# 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_spkb25291 # _entry.id spkb25291 # 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" "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" "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" "C3 H7 N O3" 105.093 SER y SERINE C([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 LEU 2 1 n PHE 3 1 n SER 4 1 n LYS 5 1 n SER 6 1 n LEU 7 1 n VAL 8 1 n ALA 9 1 n LEU 10 1 n VAL 11 1 n ALA 12 1 n CYS 13 1 n PHE 14 1 n LEU 15 1 n PRO 16 1 n LEU 17 1 n ILE 18 1 n VAL 19 1 n SER 20 # _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 @ 2025-07-05 12:19:59)" _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 93.68 _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 86.03 1 1 A LEU 2 2 89.68 1 2 A PHE 3 2 90.65 1 3 A SER 4 2 93.90 1 4 A LYS 5 2 92.10 1 5 A SER 6 2 95.19 1 6 A LEU 7 2 93.82 1 7 A VAL 8 2 96.37 1 8 A ALA 9 2 97.26 1 9 A LEU 10 2 94.78 1 10 A VAL 11 2 97.01 1 11 A ALA 12 2 97.32 1 12 A CYS 13 2 96.27 1 13 A PHE 14 2 94.42 1 14 A LEU 15 2 94.42 1 15 A PRO 16 2 96.89 1 16 A LEU 17 2 95.09 1 17 A ILE 18 2 94.53 1 18 A VAL 19 2 94.48 1 19 A SER 20 2 88.93 1 20 # _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 LEU . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n PRO . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n SER . 20 A 20 # _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 ? -13.652 0.719 7.412 1.00 92.31 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.661 -0.315 7.045 1.00 93.69 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.269 0.310 6.989 1.00 94.78 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.865 0.837 5.953 1.00 92.16 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.016 -0.929 5.693 1.00 88.59 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.296 -1.746 5.760 1.00 82.37 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.793 -2.350 4.141 1.00 76.57 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.247 -3.275 4.574 1.00 67.77 1 A 1 ATOM 9 N N . LEU A 1 2 ? -10.575 0.265 8.096 1.00 92.57 2 A 1 ATOM 10 C CA . LEU A 1 2 ? -9.246 0.864 8.198 1.00 94.60 2 A 1 ATOM 11 C C . LEU A 1 2 ? -8.192 0.024 7.489 1.00 95.99 2 A 1 ATOM 12 O O . LEU A 1 2 ? -7.254 0.569 6.907 1.00 