# 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_spkb38576 # _entry.id spkb38576 # 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 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 LEU 4 1 n ILE 5 1 n VAL 6 1 n ILE 7 1 n SER 8 1 n PHE 9 1 n ALA 10 1 n LEU 11 1 n LEU 12 1 n LEU 13 1 n MET 14 1 n THR 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 @ 2025-07-04 02:29:30)" _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 89.64 _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 81.02 1 1 A ASN 2 2 89.89 1 2 A TYR 3 2 90.99 1 3 A LEU 4 2 92.69 1 4 A ILE 5 2 94.42 1 5 A VAL 6 2 96.01 1 6 A ILE 7 2 95.09 1 7 A SER 8 2 94.11 1 8 A PHE 9 2 92.03 1 9 A ALA 10 2 96.38 1 10 A LEU 11 2 93.88 1 11 A LEU 12 2 93.55 1 12 A LEU 13 2 93.55 1 13 A MET 14 2 88.47 1 14 A THR 15 2 90.69 1 15 A GLY 16 2 88.86 1 16 A VAL 17 2 85.18 1 17 A GLU 18 2 73.97 1 18 A SER 19 2 74.61 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 LEU . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n PHE . 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 MET . 14 A 14 A 15 1 n THR . 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 ? -1.150 13.723 -3.107 1.00 87.54 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.192 12.267 -3.288 1.00 90.99 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.166 11.566 -2.405 1.00 91.52 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.651 10.784 -2.888 1.00 86.99 1 A 1 ATOM 5 C CB . MET A 1 1 ? -0.919 11.918 -4.750 1.00 83.59 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.064 12.292 -5.659 1.00 75.19 1 A 1 ATOM 7 S SD . MET A 1 1 ? -1.833 11.658 -7.326 1.00 69.88 1 A 1 ATOM 8 C CE . MET A 1 1 ? -0.718 12.868 -8.003 1.00 62.49 1 A 1 ATOM 9 N N . ASN A 1 2 ? -0.196 11.882 -1.134 1.00 93.81 2 A 1 ATOM 10 C CA . ASN A 1 2 ? 0.735 11.281 -0.186 1.00 95.40 2 A 1 ATOM 11 C C . ASN A 1 2 ? 0.139 10.039 0.460 1.00 95.96 2 A 1 ATOM 12 O O . ASN A 1 2 ? 0.807 9.016 0.605 1.00 94.18 2 A 1 ATOM 13 C CB . ASN A 1 2 ? 1.111 12.301 0.883 1.00 92.52 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -0.103 12.981 1.485 1.00 85.60 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -0.735 13.815 0.847 1.00 81.94 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -0.434 12.640 2.711 1.00 79.72 2 A 1 ATOM 17 N N . TYR A 1 3 ? -1.127 10.133 0.847 1.00 96.70 3 A 1 ATOM 18 C CA . TYR A 1 3 ? -1.818 9.020 1.485 1.00 97.04 3 A 1 ATOM 19 C C . TYR A 1 3 ? -2.136 7.922 0.474 1.00 97.39 3 A 1 ATOM 20 O O . TYR A 1 3 ? -2.135 6.736 0.808 1.00 96.79 3 A 1 ATOM 21 C CB . TYR A 1 3 ? -3.104 9.523 2.144 1.00 96.25 3 A 1 ATOM 22 C CG . TYR A 1 3 ? -3.419 8.808 3.437 1.00 91.07 3 A 1 ATOM 23 C CD1 . TYR A 1 3 ? -2.603 8.970 4.551 