# 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_spkb17629 # _entry.id spkb17629 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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 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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "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 PRO 2 1 n ARG 3 1 n GLY 4 1 n CYS 5 1 n ALA 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n ALA 10 1 n SER 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n ALA 15 1 n SER 16 1 n ALA 17 1 n LEU 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 @ 2025-07-08 12:39:54)" _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 91.34 _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 80.00 1 1 A PRO 2 2 88.21 1 2 A ARG 3 2 82.47 1 3 A GLY 4 2 93.57 1 4 A CYS 5 2 92.37 1 5 A ALA 6 2 95.26 1 6 A LEU 7 2 93.05 1 7 A LEU 8 2 93.58 1 8 A LEU 9 2 92.10 1 9 A ALA 10 2 96.46 1 10 A SER 11 2 94.10 1 11 A LEU 12 2 94.40 1 12 A LEU 13 2 94.40 1 13 A LEU 14 2 92.77 1 14 A ALA 15 2 96.91 1 15 A SER 16 2 95.36 1 16 A ALA 17 2 96.30 1 17 A LEU 18 2 92.59 1 18 A SER 19 2 83.96 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 PRO . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n GLY . 4 A 4 A 5 1 n CYS . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n SER . 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 ALA . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n LEU . 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 ? -6.669 -11.646 5.987 1.00 85.12 1 A 1 ATOM 2 C CA . MET A 1 1 ? -6.078 -10.481 5.315 1.00 86.09 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.485 -10.446 3.842 1.00 88.30 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.824 -11.071 3.010 1.00 85.31 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.547 -10.500 5.426 1.00 81.27 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.043 -10.212 6.831 1.00 75.83 1 A 1 ATOM 7 S SD . MET A 1 1 ? -3.212 -11.640 7.538 1.00 73.65 1 A 1 ATOM 8 C CE . MET A 1 1 ? -3.003 -11.088 9.218 1.00 64.42 1 A 1 ATOM 9 N N . PRO A 1 2 ? -7.571 -9.750 3.536 1.00 88.17 2 A 1 ATOM 10 C CA . PRO A 1 2 ? -8.054 -9.648 2.156 1.00 91.51 2 A 1 ATOM 11 C C . PRO A 1 2 ? -7.156 -8.750 1.303 1.00 93.27 2 A 1 ATOM 12 O O . PRO A 1 2 ? -6.302 -8.026 1.822 1.00 88.29 2 A 1 ATOM 13 C CB . PRO A 1 2 ? -9.451 -9.048 2.318 1.00 86.81 2 A 1 ATOM 14 C CG . PRO A 1 2 ? -9.389 -8.269 3.583 1.00 82.78 2 A 1 ATOM 15 C CD . PRO A 1 2 ? -8.387 -8.989 4.462 1.00 