# 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_spkb32581 # _entry.id spkb32581 # 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 "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" "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" "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 SER 2 1 n ARG 3 1 n SER 4 1 n LEU 5 1 n VAL 6 1 n PHE 7 1 n PHE 8 1 n PHE 9 1 n LEU 10 1 n PHE 11 1 n LEU 12 1 n VAL 13 1 n LEU 14 1 n VAL 15 1 n VAL 16 1 n PRO 17 1 n CYS 18 1 n LEU 19 1 n SER 20 # _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 @ 2025-07-03 22:53:56)" _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 88.36 _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 MET 1 2 72.23 1 1 A SER 2 2 82.32 1 2 A ARG 3 2 79.93 1 3 A SER 4 2 90.60 1 4 A LEU 5 2 87.69 1 5 A VAL 6 2 92.08 1 6 A PHE 7 2 88.79 1 7 A PHE 8 2 89.32 1 8 A PHE 9 2 86.91 1 9 A LEU 10 2 90.32 1 10 A PHE 11 2 90.27 1 11 A LEU 12 2 90.33 1 12 A VAL 13 2 93.54 1 13 A LEU 14 2 92.35 1 14 A VAL 15 2 93.52 1 15 A VAL 16 2 92.88 1 16 A PRO 17 2 94.14 1 17 A CYS 18 2 92.43 1 18 A LEU 19 2 89.02 1 19 A SER 20 2 83.44 1 20 # _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 SER . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n PRO . 17 A 17 A 18 1 n CYS . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n SER . 20 A 20 # _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 ? -13.930 2.046 7.882 1.00 78.29 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.510 1.904 7.509 1.00 80.64 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.056 3.050 6.617 1.00 81.79 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.849 3.603 5.860 1.00 77.00 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.293 0.591 6.761 1.00 73.90 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.295 -0.597 7.706 1.00 67.33 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.028 -2.147 6.850 1.00 62.68 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.649 -3.203 8.240 1.00 56.24 1 A 1 ATOM 9 N N . SER A 1 2 ? -10.796 3.396 6.705 1.00 83.73 2 A 1 ATOM 10 C CA . SER A 1 2 ? -10.247 4.478 5.894 1.00 87.92 2 A 1 ATOM 11 C C . SER A 1 2 ? -9.883 3.982 4.497 1.00 89.15 2 A 1 ATOM 12 O O . SER A 1 2 ? -9.159 3.001 4.348 1.00 83.68 2 A 1 ATOM 13 C CB . SER A 1 2 ? -9.016 5.057 6.571 1.00 80.97 2 A 1 ATOM 14 O OG . SER A 1 2 ? -9.335 5.579 7.847 1.00 68.48 2 A 1 ATOM 15 N N . ARG A 1 3 ? -10.383 4.680 