# 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_spkb38614 # _entry.id spkb38614 # 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" "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" "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" "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 ARG 2 1 n ILE 3 1 n TRP 4 1 n ALA 5 1 n VAL 6 1 n LEU 7 1 n ALA 8 1 n SER 9 1 n PHE 10 1 n LEU 11 1 n VAL 12 1 n PHE 13 1 n PHE 14 1 n TYR 15 1 n ILE 16 1 n PRO 17 1 n GLN 18 1 n SER 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 @ 2025-07-07 13:12:41)" _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 91.90 _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 83.41 1 1 A ARG 2 2 82.03 1 2 A ILE 3 2 91.59 1 3 A TRP 4 2 90.69 1 4 A ALA 5 2 97.05 1 5 A VAL 6 2 96.78 1 6 A LEU 7 2 93.59 1 7 A ALA 8 2 96.65 1 8 A SER 9 2 96.39 1 9 A PHE 10 2 94.58 1 10 A LEU 11 2 93.78 1 11 A VAL 12 2 96.64 1 12 A PHE 13 2 94.50 1 13 A PHE 14 2 93.59 1 14 A TYR 15 2 93.94 1 15 A ILE 16 2 93.79 1 16 A PRO 17 2 95.86 1 17 A GLN 18 2 87.97 1 18 A SER 19 2 92.77 1 19 A TYR 20 2 86.71 1 20 A ALA 21 2 87.07 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 ILE . 3 A 3 A 4 1 n TRP . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n TYR . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n PRO . 17 A 17 A 18 1 n GLN . 18 A 18 A 19 1 n SER . 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 ? 8.515 5.255 -16.583 1.00 90.41 1 A 1 ATOM 2 C CA . MET A 1 1 ? 8.580 4.717 -15.217 1.00 91.12 1 A 1 ATOM 3 C C . MET A 1 1 ? 7.195 4.710 -14.580 1.00 92.06 1 A 1 ATOM 4 O O . MET A 1 1 ? 6.542 5.752 -14.509 1.00 87.95 1 A 1 ATOM 5 C CB . MET A 1 1 ? 9.531 5.545 -14.363 1.00 85.64 1 A 1 ATOM 6 C CG . MET A 1 1 ? 9.909 4.864 -13.060 1.00 78.64 1 A 1 ATOM 7 S SD . MET A 1 1 ? 11.186 5.763 -12.169 1.00 75.66 1 A 1 ATOM 8 C CE . MET A 1 1 ? 11.408 4.692 -10.755 1.00 65.81 1 A 1 ATOM 9 N N . ARG A 1 2 ? 6.732 3.557 -14.143 1.00 92.73 2 A 1 ATOM 10 C CA . ARG A 1 2 ? 5.418 3.420 -13.528 1.00 94.53 2 A 1 ATOM 11 C C . ARG A 1 2 ? 5.533 3.396 -12.008 1.00 95.52 2 A 1 ATOM 12 O O . ARG A 1 2 ? 5.569 2.327 -11.403 1.00 93.43 2 A 1 ATOM 13 C CB . ARG A 1 2 ? 