# 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_spkb17052 # _entry.id spkb17052 # 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 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" "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 HIS 2 1 n PHE 3 1 n ASN 4 1 n THR 5 1 n LEU 6 1 n THR 7 1 n CYS 8 1 n VAL 9 1 n LEU 10 1 n VAL 11 1 n GLY 12 1 n LEU 13 1 n VAL 14 1 n ALA 15 1 n HIS 16 1 n THR 17 1 n SER 18 1 n ALA 19 # _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 @ 2025-07-07 13:10:02)" _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 90.67 _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 80.50 1 1 A HIS 2 2 78.11 1 2 A PHE 3 2 85.76 1 3 A ASN 4 2 90.68 1 4 A THR 5 2 94.14 1 5 A LEU 6 2 93.08 1 6 A THR 7 2 94.24 1 7 A CYS 8 2 95.31 1 8 A VAL 9 2 95.50 1 9 A LEU 10 2 93.42 1 10 A VAL 11 2 95.30 1 11 A GLY 12 2 96.08 1 12 A LEU 13 2 93.73 1 13 A VAL 14 2 95.18 1 14 A ALA 15 2 96.50 1 15 A HIS 16 2 89.08 1 16 A THR 17 2 93.10 1 17 A SER 18 2 90.19 1 18 A ALA 19 2 85.80 1 19 # _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 HIS . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n ASN . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n HIS . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ALA . 19 A 19 # _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 ? -12.356 -2.942 5.682 1.00 85.71 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.556 -2.083 4.788 1.00 88.17 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.130 -2.621 4.640 1.00 89.08 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.180 -2.072 5.204 1.00 86.76 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.495 -0.662 5.338 1.00 82.59 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.861 -0.014 5.470 1.00 77.05 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.646 0.232 3.879 1.00 71.68 1 A 1 ATOM 8 C CE . MET A 1 1 ? -15.117 1.105 4.382 1.00 63.00 1 A 1 ATOM 9 N N . HIS A 1 2 ? -9.999 -3.700 3.880 1.00 87.80 2 A 1 ATOM 10 C CA . HIS A 1 2 ? -8.693 -4.333 3.685 1.00 88.90 2 A 1 ATOM 11 C C . HIS A 1 2 ? -7.790 -3.472 2.806 1.00 90.00 2 A 1 ATOM 12 O O . HIS A 1 2 ? -6.604 -3.307 3.087 1.00 87.54 2 A 1 ATOM 13 C CB . HIS A 1 2 ? -8.875 -5.718 3.058 1.00 84.87 2 A 1 ATOM 14 C CG . HIS A 1 2 ? -7.643 -6.566 3.147 1.00 77.10 2 A 1 ATOM 15 N ND1 . HIS A 1 2 ? -7.221 -7.170 4.306 1.00 67.85 2 A 1 ATOM 16 C CD2 . HIS A 1 2 ? -6.749 -6.902 2.188 1.00 66.43 2 A 1 ATOM 17 C CE1 . HIS A 1 2 ? -6.106 -7.839 4.041 1.00 64.54 2 A 1 ATOM 18 N NE2 . HIS A 1 2 ? -5.796 -7.698 2.770 1.00 66.11 2 A 1 ATOM 19 N N . PHE A 1 3 ? -8.367 -2.905 