3.483 1.00 90.53 3 A 1 ATOM 16 C CA . ARG A 1 3 ? -10.099 4.309 2.094 1.00 93.13 3 A 1 ATOM 17 C C . ARG A 1 3 ? -8.614 4.473 1.786 1.00 94.21 3 A 1 ATOM 18 O O . ARG A 1 3 ? -8.035 3.680 1.044 1.00 91.77 3 A 1 ATOM 19 C CB . ARG A 1 3 ? -10.927 5.176 1.146 1.00 89.70 3 A 1 ATOM 20 C CG . ARG A 1 3 ? -12.420 4.916 1.266 1.00 79.18 3 A 1 ATOM 21 C CD . ARG A 1 3 ? -12.809 3.613 0.571 1.00 77.35 3 A 1 ATOM 22 N NE . ARG A 1 3 ? -14.246 3.350 0.663 1.00 72.01 3 A 1 ATOM 23 C CZ . ARG A 1 3 ? -14.867 2.383 0.003 1.00 68.27 3 A 1 ATOM 24 N NH1 . ARG A 1 3 ? -14.191 1.582 -0.801 1.00 62.94 3 A 1 ATOM 25 N NH2 . ARG A 1 3 ? -16.169 2.213 0.146 1.00 60.19 3 A 1 ATOM 26 N N . SER A 1 4 ? -8.009 5.492 2.352 1.00 91.60 4 A 1 ATOM 27 C CA . SER A 1 4 ? -6.588 5.759 2.136 1.00 94.48 4 A 1 ATOM 28 C C . SER A 1 4 ? -5.723 4.605 2.639 1.00 95.02 4 A 1 ATOM 29 O O . SER A 1 4 ? -4.672 4.313 2.074 1.00 91.92 4 A 1 ATOM 30 C CB . SER A 1 4 ? -6.184 7.045 2.847 1.00 91.42 4 A 1 ATOM 31 O OG . SER A 1 4 ? -6.961 8.133 2.393 1.00 79.16 4 A 1 ATOM 32 N N . LEU A 1 5 ? -6.175 3.959 3.695 1.00 92.20 5 A 1 ATOM 33 C CA . LEU A 1 5 ? -5.447 2.835 4.280 1.00 92.80 5 A 1 ATOM 34 C C . LEU A 1 5 ? -5.385 1.665 3.300 1.00 93.82 5 A 1 ATOM 35 O O . LEU A 1 5 ? -4.366 0.986 3.184 1.00 92.38 5 A 1 ATOM 36 C CB . LEU A 1 5 ? -6.126 2.406 5.588 1.00 91.77 5 A 1 ATOM 37 C CG . LEU A 1 5 ? -5.163 1.883 6.653 1.00 82.30 5 A 1 ATOM 38 C CD1 . LEU A 1 5 ? -5.814 1.907 8.023 1.00 77.42 5 A 1 ATOM 39 C CD2 . LEU A 1 5 ? -4.702 0.476 6.329 1.00 78.85 5 A 1 ATOM 40 N N . VAL A 1 6 ? -6.475 1.439 2.597 1.00 94.11 6 A 1 ATOM 41 C CA . VAL A 1 6 ? -6.543 0.356 1.619 1.00 94.33 6 A 1 ATOM 42 C C . VAL A 1 6 ? -5.557 0.582 0.478 1.00 94.92 6 A 1 ATOM 43 O O . VAL A 1 6 ? -4.835 -0.330 0.077 1.00 93.61 6 A 1 ATOM 44 C CB . VAL A 1 6 ? -7.962 0.219 1.050 1.00 92.86 6 A 1 ATOM 45 C CG1 . VAL A 1 6 ? -8.014 -0.918 0.041 1.00 87.57 6 A 1 ATOM 46 C CG2 . VAL A 1 6 ? -8.959 -0.024 2.170 1.00 87.17 6 A 1 ATOM 47 N N . PHE A 1 7 ? -5.539 1.797 -0.037 1.00 92.44 7 A 1 ATOM 48 C CA . PHE A 1 7 ? -4.632 2.134 -1.132 1.00 92.96 7 A 1 ATOM 49 C C . PHE A 1 7 ? -3.179 2.049 -0.683 1.00 93.43 7 A 1 ATOM 50 O O . PHE A 1 7 ? -2.317 1.562 -1.413 1.00 92.06 7 A 1 ATOM 51 C CB . PHE A 1 7 ? -4.929 3.543 -1.639 1.00 92.12 7 A 1 ATOM 52 C CG . PHE A 1 7 ? -6.251 3.635 -2.355 1.00 89.62 7 A 1 ATOM 53 C CD1 . PHE A 1 7 ? -6.449 2.967 -3.556 1.00 85.48 