4.735 2.148 -14.016 1.00 91.71 2 A 1 ATOM 14 C CG . ARG A 1 2 ? 4.055 2.330 -15.364 1.00 81.68 2 A 1 ATOM 15 C CD . ARG A 1 2 ? 5.080 2.312 -16.487 1.00 81.04 2 A 1 ATOM 16 N NE . ARG A 1 2 ? 4.460 2.497 -17.784 1.00 73.88 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? 4.647 1.697 -18.823 1.00 70.22 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? 5.439 0.652 -18.717 1.00 64.29 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? 4.039 1.941 -19.966 1.00 63.33 2 A 1 ATOM 20 N N . ILE A 1 3 ? 5.589 4.574 -11.429 1.00 94.92 3 A 1 ATOM 21 C CA . ILE A 1 3 ? 5.688 4.686 -9.983 1.00 95.44 3 A 1 ATOM 22 C C . ILE A 1 3 ? 4.312 4.696 -9.335 1.00 96.56 3 A 1 ATOM 23 O O . ILE A 1 3 ? 4.168 4.376 -8.152 1.00 96.02 3 A 1 ATOM 24 C CB . ILE A 1 3 ? 6.449 5.962 -9.591 1.00 94.01 3 A 1 ATOM 25 C CG1 . ILE A 1 3 ? 6.814 5.915 -8.111 1.00 88.10 3 A 1 ATOM 26 C CG2 . ILE A 1 3 ? 5.610 7.200 -9.892 1.00 86.78 3 A 1 ATOM 27 C CD1 . ILE A 1 3 ? 7.889 4.914 -7.789 1.00 80.89 3 A 1 ATOM 28 N N . TRP A 1 4 ? 3.301 5.050 -10.132 1.00 96.19 4 A 1 ATOM 29 C CA . TRP A 1 4 ? 1.937 5.110 -9.638 1.00 96.13 4 A 1 ATOM 30 C C . TRP A 1 4 ? 1.481 3.730 -9.174 1.00 96.77 4 A 1 ATOM 31 O O . TRP A 1 4 ? 0.711 3.614 -8.220 1.00 96.40 4 A 1 ATOM 32 C CB . TRP A 1 4 ? 1.001 5.646 -10.713 1.00 95.40 4 A 1 ATOM 33 C CG . TRP A 1 4 ? 0.748 4.687 -11.826 1.00 92.29 4 A 1 ATOM 34 C CD1 . TRP A 1 4 ? 1.429 4.594 -12.991 1.00 87.68 4 A 1 ATOM 35 C CD2 . TRP A 1 4 ? -0.263 3.665 -11.865 1.00 90.26 4 A 1 ATOM 36 N NE1 . TRP A 1 4 ? 0.911 3.576 -13.760 1.00 87.35 4 A 1 ATOM 37 C CE2 . TRP A 1 4 ? -0.134 2.990 -13.089 1.00 89.71 4 A 1 ATOM 38 C CE3 . TRP A 1 4 ? -1.266 3.269 -10.983 1.00 86.86 4 A 1 ATOM 39 C CZ2 . TRP A 1 4 ? -0.970 1.939 -13.443 1.00 87.42 4 A 1 ATOM 40 C CZ3 . TRP A 1 4 ? -2.101 2.221 -11.335 1.00 83.20 4 A 1 ATOM 41 C CH2 . TRP A 1 4 ? -1.947 1.562 -12.558 1.00 83.95 4 A 1 ATOM 42 N N . ALA A 1 5 ? 1.953 2.702 -9.855 1.00 97.13 5 A 1 ATOM 43 C CA . ALA A 1 5 ? 1.603 1.334 -9.499 1.00 97.21 5 A 1 ATOM 44 C C . ALA A 1 5 ? 2.114 1.004 -8.106 1.00 97.51 5 A 1 ATOM 45 O O . ALA A 1 5 ? 1.451 0.307 -7.339 1.00 96.85 5 A 1 ATOM 46 C CB . ALA A 1 5 ? 2.178 0.360 -10.517 1.00 96.55 5 A 1 ATOM 47 N N . VAL A 1 6 ? 