# 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_spkb11797 # _entry.id spkb11797 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "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 ARG 2 1 n PHE 3 1 n LYS 4 1 n LEU 5 1 n PHE 6 1 n VAL 7 1 n VAL 8 1 n CYS 9 1 n ALA 10 1 n LEU 11 1 n ALA 12 1 n CYS 13 1 n GLY 14 1 n PHE 15 1 n MET 16 1 n ALA 17 1 n PHE 18 1 n VAL 19 1 n LEU 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 @ 2025-07-08 13:43:36)" _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 93.85 _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 82.21 1 1 A ARG 2 2 85.09 1 2 A PHE 3 2 91.80 1 3 A LYS 4 2 91.51 1 4 A LEU 5 2 94.44 1 5 A PHE 6 2 94.70 1 6 A VAL 7 2 97.31 1 7 A VAL 8 2 97.63 1 8 A CYS 9 2 96.74 1 9 A ALA 10 2 98.28 1 10 A LEU 11 2 96.18 1 11 A ALA 12 2 98.03 1 12 A CYS 13 2 97.05 1 13 A GLY 14 2 98.07 1 14 A PHE 15 2 96.50 1 15 A MET 16 2 93.18 1 16 A ALA 17 2 98.10 1 17 A PHE 18 2 96.46 1 18 A VAL 19 2 96.70 1 19 A LEU 20 2 92.97 1 20 A ALA 21 2 88.35 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 ARG . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n MET . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n LEU . 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 ? -15.403 -5.725 8.800 1.00 88.05 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.467 -4.583 8.759 1.00 89.91 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.350 -4.882 7.757 1.00 92.59 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.483 -5.695 8.036 1.00 88.81 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.875 -4.339 10.149 1.00 84.03 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.904 -3.747 11.119 1.00 77.98 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.207 -3.502 12.769 1.00 72.30 1 A 1 ATOM 8 C CE . MET A 1 1 ? -15.558 -2.660 13.585 1.00 63.99 1 A 1 ATOM 9 N N . ARG A 1 2 ? -13.369 -4.253 6.579 1.00 95.50 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -12.367 -4.471 5.512 1.00 95.95 2 A 1 ATOM 11 C C . ARG A 1 2 ? -11.141 -3.546 5.648 1.00 96.57 2 A 1 ATOM 12 O O . ARG A 1 2 ? -10.357 -3.433 4.715 1.00 95.18 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -13.033 -4.334 4.130 1.00 93.57 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -13.989 -5.488 3.804 1.00 86.18 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -14.478 -5.357 2.363 1.00 83.71 