1.00 87.82 3 A 1 ATOM 24 C CD2 . TYR A 1 3 ? -4.530 7.978 3.532 1.00 87.33 3 A 1 ATOM 25 C CE1 . TYR A 1 3 ? -2.887 8.315 5.741 1.00 85.69 3 A 1 ATOM 26 C CE2 . TYR A 1 3 ? -4.822 7.318 4.719 1.00 86.14 3 A 1 ATOM 27 C CZ . TYR A 1 3 ? -3.996 7.493 5.823 1.00 85.97 3 A 1 ATOM 28 O OH . TYR A 1 3 ? -4.280 6.844 6.996 1.00 83.68 3 A 1 ATOM 29 N N . LEU A 1 4 ? -2.399 8.325 -0.752 1.00 96.84 4 A 1 ATOM 30 C CA . LEU A 1 4 ? -2.703 7.382 -1.829 1.00 97.07 4 A 1 ATOM 31 C C . LEU A 1 4 ? -1.537 6.427 -2.068 1.00 97.43 4 A 1 ATOM 32 O O . LEU A 1 4 ? -1.732 5.231 -2.291 1.00 96.99 4 A 1 ATOM 33 C CB . LEU A 1 4 ? -3.026 8.155 -3.112 1.00 96.46 4 A 1 ATOM 34 C CG . LEU A 1 4 ? -4.438 7.934 -3.640 1.00 88.06 4 A 1 ATOM 35 C CD1 . LEU A 1 4 ? -4.912 9.145 -4.432 1.00 84.43 4 A 1 ATOM 36 C CD2 . LEU A 1 4 ? -4.481 6.691 -4.511 1.00 84.27 4 A 1 ATOM 37 N N . ILE A 1 5 ? -0.335 6.956 -2.000 1.00 96.78 5 A 1 ATOM 38 C CA . ILE A 1 5 ? 0.873 6.159 -2.200 1.00 96.64 5 A 1 ATOM 39 C C . ILE A 1 5 ? 1.047 5.160 -1.060 1.00 96.91 5 A 1 ATOM 40 O O . ILE A 1 5 ? 1.433 4.010 -1.279 1.00 96.39 5 A 1 ATOM 41 C CB . ILE A 1 5 ? 2.111 7.066 -2.295 1.00 96.04 5 A 1 ATOM 42 C CG1 . ILE A 1 5 ? 1.949 8.087 -3.421 1.00 93.63 5 A 1 ATOM 43 C CG2 . ILE A 1 5 ? 3.362 6.218 -2.518 1.00 92.73 5 A 1 ATOM 44 C CD1 . ILE A 1 5 ? 2.909 9.250 -3.318 1.00 86.20 5 A 1 ATOM 45 N N . VAL A 1 6 ? 0.760 5.610 0.144 1.00 96.88 6 A 1 ATOM 46 C CA . VAL A 1 6 ? 0.878 4.765 1.333 1.00 97.07 6 A 1 ATOM 47 C C . VAL A 1 6 ? -0.099 3.596 1.257 1.00 97.17 6 A 1 ATOM 48 O O . VAL A 1 6 ? 0.249 2.458 1.579 1.00 96.62 6 A 1 ATOM 49 C CB . VAL A 1 6 ? 0.622 5.577 2.611 1.00 96.43 6 A 1 ATOM 50 C CG1 . VAL A 1 6 ? 0.776 4.705 3.848 1.00 94.09 6 A 1 ATOM 51 C CG2 . VAL A 1 6 ? 1.564 6.765 2.688 1.00 93.81 6 A 1 ATOM 52 N N . ILE A 1 7 ? -1.307 3.894 0.835 1.00 96.86 7 A 1 ATOM 53 C CA . ILE A 1 7 ? -2.346 2.872 0.711 1.00 96.73 7 A 1 ATOM 54 C C . ILE A 1 7 ? -1.966 1.854 -0.358 1.00 96.81 7 A 1 ATOM 55 O O . ILE A 1 7 ? -2.151 0.648 -0.180 1.00 96.38 7 A 1 ATOM 56 C CB . ILE A 1 7 ? -3.705 3.515 0.372 1.00 96.47 7 A 1 ATOM 57 C CG1 . ILE A 1 7 ? -4.155 4.456 1.490 1.00 94.68 7 A 1 ATOM 58 C CG2 . ILE A 1 7 ? -4.761 2.430 0.145 1.00 93.94 7 A 1 ATOM 59 C CD1 . ILE A 1 7 ? -5.211 5.451 1.054 1.00 88.86 7 A 1 ATOM 60 N N . SER A 1 8 ? -1.435 2.343 -1.449 1.00 96.03 8 A 1 ATOM 61 C CA . SER A 1 8 ? -1.019 1.485 -2.556 1.00 95.75 8 A 1 ATOM 62 C C . SER A 1 8 ? 0.111 0.557 -2.123 1.00 96.03 8 A 1 ATOM 63 O O . SER A 1 8 ? 0.143 -0.618 -2.485 1.00 95.46 8 A 1 ATOM 64 C CB . SER A 1 8 ? -0.570 2.339 -3.738 1.00 94.95 8 A 1 ATOM 65 O OG . SER A 1 8 ? -0.416 1.555 -4.897 1.00 86.43 8 A 1 ATOM 66 N N . PHE A 1 9 ? 