# 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_spkb25200 # _entry.id spkb25200 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 ASN 2 1 n TYR 3 1 n PHE 4 1 n VAL 5 1 n LEU 6 1 n ILE 7 1 n ALA 8 1 n VAL 9 1 n ALA 10 1 n CYS 11 1 n LEU 12 1 n LEU 13 1 n THR 14 1 n ALA 15 1 n GLY 16 1 n THR 17 1 n GLU 18 1 n SER 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 @ 2025-07-10 19:33:07)" _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 90.94 _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 85.00 1 1 A ASN 2 2 91.32 1 2 A TYR 3 2 93.56 1 3 A PHE 4 2 94.52 1 4 A VAL 5 2 96.72 1 5 A LEU 6 2 93.90 1 6 A ILE 7 2 96.08 1 7 A ALA 8 2 97.33 1 8 A VAL 9 2 96.38 1 9 A ALA 10 2 97.19 1 10 A CYS 11 2 95.29 1 11 A LEU 12 2 92.00 1 12 A LEU 13 2 92.48 1 13 A THR 14 2 92.49 1 14 A ALA 15 2 94.43 1 15 A GLY 16 2 90.37 1 16 A THR 17 2 84.56 1 17 A GLU 18 2 74.75 1 18 A SER 19 2 74.51 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 ASN . 2 A 2 A 3 1 n TYR . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n CYS . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n GLU . 18 A 18 A 19 1 n SER . 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 ? -12.592 5.473 8.156 1.00 92.95 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.580 4.045 8.533 1.00 94.21 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.755 3.253 7.531 1.00 94.54 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.660 3.635 6.374 1.00 90.41 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.009 3.509 8.560 1.00 88.35 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.767 4.007 9.780 1.00 79.25 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.541 3.866 9.571 1.00 74.26 1 A 1 ATOM 8 C CE . MET A 1 1 ? -17.101 4.998 10.842 1.00 66.05 1 A 1 ATOM 9 N N . ASN A 1 2 ? -11.173 2.169 7.998 1.00 94.49 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -10.360 1.333 7.115 1.00 96.18 2 A 1 ATOM 11 C C . ASN A 1 2 ? -9.194 2.120 6.531 1.00 96.82 2 A 1 ATOM 12 O O . ASN A 1 2 ? -8.670 1.789 5.470 1.00 96.01 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -11.226 0.769 5.987 1.00 93.91 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -12.364 -0.079 6.520 1.00 88.23 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -12.807 0.092 7.642 1.00 83.60 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -12.858 -0.996 5.707 1.00 81.33 2 A 1 ATOM 17 N N . TYR A 1 3 ? -8.801 3.159 7.231 1.00 97.61 3 A 1 ATOM 18 C CA . TYR A 1 3 ? -7.699 4.001 6.767 1.00 97.78 3 A 1 ATOM 19 C C . TYR A 1 3 ? -6.367 3.270 6.908 1.00 97.99 3 A 1 ATOM 20 O O . TYR A 1 3 ? -5.419 