# 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_spkb16107 # _entry.id spkb16107 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "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 CYS 2 1 n ARG 3 1 n LEU 4 1 n TYR 5 1 n ALA 6 1 n ILE 7 1 n ILE 8 1 n LEU 9 1 n ILE 10 1 n VAL 11 1 n LEU 12 1 n VAL 13 1 n MET 14 1 n ASN 15 1 n VAL 16 1 n ILE 17 1 n MET 18 1 n THR 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 @ 2025-07-02 18:17:19)" _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 94.26 _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 88.01 1 1 A CYS 2 2 89.84 1 2 A ARG 3 2 88.49 1 3 A LEU 4 2 94.75 1 4 A TYR 5 2 94.33 1 5 A ALA 6 2 97.85 1 6 A ILE 7 2 96.63 1 7 A ILE 8 2 96.45 1 8 A LEU 9 2 95.58 1 9 A ILE 10 2 96.36 1 10 A VAL 11 2 97.55 1 11 A LEU 12 2 95.08 1 12 A VAL 13 2 97.56 1 13 A MET 14 2 93.62 1 14 A ASN 15 2 95.19 1 15 A VAL 16 2 97.32 1 16 A ILE 17 2 97.01 1 17 A MET 18 2 92.75 1 18 A THR 19 2 90.14 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 CYS . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n TYR . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n MET . 14 A 14 A 15 1 n ASN . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n MET . 18 A 18 A 19 1 n THR . 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 ? -11.421 -2.542 8.325 1.00 93.13 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.093 -3.140 8.050 1.00 93.88 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.015 -2.061 7.916 1.00 94.42 1 A 1 ATOM 4 O O . MET A 1 1 ? -8.325 -1.972 6.905 1.00 93.73 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.149 -3.995 6.781 1.00 91.57 1 A 1 ATOM 6 C CG . MET A 1 1 ? -10.862 -5.320 7.006 1.00 85.01 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.719 -6.385 5.559 1.00 80.52 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.332 -7.923 6.238 1.00 71.79 1 A 1 ATOM 9 N N . CYS A 1 2 ? -8.870 -1.230 8.937 1.00 91.07 2 A 1 ATOM 10 C CA . CYS A 1 2 ? -7.975 -0.069 8.877 1.00 93.31 2 A 1 ATOM 11 C C . CYS A 1 2 ? -6.495 -0.467 8.826 1.00 95.36 2 A 1 ATOM 12 O O . CYS A 1 2 ? -5.692 0.238 8.227 1.00 93.76 2 A 1 ATOM 13 C CB . CYS A 1 2 ? -8.246 0.833 10.084 1.00 87.69 2 A 1 ATOM 14 S SG . CYS A 1 2 ? -10.026 