# 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_spkb31543 # _entry.id spkb31543 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[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 GLY 2 1 n SER 3 1 n LEU 4 1 n THR 5 1 n THR 6 1 n ASN 7 1 n ILE 8 1 n VAL 9 1 n LEU 10 1 n ALA 11 1 n VAL 12 1 n ALA 13 1 n VAL 14 1 n VAL 15 1 n ALA 16 1 n ALA 17 1 n LEU 18 1 n VAL 19 1 n GLY 20 1 n GLY 21 1 n GLY 22 1 n SER 23 1 n CYS 24 # _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 10:33:59)" _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 91.73 _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 71.84 1 1 A GLY 2 2 86.73 1 2 A SER 3 2 91.45 1 3 A LEU 4 2 92.91 1 4 A THR 5 2 95.48 1 5 A THR 6 2 96.28 1 6 A ASN 7 2 95.45 1 7 A ILE 8 2 96.24 1 8 A VAL 9 2 97.22 1 9 A LEU 10 2 95.14 1 10 A ALA 11 2 97.21 1 11 A VAL 12 2 97.02 1 12 A ALA 13 2 97.23 1 13 A VAL 14 2 96.36 1 14 A VAL 15 2 96.18 1 15 A ALA 16 2 95.98 1 16 A ALA 17 2 96.45 1 17 A LEU 18 2 93.04 1 18 A VAL 19 2 93.90 1 19 A GLY 20 2 91.49 1 20 A GLY 21 2 86.28 1 21 A GLY 22 2 82.36 1 22 A SER 23 2 80.57 1 23 A CYS 24 2 74.97 1 24 # _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 GLY . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n ASN . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n GLY . 21 A 21 A 22 1 n GLY . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n CYS . 24 A 24 # _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 ? 6.623 -11.737 4.349 1.00 76.79 1 A 1 ATOM 2 C CA . MET A 1 1 ? 5.762 -11.302 3.242 1.00 79.43 1 A 1 ATOM 3 C C . MET A 1 1 ? 5.525 -12.474 2.294 1.00 80.51 1 A 1 ATOM 4 O O . MET A 1 1 ? 5.884 -12.431 1.121 1.00 72.66 1 A 1 ATOM 5 C CB . MET A 1 1 ? 6.394 -10.153 2.460 1.00 71.77 1 A 1 ATOM 6 C CG . MET A 1 1 ? 6.578 -8.886 3.300 1.00 70.02 1 A 1 ATOM 7 S SD . MET A 1 1 ? 7.812 -9.064 4.580 1.00 65.80 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.776 -7.431 5.301 1.00 57.73 1 A 1 ATOM 9 N N . GLY A 1 2 ? 4.954 -13.516 2.827 1.00 83.98 2 A 1 ATOM 10 C CA . GLY A 1 2 ? 4.682 -14.695 2.020 1.00 86.85 2 A 1 ATOM 11 C C . GLY A 1 2 ? 3.200 -14.952 1.834 1.00 89.69 2 A 1 ATOM 12 O O . GLY A 1 2 ? 2.806 -15.828 1.074 1.00 86.39 2 A 1 ATOM 13 N N . SER A 1 3 ? 2.373 -14.179 2.521 1.00 90.51 3 A 1 ATOM 14 C CA . SER A 1 3 ? 