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -15.313 -6.502 1.952 1.00 76.92 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -15.865 -6.658 0.758 1.00 74.96 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -15.732 -5.765 -0.187 1.00 70.01 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -16.563 -7.724 0.494 1.00 67.49 2 A 1 ATOM 20 N N . PHE A 1 3 ? -10.944 -2.901 6.799 1.00 95.72 3 A 1 ATOM 21 C CA . PHE A 1 3 ? -9.853 -1.951 7.036 1.00 96.34 3 A 1 ATOM 22 C C . PHE A 1 3 ? -8.463 -2.582 6.896 1.00 97.26 3 A 1 ATOM 23 O O . PHE A 1 3 ? -7.527 -1.899 6.482 1.00 96.16 3 A 1 ATOM 24 C CB . PHE A 1 3 ? -10.012 -1.336 8.426 1.00 95.29 3 A 1 ATOM 25 C CG . PHE A 1 3 ? -10.905 -0.120 8.410 1.00 91.86 3 A 1 ATOM 26 C CD1 . PHE A 1 3 ? -10.367 1.126 8.055 1.00 88.79 3 A 1 ATOM 27 C CD2 . PHE A 1 3 ? -12.261 -0.218 8.734 1.00 88.38 3 A 1 ATOM 28 C CE1 . PHE A 1 3 ? -11.174 2.266 8.022 1.00 86.75 3 A 1 ATOM 29 C CE2 . PHE A 1 3 ? -13.081 0.918 8.699 1.00 87.14 3 A 1 ATOM 30 C CZ . PHE A 1 3 ? -12.534 2.165 8.344 1.00 86.09 3 A 1 ATOM 31 N N . LYS A 1 4 ? -8.319 -3.889 7.162 1.00 96.88 4 A 1 ATOM 32 C CA . LYS A 1 4 ? -7.029 -4.581 7.022 1.00 97.34 4 A 1 ATOM 33 C C . LYS A 1 4 ? -6.505 -4.545 5.581 1.00 97.83 4 A 1 ATOM 34 O O . LYS A 1 4 ? -5.312 -4.344 5.380 1.00 97.54 4 A 1 ATOM 35 C CB . LYS A 1 4 ? -7.126 -6.026 7.527 1.00 96.92 4 A 1 ATOM 36 C CG . LYS A 1 4 ? -7.243 -6.098 9.056 1.00 92.42 4 A 1 ATOM 37 C CD . LYS A 1 4 ? -7.010 -7.526 9.561 1.00 88.00 4 A 1 ATOM 38 C CE . LYS A 1 4 ? -7.008 -7.577 11.087 1.00 81.99 4 A 1 ATOM 39 N NZ . LYS A 1 4 ? -6.621 -8.926 11.605 1.00 74.71 4 A 1 ATOM 40 N N . LEU A 1 5 ? -7.368 -4.669 4.581 1.00 97.26 5 A 1 ATOM 41 C CA . LEU A 1 5 ? -6.975 -4.593 3.170 1.00 97.55 5 A 1 ATOM 42 C C . LEU A 1 5 ? -6.506 -3.184 2.795 1.00 97.96 5 A 1 ATOM 43 O O . LEU A 1 5 ? -5.515 -3.041 2.085 1.00 97.65 5 A 1 ATOM 44 C CB . LEU A 1 5 ? -8.157 -5.011 2.284 1.00 97.29 5 A 1 ATOM 45 C CG . LEU A 1 5 ? -8.447 -6.514 2.323 1.00 91.61 5 A 1 ATOM 46 C CD1 . LEU A 1 5 ? -9.803 -6.783 1.674 1.00 87.81 5 A 1 ATOM 47 C CD2 . LEU A 1 5 ? -7.387 -7.310 1.566 1.00 88.35 5 A 1 ATOM 48 N N . PHE A 1 6 ? -7.174 -2.140 3.309 1.00 97.67 6 A 1 ATOM 49 C CA . PHE A 1 6 ? -6.780 -0.755 3.074 1.00 97.80 6 A 1 ATOM 50 C C . PHE A 1 6 ? -5.420 -0.443 3.688 1.00 98.02 6 A 1 ATOM 51 O O . PHE A 1 6 ? -4.579 0.161 3.028 1.00 97.56 6 A 1 ATOM 52 C CB . PHE A 1 6 ? -7.850 