1.107 10.308 1.00 77.86 2 A 1 ATOM 15 N N . ARG A 1 3 ? -6.138 -1.602 9.441 1.00 96.23 3 A 1 ATOM 16 C CA . ARG A 1 3 ? -4.733 -2.042 9.516 1.00 97.22 3 A 1 ATOM 17 C C . ARG A 1 3 ? -4.184 -2.433 8.145 1.00 97.77 3 A 1 ATOM 18 O O . ARG A 1 3 ? -3.074 -2.032 7.802 1.00 97.13 3 A 1 ATOM 19 C CB . ARG A 1 3 ? -4.593 -3.211 10.500 1.00 96.50 3 A 1 ATOM 20 C CG . ARG A 1 3 ? -4.851 -2.788 11.943 1.00 90.25 3 A 1 ATOM 21 C CD . ARG A 1 3 ? -4.665 -3.975 12.881 1.00 88.90 3 A 1 ATOM 22 N NE . ARG A 1 3 ? -4.903 -3.601 14.283 1.00 83.08 3 A 1 ATOM 23 C CZ . ARG A 1 3 ? -4.947 -4.449 15.301 1.00 79.46 3 A 1 ATOM 24 N NH1 . ARG A 1 3 ? -4.780 -5.735 15.130 1.00 73.66 3 A 1 ATOM 25 N NH2 . ARG A 1 3 ? -5.168 -4.001 16.507 1.00 73.21 3 A 1 ATOM 26 N N . LEU A 1 4 ? -4.944 -3.167 7.360 1.00 97.19 4 A 1 ATOM 27 C CA . LEU A 1 4 ? -4.517 -3.587 6.027 1.00 97.52 4 A 1 ATOM 28 C C . LEU A 1 4 ? -4.377 -2.379 5.100 1.00 97.89 4 A 1 ATOM 29 O O . LEU A 1 4 ? -3.376 -2.244 4.396 1.00 97.74 4 A 1 ATOM 30 C CB . LEU A 1 4 ? -5.520 -4.606 5.473 1.00 97.21 4 A 1 ATOM 31 C CG . LEU A 1 4 ? -5.002 -5.331 4.222 1.00 91.73 4 A 1 ATOM 32 C CD1 . LEU A 1 4 ? -3.941 -6.363 4.584 1.00 89.17 4 A 1 ATOM 33 C CD2 . LEU A 1 4 ? -6.156 -6.031 3.513 1.00 89.54 4 A 1 ATOM 34 N N . TYR A 1 5 ? -5.350 -1.484 5.136 1.00 98.03 5 A 1 ATOM 35 C CA . TYR A 1 5 ? -5.318 -0.259 4.342 1.00 98.01 5 A 1 ATOM 36 C C . TYR A 1 5 ? -4.180 0.669 4.769 1.00 98.09 5 A 1 ATOM 37 O O . TYR A 1 5 ? -3.584 1.328 3.920 1.00 97.73 5 A 1 ATOM 38 C CB . TYR A 1 5 ? -6.670 0.448 4.434 1.00 97.64 5 A 1 ATOM 39 C CG . TYR A 1 5 ? -7.694 -0.136 3.485 1.00 94.99 5 A 1 ATOM 40 C CD1 . TYR A 1 5 ? -7.663 0.206 2.127 1.00 92.42 5 A 1 ATOM 41 C CD2 . TYR A 1 5 ? -8.675 -1.022 3.946 1.00 92.30 5 A 1 ATOM 42 C CE1 . TYR A 1 5 ? -8.604 -0.329 1.242 1.00 91.10 5 A 1 ATOM 43 C CE2 . TYR A 1 5 ? -9.621 -1.563 3.065 1.00 91.21 5 A 1 ATOM 44 C CZ . TYR A 1 5 ? -9.578 -1.210 1.714 1.00 90.79 5 A 1 ATOM 45 O OH . TYR A 1 5 ? -10.504 -1.733 0.848 1.00 89.69 5 A 1 ATOM 46 N N . ALA A 1 6 ? -3.836 0.689 6.047 1.00 97.92 6 A 1 ATOM 47 C CA . ALA A 1 6 ? -2.701 1.473 6.533 1.00 98.00 6 A 1 ATOM 48 C C . ALA A 1 6 ? -1.376 0.973 5.939 1.00 98.12 6 A 1 ATOM 49 O O . ALA A 1 6 ? -0.542 1.778 5.525 1.00 97.63 6 A 1 ATOM 50 C CB . ALA A 1 6 ? -2.678 1.426 8.062 1.00 97.58 6 A 1 ATOM 51 N N . ILE A 1 7 ? -1.202 -0.345 5.852 1.00 97.99 7 A 1 ATOM 52 C CA . ILE A 1 7 ? -0.006 -0.934 5.243 1.00 97.97 7 A 1 ATOM 53 C C . ILE A 1 7 ? 