# 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_spkb08066 # _entry.id spkb08066 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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" "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 LEU 2 1 n MET 3 1 n LYS 4 1 n GLN 5 1 n THR 6 1 n PHE 7 1 n LEU 8 1 n TYR 9 1 n PHE 10 1 n LEU 11 1 n LEU 12 1 n THR 13 1 n CYS 14 1 n VAL 15 1 n VAL 16 1 n SER 17 1 n ALA 18 # _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 15:12:17)" _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 92.34 _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 84.99 1 1 A LEU 2 2 89.58 1 2 A MET 3 2 90.02 1 3 A LYS 4 2 87.79 1 4 A GLN 5 2 88.45 1 5 A THR 6 2 93.39 1 6 A PHE 7 2 92.55 1 7 A LEU 8 2 93.68 1 8 A TYR 9 2 92.45 1 9 A PHE 10 2 93.88 1 10 A LEU 11 2 94.53 1 11 A LEU 12 2 94.14 1 12 A THR 13 2 95.23 1 13 A CYS 14 2 96.45 1 14 A VAL 15 2 96.06 1 15 A VAL 16 2 95.69 1 16 A SER 17 2 94.89 1 17 A ALA 18 2 91.55 1 18 # _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 MET . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n TYR . 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 THR . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n ALA . 18 A 18 # _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 ? -9.083 -8.645 5.268 1.00 91.06 1 A 1 ATOM 2 C CA . MET A 1 1 ? -8.369 -7.375 5.506 1.00 92.29 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.097 -6.201 4.870 1.00 93.33 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.059 -6.386 4.132 1.00 89.97 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.952 -7.452 4.942 1.00 87.68 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.065 -8.394 5.744 1.00 80.96 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.593 -7.574 6.339 1.00 75.80 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.148 -8.623 7.709 1.00 68.79 1 A 1 ATOM 9 N N . LEU A 1 2 ? -8.631 -5.006 5.140 1.00 93.33 2 A 1 ATOM 10 C CA . LEU A 1 2 ? -9.251 -3.810 4.597 1.00 94.93 2 A 1 ATOM 11 C C . LEU A 1 2 ? -8.729 -3.507 3.199 1.00 96.03 2 A 1 ATOM 12 O O . LEU A 1 2 ? -7.521 -3.529 2.964 1.00 94.98 2 A 1 ATOM 13 C CB . LEU A 1 2 ? -8.974 -2.630 5.512 1.00 92.90 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -9.712 -2.679 6.837 1.00 82.66 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -8.777 -2.286 7.971 1.00 80.03 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -10.911 -1.747 6.794 1.00 81.79 2 A 1 ATOM 17 N N . MET A 1 3 ? -9.653 -3.227 2.296 1.00 96.09 3 A 1 ATOM 18 C CA . MET A 1 3 ? -9.273 -2.910 0.916 1.00 96.02 3 A 1 ATOM 19 C C . MET A 1 3 ? -8.608 -1.539 0.834 1.00 96.05 3 A 1 ATOM 20 O O . MET A 1 3 ? -7.683 -1.332 0.057 1.00 94.92 3 A 1 ATOM 21 C CB . MET A 1 3 ? -10.508 -2.941 0.019 1.00 94.33 3 A 1 ATOM 22 C CG . MET A 1 3 ? -10.854 -4.343 -0.425 1.00 89.08 3 A 1 ATOM 23 S SD . MET A 1 3 ? -11.952 -4.343 -1.837 1.00 81.44 3 A 1 ATOM 24 C CE . MET A 1 3 ? -11.502 -5.892 -2.577 1.00 72.22 3 A 1 ATOM 25 N N . LYS A 1 4 ? -9.090 -0.634 1.653 1.00 95.04 4 A 1 ATOM 26 C CA . LYS A 1 4 ? -8.536 0.719 1.687 1.00 95.57 4 A 1 ATOM 27 C C . LYS A 1 4 ? -7.078 0.700 2.141 1.00 95.94 4 A 1 ATOM 28 O O . LYS A 1 4 ? -6.233 1.392 1.586 1.00 95.29 4 A 1 ATOM 29 C CB . LYS A 1 4 ? -9.378 1.592 2.615 1.00 94.46 4 A 1 ATOM 30 C CG . LYS A 1 4 ? -9.059 3.062 2.472 1.00 87.26 4 A 1 ATOM 31 C CD . LYS A 1 4 ? -9.000 3.757 3.815 1.00 82.69 4 A 1 ATOM 32 C CE . LYS A 1 4 ? -10.375 3.917 4.430 1.00 75.24 4 A 1 ATOM 33 N NZ . LYS A 1 4 ? -10.293 4.577 5.744 1.00 68.63 4 A 1 ATOM 34 N N . GLN A 1 5 ? -6.804 -0.105 3.152 1.00 95.39 5 A 1 ATOM 35 C CA . GLN A 1 5 ? -5.445 -0.221 3.673 1.00 96.26 5 A 1 ATOM 36 C C . GLN A 1 5 ? -4.515 -0.837 2.640 1.00 96.97 5 A 1 ATOM 37 O O . GLN A 1 5 ? -3.374 -0.408 2.479 1.00 95.83 5 A 1 ATOM 38 C CB . GLN A 1 5 ? -5.449 -1.066 4.949 1.00 95.30 5 A 1 ATOM 39 C CG . GLN A 1 5 ? -5.524 -0.214 6.203 1.00 87.67 5 A 1 ATOM 40 C CD . GLN A 1 5 ? -4.265 0.604 6.410 1.00 82.10 5 A 1 ATOM 41 O OE1 . GLN A 1 5 ? -4.198 1.759 6.013 1.00 75.38 5 A 1 ATOM 42 N NE2 . GLN A 1 5 ? -3.262 0.010 7.011 1.00 71.19 5 A 1 ATOM 43 N N . THR A 1 6 ? -5.000 -1.826 1.945 1.00 95.51 6 A 1 ATOM 44 C CA . THR A 1 6 ? -4.209 -2.496 0.917 1.00 95.89 6 A 1 ATOM 45 C C . THR A 1 6 ? -3.831 -1.519 -0.187 1.00 96.43 6 A 1 ATOM 46 O O . THR A 1 6 ? -2.707 -1.543 -0.696 1.00 95.52 6 A 1 ATOM 47 C CB . THR A 1 6 ? -4.980 -3.670 0.308 1.00 95.24 6 A 1 ATOM 48 O OG1 . THR A 1 6 ? -6.030 -4.073 1.167 1.00 88.83 6 A 1 ATOM 49 C CG2 . THR A 1 6 ? -4.051 -4.844 0.073 1.00 86.29 6 A 1 ATOM 50 N N . PHE A 1 7 ? -4.761 -0.674 -0.549 1.00 95.29 7 A 1 ATOM 51 C CA . PHE A 1 7 ? -4.517 0.319 -1.594 1.00 95.57 7 A 1 ATOM 52 C C . PHE A 1 7 ? -3.443 1.306 -1.157 1.00 96.18 7 A 1 ATOM 53 O O . PHE A 1 7 ? -2.558 1.660 -1.935 1.00 95.69 7 A 1 ATOM 54 C CB . PHE A 1 7 ? -5.809 1.062 -1.910 1.00 95.55 7 A 1 ATOM 55 C CG . PHE A 1 7 ? -5.658 2.014 -3.067 1.00 93.78 7 A 1 ATOM 56 C CD1 . PHE A 1 7 ? -5.474 1.534 -4.350 1.00 89.64 7 A 1 ATOM 57 C CD2 . PHE A 1 7 ? -5.685 3.382 -2.850 1.00 90.66 7 A 1 ATOM 58 C CE1 . PHE A 1 7 ? -5.324 2.407 -5.422 1.00 88.28 7 A 1 ATOM 59 C CE2 . PHE A 1 7 ? -5.534 4.266 -3.919 1.00 88.78 7 A 1 ATOM 60 C CZ . PHE A 1 7 ? -5.356 3.777 -5.202 1.00 88.61 7 A 1 ATOM 61 N N . LEU A 1 8 ? -3.532 1.739 0.095 1.00 96.64 8 A 1 ATOM 62 C CA . LEU A 1 8 ? -2.546 2.673 0.633 1.00 96.81 8 A 1 ATOM 63 C C . LEU A 1 8 ? -1.156 2.050 0.641 1.00 