# 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_spkb44791 # _entry.id spkb44791 # 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" "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" "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" "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 ARG 3 1 n LEU 4 1 n ILE 5 1 n THR 6 1 n LEU 7 1 n ILE 8 1 n LEU 9 1 n VAL 10 1 n SER 11 1 n LEU 12 1 n ALA 13 1 n ILE 14 1 n PRO 15 1 n PRO 16 1 n ILE 17 1 n TYR 18 1 n ALA 19 # _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 22:39:16)" _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 92.29 _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 87.33 1 1 A LYS 2 2 89.20 1 2 A ARG 3 2 86.80 1 3 A LEU 4 2 94.18 1 4 A ILE 5 2 94.88 1 5 A THR 6 2 95.13 1 6 A LEU 7 2 93.89 1 7 A ILE 8 2 94.61 1 8 A LEU 9 2 94.32 1 9 A VAL 10 2 95.55 1 10 A SER 11 2 94.56 1 11 A LEU 12 2 93.58 1 12 A ALA 13 2 96.12 1 13 A ILE 14 2 94.29 1 14 A PRO 15 2 95.06 1 15 A PRO 16 2 95.45 1 16 A ILE 17 2 92.94 1 17 A TYR 18 2 88.02 1 18 A ALA 19 2 83.45 1 19 # _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 ARG . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n PRO . 15 A 15 A 16 1 n PRO . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n TYR . 18 A 18 A 19 1 n ALA . 19 A 19 # _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 ? -5.671 15.494 -1.483 1.00 92.83 1 A 1 ATOM 2 C CA . MET A 1 1 ? -4.877 14.739 -0.492 1.00 94.67 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.637 13.310 -0.975 1.00 95.29 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.523 12.703 -1.571 1.00 93.16 1 A 1 ATOM 5 C CB . MET A 1 1 ? -5.602 14.710 0.855 1.00 90.66 1 A 1 ATOM 6 C CG . MET A 1 1 ? -5.729 16.087 1.492 1.00 83.59 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.613 16.054 3.057 1.00 79.68 1 A 1 ATOM 8 C CE . MET A 1 1 ? -6.651 17.797 3.447 1.00 68.75 1 A 1 ATOM 9 N N . LYS A 1 2 ? -3.444 12.778 -0.708 1.00 95.15 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -3.078 11.426 -1.123 1.00 96.21 2 A 1 ATOM 11 C C . LYS A 1 2 ? -2.776 10.533 0.083 1.00 96.82 2 A 1 ATOM 12 O O . LYS A 1 2 ? -1.700 9.937 0.176 1.00 95.54 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -1.870 11.482 -2.055 1.00 94.60 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -2.190 12.058 -3.422 1.00 88.04 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -0.952 12.095 -4.292 1.00 86.53 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -1.271 12.619 -5.674 1.00 78.43 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -0.038 12.729 -6.507 1.00 71.48 2 A 1 ATOM 18 N N . ARG A 1 3 ? -3.731 10.460 0.987 1.00 97.01 3 A 1 ATOM 19 C CA . ARG A 1 3 ? -3.563 9.644 2.191 1.00 97.62 3 A 1 ATOM 20 C C . ARG A 1 3 ? -3.945 8.183 1.939 1.00 98.04 3 A 1 ATOM 21 O O . ARG A 1 3 ? -3.486 7.287 2.638 1.00 96.71 3 A 1 ATOM 22 C CB . ARG A 1 3 ? -4.399 10.221 3.341 1.00 96.85 3 A 1 ATOM 23 C CG . ARG A 1 3 ? -3.771 11.454 3.982 1.00 91.23 3 A 1 ATOM 24 C CD . ARG A 1 3 ? -4.521 11.859 5.242 1.00 87.60 3 A 1 ATOM 25 N NE . ARG A 1 3 ? -3.818 12.914 5.979 1.00 79.85 3 A 1 ATOM 26 C CZ . ARG A 1 3 ? -3.918 14.209 5.705 1.00 75.48 3 A 1 ATOM 27 N NH1 . ARG A 1 3 ? -4.677 14.630 4.704 1.00 69.03 3 A 1 ATOM 28 N NH2 . ARG A 1 3 ? -3.251 15.093 6.422 1.00 65.34 3 A 1 ATOM 29 N N . LEU A 1 4 ? -4.784 7.967 0.936 1.00 97.52 4 A 1 ATOM 30 C CA . LEU A 1 4 ? -5.214 6.614 0.590 1.00 97.75 4 A 1 ATOM 31 C C . LEU A 1 4 ? -4.060 5.786 0.043 1.00 97.93 4 A 1 ATOM 32 O O . LEU A 1 4 ? -3.903 4.616 0.397 1.00 97.41 4 A 1 ATOM 33 C CB . LEU A 1 4 ? -6.351 6.674 -0.434 1.00 97.52 4 A 1 ATOM 34 C CG . LEU A 1 4 ? -7.739 6.874 0.166 1.00 92.26 4 A 1 ATOM 35 C CD1 . LEU A 1 4 ? -8.727 7.321 -0.891 1.00 86.66 4 A 1 ATOM 36 C CD2 . LEU A 1 4 ? -8.215 5.581 0.817 1.00 86.39 4 A 1 ATOM 37 N N . ILE A 1 5 ? -3.253 6.384 -0.812 1.00 97.46 5 A 1 ATOM 38 C CA . ILE A 1 5 ? -2.096 5.702 -1.397 1.00 97.00 5 A 1 ATOM 39 C C . ILE A 1 5 ? -1.085 5.313 -0.319 1.00 96.70 5 A 1 ATOM 40 O O . ILE A 1 5 ? -0.427 4.277 -0.419 1.00 96.07 5 A 1 ATOM 41 C CB . ILE A 1 5 ? -1.425 6.577 -2.478 1.00 96.92 5 A 1 ATOM 42 C CG1 . ILE A 1 5 ? -1.056 7.955 -1.943 1.00 93.52 5 A 1 ATOM 43 C CG2 . ILE A 1 5 ? -2.341 6.705 -3.704 1.00 92.95 5 A 1 ATOM 44 C CD1 . ILE A 1 5 ? 0.426 8.134 -1.715 1.00 88.38 5 A 1 ATOM 45 N N . THR A 1 6 ? -0.973 6.145 0.701 1.00 97.76 6 A 1 ATOM 46 C CA . THR A 1 6 ? -0.050 5.893 1.808 1.00 97.45 6 A 1 ATOM 47 C C . THR A 1 6 ? -0.531 4.700 2.631 1.00 97.23 6 A 1 ATOM 48 O O . THR A 1 6 ? 