# 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_spkb43399 # _entry.id spkb43399 # 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" "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" "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" "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 LEU 4 1 n VAL 5 1 n LEU 6 1 n VAL 7 1 n ALA 8 1 n VAL 9 1 n LEU 10 1 n GLY 11 1 n VAL 12 1 n ALA 13 1 n SER 14 1 n LEU 15 1 n TYR 16 1 n LEU 17 1 n LEU 18 1 n SER 19 1 n SER 20 1 n ALA 21 # _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 01:54:58)" _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 95.21 _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 89.25 1 1 A LYS 2 2 90.03 1 2 A THR 3 2 96.26 1 3 A LEU 4 2 94.51 1 4 A VAL 5 2 97.78 1 5 A LEU 6 2 96.20 1 6 A VAL 7 2 98.16 1 7 A ALA 8 2 98.34 1 8 A VAL 9 2 98.16 1 9 A LEU 10 2 96.38 1 10 A GLY 11 2 98.48 1 11 A VAL 12 2 98.06 1 12 A ALA 13 2 98.50 1 13 A SER 14 2 97.19 1 14 A LEU 15 2 96.08 1 15 A TYR 16 2 96.26 1 16 A LEU 17 2 95.15 1 17 A LEU 18 2 94.85 1 18 A SER 19 2 94.16 1 19 A SER 20 2 90.21 1 20 A ALA 21 2 88.32 1 21 # _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 LEU . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n TYR . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? -12.508 0.287 10.037 1.00 95.28 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.257 -1.085 9.550 1.00 95.83 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.760 -1.328 9.396 1.00 96.19 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.017 -0.417 9.038 1.00 93.85 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.933 -1.302 8.199 1.00 92.08 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.448 -1.192 8.300 1.00 86.97 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.243 -1.414 6.706 1.00 82.30 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.954 -1.262 7.195 1.00 71.52 1 A 1 ATOM 9 N N . LYS A 1 2 ? -10.328 -2.558 9.637 1.00 96.73 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -8.901 -2.905 9.523 1.00 96.65 2 A 1 ATOM 11 C C . LYS A 1 2 ? -8.459 -2.926 8.060 1.00 96.87 2 A 1 ATOM 12 O O . LYS A 1 2 ? -7.311 -2.613 7.753 1.00 95.98 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -8.656 -4.273 10.159 1.00 95.27 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -8.968 -4.283 11.656 1.00 90.03 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -8.062 -3.330 12.417 1.00 85.83 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -8.415 -3.289 13.892 1.00 79.65 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -8.197 -4.604 14.529 1.00 73.24 2 A 1 ATOM 18 N N . THR A 1 3 ? -9.363 -3.300 7.160 1.00 98.05 3 A 1 ATOM 19 C CA . THR A 1 3 ? -9.048 -3.340 5.728 1.00 98.14 3 A 1 ATOM 20 C C . THR A 1 3 ? -8.640 -1.962 5.219 1.00 98.25 3 A 1 ATOM 