0.930 -14.336 2.431 1.00 94.67 3 A 1 ATOM 15 C C . SER A 1 3 ? 0.289 -13.136 1.742 1.00 96.69 3 A 1 ATOM 16 O O . SER A 1 3 ? 0.794 -12.019 1.822 1.00 95.60 3 A 1 ATOM 17 C CB . SER A 1 3 ? 0.324 -14.512 3.826 1.00 90.64 3 A 1 ATOM 18 O OG . SER A 1 3 ? 0.655 -13.428 4.662 1.00 80.56 3 A 1 ATOM 19 N N . LEU A 1 4 ? -0.831 -13.363 1.071 1.00 96.06 4 A 1 ATOM 20 C CA . LEU A 1 4 ? -1.554 -12.308 0.376 1.00 96.80 4 A 1 ATOM 21 C C . LEU A 1 4 ? -1.986 -11.214 1.344 1.00 97.57 4 A 1 ATOM 22 O O . LEU A 1 4 ? -2.019 -10.040 0.992 1.00 97.15 4 A 1 ATOM 23 C CB . LEU A 1 4 ? -2.782 -12.882 -0.340 1.00 95.96 4 A 1 ATOM 24 C CG . LEU A 1 4 ? -3.788 -13.554 0.599 1.00 88.28 4 A 1 ATOM 25 C CD1 . LEU A 1 4 ? -5.143 -13.634 -0.091 1.00 86.29 4 A 1 ATOM 26 C CD2 . LEU A 1 4 ? -3.320 -14.948 0.993 1.00 85.16 4 A 1 ATOM 27 N N . THR A 1 5 ? -2.315 -11.606 2.569 1.00 97.34 5 A 1 ATOM 28 C CA . THR A 1 5 ? -2.755 -10.659 3.590 1.00 97.54 5 A 1 ATOM 29 C C . THR A 1 5 ? -1.674 -9.625 3.880 1.00 97.78 5 A 1 ATOM 30 O O . THR A 1 5 ? -1.950 -8.428 3.980 1.00 97.22 5 A 1 ATOM 31 C CB . THR A 1 5 ? -3.105 -11.383 4.896 1.00 96.60 5 A 1 ATOM 32 O OG1 . THR A 1 5 ? -4.055 -12.414 4.639 1.00 91.04 5 A 1 ATOM 33 C CG2 . THR A 1 5 ? -3.676 -10.404 5.909 1.00 90.81 5 A 1 ATOM 34 N N . THR A 1 6 ? -0.441 -10.077 4.010 1.00 97.90 6 A 1 ATOM 35 C CA . THR A 1 6 ? 0.679 -9.182 4.298 1.00 97.78 6 A 1 ATOM 36 C C . THR A 1 6 ? 0.856 -8.156 3.184 1.00 98.12 6 A 1 ATOM 37 O O . THR A 1 6 ? 1.080 -6.974 3.439 1.00 97.80 6 A 1 ATOM 38 C CB . THR A 1 6 ? 1.983 -9.964 4.462 1.00 97.04 6 A 1 ATOM 39 O OG1 . THR A 1 6 ? 1.820 -10.966 5.469 1.00 93.20 6 A 1 ATOM 40 C CG2 . THR A 1 6 ? 3.115 -9.030 4.859 1.00 92.10 6 A 1 ATOM 41 N N . ASN A 1 7 ? 0.753 -8.608 1.941 1.00 97.46 7 A 1 ATOM 42 C CA . ASN A 1 7 ? 0.898 -7.716 0.796 1.00 97.55 7 A 1 ATOM 43 C C . ASN A 1 7 ? -0.180 -6.639 0.793 1.00 98.01 7 A 1 ATOM 44 O O . ASN A 1 7 ? 0.088 -5.472 0.530 1.00 97.54 7 A 1 ATOM 45 C CB . ASN A 1 7 ? 0.822 -8.525 -0.500 1.00 96.86 7 A 1 ATOM 46 C CG . ASN A 1 7 ? 2.066 -9.367 -0.686 1.00 94.38 7 A 1 ATOM 47 O OD1 . ASN A 1 7 ? 3.177 -8.919 -0.436 1.00 91.79 7 A 1 ATOM 48 N ND2 . ASN A 1 7 ? 