# 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_spkb34584 # _entry.id spkb34584 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "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 ARG 2 1 n ALA 3 1 n ILE 4 1 n ARG 5 1 n MET 6 1 n LEU 7 1 n LEU 8 1 n VAL 9 1 n SER 10 1 n ALA 11 1 n LEU 12 1 n THR 13 1 n LEU 14 1 n GLY 15 1 n SER 16 1 n VAL 17 1 n THR 18 1 n ALA 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 @ 2025-07-03 21:02:58)" _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 92.58 _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 85.92 1 1 A ARG 2 2 78.33 1 2 A ALA 3 2 95.58 1 3 A ILE 4 2 93.95 1 4 A ARG 5 2 88.19 1 5 A MET 6 2 92.77 1 6 A LEU 7 2 94.22 1 7 A LEU 8 2 94.00 1 8 A VAL 9 2 96.28 1 9 A SER 10 2 95.49 1 10 A ALA 11 2 97.66 1 11 A LEU 12 2 96.10 1 12 A THR 13 2 95.94 1 13 A LEU 14 2 95.08 1 14 A GLY 15 2 97.68 1 15 A SER 16 2 96.03 1 16 A VAL 17 2 96.84 1 17 A THR 18 2 95.26 1 18 A ALA 19 2 96.83 1 19 A TYR 20 2 91.03 1 20 A ALA 21 2 88.29 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 ALA . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n MET . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n ALA . 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 ? -15.917 6.839 3.800 1.00 91.71 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.497 6.451 3.751 1.00 92.65 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.250 5.185 4.572 1.00 93.71 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.090 5.244 5.786 1.00 90.94 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.627 7.586 4.274 1.00 87.71 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.068 8.107 5.637 1.00 83.42 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.115 9.547 6.157 1.00 78.92 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.004 10.833 5.313 1.00 68.28 1 A 1 ATOM 9 N N . ARG A 1 2 ? -14.242 4.054 3.907 1.00 86.49 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -14.026 2.766 4.567 1.00 90.62 2 A 1 ATOM 11 C C . ARG A 1 2 ? -12.958 1.941 3.856 1.00 93.73 2 A 1 ATOM 12 O O . ARG A 1 2 ? -12.185 1.235 4.496 1.00 91.37 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -15.341 1.991 4.638 1.00 85.64 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -16.178 2.097 3.380 1.00 77.63 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -15.716 