# 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_spkb34253 # _entry.id spkb34253 # 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" "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" "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)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 LYS 2 1 n THR 3 1 n PHE 4 1 n LEU 5 1 n PRO 6 1 n CYS 7 1 n LEU 8 1 n PHE 9 1 n PHE 10 1 n LEU 11 1 n LEU 12 1 n ILE 13 1 n LEU 14 1 n VAL 15 1 n GLY 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 @ 2025-07-11 19:24:19)" _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 94.02 _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 86.09 1 1 A LYS 2 2 87.07 1 2 A THR 3 2 93.74 1 3 A PHE 4 2 93.44 1 4 A LEU 5 2 93.96 1 5 A PRO 6 2 96.27 1 6 A CYS 7 2 97.02 1 7 A LEU 8 2 95.13 1 8 A PHE 9 2 94.92 1 9 A PHE 10 2 95.29 1 10 A LEU 11 2 95.56 1 11 A LEU 12 2 95.48 1 12 A ILE 13 2 97.07 1 13 A LEU 14 2 96.47 1 14 A VAL 15 2 95.94 1 15 A GLY 16 2 91.45 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 LYS . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n PRO . 6 A 6 A 7 1 n CYS . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n GLY . 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 ? 2.325 11.546 2.813 1.00 92.95 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.666 10.346 2.258 1.00 93.48 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.558 9.238 3.304 1.00 93.48 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.175 8.193 3.177 1.00 90.76 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.454 9.831 1.049 1.00 90.11 1 A 1 ATOM 6 C CG . MET A 1 1 ? 2.358 10.769 -0.134 1.00 83.59 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.288 10.176 -1.559 1.00 76.08 1 A 1 ATOM 8 C CE . MET A 1 1 ? 4.821 11.042 -1.327 1.00 68.26 1 A 1 ATOM 9 N N . LYS A 1 2 ? 0.801 9.484 4.350 1.00 94.36 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 0.637 8.507 5.433 1.00 94.93 2 A 1 ATOM 11 C C . LYS A 1 2 ? -0.544 7.560 5.185 1.00 95.39 2 A 1 ATOM 12 O O . LYS A 1 2 ? -0.645 6.517 5.820 1.00 94.17 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 0.478 9.247 6.772 1.00 93.09 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -0.773 10.117 6.845 1.00 85.07 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -0.804 10.895 8.151 1.00 82.07 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -2.075 11.711 8.274 1.00 75.97 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -2.076 