# 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_spkb17777 # _entry.id spkb17777 # 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 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "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 ILE 2 1 n ILE 3 1 n LYS 4 1 n LEU 5 1 n ILE 6 1 n PHE 7 1 n LEU 8 1 n ILE 9 1 n CYS 10 1 n PHE 11 1 n LYS 12 1 n ILE 13 1 n VAL 14 1 n LEU 15 1 n SER 16 # _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 01:23:23)" _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 91.67 _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 83.06 1 1 A ILE 2 2 89.91 1 2 A ILE 3 2 92.55 1 3 A LYS 4 2 89.56 1 4 A LEU 5 2 92.34 1 5 A ILE 6 2 94.49 1 6 A PHE 7 2 92.01 1 7 A LEU 8 2 93.33 1 8 A ILE 9 2 95.06 1 9 A CYS 10 2 94.89 1 10 A PHE 11 2 91.44 1 11 A LYS 12 2 90.68 1 12 A ILE 13 2 95.41 1 13 A VAL 14 2 93.96 1 14 A LEU 15 2 93.08 1 15 A SER 16 2 85.62 1 16 # _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 ILE . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n LYS . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n SER . 16 A 16 # _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 ? 6.692 6.219 5.640 1.00 88.80 1 A 1 ATOM 2 C CA . MET A 1 1 ? 5.768 6.641 6.709 1.00 90.61 1 A 1 ATOM 3 C C . MET A 1 1 ? 4.586 5.682 6.806 1.00 90.87 1 A 1 ATOM 4 O O . MET A 1 1 ? 4.372 4.871 5.919 1.00 88.29 1 A 1 ATOM 5 C CB . MET A 1 1 ? 5.270 8.063 6.429 1.00 86.49 1 A 1 ATOM 6 C CG . MET A 1 1 ? 6.368 9.093 6.661 1.00 77.66 1 A 1 ATOM 7 S SD . MET A 1 1 ? 5.820 10.769 6.359 1.00 73.62 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.175 11.695 7.081 1.00 68.18 1 A 1 ATOM 9 N N . ILE A 1 2 ? 3.824 5.784 7.879 1.00 90.23 2 A 1 ATOM 10 C CA . ILE A 1 2 ? 2.695 4.886 8.140 1.00 92.87 2 A 1 ATOM 11 C C . ILE A 1 2 ? 1.662 4.939 7.013 1.00 94.01 2 A 1 ATOM 12 O O . ILE A 1 2 ? 1.138 3.911 6.586 1.00 92.80 2 A 1 ATOM 13 C CB . ILE A 1 2 ? 2.037 5.245 9.480 1.00 91.70 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? 3.038 5.035 10.622 1.00 87.81 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? 0.787 4.391 9.697 1.00 86.75 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? 2.553 5.599 11.943 1.00 83.07 2 A 1 ATOM 17 N N . ILE A 1 3 ? 1.379 6.119 6.523 1.00 94.22 3 A 1 ATOM 18 C CA . ILE A 1 3 ? 0.391 6.295 5.458 1.00 95.14 3 A 1 ATOM 19 C C . ILE A 1 3 ? 0.775 5.486 4.219 1.00 95.50 3 A 1 ATOM 20 O O . ILE A 1 3 ? -0.080 4.913 3.544 1.00 94.33 3 A 1 ATOM 21 C CB . ILE A 1 3 ? 