# 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_spkb35485 # _entry.id spkb35485 # 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 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "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" "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 ASN 2 1 n ARG 3 1 n LEU 4 1 n PHE 5 1 n ARG 6 1 n LEU 7 1 n LEU 8 1 n PRO 9 1 n LEU 10 1 n ALA 11 1 n SER 12 1 n LEU 13 1 n VAL 14 1 n LEU 15 1 n THR 16 1 n ALA 17 # _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 @ 2025-07-02 23:16:39)" _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 87.46 _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 78.35 1 1 A ASN 2 2 83.56 1 2 A ARG 3 2 81.44 1 3 A LEU 4 2 86.83 1 4 A PHE 5 2 84.98 1 5 A ARG 6 2 84.98 1 6 A LEU 7 2 90.92 1 7 A LEU 8 2 90.23 1 8 A PRO 9 2 93.43 1 9 A LEU 10 2 89.58 1 10 A ALA 11 2 93.34 1 11 A SER 12 2 92.77 1 12 A LEU 13 2 89.92 1 13 A VAL 14 2 91.94 1 14 A LEU 15 2 88.80 1 15 A THR 16 2 88.23 1 16 A ALA 17 2 86.22 1 17 # _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 ARG . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n ALA . 17 A 17 # _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 ? -0.073 -3.336 11.535 1.00 84.44 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.247 -4.202 10.360 1.00 85.91 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.873 -3.424 9.199 1.00 86.28 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.552 -3.644 8.035 1.00 84.09 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.142 -5.397 10.692 1.00 80.26 1 A 1 ATOM 6 C CG . MET A 1 1 ? -0.681 -6.170 11.929 1.00 74.25 1 A 1 ATOM 7 S SD . MET A 1 1 ? -1.421 -5.554 13.429 1.00 69.60 1 A 1 ATOM 8 C CE . MET A 1 1 ? -1.213 -6.970 14.502 1.00 61.95 1 A 1 ATOM 9 N N . ASN A 1 2 ? -1.759 -2.504 9.532 1.00 86.52 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -2.418 -1.686 8.521 1.00 88.27 2 A 1 ATOM 11 C C . ASN A 1 2 ? -1.683 -0.374 8.269 1.00 89.51 2 A 1 ATOM 12 O O . ASN A 1 2 ? -2.269 0.593 7.804 1.00 88.06 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -3.860 -1.409 8.959 1.00 85.40 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -3.927 -0.733 10.320 1.00 79.74 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -3.938 0.479 10.421 1.00 76.41 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -3.988 -1.528 11.373 1.00 74.53 2 A 1 ATOM 17 N N . ARG A 1 3 ? -0.400 -0.353 8.582 1.00 90.08 3 A 1 ATOM 18 C CA . ARG A 1 3 ? 0.403 0.853 8.403 1.00 90.76 3 A 1 ATOM 19 C C . ARG A 1 3 ? 