# 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_spkb42574 # _entry.id spkb42574 # 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" "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" "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" "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" "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 ASP 2 1 n SER 3 1 n ARG 4 1 n VAL 5 1 n SER 6 1 n ILE 7 1 n LEU 8 1 n PHE 9 1 n VAL 10 1 n CYS 11 1 n ALA 12 1 n ILE 13 1 n ALA 14 1 n VAL 15 1 n SER 16 1 n CYS 17 1 n PHE 18 1 n THR 19 1 n SER 20 1 n GLY 21 1 n SER 22 1 n ALA 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 @ 2025-07-06 20:15:03)" _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 87.01 _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 72.37 1 1 A ASP 2 2 78.00 1 2 A SER 3 2 89.98 1 3 A ARG 4 2 82.17 1 4 A VAL 5 2 90.31 1 5 A SER 6 2 90.95 1 6 A ILE 7 2 91.61 1 7 A LEU 8 2 89.72 1 8 A PHE 9 2 89.92 1 9 A VAL 10 2 94.17 1 10 A CYS 11 2 91.90 1 11 A ALA 12 2 94.94 1 12 A ILE 13 2 92.30 1 13 A ALA 14 2 94.95 1 14 A VAL 15 2 93.08 1 15 A SER 16 2 91.20 1 16 A CYS 17 2 91.28 1 17 A PHE 18 2 89.87 1 18 A THR 19 2 88.92 1 19 A SER 20 2 85.60 1 20 A GLY 21 2 83.57 1 21 A SER 22 2 68.92 1 22 A ALA 23 2 66.70 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 ASP . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n CYS . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n GLY . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n ALA . 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 ? -3.626 5.066 -17.117 1.00 78.74 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.093 4.422 -15.898 1.00 81.89 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.262 3.785 -15.170 1.00 83.96 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.261 4.468 -14.945 1.00 76.63 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.377 5.436 -15.006 1.00 73.65 1 A 1 ATOM 6 C CG . MET A 1 1 ? -0.978 5.764 -15.546 1.00 67.99 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.245 7.221 -14.766 1.00 60.56 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.465 7.047 -15.294 1.00 55.55 1 A 1 ATOM 9 N N . ASP A 1 2 ? -4.190 2.508 -14.895 1.00 83.32 2 A 1 ATOM 10 C CA . ASP A 1 2 ? -5.302 1.762 -14.308 1.00 86.98 2 A 1 ATOM 11 C C . ASP A 1 2 ? -5.372 2.049 -12.800 1.00 88.90 2 A 1 ATOM 12 O O . ASP A 1 2 ? -4.375 1.887 -12.095 1.00 83.74 2 A 1 ATOM 13 C CB . ASP A 1 2 ? -5.128 0.268 -14.613 1.00 