94.85 2 A 1 ATOM 13 C CB . LEU A 1 2 ? -8.898 1.039 9.676 1.00 92.87 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -9.180 2.445 10.186 1.00 84.75 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -9.891 2.400 11.529 1.00 81.30 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -7.878 3.218 10.312 1.00 80.48 2 A 1 ATOM 17 N N . PHE A 1 3 ? -8.360 -1.295 7.510 1.00 95.35 3 A 1 ATOM 18 C CA . PHE A 1 3 ? -7.380 -2.197 6.912 1.00 95.67 3 A 1 ATOM 19 C C . PHE A 1 3 ? -7.350 -2.104 5.392 1.00 96.62 3 A 1 ATOM 20 O O . PHE A 1 3 ? -6.322 -2.388 4.776 1.00 96.19 3 A 1 ATOM 21 C CB . PHE A 1 3 ? -7.665 -3.636 7.347 1.00 94.74 3 A 1 ATOM 22 C CG . PHE A 1 3 ? -6.796 -4.072 8.499 1.00 90.41 3 A 1 ATOM 23 C CD1 . PHE A 1 3 ? -5.499 -4.506 8.266 1.00 86.91 3 A 1 ATOM 24 C CD2 . PHE A 1 3 ? -7.281 -4.042 9.794 1.00 86.43 3 A 1 ATOM 25 C CE1 . PHE A 1 3 ? -4.684 -4.905 9.315 1.00 85.21 3 A 1 ATOM 26 C CE2 . PHE A 1 3 ? -6.472 -4.440 10.854 1.00 85.53 3 A 1 ATOM 27 C CZ . PHE A 1 3 ? -5.174 -4.874 10.613 1.00 84.08 3 A 1 ATOM 28 N N . SER A 1 4 ? -8.462 -1.715 4.790 1.00 95.95 4 A 1 ATOM 29 C CA . SER A 1 4 ? -8.541 -1.639 3.332 1.00 96.32 4 A 1 ATOM 30 C C . SER A 1 4 ? -8.014 -0.303 2.810 1.00 96.78 4 A 1 ATOM 31 O O . SER A 1 4 ? -7.342 -0.246 1.782 1.00 95.80 4 A 1 ATOM 32 C CB . SER A 1 4 ? -9.982 -1.872 2.879 1.00 95.17 4 A 1 ATOM 33 O OG . SER A 1 4 ? -10.006 -2.286 1.533 1.00 83.39 4 A 1 ATOM 34 N N . LYS A 1 5 ? -8.320 0.764 3.514 1.00 97.31 5 A 1 ATOM 35 C CA . LYS A 1 5 ? -7.909 2.106 3.095 1.00 97.44 5 A 1 ATOM 36 C C . LYS A 1 5 ? -6.596 2.530 3.751 1.00 97.50 5 A 1 ATOM 37 O O . LYS A 1 5 ? -5.756 3.166 3.113 1.00 96.88 5 A 1 ATOM 38 C CB . LYS A 1 5 ? -9.024 3.109 3.411 1.00 97.01 5 A 1 ATOM 39 C CG . LYS A 1 5 ? -10.230 2.978 2.481 1.00 92.45 5 A 1 ATOM 40 C CD . LYS A 1 5 ? -9.930 3.558 1.102 1.00 89.16 5 A 1 ATOM 41 C CE . LYS A 1 5 ? -11.152 3.522 0.202 1.00 84.88 5 A 1 ATOM 42 N NZ . LYS A 1 5 ? -10.889 4.192 -1.103 1.00 76.31 5 A 1 ATOM 43 N N . SER A 1 6 ? -6.425 2.173 4.999 1.00 97.27 6 A 1 ATOM 44 C CA . SER A 1 6 ? -5.229 2.553 5.747 1.00 97.24 6 A 1 ATOM 45 C C . SER A 1 6 ? -3.992 1.826 5.222 1.00 97.53 6 A 1 ATOM 46 O O . SER A 1 6 ? -2.913 2.408 5.139 1.00 96.79 6 A 1 ATOM 47 C CB . SER A 1 6 ? -5.432 2.262 7.231 1.00 96.46 6 A 1 ATOM 48 O OG . SER A 1 6 ? -4.649 3.120 8.010 1.00 85.88 6 A 1 ATOM 49 N N . LEU A 1 7 ? -4.159 0.578 4.832 1.00 97.22 7 A 1 ATOM 50 C CA . LEU A 1 7 ? -3.059 -0.201 4.269 1.00 97.28 7 A 1 ATOM 51 C C . LEU A 1 7 ? -2.601 0.384 2.939 1.00 97.62 7 A 1 ATOM 52 O O . LEU A 1 7 ? -1.407 0.438 2.651 1.00 97.37 7 A 1 ATOM 53 C CB . LEU A 1 7 ? -3.482 -1.659 4.084 1.00 97.01 7 A 1 ATOM 54 C CG . LEU A 1 7 ? -2.742 -2.629 4.994 1.00 90.95 7 A 1 ATOM 55 C CD1 . LEU A 1 7 ? -3.218 -2.498 6.429 1.00 86.00 7 A 1 ATOM 56 C CD2 . LEU A 1 7 ? -2.929 -4.057 4.502 1.00 87.08 7 A 1 ATOM 57 N N . VAL A 1 8 ? -3.554 0.821 2.141 1.00 97.46 8 A 1 ATOM 58 C CA . VAL A 1 8 ? -3.245 1.432 0.850 1.00 97.33 8 A 1 ATOM 59 C C . VAL A 1 8 ? -2.428 2.704 1.056 1.00 97.37 8 A 1 ATOM 60 O O . VAL A 1 8 ? -1.504 2.994 0.290 1.00 96.96 8 A 1 ATOM 61 C CB . VAL A 1 8 ? -4.535 1.732 0.066 1.00 96.94 8 A 1 ATOM 62 C CG1 . VAL A 1 8 ? -4.236 2.490 -1.221 1.00 94.07 8 A 1 ATOM 63 C CG2 . VAL A 1 8 ? -5.264 0.440 -0.268 1.00 94.46 8 A 1 ATOM 64 N N . ALA A 1 9 ? -2.762 3.443 2.090 1.00 97.57 9 A 1 ATOM 65 C CA . ALA A 1 9 ? -2.026 4.656 2.424 1.00 97.35 9 A 1 ATOM 66 C C . ALA A 1 9 ? -0.581 4.322 2.799 1.00 97.64 9 A 1 ATOM 67 O O . ALA A 1 9 ? 0.339 5.060 2.450 1.00 96.90 9 A 1 ATOM 68 C CB . ALA A 1 9 ? -2.734 5.384 3.562 1.00 96.82 9 A 1 ATOM 69 N N . LEU A 1 10 ? -0.389 3.199 3.468 1.00 97.42 10 A 1 ATOM 70 C CA . LEU A 1 10 ? 0.947 2.737 3.827 1.00 97.36 10 A 1 ATOM 71 C C . LEU A 1 10 ? 1.746 2.381 2.580 1.00 97.73 10 A 1 ATOM 72 O O . LEU A 1 10 ? 2.911 2.755 2.450 1.00 97.37 10 A 1 ATOM 73 C CB . LEU A 1 10 ? 0.852 1.529 4.758 1.00 97.02 10 A 1 ATOM 74 C CG . LEU A 1 10 ? 1.523 1.745 6.112 1.00 92.99 10 A 1 ATOM 75 C CD1 . LEU A 1 10 ? 0.632 2.577 7.023 1.00 88.61 10 A 1 ATOM 76 C CD2 . LEU A 1 10 ? 1.833 0.406 6.764 1.00 89.70 10 A 1 ATOM 77 N N . VAL A 1 11 ? 1.106 1.684 1.671 1.00 97.96 11 A 1 ATOM 78 C CA . VAL A 1 11 ? 1.744 1.293 0.416 1.00 97.87 11 A 1 ATOM 79 C C . VAL A 1 11 ? 2.102 2.532 -0.400 1.00 97.96 11 A 1 ATOM 80 O O . VAL A 1 11 ? 3.152 2.577 -1.049 1.00 97.45 11 A 1 ATOM 81 C CB . VAL A 1 11 ? 0.828 0.359 -0.392 1.00 97.48 11 A 1 ATOM 82 C CG1 . VAL A 1 11 ? 