3.291 1.507 -7.798 1.00 97.76 6 A 1 ATOM 48 C CA . VAL A 1 6 ? 3.888 1.288 -6.486 1.00 97.74 6 A 1 ATOM 49 C C . VAL A 1 6 ? 3.131 2.078 -5.428 1.00 97.98 6 A 1 ATOM 50 O O . VAL A 1 6 ? 2.956 1.617 -4.299 1.00 97.65 6 A 1 ATOM 51 C CB . VAL A 1 6 ? 5.372 1.693 -6.477 1.00 97.21 6 A 1 ATOM 52 C CG1 . VAL A 1 6 ? 5.974 1.482 -5.098 1.00 94.61 6 A 1 ATOM 53 C CG2 . VAL A 1 6 ? 6.139 0.904 -7.520 1.00 94.52 6 A 1 ATOM 54 N N . LEU A 1 7 ? 2.689 3.261 -5.811 1.00 96.92 7 A 1 ATOM 55 C CA . LEU A 1 7 ? 1.934 4.110 -4.901 1.00 96.73 7 A 1 ATOM 56 C C . LEU A 1 7 ? 0.621 3.447 -4.522 1.00 97.19 7 A 1 ATOM 57 O O . LEU A 1 7 ? 0.190 3.519 -3.372 1.00 97.39 7 A 1 ATOM 58 C CB . LEU A 1 7 ? 1.666 5.464 -5.552 1.00 96.44 7 A 1 ATOM 59 C CG . LEU A 1 7 ? 2.890 6.361 -5.671 1.00 89.74 7 A 1 ATOM 60 C CD1 . LEU A 1 7 ? 2.565 7.594 -6.495 1.00 86.62 7 A 1 ATOM 61 C CD2 . LEU A 1 7 ? 3.387 6.761 -4.292 1.00 87.66 7 A 1 ATOM 62 N N . ALA A 1 8 ? -0.012 2.814 -5.501 1.00 96.89 8 A 1 ATOM 63 C CA . ALA A 1 8 ? -1.266 2.109 -5.270 1.00 96.78 8 A 1 ATOM 64 C C . ALA A 1 8 ? -1.055 0.978 -4.275 1.00 97.10 8 A 1 ATOM 65 O O . ALA A 1 8 ? -1.878 0.758 -3.387 1.00 96.38 8 A 1 ATOM 66 C CB . ALA A 1 8 ? -1.807 1.557 -6.578 1.00 96.12 8 A 1 ATOM 67 N N . SER A 1 9 ? 0.050 0.271 -4.448 1.00 97.81 9 A 1 ATOM 68 C CA . SER A 1 9 ? 0.389 -0.828 -3.555 1.00 97.85 9 A 1 ATOM 69 C C . SER A 1 9 ? 0.757 -0.292 -2.180 1.00 98.03 9 A 1 ATOM 70 O O . SER A 1 9 ? 0.511 -0.938 -1.160 1.00 97.40 9 A 1 ATOM 71 C CB . SER A 1 9 ? 1.552 -1.637 -4.123 1.00 97.36 9 A 1 ATOM 72 O OG . SER A 1 9 ? 1.806 -2.768 -3.330 1.00 89.92 9 A 1 ATOM 73 N N . PHE A 1 10 ? 1.338 0.890 -2.177 1.00 97.64 10 A 1 ATOM 74 C CA . PHE A 1 10 ? 1.733 1.541 -0.936 1.00 97.38 10 A 1 ATOM 75 C C . PHE A 1 10 ? 0.507 1.847 -0.085 1.00 97.50 10 A 1 ATOM 76 O O . PHE A 1 10 ? 0.521 1.662 1.131 1.00 97.01 10 A 1 ATOM 77 C CB . PHE A 1 10 ? 2.490 2.829 -1.246 1.00 97.12 10 A 1 ATOM 78 C CG . PHE A 1 10 ? 2.932 3.565 -0.012 1.00 95.35 10 A 1 ATOM 79 C CD1 . PHE A 1 10 ? 3.938 3.057 0.787 1.00 91.99 10 A 1 ATOM 80 C CD2 . PHE A 1 10 ? 2.335 4.761 0.342 1.00 92.86 10 A 1 ATOM 81 C CE1 . PHE A 1 10 ? 