7 A 1 ATOM 54 C CD2 . PHE A 1 7 ? -7.284 4.400 -1.828 1.00 85.87 7 A 1 ATOM 55 C CE1 . PHE A 1 7 ? -7.663 3.051 -4.218 1.00 84.32 7 A 1 ATOM 56 C CE2 . PHE A 1 7 ? -8.502 4.488 -2.490 1.00 84.35 7 A 1 ATOM 57 C CZ . PHE A 1 7 ? -8.690 3.810 -3.683 1.00 84.01 7 A 1 ATOM 58 N N . PHE A 1 8 ? -2.907 2.521 0.517 1.00 92.46 8 A 1 ATOM 59 C CA . PHE A 1 8 ? -1.552 2.495 1.062 1.00 92.71 8 A 1 ATOM 60 C C . PHE A 1 8 ? -1.080 1.060 1.269 1.00 93.45 8 A 1 ATOM 61 O O . PHE A 1 8 ? 0.050 0.713 0.936 1.00 92.38 8 A 1 ATOM 62 C CB . PHE A 1 8 ? -1.517 3.255 2.385 1.00 92.33 8 A 1 ATOM 63 C CG . PHE A 1 8 ? -0.129 3.347 2.968 1.00 90.38 8 A 1 ATOM 64 C CD1 . PHE A 1 8 ? 0.790 4.254 2.461 1.00 86.49 8 A 1 ATOM 65 C CD2 . PHE A 1 8 ? 0.249 2.517 4.012 1.00 87.34 8 A 1 ATOM 66 C CE1 . PHE A 1 8 ? 2.069 4.334 2.985 1.00 84.93 8 A 1 ATOM 67 C CE2 . PHE A 1 8 ? 1.532 2.595 4.541 1.00 84.90 8 A 1 ATOM 68 C CZ . PHE A 1 8 ? 2.440 3.502 4.026 1.00 85.20 8 A 1 ATOM 69 N N . PHE A 1 9 ? -1.947 0.241 1.828 1.00 92.23 9 A 1 ATOM 70 C CA . PHE A 1 9 ? -1.615 -1.157 2.086 1.00 92.42 9 A 1 ATOM 71 C C . PHE A 1 9 ? -1.366 -1.907 0.782 1.00 93.15 9 A 1 ATOM 72 O O . PHE A 1 9 ? -0.403 -2.662 0.660 1.00 91.92 9 A 1 ATOM 73 C CB . PHE A 1 9 ? -2.752 -1.818 2.867 1.00 91.82 9 A 1 ATOM 74 C CG . PHE A 1 9 ? -2.344 -3.135 3.476 1.00 87.13 9 A 1 ATOM 75 C CD1 . PHE A 1 9 ? -1.558 -3.172 4.619 1.00 82.95 9 A 1 ATOM 76 C CD2 . PHE A 1 9 ? -2.750 -4.332 2.899 1.00 83.54 9 A 1 ATOM 77 C CE1 . PHE A 1 9 ? -1.174 -4.385 5.177 1.00 80.67 9 A 1 ATOM 78 C CE2 . PHE A 1 9 ? -2.364 -5.553 3.455 1.00 80.30 9 A 1 ATOM 79 C CZ . PHE A 1 9 ? -1.577 -5.576 4.593 1.00 79.88 9 A 1 ATOM 80 N N . LEU A 1 10 ? -2.235 -1.697 -0.176 1.00 93.85 10 A 1 ATOM 81 C CA . LEU A 1 10 ? -2.099 -2.344 -1.482 1.00 93.95 10 A 1 ATOM 82 C C . LEU A 1 10 ? -0.805 -1.917 -2.167 1.00 94.82 10 A 1 ATOM 83 O O . LEU A 1 10 ? -0.097 -2.736 -2.750 1.00 94.10 10 A 1 ATOM 84 C CB . LEU A 1 10 ? -3.293 -1.984 -2.364 1.00 93.36 10 A 1 ATOM 85 C CG . LEU A 1 10 ? -3.447 -2.899 -3.576 1.00 85.30 10 A 1 ATOM 86 C CD1 . LEU A 1 10 ? -3.994 -4.259 -3.151 1.00 82.67 10 A 1 ATOM 87 C CD2 . LEU A 1 10 ? -4.377 -2.268 -4.599 1.00 84.50 10 A 1 ATOM 88 N N . PHE A 1 11 ? -0.507 -0.644 -2.102 1.00 94.01 11 A 1 ATOM 89 C CA . PHE A 1 11 ? 0.702 -0.095 -2.707 1.00 93.96 11 A 1 ATOM 90 C C . PHE A 1 11 ? 1.948 -0.661 -2.037 1.00 94.36 11 A 1 ATOM 91 O O . PHE A 1 11 ? 