0.190 3.624 1.00 97.62 6 A 1 ATOM 53 C CG . PHE A 1 6 ? -8.733 0.735 2.531 1.00 95.21 6 A 1 ATOM 54 C CD1 . PHE A 1 6 ? -8.340 1.892 1.839 1.00 91.57 6 A 1 ATOM 55 C CD2 . PHE A 1 6 ? -9.928 0.090 2.190 1.00 92.21 6 A 1 ATOM 56 C CE1 . PHE A 1 6 ? -9.140 2.406 0.813 1.00 91.17 6 A 1 ATOM 57 C CE2 . PHE A 1 6 ? -10.732 0.601 1.163 1.00 91.67 6 A 1 ATOM 58 C CZ . PHE A 1 6 ? -10.341 1.763 0.474 1.00 91.15 6 A 1 ATOM 59 N N . VAL A 1 7 ? -5.169 -0.901 4.908 1.00 98.08 7 A 1 ATOM 60 C CA . VAL A 1 7 ? -3.890 -0.678 5.595 1.00 98.14 7 A 1 ATOM 61 C C . VAL A 1 7 ? -2.749 -1.383 4.862 1.00 98.16 7 A 1 ATOM 62 O O . VAL A 1 7 ? -1.722 -0.764 4.599 1.00 97.88 7 A 1 ATOM 63 C CB . VAL A 1 7 ? -3.974 -1.132 7.061 1.00 97.87 7 A 1 ATOM 64 C CG1 . VAL A 1 7 ? -2.623 -1.029 7.770 1.00 95.47 7 A 1 ATOM 65 C CG2 . VAL A 1 7 ? -4.969 -0.264 7.830 1.00 95.59 7 A 1 ATOM 66 N N . VAL A 1 8 ? -2.928 -2.640 4.472 1.00 98.27 8 A 1 ATOM 67 C CA . VAL A 1 8 ? -1.905 -3.405 3.743 1.00 98.25 8 A 1 ATOM 68 C C . VAL A 1 8 ? -1.646 -2.802 2.363 1.00 98.24 8 A 1 ATOM 69 O O . VAL A 1 8 ? -0.490 -2.655 1.968 1.00 97.98 8 A 1 ATOM 70 C CB . VAL A 1 8 ? -2.310 -4.887 3.637 1.00 98.07 8 A 1 ATOM 71 C CG1 . VAL A 1 8 ? -1.357 -5.688 2.749 1.00 96.24 8 A 1 ATOM 72 C CG2 . VAL A 1 8 ? -2.303 -5.541 5.019 1.00 96.37 8 A 1 ATOM 73 N N . CYS A 1 9 ? -2.684 -2.406 1.639 1.00 97.97 9 A 1 ATOM 74 C CA . CYS A 1 9 ? -2.545 -1.802 0.317 1.00 97.81 9 A 1 ATOM 75 C C . CYS A 1 9 ? -1.870 -0.424 0.392 1.00 97.88 9 A 1 ATOM 76 O O . CYS A 1 9 ? -0.962 -0.142 -0.383 1.00 97.21 9 A 1 ATOM 77 C CB . CYS A 1 9 ? -3.932 -1.725 -0.331 1.00 97.28 9 A 1 ATOM 78 S SG . CYS A 1 9 ? -3.768 -1.328 -2.083 1.00 92.30 9 A 1 ATOM 79 N N . ALA A 1 10 ? -2.267 0.415 1.340 1.00 98.34 10 A 1 ATOM 80 C CA . ALA A 1 10 ? -1.670 1.731 1.542 1.00 98.39 10 A 1 ATOM 81 C C . ALA A 1 10 ? -0.204 1.628 1.984 1.00 98.47 10 A 1 ATOM 82 O O . ALA A 1 10 ? 0.634 2.367 1.473 1.00 98.04 10 A 1 ATOM 83 C CB . ALA A 1 10 ? -2.505 2.497 2.570 1.00 98.17 10 A 1 ATOM 84 N N . LEU A 1 11 ? 0.118 0.684 2.868 1.00 98.29 11 A 1 ATOM 85 C CA . LEU A 1 11 ? 1.490 0.462 3.318 1.00 98.21 11 A 1 ATOM 86 C C . LEU A 1 11 ? 2.362 -0.050 2.173 1.00 98.30 11 A 1 ATOM 87 O O . LEU A 1 11 ? 3.427 0.508 1.924 1.00 97.99 11 A 1 ATOM 88 C CB . LEU A 1 11 ? 1.496 -0.520 4.499 1.00 98.05 11 A 1 ATOM 89 C CG . LEU A 1 11 ? 2.576 -0.176 5.536 1.00 94.57 11 A 1 ATOM 90 C CD1 . LEU A 1 11 ? 