# 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_830 # _entry.id 830 # 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" "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 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 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" "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 HIS 3 1 n LEU 4 1 n VAL 5 1 n MET 6 1 n ILE 7 1 n SER 8 1 n LEU 9 1 n ALA 10 1 n LEU 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n LEU 15 1 n GLY 16 1 n VAL 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 @ 2025-05-28 09:02:20)" _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 91.32 _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 78.74 1 1 A ASN 2 2 89.86 1 2 A HIS 3 2 88.66 1 3 A LEU 4 2 91.87 1 4 A VAL 5 2 95.69 1 5 A MET 6 2 90.14 1 6 A ILE 7 2 94.64 1 7 A SER 8 2 94.51 1 8 A LEU 9 2 93.60 1 9 A ALA 10 2 97.16 1 10 A LEU 11 2 94.04 1 11 A LEU 12 2 94.43 1 12 A LEU 13 2 94.66 1 13 A LEU 14 2 94.59 1 14 A LEU 15 2 94.66 1 15 A GLY 16 2 95.58 1 16 A VAL 17 2 92.36 1 17 A GLU 18 2 83.56 1 18 A SER 19 2 82.69 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 HIS . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n MET . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n VAL . 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 ? -14.493 -2.540 -3.979 1.00 83.72 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.299 -2.964 -2.569 1.00 88.23 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.475 -1.932 -1.805 1.00 89.53 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.285 -1.751 -2.079 1.00 85.31 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.603 -4.328 -2.500 1.00 80.75 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.326 -4.814 -1.082 1.00 73.78 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.796 -4.987 -0.065 1.00 68.36 1 A 1 ATOM 8 C CE . MET A 1 1 ? -15.477 -6.497 -0.737 1.00 60.21 1 A 1 ATOM 9 N N . ASN A 1 2 ? -14.119 -1.272 -0.848 1.00 92.02 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -13.460 -0.225 -0.058 1.00 94.37 2 A 1 ATOM 11 C C . ASN A 1 2 ? -12.298 -0.772 0.770 1.00 94.99 2 A 1 ATOM 12 O O . ASN A 1 2 ? -11.257 -0.126 0.907 1.00 92.91 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -14.484 0.449 0.857 1.00 91.62 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -13.884 1.621 1.603 1.00 87.27 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -13.602 2.658 1.020 1.00 84.63 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -13.691 1.463 2.899 1.00 81.07 2 A 1 ATOM 17 N N . HIS A 1 3 ? -12.472 -1.992 1.318 1.00 95.90 3 A 1 ATOM 18 C CA . HIS A 1 3 ? -11.437 -2.621 2.139 1.00 96.90 3 A 1 ATOM 19 C C . HIS A 