0.242 7.785 5.109 1.00 94.34 3 A 1 ATOM 22 C CG1 . ILE A 1 3 ? -0.278 8.557 6.331 1.00 90.68 3 A 1 ATOM 23 C CG2 . ILE A 1 3 ? -0.714 7.958 3.929 1.00 89.73 3 A 1 ATOM 24 C CD1 . ILE A 1 3 ? -0.264 10.063 6.138 1.00 86.49 3 A 1 ATOM 25 N N . LYS A 1 4 ? 2.061 5.396 3.928 1.00 96.24 4 A 1 ATOM 26 C CA . LYS A 1 4 ? 2.540 4.643 2.769 1.00 95.95 4 A 1 ATOM 27 C C . LYS A 1 4 ? 2.233 3.158 2.918 1.00 96.13 4 A 1 ATOM 28 O O . LYS A 1 4 ? 1.848 2.501 1.951 1.00 94.76 4 A 1 ATOM 29 C CB . LYS A 1 4 ? 4.043 4.863 2.582 1.00 95.14 4 A 1 ATOM 30 C CG . LYS A 1 4 ? 4.370 6.301 2.206 1.00 88.24 4 A 1 ATOM 31 C CD . LYS A 1 4 ? 5.863 6.496 2.009 1.00 84.69 4 A 1 ATOM 32 C CE . LYS A 1 4 ? 6.177 7.936 1.612 1.00 81.11 4 A 1 ATOM 33 N NZ . LYS A 1 4 ? 7.625 8.156 1.424 1.00 73.80 4 A 1 ATOM 34 N N . LEU A 1 5 ? 2.389 2.633 4.109 1.00 95.77 5 A 1 ATOM 35 C CA . LEU A 1 5 ? 2.094 1.230 4.372 1.00 95.81 5 A 1 ATOM 36 C C . LEU A 1 5 ? 0.608 0.951 4.192 1.00 96.38 5 A 1 ATOM 37 O O . LEU A 1 5 ? 0.227 -0.041 3.570 1.00 95.83 5 A 1 ATOM 38 C CB . LEU A 1 5 ? 2.523 0.872 5.797 1.00 95.44 5 A 1 ATOM 39 C CG . LEU A 1 5 ? 4.035 0.872 5.991 1.00 88.01 5 A 1 ATOM 40 C CD1 . LEU A 1 5 ? 4.372 0.769 7.470 1.00 85.00 5 A 1 ATOM 41 C CD2 . LEU A 1 5 ? 4.657 -0.295 5.240 1.00 86.45 5 A 1 ATOM 42 N N . ILE A 1 6 ? -0.213 1.824 4.716 1.00 96.40 6 A 1 ATOM 43 C CA . ILE A 1 6 ? -1.658 1.676 4.595 1.00 96.40 6 A 1 ATOM 44 C C . ILE A 1 6 ? -2.073 1.747 3.130 1.00 96.40 6 A 1 ATOM 45 O O . ILE A 1 6 ? -2.901 0.966 2.662 1.00 95.47 6 A 1 ATOM 46 C CB . ILE A 1 6 ? -2.378 2.766 5.405 1.00 96.15 6 A 1 ATOM 47 C CG1 . ILE A 1 6 ? -1.992 2.723 6.894 1.00 93.54 6 A 1 ATOM 48 C CG2 . ILE A 1 6 ? -3.887 2.625 5.231 1.00 92.46 6 A 1 ATOM 49 C CD1 . ILE A 1 6 ? -2.303 1.399 7.556 1.00 89.13 6 A 1 ATOM 50 N N . PHE A 1 7 ? -1.488 2.660 2.408 1.00 96.02 7 A 1 ATOM 51 C CA . PHE A 1 7 ? -1.790 2.833 0.995 1.00 95.94 7 A 1 ATOM 52 C C . PHE A 1 7 ? -1.443 1.576 0.203 1.00 95.97 7 A 1 ATOM 53 O O . PHE A 1 7 ? -2.222 1.128 -0.639 1.00 95.00 7 A 1 ATOM 54 C CB . PHE A 1 7 ? -1.018 4.032 0.459 1.00 95.49 7 A 1 ATOM 55 C CG . PHE A 1 7 ? -1.459 4.429 -0.915 1.00 92.72 7 A 1 ATOM 56 C CD1 . PHE A 1 7 ? -0.855 3.879 -2.034 1.00 88.97 7 A 1 ATOM 57 C CD2 . PHE A 1 7 ? -2.484 5.343 -1.069 1.00 89.38 7 A 1 ATOM 58 C CE1 . PHE A 1 7 ? -1.270 4.235 -3.303 1.00 87.31 7 A 1 ATOM 59 C CE2 . PHE A 1 7 ? -2.902 5.706 -2.342 1.00 87.43 7 A 1 ATOM 60 C CZ . PHE A 1 7 ? -2.296 5.150 -3.452 1.00 87.91 7 A 1 ATOM 61 N N . LEU A 1 8 ? -0.288 0.995 0.485 1.00 96.41 8 A 1 ATOM 62 C CA . LEU A 1 8 ? 