0.269 3.868 3.062 1.00 96.55 6 A 1 ATOM 49 C CB . THR A 1 6 ? 0.079 7.136 2.710 1.00 97.05 6 A 1 ATOM 50 O OG1 . THR A 1 6 ? 0.387 8.278 1.919 1.00 91.24 6 A 1 ATOM 51 C CG2 . THR A 1 6 ? 1.179 6.954 3.750 1.00 88.66 6 A 1 ATOM 52 N N . LEU A 1 7 ? -1.838 4.630 2.837 1.00 97.38 7 A 1 ATOM 53 C CA . LEU A 1 7 ? -2.435 3.539 3.601 1.00 97.01 7 A 1 ATOM 54 C C . LEU A 1 7 ? -2.254 2.212 2.875 1.00 97.06 7 A 1 ATOM 55 O O . LEU A 1 7 ? -1.947 1.192 3.497 1.00 96.70 7 A 1 ATOM 56 C CB . LEU A 1 7 ? -3.923 3.812 3.833 1.00 96.71 7 A 1 ATOM 57 C CG . LEU A 1 7 ? -4.600 2.899 4.849 1.00 90.59 7 A 1 ATOM 58 C CD1 . LEU A 1 7 ? -4.271 3.332 6.272 1.00 87.42 7 A 1 ATOM 59 C CD2 . LEU A 1 7 ? -6.103 2.884 4.644 1.00 88.29 7 A 1 ATOM 60 N N . ILE A 1 8 ? -2.441 2.233 1.568 1.00 96.24 8 A 1 ATOM 61 C CA . ILE A 1 8 ? -2.292 1.035 0.747 1.00 95.67 8 A 1 ATOM 62 C C . ILE A 1 8 ? -0.843 0.561 0.747 1.00 95.54 8 A 1 ATOM 63 O O . ILE A 1 8 ? -0.572 -0.643 0.804 1.00 95.01 8 A 1 ATOM 64 C CB . ILE A 1 8 ? -2.773 1.304 -0.694 1.00 95.96 8 A 1 ATOM 65 C CG1 . ILE A 1 8 ? -4.277 1.597 -0.716 1.00 94.83 8 A 1 ATOM 66 C CG2 . ILE A 1 8 ? -2.465 0.102 -1.596 1.00 93.91 8 A 1 ATOM 67 C CD1 . ILE A 1 8 ? -4.726 2.358 -1.943 1.00 89.71 8 A 1 ATOM 68 N N . LEU A 1 9 ? 0.074 1.507 0.688 1.00 96.48 9 A 1 ATOM 69 C CA . LEU A 1 9 ? 1.504 1.199 0.690 1.00 96.10 9 A 1 ATOM 70 C C . LEU A 1 9 ? 1.908 0.490 1.976 1.00 95.91 9 A 1 ATOM 71 O O . LEU A 1 9 ? 2.629 -0.509 1.945 1.00 95.52 9 A 1 ATOM 72 C CB . LEU A 1 9 ? 2.321 2.485 0.534 1.00 96.03 9 A 1 ATOM 73 C CG . LEU A 1 9 ? 3.799 2.264 0.232 1.00 92.76 9 A 1 ATOM 74 C CD1 . LEU A 1 9 ? 4.065 2.430 -1.258 1.00 90.53 9 A 1 ATOM 75 C CD2 . LEU A 1 9 ? 4.658 3.234 1.024 1.00 91.25 9 A 1 ATOM 76 N N . VAL A 1 10 ? 1.436 1.004 3.102 1.00 96.97 10 A 1 ATOM 77 C CA . VAL A 1 10 ? 1.743 0.430 4.411 1.00 96.48 10 A 1 ATOM 78 C C . VAL A 1 10 ? 1.065 -0.928 4.569 1.00 96.40 10 A 1 ATOM 79 O O . VAL A 1 10 ? 1.673 -1.881 5.060 1.00 95.61 10 A 1 ATOM 80 C CB . VAL A 1 10 ? 1.317 1.383 5.549 1.00 95.99 10 A 1 ATOM 81 C CG1 . VAL A 1 10 ? 1.555 0.756 6.913 1.00 93.69 10 A 1 ATOM 82 C CG2 . VAL A 1 10 ? 