# 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_spkb34384 # _entry.id spkb34384 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)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" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[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" # _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 ILE 3 1 n PHE 4 1 n PHE 5 1 n PHE 6 1 n ILE 7 1 n PHE 8 1 n ALA 9 1 n ALA 10 1 n LEU 11 1 n PHE 12 1 n LEU 13 1 n LEU 14 1 n ALA 15 1 n GLN 16 1 n ILE 17 1 n PHE 18 1 n GLN 19 1 n ALA 20 1 n ARG 21 1 n THR 22 # _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 @ 2025-07-12 01:58:14)" _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 93.23 _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 87.75 1 1 A LYS 2 2 89.46 1 2 A ILE 3 2 95.12 1 3 A PHE 4 2 93.16 1 4 A PHE 5 2 93.01 1 5 A PHE 6 2 94.29 1 6 A ILE 7 2 96.07 1 7 A PHE 8 2 94.17 1 8 A ALA 9 2 97.71 1 9 A ALA 10 2 97.95 1 10 A LEU 11 2 95.03 1 11 A PHE 12 2 94.30 1 12 A LEU 13 2 94.76 1 13 A LEU 14 2 94.30 1 14 A ALA 15 2 98.02 1 15 A GLN 16 2 93.35 1 16 A ILE 17 2 96.54 1 17 A PHE 18 2 93.45 1 18 A GLN 19 2 91.64 1 19 A ALA 20 2 97.25 1 20 A ARG 21 2 86.46 1 21 A THR 22 2 86.18 1 22 # _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 ILE . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n GLN . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n GLN . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n ARG . 21 A 21 A 22 1 n THR . 22 A 22 # _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 ? -17.096 2.318 1.468 1.00 93.85 1 A 1 ATOM 2 C CA . MET A 1 1 ? -16.537 1.123 0.796 1.00 94.87 1 A 1 ATOM 3 C C . MET A 1 1 ? -15.199 0.760 1.439 1.00 95.47 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.207 1.440 1.215 1.00 93.54 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.336 1.400 -0.694 1.00 90.60 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.668 1.465 -1.431 1.00 82.66 1 A 1 ATOM 7 S SD . MET A 1 1 ? -17.426 1.711 -3.204 1.00 79.86 1 A 1 ATOM 8 C CE . MET A 1 1 ? -19.116 1.597 -3.774 1.00 71.15 1 A 1 ATOM 9 N N . LYS A 1 2 ? -15.186 -0.291 2.245 1.00 96.15 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -13.964 -0.717 2.942 1.00 96.24 2 A 1 ATOM 11 C C . LYS A 1 2 ? -13.003 -1.462 2.012 1.00 96.47 2 A 1 ATOM 12 O O . LYS A 1 2 ? -11.829 -1.619 2.338 1.00 95.68 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -14.346 -1.595 4.131 1.00 95.30 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -15.170 -0.850 5.174 1.00 89.28 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -15.473 -1.753 6.368 1.00 85.47 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -16.473 -1.117 7.315 1.00 79.51 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -15.853 -0.039 8.135 1.00 71.07 2 A 1 ATOM 18 N N . ILE A 1 3 ? -13.492 -1.911 0.856 1.00 96.93 3 A 1 ATOM 19 C CA . ILE A 1 3 ? -12.672 -2.647 -0.115 1.00 97.15 3 A 1 ATOM 20 C C . ILE A 1 3 ? -11.556 -1.754 -0.657 1.00 97.43 3 A 1 ATOM 21 O O . ILE A 1 3 ? -10.421 -2.203 -0.822 1.00 96.89 3 A 1 ATOM 22 C CB . ILE A 1 3 ? -13.560 -3.181 -1.257 1.00 96.91 3 A 1 ATOM 23 C CG1 . ILE A 1 3 ? -14.616 -4.154 -0.706 1.00 94.32 3 A 1 ATOM 24 C CG2 . ILE A 1 3 ? -12.696 -3.890 -2.311 1.00 92.95 3 A 1 ATOM 25 C CD1 . ILE A 1 3 ? -15.732 -4.440 -1.711 1.00 88.42 3 A 1 ATOM 26 N N . PHE A 1 4 ? -11.861 -0.483 -0.900 1.00 96.88 4 A 1 ATOM 27 C CA . PHE A 1 4 ? -10.860 0.470 -1.376 1.00 96.89 4 A 1 ATOM 28 C C . PHE A 1 4 ? -9.741 0.628 -0.357 1.00 97.37 4 A 1 ATOM 29 O O . PHE A 1 4 ? -8.573 0.733 -0.726 1.00 96.94 4 A 1 ATOM 30 C CB . PHE A 1 4 ? -11.522 1.823 -1.652 1.00 96.33 4 A 1 ATOM 31 C CG . PHE A 1 4 ? -12.048 1.926 -3.059 1.00 93.28 4 A 1 ATOM 32 C CD1 . PHE A 1 4 ? -13.228 1.290 -3.428 1.00 89.54 4 A 1 ATOM 33 C CD2 . PHE A 1 4 ? -11.339 2.660 -4.010 1.00 89.97 4 A 1 ATOM 34 C CE1 . PHE A 1 4 ? -13.700 1.380 -4.738 1.00 88.83 4 A 1 ATOM 35 C CE2 . PHE A 1 4 ? -11.810 2.759 -5.318 1.00 89.42 4 A 1 ATOM 36 C CZ . PHE A 1 4 ? -12.991 2.117 -5.682 1.00 89.36 4 A 1 ATOM 37 N N . PHE A 1 5 ? -10.086 0.617 0.921 1.00 96.48 5 A 1 ATOM 38 C CA . PHE A 1 5 ? -9.097 0.719 1.988 1.00 96.67 5 A 1 ATOM 39 C C . PHE A 1 5 ? -8.165 -0.497 1.983 1.00 97.22 5 A 1 ATOM 40 O O . PHE A 1 5 ? -6.960 -0.359 2.184 1.00 96.80 5 A 1 ATOM 41 C CB . PHE A 1 5 ? -9.824 0.846 3.324 1.00 96.25 5 A 1 ATOM 42 C CG . PHE A 1 5 ? -8.909 1.362 4.402 1.00 93.37 5 A 1 ATOM 43 C CD1 . PHE A 1 5 ? -8.189 0.480 5.202 1.00 89.57 5 A 1 ATOM 44 C CD2 . PHE A 1 5 ? -8.764 2.737 4.591 1.00 90.31 5 A 1 ATOM 45 C CE1 . PHE A 1 5 ? -7.330 0.962 6.188 1.00 88.67 5 A 1 ATOM 46 C CE2 . PHE A 1 5 ? -7.908 3.226 5.575 1.00 88.99 5 A 1 ATOM 