97.13 8 A 1 ATOM 64 O O . LEU A 1 8 ? -0.165 2.717 0.341 1.00 97.23 8 A 1 ATOM 65 C CB . LEU A 1 8 ? -2.942 3.074 2.052 1.00 96.68 8 A 1 ATOM 66 C CG . LEU A 1 8 ? -3.996 4.169 2.114 1.00 89.89 8 A 1 ATOM 67 C CD1 . LEU A 1 8 ? -4.726 4.124 3.445 1.00 86.63 8 A 1 ATOM 68 C CD2 . LEU A 1 8 ? -3.344 5.540 1.926 1.00 88.45 8 A 1 ATOM 69 N N . TYR A 1 9 ? -1.110 0.785 0.986 1.00 96.14 9 A 1 ATOM 70 C CA . TYR A 1 9 ? 0.163 0.066 1.023 1.00 96.16 9 A 1 ATOM 71 C C . TYR A 1 9 ? 0.751 -0.039 -0.380 1.00 96.59 9 A 1 ATOM 72 O O . TYR A 1 9 ? 1.958 0.115 -0.577 1.00 96.33 9 A 1 ATOM 73 C CB . TYR A 1 9 ? -0.056 -1.329 1.608 1.00 95.83 9 A 1 ATOM 74 C CG . TYR A 1 9 ? 1.120 -1.794 2.443 1.00 92.31 9 A 1 ATOM 75 C CD1 . TYR A 1 9 ? 2.387 -1.915 1.888 1.00 89.32 9 A 1 ATOM 76 C CD2 . TYR A 1 9 ? 0.949 -2.106 3.787 1.00 90.37 9 A 1 ATOM 77 C CE1 . TYR A 1 9 ? 3.467 -2.330 2.651 1.00 89.17 9 A 1 ATOM 78 C CE2 . TYR A 1 9 ? 2.026 -2.532 4.561 1.00 89.47 9 A 1 ATOM 79 C CZ . TYR A 1 9 ? 3.281 -2.641 3.984 1.00 89.94 9 A 1 ATOM 80 O OH . TYR A 1 9 ? 4.351 -3.063 4.737 1.00 87.83 9 A 1 ATOM 81 N N . PHE A 1 10 ? -0.107 -0.290 -1.338 1.00 96.54 10 A 1 ATOM 82 C CA . PHE A 1 10 ? 0.313 -0.386 -2.735 1.00 96.52 10 A 1 ATOM 83 C C . PHE A 1 10 ? 0.946 0.920 -3.203 1.00 96.96 10 A 1 ATOM 84 O O . PHE A 1 10 ? 2.006 0.919 -3.829 1.00 96.56 10 A 1 ATOM 85 C CB . PHE A 1 10 ? -0.895 -0.733 -3.606 1.00 96.32 10 A 1 ATOM 86 C CG . PHE A 1 10 ? -0.771 -0.220 -5.018 1.00 94.73 10 A 1 ATOM 87 C CD1 . PHE A 1 10 ? 0.152 -0.776 -5.893 1.00 91.49 10 A 1 ATOM 88 C CD2 . PHE A 1 10 ? -1.573 0.823 -5.455 1.00 92.48 10 A 1 ATOM 89 C CE1 . PHE A 1 10 ? 0.272 -0.300 -7.196 1.00 90.28 10 A 1 ATOM 90 C CE2 . PHE A 1 10 ? -1.453 1.304 -6.759 1.00 90.65 10 A 1 ATOM 91 C CZ . PHE A 1 10 ? -0.532 0.742 -7.623 1.00 90.11 10 A 1 ATOM 92 N N . LEU A 1 11 ? 0.285 2.017 -2.894 1.00 96.91 11 A 1 ATOM 93 C CA . LEU A 1 11 ? 0.799 3.329 -3.275 1.00 96.74 11 A 1 ATOM 94 C C . LEU A 1 11 ? 2.111 3.624 -2.565 1.00 97.00 11 A 1 ATOM 95 O O . LEU A 1 11 ? 3.032 4.192 -3.156 1.00 96.77 11 A 1 ATOM 96 C CB . LEU A 1 11 ? -0.231 4.401 -2.924 1.00 96.42 11 A 1 ATOM 97 C CG . LEU A 1 11 ? -1.172 4.741 -4.072 1.00 91.82 11 A 1 ATOM 98 C CD1 . LEU A 1 11 ? -2.448 5.372 -3.544 1.00 89.59 11 A 1 ATOM 99 C CD2 . LEU A 1 11 ? -0.489 5.681 -5.055 1.00 90.95 11 A 1 ATOM 100 N N . LEU A 1 12 ? 2.179 3.237 -1.303 1.00 97.07 12 A 1 ATOM 101 C CA . LEU A 1 12 ? 3.385 3.452 -0.511 1.00 96.88 12 A 1 ATOM 102 C C . LEU A 1 12 ? 4.572 2.728 -1.127 1.00 97.12 12 A 1 ATOM 103 O O . LEU A 1 12 ? 5.642 3.306 -1.302 1.00 96.73 12 A 1 ATOM 104 C CB . LEU A 1 12 ? 3.164 2.952 0.915 1.00 96.44 12 A 1 ATOM 105 C CG . LEU A 1 12 ? 