1 3 ? -10.184 -2.917 1.315 1.00 97.51 3 A 1 ATOM 20 O O . HIS A 1 3 ? -9.063 -2.672 1.761 1.00 96.55 3 A 1 ATOM 21 C CB . HIS A 1 3 ? -11.975 -3.906 2.774 1.00 95.63 3 A 1 ATOM 22 C CG . HIS A 1 3 ? -11.110 -4.432 3.878 1.00 89.73 3 A 1 ATOM 23 N ND1 . HIS A 1 3 ? -11.042 -5.765 4.217 1.00 78.11 3 A 1 ATOM 24 C CD2 . HIS A 1 3 ? -10.292 -3.777 4.734 1.00 76.99 3 A 1 ATOM 25 C CE1 . HIS A 1 3 ? -10.214 -5.900 5.241 1.00 79.05 3 A 1 ATOM 26 N NE2 . HIS A 1 3 ? -9.738 -4.715 5.577 1.00 80.26 3 A 1 ATOM 27 N N . LEU A 1 4 ? -10.364 -3.421 0.095 1.00 95.31 4 A 1 ATOM 28 C CA . LEU A 1 4 ? -9.242 -3.707 -0.794 1.00 95.96 4 A 1 ATOM 29 C C . LEU A 1 4 ? -8.515 -2.430 -1.194 1.00 96.66 4 A 1 ATOM 30 O O . LEU A 1 4 ? -7.290 -2.425 -1.317 1.00 96.32 4 A 1 ATOM 31 C CB . LEU A 1 4 ? -9.713 -4.451 -2.045 1.00 95.41 4 A 1 ATOM 32 C CG . LEU A 1 4 ? -10.204 -5.877 -1.794 1.00 87.58 4 A 1 ATOM 33 C CD1 . LEU A 1 4 ? -10.722 -6.485 -3.089 1.00 83.97 4 A 1 ATOM 34 C CD2 . LEU A 1 4 ? -9.094 -6.748 -1.221 1.00 83.74 4 A 1 ATOM 35 N N . VAL A 1 5 ? -9.255 -1.348 -1.386 1.00 96.87 5 A 1 ATOM 36 C CA . VAL A 1 5 ? -8.658 -0.054 -1.716 1.00 97.04 5 A 1 ATOM 37 C C . VAL A 1 5 ? -7.762 0.421 -0.576 1.00 97.33 5 A 1 ATOM 38 O O . VAL A 1 5 ? -6.643 0.884 -0.806 1.00 96.90 5 A 1 ATOM 39 C CB . VAL A 1 5 ? -9.739 0.994 -2.022 1.00 96.42 5 A 1 ATOM 40 C CG1 . VAL A 1 5 ? -9.128 2.382 -2.193 1.00 92.61 5 A 1 ATOM 41 C CG2 . VAL A 1 5 ? -10.498 0.610 -3.281 1.00 92.64 5 A 1 ATOM 42 N N . MET A 1 6 ? -8.247 0.280 0.649 1.00 96.06 6 A 1 ATOM 43 C CA . MET A 1 6 ? -7.481 0.676 1.827 1.00 96.49 6 A 1 ATOM 44 C C . MET A 1 6 ? -6.196 -0.143 1.953 1.00 96.87 6 A 1 ATOM 45 O O . MET A 1 6 ? -5.124 0.403 2.208 1.00 96.69 6 A 1 ATOM 46 C CB . MET A 1 6 ? -8.333 0.519 3.087 1.00 95.96 6 A 1 ATOM 47 C CG . MET A 1 6 ? -7.642 1.023 4.340 1.00 87.00 6 A 1 ATOM 48 S SD . MET A 1 6 ? -8.618 0.808 5.837 1.00 81.40 6 A 1 ATOM 49 C CE . MET A 1 6 ? -8.584 -0.974 5.985 1.00 70.69 6 A 1 ATOM 50 N N . ILE A 1 7 ? -6.307 -1.459 1.761 1.00 96.38 7 A 1 ATOM 51 C CA . ILE A 1 7 ? -5.149 -2.350 1.828 1.00 96.67 7 A 1 ATOM 52 C C . ILE A 1 7 ? -4.154 -2.014 0.721 1.00 97.08 7 A 1 ATOM 53 O O . ILE A 1 7 ? -2.948 -1.934 0.960 1.00 96.62 7 A 1 ATOM 54 C CB . ILE A 1 7 ? -5.580 -3.826 1.735 1.00 96.58 7 A 1 ATOM 55 C CG1 . ILE A 1 7 ? -6.409 -4.213 2.967 1.00 93.63 7 A 1 ATOM 56 C CG2 . ILE A 1 7 ? -4.356 -4.737 1.613 1.00 92.81 7 A 1 ATOM 57 C CD1 . ILE A 1 7 ? -7.096 -5.558 2.848 1.00 87.34 7 A 1 ATOM 58 N N . SER A 1 8 ? -4.653 -1.806 -0.484 1.00 96.18 8 A 1 ATOM 59 C CA . SER A 1 8 ? -3.804 -1.468 -1.621 1.00 96.34 8 A 1 ATOM 60 C C . SER A 1 8 ? -3.056 -0.159 -1.381 1.00 96.83 8 A 1 ATOM 61 O O . SER