86.61 2 A 1 ATOM 16 N N . ARG A 1 3 ? -7.371 -8.783 0.005 1.00 91.56 3 A 1 ATOM 17 C CA . ARG A 1 3 ? -6.596 -7.970 -0.939 1.00 92.95 3 A 1 ATOM 18 C C . ARG A 1 3 ? -6.866 -6.474 -0.766 1.00 94.12 3 A 1 ATOM 19 O O . ARG A 1 3 ? -6.028 -5.652 -1.136 1.00 92.02 3 A 1 ATOM 20 C CB . ARG A 1 3 ? -6.906 -8.408 -2.372 1.00 90.16 3 A 1 ATOM 21 C CG . ARG A 1 3 ? -6.074 -9.606 -2.797 1.00 82.63 3 A 1 ATOM 22 C CD . ARG A 1 3 ? -6.442 -10.070 -4.190 1.00 80.14 3 A 1 ATOM 23 N NE . ARG A 1 3 ? -5.440 -10.995 -4.714 1.00 75.22 3 A 1 ATOM 24 C CZ . ARG A 1 3 ? -5.650 -11.854 -5.710 1.00 73.52 3 A 1 ATOM 25 N NH1 . ARG A 1 3 ? -6.827 -11.936 -6.302 1.00 67.00 3 A 1 ATOM 26 N NH2 . ARG A 1 3 ? -4.670 -12.636 -6.114 1.00 67.89 3 A 1 ATOM 27 N N . GLY A 1 4 ? -8.008 -6.142 -0.198 1.00 92.43 4 A 1 ATOM 28 C CA . GLY A 1 4 ? -8.368 -4.748 0.060 1.00 93.66 4 A 1 ATOM 29 C C . GLY A 1 4 ? -7.362 -4.036 0.950 1.00 94.97 4 A 1 ATOM 30 O O . GLY A 1 4 ? -7.018 -2.879 0.713 1.00 93.23 4 A 1 ATOM 31 N N . CYS A 1 5 ? -6.871 -4.746 1.964 1.00 94.48 5 A 1 ATOM 32 C CA . CYS A 1 5 ? -5.867 -4.205 2.881 1.00 94.93 5 A 1 ATOM 33 C C . CYS A 1 5 ? -4.518 -4.013 2.178 1.00 95.53 5 A 1 ATOM 34 O O . CYS A 1 5 ? -3.808 -3.040 2.440 1.00 93.76 5 A 1 ATOM 35 C CB . CYS A 1 5 ? -5.720 -5.131 4.091 1.00 92.58 5 A 1 ATOM 36 S SG . CYS A 1 5 ? -4.812 -4.346 5.442 1.00 82.93 5 A 1 ATOM 37 N N . ALA A 1 6 ? -4.183 -4.933 1.283 1.00 94.55 6 A 1 ATOM 38 C CA . ALA A 1 6 ? -2.940 -4.865 0.511 1.00 95.42 6 A 1 ATOM 39 C C . ALA A 1 6 ? -2.918 -3.641 -0.409 1.00 96.37 6 A 1 ATOM 40 O O . ALA A 1 6 ? -1.860 -3.037 -0.616 1.00 95.54 6 A 1 ATOM 41 C CB . ALA A 1 6 ? -2.771 -6.146 -0.301 1.00 94.42 6 A 1 ATOM 42 N N . LEU A 1 7 ? -4.082 -3.270 -0.929 1.00 94.86 7 A 1 ATOM 43 C CA . LEU A 1 7 ? -4.213 -2.100 -1.798 1.00 95.45 7 A 1 ATOM 44 C C . LEU A 1 7 ? -3.899 -0.808 -1.042 1.00 96.38 7 A 1 ATOM 45 O O . LEU A 1 7 ? -3.273 0.099 -1.595 1.00 95.94 7 A 1 ATOM 46 C CB . LEU A 1 7 ? -5.624 -2.038 -2.385 1.00 95.29 7 A 1 ATOM 47 C CG . LEU A 1 7 ? -5.877 -3.009 -3.536 1.00 90.81 7 A 1 ATOM 48 C CD1 . LEU A 1 7 ? -7.367 -3.168 -3.775 1.00 87.86 7 A 1 ATOM 49 C CD2 . LEU A 1 7 ? -5.196 -2.528 -4.811 1.00 87.83 7 A 1 ATOM 50 N N . LEU A 1 8 ? -4.314 -0.746 0.215 1.00 95.41 8 A 1 ATOM 51 C CA . LEU A 1 8 ? -4.042 0.413 1.064 1.00 95.56 8 A 1 ATOM 52 C C . LEU A 1 8 ? -2.541 0.581 1.302 1.00 96.24 8 A 1 ATOM 53 O O . LEU A 1 8 ? -2.021 1.699 1.240 1.00 96.15 8 A 1 ATOM 54 C CB . LEU A 1 8 ? -4.779 0.265 2.398 1.00 95.71 8 A 1 ATOM 55 C CG . LEU A 1 8 ? -6.268 0.587 2.336 1.00 91.98 8 A 1 ATOM 56 C CD1 . LEU A 1 8 ? -6.993 -0.010 3.530 1.00 88.82 8 A 1 ATOM 57 C CD2 . LEU A 1 8 ? -6.489 2.097 2.297 1.00 88.80 8 A 1 ATOM 58 N N . LEU A 1 9 ? -1.866 -0.528 1.555 1.00 95.03 9 A 1 ATOM 59 C CA . LEU A 1 9 ? -0.417 -0.523 1.770 1.00 95.17 9 A 1 ATOM 60 C C . LEU A 1 9 ? 