0.142 -0.223 -0.190 1.00 96.39 8 A 1 ATOM 63 C C . LEU A 1 8 ? -0.810 -1.377 0.090 1.00 96.65 8 A 1 ATOM 64 O O . LEU A 1 8 ? -1.152 -2.139 -0.816 1.00 96.14 8 A 1 ATOM 65 C CB . LEU A 1 8 ? 1.553 -0.582 0.277 1.00 96.06 8 A 1 ATOM 66 C CG . LEU A 1 8 ? 2.631 0.291 -0.356 1.00 89.23 8 A 1 ATOM 67 C CD1 . LEU A 1 8 ? 3.943 0.138 0.398 1.00 87.11 8 A 1 ATOM 68 C CD2 . LEU A 1 8 ? 2.838 -0.107 -1.808 1.00 88.61 8 A 1 ATOM 69 N N . ILE A 1 9 ? -1.220 -1.508 1.316 1.00 96.39 9 A 1 ATOM 70 C CA . ILE A 1 9 ? -2.139 -2.569 1.705 1.00 96.45 9 A 1 ATOM 71 C C . ILE A 1 9 ? -3.475 -2.400 0.988 1.00 96.53 9 A 1 ATOM 72 O O . ILE A 1 9 ? -3.996 -3.349 0.403 1.00 95.85 9 A 1 ATOM 73 C CB . ILE A 1 9 ? -2.336 -2.571 3.228 1.00 96.36 9 A 1 ATOM 74 C CG1 . ILE A 1 9 ? -1.019 -2.935 3.922 1.00 94.30 9 A 1 ATOM 75 C CG2 . ILE A 1 9 ? -3.433 -3.565 3.609 1.00 93.80 9 A 1 ATOM 76 C CD1 . ILE A 1 9 ? -1.034 -2.637 5.409 1.00 90.81 9 A 1 ATOM 77 N N . CYS A 1 10 ? -4.015 -1.198 1.020 1.00 96.19 10 A 1 ATOM 78 C CA . CYS A 1 10 ? -5.290 -0.924 0.369 1.00 96.14 10 A 1 ATOM 79 C C . CYS A 1 10 ? -5.205 -1.165 -1.134 1.00 96.27 10 A 1 ATOM 80 O O . CYS A 1 10 ? -6.101 -1.754 -1.728 1.00 95.39 10 A 1 ATOM 81 C CB . CYS A 1 10 ? -5.715 0.515 0.643 1.00 95.26 10 A 1 ATOM 82 S SG . CYS A 1 10 ? -6.135 0.790 2.364 1.00 90.09 10 A 1 ATOM 83 N N . PHE A 1 11 ? -4.122 -0.735 -1.727 1.00 96.02 11 A 1 ATOM 84 C CA . PHE A 1 11 ? -3.920 -0.913 -3.156 1.00 96.11 11 A 1 ATOM 85 C C . PHE A 1 11 ? -3.865 -2.389 -3.525 1.00 96.42 11 A 1 ATOM 86 O O . PHE A 1 11 ? -4.470 -2.817 -4.506 1.00 94.97 11 A 1 ATOM 87 C CB . PHE A 1 11 ? -2.631 -0.216 -3.576 1.00 95.41 11 A 1 ATOM 88 C CG . PHE A 1 11 ? -2.354 -0.360 -5.042 1.00 91.49 11 A 1 ATOM 89 C CD1 . PHE A 1 11 ? -3.092 0.350 -5.972 1.00 87.49 11 A 1 ATOM 90 C CD2 . PHE A 1 11 ? -1.364 -1.224 -5.476 1.00 87.98 11 A 1 ATOM 91 C CE1 . PHE A 1 11 ? -2.844 0.210 -7.324 1.00 85.99 11 A 1 ATOM 92 C CE2 . PHE A 1 11 ? -1.111 -1.372 -6.834 1.00 86.87 11 A 1 ATOM 93 C CZ . PHE A 1 11 ? -1.852 -0.652 -7.753 1.00 87.07 11 A 1 ATOM 94 N N . LYS A 1 12 ? -3.153 -3.168 -2.740 1.00 97.20 12 A 1 ATOM 95 C CA . LYS A 1 12 ? -3.029 -4.595 -3.008 1.00 97.11 12 A 1 ATOM 96 C C . LYS A 1 12 ? -4.362 -5.312 -2.857 1.00 97.29 12 A 1 ATOM 97 O O . LYS A 1 12 ? -4.668 -6.225 -3.623 1.00 96.01 12 A 1 ATOM 98 C CB . LYS A 1 12 ? -1.984 -5.195 -2.078 1.00 96.58 12 A 1 ATOM 99 C CG . LYS A 1 12 ? -1.631 -6.603 -2.493 1.00 90.02 12 A 1 ATOM 100 C CD . LYS A 1 12 ? -0.424 -7.101 -1.735 1.00 86.29 12 A 1 ATOM 101 C CE . LYS A 1 12 ? -0.044 -8.497 -2.218 1.00 82.36 12 A 1 ATOM 102 N NZ . LYS A 1 12 ? 