# 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_spkb17391 # _entry.id spkb17391 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)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" "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" "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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" # _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 ILE 2 1 n GLY 3 1 n ILE 4 1 n THR 5 1 n LYS 6 1 n LEU 7 1 n ILE 8 1 n SER 9 1 n ILE 10 1 n TRP 11 1 n ASN 12 1 n ALA 13 1 n ILE 14 1 n TRP 15 1 n ASN 16 1 n PHE 17 1 n LEU 18 1 n LEU 19 1 n LEU 20 1 n PRO 21 1 n GLU 22 1 n ILE 23 1 n ILE 24 1 n ILE 25 1 n SER 26 # _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 @ 2025-07-08 10:22:11)" _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 87.49 _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 76.44 1 1 A ILE 2 2 79.02 1 2 A GLY 3 2 90.61 1 3 A ILE 4 2 89.44 1 4 A THR 5 2 89.01 1 5 A LYS 6 2 86.47 1 6 A LEU 7 2 90.29 1 7 A ILE 8 2 92.23 1 8 A SER 9 2 91.39 1 9 A ILE 10 2 92.25 1 10 A TRP 11 2 87.44 1 11 A ASN 12 2 90.50 1 12 A ALA 13 2 95.20 1 13 A ILE 14 2 93.79 1 14 A TRP 15 2 86.37 1 15 A ASN 16 2 89.75 1 16 A PHE 17 2 90.41 1 17 A LEU 18 2 91.88 1 18 A LEU 19 2 89.03 1 19 A LEU 20 2 85.84 1 20 A PRO 21 2 88.91 1 21 A GLU 22 2 79.58 1 22 A ILE 23 2 85.67 1 23 A ILE 24 2 86.03 1 24 A ILE 25 2 85.48 1 25 A SER 26 2 77.19 1 26 # _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 ILE . 2 A 2 A 3 1 n GLY . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n TRP . 11 A 11 A 12 1 n ASN . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n TRP . 15 A 15 A 16 1 n ASN . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n ILE . 23 A 23 A 24 1 n ILE . 24 A 24 A 25 1 n ILE . 25 A 25 A 26 1 n SER . 26 A 26 # _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 ? -17.656 10.745 8.157 1.00 82.10 1 A 1 ATOM 2 C CA . MET A 1 1 ? -16.582 10.734 7.129 1.00 86.29 1 A 1 ATOM 3 C C . MET A 1 1 ? -15.492 9.680 7.442 1.00 85.46 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.321 9.918 7.193 1.00 79.72 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.023 12.166 6.973 1.00 79.06 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.649 12.500 5.520 1.00 71.54 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.565 14.289 5.245 1.00 65.41 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.818 14.612 5.584 1.00 61.98 1 A 1 ATOM 9 N N . ILE A 1 2 ? -15.883 8.538 8.025 1.00 84.17 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -14.944 7.536 8.586 1.00 86.12 2 A 1 ATOM 11 C C . ILE A 1 2 ? -14.484 6.516 7.524 1.00 87.58 2 A 1 ATOM 12 O O . ILE A 1 2 ? -13.414 5.927 7.645 1.00 83.22 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -15.617 6.874 9.815 1.00 81.91 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -15.914 7.926 10.921 1.00 73.86 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -14.766 5.737 10.408 1.00 70.83 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -16.897 