2.925 -0.995 -2.705 1.00 93.00 11 A 1 ATOM 92 C CB . PHE A 1 11 ? 0.684 1.425 -2.577 1.00 93.27 11 A 1 ATOM 93 C CG . PHE A 1 11 ? 1.838 2.077 -3.286 1.00 90.64 11 A 1 ATOM 94 C CD1 . PHE A 1 11 ? 1.841 2.197 -4.665 1.00 87.20 11 A 1 ATOM 95 C CD2 . PHE A 1 11 ? 2.913 2.562 -2.564 1.00 87.82 11 A 1 ATOM 96 C CE1 . PHE A 1 11 ? 2.903 2.792 -5.319 1.00 85.97 11 A 1 ATOM 97 C CE2 . PHE A 1 11 ? 3.983 3.159 -3.218 1.00 86.34 11 A 1 ATOM 98 C CZ . PHE A 1 11 ? 3.977 3.273 -4.594 1.00 86.42 11 A 1 ATOM 99 N N . LEU A 1 12 ? 1.910 -0.768 -0.728 1.00 93.98 12 A 1 ATOM 100 C CA . LEU A 1 12 ? 3.040 -1.288 0.038 1.00 93.91 12 A 1 ATOM 101 C C . LEU A 1 12 ? 3.324 -2.743 -0.323 1.00 94.49 12 A 1 ATOM 102 O O . LEU A 1 12 ? 4.474 -3.128 -0.533 1.00 93.45 12 A 1 ATOM 103 C CB . LEU A 1 12 ? 2.740 -1.166 1.531 1.00 93.12 12 A 1 ATOM 104 C CG . LEU A 1 12 ? 3.963 -1.344 2.421 1.00 85.94 12 A 1 ATOM 105 C CD1 . LEU A 1 12 ? 4.847 -0.100 2.354 1.00 83.09 12 A 1 ATOM 106 C CD2 . LEU A 1 12 ? 3.536 -1.602 3.858 1.00 84.63 12 A 1 ATOM 107 N N . VAL A 1 13 ? 2.287 -3.538 -0.400 1.00 95.66 13 A 1 ATOM 108 C CA . VAL A 1 13 ? 2.427 -4.956 -0.722 1.00 95.49 13 A 1 ATOM 109 C C . VAL A 1 13 ? 2.893 -5.161 -2.162 1.00 95.82 13 A 1 ATOM 110 O O . VAL A 1 13 ? 3.484 -6.188 -2.497 1.00 94.01 13 A 1 ATOM 111 C CB . VAL A 1 13 ? 1.093 -5.693 -0.499 1.00 94.13 13 A 1 ATOM 112 C CG1 . VAL A 1 13 ? 1.212 -7.162 -0.868 1.00 90.08 13 A 1 ATOM 113 C CG2 . VAL A 1 13 ? 0.657 -5.557 0.951 1.00 89.57 13 A 1 ATOM 114 N N . LEU A 1 14 ? 2.625 -4.196 -3.000 1.00 95.22 14 A 1 ATOM 115 C CA . LEU A 1 14 ? 3.007 -4.280 -4.407 1.00 95.23 14 A 1 ATOM 116 C C . LEU A 1 14 ? 4.442 -3.807 -4.627 1.00 95.72 14 A 1 ATOM 117 O O . LEU A 1 14 ? 5.166 -4.362 -5.452 1.00 94.14 14 A 1 ATOM 118 C CB . LEU A 1 14 ? 2.044 -3.439 -5.248 1.00 94.48 14 A 1 ATOM 119 C CG . LEU A 1 14 ? 2.187 -3.645 -6.751 1.00 90.41 14 A 1 ATOM 120 C CD1 . LEU A 1 14 ? 1.627 -5.004 -7.157 1.00 86.41 14 A 1 ATOM 121 C CD2 . LEU A 1 14 ? 1.469 -2.540 -7.504 1.00 87.17 14 A 1 ATOM 122 N N . VAL A 1 15 ? 4.839 -2.797 -3.897 1.00 96.08 15 A 1 ATOM 123 C CA . VAL A 1 15 ? 6.172 -2.221 -4.043 1.00 95.75 15 A 1 ATOM 124 C C . VAL A 1 15 ? 7.245 -3.050 -3.341 1.00 95.82 15 A 1 ATOM 125 O O . VAL A 1 15 ? 8.355 -3.200 -3.852 1.00 93.71 15 A 1 ATOM 126 C CB . VAL A 1 15 ? 6.194 -0.780 -3.503 1.00 94.32 15 A 1 ATOM 127 C CG1 . VAL A 1 15 ? 7.601 -0.216 -3.558 1.00 89.60 15 A 1 ATOM 128 C CG2 . VAL A 1 15 ? 