# 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_spkb33417 # _entry.id spkb33417 # 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" "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" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 TYR 3 1 n ALA 4 1 n LEU 5 1 n ILE 6 1 n LEU 7 1 n VAL 8 1 n LEU 9 1 n PHE 10 1 n PHE 11 1 n VAL 12 1 n VAL 13 1 n PHE 14 1 n ILE 15 1 n TRP 16 1 n GLN 17 1 n SER 18 1 n SER 19 1 n SER 20 # _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 17:47:57)" _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 93.61 _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 88.69 1 1 A LYS 2 2 88.45 1 2 A TYR 3 2 93.41 1 3 A ALA 4 2 98.06 1 4 A LEU 5 2 94.48 1 5 A ILE 6 2 96.81 1 6 A LEU 7 2 94.52 1 7 A VAL 8 2 98.10 1 8 A LEU 9 2 94.71 1 9 A PHE 10 2 93.80 1 10 A PHE 11 2 94.26 1 11 A VAL 12 2 97.96 1 12 A VAL 13 2 98.06 1 13 A PHE 14 2 95.84 1 14 A ILE 15 2 97.28 1 15 A TRP 16 2 92.04 1 16 A GLN 17 2 89.88 1 17 A SER 18 2 93.25 1 18 A SER 19 2 91.27 1 19 A SER 20 2 84.02 1 20 # _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 TYR . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n TRP . 16 A 16 A 17 1 n GLN . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n SER . 20 A 20 # _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 ? -5.675 7.522 -14.558 1.00 94.88 1 A 1 ATOM 2 C CA . MET A 1 1 ? -4.491 6.947 -13.888 1.00 95.68 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.876 5.726 -13.050 1.00 95.84 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.756 5.808 -12.201 1.00 93.48 1 A 1 ATOM 5 C CB . MET A 1 1 ? -3.827 7.993 -12.993 1.00 92.69 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.812 8.739 -12.093 1.00 85.98 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.036 10.126 -11.261 1.00 80.56 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.466 10.939 -10.566 1.00 70.43 1 A 1 ATOM 9 N N . LYS A 1 2 ? -4.203 4.601 -13.298 1.00 96.01 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -4.493 3.362 -12.588 1.00 96.56 2 A 1 ATOM 11 C C . LYS A 1 2 ? -3.587 3.158 -11.378 1.00 96.98 2 A 1 ATOM 12 O O . LYS A 1 2 ? -3.885 2.338 -10.512 1.00 96.33 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -4.352 2.182 -13.546 1.00 95.14 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -5.374 2.198 -14.666 1.00 87.41 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -5.235 0.974 -15.554 1.00 83.87 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -5.585 -0.293 -14.815 1.00 75.98 