2.065 2.704 5.457 1.00 93.69 10 A 1 ATOM 83 N N . SER A 1 11 ? -0.177 -1.010 4.146 1.00 96.49 11 A 1 ATOM 84 C CA . SER A 1 11 ? -0.951 -2.244 4.236 1.00 96.02 11 A 1 ATOM 85 C C . SER A 1 11 ? -0.319 -3.356 3.401 1.00 96.16 11 A 1 ATOM 86 O O . SER A 1 11 ? -0.390 -4.531 3.764 1.00 94.88 11 A 1 ATOM 87 C CB . SER A 1 11 ? -2.385 -2.002 3.772 1.00 95.12 11 A 1 ATOM 88 O OG . SER A 1 11 ? -3.211 -3.092 4.096 1.00 88.68 11 A 1 ATOM 89 N N . LEU A 1 12 ? 0.294 -2.986 2.303 1.00 96.05 12 A 1 ATOM 90 C CA . LEU A 1 12 ? 0.954 -3.938 1.412 1.00 95.66 12 A 1 ATOM 91 C C . LEU A 1 12 ? 2.298 -4.392 1.972 1.00 96.13 12 A 1 ATOM 92 O O . LEU A 1 12 ? 2.766 -5.489 1.651 1.00 94.76 12 A 1 ATOM 93 C CB . LEU A 1 12 ? 1.157 -3.300 0.037 1.00 95.14 12 A 1 ATOM 94 C CG . LEU A 1 12 ? 1.566 -4.269 -1.064 1.00 92.90 12 A 1 ATOM 95 C CD1 . LEU A 1 12 ? 0.350 -5.029 -1.583 1.00 88.22 12 A 1 ATOM 96 C CD2 . LEU A 1 12 ? 2.244 -3.528 -2.200 1.00 89.81 12 A 1 ATOM 97 N N . ALA A 1 13 ? 2.904 -3.563 2.798 1.00 96.48 13 A 1 ATOM 98 C CA . ALA A 1 13 ? 4.209 -3.851 3.382 1.00 96.42 13 A 1 ATOM 99 C C . ALA A 1 13 ? 4.114 -4.477 4.773 1.00 96.78 13 A 1 ATOM 100 O O . ALA A 1 13 ? 5.117 -4.957 5.303 1.00 95.30 13 A 1 ATOM 101 C CB . ALA A 1 13 ? 5.044 -2.575 3.449 1.00 95.64 13 A 1 ATOM 102 N N . ILE A 1 14 ? 2.920 -4.467 5.355 1.00 96.50 14 A 1 ATOM 103 C CA . ILE A 1 14 ? 2.724 -5.044 6.687 1.00 96.38 14 A 1 ATOM 104 C C . ILE A 1 14 ? 2.950 -6.561 6.680 1.00 96.84 14 A 1 ATOM 105 O O . ILE A 1 14 ? 3.880 -7.050 7.326 1.00 95.97 14 A 1 ATOM 106 C CB . ILE A 1 14 ? 1.337 -4.682 7.267 1.00 95.62 14 A 1 ATOM 107 C CG1 . ILE A 1 14 ? 1.295 -3.226 7.723 1.00 92.36 14 A 1 ATOM 108 C CG2 . ILE A 1 14 ? 1.001 -5.591 8.454 1.00 92.31 14 A 1 ATOM 109 C CD1 . ILE A 1 14 ? -0.109 -2.675 7.861 1.00 88.37 14 A 1 ATOM 110 N N . PRO A 1 15 ? 2.104 -7.321 5.960 1.00 96.06 15 A 1 ATOM 111 C CA . PRO A 1 15 ? 2.266 -8.773 5.897 1.00 95.81 15 A 1 ATOM 112 C C . PRO A 1 15 ? 3.345 -9.177 4.892 1.00 96.29 15 A 1 ATOM 113 O O . PRO A 1 15 ? 3.330 -8.720 3.751 1.00 94.94 15 A 1 ATOM 114 C CB . PRO A 1 15 ? 0.889 -9.276 5.450 1.00 94.29 15 A 1 ATOM 115 C CG . PRO A 1 15 ? 0.246 -8.126 4.776 1.00 92.88 15 A 1 ATOM 116 C CD . PRO A 1 15 ? 