# 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_spkb07673 # _entry.id spkb07673 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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" "C3 H7 N O3" 105.093 SER y SERINE C([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 ALA 3 1 n SER 4 1 n MET 5 1 n PHE 6 1 n LEU 7 1 n ALA 8 1 n LEU 9 1 n ALA 10 1 n GLY 11 1 n LEU 12 1 n ASP 13 1 n LEU 14 1 n LEU 15 1 n PHE 16 1 n VAL 17 1 n VAL 18 1 n CYS 19 1 n TYR 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 @ 2025-07-02 21:18:27)" _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 91.06 _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 81.03 1 1 A LYS 2 2 82.22 1 2 A ALA 3 2 93.30 1 3 A SER 4 2 91.70 1 4 A MET 5 2 87.57 1 5 A PHE 6 2 89.79 1 6 A LEU 7 2 90.74 1 7 A ALA 8 2 95.31 1 8 A LEU 9 2 92.19 1 9 A ALA 10 2 95.12 1 10 A GLY 11 2 95.49 1 11 A LEU 12 2 92.35 1 12 A ASP 13 2 91.76 1 13 A LEU 14 2 93.33 1 14 A LEU 15 2 94.01 1 15 A PHE 16 2 93.36 1 16 A VAL 17 2 95.65 1 17 A VAL 18 2 95.55 1 18 A CYS 19 2 95.15 1 19 A TYR 20 2 90.76 1 20 A ALA 21 2 83.31 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 ALA . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n MET . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ASP . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n CYS . 19 A 19 A 20 1 n TYR . 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 ? -14.511 -1.722 12.552 1.00 86.90 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.394 -1.536 11.599 1.00 87.89 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.040 -2.889 10.976 1.00 89.35 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.878 -3.865 11.706 1.00 85.35 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.164 -0.954 12.311 1.00 82.11 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.444 0.410 12.949 1.00 79.45 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.044 1.035 13.913 1.00 73.52 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.793 2.478 14.665 1.00 63.69 1 A 1 ATOM 9 N N . LYS A 1 2 ? -12.948 -2.977 9.647 1.00 89.34 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -12.614 -4.236 8.968 1.00 90.43 2 A 1 ATOM 11 C C . LYS A 1 2 ? -11.092 -4.373 8.851 1.00 90.86 2 A 1 ATOM 12 O O . LYS A 1 2 ? -10.437 -3.474 8.330 1.00 90.42 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -13.295 -4.298 7.596 1.00 