12.502 9.528 1.00 68.58 2 A 1 ATOM 18 N N . THR A 1 3 ? -1.406 7.910 4.259 1.00 95.77 3 A 1 ATOM 19 C CA . THR A 1 3 ? -2.601 7.116 3.955 1.00 96.55 3 A 1 ATOM 20 C C . THR A 1 3 ? -2.372 6.189 2.759 1.00 96.91 3 A 1 ATOM 21 O O . THR A 1 3 ? -3.192 5.324 2.466 1.00 95.63 3 A 1 ATOM 22 C CB . THR A 1 3 ? -3.793 8.046 3.668 1.00 95.51 3 A 1 ATOM 23 O OG1 . THR A 1 3 ? -3.616 9.309 4.290 1.00 89.20 3 A 1 ATOM 24 C CG2 . THR A 1 3 ? -5.086 7.437 4.178 1.00 86.60 3 A 1 ATOM 25 N N . PHE A 1 4 ? -1.271 6.369 2.071 1.00 96.99 4 A 1 ATOM 26 C CA . PHE A 1 4 ? -0.957 5.574 0.882 1.00 96.99 4 A 1 ATOM 27 C C . PHE A 1 4 ? -0.265 4.263 1.245 1.00 97.23 4 A 1 ATOM 28 O O . PHE A 1 4 ? -0.168 3.360 0.418 1.00 96.69 4 A 1 ATOM 29 C CB . PHE A 1 4 ? -0.064 6.405 -0.052 1.00 96.56 4 A 1 ATOM 30 C CG . PHE A 1 4 ? -0.649 6.544 -1.436 1.00 93.80 4 A 1 ATOM 31 C CD1 . PHE A 1 4 ? -1.725 7.388 -1.666 1.00 90.85 4 A 1 ATOM 32 C CD2 . PHE A 1 4 ? -0.115 5.826 -2.492 1.00 90.39 4 A 1 ATOM 33 C CE1 . PHE A 1 4 ? -2.271 7.524 -2.938 1.00 89.27 4 A 1 ATOM 34 C CE2 . PHE A 1 4 ? -0.654 5.952 -3.773 1.00 89.79 4 A 1 ATOM 35 C CZ . PHE A 1 4 ? -1.731 6.801 -3.996 1.00 89.24 4 A 1 ATOM 36 N N . LEU A 1 5 ? 0.209 4.164 2.468 1.00 97.25 5 A 1 ATOM 37 C CA . LEU A 1 5 ? 0.903 2.967 2.950 1.00 97.22 5 A 1 ATOM 38 C C . LEU A 1 5 ? 0.034 1.708 2.837 1.00 97.41 5 A 1 ATOM 39 O O . LEU A 1 5 ? 0.506 0.692 2.313 1.00 97.25 5 A 1 ATOM 40 C CB . LEU A 1 5 ? 1.351 3.188 4.399 1.00 96.77 5 A 1 ATOM 41 C CG . LEU A 1 5 ? 2.629 2.429 4.748 1.00 90.54 5 A 1 ATOM 42 C CD1 . LEU A 1 5 ? 3.848 3.216 4.279 1.00 87.39 5 A 1 ATOM 43 C CD2 . LEU A 1 5 ? 2.701 2.214 6.254 1.00 87.87 5 A 1 ATOM 44 N N . PRO A 1 6 ? -1.215 1.736 3.296 1.00 97.00 6 A 1 ATOM 45 C CA . PRO A 1 6 ? -2.078 0.550 3.209 1.00 96.98 6 A 1 ATOM 46 C C . PRO A 1 6 ? -2.383 0.158 1.768 1.00 97.35 6 A 1 ATOM 47 O O . PRO A 1 6 ? -2.500 -1.025 1.456 1.00 96.74 6 A 1 ATOM 48 C CB . PRO A 1 6 ? -3.350 0.972 3.955 1.00 95.65 6 A 1 ATOM 49 C CG . PRO A 1 6 ? -3.337 2.458 3.945 1.00 94.02 6 A 1 ATOM 50 C CD . PRO A 1 6 ? -1.890 2.845 3.982 1.00 96.16 6 A 1 ATOM 51 N N . CYS A 1 7 ? -2.496 1.141 0.888 1.00 97.46 7 A 1 ATOM 52 C CA . CYS A 1 7 ? -2.764 0.876 -0.525 1.00 97.70 7 A 1 ATOM 53 C C . CYS A 1 7 ? -1.570 0.174 -1.176 1.00 97.92 7 A 1 ATOM 54 O O . CYS A 1 7 ? -1.735 -0.759 -1.953 1.00 97.48 7 A 1 ATOM 55 C CB . CYS A 1 7 ? -3.051 2.191 -1.251 1.00 97.43 7 A 1 ATOM 56 S SG . CYS A 1 7 ? -4.705 2.820 -0.893 1.00 94.13 7 A 1 ATOM 57 N N . LEU A 1 8 ? -0.378 0.641 -0.838 1.00 97.16 8 A 1 ATOM 58 C CA . LEU A 1 8 ? 