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -5.544 -1.479 -15.708 1.00 67.75 2 A 1 ATOM 18 N N . TYR A 1 3 ? -2.501 3.892 -11.315 1.00 97.65 3 A 1 ATOM 19 C CA . TYR A 1 3 ? -1.543 3.766 -10.217 1.00 97.91 3 A 1 ATOM 20 C C . TYR A 1 3 ? -2.179 4.109 -8.872 1.00 98.06 3 A 1 ATOM 21 O O . TYR A 1 3 ? -1.717 3.662 -7.823 1.00 97.70 3 A 1 ATOM 22 C CB . TYR A 1 3 ? -0.339 4.677 -10.467 1.00 97.40 3 A 1 ATOM 23 C CG . TYR A 1 3 ? 0.469 4.255 -11.674 1.00 93.03 3 A 1 ATOM 24 C CD1 . TYR A 1 3 ? 1.255 3.112 -11.631 1.00 90.45 3 A 1 ATOM 25 C CD2 . TYR A 1 3 ? 0.442 5.000 -12.839 1.00 90.80 3 A 1 ATOM 26 C CE1 . TYR A 1 3 ? 1.994 2.720 -12.735 1.00 89.84 3 A 1 ATOM 27 C CE2 . TYR A 1 3 ? 1.182 4.614 -13.951 1.00 90.85 3 A 1 ATOM 28 C CZ . TYR A 1 3 ? 1.955 3.470 -13.890 1.00 89.79 3 A 1 ATOM 29 O OH . TYR A 1 3 ? 2.685 3.088 -14.982 1.00 87.49 3 A 1 ATOM 30 N N . ALA A 1 4 ? -3.244 4.905 -8.904 1.00 97.79 4 A 1 ATOM 31 C CA . ALA A 1 4 ? -3.952 5.283 -7.686 1.00 98.18 4 A 1 ATOM 32 C C . ALA A 1 4 ? -4.495 4.051 -6.968 1.00 98.47 4 A 1 ATOM 33 O O . ALA A 1 4 ? -4.504 3.993 -5.741 1.00 98.16 4 A 1 ATOM 34 C CB . ALA A 1 4 ? -5.090 6.238 -8.020 1.00 97.72 4 A 1 ATOM 35 N N . LEU A 1 5 ? -4.943 3.068 -7.735 1.00 98.32 5 A 1 ATOM 36 C CA . LEU A 1 5 ? -5.484 1.831 -7.180 1.00 98.35 5 A 1 ATOM 37 C C . LEU A 1 5 ? -4.396 1.065 -6.437 1.00 98.43 5 A 1 ATOM 38 O O . LEU A 1 5 ? -4.614 0.555 -5.337 1.00 98.31 5 A 1 ATOM 39 C CB . LEU A 1 5 ? -6.072 0.966 -8.302 1.00 98.18 5 A 1 ATOM 40 C CG . LEU A 1 5 ? -7.320 0.172 -7.925 1.00 90.17 5 A 1 ATOM 41 C CD1 . LEU A 1 5 ? -7.039 -0.767 -6.763 1.00 85.84 5 A 1 ATOM 42 C CD2 . LEU A 1 5 ? -8.457 1.123 -7.583 1.00 88.23 5 A 1 ATOM 43 N N . ILE A 1 6 ? -3.227 0.992 -7.046 1.00 98.56 6 A 1 ATOM 44 C CA . ILE A 1 6 ? -2.092 0.292 -6.450 1.00 98.48 6 A 1 ATOM 45 C C . ILE A 1 6 ? -1.643 0.996 -5.175 1.00 98.52 6 A 1 ATOM 46 O O . ILE A 1 6 ? -1.277 0.350 -4.190 1.00 98.31 6 A 1 ATOM 47 C CB . ILE A 1 6 ? -0.919 0.216 -7.445 1.00 98.24 6 A 1 ATOM 48 C CG1 . ILE A 1 6 ? -1.346 -0.521 -8.710 1.00 96.46 6 A 1 ATOM 49 C CG2 . ILE A 1 6 ? 0.276 -0.477 -6.797 1.00 95.85 6 A 1 ATOM 50 C CD1 . ILE A 1 6 ? -0.309 -0.483 -9.811 1.00 90.05 6 A 1 ATOM 51 N N . LEU A 1 7 ? -1.666 2.316 -5.202 1.00 98.39 7 A 1 ATOM 52 C CA . LEU A 1 7 ? -1.259 3.111 -4.047 1.00 98.32 7 A 1 ATOM 53 C C . LEU A 1 7 ? -2.173 2.838 -2.858 1.00 98.39 7 A 1 ATOM 54 O O . LEU A 1 7 ? -1.710 2.679 -1.730 1.00 98.28 7 A 1 ATOM 55 C CB . LEU A 1 7 ? -1.294 4.599 -4.398 1.00 98.08 7 A 1 ATOM 56 C CG . LEU A 1 7 ? -0.834 5.527 -3.275 1.00 89.97 7 A 1 ATOM 57 C CD1 . LEU A 1 7 ? 