86.98 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -14.817 -4.403 7.700 1.00 79.42 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -15.498 -4.409 6.327 1.00 77.42 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -15.510 -5.802 5.704 1.00 71.32 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -16.347 -5.828 4.478 1.00 63.78 2 A 1 ATOM 18 N N . ALA A 1 3 ? -10.529 -5.494 9.311 1.00 92.01 3 A 1 ATOM 19 C CA . ALA A 1 3 ? -9.084 -5.754 9.271 1.00 94.18 3 A 1 ATOM 20 C C . ALA A 1 3 ? -8.522 -5.709 7.838 1.00 94.78 3 A 1 ATOM 21 O O . ALA A 1 3 ? -7.389 -5.279 7.628 1.00 93.05 3 A 1 ATOM 22 C CB . ALA A 1 3 ? -8.811 -7.108 9.927 1.00 92.49 3 A 1 ATOM 23 N N . SER A 1 4 ? -9.324 -6.099 6.840 1.00 94.93 4 A 1 ATOM 24 C CA . SER A 1 4 ? -8.945 -6.067 5.422 1.00 94.81 4 A 1 ATOM 25 C C . SER A 1 4 ? -8.629 -4.652 4.919 1.00 95.06 4 A 1 ATOM 26 O O . SER A 1 4 ? -7.803 -4.489 4.023 1.00 94.12 4 A 1 ATOM 27 C CB . SER A 1 4 ? -10.064 -6.675 4.579 1.00 93.05 4 A 1 ATOM 28 O OG . SER A 1 4 ? -11.293 -6.017 4.810 1.00 78.25 4 A 1 ATOM 29 N N . MET A 1 5 ? -9.250 -3.621 5.498 1.00 93.16 5 A 1 ATOM 30 C CA . MET A 1 5 ? -9.013 -2.223 5.128 1.00 93.88 5 A 1 ATOM 31 C C . MET A 1 5 ? -7.594 -1.782 5.514 1.00 95.18 5 A 1 ATOM 32 O O . MET A 1 5 ? -6.907 -1.134 4.728 1.00 94.29 5 A 1 ATOM 33 C CB . MET A 1 5 ? -10.074 -1.336 5.794 1.00 92.66 5 A 1 ATOM 34 C CG . MET A 1 5 ? -10.519 -0.190 4.897 1.00 84.90 5 A 1 ATOM 35 S SD . MET A 1 5 ? -11.829 0.793 5.649 1.00 78.11 5 A 1 ATOM 36 C CE . MET A 1 5 ? -12.533 1.547 4.184 1.00 68.35 5 A 1 ATOM 37 N N . PHE A 1 6 ? -7.135 -2.173 6.716 1.00 94.38 6 A 1 ATOM 38 C CA . PHE A 1 6 ? -5.779 -1.878 7.180 1.00 94.68 6 A 1 ATOM 39 C C . PHE A 1 6 ? -4.731 -2.624 6.356 1.00 95.65 6 A 1 ATOM 40 O O . PHE A 1 6 ? -3.687 -2.062 6.024 1.00 95.55 6 A 1 ATOM 41 C CB . PHE A 1 6 ? -5.639 -2.235 8.662 1.00 94.41 6 A 1 ATOM 42 C CG . PHE A 1 6 ? -6.407 -1.307 9.573 1.00 89.60 6 A 1 ATOM 43 C CD1 . PHE A 1 6 ? -5.912 -0.031 9.853 1.00 86.35 6 A 1 ATOM 44 C CD2 . PHE A 1 6 ? -7.611 -1.717 10.149 1.00 85.56 6 A 1 ATOM 45 C CE1 . PHE A 1 6 ? -6.615 0.832 10.698 1.00 84.35 6 A 1 ATOM 46 C CE2 . PHE A 1 6 ? -8.321 -0.854 10.992 1.00 84.22 6 A 1 ATOM 47 C CZ . PHE A 1 6 ? -7.820 0.421 11.267 1.00 82.93 6 A 1 ATOM 48 N N . LEU A 1 7 ? -5.015 -3.876 5.978 1.00 94.73 7 A 1 ATOM 49 C CA . LEU A 1 7 ? -4.106 -4.673 5.151 