1.135 2.293 1.00 76.69 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -16.460 -0.127 2.328 1.00 69.61 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -16.489 -1.000 1.327 1.00 67.85 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -15.818 -0.761 0.218 1.00 61.47 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -17.194 -2.110 1.434 1.00 60.52 2 A 1 ATOM 20 N N . ALA A 1 3 ? -12.918 2.049 2.545 1.00 93.59 3 A 1 ATOM 21 C CA . ALA A 1 3 ? -11.943 1.299 1.750 1.00 96.22 3 A 1 ATOM 22 C C . ALA A 1 3 ? -10.673 2.111 1.504 1.00 97.11 3 A 1 ATOM 23 O O . ALA A 1 3 ? -9.727 1.632 0.887 1.00 96.00 3 A 1 ATOM 24 C CB . ALA A 1 3 ? -12.571 0.882 0.425 1.00 95.00 3 A 1 ATOM 25 N N . ILE A 1 4 ? -10.668 3.332 1.981 1.00 97.19 4 A 1 ATOM 26 C CA . ILE A 1 4 ? -9.517 4.217 1.802 1.00 96.69 4 A 1 ATOM 27 C C . ILE A 1 4 ? -8.325 3.722 2.612 1.00 96.92 4 A 1 ATOM 28 O O . ILE A 1 4 ? -7.173 3.829 2.184 1.00 95.73 4 A 1 ATOM 29 C CB . ILE A 1 4 ? -9.876 5.655 2.210 1.00 96.26 4 A 1 ATOM 30 C CG1 . ILE A 1 4 ? -11.007 6.192 1.330 1.00 92.03 4 A 1 ATOM 31 C CG2 . ILE A 1 4 ? -8.654 6.564 2.081 1.00 91.17 4 A 1 ATOM 32 C CD1 . ILE A 1 4 ? -11.698 7.387 1.942 1.00 85.64 4 A 1 ATOM 33 N N . ARG A 1 5 ? -8.615 3.185 3.783 1.00 97.10 5 A 1 ATOM 34 C CA . ARG A 1 5 ? -7.560 2.675 4.661 1.00 97.13 5 A 1 ATOM 35 C C . ARG A 1 5 ? -6.833 1.507 4.007 1.00 97.49 5 A 1 ATOM 36 O O . ARG A 1 5 ? -5.620 1.361 4.146 1.00 96.97 5 A 1 ATOM 37 C CB . ARG A 1 5 ? -8.158 2.236 5.998 1.00 96.49 5 A 1 ATOM 38 C CG . ARG A 1 5 ? -8.659 3.409 6.816 1.00 90.71 5 A 1 ATOM 39 C CD . ARG A 1 5 ? -7.514 4.273 7.287 1.00 88.69 5 A 1 ATOM 40 N NE . ARG A 1 5 ? -6.803 3.663 8.415 1.00 82.49 5 A 1 ATOM 41 C CZ . ARG A 1 5 ? -7.103 3.885 9.680 1.00 80.26 5 A 1 ATOM 42 N NH1 . ARG A 1 5 ? -8.088 4.700 9.996 1.00 71.74 5 A 1 ATOM 43 N NH2 . ARG A 1 5 ? -6.415 3.296 10.643 1.00 71.03 5 A 1 ATOM 44 N N . MET A 1 6 ? -7.587 0.688 3.302 1.00 97.41 6 A 1 ATOM 45 C CA . MET A 1 6 ? -7.009 -0.469 2.612 1.00 97.37 6 A 1 ATOM 46 C C . MET A 1 6 ? -6.007 -0.021 1.550 1.00 97.64 6 A 1 ATOM 47 O O . MET A 1 6 ? -4.958 -0.639 1.375 1.00 96.81 6 A 1 ATOM 48 C CB . MET A 1 6 ? -8.120 -1.290 1.969 1.00 97.02 6 A 1 ATOM 49 C CG . MET A 1 6 ? -8.961 -2.019 2.999 1.00 92.95 6 A 1 ATOM 50 S SD . MET A 1 6 ? -8.172 -3.511 3.603 1.00 86.05 6 A 1 ATOM 51 C CE . MET A 1 6 ? -8.760 -4.691 2.389 1.00 76.87 6 A 1 ATOM 52 N N . LEU A 1 7 ? -6.351 1.053 0.866 1.00 97.04 7 A 1 ATOM 53 C CA . LEU A 1 7 ? -5.473 1.595 -0.165 1.00 96.93 7 A 1 ATOM 54 C C . LEU A 1 7 ? -4.216 2.195 0.452 1.00 97.54 7 A 1 ATOM 55 O O . LEU A 1 7 ? -3.108 1.981 -0.034 1.00 97.22 7 A 1 ATOM 56 C CB . LEU A 1 7 ? -6.212 2.658 -0.977 1.00 96.83 7 A 1 ATOM 57 C CG . LEU A 1 7 ? -6.602 2.196 -2.375 1.00 91.77 7 A 1 ATOM 58 C CD1 . LEU A 1 7 ? -8.013 1.628 -2.383 1.00 88.11 7 A 1 ATOM 59 C CD2 . LEU A 1 7 ? -6.497 3.344 -3.362 1.00 88.33 7 A 1 ATOM 60 N N . LEU A 1 8 ? -4.411 2.937 1.528 1.00 96.55 8 A 1 ATOM 61 C CA . LEU A 1 8 ? -3.293 3.575 2.218 1.00 96.80 8 A 1 ATOM 62 C C . LEU A 1 8 ? -2.336 2.536 2.784 1.00 97.47 8 A 1 ATOM 63 O O . LEU A 1 8 ? -1.119 2.651 2.638 1.00 97.42 8 A 1 ATOM 64 C CB . LEU A 1 8 ? -3.827 4.462 3.341 1.00 96.75 8 A 1 ATOM 65 C CG . LEU A 1 8 ? -4.533 5.724 2.856 1.00 90.93 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? -5.324 6.357 3.987 1.00 87.75 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? -3.514 6.718 2.312 1.00 88.32 8 A 1 ATOM 68 N N . VAL A 1 9 ? -2.897 1.531 3.419 1.00 97.28 9 A 1 ATOM 69 C CA . VAL A 1 9 ? -2.096 0.458 4.006 1.00 97.31 9 A 1 ATOM 70 C C . VAL A 1 9 ? -1.446 -0.382 2.913 1.00 97.66 9 A 1 ATOM 71 O O . VAL A 1 9 ? -0.282 -0.775 3.024 1.00 97.37 9 A 1 ATOM 72 C CB . VAL A 1 9 ? -2.964 -0.431 4.912 1.00 96.71 9 A 1 ATOM 73 C CG1 . VAL A 1 9 ? -2.158 -1.600 5.453 1.00 93.55 9 A 1 ATOM 74 C CG2 . VAL A 1 9 ? -3.528 0.386 6.061 1.00 94.06 9 A 1 ATOM 75 N N . SER A 1 10 ? -2.207 -0.648 1.872 1.00 97.52 10 A 1 ATOM 76 C CA . SER A 1 10 ? -1.709 -1.440 0.752 1.00 97.29 10 A 1 ATOM 77 C C . SER A 1 10 ? -0.565 -0.722 0.049 1.00 97.65 10 A 1 ATOM 78 O O . SER A 1 10 ? 0.447 -1.330 -0.295 1.00 97.21 10 A 1 ATOM 79 C CB . SER A 1 10 ? -2.836 -1.712 -0.242 1.00 96.45 10 A 1 ATOM 80 O OG . SER A 1 10 ? -2.406 -2.606 -1.235 1.00 86.82 10 A 1 ATOM 81 N N . ALA A 1 11 ? -0.737 0.570 -0.152 1.00 97.86 11 A 1 ATOM 82 C CA . ALA A 1 11 ? 0.283 1.379 -0.812 1.00 97.76 11 A 1 ATOM 83 C C . ALA A 1 11 ? 1.554 1.425 0.027 1.00 98.04 11 A 1 ATOM 84 O O . ALA A 1 11 ? 2.663 1.341 -0.504 1.00 97.34 11 A 1 ATOM 85 C CB . ALA A 1 11 ? -0.245 2.789 -1.042 1.00 97.32 11 A 1 ATOM 86 N N . LEU A 1 12 ? 