3.522 6.171 1.00 97.65 3 A 1 ATOM 21 C CB . TYR A 1 3 ? -7.666 5.298 7.575 1.00 97.33 3 A 1 ATOM 22 C CG . TYR A 1 3 ? -7.696 6.522 6.688 1.00 94.26 3 A 1 ATOM 23 C CD1 . TYR A 1 3 ? -6.637 6.802 5.836 1.00 91.13 3 A 1 ATOM 24 C CD2 . TYR A 1 3 ? -8.788 7.386 6.714 1.00 90.64 3 A 1 ATOM 25 C CE1 . TYR A 1 3 ? -6.665 7.924 5.018 1.00 89.69 3 A 1 ATOM 26 C CE2 . TYR A 1 3 ? -8.821 8.513 5.902 1.00 89.96 3 A 1 ATOM 27 C CZ . TYR A 1 3 ? -7.757 8.777 5.057 1.00 89.83 3 A 1 ATOM 28 O OH . TYR A 1 3 ? -7.777 9.885 4.257 1.00 88.88 3 A 1 ATOM 29 N N . PHE A 1 4 ? -6.326 2.349 7.859 1.00 97.68 4 A 1 ATOM 30 C CA . PHE A 1 4 ? -5.110 1.577 8.102 1.00 97.76 4 A 1 ATOM 31 C C . PHE A 1 4 ? -4.684 0.829 6.844 1.00 98.02 4 A 1 ATOM 32 O O . PHE A 1 4 ? -3.508 0.809 6.485 1.00 97.67 4 A 1 ATOM 33 C CB . PHE A 1 4 ? -5.353 0.586 9.236 1.00 97.33 4 A 1 ATOM 34 C CG . PHE A 1 4 ? -4.144 0.410 10.116 1.00 95.39 4 A 1 ATOM 35 C CD1 . PHE A 1 4 ? -2.956 -0.079 9.598 1.00 92.00 4 A 1 ATOM 36 C CD2 . PHE A 1 4 ? -4.211 0.739 11.466 1.00 91.95 4 A 1 ATOM 37 C CE1 . PHE A 1 4 ? -1.841 -0.235 10.407 1.00 90.48 4 A 1 ATOM 38 C CE2 . PHE A 1 4 ? -3.100 0.577 12.280 1.00 90.76 4 A 1 ATOM 39 C CZ . PHE A 1 4 ? -1.914 0.091 11.750 1.00 90.65 4 A 1 ATOM 40 N N . VAL A 1 5 ? -5.656 0.237 6.167 1.00 97.68 5 A 1 ATOM 41 C CA . VAL A 1 5 ? -5.385 -0.507 4.936 1.00 97.76 5 A 1 ATOM 42 C C . VAL A 1 5 ? -4.896 0.433 3.841 1.00 97.95 5 A 1 ATOM 43 O O . VAL A 1 5 ? -3.936 0.128 3.132 1.00 97.59 5 A 1 ATOM 44 C CB . VAL A 1 5 ? -6.637 -1.251 4.457 1.00 97.27 5 A 1 ATOM 45 C CG1 . VAL A 1 5 ? -6.325 -2.085 3.223 1.00 94.62 5 A 1 ATOM 46 C CG2 . VAL A 1 5 ? -7.189 -2.134 5.563 1.00 94.15 5 A 1 ATOM 47 N N . LEU A 1 6 ? -5.558 1.560 3.711 1.00 97.56 6 A 1 ATOM 48 C CA . LEU A 1 6 ? -5.190 2.548 2.701 1.00 97.45 6 A 1 ATOM 49 C C . LEU A 1 6 ? -3.773 3.066 2.930 1.00 97.64 6 A 1 ATOM 50 O O . LEU A 1 6 ? -2.988 3.201 1.996 1.00 97.49 6 A 1 ATOM 51 C CB . LEU A 1 6 ? -6.181 3.711 2.723 1.00 96.92 6 A 1 ATOM 52 C CG . LEU A 1 6 ? -7.030 3.818 1.460 1.00 89.17 6 A 1 ATOM 53 C CD1 . LEU A 1 6 ? -7.976 2.637 1.353 1.00 87.63 6 A 1 ATOM 54 C CD2 . LEU A 1 6 ? -7.800 5.126 1.460 1.00 87.33 6 A 1 ATOM 55 N N . ILE A 1 7 ? -3.474 3.353 4.177 1.00 97.61 7 A 1 ATOM 56 C CA . ILE A 1 7 ? -2.153 3.863 4.534 1.00 97.66 7 A 1 ATOM 57 C C . ILE A 1 7 ? -1.077 2.819 4.249 1.00 97.88 7 A 1 ATOM 58 O O . ILE A 1 7 ? -0.013 3.134 3.715 1.00 97.66 7 A 1 ATOM 59 C CB . ILE A 1 7 ? -2.119 4.266 6.015 1.00 97.36 7 A 1 ATOM 60 C CG1 . ILE A 1 7 ? -3.079 5.429 6.272 1.00 95.71 7 A 1 ATOM 61 C CG2 . ILE A 1 7 ? -0.700 4.668 6.421 1.00 95.12 7 A 1 ATOM 62 C CD1 . ILE A 1 7 ? -3.385 5.619 7.744 1.00 89.61 7 A 1 ATOM 63 N N . ALA A 1 8 ? -1.375 1.583 4.601 1.00 97.43 8 A 1 ATOM 64 C CA . ALA A 1 8 ? -0.425 0.497 4.387 1.00 97.45 8 A 1 ATOM 65 C C . ALA A 1 8 ? -0.156 0.288 2.900 1.00 97.63 8 A 1 ATOM 66 O O . ALA A 1 8 ? 