0.962 -6.863 5.199 1.00 95.18 15 A 1 ATOM 117 N N . PRO A 1 16 ? 4.265 -10.056 5.306 1.00 96.35 16 A 1 ATOM 118 C CA . PRO A 1 16 ? 5.345 -10.508 4.420 1.00 96.32 16 A 1 ATOM 119 C C . PRO A 1 16 ? 4.860 -11.417 3.296 1.00 96.79 16 A 1 ATOM 120 O O . PRO A 1 16 ? 5.359 -11.346 2.171 1.00 94.93 16 A 1 ATOM 121 C CB . PRO A 1 16 ? 6.292 -11.254 5.363 1.00 95.12 16 A 1 ATOM 122 C CG . PRO A 1 16 ? 5.435 -11.681 6.510 1.00 93.22 16 A 1 ATOM 123 C CD . PRO A 1 16 ? 4.309 -10.677 6.625 1.00 95.43 16 A 1 ATOM 124 N N . ILE A 1 17 ? 3.896 -12.268 3.608 1.00 95.78 17 A 1 ATOM 125 C CA . ILE A 1 17 ? 3.355 -13.204 2.625 1.00 95.57 17 A 1 ATOM 126 C C . ILE A 1 17 ? 2.070 -12.665 2.009 1.00 95.65 17 A 1 ATOM 127 O O . ILE A 1 17 ? 1.009 -13.290 2.083 1.00 94.16 17 A 1 ATOM 128 C CB . ILE A 1 17 ? 3.095 -14.587 3.248 1.00 95.19 17 A 1 ATOM 129 C CG1 . ILE A 1 17 ? 4.289 -15.052 4.075 1.00 91.81 17 A 1 ATOM 130 C CG2 . ILE A 1 17 ? 2.799 -15.612 2.150 1.00 90.46 17 A 1 ATOM 131 C CD1 . ILE A 1 17 ? 3.962 -16.210 5.002 1.00 84.88 17 A 1 ATOM 132 N N . TYR A 1 18 ? 2.180 -11.488 1.417 1.00 93.22 18 A 1 ATOM 133 C CA . TYR A 1 18 ? 1.029 -10.857 0.784 1.00 92.01 18 A 1 ATOM 134 C C . TYR A 1 18 ? 0.748 -11.480 -0.581 1.00 91.75 18 A 1 ATOM 135 O O . TYR A 1 18 ? -0.392 -11.816 -0.894 1.00 90.04 18 A 1 ATOM 136 C CB . TYR A 1 18 ? 1.264 -9.351 0.636 1.00 91.59 18 A 1 ATOM 137 C CG . TYR A 1 18 ? 0.042 -8.522 0.975 1.00 87.64 18 A 1 ATOM 138 C CD1 . TYR A 1 18 ? -0.435 -8.455 2.279 1.00 85.51 18 A 1 ATOM 139 C CD2 . TYR A 1 18 ? -0.624 -7.808 -0.013 1.00 85.21 18 A 1 ATOM 140 C CE1 . TYR A 1 18 ? -1.554 -7.698 2.600 1.00 84.46 18 A 1 ATOM 141 C CE2 . TYR A 1 18 ? -1.751 -7.043 0.297 1.00 85.12 18 A 1 ATOM 142 C CZ . TYR A 1 18 ? -2.208 -6.993 1.607 1.00 85.58 18 A 1 ATOM 143 O OH . TYR A 1 18 ? -3.316 -6.242 1.920 1.00 84.14 18 A 1 ATOM 144 N N . ALA A 1 19 ? 1.793 -11.657 -1.362 1.00 90.53 19 A 1 ATOM 145 C CA . ALA A 1 19 ? 1.668 -12.230 -2.703 1.00 87.65 19 A 1 ATOM 146 C C . ALA A 1 19 ? 2.986 -12.836 -3.172 1.00 84.12 19 A 1 ATOM 147 O O . ALA A 1 19 ? 2.985 -13.644 -4.115 1.00 79.54 19 A 1 ATOM 148 C CB . ALA A 1 19 ? 1.197 -11.149 -3.676 1.00 83.51 19 A 1 ATOM 149 O OXT . ALA A 1 19 ? 4.047 -12.503 -2.639 1.00 75.33 19 A 1 #