79.87 2 A 1 ATOM 14 C CG . ASP A 1 2 ? -6.441 -0.423 -14.949 1.00 68.47 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? -7.276 -0.564 -14.039 1.00 67.15 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? -6.595 -0.837 -16.110 1.00 65.59 2 A 1 ATOM 17 N N . SER A 1 3 ? -6.531 2.455 -12.297 1.00 92.72 3 A 1 ATOM 18 C CA . SER A 1 3 ? -6.727 2.762 -10.872 1.00 94.17 3 A 1 ATOM 19 C C . SER A 1 3 ? -6.442 1.550 -9.975 1.00 94.70 3 A 1 ATOM 20 O O . SER A 1 3 ? -6.045 1.713 -8.825 1.00 91.32 3 A 1 ATOM 21 C CB . SER A 1 3 ? -8.157 3.241 -10.634 1.00 90.45 3 A 1 ATOM 22 O OG . SER A 1 3 ? -8.439 4.370 -11.449 1.00 76.55 3 A 1 ATOM 23 N N . ARG A 1 4 ? -6.584 0.333 -10.520 1.00 90.50 4 A 1 ATOM 24 C CA . ARG A 1 4 ? -6.274 -0.913 -9.799 1.00 92.81 4 A 1 ATOM 25 C C . ARG A 1 4 ? -4.795 -1.038 -9.446 1.00 93.37 4 A 1 ATOM 26 O O . ARG A 1 4 ? -4.476 -1.516 -8.367 1.00 91.46 4 A 1 ATOM 27 C CB . ARG A 1 4 ? -6.737 -2.113 -10.625 1.00 90.88 4 A 1 ATOM 28 C CG . ARG A 1 4 ? -8.264 -2.171 -10.694 1.00 84.74 4 A 1 ATOM 29 C CD . ARG A 1 4 ? -8.733 -3.424 -11.415 1.00 80.65 4 A 1 ATOM 30 N NE . ARG A 1 4 ? -8.608 -3.275 -12.870 1.00 74.78 4 A 1 ATOM 31 C CZ . ARG A 1 4 ? -9.079 -4.115 -13.775 1.00 71.56 4 A 1 ATOM 32 N NH1 . ARG A 1 4 ? -9.671 -5.243 -13.435 1.00 67.72 4 A 1 ATOM 33 N NH2 . ARG A 1 4 ? -8.966 -3.820 -15.033 1.00 65.41 4 A 1 ATOM 34 N N . VAL A 1 5 ? -3.910 -0.577 -10.305 1.00 92.78 5 A 1 ATOM 35 C CA . VAL A 1 5 ? -2.463 -0.590 -10.048 1.00 93.30 5 A 1 ATOM 36 C C . VAL A 1 5 ? -2.119 0.338 -8.884 1.00 94.34 5 A 1 ATOM 37 O O . VAL A 1 5 ? -1.364 -0.041 -7.991 1.00 92.99 5 A 1 ATOM 38 C CB . VAL A 1 5 ? -1.675 -0.213 -11.310 1.00 91.33 5 A 1 ATOM 39 C CG1 . VAL A 1 5 ? -0.169 -0.204 -11.050 1.00 83.11 5 A 1 ATOM 40 C CG2 . VAL A 1 5 ? -1.962 -1.198 -12.443 1.00 84.33 5 A 1 ATOM 41 N N . SER A 1 6 ? -2.729 1.521 -8.837 1.00 93.10 6 A 1 ATOM 42 C CA . SER A 1 6 ? -2.555 2.463 -7.728 1.00 93.87 6 A 1 ATOM 43 C C . SER A 1 6 ? -3.065 1.886 -6.403 1.00 95.01 6 A 1 ATOM 44 O O . SER A 1 6 ? -2.401 2.034 -5.383 1.00 94.16 6 A 1 ATOM 45 C CB . SER A 1 6 ? -3.274 3.774 -8.027 1.00 91.75 6 A 1 ATOM 46 O OG . SER A 1 6 ? -2.765 4.346 -9.220 1.00 77.81 6 A 1 ATOM 47 N N . ILE A 1 7 ? -4.195 1.186 -6.407 1.00 94.08 7 A 1 ATOM 48 C CA . ILE A 1 7 ? -4.746 0.534 -5.211 1.00 94.64 7 A 1 ATOM 49 C C . ILE A 1 7 ? -3.795 -0.551 -4.698 1.00 95.47 7 A 1 ATOM 50 O O . ILE A 1 7 ? -3.524 -0.608 -3.498 1.00 94.73 7 A 1 ATOM 51 C