1.739 1.00 90.36 3 A 1 ATOM 20 C CA . PHE A 1 3 ? -7.616 -2.050 0.824 1.00 91.34 3 A 1 ATOM 21 C C . PHE A 1 3 ? -7.154 -0.764 1.497 1.00 93.13 3 A 1 ATOM 22 O O . PHE A 1 3 ? -6.095 -0.228 1.166 1.00 92.26 3 A 1 ATOM 23 C CB . PHE A 1 3 ? -8.469 -1.718 -0.398 1.00 89.63 3 A 1 ATOM 24 C CG . PHE A 1 3 ? -8.424 -2.793 -1.452 1.00 85.90 3 A 1 ATOM 25 C CD1 . PHE A 1 3 ? -7.305 -2.926 -2.261 1.00 82.65 3 A 1 ATOM 26 C CD2 . PHE A 1 3 ? -9.489 -3.657 -1.634 1.00 81.03 3 A 1 ATOM 27 C CE1 . PHE A 1 3 ? -7.246 -3.906 -3.232 1.00 80.05 3 A 1 ATOM 28 C CE2 . PHE A 1 3 ? -9.439 -4.645 -2.603 1.00 79.19 3 A 1 ATOM 29 C CZ . PHE A 1 3 ? -8.314 -4.768 -3.404 1.00 77.84 3 A 1 ATOM 30 N N . ASN A 1 4 ? -7.939 -0.264 2.445 1.00 92.97 4 A 1 ATOM 31 C CA . ASN A 1 4 ? -7.589 0.956 3.171 1.00 94.21 4 A 1 ATOM 32 C C . ASN A 1 4 ? -6.285 0.765 3.944 1.00 95.22 4 A 1 ATOM 33 O O . ASN A 1 4 ? -5.393 1.613 3.904 1.00 94.93 4 A 1 ATOM 34 C CB . ASN A 1 4 ? -8.722 1.343 4.126 1.00 92.67 4 A 1 ATOM 35 C CG . ASN A 1 4 ? -8.635 2.798 4.532 1.00 88.99 4 A 1 ATOM 36 O OD1 . ASN A 1 4 ? -7.589 3.299 4.903 1.00 84.90 4 A 1 ATOM 37 N ND2 . ASN A 1 4 ? -9.756 3.505 4.472 1.00 81.53 4 A 1 ATOM 38 N N . THR A 1 5 ? -6.169 -0.365 4.615 1.00 95.36 5 A 1 ATOM 39 C CA . THR A 1 5 ? -4.963 -0.694 5.372 1.00 95.98 5 A 1 ATOM 40 C C . THR A 1 5 ? -3.776 -0.876 4.431 1.00 96.56 5 A 1 ATOM 41 O O . THR A 1 5 ? -2.678 -0.380 4.696 1.00 96.07 5 A 1 ATOM 42 C CB . THR A 1 5 ? -5.164 -1.980 6.184 1.00 95.63 5 A 1 ATOM 43 O OG1 . THR A 1 5 ? -6.343 -1.860 6.980 1.00 90.28 5 A 1 ATOM 44 C CG2 . THR A 1 5 ? -3.975 -2.241 7.087 1.00 89.08 5 A 1 ATOM 45 N N . LEU A 1 6 ? -4.009 -1.574 3.328 1.00 95.29 6 A 1 ATOM 46 C CA . LEU A 1 6 ? -2.966 -1.807 2.333 1.00 95.74 6 A 1 ATOM 47 C C . LEU A 1 6 ? -2.505 -0.492 1.712 1.00 96.38 6 A 1 ATOM 48 O O . LEU A 1 6 ? -1.314 -0.289 1.476 1.00 96.20 6 A 1 ATOM 49 C CB . LEU A 1 6 ? -3.485 -2.752 1.245 1.00 95.52 6 A 1 ATOM 50 C CG . LEU A 1 6 ? -2.393 -3.334 0.351 1.00 90.19 6 A 1 ATOM 51 C CD1 . LEU A 1 6 ? -1.520 -4.313 1.127 1.00 87.93 6 A 1 ATOM 52 C CD2 . LEU A 1 6 ? -3.022 -4.030 -0.848 1.00 87.40 6 A 1 ATOM 53 N N . THR A 1 7 ? -3.446 0.400 1.465 1.00 95.81 7 A 1 ATOM 54 C CA . THR A 1 7 ? -3.148 1.711 0.889 1.00 96.00 7 A 1 ATOM 55 C C . THR A 1 7 ? -2.242 2.511 1.821 1.00 96.63 7 A 1 ATOM 56 O O . THR A 1 7 ? -1.295 3.157 1.372 1.00 96.24 7 A 1 ATOM 57 C CB . THR A 1 7 ? -4.443 2.496 0.627 1.00 95.13 7 A 1 ATOM 58 O OG1 . THR A 1 7 ? -5.273 1.769 -0.274 1.00 90.48 7 A 1 ATOM 59 C CG2 . THR A 1 7 ? -4.141 3.855 0.003 1.00 89.37 7 A 1 ATOM 60 N N . CYS A 1 8 ? -2.518 2.451 3.106 1.00 95.78 8 A 1 ATOM 61 C CA . CYS A 1 8 ? -1.716 3.162 4.098 1.00 96.29 8 A 1 ATOM 62 C C . CYS A 1 8 ? -0.264 2.680 4.073 1.00 96.81 8 A 1 ATOM 63 O O . CYS A 1 8 ? 