1.266 0.733 7.152 1.00 92.69 3 A 1 ATOM 20 O O . ARG A 1 3 ? 0.880 1.150 6.067 1.00 90.31 3 A 1 ATOM 21 C CB . ARG A 1 3 ? 1.273 1.093 9.650 1.00 88.36 3 A 1 ATOM 22 C CG . ARG A 1 3 ? 0.443 1.324 10.906 1.00 82.50 3 A 1 ATOM 23 C CD . ARG A 1 3 ? -0.318 2.640 10.822 1.00 80.17 3 A 1 ATOM 24 N NE . ARG A 1 3 ? -1.428 2.695 11.772 1.00 75.24 3 A 1 ATOM 25 C CZ . ARG A 1 3 ? -2.242 3.729 11.905 1.00 72.62 3 A 1 ATOM 26 N NH1 . ARG A 1 3 ? -2.077 4.806 11.165 1.00 66.98 3 A 1 ATOM 27 N NH2 . ARG A 1 3 ? -3.237 3.683 12.774 1.00 66.09 3 A 1 ATOM 28 N N . LEU A 1 4 ? 2.445 0.150 7.333 1.00 90.15 4 A 1 ATOM 29 C CA . LEU A 1 4 ? 3.354 -0.049 6.207 1.00 89.85 4 A 1 ATOM 30 C C . LEU A 1 4 ? 2.828 -1.124 5.256 1.00 91.74 4 A 1 ATOM 31 O O . LEU A 1 4 ? 3.033 -1.052 4.045 1.00 90.69 4 A 1 ATOM 32 C CB . LEU A 1 4 ? 4.747 -0.442 6.721 1.00 89.20 4 A 1 ATOM 33 C CG . LEU A 1 4 ? 4.704 -1.452 7.867 1.00 84.93 4 A 1 ATOM 34 C CD1 . LEU A 1 4 ? 5.662 -2.607 7.594 1.00 79.14 4 A 1 ATOM 35 C CD2 . LEU A 1 4 ? 5.085 -0.773 9.171 1.00 78.90 4 A 1 ATOM 36 N N . PHE A 1 5 ? 2.129 -2.104 5.823 1.00 89.54 5 A 1 ATOM 37 C CA . PHE A 1 5 ? 1.578 -3.196 5.025 1.00 89.66 5 A 1 ATOM 38 C C . PHE A 1 5 ? 0.330 -2.748 4.267 1.00 91.61 5 A 1 ATOM 39 O O . PHE A 1 5 ? -0.160 -3.449 3.389 1.00 90.14 5 A 1 ATOM 40 C CB . PHE A 1 5 ? 1.238 -4.369 5.949 1.00 88.76 5 A 1 ATOM 41 C CG . PHE A 1 5 ? 1.086 -5.666 5.207 1.00 84.69 5 A 1 ATOM 42 C CD1 . PHE A 1 5 ? 2.187 -6.285 4.639 1.00 81.16 5 A 1 ATOM 43 C CD2 . PHE A 1 5 ? -0.158 -6.261 5.079 1.00 80.80 5 A 1 ATOM 44 C CE1 . PHE A 1 5 ? 2.047 -7.477 3.951 1.00 79.11 5 A 1 ATOM 45 C CE2 . PHE A 1 5 ? -0.302 -7.458 4.387 1.00 80.00 5 A 1 ATOM 46 C CZ . PHE A 1 5 ? 0.804 -8.065 3.823 1.00 79.34 5 A 1 ATOM 47 N N . ARG A 1 6 ? -0.191 -1.580 4.607 1.00 92.33 6 A 1 ATOM 48 C CA . ARG A 1 6 ? -1.381 -1.040 3.960 1.00 92.77 6 A 1 ATOM 49 C C . ARG A 1 6 ? -1.008 0.048 2.965 1.00 93.95 6 A 1 ATOM 50 O O . ARG A 1 6 ? -1.681 0.236 1.956 1.00 92.28 6 A 1 ATOM 51 C CB . ARG A 1 6 ? -2.324 -0.477 5.029 1.00 91.87 6 A 1 ATOM 52 C CG . ARG A 1 6 ? -3.719 -0.236 4.529 1.00 86.44 6 A 1 ATOM 53 C CD . ARG A 1 6 ? -4.567 -1.493 4.641 1.00 83.91 6 A 1 ATOM 54 N NE . ARG A 1 6 ? -4.521 -2.285 3.425 1.00 79.85 6 A 1 ATOM 55 C CZ . ARG A 1 6 ? -5.189 -3.422 3.268 1.00 77.20 6 A 1 ATOM 56 N NH1 . ARG A 1 6 ? -5.941 -3.906 4.236 1.00 72.25 6 A 1 ATOM 57 N NH2 . ARG A 1 6 ? -5.101 -4.080 2.133 1.00 71.89 6 A 1 ATOM 58 N N . LEU A 1 7 ? 0.057 0.756 3.267 1.00 92.88 7 A 1 ATOM 59 C CA . LEU A 1 7 ? 