CB . ILE A 1 7 ? -6.150 -0.031 -5.496 1.00 94.44 7 A 1 ATOM 52 C CG1 . ILE A 1 7 ? -7.152 1.117 -5.732 1.00 89.95 7 A 1 ATOM 53 C CG2 . ILE A 1 7 ? -6.640 -0.919 -4.334 1.00 88.78 7 A 1 ATOM 54 C CD1 . ILE A 1 7 ? -8.467 0.665 -6.367 1.00 80.80 7 A 1 ATOM 55 N N . LEU A 1 8 ? -3.254 -1.381 -5.582 1.00 93.84 8 A 1 ATOM 56 C CA . LEU A 1 8 ? -2.284 -2.414 -5.203 1.00 93.83 8 A 1 ATOM 57 C C . LEU A 1 8 ? -1.018 -1.804 -4.594 1.00 94.76 8 A 1 ATOM 58 O O . LEU A 1 8 ? -0.518 -2.301 -3.585 1.00 94.63 8 A 1 ATOM 59 C CB . LEU A 1 8 ? -1.926 -3.259 -6.434 1.00 93.48 8 A 1 ATOM 60 C CG . LEU A 1 8 ? -3.040 -4.216 -6.883 1.00 83.83 8 A 1 ATOM 61 C CD1 . LEU A 1 8 ? -2.663 -4.841 -8.230 1.00 81.92 8 A 1 ATOM 62 C CD2 . LEU A 1 8 ? -3.260 -5.343 -5.875 1.00 81.50 8 A 1 ATOM 63 N N . PHE A 1 9 ? -0.540 -0.701 -5.153 1.00 91.86 9 A 1 ATOM 64 C CA . PHE A 1 9 ? 0.623 0.014 -4.634 1.00 92.92 9 A 1 ATOM 65 C C . PHE A 1 9 ? 0.369 0.575 -3.230 1.00 94.54 9 A 1 ATOM 66 O O . PHE A 1 9 ? 1.168 0.360 -2.317 1.00 94.03 9 A 1 ATOM 67 C CB . PHE A 1 9 ? 0.996 1.117 -5.631 1.00 92.38 9 A 1 ATOM 68 C CG . PHE A 1 9 ? 2.255 1.853 -5.245 1.00 90.17 9 A 1 ATOM 69 C CD1 . PHE A 1 9 ? 3.503 1.221 -5.394 1.00 87.11 9 A 1 ATOM 70 C CD2 . PHE A 1 9 ? 2.191 3.153 -4.735 1.00 87.22 9 A 1 ATOM 71 C CE1 . PHE A 1 9 ? 4.684 1.880 -5.027 1.00 85.90 9 A 1 ATOM 72 C CE2 . PHE A 1 9 ? 3.375 3.820 -4.360 1.00 85.85 9 A 1 ATOM 73 C CZ . PHE A 1 9 ? 4.620 3.182 -4.499 1.00 87.11 9 A 1 ATOM 74 N N . VAL A 1 10 ? -0.773 1.238 -3.022 1.00 94.57 10 A 1 ATOM 75 C CA . VAL A 1 10 ? -1.167 1.771 -1.706 1.00 95.26 10 A 1 ATOM 76 C C . VAL A 1 10 ? -1.364 0.641 -0.694 1.00 96.09 10 A 1 ATOM 77 O O . VAL A 1 10 ? -0.926 0.760 0.450 1.00 95.42 10 A 1 ATOM 78 C CB . VAL A 1 10 ? -2.434 2.635 -1.830 1.00 94.40 10 A 1 ATOM 79 C CG1 . VAL A 1 10 ? -2.987 3.062 -0.471 1.00 91.73 10 A 1 ATOM 80 C CG2 . VAL A 1 10 ? -2.135 3.907 -2.625 1.00 91.71 10 A 1 ATOM 81 N N . CYS A 1 11 ? -1.960 -0.467 -1.106 1.00 93.25 11 A 1 ATOM 82 C CA . CYS A 1 11 ? -2.151 -1.639 -0.250 1.00 93.50 11 A 1 ATOM 83 C C . CYS A 1 11 ? -0.806 -2.223 0.203 1.00 94.27 11 A 1 ATOM 84 O O . CYS A 1 11 ? -0.629 -2.509 1.385 1.00 92.73 11 A 1 ATOM 85 C CB . CYS A 1 11 ? -3.000 -2.670 -1.008 1.00 92.02 11 A 1 ATOM 86 S SG . CYS A 1 11 ? -3.472 -4.023 0.086 1.00 85.64 11 A 1 ATOM 87 N N . ALA A 1 12 ? 0.164 -2.334 -0.697 1.00 94.89 12 A 1 ATOM 88 C CA . ALA A 1 12 ? 1.504 -2.812 -0.360 1.00 95.34 12 A 1 ATOM 89 C C . ALA A 1 12 ? 