1.027 1.097 -1.334 1.00 95.86 9 A 1 ATOM 67 C CA . PHE A 1 9 ? 2.160 0.328 -0.832 1.00 95.83 9 A 1 ATOM 68 C C . PHE A 1 9 ? 1.690 -0.757 0.130 1.00 96.21 9 A 1 ATOM 69 O O . PHE A 1 9 ? 2.173 -1.889 0.087 1.00 95.76 9 A 1 ATOM 70 C CB . PHE A 1 9 ? 3.141 1.262 -0.127 1.00 95.31 9 A 1 ATOM 71 C CG . PHE A 1 9 ? 4.374 0.559 0.370 1.00 93.13 9 A 1 ATOM 72 C CD1 . PHE A 1 9 ? 5.363 0.161 -0.516 1.00 88.72 9 A 1 ATOM 73 C CD2 . PHE A 1 9 ? 4.535 0.302 1.724 1.00 89.05 9 A 1 ATOM 74 C CE1 . PHE A 1 9 ? 6.501 -0.489 -0.061 1.00 87.67 9 A 1 ATOM 75 C CE2 . PHE A 1 9 ? 5.671 -0.353 2.182 1.00 87.50 9 A 1 ATOM 76 C CZ . PHE A 1 9 ? 6.654 -0.749 1.291 1.00 87.26 9 A 1 ATOM 77 N N . ALA A 1 10 ? 0.756 -0.398 0.997 1.00 96.47 10 A 1 ATOM 78 C CA . ALA A 1 10 ? 0.210 -1.339 1.971 1.00 96.55 10 A 1 ATOM 79 C C . ALA A 1 10 ? -0.527 -2.476 1.275 1.00 96.73 10 A 1 ATOM 80 O O . ALA A 1 10 ? -0.446 -3.628 1.699 1.00 95.98 10 A 1 ATOM 81 C CB . ALA A 1 10 ? -0.729 -0.611 2.924 1.00 96.15 10 A 1 ATOM 82 N N . LEU A 1 11 ? -1.232 -2.140 0.214 1.00 96.95 11 A 1 ATOM 83 C CA . LEU A 1 11 ? -1.987 -3.123 -0.560 1.00 96.72 11 A 1 ATOM 84 C C . LEU A 1 11 ? -1.041 -4.088 -1.262 1.00 96.77 11 A 1 ATOM 85 O O . LEU A 1 11 ? -1.278 -5.295 -1.296 1.00 96.01 11 A 1 ATOM 86 C CB . LEU A 1 11 ? -2.872 -2.403 -1.580 1.00 96.13 11 A 1 ATOM 87 C CG . LEU A 1 11 ? -4.317 -2.893 -1.620 1.00 91.70 11 A 1 ATOM 88 C CD1 . LEU A 1 11 ? -5.232 -1.798 -2.156 1.00 87.97 11 A 1 ATOM 89 C CD2 . LEU A 1 11 ? -4.441 -4.138 -2.473 1.00 88.75 11 A 1 ATOM 90 N N . LEU A 1 12 ? 0.031 -3.549 -1.804 1.00 96.77 12 A 1 ATOM 91 C CA . LEU A 1 12 ? 1.036 -4.356 -2.496 1.00 96.53 12 A 1 ATOM 92 C C . LEU A 1 12 ? 1.708 -5.325 -1.535 1.00 96.68 12 A 1 ATOM 93 O O . LEU A 1 12 ? 1.951 -6.484 -1.871 1.00 96.04 12 A 1 ATOM 94 C CB . LEU A 1 12 ? 2.079 -3.437 -3.130 1.00 95.84 12 A 1 ATOM 95 C CG . LEU A 1 12 ? 2.041 -3.406 -4.653 1.00 91.17 12 A 1 ATOM 96 C CD1 . LEU A 1 12 ? 2.648 -2.115 -5.182 1.00 87.77 12 A 1 ATOM 97 C CD2 . LEU A 1 12 ? 2.785 -4.604 -5.220 1.00 87.58 12 A 1 ATOM 98 N N . LEU A 1 13 ? 2.003 -4.841 -0.337 1.00 96.63 13 A 1 ATOM 99 C CA . LEU A 1 13 ? 2.641 -5.656 0.690 1.00 96.45 13 A 1 ATOM 100 C C . LEU A 1 13 ? 1.714 -6.776 1.144 1.00 96.41 13 A 1 ATOM 101 O O . LEU A 1 13 ? 2.146 -7.911 1.332 1.00 95.65 13 A 1 ATOM 102 C CB . LEU A 1 13 ? 3.019 -4.784 1.886 1.00 95.75 13 A 1 ATOM 103 C CG . LEU A 1 13 ? 4.195 -5.313 2.696 1.00 91.88 13 A 1 ATOM 104 C CD1 . LEU A 1 13 ? 5.501 -4.769 2.128 1.00 87.90 13 A 1 ATOM 105 C CD2 . LEU A 1 13 ? 4.060 -4.923 4.153 1.00 87.76 13 A 1 ATOM 106 N N . MET A 1 14 ? 