47 C CZ . PHE A 1 5 ? -7.188 2.336 6.374 1.00 88.79 5 A 1 ATOM 48 N N . PHE A 1 6 ? -8.717 -1.682 1.721 1.00 97.08 6 A 1 ATOM 49 C CA . PHE A 1 6 ? -7.919 -2.905 1.657 1.00 97.28 6 A 1 ATOM 50 C C . PHE A 1 6 ? -6.956 -2.873 0.471 1.00 97.70 6 A 1 ATOM 51 O O . PHE A 1 6 ? -5.784 -3.217 0.608 1.00 97.34 6 A 1 ATOM 52 C CB . PHE A 1 6 ? -8.851 -4.117 1.556 1.00 97.09 6 A 1 ATOM 53 C CG . PHE A 1 6 ? -8.620 -5.097 2.680 1.00 94.79 6 A 1 ATOM 54 C CD1 . PHE A 1 6 ? -7.624 -6.064 2.575 1.00 91.38 6 A 1 ATOM 55 C CD2 . PHE A 1 6 ? -9.396 -5.032 3.836 1.00 91.91 6 A 1 ATOM 56 C CE1 . PHE A 1 6 ? -7.401 -6.969 3.614 1.00 90.71 6 A 1 ATOM 57 C CE2 . PHE A 1 6 ? -9.180 -5.931 4.880 1.00 90.96 6 A 1 ATOM 58 C CZ . PHE A 1 6 ? -8.182 -6.903 4.769 1.00 90.91 6 A 1 ATOM 59 N N . ILE A 1 7 ? -7.449 -2.438 -0.686 1.00 97.50 7 A 1 ATOM 60 C CA . ILE A 1 7 ? -6.617 -2.336 -1.887 1.00 97.69 7 A 1 ATOM 61 C C . ILE A 1 7 ? -5.519 -1.298 -1.670 1.00 97.89 7 A 1 ATOM 62 O O . ILE A 1 7 ? -4.355 -1.536 -2.002 1.00 97.73 7 A 1 ATOM 63 C CB . ILE A 1 7 ? -7.489 -1.982 -3.110 1.00 97.66 7 A 1 ATOM 64 C CG1 . ILE A 1 7 ? -8.477 -3.125 -3.411 1.00 95.78 7 A 1 ATOM 65 C CG2 . ILE A 1 7 ? -6.607 -1.730 -4.339 1.00 94.92 7 A 1 ATOM 66 C CD1 . ILE A 1 7 ? -9.609 -2.694 -4.328 1.00 89.40 7 A 1 ATOM 67 N N . PHE A 1 8 ? -5.875 -0.170 -1.093 1.00 97.38 8 A 1 ATOM 68 C CA . PHE A 1 8 ? -4.918 0.898 -0.832 1.00 97.28 8 A 1 ATOM 69 C C . PHE A 1 8 ? -3.869 0.448 0.184 1.00 97.72 8 A 1 ATOM 70 O O . PHE A 1 8 ? -2.681 0.717 0.009 1.00 97.42 8 A 1 ATOM 71 C CB . PHE A 1 8 ? -5.672 2.132 -0.337 1.00 96.78 8 A 1 ATOM 72 C CG . PHE A 1 8 ? -4.987 3.411 -0.739 1.00 94.41 8 A 1 ATOM 73 C CD1 . PHE A 1 8 ? -5.153 3.925 -2.026 1.00 91.53 8 A 1 ATOM 74 C CD2 . PHE A 1 8 ? -4.180 4.090 0.166 1.00 91.87 8 A 1 ATOM 75 C CE1 . PHE A 1 8 ? -4.517 5.107 -2.404 1.00 90.35 8 A 1 ATOM 76 C CE2 . PHE A 1 8 ? -3.538 5.274 -0.206 1.00 90.63 8 A 1 ATOM 77 C CZ . PHE A 1 8 ? -3.707 5.781 -1.493 1.00 90.54 8 A 1 ATOM 78 N N . ALA A 1 9 ? -4.295 -0.257 1.229 1.00 97.73 9 A 1 ATOM 79 C CA . ALA A 1 9 ? -3.371 -0.766 2.241 1.00 97.79 9 A 1 ATOM 80 C C . ALA A 1 9 ? -2.401 -1.787 1.637 1.00 98.07 9 A 1 ATOM 81 O O . ALA A 1 9 ? -1.204 -1.756 1.929 1.00 97.56 9 A 1 ATOM 82 C CB . ALA A 1 9 ? -4.172 -1.391 3.383 1.00 97.38 9 A 1 ATOM 83 N N . ALA A 1 10 ? -2.901 -2.668 0.782 1.00 98.01 10 A 1 ATOM 84 C CA . ALA A 1 10 ? -2.058 -3.661 0.120 1.00 98.06 10 A 1 ATOM 85 C C . ALA A 1 10 ? -1.048 -2.985 -0.810 1.00 98.24 10 A 1 ATOM 86 O O . ALA A 1 10 ? 