-07-12 10:28:29)" _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 93.36 _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 ALA 1 2 86.44 1 1 A SER 2 2 90.96 1 2 A LEU 3 2 91.23 1 3 A LYS 4 2 88.34 1 4 A LYS 5 2 90.68 1 5 A SER 6 2 95.76 1 6 A LEU 7 2 93.77 1 7 A PHE 8 2 94.73 1 8 A LEU 9 2 94.56 1 9 A VAL 10 2 97.48 1 10 A LEU 11 2 94.97 1 11 A PHE 12 2 94.64 1 12 A LEU 13 2 95.64 1 13 A GLY 14 2 98.27 1 14 A LEU 15 2 95.45 1 15 A VAL 16 2 96.86 1 16 A SER 17 2 96.77 1 17 A LEU 18 2 94.11 1 18 A SER 19 2 93.78 1 19 A ILE 20 2 90.42 1 20 A CYS 21 2 86.59 1 21 # _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 ALA . 1 A 1 A 2 1 n SER . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n CYS . 21 A 21 # _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 . ALA A 1 1 ? -6.196 16.458 11.403 1.00 84.50 1 A 1 ATOM 2 C CA . ALA A 1 1 ? -5.978 15.628 10.212 1.00 88.73 1 A 1 ATOM 3 C C . ALA A 1 1 ? -5.904 14.149 10.578 1.00 90.40 1 A 1 ATOM 4 O O . ALA A 1 1 ? -5.880 13.792 11.757 1.00 85.94 1 A 1 ATOM 5 C CB . ALA A 1 1 ? -4.690 16.039 9.524 1.00 82.64 1 A 1 ATOM 6 N N . SER A 1 2 ? -5.852 13.292 9.571 1.00 90.86 2 A 1 ATOM 7 C CA . SER A 1 2 ? -5.792 11.853 9.791 1.00 94.42 2 A 1 ATOM 8 C C . SER A 1 2 ? -4.427 11.297 9.387 1.00 95.76 2 A 1 ATOM 9 O O . SER A 1 2 ? -3.944 11.573 8.289 1.00 93.48 2 A 1 ATOM 10 C CB . SER A 1 2 ? -6.891 11.156 9.005 1.00 91.09 2 A 1 ATOM 11 O OG . SER A 1 2 ? -6.944 9.778 9.319 1.00 80.18 2 A 1 ATOM 12 N N . LEU A 1 3 ? -3.826 10.514 10.276 1.00 95.98 3 A 1 ATOM 13 C CA . LEU A 1 3 ? -2.522 9.913 9.998 1.00 96.61 3 A 1 ATOM 14 C C . LEU A 1 3 ? -2.679 8.526 9.388 1.00 97.18 3 A 1 ATOM 15 O O . LEU A 1 3 ? -1.811 8.054 8.656 1.00 96.20 3 A 1 ATOM 16 C CB . LEU A 1 3 ? -1.705 9.822 11.295 1.00 95.56 3 A 1 ATOM 17 C CG . LEU A 1 3 ? -0.473 10.721 11.335 1.00 86.16 3 A 1 ATOM 18 C CD1 . LEU A 1 3 ? 