0.847 0.049 -1.378 1.00 97.21 8 A 1 ATOM 59 C C . LEU A 1 8 ? 1.026 -1.372 -0.851 1.00 97.53 8 A 1 ATOM 60 O O . LEU A 1 8 ? 1.426 -2.271 -1.586 1.00 97.49 8 A 1 ATOM 61 C CB . LEU A 1 8 ? 2.049 0.914 -0.980 1.00 97.09 8 A 1 ATOM 62 C CG . LEU A 1 8 ? 3.228 0.756 -1.940 1.00 93.15 8 A 1 ATOM 63 C CD1 . LEU A 1 8 ? 3.250 1.911 -2.945 1.00 90.08 8 A 1 ATOM 64 C CD2 . LEU A 1 8 ? 4.542 0.731 -1.171 1.00 91.36 8 A 1 ATOM 65 N N . PHE A 1 9 ? 0.728 -1.570 0.415 1.00 96.65 9 A 1 ATOM 66 C CA . PHE A 1 9 ? 0.840 -2.879 1.050 1.00 96.68 9 A 1 ATOM 67 C C . PHE A 1 9 ? -0.118 -3.876 0.398 1.00 97.12 9 A 1 ATOM 68 O O . PHE A 1 9 ? 0.255 -5.016 0.123 1.00 97.03 9 A 1 ATOM 69 C CB . PHE A 1 9 ? 0.533 -2.735 2.538 1.00 96.40 9 A 1 ATOM 70 C CG . PHE A 1 9 ? 1.042 -3.893 3.356 1.00 95.03 9 A 1 ATOM 71 C CD1 . PHE A 1 9 ? 2.402 -4.039 3.606 1.00 92.59 9 A 1 ATOM 72 C CD2 . PHE A 1 9 ? 0.149 -4.826 3.874 1.00 93.45 9 A 1 ATOM 73 C CE1 . PHE A 1 9 ? 2.872 -5.109 4.362 1.00 92.89 9 A 1 ATOM 74 C CE2 . PHE A 1 9 ? 0.616 -5.902 4.631 1.00 92.82 9 A 1 ATOM 75 C CZ . PHE A 1 9 ? 1.976 -6.041 4.873 1.00 93.43 9 A 1 ATOM 76 N N . PHE A 1 10 ? -1.331 -3.440 0.146 1.00 97.23 10 A 1 ATOM 77 C CA . PHE A 1 10 ? -2.341 -4.284 -0.488 1.00 97.19 10 A 1 ATOM 78 C C . PHE A 1 10 ? -1.914 -4.652 -1.910 1.00 97.60 10 A 1 ATOM 79 O O . PHE A 1 10 ? -2.093 -5.790 -2.343 1.00 97.28 10 A 1 ATOM 80 C CB . PHE A 1 10 ? -3.677 -3.543 -0.510 1.00 96.82 10 A 1 ATOM 81 C CG . PHE A 1 10 ? -4.854 -4.483 -0.505 1.00 95.45 10 A 1 ATOM 82 C CD1 . PHE A 1 10 ? -5.397 -4.947 -1.697 1.00 93.26 10 A 1 ATOM 83 C CD2 . PHE A 1 10 ? -5.403 -4.903 0.703 1.00 93.85 10 A 1 ATOM 84 C CE1 . PHE A 1 10 ? -6.477 -5.820 -1.688 1.00 93.00 10 A 1 ATOM 85 C CE2 . PHE A 1 10 ? -6.486 -5.778 0.716 1.00 92.93 10 A 1 ATOM 86 C CZ . PHE A 1 10 ? -7.020 -6.235 -0.478 1.00 93.57 10 A 1 ATOM 87 N N . LEU A 1 11 ? -1.345 -3.689 -2.613 1.00 97.55 11 A 1 ATOM 88 C CA . LEU A 1 11 ? -0.862 -3.919 -3.976 1.00 97.54 11 A 1 ATOM 89 C C . LEU A 1 11 ? 0.303 -4.906 -3.971 1.00 97.91 11 A 1 ATOM 90 O O . LEU A 1 11 ? 0.399 -5.770 -4.839 1.00 97.77 11 A 1 ATOM 91 C CB . LEU A 1 11 ? -0.425 -2.579 -4.583 1.00 97.33 11 A 1 ATOM 92 C CG . LEU A 1 11 ? -1.407 -2.043 -5.627 1.00 92.70 11 A 1 ATOM 93 C CD1 . LEU A 1 11 ? -1.394 -0.522 -5.666 1.00 91.20 11 A 1 ATOM 94 C CD2 . LEU A 1 11 ? -1.043 -2.596 -7.004 1.00 92.46 11 A 1 ATOM 95 N N . LEU A 1 12 ? 