A 1 8 ? -1.869 -0.053 -1.684 1.00 96.55 8 A 1 ATOM 62 C CB . SER A 1 8 ? -4.634 -1.357 -2.893 1.00 95.74 8 A 1 ATOM 63 O OG . SER A 1 8 ? -5.237 -2.598 -3.209 1.00 85.40 8 A 1 ATOM 64 N N . LEU A 1 9 ? -3.751 0.824 -0.823 1.00 96.39 9 A 1 ATOM 65 C CA . LEU A 1 9 ? -3.138 2.109 -0.508 1.00 96.50 9 A 1 ATOM 66 C C . LEU A 1 9 ? -2.047 1.949 0.544 1.00 97.12 9 A 1 ATOM 67 O O . LEU A 1 9 ? -0.970 2.532 0.416 1.00 97.05 9 A 1 ATOM 68 C CB . LEU A 1 9 ? -4.208 3.091 -0.020 1.00 96.05 9 A 1 ATOM 69 C CG . LEU A 1 9 ? -3.690 4.497 0.307 1.00 90.78 9 A 1 ATOM 70 C CD1 . LEU A 1 9 ? -3.080 5.157 -0.919 1.00 87.44 9 A 1 ATOM 71 C CD2 . LEU A 1 9 ? -4.819 5.355 0.857 1.00 87.50 9 A 1 ATOM 72 N N . ALA A 1 10 ? -2.316 1.145 1.576 1.00 97.07 10 A 1 ATOM 73 C CA . ALA A 1 10 ? -1.343 0.891 2.633 1.00 97.23 10 A 1 ATOM 74 C C . ALA A 1 10 ? -0.084 0.232 2.074 1.00 97.54 10 A 1 ATOM 75 O O . ALA A 1 10 ? 1.032 0.629 2.409 1.00 97.03 10 A 1 ATOM 76 C CB . ALA A 1 10 ? -1.964 0.014 3.721 1.00 96.92 10 A 1 ATOM 77 N N . LEU A 1 11 ? -0.261 -0.763 1.204 1.00 97.04 11 A 1 ATOM 78 C CA . LEU A 1 11 ? 0.864 -1.448 0.573 1.00 97.03 11 A 1 ATOM 79 C C . LEU A 1 11 ? 1.659 -0.492 -0.309 1.00 97.35 11 A 1 ATOM 80 O O . LEU A 1 11 ? 2.889 -0.509 -0.300 1.00 96.91 11 A 1 ATOM 81 C CB . LEU A 1 11 ? 0.366 -2.633 -0.256 1.00 96.49 11 A 1 ATOM 82 C CG . LEU A 1 11 ? -0.178 -3.801 0.564 1.00 90.81 11 A 1 ATOM 83 C CD1 . LEU A 1 11 ? -0.819 -4.834 -0.353 1.00 88.09 11 A 1 ATOM 84 C CD2 . LEU A 1 11 ? 0.928 -4.454 1.383 1.00 88.61 11 A 1 ATOM 85 N N . LEU A 1 12 ? 0.963 0.341 -1.061 1.00 97.31 12 A 1 ATOM 86 C CA . LEU A 1 12 ? 1.606 1.319 -1.932 1.00 97.18 12 A 1 ATOM 87 C C . LEU A 1 12 ? 2.437 2.308 -1.126 1.00 97.42 12 A 1 ATOM 88 O O . LEU A 1 12 ? 3.556 2.645 -1.514 1.00 96.90 12 A 1 ATOM 89 C CB . LEU A 1 12 ? 0.554 2.060 -2.756 1.00 96.52 12 A 1 ATOM 90 C CG . LEU A 1 12 ? 1.118 3.053 -3.775 1.00 91.76 12 A 1 ATOM 91 C CD1 . LEU A 1 12 ? 1.949 2.344 -4.832 1.00 89.20 12 A 1 ATOM 92 C CD2 . LEU A 1 12 ? -0.016 3.825 -4.429 1.00 89.14 12 A 1 ATOM 93 N N . LEU A 1 13 ? 1.893 2.762 -0.004 1.00 97.42 13 A 1 ATOM 94 C CA . LEU A 1 13 ? 2.603 3.687 0.870 1.00 97.32 13 A 1 ATOM 95 C C . LEU A 1 13 ? 3.850 3.038 1.457 1.00 97.47 13 A 1 ATOM 96 O O . LEU A 1 13 ? 4.918 3.650 1.475 1.00 96.87 13 A 1 ATOM 97 C CB . LEU A 1 13 ? 1.683 4.171 1.995 1.00 96.91 13 A 1 ATOM 98 C CG . LEU A 1 13 ? 0.590 5.138 1.548 1.00 92.74 13 A 1 ATOM 99 C CD1 . LEU A 1 13 ? -0.402 5.369 2.680 1.00 89.06 13 A 1 ATOM 100 C CD2 . LEU A 1 13 ? 1.190 6.468 1.108 1.00 89.49 13 A 1 ATOM 101 N N . LEU A 1 14 ? 3.724 1.789 1.919 1.00 97.62 14 A 1 ATOM 102 C CA . LEU A 1 14 ? 4.858 1.061 2.484 1.00 97.46 14 A 1 ATOM 103 C C . LEU A 1 14 ? 