1.00 94.87 7 A 1 ATOM 50 C C . LEU A 1 7 ? -3.944 -4.062 3.754 1.00 95.89 7 A 1 ATOM 51 O O . LEU A 1 7 ? -2.826 -3.980 3.241 1.00 95.54 7 A 1 ATOM 52 C CB . LEU A 1 7 ? -4.632 -6.112 5.068 1.00 94.23 7 A 1 ATOM 53 C CG . LEU A 1 7 ? -3.651 -7.091 4.416 1.00 85.83 7 A 1 ATOM 54 C CD1 . LEU A 1 7 ? -2.410 -7.304 5.272 1.00 81.85 7 A 1 ATOM 55 C CD2 . LEU A 1 7 ? -4.343 -8.429 4.184 1.00 82.99 7 A 1 ATOM 56 N N . ALA A 1 8 ? -5.033 -3.598 3.142 1.00 95.01 8 A 1 ATOM 57 C CA . ALA A 1 8 ? -4.998 -2.947 1.832 1.00 95.43 8 A 1 ATOM 58 C C . ALA A 1 8 ? -4.212 -1.628 1.877 1.00 96.18 8 A 1 ATOM 59 O O . ALA A 1 8 ? -3.393 -1.369 0.992 1.00 95.12 8 A 1 ATOM 60 C CB . ALA A 1 8 ? -6.433 -2.719 1.345 1.00 94.79 8 A 1 ATOM 61 N N . LEU A 1 9 ? -4.421 -0.816 2.917 1.00 95.06 9 A 1 ATOM 62 C CA . LEU A 1 9 ? -3.703 0.446 3.101 1.00 95.22 9 A 1 ATOM 63 C C . LEU A 1 9 ? -2.202 0.207 3.300 1.00 96.05 9 A 1 ATOM 64 O O . LEU A 1 9 ? -1.383 0.878 2.673 1.00 95.66 9 A 1 ATOM 65 C CB . LEU A 1 9 ? -4.310 1.207 4.290 1.00 94.75 9 A 1 ATOM 66 C CG . LEU A 1 9 ? -3.739 2.616 4.494 1.00 89.23 9 A 1 ATOM 67 C CD1 . LEU A 1 9 ? -4.089 3.543 3.335 1.00 85.78 9 A 1 ATOM 68 C CD2 . LEU A 1 9 ? -4.283 3.207 5.792 1.00 85.75 9 A 1 ATOM 69 N N . ALA A 1 10 ? -1.833 -0.770 4.133 1.00 94.97 10 A 1 ATOM 70 C CA . ALA A 1 10 ? -0.434 -1.134 4.373 1.00 95.20 10 A 1 ATOM 71 C C . ALA A 1 10 ? 0.246 -1.645 3.095 1.00 96.00 10 A 1 ATOM 72 O O . ALA A 1 10 ? 1.401 -1.314 2.833 1.00 94.81 10 A 1 ATOM 73 C CB . ALA A 1 10 ? -0.375 -2.186 5.487 1.00 94.60 10 A 1 ATOM 74 N N . GLY A 1 11 ? -0.460 -2.416 2.274 1.00 95.30 11 A 1 ATOM 75 C CA . GLY A 1 11 ? 0.063 -2.898 0.992 1.00 95.36 11 A 1 ATOM 76 C C . GLY A 1 11 ? 0.378 -1.765 0.019 1.00 96.20 11 A 1 ATOM 77 O O . GLY A 1 11 ? 1.431 -1.773 -0.622 1.00 95.11 11 A 1 ATOM 78 N N . LEU A 1 12 ? -0.495 -0.765 -0.076 1.00 95.26 12 A 1 ATOM 79 C CA . LEU A 1 12 ? -0.270 0.413 -0.921 1.00 95.48 12 A 1 ATOM 80 C C . LEU A 1 12 ? 0.910 1.250 -0.418 1.00 96.32 12 A 1 ATOM 81 O O . LEU A 1 12 ? 1.711 1.725 -1.225 1.00 95.56 12 A 1 ATOM 82 C CB . LEU A 1 12 ? -1.545 1.265 -0.975 1.00 94.72 12 A 1 ATOM 83 C CG . LEU A 1 12 ? -2.695 0.633 -1.768 1.00 90.35 12 A 1 ATOM 84 C CD1 . LEU A 1 12 ? -3.966 1.456 -1.574 1.00 85.62 12 A 1 ATOM 85 C CD2 . LEU A 1 12 ? -2.373 0.556 -3.258 1.00 85.50 12 A 1 ATOM 86 N N . ASP A 1 13 ? 