0.522 1.833 2.401 1.00 93.06 7 A 1 ATOM 60 C C . LEU A 1 7 ? 1.109 1.285 1.104 1.00 94.18 7 A 1 ATOM 61 O O . LEU A 1 7 ? 0.947 1.886 0.042 1.00 92.70 7 A 1 ATOM 62 C CB . LEU A 1 7 ? 1.577 2.660 3.141 1.00 92.96 7 A 1 ATOM 63 C CG . LEU A 1 7 ? 1.023 3.453 4.324 1.00 90.30 7 A 1 ATOM 64 C CD1 . LEU A 1 7 ? 2.161 3.950 5.205 1.00 85.83 7 A 1 ATOM 65 C CD2 . LEU A 1 7 ? 0.203 4.636 3.826 1.00 85.45 7 A 1 ATOM 66 N N . LEU A 1 8 ? 1.774 0.166 1.210 1.00 93.82 8 A 1 ATOM 67 C CA . LEU A 1 8 ? 2.386 -0.457 0.041 1.00 93.49 8 A 1 ATOM 68 C C . LEU A 1 8 ? 1.335 -0.883 -0.990 1.00 94.29 8 A 1 ATOM 69 O O . LEU A 1 8 ? 1.414 -0.486 -2.152 1.00 93.30 8 A 1 ATOM 70 C CB . LEU A 1 8 ? 3.236 -1.657 0.477 1.00 92.92 8 A 1 ATOM 71 C CG . LEU A 1 8 ? 4.211 -2.142 -0.586 1.00 88.25 8 A 1 ATOM 72 C CD1 . LEU A 1 8 ? 5.325 -1.118 -0.783 1.00 82.96 8 A 1 ATOM 73 C CD2 . LEU A 1 8 ? 4.802 -3.483 -0.177 1.00 82.78 8 A 1 ATOM 74 N N . PRO A 1 9 ? 0.356 -1.685 -0.590 1.00 94.16 9 A 1 ATOM 75 C CA . PRO A 1 9 ? -0.686 -2.138 -1.518 1.00 93.98 9 A 1 ATOM 76 C C . PRO A 1 9 ? -1.629 -1.013 -1.930 1.00 94.81 9 A 1 ATOM 77 O O . PRO A 1 9 ? -2.187 -1.034 -3.025 1.00 93.56 9 A 1 ATOM 78 C CB . PRO A 1 9 ? -1.428 -3.217 -0.717 1.00 92.30 9 A 1 ATOM 79 C CG . PRO A 1 9 ? -1.207 -2.836 0.705 1.00 91.51 9 A 1 ATOM 80 C CD . PRO A 1 9 ? 0.182 -2.249 0.750 1.00 93.69 9 A 1 ATOM 81 N N . LEU A 1 10 ? -1.782 -0.038 -1.075 1.00 93.01 10 A 1 ATOM 82 C CA . LEU A 1 10 ? -2.652 1.096 -1.358 1.00 92.83 10 A 1 ATOM 83 C C . LEU A 1 10 ? -2.121 1.888 -2.548 1.00 93.87 10 A 1 ATOM 84 O O . LEU A 1 10 ? -2.889 2.417 -3.354 1.00 92.50 10 A 1 ATOM 85 C CB . LEU A 1 10 ? -2.749 1.986 -0.118 1.00 91.76 10 A 1 ATOM 86 C CG . LEU A 1 10 ? -4.078 2.722 0.002 1.00 86.86 10 A 1 ATOM 87 C CD1 . LEU A 1 10 ? -4.319 3.138 1.444 1.00 82.90 10 A 1 ATOM 88 C CD2 . LEU A 1 10 ? -4.099 3.942 -0.898 1.00 82.90 10 A 1 ATOM 89 N N . ALA A 1 11 ? -0.820 1.960 -2.653 1.00 93.56 11 A 1 ATOM 90 C CA . ALA A 1 11 ? -0.184 2.668 -3.760 1.00 93.46 11 A 1 ATOM 91 C C . ALA A 1 11 ? -0.564 2.036 -5.095 1.00 94.55 11 A 1 ATOM 92 O O . ALA A 1 11 ? -0.787 2.735 -6.082 1.00 92.96 11 A 1 ATOM 93 C CB . ALA A 1 11 ? 1.328 2.648 -3.575 1.00 92.19 11 A 1 ATOM 94 N N . SER A 1 12 ? -0.644 0.729 -5.120 1.00 94.82 12 A 1 ATOM 95 C CA . SER A 1 12 ? -1.010 0.004 -6.334 1.00 94.99 12 A 1 ATOM 96 C C . SER A 1 12 ? -2.479 0.232 -6.683 1.00 95.31 12 A 1 ATOM 97 O O . SER A 1 12 ? -2.839 0.348 -7.851 1.00 93.05 12 A 1 ATOM 98 C CB . SER A 1 12 ? -0.749 -1.488 -6.150 1.00 93.68 12 A 1 ATOM 99 O OG . SER A 1 12 ? 