1.460 0.001 -1.728 1.00 95.06 11 A 1 ATOM 83 C CG2 . VAL A 1 11 ? 0.545 -0.912 0.391 1.00 95.29 11 A 1 ATOM 84 N N . ALA A 1 12 ? 1.241 3.526 -0.356 1.00 97.73 12 A 1 ATOM 85 C CA . ALA A 1 12 ? 1.490 4.785 -1.047 1.00 97.47 12 A 1 ATOM 86 C C . ALA A 1 12 ? 2.746 5.466 -0.502 1.00 97.69 12 A 1 ATOM 87 O O . ALA A 1 12 ? 3.461 6.141 -1.240 1.00 96.80 12 A 1 ATOM 88 C CB . ALA A 1 12 ? 0.274 5.695 -0.901 1.00 96.90 12 A 1 ATOM 89 N N . CYS A 1 13 ? 3.017 5.281 0.779 1.00 97.76 13 A 1 ATOM 90 C CA . CYS A 1 13 ? 4.218 5.824 1.401 1.00 97.57 13 A 1 ATOM 91 C C . CYS A 1 13 ? 5.449 4.981 1.059 1.00 97.80 13 A 1 ATOM 92 O O . CYS A 1 13 ? 6.571 5.485 1.069 1.00 96.56 13 A 1 ATOM 93 C CB . CYS A 1 13 ? 4.023 5.897 2.917 1.00 96.49 13 A 1 ATOM 94 S SG . CYS A 1 13 ? 2.793 7.126 3.392 1.00 91.46 13 A 1 ATOM 95 N N . PHE A 1 14 ? 5.219 3.712 0.763 1.00 97.01 14 A 1 ATOM 96 C CA . PHE A 1 14 ? 6.300 2.799 0.406 1.00 97.04 14 A 1 ATOM 97 C C . PHE A 1 14 ? 6.725 2.989 -1.044 1.00 97.57 14 A 1 ATOM 98 O O . PHE A 1 14 ? 7.880 2.729 -1.390 1.00 96.74 14 A 1 ATOM 99 C CB . PHE A 1 14 ? 5.852 1.355 0.645 1.00 96.44 14 A 1 ATOM 100 C CG . PHE A 1 14 ? 6.155 0.859 2.039 1.00 94.95 14 A 1 ATOM 101 C CD1 . PHE A 1 14 ? 5.685 1.530 3.158 1.00 91.91 14 A 1 ATOM 102 C CD2 . PHE A 1 14 ? 6.915 -0.292 2.218 1.00 92.67 14 A 1 ATOM 103 C CE1 . PHE A 1 14 ? 5.969 1.078 4.437 1.00 91.07 14 A 1 ATOM 104 C CE2 . PHE A 1 14 ? 7.201 -0.757 3.496 1.00 91.19 14 A 1 ATOM 105 C CZ . PHE A 1 14 ? 6.727 -0.070 4.606 1.00 92.03 14 A 1 ATOM 106 N N . LEU A 1 15 ? 5.809 3.442 -1.872 1.00 97.52 15 A 1 ATOM 107 C CA . LEU A 1 15 ? 6.092 3.690 -3.284 1.00 97.23 15 A 1 ATOM 108 C C . LEU A 1 15 ? 7.267 4.657 -3.467 1.00 97.42 15 A 1 ATOM 109 O O . LEU A 1 15 ? 8.216 4.327 -4.187 1.00 96.70 15 A 1 ATOM 110 C CB . LEU A 1 15 ? 4.826 4.199 -3.980 1.00 96.63 15 A 1 ATOM 111 C CG . LEU A 1 15 ? 4.907 4.201 -5.505 1.00 92.21 15 A 1 ATOM 112 C CD1 . LEU A 1 15 ? 4.829 2.782 -6.053 1.00 88.55 15 A 1 ATOM 113 C CD2 . LEU A 1 15 ? 3.782 5.045 -6.084 1.00 89.14 15 A 1 ATOM 114 N N . PRO A 1 16 ? 7.239 5.826 -2.843 1.00 97.80 16 A 1 ATOM 115 C CA . PRO A 1 16 ? 8.366 6.756 -2.954 1.00 97.34 16 A 1 ATOM 116 C C . PRO A 1 16 ? 9.628 6.210 -2.295 1.00 97.47 16 A 1 ATOM 117 O O . PRO A 1 16 ? 