# 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_spkb14797 # _entry.id spkb14797 # 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" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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" "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 ARG 2 1 n GLY 3 1 n VAL 4 1 n PHE 5 1 n ILE 6 1 n ALA 7 1 n GLY 8 1 n VAL 9 1 n ILE 10 1 n ALA 11 1 n ALA 12 1 n PHE 13 1 n ALA 14 1 n ILE 15 1 n THR 16 1 n VAL 17 1 n VAL 18 1 n ASP 19 1 n SER 20 # _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 @ 2025-07-08 18:12:57)" _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 93.87 _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 87.17 1 1 A ARG 2 2 87.02 1 2 A GLY 3 2 96.40 1 3 A VAL 4 2 94.77 1 4 A PHE 5 2 92.06 1 5 A ILE 6 2 94.73 1 6 A ALA 7 2 97.44 1 7 A GLY 8 2 97.47 1 8 A VAL 9 2 96.53 1 9 A ILE 10 2 95.59 1 10 A ALA 11 2 97.39 1 11 A ALA 12 2 97.73 1 12 A PHE 13 2 95.14 1 13 A ALA 14 2 97.69 1 14 A ILE 15 2 93.67 1 15 A THR 16 2 95.43 1 16 A VAL 17 2 96.13 1 17 A VAL 18 2 95.19 1 18 A ASP 19 2 92.97 1 19 A SER 20 2 88.81 1 20 # _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 ARG . 2 A 2 A 3 1 n GLY . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n ASP . 19 A 19 A 20 1 n SER . 20 A 20 # _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 ? -16.505 -0.645 8.859 1.00 92.62 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.244 -1.410 8.874 1.00 93.60 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.303 -0.923 7.775 1.00 94.46 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.624 -1.033 6.598 1.00 91.12 1 A 1 ATOM 5 C CB . MET A 1 1 ? -15.530 -2.893 8.663 1.00 89.33 1 A 1 ATOM 6 C CG . MET A 1 1 ? -16.282 -3.498 9.835 1.00 84.75 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.628 -5.248 9.620 1.00 81.29 1 A 1 ATOM 8 C CE . MET A 1 1 ? -18.006 -5.171 8.495 1.00 70.16 1 A 1 ATOM 9 N N . ARG A 1 2 ? -13.160 -0.368 8.155 1.00 94.01 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -12.182 0.151 7.212 1.00 96.12 2 A 1 ATOM 11 C C . ARG A 1 2 ? -10.795 -0.462 7.433 1.00 96.88 2 A 1 ATOM 12 O O . ARG A 1 2 ? -9.800 0.083 6.962 1.00 95.41 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -12.092 1.669 7.343 1.00 94.18 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -13.112 2.419 6.520 1.00 88.36 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -14.151 3.078 7.399 1.00 86.70 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -15.232 2.165 7.758 1.00 80.99 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -16.258 2.512 8.533 1.00 79.52 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -16.339 3.729 9.031 1.00 72.70 