0.055 -0.588 3.753 1.00 98.09 7 A 1 ATOM 54 O O . ILE A 1 7 ? 1.100 -0.167 3.254 1.00 97.70 7 A 1 ATOM 55 C CB . ILE A 1 7 ? 0.023 -2.457 5.475 1.00 97.76 7 A 1 ATOM 56 C CG1 . ILE A 1 7 ? 0.162 -2.768 6.979 1.00 95.96 7 A 1 ATOM 57 C CG2 . ILE A 1 7 ? 1.185 -3.097 4.704 1.00 95.71 7 A 1 ATOM 58 C CD1 . ILE A 1 7 ? -0.163 -4.221 7.323 1.00 91.87 7 A 1 ATOM 59 N N . ILE A 1 8 ? -1.064 -0.715 3.054 1.00 97.74 8 A 1 ATOM 60 C CA . ILE A 1 8 ? -1.145 -0.367 1.631 1.00 97.71 8 A 1 ATOM 61 C C . ILE A 1 8 ? -0.826 1.116 1.421 1.00 97.85 8 A 1 ATOM 62 O O . ILE A 1 8 ? -0.108 1.466 0.480 1.00 97.61 8 A 1 ATOM 63 C CB . ILE A 1 8 ? -2.536 -0.736 1.073 1.00 97.58 8 A 1 ATOM 64 C CG1 . ILE A 1 8 ? -2.733 -2.266 1.099 1.00 95.91 8 A 1 ATOM 65 C CG2 . ILE A 1 8 ? -2.703 -0.219 -0.364 1.00 95.55 8 A 1 ATOM 66 C CD1 . ILE A 1 8 ? -4.180 -2.697 0.888 1.00 91.69 8 A 1 ATOM 67 N N . LEU A 1 9 ? -1.313 1.969 2.298 1.00 97.93 9 A 1 ATOM 68 C CA . LEU A 1 9 ? -1.042 3.402 2.234 1.00 97.90 9 A 1 ATOM 69 C C . LEU A 1 9 ? 0.453 3.695 2.385 1.00 98.05 9 A 1 ATOM 70 O O . LEU A 1 9 ? 0.997 4.510 1.641 1.00 97.83 9 A 1 ATOM 71 C CB . LEU A 1 9 ? -1.858 4.113 3.319 1.00 97.56 9 A 1 ATOM 72 C CG . LEU A 1 9 ? -1.779 5.639 3.239 1.00 92.76 9 A 1 ATOM 73 C CD1 . LEU A 1 9 ? -2.541 6.171 2.019 1.00 91.06 9 A 1 ATOM 74 C CD2 . LEU A 1 9 ? -2.383 6.252 4.499 1.00 91.55 9 A 1 ATOM 75 N N . ILE A 1 10 ? 1.125 3.021 3.309 1.00 97.93 10 A 1 ATOM 76 C CA . ILE A 1 10 ? 2.570 3.187 3.510 1.00 97.80 10 A 1 ATOM 77 C C . ILE A 1 10 ? 3.334 2.767 2.251 1.00 98.04 10 A 1 ATOM 78 O O . ILE A 1 10 ? 4.234 3.485 1.803 1.00 97.70 10 A 1 ATOM 79 C CB . ILE A 1 10 ? 3.033 2.392 4.748 1.00 97.48 10 A 1 ATOM 80 C CG1 . ILE A 1 10 ? 2.452 3.012 6.036 1.00 95.44 10 A 1 ATOM 81 C CG2 . ILE A 1 10 ? 4.567 2.366 4.841 1.00 95.27 10 A 1 ATOM 82 C CD1 . ILE A 1 10 ? 2.509 2.067 7.233 1.00 91.23 10 A 1 ATOM 83 N N . VAL A 1 11 ? 2.959 1.647 1.655 1.00 98.19 11 A 1 ATOM 84 C CA . VAL A 1 11 ? 