# 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_spkb16889 # _entry.id spkb16889 # 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" "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" "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" # _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 THR 4 1 n ALA 5 1 n PHE 6 1 n CYS 7 1 n CYS 8 1 n LEU 9 1 n SER 10 1 n LEU 11 1 n THR 12 1 n THR 13 1 n ALA 14 1 n LEU 15 1 n ILE 16 1 n LEU 17 1 n THR 18 1 n ALA 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 10:42:40)" _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 93.74 _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 82.52 1 1 A ASN 2 2 87.14 1 2 A ARG 3 2 86.44 1 3 A THR 4 2 92.57 1 4 A ALA 5 2 97.12 1 5 A PHE 6 2 94.02 1 6 A CYS 7 2 95.96 1 7 A CYS 8 2 96.14 1 8 A LEU 9 2 95.26 1 9 A SER 10 2 96.77 1 10 A LEU 11 2 95.75 1 11 A THR 12 2 96.58 1 12 A THR 13 2 96.71 1 13 A ALA 14 2 98.25 1 14 A LEU 15 2 96.55 1 15 A ILE 16 2 97.43 1 16 A LEU 17 2 95.43 1 17 A THR 18 2 95.07 1 18 A ALA 19 2 93.58 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 ASN . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n CYS . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n ALA . 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 ? -15.161 -4.385 0.478 1.00 88.54 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.735 -4.812 1.822 1.00 89.12 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.264 -4.450 2.056 1.00 90.75 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.374 -5.163 1.616 1.00 87.82 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.932 -6.321 1.977 1.00 85.12 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.917 -6.776 3.424 1.00 80.70 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.436 -8.492 3.590 1.00 74.03 1 A 1 ATOM 8 C CE . MET A 1 1 ? -15.434 -8.662 5.372 1.00 64.10 1 A 1 ATOM 9 N N . ASN A 1 2 ? -13.034 -3.331 2.735 1.00 90.12 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -11.680 -2.877 3.054 1.00 92.03 2 A 1 ATOM 11 C C . ASN A 1 2 ? -10.746 -2.908 1.843 1.00 92.93 2 A 1 ATOM 12 O O . ASN A 1 2 ? -9.712 -3.571 1.848 1.00 92.00 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -11.106 -3.723 4.198 1.00 89.36 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -11.181 -3.014 5.540 1.00 83.50 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -10.383 -2.147 5.844 1.00 79.67 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -12.150 -3.392 6.351 1.00 77.47 2 A 1 ATOM 17 N N . ARG A 1 3 ? -11.134 -2.200 0.800 1.00 95.00 3 A 1 ATOM 18 C CA . ARG A 1 3 ? -10.317 -2.146 -0.416 1.00 95.97 3 A 1 ATOM 19 C C . ARG