1.903 -10.595 -1.134 1.00 90.00 7 A 1 ATOM 49 N N . ILE A 1 8 ? -1.401 -7.031 1.092 1.00 97.85 8 A 1 ATOM 50 C CA . ILE A 1 8 ? -2.522 -6.102 1.125 1.00 97.88 8 A 1 ATOM 51 C C . ILE A 1 8 ? -2.327 -5.056 2.215 1.00 98.13 8 A 1 ATOM 52 O O . ILE A 1 8 ? -2.555 -3.863 2.002 1.00 97.98 8 A 1 ATOM 53 C CB . ILE A 1 8 ? -3.841 -6.852 1.361 1.00 97.71 8 A 1 ATOM 54 C CG1 . ILE A 1 8 ? -4.130 -7.788 0.188 1.00 95.50 8 A 1 ATOM 55 C CG2 . ILE A 1 8 ? -4.987 -5.858 1.530 1.00 94.80 8 A 1 ATOM 56 C CD1 . ILE A 1 8 ? -5.289 -8.725 0.447 1.00 90.04 8 A 1 ATOM 57 N N . VAL A 1 9 ? -1.905 -5.500 3.381 1.00 97.70 9 A 1 ATOM 58 C CA . VAL A 1 9 ? -1.680 -4.595 4.505 1.00 97.69 9 A 1 ATOM 59 C C . VAL A 1 9 ? -0.637 -3.542 4.150 1.00 97.92 9 A 1 ATOM 60 O O . VAL A 1 9 ? -0.814 -2.353 4.425 1.00 97.76 9 A 1 ATOM 61 C CB . VAL A 1 9 ? -1.225 -5.368 5.749 1.00 97.29 9 A 1 ATOM 62 C CG1 . VAL A 1 9 ? -0.853 -4.407 6.875 1.00 96.13 9 A 1 ATOM 63 C CG2 . VAL A 1 9 ? -2.322 -6.314 6.209 1.00 96.03 9 A 1 ATOM 64 N N . LEU A 1 10 ? 0.445 -3.977 3.549 1.00 97.71 10 A 1 ATOM 65 C CA . LEU A 1 10 ? 1.516 -3.064 3.165 1.00 97.44 10 A 1 ATOM 66 C C . LEU A 1 10 ? 1.024 -2.040 2.150 1.00 97.80 10 A 1 ATOM 67 O O . LEU A 1 10 ? 1.331 -0.851 2.249 1.00 97.73 10 A 1 ATOM 68 C CB . LEU A 1 10 ? 2.683 -3.856 2.574 1.00 96.83 10 A 1 ATOM 69 C CG . LEU A 1 10 ? 3.440 -4.704 3.602 1.00 91.81 10 A 1 ATOM 70 C CD1 . LEU A 1 10 ? 4.455 -5.599 2.903 1.00 91.33 10 A 1 ATOM 71 C CD2 . LEU A 1 10 ? 4.134 -3.810 4.620 1.00 90.47 10 A 1 ATOM 72 N N . ALA A 1 11 ? 0.254 -2.500 1.179 1.00 97.17 11 A 1 ATOM 73 C CA . ALA A 1 11 ? -0.281 -1.617 0.151 1.00 97.29 11 A 1 ATOM 74 C C . ALA A 1 11 ? -1.175 -0.544 0.760 1.00 97.65 11 A 1 ATOM 75 O O . ALA A 1 11 ? -1.077 0.636 0.418 1.00 97.17 11 A 1 ATOM 76 C CB . ALA A 1 11 ? -1.068 -2.427 -0.871 1.00 96.75 11 A 1 ATOM 77 N N . VAL A 1 12 ? -2.042 -0.945 1.662 1.00 97.66 12 A 1 ATOM 78 C CA . VAL A 1 12 ? -2.953 -0.013 2.322 1.00 97.61 12 A 1 ATOM 79 C C . VAL A 1 12 ? -2.175 1.018 3.126 1.00 97.86 12 A 1 ATOM 80 O O . VAL A 1 12 ? -2.498 2.210 3.115 1.00 97.54 12 A 1 ATOM 81 C CB . VAL A 1 12 ? -3.920 -0.761 3.251 1.00 97.12 12 A 1 ATOM 82 C CG1 . VAL A 1 12 ? -4.772 0.221 4.050 1.00 95.63 12 A 1 ATOM 83 C CG2 . VAL A 1 12 ? -4.810 -1.691 2.441 1.00 95.69 12 A 1 ATOM 84 N N . ALA A 1 13 ? -1.157 0.564 3.832 1.00 97.63 13 A 1 ATOM 85 C CA . ALA A 1 13 ? -0.339 1.456 4.646 1.00 97.39 13 A 1 ATOM 86 C C . ALA A 1 13 ? 