0.630 5.278 -2.939 1.00 86.32 7 A 1 ATOM 58 C CD2 . LEU A 1 7 ? -1.042 6.980 -3.683 1.00 88.44 7 A 1 ATOM 59 N N . VAL A 1 8 ? -3.466 2.798 -3.108 1.00 98.66 8 A 1 ATOM 60 C CA . VAL A 1 8 ? -4.447 2.542 -2.054 1.00 98.64 8 A 1 ATOM 61 C C . VAL A 1 8 ? -4.233 1.160 -1.452 1.00 98.67 8 A 1 ATOM 62 O O . VAL A 1 8 ? -4.274 0.986 -0.231 1.00 98.47 8 A 1 ATOM 63 C CB . VAL A 1 8 ? -5.886 2.649 -2.598 1.00 98.45 8 A 1 ATOM 64 C CG1 . VAL A 1 8 ? -6.899 2.248 -1.531 1.00 97.06 8 A 1 ATOM 65 C CG2 . VAL A 1 8 ? -6.165 4.067 -3.073 1.00 96.78 8 A 1 ATOM 66 N N . LEU A 1 9 ? -4.006 0.184 -2.301 1.00 98.47 9 A 1 ATOM 67 C CA . LEU A 1 9 ? -3.771 -1.185 -1.853 1.00 98.38 9 A 1 ATOM 68 C C . LEU A 1 9 ? -2.536 -1.261 -0.968 1.00 98.43 9 A 1 ATOM 69 O O . LEU A 1 9 ? -2.555 -1.897 0.089 1.00 98.38 9 A 1 ATOM 70 C CB . LEU A 1 9 ? -3.598 -2.108 -3.058 1.00 98.21 9 A 1 ATOM 71 C CG . LEU A 1 9 ? -3.358 -3.572 -2.703 1.00 89.95 9 A 1 ATOM 72 C CD1 . LEU A 1 9 ? -4.572 -4.156 -2.000 1.00 86.05 9 A 1 ATOM 73 C CD2 . LEU A 1 9 ? -3.041 -4.367 -3.959 1.00 89.81 9 A 1 ATOM 74 N N . PHE A 1 10 ? -1.471 -0.614 -1.397 1.00 98.47 10 A 1 ATOM 75 C CA . PHE A 1 10 ? -0.220 -0.602 -0.648 1.00 98.41 10 A 1 ATOM 76 C C . PHE A 1 10 ? -0.407 0.102 0.693 1.00 98.45 10 A 1 ATOM 77 O O . PHE A 1 10 ? 0.140 -0.316 1.712 1.00 98.17 10 A 1 ATOM 78 C CB . PHE A 1 10 ? 0.867 0.099 -1.463 1.00 98.14 10 A 1 ATOM 79 C CG . PHE A 1 10 ? 2.239 -0.468 -1.205 1.00 94.45 10 A 1 ATOM 80 C CD1 . PHE A 1 10 ? 2.979 -0.056 -0.112 1.00 89.42 10 A 1 ATOM 81 C CD2 . PHE A 1 10 ? 2.769 -1.421 -2.062 1.00 90.89 10 A 1 ATOM 82 C CE1 . PHE A 1 10 ? 4.238 -0.586 0.135 1.00 88.05 10 A 1 ATOM 83 C CE2 . PHE A 1 10 ? 4.028 -1.954 -1.822 1.00 88.91 10 A 1 ATOM 84 C CZ . PHE A 1 10 ? 4.764 -1.539 -0.723 1.00 88.43 10 A 1 ATOM 85 N N . PHE A 1 11 ? -1.189 1.172 0.685 1.00 98.50 11 A 1 ATOM 86 C CA . PHE A 1 11 ? -1.457 1.938 1.900 1.00 98.47 11 A 1 ATOM 87 C C . PHE A 1 11 ? -2.179 1.081 2.932 1.00 98.54 11 A 1 ATOM 88 O O . PHE A 1 11 ? -1.827 1.078 4.109 1.00 98.18 11 A 1 ATOM 89 C CB . PHE A 1 11 ? -2.296 3.172 1.563 1.00 98.21 11 A 1 ATOM 90 C CG . PHE A 1 11 ? -2.465 4.107 2.733 1.00 94.68 11 A 1 ATOM 91 C CD1 . PHE A 1 11 ? -1.436 4.957 3.110 1.00 90.08 11 A 1 ATOM 92 C CD2 . PHE A 1 11 ? -3.652 4.126 3.449 1.00 91.59 11 A 1 ATOM 93 C CE1 . PHE A 1 11 ? -1.585 5.818 4.191 1.00 89.33 11 A 1 ATOM 94 C CE2 . PHE A 1 11 ? -3.806 4.981 4.536 1.00 90.06 11 A 1 ATOM 95 