21 O O . THR A 1 3 ? -7.689 -1.827 4.451 1.00 97.65 3 A 1 ATOM 22 C CB . THR A 1 3 ? -10.255 -3.829 4.927 1.00 97.70 3 A 1 ATOM 23 O OG1 . THR A 1 3 ? -10.673 -5.098 5.424 1.00 92.95 3 A 1 ATOM 24 C CG2 . THR A 1 3 ? -9.894 -3.962 3.453 1.00 91.08 3 A 1 ATOM 25 N N . LEU A 1 4 ? -9.349 -0.931 5.649 1.00 98.08 4 A 1 ATOM 26 C CA . LEU A 1 4 ? -9.042 0.433 5.228 1.00 98.16 4 A 1 ATOM 27 C C . LEU A 1 4 ? -7.639 0.836 5.676 1.00 98.34 4 A 1 ATOM 28 O O . LEU A 1 4 ? -6.910 1.511 4.946 1.00 98.06 4 A 1 ATOM 29 C CB . LEU A 1 4 ? -10.073 1.401 5.809 1.00 97.89 4 A 1 ATOM 30 C CG . LEU A 1 4 ? -9.884 2.835 5.319 1.00 91.11 4 A 1 ATOM 31 C CD1 . LEU A 1 4 ? -10.091 2.921 3.814 1.00 86.82 4 A 1 ATOM 32 C CD2 . LEU A 1 4 ? -10.857 3.763 6.038 1.00 87.64 4 A 1 ATOM 33 N N . VAL A 1 5 ? -7.254 0.420 6.868 1.00 98.38 5 A 1 ATOM 34 C CA . VAL A 1 5 ? -5.925 0.722 7.402 1.00 98.48 5 A 1 ATOM 35 C C . VAL A 1 5 ? -4.847 0.080 6.534 1.00 98.51 5 A 1 ATOM 36 O O . VAL A 1 5 ? -3.838 0.710 6.206 1.00 98.28 5 A 1 ATOM 37 C CB . VAL A 1 5 ? -5.791 0.228 8.849 1.00 98.24 5 A 1 ATOM 38 C CG1 . VAL A 1 5 ? -4.377 0.465 9.367 1.00 96.44 5 A 1 ATOM 39 C CG2 . VAL A 1 5 ? -6.802 0.939 9.734 1.00 96.14 5 A 1 ATOM 40 N N . LEU A 1 6 ? -5.062 -1.179 6.153 1.00 98.55 6 A 1 ATOM 41 C CA . LEU A 1 6 ? -4.095 -1.892 5.319 1.00 98.54 6 A 1 ATOM 42 C C . LEU A 1 6 ? -3.945 -1.212 3.962 1.00 98.61 6 A 1 ATOM 43 O O . LEU A 1 6 ? -2.835 -1.081 3.441 1.00 98.55 6 A 1 ATOM 44 C CB . LEU A 1 6 ? -4.554 -3.340 5.126 1.00 98.37 6 A 1 ATOM 45 C CG . LEU A 1 6 ? -4.525 -4.160 6.417 1.00 93.85 6 A 1 ATOM 46 C CD1 . LEU A 1 6 ? -5.145 -5.530 6.178 1.00 90.94 6 A 1 ATOM 47 C CD2 . LEU A 1 6 ? -3.096 -4.316 6.921 1.00 92.19 6 A 1 ATOM 48 N N . VAL A 1 7 ? -5.056 -0.770 3.388 1.00 98.65 7 A 1 ATOM 49 C CA . VAL A 1 7 ? -5.030 -0.084 2.096 1.00 98.65 7 A 1 ATOM 50 C C . VAL A 1 7 ? -4.215 1.202 2.195 1.00 98.68 7 A 1 ATOM 51 O O . VAL A 1 7 ? -3.416 1.517 1.309 1.00 98.52 7 A 1 ATOM 52 C CB . VAL A 1 7 ? -6.455 0.230 1.619 1.00 98.41 7 A 1 ATOM 53 C CG1 . VAL A 1 7 ? -6.427 1.069 0.344 1.00 97.15 7 A 1 ATOM 54 C CG2 . VAL A 1 7 ? -7.214 -1.065 1.372 1.00 97.06 7 A 1 ATOM 55 N N . ALA A 1 8 ? -4.405 1.936 3.268 1.00 98.37 8 A 1 ATOM 56 C CA . ALA A 1 8 ? -3.678 3.187 3.474 1.00 98.41 8 A 1 ATOM 57 C C . ALA A 1 8 ? -2.175 2.934 3.573 1.00 98.53 8 A 1 ATOM 58 O O . ALA A 1 8 ? -1.372 3.665 2.988 1.00 98.21 8 A 1 ATOM 59 C CB . ALA A 1 8 ? -4.181 3.873 4.740 1.00 98.19 8 A 1 ATOM 60 N N . VAL A 1 9 ? -1.792 1.892 4.301 1.00 98.65 9 A 1 ATOM 61 C CA . VAL A 1 9 ? -0.379 1.545 4.458 1.00 98.65 9 A 1 ATOM 62 C C . VAL A 1 9 ? 0.238 1.184 3.113 1.00 98.66 9 A 1 ATOM 63 O O . VAL A 1 9 ? 1.341 1.630 2.783 1.00 98.45 9 A 1 ATOM 64 C CB . VAL A 1 9 ? -0.208 0.378 5.441 1.00 98.44 9 A 1 ATOM 65 C CG1 . VAL A 1 9 ? 