1.379 1.549 1.329 1.00 98.11 12 A 1 ATOM 87 C CA . LEU A 1 12 ? 2.511 1.591 2.247 1.00 97.97 12 A 1 ATOM 88 C C . LEU A 1 12 ? 3.235 0.253 2.263 1.00 98.15 12 A 1 ATOM 89 O O . LEU A 1 12 ? 4.464 0.201 2.308 1.00 97.60 12 A 1 ATOM 90 C CB . LEU A 1 12 ? 2.022 1.934 3.653 1.00 97.78 12 A 1 ATOM 91 C CG . LEU A 1 12 ? 3.144 2.333 4.602 1.00 95.43 12 A 1 ATOM 92 C CD1 . LEU A 1 12 ? 3.550 3.778 4.364 1.00 91.69 12 A 1 ATOM 93 C CD2 . LEU A 1 12 ? 2.709 2.142 6.043 1.00 92.06 12 A 1 ATOM 94 N N . THR A 1 13 ? 2.470 -0.818 2.230 1.00 97.81 13 A 1 ATOM 95 C CA . THR A 1 13 ? 3.027 -2.168 2.242 1.00 97.61 13 A 1 ATOM 96 C C . THR A 1 13 ? 3.842 -2.425 0.981 1.00 97.77 13 A 1 ATOM 97 O O . THR A 1 13 ? 4.937 -2.988 1.041 1.00 96.99 13 A 1 ATOM 98 C CB . THR A 1 13 ? 1.903 -3.204 2.344 1.00 96.96 13 A 1 ATOM 99 O OG1 . THR A 1 13 ? 1.110 -2.929 3.491 1.00 93.12 13 A 1 ATOM 100 C CG2 . THR A 1 13 ? 2.475 -4.604 2.471 1.00 91.29 13 A 1 ATOM 101 N N . LEU A 1 14 ? 3.310 -2.011 -0.148 1.00 97.94 14 A 1 ATOM 102 C CA . LEU A 1 14 ? 3.985 -2.196 -1.425 1.00 97.56 14 A 1 ATOM 103 C C . LEU A 1 14 ? 5.273 -1.385 -1.479 1.00 97.67 14 A 1 ATOM 104 O O . LEU A 1 14 ? 6.291 -1.856 -1.982 1.00 96.79 14 A 1 ATOM 105 C CB . LEU A 1 14 ? 3.055 -1.775 -2.561 1.00 96.84 14 A 1 ATOM 106 C CG . LEU A 1 14 ? 1.874 -2.723 -2.778 1.00 93.60 14 A 1 ATOM 107 C CD1 . LEU A 1 14 ? 0.815 -2.065 -3.640 1.00 90.39 14 A 1 ATOM 108 C CD2 . LEU A 1 14 ? 2.358 -4.014 -3.425 1.00 89.85 14 A 1 ATOM 109 N N . GLY A 1 15 ? 5.215 -0.178 -0.966 1.00 97.84 15 A 1 ATOM 110 C CA . GLY A 1 15 ? 6.389 0.686 -0.945 1.00 97.51 15 A 1 ATOM 111 C C . GLY A 1 15 ? 7.391 0.257 0.104 1.00 97.88 15 A 1 ATOM 112 O O . GLY A 1 15 ? 8.599 0.396 -0.082 1.00 97.47 15 A 1 ATOM 113 N N . SER A 1 16 ? 6.888 -0.279 1.205 1.00 97.91 16 A 1 ATOM 114 C CA . SER A 1 16 ? 7.731 -0.738 2.302 1.00 97.79 16 A 1 ATOM 115 C C . SER A 1 16 ? 8.544 -1.956 1.895 1.00 97.97 16 A 1 ATOM 116 O O . SER A 1 16 ? 9.720 -2.070 2.235 1.00 97.01 16 A 1 ATOM 117 C CB . SER A 1 16 ? 6.881 -1.078 3.519 1.00 96.87 16 A 1 ATOM 118 O OG . SER A 1 16 ? 7.697 -1.373 4.623 1.00 88.62 16 A 1 ATOM 119 N N . VAL A 1 17 ? 7.910 -2.863 1.164 1.00 97.97 17 A 1 ATOM 120 C CA . VAL A 1 17 ? 8.579 -4.084 0.719 1.00 97.91 17 A 1 ATOM 121 C C . VAL A 1 17 ? 