2.068 0.891 6.507 1.00 91.47 11 A 1 ATOM 91 C CD2 . LEU A 1 11 ? 2.957 -1.416 6.336 1.00 92.56 11 A 1 ATOM 92 N N . ALA A 1 12 ? 1.914 -1.073 1.439 1.00 98.30 12 A 1 ATOM 93 C CA . ALA A 1 12 ? 2.687 -1.662 0.349 1.00 98.19 12 A 1 ATOM 94 C C . ALA A 1 12 ? 2.890 -0.683 -0.815 1.00 98.23 12 A 1 ATOM 95 O O . ALA A 1 12 ? 3.994 -0.584 -1.346 1.00 97.59 12 A 1 ATOM 96 C CB . ALA A 1 12 ? 1.972 -2.939 -0.115 1.00 97.85 12 A 1 ATOM 97 N N . CYS A 1 13 ? 1.859 0.063 -1.203 1.00 98.01 13 A 1 ATOM 98 C CA . CYS A 1 13 ? 1.946 1.013 -2.311 1.00 97.90 13 A 1 ATOM 99 C C . CYS A 1 13 ? 2.739 2.267 -1.926 1.00 98.04 13 A 1 ATOM 100 O O . CYS A 1 13 ? 3.598 2.711 -2.680 1.00 97.10 13 A 1 ATOM 101 C CB . CYS A 1 13 ? 0.523 1.348 -2.772 1.00 97.23 13 A 1 ATOM 102 S SG . CYS A 1 13 ? 0.573 2.190 -4.369 1.00 94.03 13 A 1 ATOM 103 N N . GLY A 1 14 ? 2.471 2.826 -0.760 1.00 98.07 14 A 1 ATOM 104 C CA . GLY A 1 14 ? 3.152 4.034 -0.290 1.00 98.05 14 A 1 ATOM 105 C C . GLY A 1 14 ? 4.621 3.792 0.053 1.00 98.25 14 A 1 ATOM 106 O O . GLY A 1 14 ? 5.480 4.570 -0.346 1.00 97.90 14 A 1 ATOM 107 N N . PHE A 1 15 ? 4.923 2.694 0.756 1.00 98.04 15 A 1 ATOM 108 C CA . PHE A 1 15 ? 6.289 2.391 1.187 1.00 98.07 15 A 1 ATOM 109 C C . PHE A 1 15 ? 7.192 2.076 -0.003 1.00 98.21 15 A 1 ATOM 110 O O . PHE A 1 15 ? 8.283 2.633 -0.106 1.00 97.92 15 A 1 ATOM 111 C CB . PHE A 1 15 ? 6.248 1.243 2.196 1.00 97.86 15 A 1 ATOM 112 C CG . PHE A 1 15 ? 7.517 1.111 3.003 1.00 96.95 15 A 1 ATOM 113 C CD1 . PHE A 1 15 ? 7.755 1.985 4.074 1.00 95.29 15 A 1 ATOM 114 C CD2 . PHE A 1 15 ? 8.457 0.116 2.701 1.00 95.50 15 A 1 ATOM 115 C CE1 . PHE A 1 15 ? 8.926 1.869 4.833 1.00 94.41 15 A 1 ATOM 116 C CE2 . PHE A 1 15 ? 9.633 -0.002 3.460 1.00 94.43 15 A 1 ATOM 117 C CZ . PHE A 1 15 ? 9.866 0.877 4.525 1.00 94.82 15 A 1 ATOM 118 N N . MET A 1 16 ? 6.729 1.238 -0.952 1.00 97.79 16 A 1 ATOM 119 C CA . MET A 1 16 ? 7.494 0.937 -2.165 1.00 97.74 16 A 1 ATOM 120 C C . MET A 1 16 ? 7.721 2.179 -3.023 1.00 97.98 16 A 1 ATOM 121 O O . MET A 1 16 ? 8.827 2.388 -3.504 1.00 97.41 16 A 1 ATOM 122 C CB . MET A 1 16 ? 6.775 -0.141 -2.984 1.00 97.25 16 A 1 ATOM 123 C CG . MET A 1 16 ? 7.205 -1.538 -2.548 1.00 92.78 16 A 1 ATOM 124 S SD . MET A 1 16 ? 8.847 -1.974 -3.168 1.00 86.41 16 A 1 ATOM 125 C CE . MET A 1 16 ? 8.941 -3.702 -2.654 1.00 78.07 16 A 1 ATOM 126 N N . ALA A 1 17 ? 