1.248 -0.074 5.493 1.00 97.23 9 A 1 ATOM 66 C CG2 . VAL A 1 9 ? -0.674 0.796 6.823 1.00 97.03 9 A 1 ATOM 67 N N . LEU A 1 10 ? -0.468 0.374 2.327 1.00 98.71 10 A 1 ATOM 68 C CA . LEU A 1 10 ? 0.034 -0.041 1.018 1.00 98.63 10 A 1 ATOM 69 C C . LEU A 1 10 ? 0.180 1.154 0.085 1.00 98.63 10 A 1 ATOM 70 O O . LEU A 1 10 ? 1.152 1.251 -0.667 1.00 98.36 10 A 1 ATOM 71 C CB . LEU A 1 10 ? -0.918 -1.068 0.408 1.00 98.42 10 A 1 ATOM 72 C CG . LEU A 1 10 ? -0.914 -2.408 1.144 1.00 94.69 10 A 1 ATOM 73 C CD1 . LEU A 1 10 ? -2.019 -3.304 0.603 1.00 90.99 10 A 1 ATOM 74 C CD2 . LEU A 1 10 ? 0.434 -3.097 1.000 1.00 92.58 10 A 1 ATOM 75 N N . GLY A 1 11 ? -0.782 2.064 0.124 1.00 98.50 11 A 1 ATOM 76 C CA . GLY A 1 11 ? -0.729 3.253 -0.720 1.00 98.46 11 A 1 ATOM 77 C C . GLY A 1 11 ? 0.469 4.125 -0.394 1.00 98.58 11 A 1 ATOM 78 O O . GLY A 1 11 ? 1.213 4.540 -1.285 1.00 98.39 11 A 1 ATOM 79 N N . VAL A 1 12 ? 0.676 4.396 0.881 1.00 98.62 12 A 1 ATOM 80 C CA . VAL A 1 12 ? 1.804 5.218 1.316 1.00 98.61 12 A 1 ATOM 81 C C . VAL A 1 12 ? 3.125 4.529 1.000 1.00 98.66 12 A 1 ATOM 82 O O . VAL A 1 12 ? 4.080 5.167 0.550 1.00 98.38 12 A 1 ATOM 83 C CB . VAL A 1 12 ? 1.714 5.506 2.817 1.00 98.33 12 A 1 ATOM 84 C CG1 . VAL A 1 12 ? 2.955 6.250 3.292 1.00 96.79 12 A 1 ATOM 85 C CG2 . VAL A 1 12 ? 0.468 6.321 3.113 1.00 97.00 12 A 1 ATOM 86 N N . ALA A 1 13 ? 3.182 3.217 1.230 1.00 98.58 13 A 1 ATOM 87 C CA . ALA A 1 13 ? 4.398 2.452 0.968 1.00 98.56 13 A 1 ATOM 88 C C . ALA A 1 13 ? 4.779 2.516 -0.508 1.00 98.63 13 A 1 ATOM 89 O O . ALA A 1 13 ? 5.954 2.673 -0.844 1.00 98.36 13 A 1 ATOM 90 C CB . ALA A 1 13 ? 4.197 1.001 1.391 1.00 98.37 13 A 1 ATOM 91 N N . SER A 1 14 ? 3.797 2.406 -1.397 1.00 98.43 14 A 1 ATOM 92 C CA . SER A 1 14 ? 4.050 2.452 -2.836 1.00 98.42 14 A 1 ATOM 93 C C . SER A 1 14 ? 4.646 3.796 -3.241 1.00 98.56 14 A 1 ATOM 94 O O . SER A 1 14 ? 5.636 3.855 -3.971 1.00 98.21 14 A 1 ATOM 95 C CB . SER A 1 14 ? 2.756 2.211 -3.605 1.00 98.08 14 A 1 ATOM 96 O OG . SER A 1 14 ? 2.261 0.919 -3.334 1.00 91.42 14 A 1 ATOM 97 N N . LEU A 1 15 ? 4.055 4.876 -2.763 1.00 98.56 15 A 1 ATOM 98 C CA . LEU A 1 15 ? 4.544 6.217 -3.082 1.00 98.50 15 A 1 ATOM 99 C C . LEU A 1 15 ? 5.935 6.437 -2.500 1.00 98.58 15 A 1 ATOM 100 O O . LEU A 1 15 ? 6.797 7.047 -3.137 1.00 98.34 15 A 1 ATOM 101 C CB . LEU A 1 15 ? 3.577 7.261 -2.531 1.00 98.21 15 A 1 ATOM 102 C CG . LEU A 1 15 ? 2.216 7.255 -3.222 1.00 94.54 15 A 1 ATOM 103 C CD1 . LEU A 1 15 ? 1.265 8.197 -2.505 1.00 90.56 15 A 1 ATOM 104 C CD2 . LEU A 1 15 ? 2.354 7.663 -4.683 1.00 91.32 15 A 1 ATOM 105 N N . TYR A 1 16 ? 6.152 5.939 -1.292 1.00 98.43 16 A 1 ATOM 106 C CA . TYR A 1 16 ? 7.447 6.086 -0.633 1.00 98.36 16 A 1 ATOM 107 C C . TYR A 1 16 ? 8.542 5.377 -1.420 1.00 98.39 16 A 1 ATOM 108 O O . TYR A 1 16 ? 