0.598 -1.798 -6.424 1.00 84.78 12 A 1 ATOM 100 N N . LEU A 1 13 ? -3.308 0.309 -5.672 1.00 93.27 13 A 1 ATOM 101 C CA . LEU A 1 13 ? -4.737 0.533 -5.867 1.00 92.82 13 A 1 ATOM 102 C C . LEU A 1 13 ? -4.980 1.896 -6.509 1.00 93.90 13 A 1 ATOM 103 O O . LEU A 1 13 ? -5.805 2.034 -7.413 1.00 91.93 13 A 1 ATOM 104 C CB . LEU A 1 13 ? -5.458 0.430 -4.521 1.00 92.16 13 A 1 ATOM 105 C CG . LEU A 1 13 ? -6.968 0.264 -4.639 1.00 87.57 13 A 1 ATOM 106 C CD1 . LEU A 1 13 ? -7.496 -0.507 -3.436 1.00 83.62 13 A 1 ATOM 107 C CD2 . LEU A 1 13 ? -7.653 1.612 -4.722 1.00 84.08 13 A 1 ATOM 108 N N . VAL A 1 14 ? -4.268 2.891 -6.056 1.00 94.43 14 A 1 ATOM 109 C CA . VAL A 1 14 ? -4.394 4.243 -6.595 1.00 94.01 14 A 1 ATOM 110 C C . VAL A 1 14 ? -3.892 4.294 -8.033 1.00 94.43 14 A 1 ATOM 111 O O . VAL A 1 14 ? -4.389 5.068 -8.854 1.00 92.70 14 A 1 ATOM 112 C CB . VAL A 1 14 ? -3.606 5.244 -5.730 1.00 92.56 14 A 1 ATOM 113 C CG1 . VAL A 1 14 ? -3.713 6.651 -6.299 1.00 87.76 14 A 1 ATOM 114 C CG2 . VAL A 1 14 ? -4.109 5.221 -4.300 1.00 87.69 14 A 1 ATOM 115 N N . LEU A 1 15 ? -2.913 3.480 -8.327 1.00 92.21 15 A 1 ATOM 116 C CA . LEU A 1 15 ? -2.337 3.421 -9.662 1.00 91.83 15 A 1 ATOM 117 C C . LEU A 1 15 ? -3.332 2.814 -10.649 1.00 92.58 15 A 1 ATOM 118 O O . LEU A 1 15 ? -3.417 3.241 -11.807 1.00 90.14 15 A 1 ATOM 119 C CB . LEU A 1 15 ? -1.041 2.597 -9.621 1.00 90.71 15 A 1 ATOM 120 C CG . LEU A 1 15 ? -0.061 2.855 -10.763 1.00 87.36 15 A 1 ATOM 121 C CD1 . LEU A 1 15 ? -0.644 2.435 -12.097 1.00 82.79 15 A 1 ATOM 122 C CD2 . LEU A 1 15 ? 0.338 4.319 -10.784 1.00 82.79 15 A 1 ATOM 123 N N . THR A 1 16 ? -4.079 1.837 -10.198 1.00 92.12 16 A 1 ATOM 124 C CA . THR A 1 16 ? -5.060 1.158 -11.047 1.00 91.18 16 A 1 ATOM 125 C C . THR A 1 16 ? -6.479 1.684 -10.820 1.00 91.61 16 A 1 ATOM 126 O O . THR A 1 16 ? -7.465 1.024 -11.143 1.00 88.30 16 A 1 ATOM 127 C CB . THR A 1 16 ? -5.028 -0.354 -10.783 1.00 88.99 16 A 1 ATOM 128 O OG1 . THR A 1 16 ? -3.684 -0.777 -10.548 1.00 83.21 16 A 1 ATOM 129 C CG2 . THR A 1 16 ? -5.576 -1.120 -11.973 1.00 82.21 16 A 1 ATOM 130 N N . ALA A 1 17 ? -6.574 2.868 -10.273 1.00 91.97 17 A 1 ATOM 131 C CA . ALA A 1 17 ? -7.879 3.449 -9.991 1.00 89.75 17 A 1 ATOM 132 C C . ALA A 1 17 ? -7.941 4.907 -10.430 1.00 87.78 17 A 1 ATOM 133 O O . ALA A 1 17 ? -6.882 5.562 -10.505 1.00 84.15 17 A 1 ATOM 134 C CB . ALA A 1 17 ? -8.194 3.322 -8.506 1.00 86.21 17 A 1 ATOM 135 O OXT . ALA A 1 17 ? -9.052 5.401 -10.674 1.00 77.44 17 A 1 #