4.349 3.730 1.924 1.00 90.92 10 A 1 ATOM 82 C CE2 . PHE A 1 10 ? 2.742 5.439 1.485 1.00 90.98 10 A 1 ATOM 83 C CZ . PHE A 1 10 ? 3.747 4.923 2.275 1.00 91.60 10 A 1 ATOM 84 N N . LEU A 1 11 ? -0.545 2.308 -0.738 1.00 97.08 11 A 1 ATOM 85 C CA . LEU A 1 11 ? -1.785 2.629 -0.046 1.00 96.74 11 A 1 ATOM 86 C C . LEU A 1 11 ? -2.434 1.365 0.493 1.00 96.86 11 A 1 ATOM 87 O O . LEU A 1 11 ? -2.964 1.352 1.604 1.00 96.68 11 A 1 ATOM 88 C CB . LEU A 1 11 ? -2.749 3.341 -0.994 1.00 96.67 11 A 1 ATOM 89 C CG . LEU A 1 11 ? -2.287 4.727 -1.434 1.00 91.44 11 A 1 ATOM 90 C CD1 . LEU A 1 11 ? -3.214 5.279 -2.501 1.00 86.71 11 A 1 ATOM 91 C CD2 . LEU A 1 11 ? -2.229 5.670 -0.241 1.00 88.09 11 A 1 ATOM 92 N N . VAL A 1 12 ? -2.402 0.312 -0.306 1.00 97.77 12 A 1 ATOM 93 C CA . VAL A 1 12 ? -2.969 -0.969 0.100 1.00 97.60 12 A 1 ATOM 94 C C . VAL A 1 12 ? -2.201 -1.524 1.291 1.00 97.63 12 A 1 ATOM 95 O O . VAL A 1 12 ? -2.781 -2.132 2.192 1.00 96.98 12 A 1 ATOM 96 C CB . VAL A 1 12 ? -2.933 -1.979 -1.055 1.00 97.06 12 A 1 ATOM 97 C CG1 . VAL A 1 12 ? -3.440 -3.334 -0.598 1.00 94.73 12 A 1 ATOM 98 C CG2 . VAL A 1 12 ? -3.750 -1.466 -2.224 1.00 94.69 12 A 1 ATOM 99 N N . PHE A 1 13 ? -0.898 -1.311 1.279 1.00 97.59 13 A 1 ATOM 100 C CA . PHE A 1 13 ? -0.038 -1.775 2.360 1.00 97.24 13 A 1 ATOM 101 C C . PHE A 1 13 ? -0.417 -1.091 3.670 1.00 97.41 13 A 1 ATOM 102 O O . PHE A 1 13 ? -0.241 -1.662 4.746 1.00 96.80 13 A 1 ATOM 103 C CB . PHE A 1 13 ? 1.422 -1.489 2.023 1.00 96.80 13 A 1 ATOM 104 C CG . PHE A 1 13 ? 2.387 -2.146 2.970 1.00 94.79 13 A 1 ATOM 105 C CD1 . PHE A 1 13 ? 2.571 -3.514 2.943 1.00 92.09 13 A 1 ATOM 106 C CD2 . PHE A 1 13 ? 3.102 -1.393 3.886 1.00 92.67 13 A 1 ATOM 107 C CE1 . PHE A 1 13 ? 3.455 -4.128 3.812 1.00 91.16 13 A 1 ATOM 108 C CE2 . PHE A 1 13 ? 3.985 -2.003 4.762 1.00 91.37 13 A 1 ATOM 109 C CZ . PHE A 1 13 ? 4.161 -3.369 4.724 1.00 91.54 13 A 1 ATOM 110 N N . PHE A 1 14 ? -0.937 0.115 3.560 1.00 97.35 14 A 1 ATOM 111 C CA . PHE A 1 14 ? -1.352 0.874 4.732 1.00 96.90 14 A 1 ATOM 112 C C . PHE A 1 14 ? -2.761 0.489 5.155 1.00 97.13 14 A 1 ATOM 113 O O . PHE A 1 14 ? -3.128 0.633 6.320 1.00 96.35 14 A 1 ATOM 114 C CB . PHE A 1 14 ? -1.290 2.368 4.431 1.00 96.47 14 A 1 ATOM 115 C CG . PHE A 1 14 ? 