1.040 1.409 0.902 1.00 94.31 13 A 1 ATOM 87 C CA . ASP A 1 13 ? 2.154 2.144 1.514 1.00 94.94 13 A 1 ATOM 88 C C . ASP A 1 13 ? 3.495 1.456 1.232 1.00 96.24 13 A 1 ATOM 89 O O . ASP A 1 13 ? 4.467 2.109 0.843 1.00 95.54 13 A 1 ATOM 90 C CB . ASP A 1 13 ? 1.905 2.280 3.023 1.00 93.79 13 A 1 ATOM 91 C CG . ASP A 1 13 ? 2.890 3.237 3.671 1.00 89.17 13 A 1 ATOM 92 O OD1 . ASP A 1 13 ? 2.938 4.408 3.239 1.00 85.36 13 A 1 ATOM 93 O OD2 . ASP A 1 13 ? 3.585 2.811 4.615 1.00 84.73 13 A 1 ATOM 94 N N . LEU A 1 14 ? 3.555 0.121 1.346 1.00 96.03 14 A 1 ATOM 95 C CA . LEU A 1 14 ? 4.760 -0.652 1.029 1.00 96.32 14 A 1 ATOM 96 C C . LEU A 1 14 ? 5.146 -0.518 -0.449 1.00 97.15 14 A 1 ATOM 97 O O . LEU A 1 14 ? 6.322 -0.329 -0.763 1.00 96.54 14 A 1 ATOM 98 C CB . LEU A 1 14 ? 4.538 -2.128 1.385 1.00 95.67 14 A 1 ATOM 99 C CG . LEU A 1 14 ? 4.544 -2.419 2.890 1.00 90.18 14 A 1 ATOM 100 C CD1 . LEU A 1 14 ? 4.075 -3.850 3.136 1.00 86.88 14 A 1 ATOM 101 C CD2 . LEU A 1 14 ? 5.940 -2.241 3.486 1.00 87.86 14 A 1 ATOM 102 N N . LEU A 1 15 ? 4.175 -0.579 -1.365 1.00 96.57 15 A 1 ATOM 103 C CA . LEU A 1 15 ? 4.429 -0.383 -2.795 1.00 96.67 15 A 1 ATOM 104 C C . LEU A 1 15 ? 4.989 1.014 -3.073 1.00 97.21 15 A 1 ATOM 105 O O . LEU A 1 15 ? 5.939 1.154 -3.846 1.00 96.90 15 A 1 ATOM 106 C CB . LEU A 1 15 ? 3.141 -0.606 -3.595 1.00 96.31 15 A 1 ATOM 107 C CG . LEU A 1 15 ? 2.732 -2.079 -3.738 1.00 91.78 15 A 1 ATOM 108 C CD1 . LEU A 1 15 ? 1.328 -2.167 -4.339 1.00 88.15 15 A 1 ATOM 109 C CD2 . LEU A 1 15 ? 3.707 -2.843 -4.636 1.00 88.50 15 A 1 ATOM 110 N N . PHE A 1 16 ? 4.440 2.046 -2.427 1.00 95.80 16 A 1 ATOM 111 C CA . PHE A 1 16 ? 4.926 3.417 -2.559 1.00 95.66 16 A 1 ATOM 112 C C . PHE A 1 16 ? 6.382 3.529 -2.098 1.00 96.47 16 A 1 ATOM 113 O O . PHE A 1 16 ? 7.223 4.038 -2.837 1.00 96.16 16 A 1 ATOM 114 C CB . PHE A 1 16 ? 4.016 4.365 -1.770 1.00 95.16 16 A 1 ATOM 115 C CG . PHE A 1 16 ? 4.448 5.810 -1.871 1.00 93.42 16 A 1 ATOM 116 C CD1 . PHE A 1 16 ? 5.234 6.391 -0.872 1.00 90.61 16 A 1 ATOM 117 C CD2 . PHE A 1 16 ? 4.082 6.570 -2.987 1.00 91.47 16 A 1 ATOM 118 C CE1 . PHE A 1 16 ? 5.657 7.722 -0.982 1.00 90.43 16 A 1 ATOM 119 C CE2 . PHE A 1 16 ? 4.505 7.902 -3.099 1.00 90.58 16 A 1 ATOM 120 C CZ . PHE A 1 16 ? 5.294 8.479 -2.099 1.00 91.16 16 A 1 ATOM 121 N N . VAL A 1 17 ? 6.699 3.012 -0.906 1.00 96.74 17 A 1 ATOM 122 C CA . VAL A 1 17 ? 8.062 3.061 -0.364 1.00 96.66 17 A 1 ATOM 123 C C . VAL A 1 17 ? 