5.960 0.868 1.450 1.00 97.46 14 A 1 ATOM 104 O O . LEU A 1 14 ? 7.135 1.097 1.735 1.00 96.58 14 A 1 ATOM 105 C CB . LEU A 1 14 ? 4.401 -0.294 3.028 1.00 96.84 14 A 1 ATOM 106 C CG . LEU A 1 14 ? 3.570 -0.216 4.308 1.00 92.65 14 A 1 ATOM 107 C CD1 . LEU A 1 14 ? 2.975 -1.576 4.636 1.00 89.10 14 A 1 ATOM 108 C CD2 . LEU A 1 14 ? 4.418 0.275 5.476 1.00 88.97 14 A 1 ATOM 109 N N . LEU A 1 15 ? 5.587 0.458 0.240 1.00 97.40 15 A 1 ATOM 110 C CA . LEU A 1 15 ? 6.549 0.267 -0.839 1.00 97.12 15 A 1 ATOM 111 C C . LEU A 1 15 ? 7.190 1.586 -1.248 1.00 97.06 15 A 1 ATOM 112 O O . LEU A 1 15 ? 8.393 1.645 -1.494 1.00 95.64 15 A 1 ATOM 113 C CB . LEU A 1 15 ? 5.864 -0.381 -2.044 1.00 96.47 15 A 1 ATOM 114 C CG . LEU A 1 15 ? 5.464 -1.842 -1.838 1.00 93.74 15 A 1 ATOM 115 C CD1 . LEU A 1 15 ? 4.591 -2.316 -2.992 1.00 90.25 15 A 1 ATOM 116 C CD2 . LEU A 1 15 ? 6.694 -2.728 -1.720 1.00 89.58 15 A 1 ATOM 117 N N . GLY A 1 16 ? 6.388 2.635 -1.310 1.00 96.32 16 A 1 ATOM 118 C CA . GLY A 1 16 ? 6.882 3.954 -1.677 1.00 95.75 16 A 1 ATOM 119 C C . GLY A 1 16 ? 7.871 4.513 -0.675 1.00 95.79 16 A 1 ATOM 120 O O . GLY A 1 16 ? 8.890 5.087 -1.058 1.00 94.47 16 A 1 ATOM 121 N N . VAL A 1 17 ? 7.583 4.333 0.609 1.00 95.98 17 A 1 ATOM 122 C CA . VAL A 1 17 ? 8.472 4.802 1.674 1.00 95.44 17 A 1 ATOM 123 C C . VAL A 1 17 ? 9.736 3.953 1.745 1.00 94.99 17 A 1 ATOM 124 O O . VAL A 1 17 ? 10.832 4.473 1.962 1.00 92.72 17 A 1 ATOM 125 C CB . VAL A 1 17 ? 7.754 4.802 3.037 1.00 94.03 17 A 1 ATOM 126 C CG1 . VAL A 1 17 ? 8.720 5.118 4.176 1.00 86.15 17 A 1 ATOM 127 C CG2 . VAL A 1 17 ? 6.627 5.823 3.031 1.00 87.22 17 A 1 ATOM 128 N N . GLU A 1 18 ? 9.577 2.642 1.546 1.00 94.04 18 A 1 ATOM 129 C CA . GLU A 1 18 ? 10.709 1.719 1.583 1.00 93.17 18 A 1 ATOM 130 C C . GLU A 1 18 ? 11.674 1.965 0.434 1.00 91.14 18 A 1 ATOM 131 O O . GLU A 1 18 ? 12.888 1.801 0.580 1.00 86.89 18 A 1 ATOM 132 C CB . GLU A 1 18 ? 10.200 0.274 1.545 1.00 90.20 18 A 1 ATOM 133 C CG . GLU A 1 18 ? 11.295 -0.785 1.571 1.00 81.01 18 A 1 ATOM 134 C CD . GLU A 1 18 ? 12.143 -0.728 2.829 1.00 75.91 18 A 1 ATOM 135 O OE1 . GLU A 1 18 ? 13.318 -1.121 2.755 1.00 68.53 18 A 1 ATOM 136 O OE2 . GLU A 1 18 ? 11.635 -0.299 3.874 1.00 71.11 18 A 1 ATOM 137 N N . SER A 1 19 ? 11.149 2.373 -0.691 1.00 90.73 19 A 1 ATOM 138 C CA . SER A 1 19 ? 11.950 2.640 -1.884 1.00 89.10 19 A 1 ATOM 139 C C . SER A 1 19 ? 12.465 4.081 -1.900 1.00 84.38 19 A 1 ATOM 140 O O . SER A 1 19 ? 12.166 4.841 -2.831 1.00 79.33 19 A 1 ATOM 141 C CB . SER A 1 19 ? 11.154 2.355 -3.144 1.00 83.96 19 A 1 ATOM 142 O OG . SER A 1 19 ? 11.965 2.529 -4.292 1.00 75.53 19 A 1 ATOM 143 O OXT . SER A 1 19 ? 13.181 4.454 -0.947 1.00 75.81 19 A 1 #