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -17.205 1.624 8.818 1.00 72.35 2 A 1 ATOM 20 N N . GLY A 1 3 ? -10.742 -1.570 8.147 1.00 95.37 3 A 1 ATOM 21 C CA . GLY A 1 3 ? -9.463 -2.232 8.415 1.00 96.48 3 A 1 ATOM 22 C C . GLY A 1 3 ? -8.762 -2.654 7.135 1.00 97.34 3 A 1 ATOM 23 O O . GLY A 1 3 ? -7.544 -2.541 7.006 1.00 96.40 3 A 1 ATOM 24 N N . VAL A 1 4 ? -9.553 -3.126 6.165 1.00 96.01 4 A 1 ATOM 25 C CA . VAL A 1 4 ? -9.013 -3.554 4.873 1.00 96.98 4 A 1 ATOM 26 C C . VAL A 1 4 ? -8.372 -2.381 4.135 1.00 97.45 4 A 1 ATOM 27 O O . VAL A 1 4 ? -7.348 -2.530 3.465 1.00 96.35 4 A 1 ATOM 28 C CB . VAL A 1 4 ? -10.113 -4.173 4.001 1.00 95.97 4 A 1 ATOM 29 C CG1 . VAL A 1 4 ? -9.557 -4.582 2.646 1.00 90.32 4 A 1 ATOM 30 C CG2 . VAL A 1 4 ? -10.741 -5.366 4.705 1.00 90.28 4 A 1 ATOM 31 N N . PHE A 1 5 ? -8.976 -1.203 4.269 1.00 95.14 5 A 1 ATOM 32 C CA . PHE A 1 5 ? -8.465 0.003 3.624 1.00 95.36 5 A 1 ATOM 33 C C . PHE A 1 5 ? -7.054 0.320 4.113 1.00 96.68 5 A 1 ATOM 34 O O . PHE A 1 5 ? -6.160 0.626 3.322 1.00 96.32 5 A 1 ATOM 35 C CB . PHE A 1 5 ? -9.393 1.183 3.910 1.00 94.50 5 A 1 ATOM 36 C CG . PHE A 1 5 ? -8.872 2.479 3.352 1.00 92.17 5 A 1 ATOM 37 C CD1 . PHE A 1 5 ? -8.905 2.724 1.989 1.00 89.58 5 A 1 ATOM 38 C CD2 . PHE A 1 5 ? -8.345 3.441 4.194 1.00 89.66 5 A 1 ATOM 39 C CE1 . PHE A 1 5 ? -8.419 3.912 1.472 1.00 87.42 5 A 1 ATOM 40 C CE2 . PHE A 1 5 ? -7.853 4.633 3.681 1.00 87.80 5 A 1 ATOM 41 C CZ . PHE A 1 5 ? -7.888 4.871 2.319 1.00 88.04 5 A 1 ATOM 42 N N . ILE A 1 6 ? -6.859 0.245 5.418 1.00 97.07 6 A 1 ATOM 43 C CA . ILE A 1 6 ? -5.558 0.515 6.020 1.00 97.40 6 A 1 ATOM 44 C C . ILE A 1 6 ? -4.521 -0.479 5.510 1.00 97.83 6 A 1 ATOM 45 O O . ILE A 1 6 ? -3.390 -0.106 5.185 1.00 97.76 6 A 1 ATOM 46 C CB . ILE A 1 6 ? -5.636 0.446 7.552 1.00 97.05 6 A 1 ATOM 47 C CG1 . ILE A 1 6 ? -6.608 1.500 8.083 1.00 93.80 6 A 1 ATOM 48 C CG2 . ILE A 1 6 ? -4.252 0.643 8.162 1.00 92.33 6 A 1 ATOM 49 C CD1 . ILE A 1 6 ? -6.895 1.351 9.566 1.00 84.63 6 A 1 ATOM 50 N N . ALA A 1 7 ? -4.913 -1.745 5.436 1.00 97.38 7 A 1 ATOM 51 C CA . ALA A 1 7 ? -4.019 -2.793 4.956 1.00 97.60 7 A 1 ATOM 52 C C . ALA A 1 7 ? -3.584 -2.522 3.517 1.00 97.91 7 A 1 ATOM 53 O O . ALA A 1 7 ? -2.424 -2.727 3.160 1.00 97.28 7 A 1 ATOM 54 C CB . ALA A 1 7 ? -4.715 -4.143 5.051 1.00 97.04 7 A 1 ATOM 55 N N . GLY A 1 8 ? -4.525 -2.051 2.701 1.00 97.14 8 A 1 ATOM 56 C CA . GLY A 1 8 ? -4.226 -1.734 1.310 1.00 97.24 8 A 1 ATOM 57 C C . GLY A 1 8 ? -3.234 -0.596 1.187 1.00 97.90 8 A 1 ATOM 58 O O . GLY A 1 8 ? -2.306 -0.646 0.373 1.00 97.60 8 A 1 ATOM 59 N N . VAL A 1 9 ? -3.420 0.437 2.000 1.00 97.29 9 A 1 ATOM 60 C CA . VAL A 1 9 ? -2.527 1.593 1.994 1.00 97.56 9 A 1 ATOM 61 C C . VAL A 1 9 ? -1.115 1.186 2.399 1.00 97.85 9 A 1 ATOM 62 O O . VAL A 1 9 ? -0.134 1.587 1.768 1.00 97.42 9 A 1 ATOM 63 C CB . VAL A 1 9 ? -3.036 2.688 2.945 1.00 96.88 9 A 1 ATOM 64 C CG1 . VAL A 1 9 ? -2.032 3.827 3.036 1.00 94.31 9 A 1 ATOM 65 C CG2 . VAL A 1 9 ? -4.380 3.209 2.470 1.00 94.43 9 A 1 ATOM 66 N N . ILE A 1 10 ? -1.019 0.400 3.451 1.00 97.51 10 A 1 ATOM 67 C CA . ILE A 1 10 ? 