0.669 3.478 4.127 1.00 96.24 8 A 1 ATOM 64 C CB . CYS A 1 8 ? -2.314 2.960 5.492 1.00 95.66 8 A 1 ATOM 65 S SG . CYS A 1 8 ? -1.502 3.987 6.727 1.00 91.07 8 A 1 ATOM 66 N N . VAL A 1 9 ? -0.092 1.368 3.968 1.00 95.59 9 A 1 ATOM 67 C CA . VAL A 1 9 ? 1.244 0.771 3.910 1.00 96.25 9 A 1 ATOM 68 C C . VAL A 1 9 ? 1.948 1.149 2.610 1.00 96.96 9 A 1 ATOM 69 O O . VAL A 1 9 ? 3.130 1.502 2.614 1.00 96.69 9 A 1 ATOM 70 C CB . VAL A 1 9 ? 1.166 -0.762 4.040 1.00 95.89 9 A 1 ATOM 71 C CG1 . VAL A 1 9 ? 2.553 -1.391 3.912 1.00 93.87 9 A 1 ATOM 72 C CG2 . VAL A 1 9 ? 0.539 -1.154 5.372 1.00 93.22 9 A 1 ATOM 73 N N . LEU A 1 10 ? 1.212 1.076 1.507 1.00 95.50 10 A 1 ATOM 74 C CA . LEU A 1 10 ? 1.761 1.404 0.192 1.00 95.63 10 A 1 ATOM 75 C C . LEU A 1 10 ? 2.207 2.861 0.124 1.00 96.25 10 A 1 ATOM 76 O O . LEU A 1 10 ? 3.315 3.162 -0.314 1.00 96.45 10 A 1 ATOM 77 C CB . LEU A 1 10 ? 0.721 1.114 -0.903 1.00 95.29 10 A 1 ATOM 78 C CG . LEU A 1 10 ? 0.989 -0.139 -1.744 1.00 90.21 10 A 1 ATOM 79 C CD1 . LEU A 1 10 ? 2.255 0.010 -2.556 1.00 88.82 10 A 1 ATOM 80 C CD2 . LEU A 1 10 ? 1.067 -1.370 -0.848 1.00 89.19 10 A 1 ATOM 81 N N . VAL A 1 11 ? 1.337 3.762 0.557 1.00 96.36 11 A 1 ATOM 82 C CA . VAL A 1 11 ? 1.638 5.192 0.548 1.00 96.28 11 A 1 ATOM 83 C C . VAL A 1 11 ? 2.837 5.497 1.442 1.00 96.75 11 A 1 ATOM 84 O O . VAL A 1 11 ? 3.716 6.278 1.073 1.00 96.19 11 A 1 ATOM 85 C CB . VAL A 1 11 ? 0.412 6.009 0.995 1.00 95.42 11 A 1 ATOM 86 C CG1 . VAL A 1 11 ? 0.768 7.482 1.155 1.00 92.87 11 A 1 ATOM 87 C CG2 . VAL A 1 11 ? -0.721 5.857 -0.012 1.00 93.22 11 A 1 ATOM 88 N N . GLY A 1 12 ? 2.866 4.870 2.600 1.00 95.82 12 A 1 ATOM 89 C CA . GLY A 1 12 ? 3.971 5.066 3.529 1.00 95.92 12 A 1 ATOM 90 C C . GLY A 1 12 ? 5.295 4.605 2.948 1.00 96.58 12 A 1 ATOM 91 O O . GLY A 1 12 ? 6.313 5.290 3.074 1.00 96.02 12 A 1 ATOM 92 N N . LEU A 1 13 ? 5.279 3.452 2.293 1.00 96.46 13 A 1 ATOM 93 C CA . LEU A 1 13 ? 6.476 2.891 1.670 1.00 96.45 13 A 1 ATOM 94 C C . LEU A 1 13 ? 6.969 3.776 0.528 1.00 96.86 13 A 1 ATOM 95 O O . LEU A 1 13 ? 8.161 4.075 0.436 1.00 96.34 13 A 1 ATOM 96 C CB . LEU A 1 13 ? 6.177 1.479 1.150 1.00 95.97 13 A 1 ATOM 97 C CG . LEU A 1 13 ? 7.397 0.722 0.617 1.00 90.20 13 A 1 ATOM 98 C CD1 . LEU A 1 13 ? 8.341 0.355 1.751 1.00 88.79 13 A 1 ATOM 99 C CD2 . LEU A 1 13 ? 6.962 -0.529 -0.130 1.00 88.80 13 A 1 ATOM 100 N N . VAL A 1 14 ? 6.053 4.195 -0.331 1.00 96.75 14 A 1 ATOM 101 C CA . VAL A 1 14 ? 