0.127 -3.354 -0.825 1.00 97.69 10 A 1 ATOM 87 C CB . ALA A 1 10 ? -2.950 -4.636 -0.651 1.00 97.75 10 A 1 ATOM 88 N N . LEU A 1 11 ? -1.489 -1.990 -1.565 1.00 97.81 11 A 1 ATOM 89 C CA . LEU A 1 11 ? -0.616 -1.248 -2.474 1.00 97.74 11 A 1 ATOM 90 C C . LEU A 1 11 ? 0.427 -0.455 -1.693 1.00 97.91 11 A 1 ATOM 91 O O . LEU A 1 11 ? 1.590 -0.389 -2.094 1.00 97.55 11 A 1 ATOM 92 C CB . LEU A 1 11 ? -1.473 -0.323 -3.345 1.00 97.44 11 A 1 ATOM 93 C CG . LEU A 1 11 ? -1.071 -0.376 -4.817 1.00 92.56 11 A 1 ATOM 94 C CD1 . LEU A 1 11 ? -2.286 -0.656 -5.690 1.00 89.32 11 A 1 ATOM 95 C CD2 . LEU A 1 11 ? -0.432 0.934 -5.249 1.00 89.88 11 A 1 ATOM 96 N N . PHE A 1 12 ? 0.028 0.119 -0.581 1.00 97.79 12 A 1 ATOM 97 C CA . PHE A 1 12 ? 0.932 0.883 0.273 1.00 97.58 12 A 1 ATOM 98 C C . PHE A 1 12 ? 2.024 -0.018 0.847 1.00 97.83 12 A 1 ATOM 99 O O . PHE A 1 12 ? 3.199 0.352 0.861 1.00 97.44 12 A 1 ATOM 100 C CB . PHE A 1 12 ? 0.121 1.542 1.386 1.00 97.19 12 A 1 ATOM 101 C CG . PHE A 1 12 ? 0.955 2.486 2.213 1.00 94.65 12 A 1 ATOM 102 C CD1 . PHE A 1 12 ? 1.302 3.741 1.714 1.00 91.45 12 A 1 ATOM 103 C CD2 . PHE A 1 12 ? 1.391 2.111 3.482 1.00 91.94 12 A 1 ATOM 104 C CE1 . PHE A 1 12 ? 2.081 4.613 2.472 1.00 90.10 12 A 1 ATOM 105 C CE2 . PHE A 1 12 ? 2.174 2.981 4.246 1.00 90.47 12 A 1 ATOM 106 C CZ . PHE A 1 12 ? 2.520 4.232 3.738 1.00 90.87 12 A 1 ATOM 107 N N . LEU A 1 13 ? 1.650 -1.206 1.295 1.00 97.84 13 A 1 ATOM 108 C CA . LEU A 1 13 ? 2.620 -2.175 1.809 1.00 97.60 13 A 1 ATOM 109 C C . LEU A 1 13 ? 3.579 -2.610 0.707 1.00 97.90 13 A 1 ATOM 110 O O . LEU A 1 13 ? 4.788 -2.694 0.931 1.00 97.69 13 A 1 ATOM 111 C CB . LEU A 1 13 ? 1.872 -3.385 2.379 1.00 97.42 13 A 1 ATOM 112 C CG . LEU A 1 13 ? 1.651 -3.272 3.889 1.00 92.06 13 A 1 ATOM 113 C CD1 . LEU A 1 13 ? 0.421 -4.057 4.310 1.00 87.96 13 A 1 ATOM 114 C CD2 . LEU A 1 13 ? 2.872 -3.806 4.634 1.00 89.58 13 A 1 ATOM 115 N N . LEU A 1 14 ? 3.058 -2.861 -0.483 1.00 97.64 14 A 1 ATOM 116 C CA . LEU A 1 14 ? 3.883 -3.244 -1.624 1.00 97.38 14 A 1 ATOM 117 C C . LEU A 1 14 ? 4.864 -2.128 -1.976 1.00 97.56 14 A 1 ATOM 118 O O . LEU A 1 14 ? 6.037 -2.393 -2.239 1.00 97.30 14 A 1 ATOM 119 C CB . LEU A 1 14 ? 