9.633 5.920 -1.617 1.00 98.22 16 A 1 ATOM 109 C CB . TYR A 1 16 ? 7.379 5.516 0.782 1.00 98.24 16 A 1 ATOM 110 C CG . TYR A 1 16 ? 8.682 5.709 1.525 1.00 96.92 16 A 1 ATOM 111 C CD1 . TYR A 1 16 ? 8.983 6.930 2.124 1.00 94.45 16 A 1 ATOM 112 C CD2 . TYR A 1 16 ? 9.611 4.675 1.607 1.00 94.80 16 A 1 ATOM 113 C CE1 . TYR A 1 16 ? 10.183 7.111 2.794 1.00 94.17 16 A 1 ATOM 114 C CE2 . TYR A 1 16 ? 10.819 4.856 2.276 1.00 94.44 16 A 1 ATOM 115 C CZ . TYR A 1 16 ? 11.097 6.075 2.867 1.00 94.88 16 A 1 ATOM 116 O OH . TYR A 1 16 ? 12.288 6.254 3.526 1.00 93.82 16 A 1 ATOM 117 N N . LEU A 1 17 ? 8.259 4.156 -1.884 1.00 98.39 17 A 1 ATOM 118 C CA . LEU A 1 17 ? 9.238 3.382 -2.645 1.00 98.24 17 A 1 ATOM 119 C C . LEU A 1 17 ? 9.582 4.076 -3.955 1.00 98.23 17 A 1 ATOM 120 O O . LEU A 1 17 ? 10.747 4.134 -4.350 1.00 97.84 17 A 1 ATOM 121 C CB . LEU A 1 17 ? 8.682 1.985 -2.926 1.00 97.96 17 A 1 ATOM 122 C CG . LEU A 1 17 ? 8.598 1.115 -1.677 1.00 92.60 17 A 1 ATOM 123 C CD1 . LEU A 1 17 ? 7.850 -0.173 -1.991 1.00 88.44 17 A 1 ATOM 124 C CD2 . LEU A 1 17 ? 9.994 0.792 -1.154 1.00 89.50 17 A 1 ATOM 125 N N . LEU A 1 18 ? 8.580 4.614 -4.640 1.00 98.34 18 A 1 ATOM 126 C CA . LEU A 1 18 ? 8.803 5.314 -5.904 1.00 98.00 18 A 1 ATOM 127 C C . LEU A 1 18 ? 9.633 6.572 -5.686 1.00 97.86 18 A 1 ATOM 128 O O . LEU A 1 18 ? 10.505 6.900 -6.496 1.00 97.22 18 A 1 ATOM 129 C CB . LEU A 1 18 ? 7.461 5.677 -6.537 1.00 97.64 18 A 1 ATOM 130 C CG . LEU A 1 18 ? 6.679 4.464 -7.036 1.00 92.46 18 A 1 ATOM 131 C CD1 . LEU A 1 18 ? 5.277 4.886 -7.458 1.00 88.51 18 A 1 ATOM 132 C CD2 . LEU A 1 18 ? 7.398 3.806 -8.206 1.00 88.78 18 A 1 ATOM 133 N N . SER A 1 19 ? 9.372 7.281 -4.607 1.00 97.47 19 A 1 ATOM 134 C CA . SER A 1 19 ? 10.113 8.499 -4.291 1.00 96.87 19 A 1 ATOM 135 C C . SER A 1 19 ? 11.543 8.183 -3.861 1.00 96.40 19 A 1 ATOM 136 O O . SER A 1 19 ? 12.486 8.879 -4.236 1.00 94.53 19 A 1 ATOM 137 C CB . SER A 1 19 ? 9.406 9.272 -3.186 1.00 95.71 19 A 1 ATOM 138 O OG . SER A 1 19 ? 10.112 10.460 -2.895 1.00 83.97 19 A 1 ATOM 139 N N . SER A 1 20 ? 11.701 7.126 -3.068 1.00 95.47 20 A 1 ATOM 140 C CA . SER A 1 20 ? 13.015 6.719 -2.571 1.00 94.45 20 A 1 ATOM 141 C C . SER A 1 20 ? 13.862 6.092 -3.673 1.00 92.87 20 A 1 ATOM 142 O O . SER A 1 20 ? 15.073 6.311 -3.743 1.00 87.63 20 A 1 ATOM 143 C CB . SER A 1 20 ? 12.860 5.726 -1.424 1.00 92.01 20 A 1 ATOM 144 O OG . SER A 1 20 ? 14.125 5.340 -0.930 1.00 78.85 20 A 1 ATOM 145 N N . ALA A 1 21 ? 13.228 5.285 -4.538 1.00 95.01 21 A 1 ATOM 146 C CA . ALA A 1 21 ? 13.926 4.586 -5.608 1.00 92.54 21 A 1 ATOM 147 C C . ALA A 1 21 ? 13.157 4.715 -6.928 1.00 88.69 21 A 1 ATOM 148 O O . ALA A 1 21 ? 11.928 4.571 -6.919 1.00 83.80 21 A 1 ATOM 149 C CB . ALA A 1 21 ? 14.106 3.116 -5.247 1.00 89.20 21 A 1 ATOM 150 O OXT . ALA A 1 21 ? 13.778 4.928 -7.975 1.00 80.68 21 A 1 #