0.513 10.311 10.263 1.00 81.48 3 A 1 ATOM 19 C CD2 . LEU A 1 3 ? -0.883 12.171 11.163 1.00 80.71 3 A 1 ATOM 20 N N . LYS A 1 4 ? -3.797 7.884 9.712 1.00 96.38 4 A 1 ATOM 21 C CA . LYS A 1 4 ? -4.071 6.541 9.209 1.00 96.65 4 A 1 ATOM 22 C C . LYS A 1 4 ? -4.156 6.519 7.687 1.00 96.80 4 A 1 ATOM 23 O O . LYS A 1 4 ? -3.643 5.605 7.043 1.00 96.32 4 A 1 ATOM 24 C CB . LYS A 1 4 ? -5.376 6.008 9.811 1.00 95.19 4 A 1 ATOM 25 C CG . LYS A 1 4 ? -5.382 5.945 11.326 1.00 86.48 4 A 1 ATOM 26 C CD . LYS A 1 4 ? -4.406 4.913 11.867 1.00 83.87 4 A 1 ATOM 27 C CE . LYS A 1 4 ? -3.088 5.556 12.252 1.00 75.35 4 A 1 ATOM 28 N NZ . LYS A 1 4 ? -2.131 4.547 12.772 1.00 67.99 4 A 1 ATOM 29 N N . LYS A 1 5 ? -4.806 7.521 7.131 1.00 97.37 5 A 1 ATOM 30 C CA . LYS A 1 5 ? -4.971 7.593 5.677 1.00 97.43 5 A 1 ATOM 31 C C . LYS A 1 5 ? -3.624 7.748 4.975 1.00 97.65 5 A 1 ATOM 32 O O . LYS A 1 5 ? -3.304 6.990 4.061 1.00 97.11 5 A 1 ATOM 33 C CB . LYS A 1 5 ? -5.893 8.753 5.305 1.00 96.64 5 A 1 ATOM 34 C CG . LYS A 1 5 ? -7.339 8.510 5.679 1.00 90.56 5 A 1 ATOM 35 C CD . LYS A 1 5 ? -8.252 9.586 5.101 1.00 86.31 5 A 1 ATOM 36 C CE . LYS A 1 5 ? -8.460 9.403 3.616 1.00 80.35 5 A 1 ATOM 37 N NZ . LYS A 1 5 ? -9.388 10.429 3.063 1.00 72.74 5 A 1 ATOM 38 N N . SER A 1 6 ? -2.851 8.719 5.398 1.00 97.93 6 A 1 ATOM 39 C CA . SER A 1 6 ? -1.540 8.961 4.798 1.00 97.95 6 A 1 ATOM 40 C C . SER A 1 6 ? -0.588 7.800 5.074 1.00 98.23 6 A 1 ATOM 41 O O . SER A 1 6 ? 0.201 7.417 4.214 1.00 97.59 6 A 1 ATOM 42 C CB . SER A 1 6 ? -0.948 10.261 5.340 1.00 97.37 6 A 1 ATOM 43 O OG . SER A 1 6 ? -0.921 10.251 6.745 1.00 85.48 6 A 1 ATOM 44 N N . LEU A 1 7 ? -0.677 7.251 6.273 1.00 97.46 7 A 1 ATOM 45 C CA . LEU A 1 7 ? 0.172 6.125 6.656 1.00 97.77 7 A 1 ATOM 46 C C . LEU A 1 7 ? -0.230 4.857 5.915 1.00 98.09 7 A 1 ATOM 47 O O . LEU A 1 7 ? 0.621 4.098 5.453 1.00 97.79 7 A 1 ATOM 48 C CB . LEU A 1 7 ? 0.068 5.894 8.163 1.00 97.57 7 A 1 ATOM 49 C CG . LEU A 1 7 ? 1.278 5.172 8.741 1.00 90.22 7 A 1 ATOM 50 C CD1 . LEU A 1 7 ? 2.268 6.170 9.317 1.00 84.56 7 A 1 ATOM 51 C CD2 . LEU A 1 7 ? 0.846 4.188 9.819 1.00 86.67 7 A 1 ATOM 52 N N . PHE A 1 8 ? -1.536 4.632 5.812 1.00 97.65 8 A 1 ATOM 53 C CA . PHE A 1 8 ? -2.059 3.444 5.147 1.00 97.70 8 A 1 ATOM 54 C C . PHE A 1 8 ? -1.739 3.466 3.656 1.00 97.91 8 A 1 ATOM 55 O O . PHE A 1 8 ? -1.301 2.467 3.090 1.00 97.55 8 A 1 ATOM 56 C CB . PHE A 1 8 ? -3.572 3.362 5.347 1.00 97.33 8 A 1 ATOM 57 C CG . PHE A 1 8 ? -4.023 2.014 5.852 1.00 94.69 8 A 1 ATOM 58 C CD1 . PHE A 1 8 ? -4.036 0.915 