2.982 -3.559 -2.820 1.00 97.03 14 A 1 ATOM 120 C CG . LEU A 1 14 ? 3.552 -4.672 -3.702 1.00 92.19 14 A 1 ATOM 121 C CD1 . LEU A 1 14 ? 3.081 -6.035 -3.189 1.00 87.08 14 A 1 ATOM 122 C CD2 . LEU A 1 14 ? 3.111 -4.488 -5.141 1.00 88.18 14 A 1 ATOM 123 N N . ALA A 1 15 ? 4.393 -0.900 -1.958 1.00 98.31 15 A 1 ATOM 124 C CA . ALA A 1 15 ? 5.235 0.257 -2.247 1.00 98.18 15 A 1 ATOM 125 C C . ALA A 1 15 ? 6.339 0.407 -1.199 1.00 98.21 15 A 1 ATOM 126 O O . ALA A 1 15 ? 7.482 0.701 -1.544 1.00 97.58 15 A 1 ATOM 127 C CB . ALA A 1 15 ? 4.361 1.507 -2.311 1.00 97.84 15 A 1 ATOM 128 N N . GLN A 1 16 ? 6.025 0.170 0.061 1.00 98.16 16 A 1 ATOM 129 C CA . GLN A 1 16 ? 7.019 0.235 1.133 1.00 98.00 16 A 1 ATOM 130 C C . GLN A 1 16 ? 8.094 -0.833 0.947 1.00 98.09 16 A 1 ATOM 131 O O . GLN A 1 16 ? 9.285 -0.548 1.076 1.00 97.21 16 A 1 ATOM 132 C CB . GLN A 1 16 ? 6.346 0.057 2.495 1.00 97.65 16 A 1 ATOM 133 C CG . GLN A 1 16 ? 5.944 1.398 3.107 1.00 94.31 16 A 1 ATOM 134 C CD . GLN A 1 16 ? 5.684 1.282 4.600 1.00 89.57 16 A 1 ATOM 135 O OE1 . GLN A 1 16 ? 5.534 0.197 5.145 1.00 84.67 16 A 1 ATOM 136 N NE2 . GLN A 1 16 ? 5.626 2.395 5.305 1.00 82.52 16 A 1 ATOM 137 N N . ILE A 1 17 ? 7.691 -2.046 0.618 1.00 98.29 17 A 1 ATOM 138 C CA . ILE A 1 17 ? 8.641 -3.136 0.391 1.00 98.09 17 A 1 ATOM 139 C C . ILE A 1 17 ? 9.521 -2.809 -0.815 1.00 98.00 17 A 1 ATOM 140 O O . ILE A 1 17 ? 10.735 -3.031 -0.785 1.00 97.47 17 A 1 ATOM 141 C CB . ILE A 1 17 ? 7.888 -4.461 0.185 1.00 97.91 17 A 1 ATOM 142 C CG1 . ILE A 1 17 ? 7.154 -4.867 1.477 1.00 96.21 17 A 1 ATOM 143 C CG2 . ILE A 1 17 ? 8.865 -5.572 -0.223 1.00 95.32 17 A 1 ATOM 144 C CD1 . ILE A 1 17 ? 6.048 -5.880 1.232 1.00 91.00 17 A 1 ATOM 145 N N . PHE A 1 18 ? 8.925 -2.277 -1.871 1.00 97.83 18 A 1 ATOM 146 C CA . PHE A 1 18 ? 9.662 -1.898 -3.066 1.00 97.36 18 A 1 ATOM 147 C C . PHE A 1 18 ? 10.651 -0.775 -2.766 1.00 97.36 18 A 1 ATOM 148 O O . PHE A 1 18 ? 11.805 -0.835 -3.195 1.00 96.74 18 A 1 ATOM 149 C CB . PHE A 1 18 ? 8.670 -1.476 -4.147 1.00 97.03 18 A 1 ATOM 150 C CG . PHE A 1 18 ? 9.338 -1.295 -5.486 1.00 94.24 18 A 1 ATOM 151 C CD1 . PHE A 1 18 ? 9.716 -2.401 -6.239 1.00 88.96 18 A 1 ATOM 152 C CD2 . PHE A 1 18 ? 9.601 -0.017 -5.968 1.00 90.10 18 A 1 ATOM 153 C CE1 . PHE A 1 18 ? 10.346 -2.238 -7.469 1.00 88.96 18 A 1 ATOM 154 C CE2 . PHE A 1 18 ? 