3.582 1.170 0.414 1.00 98.15 11 A 1 ATOM 85 C C . VAL A 1 11 ? 3.351 2.166 -0.724 1.00 98.29 11 A 1 ATOM 86 O O . VAL A 1 11 ? 4.270 2.448 -1.497 1.00 98.00 11 A 1 ATOM 87 C CB . VAL A 1 11 ? 3.052 -0.230 0.048 1.00 97.79 11 A 1 ATOM 88 C CG1 . VAL A 1 11 ? 3.579 -0.705 -1.301 1.00 96.19 11 A 1 ATOM 89 C CG2 . VAL A 1 11 ? 3.473 -1.250 1.103 1.00 96.27 11 A 1 ATOM 90 N N . LEU A 1 12 ? 2.164 2.733 -0.804 1.00 98.17 12 A 1 ATOM 91 C CA . LEU A 1 12 ? 1.844 3.751 -1.799 1.00 98.09 12 A 1 ATOM 92 C C . LEU A 1 12 ? 2.723 4.989 -1.624 1.00 98.26 12 A 1 ATOM 93 O O . LEU A 1 12 ? 3.268 5.499 -2.603 1.00 97.87 12 A 1 ATOM 94 C CB . LEU A 1 12 ? 0.359 4.107 -1.683 1.00 97.74 12 A 1 ATOM 95 C CG . LEU A 1 12 ? -0.117 5.058 -2.784 1.00 91.40 12 A 1 ATOM 96 C CD1 . LEU A 1 12 ? -0.216 4.338 -4.129 1.00 88.84 12 A 1 ATOM 97 C CD2 . LEU A 1 12 ? -1.488 5.619 -2.423 1.00 90.25 12 A 1 ATOM 98 N N . VAL A 1 13 ? 2.894 5.442 -0.399 1.00 98.48 13 A 1 ATOM 99 C CA . VAL A 1 13 ? 3.755 6.593 -0.100 1.00 98.43 13 A 1 ATOM 100 C C . VAL A 1 13 ? 5.204 6.297 -0.488 1.00 98.46 13 A 1 ATOM 101 O O . VAL A 1 13 ? 5.859 7.140 -1.102 1.00 97.93 13 A 1 ATOM 102 C CB . VAL A 1 13 ? 3.638 6.988 1.384 1.00 97.99 13 A 1 ATOM 103 C CG1 . VAL A 1 13 ? 4.648 8.062 1.770 1.00 95.52 13 A 1 ATOM 104 C CG2 . VAL A 1 13 ? 2.242 7.526 1.685 1.00 96.10 13 A 1 ATOM 105 N N . MET A 1 14 ? 5.691 5.100 -0.197 1.00 98.32 14 A 1 ATOM 106 C CA . MET A 1 14 ? 7.038 4.688 -0.606 1.00 98.21 14 A 1 ATOM 107 C C . MET A 1 14 ? 7.193 4.710 -2.128 1.00 98.30 14 A 1 ATOM 108 O O . MET A 1 14 ? 8.219 5.157 -2.634 1.00 97.70 14 A 1 ATOM 109 C CB . MET A 1 14 ? 7.346 3.290 -0.073 1.00 97.82 14 A 1 ATOM 110 C CG . MET A 1 14 ? 7.622 3.302 1.426 1.00 94.53 14 A 1 ATOM 111 S SD . MET A 1 14 ? 8.094 1.673 2.048 1.00 86.79 14 A 1 ATOM 112 C CE . MET A 1 14 ? 8.563 2.114 3.723 1.00 77.33 14 A 1 ATOM 113 N N . ASN A 1 15 ? 6.171 4.288 -2.855 1.00 98.33 15 A 1 ATOM 114 C CA . ASN A 1 15 ? 6.192 4.325 -4.312 1.00 98.29 15 A 1 ATOM 115 C C . ASN A 1 15 ? 6.239 5.763 -4.836 1.00 98.40 15 A 1 ATOM 116 O O . ASN A 1 15 ? 6.989 6.057 -5.764 1.00 97.91 15 A 1 ATOM 117 C CB . ASN A 1 15 ? 4.970 3.564 -4.831 1.00 97.91 15 A 1 ATOM 118 C CG . ASN A 1 15 ? 