5.255 0.095 -4.309 1.00 89.36 15 A 1 ATOM 129 N N . VAL A 1 16 ? 6.919 -3.574 -2.184 1.00 95.64 16 A 1 ATOM 130 C CA . VAL A 1 16 ? 7.872 -4.369 -1.408 1.00 95.03 16 A 1 ATOM 131 C C . VAL A 1 16 ? 8.466 -5.532 -2.215 1.00 95.31 16 A 1 ATOM 132 O O . VAL A 1 16 ? 9.690 -5.665 -2.299 1.00 93.65 16 A 1 ATOM 133 C CB . VAL A 1 16 ? 7.206 -4.886 -0.118 1.00 93.63 16 A 1 ATOM 134 C CG1 . VAL A 1 16 ? 8.081 -5.928 0.552 1.00 88.03 16 A 1 ATOM 135 C CG2 . VAL A 1 16 ? 6.945 -3.736 0.834 1.00 88.88 16 A 1 ATOM 136 N N . PRO A 1 17 ? 7.645 -6.383 -2.808 1.00 95.28 17 A 1 ATOM 137 C CA . PRO A 1 17 ? 8.151 -7.510 -3.595 1.00 94.84 17 A 1 ATOM 138 C C . PRO A 1 17 ? 8.898 -7.066 -4.846 1.00 95.47 17 A 1 ATOM 139 O O . PRO A 1 17 ? 9.781 -7.767 -5.335 1.00 93.61 17 A 1 ATOM 140 C CB . PRO A 1 17 ? 6.881 -8.286 -3.968 1.00 93.17 17 A 1 ATOM 141 C CG . PRO A 1 17 ? 5.777 -7.286 -3.876 1.00 91.86 17 A 1 ATOM 142 C CD . PRO A 1 17 ? 6.174 -6.342 -2.777 1.00 94.76 17 A 1 ATOM 143 N N . CYS A 1 18 ? 8.550 -5.916 -5.372 1.00 94.65 18 A 1 ATOM 144 C CA . CYS A 1 18 ? 9.198 -5.384 -6.566 1.00 94.62 18 A 1 ATOM 145 C C . CYS A 1 18 ? 10.586 -4.834 -6.240 1.00 94.58 18 A 1 ATOM 146 O O . CYS A 1 18 ? 11.500 -4.916 -7.061 1.00 92.13 18 A 1 ATOM 147 C CB . CYS A 1 18 ? 8.330 -4.281 -7.188 1.00 92.33 18 A 1 ATOM 148 S SG . CYS A 1 18 ? 6.905 -4.930 -8.089 1.00 86.25 18 A 1 ATOM 149 N N . LEU A 1 19 ? 10.726 -4.265 -5.037 1.00 94.23 19 A 1 ATOM 150 C CA . LEU A 1 19 ? 11.991 -3.683 -4.606 1.00 93.36 19 A 1 ATOM 151 C C . LEU A 1 19 ? 12.800 -4.655 -3.757 1.00 93.02 19 A 1 ATOM 152 O O . LEU A 1 19 ? 13.854 -4.302 -3.229 1.00 90.92 19 A 1 ATOM 153 C CB . LEU A 1 19 ? 11.735 -2.388 -3.823 1.00 91.76 19 A 1 ATOM 154 C CG . LEU A 1 19 ? 11.718 -1.114 -4.674 1.00 87.59 19 A 1 ATOM 155 C CD1 . LEU A 1 19 ? 13.104 -0.872 -5.247 1.00 81.14 19 A 1 ATOM 156 C CD2 . LEU A 1 19 ? 10.701 -1.203 -5.787 1.00 80.14 19 A 1 ATOM 157 N N . SER A 1 20 ? 12.309 -5.859 -3.628 1.00 91.88 20 A 1 ATOM 158 C CA . SER A 1 20 ? 12.971 -6.864 -2.810 1.00 90.24 20 A 1 ATOM 159 C C . SER A 1 20 ? 13.516 -8.015 -3.649 1.00 85.28 20 A 1 ATOM 160 O O . SER A 1 20 ? 13.265 -8.049 -4.873 1.00 79.67 20 A 1 ATOM 161 C CB . SER A 1 20 ? 12.001 -7.395 -1.749 1.00 85.35 20 A 1 ATOM 162 O OG . SER A 1 20 ? 12.677 -8.217 -0.811 1.00 75.63 20 A 1 ATOM 163 O OXT . SER A 1 20 ? 14.189 -8.882 -3.106 1.00 76.00 20 A 1 #