0.078 2.961 4.666 1.00 94.47 14 A 1 ATOM 116 C CD1 . PHE A 1 14 ? 1.215 2.189 4.555 1.00 90.52 14 A 1 ATOM 117 C CD2 . PHE A 1 14 ? 0.211 4.298 5.008 1.00 91.23 14 A 1 ATOM 118 C CE1 . PHE A 1 14 ? 2.467 2.725 4.782 1.00 89.45 14 A 1 ATOM 119 C CE2 . PHE A 1 14 ? 1.460 4.844 5.235 1.00 89.74 14 A 1 ATOM 120 C CZ . PHE A 1 14 ? 2.587 4.057 5.122 1.00 89.91 14 A 1 ATOM 121 N N . TYR A 1 15 ? -3.540 -0.005 4.206 1.00 97.52 15 A 1 ATOM 122 C CA . TYR A 1 15 ? -4.916 -0.395 4.473 1.00 97.29 15 A 1 ATOM 123 C C . TYR A 1 15 ? -4.974 -1.748 5.174 1.00 97.43 15 A 1 ATOM 124 O O . TYR A 1 15 ? -5.954 -2.059 5.855 1.00 96.70 15 A 1 ATOM 125 C CB . TYR A 1 15 ? -5.707 -0.454 3.167 1.00 96.89 15 A 1 ATOM 126 C CG . TYR A 1 15 ? -6.179 0.910 2.700 1.00 94.57 15 A 1 ATOM 127 C CD1 . TYR A 1 15 ? -5.479 2.058 3.023 1.00 92.29 15 A 1 ATOM 128 C CD2 . TYR A 1 15 ? -7.336 1.043 1.937 1.00 92.04 15 A 1 ATOM 129 C CE1 . TYR A 1 15 ? -5.904 3.305 2.603 1.00 90.78 15 A 1 ATOM 130 C CE2 . TYR A 1 15 ? -7.769 2.285 1.513 1.00 91.06 15 A 1 ATOM 131 C CZ . TYR A 1 15 ? -7.049 3.411 1.848 1.00 90.98 15 A 1 ATOM 132 O OH . TYR A 1 15 ? -7.472 4.648 1.430 1.00 89.79 15 A 1 ATOM 133 N N . ILE A 1 16 ? -3.937 -2.548 5.003 1.00 96.70 16 A 1 ATOM 134 C CA . ILE A 1 16 ? -3.869 -3.861 5.633 1.00 95.99 16 A 1 ATOM 135 C C . ILE A 1 16 ? -3.958 -3.755 7.158 1.00 96.13 16 A 1 ATOM 136 O O . ILE A 1 16 ? -4.812 -4.400 7.774 1.00 95.47 16 A 1 ATOM 137 C CB . ILE A 1 16 ? -2.587 -4.612 5.226 1.00 95.40 16 A 1 ATOM 138 C CG1 . ILE A 1 16 ? -2.583 -4.920 3.732 1.00 92.28 16 A 1 ATOM 139 C CG2 . ILE A 1 16 ? -2.481 -5.910 6.020 1.00 91.85 16 A 1 ATOM 140 C CD1 . ILE A 1 16 ? -1.260 -5.455 3.230 1.00 86.51 16 A 1 ATOM 141 N N . PRO A 1 17 ? -3.078 -2.970 7.769 1.00 96.90 17 A 1 ATOM 142 C CA . PRO A 1 17 ? -3.102 -2.810 9.226 1.00 96.52 17 A 1 ATOM 143 C C . PRO A 1 17 ? -4.354 -2.091 9.702 1.00 96.53 17 A 1 ATOM 144 O O . PRO A 1 17 ? -4.810 -2.308 10.826 1.00 94.92 17 A 1 ATOM 145 C CB . PRO A 1 17 ? -1.849 -1.977 9.513 1.00 95.31 17 A 1 ATOM 146 C CG . PRO A 1 17 ? -1.577 -1.256 8.243 1.00 94.56 17 A 1 ATOM 147 C CD . PRO A 1 17 ? -2.008 -2.185 7.148 1.00 96.30 17 A 1 ATOM 148 N N . GLN