2.200 -1.897 0.660 1.00 95.75 12 A 1 ATOM 90 O O . ALA A 1 12 ? 2.789 -2.388 1.623 1.00 94.27 12 A 1 ATOM 91 C CB . ALA A 1 12 ? 2.318 -2.938 -1.652 1.00 94.45 12 A 1 ATOM 92 N N . ILE A 1 13 ? 2.084 -0.585 0.506 1.00 94.96 13 A 1 ATOM 93 C CA . ILE A 1 13 ? 2.627 0.385 1.464 1.00 94.47 13 A 1 ATOM 94 C C . ILE A 1 13 ? 1.928 0.252 2.819 1.00 94.74 13 A 1 ATOM 95 O O . ILE A 1 13 ? 2.599 0.224 3.852 1.00 93.77 13 A 1 ATOM 96 C CB . ILE A 1 13 ? 2.509 1.820 0.917 1.00 93.88 13 A 1 ATOM 97 C CG1 . ILE A 1 13 ? 3.428 2.008 -0.306 1.00 91.10 13 A 1 ATOM 98 C CG2 . ILE A 1 13 ? 2.879 2.857 1.997 1.00 90.43 13 A 1 ATOM 99 C CD1 . ILE A 1 13 ? 3.129 3.283 -1.087 1.00 85.03 13 A 1 ATOM 100 N N . ALA A 1 14 ? 0.606 0.143 2.839 1.00 95.34 14 A 1 ATOM 101 C CA . ALA A 1 14 ? -0.164 0.010 4.074 1.00 95.32 14 A 1 ATOM 102 C C . ALA A 1 14 ? 0.218 -1.260 4.848 1.00 95.62 14 A 1 ATOM 103 O O . ALA A 1 14 ? 0.448 -1.193 6.055 1.00 94.21 14 A 1 ATOM 104 C CB . ALA A 1 14 ? -1.658 0.031 3.733 1.00 94.24 14 A 1 ATOM 105 N N . VAL A 1 15 ? 0.358 -2.394 4.169 1.00 95.29 15 A 1 ATOM 106 C CA . VAL A 1 15 ? 0.804 -3.656 4.776 1.00 94.79 15 A 1 ATOM 107 C C . VAL A 1 15 ? 2.228 -3.526 5.312 1.00 95.17 15 A 1 ATOM 108 O O . VAL A 1 15 ? 2.490 -3.913 6.452 1.00 93.89 15 A 1 ATOM 109 C CB . VAL A 1 15 ? 0.689 -4.809 3.768 1.00 93.53 15 A 1 ATOM 110 C CG1 . VAL A 1 15 ? 1.313 -6.100 4.292 1.00 89.15 15 A 1 ATOM 111 C CG2 . VAL A 1 15 ? -0.775 -5.099 3.453 1.00 89.75 15 A 1 ATOM 112 N N . SER A 1 16 ? 3.136 -2.932 4.552 1.00 94.07 16 A 1 ATOM 113 C CA . SER A 1 16 ? 4.517 -2.702 4.987 1.00 93.66 16 A 1 ATOM 114 C C . SER A 1 16 ? 4.583 -1.796 6.221 1.00 94.00 16 A 1 ATOM 115 O O . SER A 1 16 ? 5.307 -2.097 7.171 1.00 92.14 16 A 1 ATOM 116 C CB . SER A 1 16 ? 5.321 -2.096 3.836 1.00 92.09 16 A 1 ATOM 117 O OG . SER A 1 16 ? 6.682 -1.974 4.197 1.00 81.24 16 A 1 ATOM 118 N N . CYS A 1 17 ? 3.793 -0.722 6.255 1.00 93.50 17 A 1 ATOM 119 C CA . CYS A 1 17 ? 3.713 0.188 7.394 1.00 93.36 17 A 1 ATOM 120 C C . CYS A 1 17 ? 3.150 -0.519 8.634 1.00 93.88 17 A 1 ATOM 121 O O . CYS A 1 17 ? 3.694 -0.374 9.727 1.00 91.83 17 A 1 ATOM 122 C CB . CYS A 1 17 ? 2.860 1.400 6.997 1.00 91.44 17 A 1 ATOM 123 S SG . CYS A 1 17 ? 2.917 2.665 8.280 1.00 83.66 17 A 1 ATOM 124 N N . PHE A 1 18 ? 2.101 -1.326 8.465 1.00 93.60 18 A 1 ATOM 125 C CA . PHE A 1 18 ? 1.511 -2.103 9.551 1.00 93.66 18 A 1 ATOM 126 C C . PHE A 1 18 ? 2.498 -3.132 10.110 1.00 94.37 18 A 1 ATOM 127 O O . PHE A 1 18 ? 