C CZ . PHE A 1 11 ? -2.771 5.828 4.908 1.00 89.25 11 A 1 ATOM 96 N N . VAL A 1 12 ? -3.190 0.349 2.491 1.00 98.63 12 A 1 ATOM 97 C CA . VAL A 1 12 ? -3.957 -0.514 3.384 1.00 98.55 12 A 1 ATOM 98 C C . VAL A 1 12 ? -3.064 -1.579 4.006 1.00 98.59 12 A 1 ATOM 99 O O . VAL A 1 12 ? -3.145 -1.846 5.208 1.00 98.27 12 A 1 ATOM 100 C CB . VAL A 1 12 ? -5.114 -1.195 2.633 1.00 98.27 12 A 1 ATOM 101 C CG1 . VAL A 1 12 ? -5.840 -2.174 3.540 1.00 96.73 12 A 1 ATOM 102 C CG2 . VAL A 1 12 ? -6.083 -0.146 2.111 1.00 96.69 12 A 1 ATOM 103 N N . VAL A 1 13 ? -2.224 -2.187 3.197 1.00 98.67 13 A 1 ATOM 104 C CA . VAL A 1 13 ? -1.303 -3.214 3.676 1.00 98.61 13 A 1 ATOM 105 C C . VAL A 1 13 ? -0.322 -2.629 4.680 1.00 98.62 13 A 1 ATOM 106 O O . VAL A 1 13 ? 0.004 -3.261 5.686 1.00 98.34 13 A 1 ATOM 107 C CB . VAL A 1 13 ? -0.528 -3.846 2.513 1.00 98.38 13 A 1 ATOM 108 C CG1 . VAL A 1 13 ? 0.496 -4.842 3.031 1.00 96.92 13 A 1 ATOM 109 C CG2 . VAL A 1 13 ? -1.487 -4.524 1.555 1.00 96.85 13 A 1 ATOM 110 N N . PHE A 1 14 ? 0.151 -1.423 4.408 1.00 98.59 14 A 1 ATOM 111 C CA . PHE A 1 14 ? 1.102 -0.753 5.286 1.00 98.50 14 A 1 ATOM 112 C C . PHE A 1 14 ? 0.482 -0.495 6.655 1.00 98.49 14 A 1 ATOM 113 O O . PHE A 1 14 ? 1.113 -0.716 7.687 1.00 98.15 14 A 1 ATOM 114 C CB . PHE A 1 14 ? 1.554 0.563 4.657 1.00 98.25 14 A 1 ATOM 115 C CG . PHE A 1 14 ? 2.764 1.147 5.341 1.00 96.49 14 A 1 ATOM 116 C CD1 . PHE A 1 14 ? 2.623 2.003 6.418 1.00 93.37 14 A 1 ATOM 117 C CD2 . PHE A 1 14 ? 4.034 0.816 4.901 1.00 94.10 14 A 1 ATOM 118 C CE1 . PHE A 1 14 ? 3.739 2.526 7.053 1.00 92.29 14 A 1 ATOM 119 C CE2 . PHE A 1 14 ? 5.152 1.338 5.535 1.00 93.23 14 A 1 ATOM 120 C CZ . PHE A 1 14 ? 5.003 2.191 6.611 1.00 92.76 14 A 1 ATOM 121 N N . ILE A 1 15 ? -0.759 -0.030 6.666 1.00 98.66 15 A 1 ATOM 122 C CA . ILE A 1 15 ? -1.469 0.245 7.913 1.00 98.51 15 A 1 ATOM 123 C C . ILE A 1 15 ? -1.664 -1.040 8.706 1.00 98.44 15 A 1 ATOM 124 O O . ILE A 1 15 ? -1.502 -1.072 9.925 1.00 98.12 15 A 1 ATOM 125 C CB . ILE A 1 15 ? -2.835 0.896 7.632 1.00 98.28 15 A 1 ATOM 126 C CG1 . ILE A 1 15 ? -2.654 2.254 6.945 1.00 97.06 15 A 1 ATOM 127 C CG2 . ILE A 1 15 ? -3.623 1.060 8.928 1.00 96.48 15 A 1 ATOM 128 C CD1 . ILE A 1 15 ? -1.885 3.252 7.796 1.00 92.67 15 A 1 ATOM 129 N N . TRP A 1 16 ? -2.020 -2.098 8.010 1.00 98.42 16 A 1 ATOM 130 C CA . TRP A 1 16 ? -2.230 -3.397 8.639 1.00 98.24 16 A 1 ATOM 131 C C . TRP A 1 16 ? -0.940 -3.910 9.276 1.00 98.14 16 A 1 ATOM 132 O O . TRP A 1 16 ? -0.950 -4.401 10.406 1.00 97.41 16 A 1 ATOM 133 C CB . TRP