6.392 5.051 -1.470 1.00 96.37 14 A 1 ATOM 102 C C . VAL A 1 14 ? 6.921 6.401 -0.994 1.00 96.48 14 A 1 ATOM 103 O O . VAL A 1 14 ? 7.910 6.913 -1.524 1.00 95.92 14 A 1 ATOM 104 C CB . VAL A 1 14 ? 5.170 5.250 -2.387 1.00 95.37 14 A 1 ATOM 105 C CG1 . VAL A 1 14 ? 5.479 6.258 -3.486 1.00 92.35 14 A 1 ATOM 106 C CG2 . VAL A 1 14 ? 4.754 3.924 -3.007 1.00 92.99 14 A 1 ATOM 107 N N . ALA A 1 15 ? 6.268 6.968 0.001 1.00 97.02 15 A 1 ATOM 108 C CA . ALA A 1 15 ? 6.674 8.259 0.551 1.00 96.88 15 A 1 ATOM 109 C C . ALA A 1 15 ? 8.076 8.183 1.150 1.00 96.86 15 A 1 ATOM 110 O O . ALA A 1 15 ? 8.887 9.088 0.969 1.00 95.72 15 A 1 ATOM 111 C CB . ALA A 1 15 ? 5.676 8.716 1.607 1.00 96.04 15 A 1 ATOM 112 N N . HIS A 1 16 ? 8.354 7.097 1.842 1.00 95.93 16 A 1 ATOM 113 C CA . HIS A 1 16 ? 9.671 6.898 2.448 1.00 95.63 16 A 1 ATOM 114 C C . HIS A 1 16 ? 10.747 6.722 1.383 1.00 96.00 16 A 1 ATOM 115 O O . HIS A 1 16 ? 11.853 7.251 1.507 1.00 94.48 16 A 1 ATOM 116 C CB . HIS A 1 16 ? 9.643 5.675 3.369 1.00 94.23 16 A 1 ATOM 117 C CG . HIS A 1 16 ? 10.973 5.367 3.994 1.00 89.04 16 A 1 ATOM 118 N ND1 . HIS A 1 16 ? 11.586 6.189 4.901 1.00 80.24 16 A 1 ATOM 119 C CD2 . HIS A 1 16 ? 11.797 4.310 3.810 1.00 81.02 16 A 1 ATOM 120 C CE1 . HIS A 1 16 ? 12.744 5.643 5.254 1.00 81.18 16 A 1 ATOM 121 N NE2 . HIS A 1 16 ? 12.904 4.502 4.615 1.00 83.04 16 A 1 ATOM 122 N N . THR A 1 17 ? 10.417 5.973 0.337 1.00 96.38 17 A 1 ATOM 123 C CA . THR A 1 17 ? 11.360 5.715 -0.750 1.00 95.81 17 A 1 ATOM 124 C C . THR A 1 17 ? 11.594 6.960 -1.607 1.00 95.37 17 A 1 ATOM 125 O O . THR A 1 17 ? 12.651 7.104 -2.227 1.00 93.24 17 A 1 ATOM 126 C CB . THR A 1 17 ? 10.852 4.572 -1.641 1.00 94.26 17 A 1 ATOM 127 O OG1 . THR A 1 17 ? 10.497 3.456 -0.826 1.00 89.07 17 A 1 ATOM 128 C CG2 . THR A 1 17 ? 11.919 4.121 -2.625 1.00 87.60 17 A 1 ATOM 129 N N . SER A 1 18 ? 10.610 7.851 -1.636 1.00 94.32 18 A 1 ATOM 130 C CA . SER A 1 18 ? 10.685 9.071 -2.441 1.00 93.48 18 A 1 ATOM 131 C C . SER A 1 18 ? 10.922 10.312 -1.580 1.00 92.68 18 A 1 ATOM 132 O O . SER A 1 18 ? 10.501 11.415 -1.927 1.00 89.60 18 A 1 ATOM 133 C CB . SER A 1 18 ? 9.406 9.239 -3.260 1.00 90.97 18 A 1 ATOM 134 O OG . SER A 1 18 ? 9.197 8.117 -4.090 1.00 80.07 18 A 1 ATOM 135 N N . ALA A 1 19 ? 11.598 10.139 -0.473 1.00 92.33 19 A 1 ATOM 136 C CA . ALA A 1 19 ? 11.860 11.242 0.439 1.00 90.18 19 A 1 ATOM 137 C C . ALA A 1 19 ? 13.339 11.337 0.780 1.00 87.49 19 A 1 ATOM 138 O O . ALA A 1 19 ? 14.085 10.365 0.565 1.00 83.23 19 A 1 ATOM 139 C CB . ALA A 1 19 ? 11.030 11.080 1.706 1.00 85.32 19 A 1 ATOM 140 O OXT . ALA A 1 19 ? 13.757 12.403 1.279 1.00 76.26 19 A 1 #