5.015 1.00 91.49 8 A 1 ATOM 59 C CD2 . PHE A 1 8 ? -4.419 1.865 7.173 1.00 92.82 8 A 1 ATOM 60 C CE1 . PHE A 1 8 ? -4.442 -0.326 5.480 1.00 91.33 8 A 1 ATOM 61 C CE2 . PHE A 1 8 ? -4.831 0.627 7.648 1.00 92.16 8 A 1 ATOM 62 C CZ . PHE A 1 8 ? -4.843 -0.471 6.801 1.00 91.39 8 A 1 ATOM 63 N N . LEU A 1 9 ? -1.959 4.603 3.029 1.00 98.09 9 A 1 ATOM 64 C CA . LEU A 1 9 ? -1.696 4.744 1.599 1.00 98.04 9 A 1 ATOM 65 C C . LEU A 1 9 ? -0.222 4.506 1.287 1.00 98.29 9 A 1 ATOM 66 O O . LEU A 1 9 ? 0.112 3.773 0.360 1.00 98.11 9 A 1 ATOM 67 C CB . LEU A 1 9 ? -2.106 6.143 1.135 1.00 97.78 9 A 1 ATOM 68 C CG . LEU A 1 9 ? -3.615 6.374 1.087 1.00 90.74 9 A 1 ATOM 69 C CD1 . LEU A 1 9 ? -3.916 7.854 0.905 1.00 86.71 9 A 1 ATOM 70 C CD2 . LEU A 1 9 ? -4.237 5.570 -0.046 1.00 88.72 9 A 1 ATOM 71 N N . VAL A 1 10 ? 0.641 5.122 2.057 1.00 98.39 10 A 1 ATOM 72 C CA . VAL A 1 10 ? 2.081 4.969 1.858 1.00 98.31 10 A 1 ATOM 73 C C . VAL A 1 10 ? 2.510 3.529 2.115 1.00 98.39 10 A 1 ATOM 74 O O . VAL A 1 10 ? 3.321 2.970 1.373 1.00 98.05 10 A 1 ATOM 75 C CB . VAL A 1 10 ? 2.861 5.919 2.782 1.00 97.92 10 A 1 ATOM 76 C CG1 . VAL A 1 10 ? 4.357 5.688 2.659 1.00 95.79 10 A 1 ATOM 77 C CG2 . VAL A 1 10 ? 2.529 7.367 2.451 1.00 95.51 10 A 1 ATOM 78 N N . LEU A 1 11 ? 1.956 2.944 3.165 1.00 98.17 11 A 1 ATOM 79 C CA . LEU A 1 11 ? 2.279 1.564 3.522 1.00 98.19 11 A 1 ATOM 80 C C . LEU A 1 11 ? 1.825 0.617 2.421 1.00 98.37 11 A 1 ATOM 81 O O . LEU A 1 11 ? 2.552 -0.295 2.027 1.00 98.28 11 A 1 ATOM 82 C CB . LEU A 1 11 ? 1.591 1.195 4.844 1.00 98.04 11 A 1 ATOM 83 C CG . LEU A 1 11 ? 2.361 0.205 5.719 1.00 91.69 11 A 1 ATOM 84 C CD1 . LEU A 1 11 ? 2.634 -1.085 4.971 1.00 87.54 11 A 1 ATOM 85 C CD2 . LEU A 1 11 ? 3.653 0.839 6.196 1.00 89.51 11 A 1 ATOM 86 N N . PHE A 1 12 ? 0.616 0.841 1.933 1.00 97.63 12 A 1 ATOM 87 C CA . PHE A 1 12 ? 0.052 0.013 0.870 1.00 97.64 12 A 1 ATOM 88 C C . PHE A 1 12 ? 0.909 0.103 -0.386 1.00 97.83 12 A 1 ATOM 89 O O . PHE A 1 12 ? 