9.772 -3.748 -0.166 1.00 98.15 17 A 1 ATOM 122 O O . VAL A 1 17 ? 10.767 -4.470 -0.188 1.00 97.63 17 A 1 ATOM 123 C CB . VAL A 1 17 ? 7.592 -4.998 -0.036 1.00 97.18 17 A 1 ATOM 124 C CG1 . VAL A 1 17 ? 7.267 -4.424 -1.406 1.00 94.43 17 A 1 ATOM 125 C CG2 . VAL A 1 17 ? 8.156 -6.391 -0.168 1.00 94.64 17 A 1 ATOM 126 N N . THR A 1 18 ? 9.673 -2.659 -0.892 1.00 97.57 18 A 1 ATOM 127 C CA . THR A 1 18 ? 10.750 -2.222 -1.781 1.00 97.38 18 A 1 ATOM 128 C C . THR A 1 18 ? 11.967 -1.799 -0.970 1.00 97.57 18 A 1 ATOM 129 O O . THR A 1 18 ? 13.101 -2.130 -1.315 1.00 97.07 18 A 1 ATOM 130 C CB . THR A 1 18 ? 10.286 -1.052 -2.652 1.00 96.56 18 A 1 ATOM 131 O OG1 . THR A 1 18 ? 9.130 -1.443 -3.389 1.00 91.25 18 A 1 ATOM 132 C CG2 . THR A 1 18 ? 11.372 -0.641 -3.626 1.00 89.42 18 A 1 ATOM 133 N N . ALA A 1 19 ? 11.724 -1.074 0.105 1.00 97.23 19 A 1 ATOM 134 C CA . ALA A 1 19 ? 12.798 -0.612 0.978 1.00 97.04 19 A 1 ATOM 135 C C . ALA A 1 19 ? 13.446 -1.785 1.703 1.00 97.23 19 A 1 ATOM 136 O O . ALA A 1 19 ? 14.641 -1.766 1.992 1.00 96.34 19 A 1 ATOM 137 C CB . ALA A 1 19 ? 12.255 0.389 1.985 1.00 96.29 19 A 1 ATOM 138 N N . TYR A 1 20 ? 12.627 -2.801 1.995 1.00 96.05 20 A 1 ATOM 139 C CA . TYR A 1 20 ? 13.114 -3.992 2.682 1.00 95.34 20 A 1 ATOM 140 C C . TYR A 1 20 ? 14.013 -4.815 1.767 1.00 96.04 20 A 1 ATOM 141 O O . TYR A 1 20 ? 14.976 -5.431 2.220 1.00 94.61 20 A 1 ATOM 142 C CB . TYR A 1 20 ? 11.927 -4.848 3.139 1.00 93.98 20 A 1 ATOM 143 C CG . TYR A 1 20 ? 12.354 -6.041 3.960 1.00 90.60 20 A 1 ATOM 144 C CD1 . TYR A 1 20 ? 12.741 -5.886 5.285 1.00 88.59 20 A 1 ATOM 145 C CD2 . TYR A 1 20 ? 12.373 -7.314 3.410 1.00 88.41 20 A 1 ATOM 146 C CE1 . TYR A 1 20 ? 13.134 -6.975 6.045 1.00 87.12 20 A 1 ATOM 147 C CE2 . TYR A 1 20 ? 12.771 -8.416 4.163 1.00 86.93 20 A 1 ATOM 148 C CZ . TYR A 1 20 ? 13.146 -8.235 5.480 1.00 87.58 20 A 1 ATOM 149 O OH . TYR A 1 20 ? 13.543 -9.322 6.227 1.00 87.17 20 A 1 ATOM 150 N N . ALA A 1 21 ? 13.687 -4.820 0.496 1.00 93.90 21 A 1 ATOM 151 C CA . ALA A 1 21 ? 14.454 -5.579 -0.489 1.00 91.57 21 A 1 ATOM 152 C C . ALA A 1 21 ? 15.751 -4.853 -0.815 1.00 88.82 21 A 1 ATOM 153 O O . ALA A 1 21 ? 16.781 -5.518 -0.981 1.00 85.39 21 A 1 ATOM 154 C CB . ALA A 1 21 ? 13.624 -5.786 -1.747 1.00 88.31 21 A 1 ATOM 155 O OXT . ALA A 1 21 ? 15.721 -3.627 -0.938 1.00 81.75 21 A 1 #