0.330 -0.103 0.503 1.00 96.03 9 A 1 ATOM 61 O O . LEU A 1 9 ? 1.276 0.690 0.571 1.00 96.07 9 A 1 ATOM 62 C CB . LEU A 1 9 ? 0.041 -1.913 2.226 1.00 94.88 9 A 1 ATOM 63 C CG . LEU A 1 9 ? 1.387 -1.917 2.947 1.00 87.96 9 A 1 ATOM 64 C CD1 . LEU A 1 9 ? 1.214 -1.574 4.426 1.00 85.92 9 A 1 ATOM 65 C CD2 . LEU A 1 9 ? 2.059 -3.268 2.807 1.00 85.76 9 A 1 ATOM 66 N N . ALA A 1 10 ? -0.109 -0.620 -0.637 1.00 96.29 10 A 1 ATOM 67 C CA . ALA A 1 10 ? 0.493 -0.292 -1.930 1.00 96.45 10 A 1 ATOM 68 C C . ALA A 1 10 ? 0.311 1.190 -2.267 1.00 97.04 10 A 1 ATOM 69 O O . ALA A 1 10 ? 1.228 1.827 -2.791 1.00 96.48 10 A 1 ATOM 70 C CB . ALA A 1 10 ? -0.123 -1.166 -3.017 1.00 96.02 10 A 1 ATOM 71 N N . SER A 1 11 ? -0.862 1.732 -1.941 1.00 95.66 11 A 1 ATOM 72 C CA . SER A 1 11 ? -1.174 3.140 -2.177 1.00 95.63 11 A 1 ATOM 73 C C . SER A 1 11 ? -0.285 4.051 -1.333 1.00 96.13 11 A 1 ATOM 74 O O . SER A 1 11 ? 0.163 5.095 -1.805 1.00 95.33 11 A 1 ATOM 75 C CB . SER A 1 11 ? -2.647 3.404 -1.875 1.00 94.89 11 A 1 ATOM 76 O OG . SER A 1 11 ? -3.059 4.616 -2.448 1.00 86.96 11 A 1 ATOM 77 N N . LEU A 1 12 ? -0.018 3.638 -0.095 1.00 96.45 12 A 1 ATOM 78 C CA . LEU A 1 12 ? 0.850 4.382 0.816 1.00 96.34 12 A 1 ATOM 79 C C . LEU A 1 12 ? 2.280 4.459 0.281 1.00 96.84 12 A 1 ATOM 80 O O . LEU A 1 12 ? 2.907 5.523 0.329 1.00 96.08 12 A 1 ATOM 81 C CB . LEU A 1 12 ? 0.833 3.717 2.195 1.00 95.96 12 A 1 ATOM 82 C CG . LEU A 1 12 ? 1.286 4.628 3.331 1.00 93.56 12 A 1 ATOM 83 C CD1 . LEU A 1 12 ? 0.120 5.460 3.856 1.00 90.04 12 A 1 ATOM 84 C CD2 . LEU A 1 12 ? 1.888 3.813 4.456 1.00 89.96 12 A 1 ATOM 85 N N . LEU A 1 13 ? 2.774 3.336 -0.234 1.00 96.25 13 A 1 ATOM 86 C CA . LEU A 1 13 ? 4.116 3.270 -0.816 1.00 96.15 13 A 1 ATOM 87 C C . LEU A 1 13 ? 4.230 4.163 -2.049 1.00 96.67 13 A 1 ATOM 88 O O . LEU A 1 13 ? 5.240 4.859 -2.221 1.00 96.19 13 A 1 ATOM 89 C CB . LEU A 1 13 ? 4.449 1.817 -1.178 1.00 95.95 13 A 1 ATOM 90 C CG . LEU A 1 13 ? 5.094 1.025 -0.043 1.00 93.63 13 A 1 ATOM 91 C CD1 . LEU A 1 13 ? 4.902 -0.467 -0.256 1.00 90.57 13 A 1 ATOM 92 C CD2 . LEU A 1 13 ? 6.579 1.347 0.060 1.00 89.81 13 A 1 ATOM 93 N N . LEU A 1 14 ? 