0.993 0.149 2.482 1.00 97.03 8 A 1 ATOM 67 C CB . ALA A 1 8 ? -0.964 -0.787 5.006 1.00 97.10 8 A 1 ATOM 68 N N . VAL A 1 9 ? -1.219 0.275 2.111 1.00 97.06 9 A 1 ATOM 69 C CA . VAL A 1 9 ? -1.098 0.086 0.664 1.00 97.17 9 A 1 ATOM 70 C C . VAL A 1 9 ? -0.331 1.241 0.034 1.00 97.50 9 A 1 ATOM 71 O O . VAL A 1 9 ? 0.541 1.035 -0.813 1.00 97.08 9 A 1 ATOM 72 C CB . VAL A 1 9 ? -2.482 -0.034 0.010 1.00 96.58 9 A 1 ATOM 73 C CG1 . VAL A 1 9 ? -2.359 -0.107 -1.508 1.00 94.47 9 A 1 ATOM 74 C CG2 . VAL A 1 9 ? -3.209 -1.261 0.529 1.00 94.79 9 A 1 ATOM 75 N N . ALA A 1 10 ? -0.665 2.446 0.444 1.00 97.39 10 A 1 ATOM 76 C CA . ALA A 1 10 ? -0.007 3.638 -0.086 1.00 97.38 10 A 1 ATOM 77 C C . ALA A 1 10 ? 1.481 3.623 0.239 1.00 97.48 10 A 1 ATOM 78 O O . ALA A 1 10 ? 2.313 3.954 -0.602 1.00 96.76 10 A 1 ATOM 79 C CB . ALA A 1 10 ? -0.656 4.889 0.489 1.00 96.94 10 A 1 ATOM 80 N N . CYS A 1 11 ? 1.804 3.237 1.452 1.00 96.99 11 A 1 ATOM 81 C CA . CYS A 1 11 ? 3.194 3.172 1.889 1.00 96.88 11 A 1 ATOM 82 C C . CYS A 1 11 ? 3.964 2.130 1.089 1.00 96.95 11 A 1 ATOM 83 O O . CYS A 1 11 ? 5.102 2.357 0.688 1.00 95.60 11 A 1 ATOM 84 C CB . CYS A 1 11 ? 3.254 2.841 3.377 1.00 96.12 11 A 1 ATOM 85 S SG . CYS A 1 11 ? 4.920 3.016 4.036 1.00 89.21 11 A 1 ATOM 86 N N . LEU A 1 12 ? 3.332 0.994 0.859 1.00 95.94 12 A 1 ATOM 87 C CA . LEU A 1 12 ? 3.959 -0.083 0.097 1.00 95.89 12 A 1 ATOM 88 C C . LEU A 1 12 ? 4.208 0.340 -1.346 1.00 96.39 12 A 1 ATOM 89 O O . LEU A 1 12 ? 5.265 0.063 -1.910 1.00 95.81 12 A 1 ATOM 90 C CB . LEU A 1 12 ? 3.068 -1.324 0.124 1.00 94.98 12 A 1 ATOM 91 C CG . LEU A 1 12 ? 3.747 -2.579 -0.408 1.00 87.45 12 A 1 ATOM 92 C CD1 . LEU A 1 12 ? 4.695 -3.145 0.638 1.00 84.86 12 A 1 ATOM 93 C CD2 . LEU A 1 12 ? 2.709 -3.622 -0.793 1.00 84.72 12 A 1 ATOM 94 N N . LEU A 1 13 ? 3.230 1.008 -1.932 1.00 96.42 13 A 1 ATOM 95 C CA . LEU A 1 13 ? 3.343 1.472 -3.314 1.00 96.02 13 A 1 ATOM 96 C C . LEU A 1 13 ? 4.429 2.524 -3.457 1.00 96.14 13 A 1 ATOM 97 O O . LEU A 1 13 ? 5.207 2.508 -4.413 1.00 95.38 13 A 1 ATOM 98 C CB . LEU A 1 13 ? 1.996 2.039 -3.771 1.00 95.03 13 A 1 ATOM 99 C CG . LEU A 1 13 ? 1.296 1.178 -4.817 1.00 88.96 13 A 1 ATOM 100 C CD1 . LEU A 1 13 ? -0.197 1.450 -4.824 1.00 86.03 13 A 1 ATOM 101 C CD2 . LEU A 1 13 ? 1.888 1.436 -6.189 1.00 85.89 13 A 1 ATOM 102 N N . THR A 1 14 ? 