A 1 3 ? -9.414 -0.925 -0.408 1.00 96.85 3 A 1 ATOM 20 O O . ARG A 1 3 ? -8.299 -0.967 -0.918 1.00 95.61 3 A 1 ATOM 21 C CB . ARG A 1 3 ? -11.227 -2.127 -1.636 1.00 94.41 3 A 1 ATOM 22 C CG . ARG A 1 3 ? -11.512 -3.527 -2.137 1.00 89.36 3 A 1 ATOM 23 C CD . ARG A 1 3 ? -12.581 -3.511 -3.204 1.00 84.88 3 A 1 ATOM 24 N NE . ARG A 1 3 ? -12.491 -4.703 -4.044 1.00 79.21 3 A 1 ATOM 25 C CZ . ARG A 1 3 ? -13.513 -5.213 -4.716 1.00 77.82 3 A 1 ATOM 26 N NH1 . ARG A 1 3 ? -14.713 -4.681 -4.635 1.00 72.12 3 A 1 ATOM 27 N NH2 . ARG A 1 3 ? -13.323 -6.267 -5.485 1.00 69.64 3 A 1 ATOM 28 N N . THR A 1 4 ? -9.887 0.146 0.187 1.00 94.24 4 A 1 ATOM 29 C CA . THR A 1 4 ? -9.112 1.379 0.263 1.00 94.61 4 A 1 ATOM 30 C C . THR A 1 4 ? -7.901 1.218 1.176 1.00 95.51 4 A 1 ATOM 31 O O . THR A 1 4 ? -6.900 1.911 1.013 1.00 94.86 4 A 1 ATOM 32 C CB . THR A 1 4 ? -9.997 2.533 0.758 1.00 93.95 4 A 1 ATOM 33 O OG1 . THR A 1 4 ? -9.304 3.764 0.571 1.00 88.44 4 A 1 ATOM 34 C CG2 . THR A 1 4 ? -10.350 2.385 2.227 1.00 86.38 4 A 1 ATOM 35 N N . ALA A 1 5 ? -7.998 0.295 2.129 1.00 97.04 5 A 1 ATOM 36 C CA . ALA A 1 5 ? -6.905 0.036 3.063 1.00 97.27 5 A 1 ATOM 37 C C . ALA A 1 5 ? -5.670 -0.481 2.329 1.00 97.58 5 A 1 ATOM 38 O O . ALA A 1 5 ? -4.554 -0.040 2.589 1.00 97.02 5 A 1 ATOM 39 C CB . ALA A 1 5 ? -7.354 -0.970 4.115 1.00 96.69 5 A 1 ATOM 40 N N . PHE A 1 6 ? -5.874 -1.413 1.405 1.00 96.79 6 A 1 ATOM 41 C CA . PHE A 1 6 ? -4.772 -1.980 0.636 1.00 96.87 6 A 1 ATOM 42 C C . PHE A 1 6 ? -4.274 -0.990 -0.409 1.00 97.23 6 A 1 ATOM 43 O O . PHE A 1 6 ? -3.073 -0.892 -0.654 1.00 96.89 6 A 1 ATOM 44 C CB . PHE A 1 6 ? -5.222 -3.277 -0.032 1.00 96.49 6 A 1 ATOM 45 C CG . PHE A 1 6 ? -4.069 -4.072 -0.579 1.00 94.16 6 A 1 ATOM 46 C CD1 . PHE A 1 6 ? -3.271 -4.830 0.268 1.00 91.69 6 A 1 ATOM 47 C CD2 . PHE A 1 6 ? -3.788 -4.062 -1.932 1.00 91.83 6 A 1 ATOM 48 C CE1 . PHE A 1 6 ? -2.204 -5.560 -0.229 1.00 90.81 6 A 1 ATOM 49 C CE2 . PHE A 1 6 ? -2.716 -4.789 -2.439 1.00 90.69 6 A 1 ATOM 50 C CZ . PHE A 1 6 ? -1.928 -5.538 -1.585 1.00 90.74 6 A 1 ATOM 51 N N . CYS A 1 7 ? -5.190 -0.259 -1.010 1.00 97.12 7 A 1 ATOM 52 C CA . CYS A 1 7 ? -4.833 0.727 -2.027 1.00 97.20 7 A 1 ATOM 53 C C . CYS A 1 7 ? -4.004 1.866 -1.438 1.00 97.63 7 A 1 ATOM 54 O O . CYS A 1 7 ? -3.023 2.296 -2.033 1.00 97.07 7 A 1 ATOM 55 C CB . CYS A 1 7 ? -6.099 1.281 -2.677 1.00 96.43 7 A 1 ATOM 56 S SG . CYS A 1 7 ? -6.790 0.159 -3.913 1.00 90.33 7 A 1 ATOM 57 N N . CYS A 1 8 ? -4.416 2.341 -0.280 1.00 96.95 8 A 1 ATOM 58 C CA . CYS A 1 8 ? -3.717 3.440 0.378 1.00 97.31 8 A 1 ATOM 59 C C . CYS A 1 8 ? -2.364 2.990 0.925 1.00 97.68 8 A 1 ATOM 60 O O . CYS A 1 8 ? -1.374 3.713 0.830 1.00 97.01 8 A 1 ATOM 61 C CB . CYS A 1 8 ? -4.588 4.000 1.506 1.00 96.52 8 A 1 ATOM 62 S SG . CYS A 1 8 ? -4.160 5.701 1.921 1.00 91.40 8 A 1 ATOM 63 N N . LEU A 1 9 ? -2.340 1.801 1.496 1.00 97.63 9 A 1 ATOM 64 C CA . LEU A 1 9 ? -1.110 1.257 2.066 1.00 97.59 9 A 1 ATOM 65 C C . LEU A 1 9 ? -0.125 0.853 0.977 1.00 98.00 9 A 1 ATOM 66 O O . LEU A 1 9 ? 