4.187 3.494 1.905 1.00 91.23 12 A 1 ATOM 106 C CD1 . LEU A 1 12 ? 3.595 4.645 2.702 1.00 87.99 12 A 1 ATOM 107 C CD2 . LEU A 1 12 ? 4.647 2.389 2.843 1.00 89.67 12 A 1 ATOM 108 N N . THR A 1 13 ? 4.378 1.474 -1.453 1.00 97.62 13 A 1 ATOM 109 C CA . THR A 1 13 ? 5.453 0.676 -2.035 1.00 97.49 13 A 1 ATOM 110 C C . THR A 1 13 ? 5.814 1.191 -3.428 1.00 97.59 13 A 1 ATOM 111 O O . THR A 1 13 ? 6.966 1.116 -3.850 1.00 96.34 13 A 1 ATOM 112 C CB . THR A 1 13 ? 5.055 -0.810 -2.075 1.00 96.51 13 A 1 ATOM 113 O OG1 . THR A 1 13 ? 6.232 -1.592 -2.320 1.00 90.81 13 A 1 ATOM 114 C CG2 . THR A 1 13 ? 4.046 -1.111 -3.158 1.00 90.27 13 A 1 ATOM 115 N N . CYS A 1 14 ? 4.835 1.726 -4.126 1.00 97.72 14 A 1 ATOM 116 C CA . CYS A 1 14 ? 5.058 2.273 -5.460 1.00 97.57 14 A 1 ATOM 117 C C . CYS A 1 14 ? 5.968 3.495 -5.393 1.00 97.61 14 A 1 ATOM 118 O O . CYS A 1 14 ? 6.854 3.663 -6.229 1.00 96.32 14 A 1 ATOM 119 C CB . CYS A 1 14 ? 3.718 2.643 -6.093 1.00 96.75 14 A 1 ATOM 120 S SG . CYS A 1 14 ? 3.856 2.888 -7.867 1.00 92.75 14 A 1 ATOM 121 N N . VAL A 1 15 ? 5.750 4.327 -4.393 1.00 97.78 15 A 1 ATOM 122 C CA . VAL A 1 15 ? 6.565 5.527 -4.205 1.00 97.61 15 A 1 ATOM 123 C C . VAL A 1 15 ? 7.997 5.155 -3.849 1.00 97.70 15 A 1 ATOM 124 O O . VAL A 1 15 ? 8.947 5.791 -4.310 1.00 96.60 15 A 1 ATOM 125 C CB . VAL A 1 15 ? 5.970 6.420 -3.106 1.00 96.77 15 A 1 ATOM 126 C CG1 . VAL A 1 15 ? 6.880 7.607 -2.829 1.00 93.15 15 A 1 ATOM 127 C CG2 . VAL A 1 15 ? 4.592 6.911 -3.513 1.00 92.84 15 A 1 ATOM 128 N N . VAL A 1 16 ? 8.138 4.146 -3.021 1.00 97.78 16 A 1 ATOM 129 C CA . VAL A 1 16 ? 9.464 3.683 -2.609 1.00 97.39 16 A 1 ATOM 130 C C . VAL A 1 16 ? 10.208 3.074 -3.786 1.00 97.45 16 A 1 ATOM 131 O O . VAL A 1 16 ? 11.432 3.202 -3.895 1.00 96.41 16 A 1 ATOM 132 C CB . VAL A 1 16 ? 9.353 2.661 -1.469 1.00 96.17 16 A 1 ATOM 133 C CG1 . VAL A 1 16 ? 10.726 2.136 -1.086 1.00 92.21 16 A 1 ATOM 134 C CG2 . VAL A 1 16 ? 8.682 3.286 -0.261 1.00 92.45 16 A 1 ATOM 135 N N . SER A 1 17 ? 9.481 2.420 -4.647 1.00 97.50 17 A 1 ATOM 136 C CA . SER A 1 17 ? 10.060 1.773 -5.823 1.00 97.26 17 A 1 ATOM 137 C C . SER A 1 17 ? 10.027 2.679 -7.053 1.00 97.08 17 A 1 ATOM 138 O O . SER A 1 17 ? 10.287 2.229 -8.169 1.00 94.82 17 A 1 ATOM 139 C CB . SER A 1 17 ? 9.316 0.473 -6.118 1.00 95.47 17 A 1 ATOM 140 O OG . SER A 1 17 ? 10.048 -0.322 -7.013 1.00 87.23 17 A 1 ATOM 141 N N . ALA A 1 18 ? 9.713 3.936 -6.843 1.00 95.94 18 A 1 ATOM 142 C CA . ALA A 1 18 ? 9.604 4.886 -7.944 1.00 94.69 18 A 1 ATOM 143 C C . ALA A 1 18 ? 10.953 5.096 -8.630 1.00 93.63 18 A 1 ATOM 144 O O . ALA A 1 18 ? 11.959 5.292 -7.940 1.00 90.16 18 A 1 ATOM 145 C CB . ALA A 1 18 ? 9.052 6.213 -7.449 1.00 91.76 18 A 1 ATOM 146 O OXT . ALA A 1 18 ? 11.008 5.092 -9.859 1.00 83.09 18 A 1 #