4.475 3.429 -2.508 1.00 96.33 14 A 1 ATOM 103 C CA . THR A 1 14 ? 5.466 4.501 -2.529 1.00 95.94 14 A 1 ATOM 104 C C . THR A 1 14 ? 6.809 4.033 -1.987 1.00 95.72 14 A 1 ATOM 105 O O . THR A 1 14 ? 7.781 4.789 -2.005 1.00 93.66 14 A 1 ATOM 106 C CB . THR A 1 14 ? 4.978 5.692 -1.703 1.00 94.35 14 A 1 ATOM 107 O OG1 . THR A 1 14 ? 4.669 5.278 -0.389 1.00 86.25 14 A 1 ATOM 108 C CG2 . THR A 1 14 ? 3.757 6.323 -2.341 1.00 85.16 14 A 1 ATOM 109 N N . ALA A 1 15 ? 6.853 2.803 -1.521 1.00 96.05 15 A 1 ATOM 110 C CA . ALA A 1 15 ? 8.086 2.253 -0.962 1.00 95.42 15 A 1 ATOM 111 C C . ALA A 1 15 ? 9.245 2.446 -1.926 1.00 95.25 15 A 1 ATOM 112 O O . ALA A 1 15 ? 10.304 2.940 -1.549 1.00 91.90 15 A 1 ATOM 113 C CB . ALA A 1 15 ? 7.898 0.778 -0.647 1.00 93.54 15 A 1 ATOM 114 N N . GLY A 1 16 ? 9.038 2.070 -3.182 1.00 92.50 16 A 1 ATOM 115 C CA . GLY A 1 16 ? 10.066 2.231 -4.200 1.00 90.67 16 A 1 ATOM 116 C C . GLY A 1 16 ? 11.371 1.586 -3.778 1.00 90.81 16 A 1 ATOM 117 O O . GLY A 1 16 ? 12.110 2.134 -2.968 1.00 87.49 16 A 1 ATOM 118 N N . THR A 1 17 ? 11.646 0.420 -4.338 1.00 91.20 17 A 1 ATOM 119 C CA . THR A 1 17 ? 12.886 -0.283 -4.014 1.00 90.41 17 A 1 ATOM 120 C C . THR A 1 17 ? 14.052 0.340 -4.768 1.00 89.68 17 A 1 ATOM 121 O O . THR A 1 17 ? 14.400 -0.089 -5.866 1.00 85.17 17 A 1 ATOM 122 C CB . THR A 1 17 ? 12.767 -1.758 -4.384 1.00 86.78 17 A 1 ATOM 123 O OG1 . THR A 1 17 ? 12.324 -1.881 -5.730 1.00 76.03 17 A 1 ATOM 124 C CG2 . THR A 1 17 ? 11.793 -2.459 -3.465 1.00 72.68 17 A 1 ATOM 125 N N . GLU A 1 18 ? 14.631 1.349 -4.185 1.00 88.52 18 A 1 ATOM 126 C CA . GLU A 1 18 ? 15.760 2.052 -4.795 1.00 87.64 18 A 1 ATOM 127 C C . GLU A 1 18 ? 15.394 2.643 -6.149 1.00 85.57 18 A 1 ATOM 128 O O . GLU A 1 18 ? 14.592 2.089 -6.885 1.00 77.29 18 A 1 ATOM 129 C CB . GLU A 1 18 ? 16.942 1.099 -4.950 1.00 81.88 18 A 1 ATOM 130 C CG . GLU A 1 18 ? 18.144 1.500 -4.125 1.00 70.51 18 A 1 ATOM 131 C CD . GLU A 1 18 ? 18.241 0.699 -2.838 1.00 63.86 18 A 1 ATOM 132 O OE1 . GLU A 1 18 ? 17.231 0.567 -2.134 1.00 57.63 18 A 1 ATOM 133 O OE2 . GLU A 1 18 ? 19.340 0.202 -2.551 1.00 59.88 18 A 1 ATOM 134 N N . SER A 1 19 ? 15.983 3.771 -6.463 1.00 84.80 19 A 1 ATOM 135 C CA . SER A 1 19 ? 15.700 4.429 -7.744 1.00 82.39 19 A 1 ATOM 136 C C . SER A 1 19 ? 16.639 3.924 -8.834 1.00 78.67 19 A 1 ATOM 137 O O . SER A 1 19 ? 17.702 4.498 -9.043 1.00 71.04 19 A 1 ATOM 138 C CB . SER A 1 19 ? 15.846 5.933 -7.610 1.00 74.87 19 A 1 ATOM 139 O OG . SER A 1 19 ? 14.873 6.444 -6.737 1.00 65.71 19 A 1 ATOM 140 O OXT . SER A 1 19 ? 16.290 2.941 -9.475 1.00 64.07 19 A 1 #