1.067 1.142 1.072 1.00 97.90 9 A 1 ATOM 67 C CB . LEU A 1 9 ? -1.433 0.046 2.946 1.00 97.45 9 A 1 ATOM 68 C CG . LEU A 1 9 ? -0.326 -0.306 3.934 1.00 92.85 9 A 1 ATOM 69 C CD1 . LEU A 1 9 ? -0.572 0.381 5.271 1.00 89.73 9 A 1 ATOM 70 C CD2 . LEU A 1 9 ? -0.244 -1.808 4.128 1.00 90.90 9 A 1 ATOM 71 N N . SER A 1 10 ? -0.605 0.190 -0.052 1.00 97.89 10 A 1 ATOM 72 C CA . SER A 1 10 ? 0.249 -0.278 -1.143 1.00 97.89 10 A 1 ATOM 73 C C . SER A 1 10 ? 0.866 0.890 -1.901 1.00 98.19 10 A 1 ATOM 74 O O . SER A 1 10 ? 2.024 0.829 -2.309 1.00 97.89 10 A 1 ATOM 75 C CB . SER A 1 10 ? -0.554 -1.154 -2.102 1.00 97.32 10 A 1 ATOM 76 O OG . SER A 1 10 ? -1.517 -0.396 -2.783 1.00 91.41 10 A 1 ATOM 77 N N . LEU A 1 11 ? 0.102 1.953 -2.068 1.00 98.09 11 A 1 ATOM 78 C CA . LEU A 1 11 ? 0.577 3.129 -2.788 1.00 98.06 11 A 1 ATOM 79 C C . LEU A 1 11 ? 1.706 3.805 -2.023 1.00 98.38 11 A 1 ATOM 80 O O . LEU A 1 11 ? 2.714 4.204 -2.608 1.00 98.19 11 A 1 ATOM 81 C CB . LEU A 1 11 ? -0.587 4.094 -3.015 1.00 97.78 11 A 1 ATOM 82 C CG . LEU A 1 11 ? -0.507 4.841 -4.340 1.00 93.29 11 A 1 ATOM 83 C CD1 . LEU A 1 11 ? -1.898 5.057 -4.914 1.00 90.79 11 A 1 ATOM 84 C CD2 . LEU A 1 11 ? 0.195 6.171 -4.162 1.00 91.46 11 A 1 ATOM 85 N N . THR A 1 12 ? 1.542 3.922 -0.723 1.00 97.97 12 A 1 ATOM 86 C CA . THR A 1 12 ? 2.561 4.536 0.124 1.00 97.88 12 A 1 ATOM 87 C C . THR A 1 12 ? 3.802 3.651 0.203 1.00 98.15 12 A 1 ATOM 88 O O . THR A 1 12 ? 4.931 4.142 0.148 1.00 97.58 12 A 1 ATOM 89 C CB . THR A 1 12 ? 2.007 4.774 1.533 1.00 97.34 12 A 1 ATOM 90 O OG1 . THR A 1 12 ? 0.798 5.526 1.449 1.00 93.79 12 A 1 ATOM 91 C CG2 . THR A 1 12 ? 3.001 5.560 2.377 1.00 93.36 12 A 1 ATOM 92 N N . THR A 1 13 ? 3.594 2.353 0.321 1.00 98.19 13 A 1 ATOM 93 C CA . THR A 1 13 ? 4.702 1.401 0.406 1.00 98.01 13 A 1 ATOM 94 C C . THR A 1 13 ? 5.470 1.350 -0.911 1.00 98.22 13 A 1 ATOM 95 O O . THR A 1 13 ? 6.687 1.159 -0.923 1.00 97.80 13 A 1 ATOM 96 C CB . THR A 1 13 ? 4.177 0.004 0.749 1.00 97.52 13 A 1 ATOM 97 O OG1 . THR A 1 13 ? 3.408 0.066 1.947 1.00 93.64 13 A 1 ATOM 98 C CG2 . THR A 1 13 ? 5.323 -0.972 0.970 1.00 93.60 13 A 1 ATOM 99 N N . ALA A 1 14 ? 4.771 1.528 -2.011 1.00 98.38 14 A 1 ATOM 100 C CA . ALA A 1 14 ? 5.397 1.510 -3.330 1.00 98.31 14 A 1 ATOM 101 C C . ALA A 1 14 ? 