3.187 4.160 -2.872 1.00 96.65 14 A 1 ATOM 94 C CA . LEU A 1 14 ? 3.151 4.979 -4.079 1.00 96.49 14 A 1 ATOM 95 C C . LEU A 1 14 ? 3.139 6.466 -3.732 1.00 97.06 14 A 1 ATOM 96 O O . LEU A 1 14 ? 3.841 7.261 -4.364 1.00 96.45 14 A 1 ATOM 97 C CB . LEU A 1 14 ? 1.923 4.615 -4.916 1.00 95.70 14 A 1 ATOM 98 C CG . LEU A 1 14 ? 2.098 4.865 -6.411 1.00 88.85 14 A 1 ATOM 99 C CD1 . LEU A 1 14 ? 2.808 3.691 -7.078 1.00 85.69 14 A 1 ATOM 100 C CD2 . LEU A 1 14 ? 0.752 5.100 -7.067 1.00 85.27 14 A 1 ATOM 101 N N . ALA A 1 15 ? 2.365 6.835 -2.721 1.00 97.36 15 A 1 ATOM 102 C CA . ALA A 1 15 ? 2.281 8.222 -2.260 1.00 97.10 15 A 1 ATOM 103 C C . ALA A 1 15 ? 3.622 8.708 -1.704 1.00 97.60 15 A 1 ATOM 104 O O . ALA A 1 15 ? 4.010 9.855 -1.935 1.00 96.50 15 A 1 ATOM 105 C CB . ALA A 1 15 ? 1.189 8.338 -1.204 1.00 96.00 15 A 1 ATOM 106 N N . SER A 1 16 ? 4.325 7.833 -0.989 1.00 97.57 16 A 1 ATOM 107 C CA . SER A 1 16 ? 5.642 8.140 -0.427 1.00 97.30 16 A 1 ATOM 108 C C . SER A 1 16 ? 6.674 8.374 -1.527 1.00 97.63 16 A 1 ATOM 109 O O . SER A 1 16 ? 7.506 9.279 -1.419 1.00 96.41 16 A 1 ATOM 110 C CB . SER A 1 16 ? 6.097 7.010 0.493 1.00 96.03 16 A 1 ATOM 111 O OG . SER A 1 16 ? 7.232 7.391 1.226 1.00 87.23 16 A 1 ATOM 112 N N . ALA A 1 17 ? 6.604 7.573 -2.586 1.00 96.87 17 A 1 ATOM 113 C CA . ALA A 1 17 ? 7.514 7.691 -3.727 1.00 96.50 17 A 1 ATOM 114 C C . ALA A 1 17 ? 7.245 8.962 -4.533 1.00 96.95 17 A 1 ATOM 115 O O . ALA A 1 17 ? 8.174 9.549 -5.097 1.00 95.66 17 A 1 ATOM 116 C CB . ALA A 1 17 ? 7.386 6.460 -4.619 1.00 95.54 17 A 1 ATOM 117 N N . LEU A 1 18 ? 5.988 9.376 -4.581 1.00 96.90 18 A 1 ATOM 118 C CA . LEU A 1 18 ? 5.583 10.581 -5.300 1.00 96.19 18 A 1 ATOM 119 C C . LEU A 1 18 ? 6.102 11.844 -4.621 1.00 96.19 18 A 1 ATOM 120 O O . LEU A 1 18 ? 6.440 12.822 -5.302 1.00 94.05 18 A 1 ATOM 121 C CB . LEU A 1 18 ? 4.056 10.621 -5.415 1.00 94.94 18 A 1 ATOM 122 C CG . LEU A 1 18 ? 3.508 11.628 -6.423 1.00 91.94 18 A 1 ATOM 123 C CD1 . LEU A 1 18 ? 3.648 11.107 -7.849 1.00 86.40 18 A 1 ATOM 124 C CD2 . LEU A 1 18 ? 2.051 11.937 -6.123 1.00 84.11 18 A 1 ATOM 125 N N . SER A 1 19 ? 6.168 11.816 -3.296 1.00 93.06 19 A 1 ATOM 126 C CA . SER A 1 19 ? 6.647 12.944 -2.494 1.00 90.30 19 A 1 ATOM 127 C C . SER A 1 19 ? 8.148 13.157 -2.688 1.00 86.16 19 A 1 ATOM 128 O O . SER A 1 19 ? 8.553 14.277 -3.040 1.00 78.65 19 A 1 ATOM 129 C CB . SER A 1 19 ? 6.324 12.725 -1.019 1.00 84.17 19 A 1 ATOM 130 O OG . SER A 1 19 ? 6.618 13.889 -0.278 1.00 76.88 19 A 1 ATOM 131 O OXT . SER A 1 19 ? 8.895 12.198 -2.479 1.00 78.51 19 A 1 #