A 1 16 ? -2.731 -4.404 7.605 1.00 97.96 16 A 1 ATOM 134 C CG . TRP A 1 16 ? -2.915 -5.779 8.164 1.00 95.46 16 A 1 ATOM 135 C CD1 . TRP A 1 16 ? -3.798 -6.143 9.129 1.00 88.37 16 A 1 ATOM 136 C CD2 . TRP A 1 16 ? -2.189 -6.967 7.808 1.00 92.28 16 A 1 ATOM 137 N NE1 . TRP A 1 16 ? -3.669 -7.485 9.398 1.00 89.12 16 A 1 ATOM 138 C CE2 . TRP A 1 16 ? -2.693 -8.026 8.602 1.00 93.52 16 A 1 ATOM 139 C CE3 . TRP A 1 16 ? -1.163 -7.242 6.900 1.00 87.87 16 A 1 ATOM 140 C CZ2 . TRP A 1 16 ? -2.199 -9.323 8.505 1.00 88.97 16 A 1 ATOM 141 C CZ3 . TRP A 1 16 ? -0.672 -8.536 6.803 1.00 80.75 16 A 1 ATOM 142 C CH2 . TRP A 1 16 ? -1.190 -9.561 7.605 1.00 81.99 16 A 1 ATOM 143 N N . GLN A 1 17 ? 0.159 -3.797 8.551 1.00 98.27 17 A 1 ATOM 144 C CA . GLN A 1 17 ? 1.459 -4.241 9.046 1.00 97.87 17 A 1 ATOM 145 C C . GLN A 1 17 ? 1.917 -3.391 10.223 1.00 97.18 17 A 1 ATOM 146 O O . GLN A 1 17 ? 2.469 -3.905 11.196 1.00 94.31 17 A 1 ATOM 147 C CB . GLN A 1 17 ? 2.499 -4.169 7.921 1.00 96.83 17 A 1 ATOM 148 C CG . GLN A 1 17 ? 2.309 -5.239 6.859 1.00 88.76 17 A 1 ATOM 149 C CD . GLN A 1 17 ? 2.706 -6.614 7.350 1.00 84.65 17 A 1 ATOM 150 O OE1 . GLN A 1 17 ? 3.279 -6.762 8.420 1.00 77.45 17 A 1 ATOM 151 N NE2 . GLN A 1 17 ? 2.416 -7.638 6.569 1.00 73.59 17 A 1 ATOM 152 N N . SER A 1 18 ? 1.696 -2.099 10.139 1.00 97.59 18 A 1 ATOM 153 C CA . SER A 1 18 ? 2.095 -1.170 11.192 1.00 96.85 18 A 1 ATOM 154 C C . SER A 1 18 ? 1.296 -1.401 12.468 1.00 95.26 18 A 1 ATOM 155 O O . SER A 1 18 ? 1.824 -1.280 13.572 1.00 90.89 18 A 1 ATOM 156 C CB . SER A 1 18 ? 1.911 0.274 10.729 1.00 95.56 18 A 1 ATOM 157 O OG . SER A 1 18 ? 2.410 1.169 11.700 1.00 83.33 18 A 1 ATOM 158 N N . SER A 1 19 ? 0.019 -1.719 12.323 1.00 96.42 19 A 1 ATOM 159 C CA . SER A 1 19 ? -0.861 -1.945 13.463 1.00 95.17 19 A 1 ATOM 160 C C . SER A 1 19 ? -0.580 -3.286 14.133 1.00 92.48 19 A 1 ATOM 161 O O . SER A 1 19 ? -0.834 -3.457 15.325 1.00 86.50 19 A 1 ATOM 162 C CB . SER A 1 19 ? -2.324 -1.892 13.026 1.00 93.45 19 A 1 ATOM 163 O OG . SER A 1 19 ? -2.658 -0.602 12.559 1.00 83.59 19 A 1 ATOM 164 N N . SER A 1 20 ? -0.058 -4.223 13.367 1.00 93.24 20 A 1 ATOM 165 C CA . SER A 1 20 ? 0.242 -5.563 13.871 1.00 90.62 20 A 1 ATOM 166 C C . SER A 1 20 ? 1.384 -5.523 14.885 1.00 85.16 20 A 1 ATOM 167 O O . SER A 1 20 ? 1.119 -5.674 16.088 1.00 77.16 20 A 1 ATOM 168 C CB . SER A 1 20 ? 0.596 -6.493 12.716 1.00 85.30 20 A 1 ATOM 169 O OG . SER A 1 20 ? -0.504 -6.659 11.853 1.00 77.24 20 A 1 ATOM 170 O OXT . SER A 1 20 ? 2.530 -5.360 14.478 1.00 79.39 20 A 1 #