0.273 -0.066 3.944 1.00 97.53 10 A 1 ATOM 68 C C . ILE A 1 10 ? 0.968 -0.921 2.890 1.00 97.69 10 A 1 ATOM 69 O O . ILE A 1 10 ? 2.180 -0.810 2.683 1.00 97.34 10 A 1 ATOM 70 C CB . ILE A 1 10 ? 0.103 -0.877 5.239 1.00 97.10 10 A 1 ATOM 71 C CG1 . ILE A 1 10 ? -0.421 0.020 6.360 1.00 94.95 10 A 1 ATOM 72 C CG2 . ILE A 1 10 ? 1.437 -1.503 5.652 1.00 94.35 10 A 1 ATOM 73 C CD1 . ILE A 1 10 ? -0.815 -0.752 7.601 1.00 88.25 10 A 1 ATOM 74 N N . ALA A 1 11 ? 0.200 -1.770 2.222 1.00 97.72 11 A 1 ATOM 75 C CA . ALA A 1 11 ? 0.744 -2.640 1.187 1.00 97.55 11 A 1 ATOM 76 C C . ALA A 1 11 ? 1.334 -1.825 0.044 1.00 97.74 11 A 1 ATOM 77 O O . ALA A 1 11 ? 2.440 -2.095 -0.420 1.00 96.98 11 A 1 ATOM 78 C CB . ALA A 1 11 ? -0.348 -3.561 0.661 1.00 96.98 11 A 1 ATOM 79 N N . ALA A 1 12 ? 0.594 -0.813 -0.412 1.00 97.88 12 A 1 ATOM 80 C CA . ALA A 1 12 ? 1.060 0.049 -1.491 1.00 97.88 12 A 1 ATOM 81 C C . ALA A 1 12 ? 2.310 0.815 -1.076 1.00 98.04 12 A 1 ATOM 82 O O . ALA A 1 12 ? 3.253 0.959 -1.855 1.00 97.41 12 A 1 ATOM 83 C CB . ALA A 1 12 ? -0.038 1.025 -1.883 1.00 97.45 12 A 1 ATOM 84 N N . PHE A 1 13 ? 2.310 1.302 0.164 1.00 97.67 13 A 1 ATOM 85 C CA . PHE A 1 13 ? 3.446 2.040 0.703 1.00 97.58 13 A 1 ATOM 86 C C . PHE A 1 13 ? 4.683 1.157 0.769 1.00 97.94 13 A 1 ATOM 87 O O . PHE A 1 13 ? 5.780 1.580 0.397 1.00 97.53 13 A 1 ATOM 88 C CB . PHE A 1 13 ? 3.102 2.559 2.098 1.00 96.94 13 A 1 ATOM 89 C CG . PHE A 1 13 ? 4.241 3.316 2.725 1.00 95.22 13 A 1 ATOM 90 C CD1 . PHE A 1 13 ? 4.572 4.580 2.272 1.00 93.50 13 A 1 ATOM 91 C CD2 . PHE A 1 13 ? 4.958 2.762 3.767 1.00 93.66 13 A 1 ATOM 92 C CE1 . PHE A 1 13 ? 5.614 5.283 2.841 1.00 91.89 13 A 1 ATOM 93 C CE2 . PHE A 1 13 ? 6.008 3.460 4.345 1.00 92.30 13 A 1 ATOM 94 C CZ . PHE A 1 13 ? 6.339 4.721 3.881 1.00 92.31 13 A 1 ATOM 95 N N . ALA A 1 14 ? 4.506 -0.072 1.228 1.00 97.88 14 A 1 ATOM 96 C CA . ALA A 1 14 ? 5.615 -1.012 1.338 1.00 97.89 14 A 1 ATOM 97 C C . ALA A 1 14 ? 6.207 -1.325 -0.030 1.00 97.98 14 A 1 ATOM 98 O O . ALA A 1 14 ? 7.424 -1.408 -0.189 1.00 97.22 14 A 1 ATOM 99 C CB . ALA A 1 14 ? 5.145 -2.298 2.005 1.00 97.46 14 A 1 ATOM 100 N N . ILE A 1 15 ? 5.350 -1.489 -1.020 1.00 97.62 15 A 1 ATOM 101 C CA . ILE A 1 15 ? 5.789 -1.793 -2.378 1.00 97.23 15 A 1 ATOM 102 C C . ILE A 1 15 ? 6.644 -0.668 -2.944 1.00 97.41 15 A 1 ATOM 103 O O . ILE A 1 15 ? 