A 1 18 ? -4.904 -1.253 8.860 1.00 94.77 18 A 1 ATOM 149 C CA . GLN A 1 18 ? -6.110 -0.509 9.198 1.00 93.79 18 A 1 ATOM 150 C C . GLN A 1 18 ? -7.280 -1.463 9.406 1.00 93.52 18 A 1 ATOM 151 O O . GLN A 1 18 ? -8.160 -1.207 10.227 1.00 91.70 18 A 1 ATOM 152 C CB . GLN A 1 18 ? -6.445 0.495 8.096 1.00 92.77 18 A 1 ATOM 153 C CG . GLN A 1 18 ? -7.570 1.440 8.487 1.00 87.81 18 A 1 ATOM 154 C CD . GLN A 1 18 ? -7.795 2.535 7.464 1.00 84.54 18 A 1 ATOM 155 O OE1 . GLN A 1 18 ? -7.097 2.623 6.464 1.00 77.50 18 A 1 ATOM 156 N NE2 . GLN A 1 18 ? -8.784 3.386 7.710 1.00 75.29 18 A 1 ATOM 157 N N . SER A 1 19 ? -7.284 -2.555 8.656 1.00 95.55 19 A 1 ATOM 158 C CA . SER A 1 19 ? -8.334 -3.557 8.775 1.00 95.18 19 A 1 ATOM 159 C C . SER A 1 19 ? -8.168 -4.355 10.064 1.00 95.05 19 A 1 ATOM 160 O O . SER A 1 19 ? -9.140 -4.847 10.632 1.00 92.44 19 A 1 ATOM 161 C CB . SER A 1 19 ? -8.320 -4.501 7.572 1.00 93.68 19 A 1 ATOM 162 O OG . SER A 1 19 ? -8.667 -3.813 6.382 1.00 84.73 19 A 1 ATOM 163 N N . TYR A 1 20 ? -6.929 -4.481 10.507 1.00 93.48 20 A 1 ATOM 164 C CA . TYR A 1 20 ? -6.627 -5.213 11.736 1.00 91.79 20 A 1 ATOM 165 C C . TYR A 1 20 ? -6.972 -4.389 12.974 1.00 91.45 20 A 1 ATOM 166 O O . TYR A 1 20 ? -7.123 -4.930 14.069 1.00 87.24 20 A 1 ATOM 167 C CB . TYR A 1 20 ? -5.144 -5.594 11.763 1.00 90.29 20 A 1 ATOM 168 C CG . TYR A 1 20 ? -4.815 -6.766 10.861 1.00 87.46 20 A 1 ATOM 169 C CD1 . TYR A 1 20 ? -5.428 -7.993 11.050 1.00 84.96 20 A 1 ATOM 170 C CD2 . TYR A 1 20 ? -3.896 -6.637 9.837 1.00 84.43 20 A 1 ATOM 171 C CE1 . TYR A 1 20 ? -5.129 -9.072 10.235 1.00 82.50 20 A 1 ATOM 172 C CE2 . TYR A 1 20 ? -3.588 -7.712 9.015 1.00 83.05 20 A 1 ATOM 173 C CZ . TYR A 1 20 ? -4.209 -8.926 9.218 1.00 82.24 20 A 1 ATOM 174 O OH . TYR A 1 20 ? -3.911 -9.987 8.407 1.00 81.66 20 A 1 ATOM 175 N N . ALA A 1 21 ? -7.096 -3.090 12.781 1.00 92.74 21 A 1 ATOM 176 C CA . ALA A 1 21 ? -7.404 -2.192 13.878 1.00 91.55 21 A 1 ATOM 177 C C . ALA A 1 21 ? -8.910 -1.963 14.003 1.00 88.37 21 A 1 ATOM 178 O O . ALA A 1 21 ? -9.650 -2.246 13.046 1.00 83.16 21 A 1 ATOM 179 C CB . ALA A 1 21 ? -6.666 -0.872 13.698 1.00 87.45 21 A 1 ATOM 180 O OXT . ALA A 1 21 ? -9.360 -1.481 15.058 1.00 79.18 21 A 1 #