10.734 6.573 -2.686 1.00 96.28 16 A 1 ATOM 118 C CB . PRO A 1 16 ? 7.872 8.023 -2.245 1.00 96.33 16 A 1 ATOM 119 C CG . PRO A 1 16 ? 6.794 7.566 -1.328 1.00 95.69 16 A 1 ATOM 120 C CD . PRO A 1 16 ? 6.153 6.405 -2.037 1.00 97.34 16 A 1 ATOM 121 N N . LEU A 1 17 ? 9.464 5.343 -1.328 1.00 97.65 17 A 1 ATOM 122 C CA . LEU A 1 17 ? 10.595 4.718 -0.647 1.00 97.47 17 A 1 ATOM 123 C C . LEU A 1 17 ? 11.336 3.772 -1.588 1.00 97.55 17 A 1 ATOM 124 O O . LEU A 1 17 ? 12.564 3.688 -1.548 1.00 96.33 17 A 1 ATOM 125 C CB . LEU A 1 17 ? 10.094 3.962 0.591 1.00 96.88 17 A 1 ATOM 126 C CG . LEU A 1 17 ? 11.208 3.462 1.506 1.00 94.17 17 A 1 ATOM 127 C CD1 . LEU A 1 17 ? 11.679 4.573 2.441 1.00 90.67 17 A 1 ATOM 128 C CD2 . LEU A 1 17 ? 10.722 2.270 2.320 1.00 89.98 17 A 1 ATOM 129 N N . ILE A 1 18 ? 10.586 3.072 -2.430 1.00 97.20 18 A 1 ATOM 130 C CA . ILE A 1 18 ? 11.172 2.140 -3.389 1.00 96.71 18 A 1 ATOM 131 C C . ILE A 1 18 ? 11.727 2.888 -4.598 1.00 96.66 18 A 1 ATOM 132 O O . ILE A 1 18 ? 12.763 2.512 -5.153 1.00 95.51 18 A 1 ATOM 133 C CB . ILE A 1 18 ? 10.129 1.090 -3.819 1.00 95.77 18 A 1 ATOM 134 C CG1 . ILE A 1 18 ? 9.672 0.257 -2.619 1.00 93.25 18 A 1 ATOM 135 C CG2 . ILE A 1 18 ? 10.702 0.172 -4.902 1.00 91.98 18 A 1 ATOM 136 C CD1 . ILE A 1 18 ? 8.360 -0.470 -2.850 1.00 89.12 18 A 1 ATOM 137 N N . VAL A 1 19 ? 11.033 3.922 -4.999 1.00 97.22 19 A 1 ATOM 138 C CA . VAL A 1 19 ? 11.445 4.722 -6.152 1.00 96.32 19 A 1 ATOM 139 C C . VAL A 1 19 ? 12.727 5.496 -5.853 1.00 95.95 19 A 1 ATOM 140 O O . VAL A 1 19 ? 13.598 5.631 -6.720 1.00 94.03 19 A 1 ATOM 141 C CB . VAL A 1 19 ? 10.315 5.678 -6.576 1.00 95.01 19 A 1 ATOM 142 C CG1 . VAL A 1 19 ? 10.779 6.631 -7.669 1.00 91.06 19 A 1 ATOM 143 C CG2 . VAL A 1 19 ? 9.110 4.895 -7.078 1.00 91.79 19 A 1 ATOM 144 N N . SER A 1 20 ? 12.829 5.985 -4.638 1.00 95.33 20 A 1 ATOM 145 C CA . SER A 1 20 ? 13.988 6.766 -4.229 1.00 93.92 20 A 1 ATOM 146 C C . SER A 1 20 ? 14.649 6.161 -3.000 1.00 90.10 20 A 1 ATOM 147 O O . SER A 1 20 ? 14.034 6.168 -1.928 1.00 84.81 20 A 1 ATOM 148 C CB . SER A 1 20 ? 13.598 8.208 -3.950 1.00 90.71 20 A 1 ATOM 149 O OG . SER A 1 20 ? 14.749 9.013 -3.789 1.00 82.75 20 A 1 ATOM 150 O OXT . SER A 1 20 ? 15.772 5.685 -3.121 1.00 84.86 20 A 1 #