0.334 2.521 3.788 1.00 97.55 13 A 1 ATOM 87 O O . ALA A 1 13 ? 0.393 3.692 4.169 1.00 96.78 13 A 1 ATOM 88 C CB . ALA A 1 13 ? 0.717 0.651 5.395 1.00 96.79 13 A 1 ATOM 89 N N . VAL A 1 14 ? 0.842 2.125 2.641 1.00 97.21 14 A 1 ATOM 90 C CA . VAL A 1 14 ? 1.499 3.059 1.730 1.00 96.99 14 A 1 ATOM 91 C C . VAL A 1 14 ? 0.525 4.121 1.245 1.00 97.24 14 A 1 ATOM 92 O O . VAL A 1 14 ? 0.839 5.315 1.232 1.00 96.82 14 A 1 ATOM 93 C CB . VAL A 1 14 ? 2.086 2.320 0.520 1.00 96.36 14 A 1 ATOM 94 C CG1 . VAL A 1 14 ? 2.650 3.315 -0.492 1.00 95.03 14 A 1 ATOM 95 C CG2 . VAL A 1 14 ? 3.176 1.362 0.977 1.00 94.85 14 A 1 ATOM 96 N N . VAL A 1 15 ? -0.652 3.696 0.845 1.00 96.97 15 A 1 ATOM 97 C CA . VAL A 1 15 ? -1.673 4.625 0.362 1.00 96.73 15 A 1 ATOM 98 C C . VAL A 1 15 ? -2.066 5.606 1.454 1.00 96.99 15 A 1 ATOM 99 O O . VAL A 1 15 ? -2.187 6.810 1.215 1.00 96.74 15 A 1 ATOM 100 C CB . VAL A 1 15 ? -2.920 3.868 -0.110 1.00 96.04 15 A 1 ATOM 101 C CG1 . VAL A 1 15 ? -4.020 4.847 -0.504 1.00 94.75 15 A 1 ATOM 102 C CG2 . VAL A 1 15 ? -2.571 2.961 -1.277 1.00 95.07 15 A 1 ATOM 103 N N . ALA A 1 16 ? -2.272 5.096 2.651 1.00 96.95 16 A 1 ATOM 104 C CA . ALA A 1 16 ? -2.662 5.934 3.777 1.00 96.28 16 A 1 ATOM 105 C C . ALA A 1 16 ? -1.592 6.972 4.080 1.00 96.42 16 A 1 ATOM 106 O O . ALA A 1 16 ? -1.899 8.139 4.336 1.00 94.97 16 A 1 ATOM 107 C CB . ALA A 1 16 ? -2.905 5.069 5.008 1.00 95.30 16 A 1 ATOM 108 N N . ALA A 1 17 ? -0.338 6.566 4.058 1.00 97.11 17 A 1 ATOM 109 C CA . ALA A 1 17 ? 0.772 7.472 4.328 1.00 96.70 17 A 1 ATOM 110 C C . ALA A 1 17 ? 0.855 8.565 3.268 1.00 96.94 17 A 1 ATOM 111 O O . ALA A 1 17 ? 1.106 9.729 3.580 1.00 95.46 17 A 1 ATOM 112 C CB . ALA A 1 17 ? 2.080 6.693 4.372 1.00 96.04 17 A 1 ATOM 113 N N . LEU A 1 18 ? 0.639 8.194 2.023 1.00 96.28 18 A 1 ATOM 114 C CA . LEU A 1 18 ? 0.687 9.149 0.917 1.00 95.81 18 A 1 ATOM 115 C C . LEU A 1 18 ? -0.371 10.230 1.084 1.00 95.84 18 A 1 ATOM 116 O O . LEU A 1 18 ? -0.094 11.422 0.941 1.00 94.23 18 A 1 ATOM 117 C CB . LEU A 1 18 ? 0.460 8.422 -0.409 1.00 94.78 18 A 1 ATOM 118 C CG . LEU A 1 18 ? 0.550 9.339 -1.629 1.00 90.90 18 A 1 ATOM 119 C CD1 . LEU A 1 18 ? 