6.716 3.038 -3.189 1.00 98.27 17 A 1 ATOM 127 C CA . ALA A 1 17 ? 6.859 4.271 -3.954 1.00 98.26 17 A 1 ATOM 128 C C . ALA A 1 17 ? 7.892 5.218 -3.328 1.00 98.38 17 A 1 ATOM 129 O O . ALA A 1 17 ? 8.684 5.811 -4.049 1.00 97.78 17 A 1 ATOM 130 C CB . ALA A 1 17 ? 5.489 4.938 -4.072 1.00 97.80 17 A 1 ATOM 131 N N . PHE A 1 18 ? 7.916 5.342 -1.993 1.00 97.85 18 A 1 ATOM 132 C CA . PHE A 1 18 ? 8.852 6.227 -1.294 1.00 97.85 18 A 1 ATOM 133 C C . PHE A 1 18 ? 10.285 5.688 -1.295 1.00 98.06 18 A 1 ATOM 134 O O . PHE A 1 18 ? 11.232 6.462 -1.362 1.00 97.55 18 A 1 ATOM 135 C CB . PHE A 1 18 ? 8.351 6.439 0.136 1.00 97.54 18 A 1 ATOM 136 C CG . PHE A 1 18 ? 8.816 7.751 0.722 1.00 96.73 18 A 1 ATOM 137 C CD1 . PHE A 1 18 ? 10.022 7.837 1.425 1.00 95.21 18 A 1 ATOM 138 C CD2 . PHE A 1 18 ? 8.033 8.903 0.542 1.00 95.18 18 A 1 ATOM 139 C CE1 . PHE A 1 18 ? 10.453 9.066 1.947 1.00 95.00 18 A 1 ATOM 140 C CE2 . PHE A 1 18 ? 8.458 10.133 1.064 1.00 94.89 18 A 1 ATOM 141 C CZ . PHE A 1 18 ? 9.667 10.213 1.766 1.00 95.20 18 A 1 ATOM 142 N N . VAL A 1 19 ? 10.457 4.364 -1.243 1.00 97.85 19 A 1 ATOM 143 C CA . VAL A 1 19 ? 11.790 3.735 -1.241 1.00 97.73 19 A 1 ATOM 144 C C . VAL A 1 19 ? 12.400 3.700 -2.645 1.00 97.80 19 A 1 ATOM 145 O O . VAL A 1 19 ? 13.617 3.811 -2.787 1.00 97.23 19 A 1 ATOM 146 C CB . VAL A 1 19 ? 11.705 2.322 -0.630 1.00 97.24 19 A 1 ATOM 147 C CG1 . VAL A 1 19 ? 13.008 1.535 -0.762 1.00 94.65 19 A 1 ATOM 148 C CG2 . VAL A 1 19 ? 11.383 2.402 0.860 1.00 94.40 19 A 1 ATOM 149 N N . LEU A 1 20 ? 11.584 3.541 -3.679 1.00 96.75 20 A 1 ATOM 150 C CA . LEU A 1 20 ? 12.050 3.466 -5.066 1.00 96.45 20 A 1 ATOM 151 C C . LEU A 1 20 ? 12.258 4.842 -5.704 1.00 96.54 20 A 1 ATOM 152 O O . LEU A 1 20 ? 13.046 4.945 -6.643 1.00 95.24 20 A 1 ATOM 153 C CB . LEU A 1 20 ? 11.036 2.652 -5.887 1.00 95.64 20 A 1 ATOM 154 C CG . LEU A 1 20 ? 11.083 1.142 -5.609 1.00 92.07 20 A 1 ATOM 155 C CD1 . LEU A 1 20 ? 9.845 0.474 -6.205 1.00 86.24 20 A 1 ATOM 156 C CD2 . LEU A 1 20 ? 12.315 0.492 -6.234 1.00 84.87 20 A 1 ATOM 157 N N . ALA A 1 21 ? 11.567 5.869 -5.225 1.00 94.18 21 A 1 ATOM 158 C CA . ALA A 1 21 ? 11.681 7.238 -5.740 1.00 92.69 21 A 1 ATOM 159 C C . ALA A 1 21 ? 12.866 7.969 -5.113 1.00 90.77 21 A 1 ATOM 160 O O . ALA A 1 21 ? 13.614 8.623 -5.875 1.00 85.67 21 A 1 ATOM 161 C CB . ALA A 1 21 ? 10.368 7.977 -5.480 1.00 88.54 21 A 1 ATOM 162 O OXT . ALA A 1 21 ? 13.015 7.892 -3.877 1.00 78.26 21 A 1 #