2.679 -3.212 11.324 1.00 93.32 18 A 1 ATOM 128 C CB . PHE A 1 18 ? 0.234 -2.775 9.046 1.00 92.92 18 A 1 ATOM 129 C CG . PHE A 1 18 ? -0.510 -3.519 10.130 1.00 89.73 18 A 1 ATOM 130 C CD1 . PHE A 1 18 ? -0.342 -4.902 10.286 1.00 86.96 18 A 1 ATOM 131 C CD2 . PHE A 1 18 ? -1.344 -2.817 11.009 1.00 86.74 18 A 1 ATOM 132 C CE1 . PHE A 1 18 ? -1.006 -5.584 11.313 1.00 85.33 18 A 1 ATOM 133 C CE2 . PHE A 1 18 ? -2.010 -3.499 12.040 1.00 86.13 18 A 1 ATOM 134 C CZ . PHE A 1 18 ? -1.839 -4.878 12.191 1.00 85.77 18 A 1 ATOM 135 N N . THR A 1 19 ? 3.182 -3.861 9.242 1.00 93.38 19 A 1 ATOM 136 C CA . THR A 1 19 ? 4.201 -4.840 9.652 1.00 92.61 19 A 1 ATOM 137 C C . THR A 1 19 ? 5.386 -4.178 10.353 1.00 92.54 19 A 1 ATOM 138 O O . THR A 1 19 ? 5.885 -4.716 11.337 1.00 90.56 19 A 1 ATOM 139 C CB . THR A 1 19 ? 4.660 -5.641 8.426 1.00 90.66 19 A 1 ATOM 140 O OG1 . THR A 1 19 ? 3.722 -6.656 8.179 1.00 83.10 19 A 1 ATOM 141 C CG2 . THR A 1 19 ? 6.008 -6.345 8.576 1.00 79.59 19 A 1 ATOM 142 N N . SER A 1 20 ? 5.821 -3.011 9.889 1.00 91.01 20 A 1 ATOM 143 C CA . SER A 1 20 ? 6.938 -2.278 10.501 1.00 89.72 20 A 1 ATOM 144 C C . SER A 1 20 ? 6.546 -1.574 11.802 1.00 88.96 20 A 1 ATOM 145 O O . SER A 1 20 ? 7.401 -1.354 12.657 1.00 83.65 20 A 1 ATOM 146 C CB . SER A 1 20 ? 7.486 -1.264 9.503 1.00 86.64 20 A 1 ATOM 147 O OG . SER A 1 20 ? 8.698 -0.717 9.981 1.00 73.59 20 A 1 ATOM 148 N N . GLY A 1 21 ? 5.282 -1.190 11.962 1.00 88.07 21 A 1 ATOM 149 C CA . GLY A 1 21 ? 4.757 -0.508 13.148 1.00 84.27 21 A 1 ATOM 150 C C . GLY A 1 21 ? 4.189 -1.457 14.204 1.00 83.35 21 A 1 ATOM 151 O O . GLY A 1 21 ? 3.785 -1.000 15.270 1.00 78.58 21 A 1 ATOM 152 N N . SER A 1 22 ? 4.146 -2.757 13.937 1.00 75.34 22 A 1 ATOM 153 C CA . SER A 1 22 ? 3.733 -3.773 14.907 1.00 72.96 22 A 1 ATOM 154 C C . SER A 1 22 ? 4.893 -4.084 15.857 1.00 70.62 22 A 1 ATOM 155 O O . SER A 1 22 ? 5.620 -5.054 15.670 1.00 65.77 22 A 1 ATOM 156 C CB . SER A 1 22 ? 3.221 -5.022 14.189 1.00 68.36 22 A 1 ATOM 157 O OG . SER A 1 22 ? 2.617 -5.907 15.105 1.00 60.50 22 A 1 ATOM 158 N N . ALA A 1 23 ? 5.083 -3.239 16.863 1.00 76.99 23 A 1 ATOM 159 C CA . ALA A 1 23 ? 5.983 -3.457 17.988 1.00 72.86 23 A 1 ATOM 160 C C . ALA A 1 23 ? 5.173 -3.602 19.282 1.00 67.55 23 A 1 ATOM 161 O O . ALA A 1 23 ? 4.114 -2.951 19.396 1.00 61.87 23 A 1 ATOM 162 C CB . ALA A 1 23 ? 7.001 -2.323 18.060 1.00 64.15 23 A 1 ATOM 163 O OXT . ALA A 1 23 ? 5.616 -4.370 20.171 1.00 56.78 23 A 1 #