5.102 3.224 -6.295 1.00 95.35 15 A 1 ATOM 119 O OD1 . ASN A 1 15 ? 6.174 3.202 -6.869 1.00 87.39 15 A 1 ATOM 120 N ND2 . ASN A 1 15 ? 4.006 2.907 -6.938 1.00 87.97 15 A 1 ATOM 121 N N . VAL A 1 16 ? 5.486 6.662 -4.221 1.00 98.50 16 A 1 ATOM 122 C CA . VAL A 1 16 ? 5.499 8.085 -4.586 1.00 98.37 16 A 1 ATOM 123 C C . VAL A 1 16 ? 6.869 8.714 -4.333 1.00 98.43 16 A 1 ATOM 124 O O . VAL A 1 16 ? 7.317 9.545 -5.119 1.00 97.76 16 A 1 ATOM 125 C CB . VAL A 1 16 ? 4.397 8.846 -3.830 1.00 97.82 16 A 1 ATOM 126 C CG1 . VAL A 1 16 ? 4.472 10.350 -4.072 1.00 94.84 16 A 1 ATOM 127 C CG2 . VAL A 1 16 ? 3.021 8.365 -4.272 1.00 95.51 16 A 1 ATOM 128 N N . ILE A 1 17 ? 7.554 8.307 -3.275 1.00 98.46 17 A 1 ATOM 129 C CA . ILE A 1 17 ? 8.904 8.807 -2.983 1.00 98.31 17 A 1 ATOM 130 C C . ILE A 1 17 ? 9.907 8.337 -4.048 1.00 98.31 17 A 1 ATOM 131 O O . ILE A 1 17 ? 10.860 9.050 -4.355 1.00 97.76 17 A 1 ATOM 132 C CB . ILE A 1 17 ? 9.332 8.380 -1.566 1.00 97.87 17 A 1 ATOM 133 C CG1 . ILE A 1 17 ? 8.452 9.068 -0.506 1.00 96.16 17 A 1 ATOM 134 C CG2 . ILE A 1 17 ? 10.804 8.722 -1.300 1.00 95.66 17 A 1 ATOM 135 C CD1 . ILE A 1 17 ? 8.537 8.413 0.868 1.00 93.58 17 A 1 ATOM 136 N N . MET A 1 18 ? 9.698 7.151 -4.615 1.00 98.02 18 A 1 ATOM 137 C CA . MET A 1 18 ? 10.577 6.617 -5.660 1.00 97.70 18 A 1 ATOM 138 C C . MET A 1 18 ? 10.367 7.292 -7.020 1.00 97.56 18 A 1 ATOM 139 O O . MET A 1 18 ? 11.268 7.251 -7.853 1.00 96.11 18 A 1 ATOM 140 C CB . MET A 1 18 ? 10.370 5.104 -5.790 1.00 96.79 18 A 1 ATOM 141 C CG . MET A 1 18 ? 10.944 4.343 -4.600 1.00 93.21 18 A 1 ATOM 142 S SD . MET A 1 18 ? 10.775 2.554 -4.787 1.00 86.11 18 A 1 ATOM 143 C CE . MET A 1 18 ? 11.626 2.017 -3.309 1.00 76.48 18 A 1 ATOM 144 N N . THR A 1 19 ? 9.220 7.894 -7.231 1.00 96.49 19 A 1 ATOM 145 C CA . THR A 1 19 ? 8.909 8.599 -8.484 1.00 95.64 19 A 1 ATOM 146 C C . THR A 1 19 ? 9.353 10.052 -8.439 1.00 93.41 19 A 1 ATOM 147 O O . THR A 1 19 ? 9.852 10.547 -9.463 1.00 88.60 19 A 1 ATOM 148 C CB . THR A 1 19 ? 7.409 8.539 -8.798 1.00 93.29 19 A 1 ATOM 149 O OG1 . THR A 1 19 ? 6.647 9.019 -7.695 1.00 83.53 19 A 1 ATOM 150 C CG2 . THR A 1 19 ? 6.958 7.122 -9.110 1.00 86.11 19 A 1 ATOM 151 O OXT . THR A 1 19 ? 9.153 10.685 -7.411 1.00 84.07 19 A 1 #