6.431 2.626 -3.461 1.00 98.53 14 A 1 ATOM 102 O O . ALA A 1 14 ? 7.475 2.440 -4.083 1.00 98.09 14 A 1 ATOM 103 C CB . ALA A 1 14 ? 4.328 1.649 -4.407 1.00 97.94 14 A 1 ATOM 104 N N . LEU A 1 15 ? 6.150 3.767 -2.853 1.00 98.33 15 A 1 ATOM 105 C CA . LEU A 1 15 ? 7.064 4.903 -2.893 1.00 98.21 15 A 1 ATOM 106 C C . LEU A 1 15 ? 8.356 4.591 -2.144 1.00 98.43 15 A 1 ATOM 107 O O . LEU A 1 15 ? 9.438 5.005 -2.559 1.00 98.18 15 A 1 ATOM 108 C CB . LEU A 1 15 ? 6.389 6.129 -2.280 1.00 97.95 15 A 1 ATOM 109 C CG . LEU A 1 15 ? 5.183 6.642 -3.063 1.00 95.42 15 A 1 ATOM 110 C CD1 . LEU A 1 15 ? 4.415 7.665 -2.242 1.00 92.90 15 A 1 ATOM 111 C CD2 . LEU A 1 15 ? 5.628 7.269 -4.380 1.00 92.96 15 A 1 ATOM 112 N N . ILE A 1 16 ? 8.234 3.863 -1.056 1.00 98.27 16 A 1 ATOM 113 C CA . ILE A 1 16 ? 9.392 3.487 -0.246 1.00 98.13 16 A 1 ATOM 114 C C . ILE A 1 16 ? 10.265 2.487 -0.999 1.00 98.20 16 A 1 ATOM 115 O O . ILE A 1 16 ? 11.496 2.565 -0.962 1.00 97.82 16 A 1 ATOM 116 C CB . ILE A 1 16 ? 8.939 2.900 1.101 1.00 97.98 16 A 1 ATOM 117 C CG1 . ILE A 1 16 ? 8.101 3.923 1.878 1.00 97.15 16 A 1 ATOM 118 C CG2 . ILE A 1 16 ? 10.157 2.476 1.927 1.00 96.92 16 A 1 ATOM 119 C CD1 . ILE A 1 16 ? 7.347 3.320 3.043 1.00 94.95 16 A 1 ATOM 120 N N . LEU A 1 17 ? 9.627 1.546 -1.666 1.00 97.84 17 A 1 ATOM 121 C CA . LEU A 1 17 ? 10.350 0.524 -2.419 1.00 97.48 17 A 1 ATOM 122 C C . LEU A 1 17 ? 10.973 1.104 -3.683 1.00 97.77 17 A 1 ATOM 123 O O . LEU A 1 17 ? 12.007 0.618 -4.151 1.00 97.23 17 A 1 ATOM 124 C CB . LEU A 1 17 ? 9.395 -0.619 -2.785 1.00 97.09 17 A 1 ATOM 125 C CG . LEU A 1 17 ? 8.914 -1.442 -1.594 1.00 94.48 17 A 1 ATOM 126 C CD1 . LEU A 1 17 ? 7.722 -2.305 -1.994 1.00 90.89 17 A 1 ATOM 127 C CD2 . LEU A 1 17 ? 10.037 -2.327 -1.069 1.00 90.63 17 A 1 ATOM 128 N N . THR A 1 18 ? 10.356 2.130 -4.232 1.00 97.39 18 A 1 ATOM 129 C CA . THR A 1 18 ? 10.848 2.777 -5.450 1.00 97.14 18 A 1 ATOM 130 C C . THR A 1 18 ? 12.017 3.714 -5.149 1.00 97.32 18 A 1 ATOM 131 O O . THR A 1 18 ? 12.820 4.020 -6.035 1.00 96.12 18 A 1 ATOM 132 C CB . THR A 1 18 ? 9.712 3.554 -6.133 1.00 96.02 18 A 1 ATOM 133 O OG1 . THR A 1 18 ? 8.609 2.683 -6.378 1.00 91.55 18 A 1 ATOM 134 C CG2 . THR A 1 18 ? 10.147 4.127 -7.477 1.00 89.96 18 A 1 ATOM 135 N N . ALA A 1 19 ? 12.115 4.157 -3.915 1.00 97.06 19 A 1 ATOM 136 C CA . ALA A 1 19 ? 13.169 5.077 -3.507 1.00 96.14 19 A 1 ATOM 137 C C . ALA A 1 19 ? 14.560 4.459 -3.653 1.00 94.83 19 A 1 ATOM 138 O O . ALA A 1 19 ? 14.682 3.226 -3.712 1.00 93.01 19 A 1 ATOM 139 C CB . ALA A 1 19 ? 12.928 5.532 -2.072 1.00 94.55 19 A 1 ATOM 140 O OXT . ALA A 1 19 ? 15.538 5.215 -3.709 1.00 85.91 19 A 1 #