1.209 -0.911 -1.015 1.00 97.40 12 A 1 ATOM 90 C CB . PHE A 1 12 ? -1.375 0.470 0.561 1.00 97.29 12 A 1 ATOM 91 C CG . PHE A 1 12 ? -2.092 -0.446 -0.399 1.00 94.47 12 A 1 ATOM 92 C CD1 . PHE A 1 12 ? -2.504 -1.706 0.002 1.00 91.69 12 A 1 ATOM 93 C CD2 . PHE A 1 12 ? -2.340 -0.037 -1.699 1.00 92.76 12 A 1 ATOM 94 C CE1 . PHE A 1 12 ? -3.162 -2.550 -0.883 1.00 91.09 12 A 1 ATOM 95 C CE2 . PHE A 1 12 ? -2.998 -0.883 -2.590 1.00 91.73 12 A 1 ATOM 96 C CZ . PHE A 1 12 ? -3.407 -2.138 -2.179 1.00 91.47 12 A 1 ATOM 97 N N . LEU A 1 13 ? 1.288 1.300 -0.748 1.00 98.37 13 A 1 ATOM 98 C CA . LEU A 1 13 ? 2.110 1.517 -1.934 1.00 98.28 13 A 1 ATOM 99 C C . LEU A 1 13 ? 3.478 0.870 -1.769 1.00 98.44 13 A 1 ATOM 100 O O . LEU A 1 13 ? 4.073 0.383 -2.729 1.00 98.05 13 A 1 ATOM 101 C CB . LEU A 1 13 ? 2.254 3.025 -2.187 1.00 97.82 13 A 1 ATOM 102 C CG . LEU A 1 13 ? 1.897 3.467 -3.603 1.00 93.79 13 A 1 ATOM 103 C CD1 . LEU A 1 13 ? 2.849 2.839 -4.611 1.00 89.65 13 A 1 ATOM 104 C CD2 . LEU A 1 13 ? 0.463 3.090 -3.917 1.00 90.74 13 A 1 ATOM 105 N N . GLY A 1 14 ? 3.971 0.874 -0.538 1.00 98.36 14 A 1 ATOM 106 C CA . GLY A 1 14 ? 5.267 0.277 -0.242 1.00 98.32 14 A 1 ATOM 107 C C . GLY A 1 14 ? 5.309 -1.206 -0.548 1.00 98.43 14 A 1 ATOM 108 O O . GLY A 1 14 ? 6.174 -1.670 -1.282 1.00 97.98 14 A 1 ATOM 109 N N . LEU A 1 15 ? 4.371 -1.958 0.015 1.00 98.23 15 A 1 ATOM 110 C CA . LEU A 1 15 ? 4.329 -3.400 -0.214 1.00 98.21 15 A 1 ATOM 111 C C . LEU A 1 15 ? 3.920 -3.721 -1.645 1.00 98.32 15 A 1 ATOM 112 O O . LEU A 1 15 ? 4.377 -4.709 -2.220 1.00 97.71 15 A 1 ATOM 113 C CB . LEU A 1 15 ? 3.370 -4.056 0.788 1.00 97.81 15 A 1 ATOM 114 C CG . LEU A 1 15 ? 1.917 -3.615 0.658 1.00 93.78 15 A 1 ATOM 115 C CD1 . LEU A 1 15 ? 1.134 -4.663 -0.125 1.00 89.33 15 A 1 ATOM 116 C CD2 . LEU A 1 15 ? 1.303 -3.426 2.031 1.00 90.19 15 A 1 ATOM 117 N N . VAL A 1 16 ? 3.056 -2.899 -2.224 1.00 98.41 16 A 1 ATOM 118 C CA . VAL A 1 16 ? 2.619 -3.102 -3.605 1.00 98.23 16 A 1 ATOM 119 C C . VAL A 1 16 ? 3.805 -2.958 -4.548 1.00 98.28 16 A 1 ATOM 120 O O . VAL A 1 16 ? 3.952 -3.720 -5.504 1.00 97.64 16 A 1 ATOM 121 C CB . VAL A 1 16 ? 1.512 -2.101 -3.989 1.00 97.53 16 A 1 ATOM 122 C CG1 . VAL A 1 16 ? 1.233 -2.151 -5.482 1.00 93.76 16 A 1 ATOM 123 C CG2 . VAL A 1 16 ? 0.239 -2.405 -3.221 1.00 94.18 16 A 1 ATOM 124 N N . SER A 1 17 ? 4.651 -1.998 -4.272 1.00 98.29 17 A 1 ATOM 125 C CA . SER A 1 17 ? 5.839 -1.762 -5.088 1.00 98.31 17 A 1 ATOM 126 C C . SER A 1 17 ? 