1.202 -8.946 -1.577 1.00 73.23 12 A 1 ATOM 103 N N . ILE A 1 13 ? -5.148 -4.908 -1.892 1.00 96.85 13 A 1 ATOM 104 C CA . ILE A 1 13 ? -6.463 -5.503 -1.674 1.00 96.81 13 A 1 ATOM 105 C C . ILE A 1 13 ? -7.371 -5.244 -2.870 1.00 96.84 13 A 1 ATOM 106 O O . ILE A 1 13 ? -8.051 -6.149 -3.351 1.00 95.42 13 A 1 ATOM 107 C CB . ILE A 1 13 ? -7.101 -4.948 -0.392 1.00 96.32 13 A 1 ATOM 108 C CG1 . ILE A 1 13 ? -6.310 -5.422 0.828 1.00 94.65 13 A 1 ATOM 109 C CG2 . ILE A 1 13 ? -8.555 -5.404 -0.289 1.00 93.93 13 A 1 ATOM 110 C CD1 . ILE A 1 13 ? -6.694 -4.692 2.094 1.00 92.45 13 A 1 ATOM 111 N N . VAL A 1 14 ? -7.374 -4.023 -3.345 1.00 96.48 14 A 1 ATOM 112 C CA . VAL A 1 14 ? -8.214 -3.654 -4.482 1.00 96.16 14 A 1 ATOM 113 C C . VAL A 1 14 ? -7.732 -4.323 -5.760 1.00 96.25 14 A 1 ATOM 114 O O . VAL A 1 14 ? -8.534 -4.743 -6.598 1.00 94.47 14 A 1 ATOM 115 C CB . VAL A 1 14 ? -8.230 -2.133 -4.660 1.00 94.66 14 A 1 ATOM 116 C CG1 . VAL A 1 14 ? -9.008 -1.745 -5.900 1.00 90.15 14 A 1 ATOM 117 C CG2 . VAL A 1 14 ? -8.847 -1.478 -3.444 1.00 89.52 14 A 1 ATOM 118 N N . LEU A 1 15 ? -6.429 -4.416 -5.907 1.00 95.61 15 A 1 ATOM 119 C CA . LEU A 1 15 ? -5.843 -4.998 -7.105 1.00 95.17 15 A 1 ATOM 120 C C . LEU A 1 15 ? -6.012 -6.511 -7.147 1.00 94.51 15 A 1 ATOM 121 O O . LEU A 1 15 ? -6.233 -7.086 -8.216 1.00 92.98 15 A 1 ATOM 122 C CB . LEU A 1 15 ? -4.358 -4.629 -7.172 1.00 94.75 15 A 1 ATOM 123 C CG . LEU A 1 15 ? -3.645 -5.138 -8.422 1.00 93.24 15 A 1 ATOM 124 C CD1 . LEU A 1 15 ? -4.283 -4.545 -9.666 1.00 89.56 15 A 1 ATOM 125 C CD2 . LEU A 1 15 ? -2.175 -4.778 -8.366 1.00 88.82 15 A 1 ATOM 126 N N . SER A 1 16 ? -5.893 -7.153 -6.019 1.00 93.62 16 A 1 ATOM 127 C CA . SER A 1 16 ? -6.006 -8.610 -5.931 1.00 91.24 16 A 1 ATOM 128 C C . SER A 1 16 ? -7.438 -9.074 -6.176 1.00 87.60 16 A 1 ATOM 129 O O . SER A 1 16 ? -7.625 -10.145 -6.774 1.00 81.41 16 A 1 ATOM 130 C CB . SER A 1 16 ? -5.519 -9.093 -4.566 1.00 87.45 16 A 1 ATOM 131 O OG . SER A 1 16 ? -4.139 -8.829 -4.419 1.00 78.68 16 A 1 ATOM 132 O OXT . SER A 1 16 ? -8.357 -8.389 -5.778 1.00 79.36 16 A 1 #