0.456 -6.442 1.322 1.00 96.25 14 A 1 ATOM 107 C CA . MET A 1 14 ? -0.550 -7.407 1.758 1.00 95.98 14 A 1 ATOM 108 C C . MET A 1 14 ? -0.797 -8.463 0.684 1.00 95.71 14 A 1 ATOM 109 O O . MET A 1 14 ? -0.972 -9.639 0.984 1.00 93.11 14 A 1 ATOM 110 C CB . MET A 1 14 ? -1.848 -6.678 2.094 1.00 94.27 14 A 1 ATOM 111 C CG . MET A 1 14 ? -2.696 -7.417 3.099 1.00 86.57 14 A 1 ATOM 112 S SD . MET A 1 14 ? -4.253 -6.583 3.424 1.00 77.54 14 A 1 ATOM 113 C CE . MET A 1 14 ? -5.398 -7.896 3.026 1.00 68.34 14 A 1 ATOM 114 N N . THR A 1 15 ? -0.808 -8.039 -0.552 1.00 95.42 15 A 1 ATOM 115 C CA . THR A 1 15 ? -1.030 -8.947 -1.678 1.00 94.94 15 A 1 ATOM 116 C C . THR A 1 15 ? 0.188 -9.828 -1.917 1.00 94.35 15 A 1 ATOM 117 O O . THR A 1 15 ? 0.061 -10.987 -2.310 1.00 89.32 15 A 1 ATOM 118 C CB . THR A 1 15 ? -1.345 -8.157 -2.951 1.00 92.87 15 A 1 ATOM 119 O OG1 . THR A 1 15 ? -2.392 -7.234 -2.697 1.00 84.18 15 A 1 ATOM 120 C CG2 . THR A 1 15 ? -1.778 -9.080 -4.077 1.00 83.75 15 A 1 ATOM 121 N N . GLY A 1 16 ? 1.361 -9.282 -1.668 1.00 91.45 16 A 1 ATOM 122 C CA . GLY A 1 16 ? 2.598 -10.024 -1.868 1.00 89.55 16 A 1 ATOM 123 C C . GLY A 1 16 ? 2.842 -11.057 -0.789 1.00 88.87 16 A 1 ATOM 124 O O . GLY A 1 16 ? 3.405 -12.115 -1.055 1.00 85.55 16 A 1 ATOM 125 N N . VAL A 1 17 ? 2.418 -10.755 0.426 1.00 90.78 17 A 1 ATOM 126 C CA . VAL A 1 17 ? 2.607 -11.667 1.554 1.00 89.96 17 A 1 ATOM 127 C C . VAL A 1 17 ? 1.743 -12.910 1.407 1.00 89.18 17 A 1 ATOM 128 O O . VAL A 1 17 ? 2.153 -14.006 1.784 1.00 85.27 17 A 1 ATOM 129 C CB . VAL A 1 17 ? 2.298 -10.961 2.885 1.00 86.99 17 A 1 ATOM 130 C CG1 . VAL A 1 17 ? 0.808 -10.682 3.029 1.00 76.47 17 A 1 ATOM 131 C CG2 . VAL A 1 17 ? 2.787 -11.795 4.058 1.00 77.64 17 A 1 ATOM 132 N N . GLU A 1 18 ? 0.548 -12.740 0.874 1.00 85.80 18 A 1 ATOM 133 C CA . GLU A 1 18 ? -0.382 -13.849 0.677 1.00 84.47 18 A 1 ATOM 134 C C . GLU A 1 18 ? -0.572 -14.150 -0.794 1.00 81.77 18 A 1 ATOM 135 O O . GLU A 1 18 ? -0.648 -15.313 -1.193 1.00 74.20 18 A 1 ATOM 136 C CB . GLU A 1 18 ? -1.727 -13.527 1.330 1.00 79.37 18 A 1 ATOM 137 C CG . GLU A 1 18 ? -2.651 -14.723 1.392 1.00 71.13 18 A 1 ATOM 138 C CD . GLU A 1 18 ? -2.262 -15.695 2.483 1.00 66.78 18 A 1 ATOM 139 O OE1 . GLU A 1 18 ? -2.468 -15.366 3.657 1.00 59.84 18 A 1 ATOM 140 O OE2 . GLU A 1 18 ? -1.756 -16.778 2.145 1.00 62.34 18 A 1 ATOM 141 N N . SER A 1 19 ? -0.635 -13.076 -1.563 1.00 82.85 19 A 1 ATOM 142 C CA . SER A 1 19 ? -0.799 -13.170 -3.016 1.00 81.86 19 A 1 ATOM 143 C C . SER A 1 19 ? -2.116 -13.838 -3.408 1.00 77.56 19 A 1 ATOM 144 O O . SER A 1 19 ? -2.862 -14.275 -2.514 1.00 70.81 19 A 1 ATOM 145 C CB . SER A 1 19 ? 0.380 -13.940 -3.622 1.00 74.82 19 A 1 ATOM 146 O OG . SER A 1 19 ? 0.026 -14.553 -4.849 1.00 67.16 19 A 1 ATOM 147 O OXT . SER A 1 19 ? -2.429 -13.882 -4.612 1.00 67.19 19 A 1 #