6.769 -2.971 -5.034 1.00 98.29 17 A 1 ATOM 127 O O . SER A 1 17 ? 7.389 -3.335 -6.028 1.00 97.47 17 A 1 ATOM 128 C CB . SER A 1 17 ? 6.574 -0.522 -4.594 1.00 97.93 17 A 1 ATOM 129 O OG . SER A 1 17 ? 5.791 0.631 -4.769 1.00 90.35 17 A 1 ATOM 130 N N . LEU A 1 18 ? 6.850 -3.586 -3.879 1.00 98.10 18 A 1 ATOM 131 C CA . LEU A 1 18 ? 7.681 -4.773 -3.700 1.00 97.63 18 A 1 ATOM 132 C C . LEU A 1 18 ? 7.117 -5.947 -4.488 1.00 97.62 18 A 1 ATOM 133 O O . LEU A 1 18 ? 7.870 -6.744 -5.047 1.00 96.42 18 A 1 ATOM 134 C CB . LEU A 1 18 ? 7.745 -5.132 -2.216 1.00 96.88 18 A 1 ATOM 135 C CG . LEU A 1 18 ? 8.795 -6.185 -1.888 1.00 91.96 18 A 1 ATOM 136 C CD1 . LEU A 1 18 ? 10.152 -5.518 -1.688 1.00 87.05 18 A 1 ATOM 137 C CD2 . LEU A 1 18 ? 8.402 -6.953 -0.640 1.00 87.26 18 A 1 ATOM 138 N N . SER A 1 19 ? 5.796 -6.045 -4.525 1.00 96.94 19 A 1 ATOM 139 C CA . SER A 1 19 ? 5.118 -7.117 -5.246 1.00 96.74 19 A 1 ATOM 140 C C . SER A 1 19 ? 5.420 -7.058 -6.739 1.00 96.49 19 A 1 ATOM 141 O O . SER A 1 19 ? 5.731 -8.072 -7.361 1.00 93.87 19 A 1 ATOM 142 C CB . SER A 1 19 ? 3.610 -7.030 -5.024 1.00 95.29 19 A 1 ATOM 143 O OG . SER A 1 19 ? 2.973 -8.171 -5.531 1.00 83.36 19 A 1 ATOM 144 N N . ILE A 1 20 ? 5.321 -5.878 -7.307 1.00 96.31 20 A 1 ATOM 145 C CA . ILE A 1 20 ? 5.609 -5.678 -8.730 1.00 95.23 20 A 1 ATOM 146 C C . ILE A 1 20 ? 7.098 -5.476 -8.963 1.00 94.97 20 A 1 ATOM 147 O O . ILE A 1 20 ? 7.627 -5.842 -10.013 1.00 92.32 20 A 1 ATOM 148 C CB . ILE A 1 20 ? 4.834 -4.467 -9.279 1.00 93.23 20 A 1 ATOM 149 C CG1 . ILE A 1 20 ? 5.088 -3.225 -8.430 1.00 87.30 20 A 1 ATOM 150 C CG2 . ILE A 1 20 ? 3.346 -4.794 -9.344 1.00 84.66 20 A 1 ATOM 151 C CD1 . ILE A 1 20 ? 4.490 -1.965 -9.017 1.00 79.30 20 A 1 ATOM 152 N N . CYS A 1 21 ? 7.765 -4.905 -7.961 1.00 95.14 21 A 1 ATOM 153 C CA . CYS A 1 21 ? 9.206 -4.635 -7.994 1.00 93.47 21 A 1 ATOM 154 C C . CYS A 1 21 ? 9.572 -3.791 -9.218 1.00 92.06 21 A 1 ATOM 155 O O . CYS A 1 21 ? 9.810 -2.587 -9.032 1.00 86.48 21 A 1 ATOM 156 C CB . CYS A 1 21 ? 9.998 -5.947 -8.003 1.00 87.55 21 A 1 ATOM 157 S SG . CYS A 1 21 ? 11.766 -5.679 -7.762 1.00 76.72 21 A 1 ATOM 158 O OXT . CYS A 1 21 ? 9.600 -4.335 -10.329 1.00 74.70 21 A 1 #