10.235 0.156 -7.200 1.00 89.80 18 A 1 ATOM 155 C CZ . PHE A 1 18 ? 10.608 -0.957 -7.948 1.00 89.58 18 A 1 ATOM 156 N N . GLN A 1 19 ? 10.235 0.212 -2.005 1.00 97.72 19 A 1 ATOM 157 C CA . GLN A 1 19 ? 11.106 1.327 -1.637 1.00 97.44 19 A 1 ATOM 158 C C . GLN A 1 19 ? 12.217 0.868 -0.692 1.00 97.24 19 A 1 ATOM 159 O O . GLN A 1 19 ? 13.340 1.365 -0.763 1.00 95.75 19 A 1 ATOM 160 C CB . GLN A 1 19 ? 10.276 2.444 -1.007 1.00 96.68 19 A 1 ATOM 161 C CG . GLN A 1 19 ? 10.650 3.795 -1.596 1.00 90.55 19 A 1 ATOM 162 C CD . GLN A 1 19 ? 9.717 4.910 -1.159 1.00 86.47 19 A 1 ATOM 163 O OE1 . GLN A 1 19 ? 8.541 4.711 -0.907 1.00 82.76 19 A 1 ATOM 164 N NE2 . GLN A 1 19 ? 10.225 6.120 -1.062 1.00 80.15 19 A 1 ATOM 165 N N . ALA A 1 20 ? 11.928 -0.094 0.169 1.00 97.86 20 A 1 ATOM 166 C CA . ALA A 1 20 ? 12.929 -0.649 1.080 1.00 97.65 20 A 1 ATOM 167 C C . ALA A 1 20 ? 13.989 -1.446 0.314 1.00 97.43 20 A 1 ATOM 168 O O . ALA A 1 20 ? 15.132 -1.552 0.758 1.00 96.09 20 A 1 ATOM 169 C CB . ALA A 1 20 ? 12.236 -1.525 2.120 1.00 97.24 20 A 1 ATOM 170 N N . ARG A 1 21 ? 13.618 -2.003 -0.832 1.00 96.93 21 A 1 ATOM 171 C CA . ARG A 1 21 ? 14.551 -2.753 -1.679 1.00 95.69 21 A 1 ATOM 172 C C . ARG A 1 21 ? 15.413 -1.835 -2.539 1.00 94.63 21 A 1 ATOM 173 O O . ARG A 1 21 ? 16.465 -2.260 -3.008 1.00 90.54 21 A 1 ATOM 174 C CB . ARG A 1 21 ? 13.760 -3.707 -2.577 1.00 94.47 21 A 1 ATOM 175 C CG . ARG A 1 21 ? 13.452 -5.017 -1.874 1.00 89.09 21 A 1 ATOM 176 C CD . ARG A 1 21 ? 12.640 -5.909 -2.804 1.00 85.69 21 A 1 ATOM 177 N NE . ARG A 1 21 ? 12.733 -7.314 -2.403 1.00 81.19 21 A 1 ATOM 178 C CZ . ARG A 1 21 ? 11.839 -8.242 -2.711 1.00 77.15 21 A 1 ATOM 179 N NH1 . ARG A 1 21 ? 10.748 -7.944 -3.378 1.00 74.64 21 A 1 ATOM 180 N NH2 . ARG A 1 21 ? 12.035 -9.490 -2.347 1.00 70.99 21 A 1 ATOM 181 N N . THR A 1 22 ? 14.963 -0.619 -2.735 1.00 93.72 22 A 1 ATOM 182 C CA . THR A 1 22 ? 15.689 0.352 -3.559 1.00 92.17 22 A 1 ATOM 183 C C . THR A 1 22 ? 16.613 1.194 -2.686 1.00 88.91 22 A 1 ATOM 184 O O . THR A 1 22 ? 17.772 1.398 -3.091 1.00 83.73 22 A 1 ATOM 185 C CB . THR A 1 22 ? 14.704 1.247 -4.323 1.00 87.66 22 A 1 ATOM 186 O OG1 . THR A 1 22 ? 13.777 0.437 -5.022 1.00 80.13 22 A 1 ATOM 187 C CG2 . THR A 1 22 ? 15.422 2.127 -5.321 1.00 82.41 22 A 1 ATOM 188 O OXT . THR A 1 22 ? 16.164 1.656 -1.632 1.00 80.73 22 A 1 #