1.968 9.865 -1.788 1.00 88.66 18 A 1 ATOM 120 C CD2 . LEU A 1 18 ? 0.122 8.590 -2.884 1.00 87.79 18 A 1 ATOM 121 N N . VAL A 1 19 ? -1.584 9.819 1.378 1.00 96.74 19 A 1 ATOM 122 C CA . VAL A 1 19 ? -2.687 10.759 1.578 1.00 96.12 19 A 1 ATOM 123 C C . VAL A 1 19 ? -2.505 11.540 2.866 1.00 95.85 19 A 1 ATOM 124 O O . VAL A 1 19 ? -2.939 12.689 2.979 1.00 93.72 19 A 1 ATOM 125 C CB . VAL A 1 19 ? -4.031 10.013 1.618 1.00 94.48 19 A 1 ATOM 126 C CG1 . VAL A 1 19 ? -5.176 10.979 1.882 1.00 89.52 19 A 1 ATOM 127 C CG2 . VAL A 1 19 ? -4.254 9.268 0.312 1.00 90.84 19 A 1 ATOM 128 N N . GLY A 1 20 ? -1.848 10.933 3.831 1.00 93.67 20 A 1 ATOM 129 C CA . GLY A 1 20 ? -1.631 11.559 5.133 1.00 92.48 20 A 1 ATOM 130 C C . GLY A 1 20 ? -0.804 12.828 5.063 1.00 91.85 20 A 1 ATOM 131 O O . GLY A 1 20 ? -0.740 13.585 6.033 1.00 87.96 20 A 1 ATOM 132 N N . GLY A 1 21 ? -0.173 13.078 3.928 1.00 90.54 21 A 1 ATOM 133 C CA . GLY A 1 21 ? 0.628 14.287 3.772 1.00 87.48 21 A 1 ATOM 134 C C . GLY A 1 21 ? 1.538 14.227 2.564 1.00 86.58 21 A 1 ATOM 135 O O . GLY A 1 21 ? 2.759 14.169 2.701 1.00 80.53 21 A 1 ATOM 136 N N . GLY A 1 22 ? 0.939 14.254 1.389 1.00 87.07 22 A 1 ATOM 137 C CA . GLY A 1 22 ? 1.715 14.201 0.164 1.00 83.66 22 A 1 ATOM 138 C C . GLY A 1 22 ? 0.834 14.266 -1.068 1.00 82.17 22 A 1 ATOM 139 O O . GLY A 1 22 ? 1.183 13.740 -2.121 1.00 76.55 22 A 1 ATOM 140 N N . SER A 1 23 ? -0.310 14.900 -0.921 1.00 85.49 23 A 1 ATOM 141 C CA . SER A 1 23 ? -1.266 15.012 -2.014 1.00 83.69 23 A 1 ATOM 142 C C . SER A 1 23 ? -1.903 16.400 -2.005 1.00 82.29 23 A 1 ATOM 143 O O . SER A 1 23 ? -1.222 17.401 -1.787 1.00 76.89 23 A 1 ATOM 144 C CB . SER A 1 23 ? -2.333 13.923 -1.883 1.00 80.70 23 A 1 ATOM 145 O OG . SER A 1 23 ? -1.739 12.645 -1.852 1.00 74.35 23 A 1 ATOM 146 N N . CYS A 1 24 ? -3.201 16.467 -2.220 1.00 86.41 24 A 1 ATOM 147 C CA . CYS A 1 24 ? -3.926 17.737 -2.259 1.00 82.46 24 A 1 ATOM 148 C C . CYS A 1 24 ? -4.090 18.295 -0.855 1.00 78.32 24 A 1 ATOM 149 O O . CYS A 1 24 ? -5.125 18.058 -0.219 1.00 71.67 24 A 1 ATOM 150 C CB . CYS A 1 24 ? -5.293 17.547 -2.902 1.00 74.55 24 A 1 ATOM 151 S SG . CYS A 1 24 ? -5.254 16.535 -4.395 1.00 67.16 24 A 1 ATOM 152 O OXT . CYS A 1 24 ? -3.147 18.966 -0.366 1.00 64.25 24 A 1 #