7.702 -0.915 -3.524 1.00 96.45 15 A 1 ATOM 104 C CB . ILE A 1 15 ? 4.584 -2.036 -3.299 1.00 96.32 15 A 1 ATOM 105 C CG1 . ILE A 1 15 ? 3.836 -3.300 -2.869 1.00 91.86 15 A 1 ATOM 106 C CG2 . ILE A 1 15 ? 5.049 -2.169 -4.750 1.00 90.20 15 A 1 ATOM 107 C CD1 . ILE A 1 15 ? 2.484 -3.445 -3.543 1.00 82.25 15 A 1 ATOM 108 N N . THR A 1 16 ? 6.182 0.575 -2.790 1.00 97.83 16 A 1 ATOM 109 C CA . THR A 1 16 ? 6.920 1.720 -3.321 1.00 97.70 16 A 1 ATOM 110 C C . THR A 1 16 ? 8.251 1.913 -2.603 1.00 97.90 16 A 1 ATOM 111 O O . THR A 1 16 ? 9.252 2.275 -3.222 1.00 96.97 16 A 1 ATOM 112 C CB . THR A 1 16 ? 6.089 3.007 -3.229 1.00 96.73 16 A 1 ATOM 113 O OG1 . THR A 1 16 ? 6.796 4.068 -3.868 1.00 91.21 16 A 1 ATOM 114 C CG2 . THR A 1 16 ? 5.820 3.395 -1.794 1.00 89.69 16 A 1 ATOM 115 N N . VAL A 1 17 ? 8.267 1.671 -1.293 1.00 97.98 17 A 1 ATOM 116 C CA . VAL A 1 17 ? 9.488 1.811 -0.502 1.00 97.89 17 A 1 ATOM 117 C C . VAL A 1 17 ? 10.521 0.767 -0.903 1.00 97.80 17 A 1 ATOM 118 O O . VAL A 1 17 ? 11.699 1.077 -1.081 1.00 96.98 17 A 1 ATOM 119 C CB . VAL A 1 17 ? 9.193 1.687 1.002 1.00 97.15 17 A 1 ATOM 120 C CG1 . VAL A 1 17 ? 10.491 1.650 1.803 1.00 92.62 17 A 1 ATOM 121 C CG2 . VAL A 1 17 ? 8.334 2.849 1.461 1.00 92.47 17 A 1 ATOM 122 N N . VAL A 1 18 ? 10.074 -0.474 -1.049 1.00 97.57 18 A 1 ATOM 123 C CA . VAL A 1 18 ? 10.965 -1.566 -1.433 1.00 97.27 18 A 1 ATOM 124 C C . VAL A 1 18 ? 11.486 -1.366 -2.850 1.00 97.06 18 A 1 ATOM 125 O O . VAL A 1 18 ? 12.652 -1.647 -3.141 1.00 95.83 18 A 1 ATOM 126 C CB . VAL A 1 18 ? 10.246 -2.920 -1.331 1.00 96.21 18 A 1 ATOM 127 C CG1 . VAL A 1 18 ? 11.122 -4.039 -1.880 1.00 91.11 18 A 1 ATOM 128 C CG2 . VAL A 1 18 ? 9.876 -3.210 0.115 1.00 91.26 18 A 1 ATOM 129 N N . ASP A 1 19 ? 10.618 -0.883 -3.728 1.00 96.93 19 A 1 ATOM 130 C CA . ASP A 1 19 ? 10.992 -0.652 -5.120 1.00 96.72 19 A 1 ATOM 131 C C . ASP A 1 19 ? 12.028 0.458 -5.230 1.00 96.76 19 A 1 ATOM 132 O O . ASP A 1 19 ? 12.876 0.452 -6.128 1.00 95.24 19 A 1 ATOM 133 C CB . ASP A 1 19 ? 9.759 -0.274 -5.940 1.00 95.45 19 A 1 ATOM 134 C CG . ASP A 1 19 ? 10.073 -0.216 -7.421 1.00 89.51 19 A 1 ATOM 135 O OD1 . ASP A 1 19 ? 10.964 -0.950 -7.872 1.00 87.32 19 A 1 ATOM 136 O OD2 . ASP A 1 19 ? 9.415 0.560 -8.137 1.00 85.79 19 A 1 ATOM 137 N N . SER A 1 20 ? 11.960 1.419 -4.313 1.00 94.39 20 A 1 ATOM 138 C CA . SER A 1 20 ? 12.885 2.552 -4.297 1.00 93.53 20 A 1 ATOM 139 C C . SER A 1 20 ? 14.326 2.081 -4.091 1.00 91.15 20 A 1 ATOM 140 O O . SER A 1 20 ? 15.211 2.544 -4.822 1.00 84.83 20 A 1 ATOM 141 C CB . SER A 1 20 ? 12.502 3.542 -3.194 1.00 89.62 20 A 1 ATOM 142 O OG . SER A 1 20 ? 11.231 4.101 -3.438 1.00 83.70 20 A 1 ATOM 143 O OXT . SER A 1 20 ? 14.574 1.259 -3.192 1.00 84.42 20 A 1 #