9.045 2.326 -1.281 1.00 97.08 17 A 1 ATOM 124 O O . VAL A 1 17 ? 10.082 2.882 -1.641 1.00 96.37 17 A 1 ATOM 125 C CB . VAL A 1 17 ? 8.100 2.503 1.076 1.00 95.81 17 A 1 ATOM 126 C CG1 . VAL A 1 17 ? 9.533 2.358 1.599 1.00 93.30 17 A 1 ATOM 127 C CG2 . VAL A 1 17 ? 7.344 3.426 2.023 1.00 93.56 17 A 1 ATOM 128 N N . VAL A 1 18 ? 8.727 1.106 -1.714 1.00 96.81 18 A 1 ATOM 129 C CA . VAL A 1 18 ? 9.619 0.303 -2.570 1.00 96.60 18 A 1 ATOM 130 C C . VAL A 1 18 ? 9.852 0.961 -3.937 1.00 96.91 18 A 1 ATOM 131 O O . VAL A 1 18 ? 10.971 0.918 -4.459 1.00 96.42 18 A 1 ATOM 132 C CB . VAL A 1 18 ? 9.064 -1.130 -2.724 1.00 95.98 18 A 1 ATOM 133 C CG1 . VAL A 1 18 ? 9.836 -1.949 -3.765 1.00 93.01 18 A 1 ATOM 134 C CG2 . VAL A 1 18 ? 9.139 -1.875 -1.389 1.00 93.13 18 A 1 ATOM 135 N N . CYS A 1 19 ? 8.833 1.585 -4.530 1.00 96.30 19 A 1 ATOM 136 C CA . CYS A 1 19 ? 8.943 2.183 -5.863 1.00 96.09 19 A 1 ATOM 137 C C . CYS A 1 19 ? 9.604 3.571 -5.865 1.00 96.32 19 A 1 ATOM 138 O O . CYS A 1 19 ? 10.163 3.968 -6.887 1.00 95.56 19 A 1 ATOM 139 C CB . CYS A 1 19 ? 7.551 2.264 -6.505 1.00 95.22 19 A 1 ATOM 140 S SG . CYS A 1 19 ? 6.897 0.624 -6.906 1.00 91.42 19 A 1 ATOM 141 N N . TYR A 1 20 ? 9.529 4.305 -4.757 1.00 95.00 20 A 1 ATOM 142 C CA . TYR A 1 20 ? 9.979 5.702 -4.691 1.00 94.68 20 A 1 ATOM 143 C C . TYR A 1 20 ? 11.138 5.931 -3.702 1.00 94.82 20 A 1 ATOM 144 O O . TYR A 1 20 ? 11.612 7.060 -3.584 1.00 94.10 20 A 1 ATOM 145 C CB . TYR A 1 20 ? 8.780 6.615 -4.383 1.00 93.87 20 A 1 ATOM 146 C CG . TYR A 1 20 ? 7.719 6.622 -5.472 1.00 89.86 20 A 1 ATOM 147 C CD1 . TYR A 1 20 ? 6.710 5.654 -5.490 1.00 89.06 20 A 1 ATOM 148 C CD2 . TYR A 1 20 ? 7.747 7.598 -6.476 1.00 88.26 20 A 1 ATOM 149 C CE1 . TYR A 1 20 ? 5.741 5.650 -6.499 1.00 88.13 20 A 1 ATOM 150 C CE2 . TYR A 1 20 ? 6.776 7.605 -7.486 1.00 87.82 20 A 1 ATOM 151 C CZ . TYR A 1 20 ? 5.777 6.628 -7.493 1.00 87.90 20 A 1 ATOM 152 O OH . TYR A 1 20 ? 4.825 6.625 -8.484 1.00 85.58 20 A 1 ATOM 153 N N . ALA A 1 21 ? 11.619 4.892 -3.000 1.00 90.37 21 A 1 ATOM 154 C CA . ALA A 1 21 ? 12.766 5.007 -2.100 1.00 88.20 21 A 1 ATOM 155 C C . ALA A 1 21 ? 14.093 4.867 -2.855 1.00 84.13 21 A 1 ATOM 156 O O . ALA A 1 21 ? 14.129 4.201 -3.912 1.00 80.37 21 A 1 ATOM 157 C CB . ALA A 1 21 ? 12.665 3.983 -0.967 1.00 82.82 21 A 1 ATOM 158 O OXT . ALA A 1 21 ? 15.108 5.410 -2.374 1.00 73.99 21 A 1 #