1.174 -4.781 -2.989 1.00 97.75 12 A 1 ATOM 96 C CA . LEU A 1 12 ? 2.338 -5.661 -2.872 1.00 97.71 12 A 1 ATOM 97 C C . LEU A 1 12 ? 1.902 -7.106 -2.633 1.00 97.99 12 A 1 ATOM 98 O O . LEU A 1 12 ? 2.470 -8.036 -3.207 1.00 97.73 12 A 1 ATOM 99 C CB . LEU A 1 12 ? 3.224 -5.172 -1.721 1.00 97.31 12 A 1 ATOM 100 C CG . LEU A 1 12 ? 4.715 -5.318 -2.024 1.00 92.99 12 A 1 ATOM 101 C CD1 . LEU A 1 12 ? 5.404 -3.955 -1.974 1.00 90.60 12 A 1 ATOM 102 C CD2 . LEU A 1 12 ? 5.370 -6.251 -1.015 1.00 91.73 12 A 1 ATOM 103 N N . ILE A 1 13 ? 0.897 -7.289 -1.809 1.00 98.11 13 A 1 ATOM 104 C CA . ILE A 1 13 ? 0.377 -8.622 -1.505 1.00 98.06 13 A 1 ATOM 105 C C . ILE A 1 13 ? -0.346 -9.208 -2.720 1.00 98.25 13 A 1 ATOM 106 O O . ILE A 1 13 ? -0.269 -10.408 -2.982 1.00 97.82 13 A 1 ATOM 107 C CB . ILE A 1 13 ? -0.565 -8.550 -0.285 1.00 97.72 13 A 1 ATOM 108 C CG1 . ILE A 1 13 ? 0.230 -8.211 0.986 1.00 96.59 13 A 1 ATOM 109 C CG2 . ILE A 1 13 ? -1.288 -9.889 -0.091 1.00 96.10 13 A 1 ATOM 110 C CD1 . ILE A 1 13 ? -0.654 -7.675 2.097 1.00 93.92 13 A 1 ATOM 111 N N . LEU A 1 14 ? -1.037 -8.361 -3.449 1.00 98.23 14 A 1 ATOM 112 C CA . LEU A 1 14 ? -1.790 -8.792 -4.630 1.00 98.14 14 A 1 ATOM 113 C C . LEU A 1 14 ? -0.850 -9.199 -5.762 1.00 98.21 14 A 1 ATOM 114 O O . LEU A 1 14 ? -1.115 -10.160 -6.487 1.00 97.76 14 A 1 ATOM 115 C CB . LEU A 1 14 ? -2.711 -7.645 -5.073 1.00 97.87 14 A 1 ATOM 116 C CG . LEU A 1 14 ? -4.110 -8.117 -5.468 1.00 95.79 14 A 1 ATOM 117 C CD1 . LEU A 1 14 ? -5.161 -7.111 -5.015 1.00 92.81 14 A 1 ATOM 118 C CD2 . LEU A 1 14 ? -4.208 -8.319 -6.967 1.00 92.92 14 A 1 ATOM 119 N N . VAL A 1 15 ? 0.231 -8.474 -5.921 1.00 97.94 15 A 1 ATOM 120 C CA . VAL A 1 15 ? 1.208 -8.751 -6.976 1.00 97.79 15 A 1 ATOM 121 C C . VAL A 1 15 ? 2.122 -9.912 -6.580 1.00 97.95 15 A 1 ATOM 122 O O . VAL A 1 15 ? 2.569 -10.681 -7.441 1.00 96.85 15 A 1 ATOM 123 C CB . VAL A 1 15 ? 2.037 -7.476 -7.281 1.00 96.96 15 A 1 ATOM 124 C CG1 . VAL A 1 15 ? 3.159 -7.756 -8.272 1.00 92.54 15 A 1 ATOM 125 C CG2 . VAL A 1 15 ? 1.144 -6.380 -7.856 1.00 91.57 15 A 1 ATOM 126 N N . GLY A 1 16 ? 2.418 -10.024 -5.306 1.00 93.59 16 A 1 ATOM 127 C CA . GLY A 1 16 ? 3.276 -11.097 -4.793 1.00 93.77 16 A 1 ATOM 128 C C . GLY A 1 16 ? 2.583 -12.443 -4.813 1.00 91.35 16 A 1 ATOM 129 O O . GLY A 1 16 ? 3.156 -13.406 -5.359 1.00 87.08 16 A 1 ATOM 130 O OXT . GLY A 1 16 ? 1.499 -12.540 -4.274 1.00 91.46 16 A 1 #