7.443 11.998 1.00 64.49 2 A 1 ATOM 17 N N . GLY A 1 3 ? -15.265 6.334 6.444 1.00 88.73 3 A 1 ATOM 18 C CA . GLY A 1 3 ? -14.940 5.346 5.407 1.00 90.95 3 A 1 ATOM 19 C C . GLY A 1 3 ? -13.730 5.736 4.551 1.00 92.41 3 A 1 ATOM 20 O O . GLY A 1 3 ? -12.856 4.904 4.305 1.00 90.35 3 A 1 ATOM 21 N N . ILE A 1 4 ? -13.641 7.000 4.136 1.00 93.58 4 A 1 ATOM 22 C CA . ILE A 1 4 ? -12.577 7.486 3.239 1.00 94.36 4 A 1 ATOM 23 C C . ILE A 1 4 ? -11.221 7.486 3.952 1.00 94.63 4 A 1 ATOM 24 O O . ILE A 1 4 ? -10.232 7.013 3.394 1.00 94.04 4 A 1 ATOM 25 C CB . ILE A 1 4 ? -12.939 8.879 2.683 1.00 92.89 4 A 1 ATOM 26 C CG1 . ILE A 1 4 ? -14.246 8.802 1.855 1.00 85.96 4 A 1 ATOM 27 C CG2 . ILE A 1 4 ? -11.789 9.434 1.821 1.00 83.04 4 A 1 ATOM 28 C CD1 . ILE A 1 4 ? -14.788 10.170 1.417 1.00 77.05 4 A 1 ATOM 29 N N . THR A 1 5 ? -11.172 7.940 5.202 1.00 93.14 5 A 1 ATOM 30 C CA . THR A 1 5 ? -9.937 7.947 6.002 1.00 93.04 5 A 1 ATOM 31 C C . THR A 1 5 ? -9.396 6.537 6.236 1.00 93.47 5 A 1 ATOM 32 O O . THR A 1 5 ? -8.184 6.326 6.180 1.00 92.48 5 A 1 ATOM 33 C CB . THR A 1 5 ? -10.170 8.634 7.350 1.00 91.54 5 A 1 ATOM 34 O OG1 . THR A 1 5 ? -11.329 8.125 7.971 1.00 82.25 5 A 1 ATOM 35 C CG2 . THR A 1 5 ? -10.375 10.136 7.187 1.00 77.14 5 A 1 ATOM 36 N N . LYS A 1 6 ? -10.281 5.553 6.421 1.00 94.32 6 A 1 ATOM 37 C CA . LYS A 1 6 ? -9.895 4.147 6.566 1.00 94.17 6 A 1 ATOM 38 C C . LYS A 1 6 ? -9.329 3.580 5.257 1.00 94.71 6 A 1 ATOM 39 O O . LYS A 1 6 ? -8.309 2.898 5.294 1.00 93.85 6 A 1 ATOM 40 C CB . LYS A 1 6 ? -11.093 3.347 7.098 1.00 93.31 6 A 1 ATOM 41 C CG . LYS A 1 6 ? -10.660 1.968 7.614 1.00 85.04 6 A 1 ATOM 42 C CD . LYS A 1 6 ? -11.823 1.257 8.321 1.00 80.83 6 A 1 ATOM 43 C CE . LYS A 1 6 ? -11.333 -0.063 8.920 1.00 74.51 6 A 1 ATOM 44 N NZ . LYS A 1 6 ? -12.407 -0.783 9.648 1.00 67.49 6 A 1 ATOM 45 N N . LEU A 1 7 ? -9.930 3.910 4.112 1.00 94.52 7 A 1 ATOM 46 C CA . LEU A 1 7 ? -9.425 3.509 2.793 1.00 94.54 7 A 1 ATOM 47 C C . LEU A 1 7 ? -8.047 4.122 2.504 1.00 94.91 7 A 1 ATOM 48 O O . LEU A 1 7 ? -7.150 3.406 2.075 1.00 94.85 7 A 1 ATOM 49 C CB . LEU A 1 7 ? -10.432 3.908 1.703 1.00 93.80 7 A 1 ATOM 50 C CG . LEU A 1 7 ? -11.721 3.070 1.700 1.00 86.29 7 A 1 ATOM 51 C CD1 . LEU A 1 7 ? -12.729 3.684 0.727 1.00 81.43 7 A 1 ATOM 52 C CD2 . LEU A 1 7 ? -11.466 1.624 1.278 1.00 81.95 7 A 1 ATOM 53 N N . ILE A 1 8 ? -7.855 5.406 2.805 1.00 95.24 8 A 1 ATOM 54 C CA . ILE A 1 8 ? -6.560 6.089 2.661 1.00 94.88 8 A 1 ATOM 55 C C . ILE A 1 8 ? -5.502 5.439 3.561 1.00 94.81 8 A 1 ATOM 56 O O . ILE A 1 8 ? -4.381 5.201 3.117 1.00 94.58 8 A 1 ATOM 57 C CB . ILE A 1 8 ? -6.708 7.595 2.958 1.00 94.53 8 A 1 ATOM 58 C CG1 . ILE A 1 8 ? -7.586 8.277 1.881 1.00 91.24 8 A 1 ATOM 59 C CG2 . ILE A 1 8 ? -5.333 8.293 3.017 1.00 89.31 8 A 1 ATOM 60 C CD1 . ILE A 1 8 ? -8.073 9.675 2.277 1.00 83.23 8 A 1 ATOM 61 N N . SER A 1 9 ? -5.857 5.103 4.799 1.00 94.65 9 A 1 ATOM 62 C CA . SER A 1 9 ? -4.938 4.438 5.733 1.00 94.13 9 A 1 ATOM 63 C C . SER A 1 9 ? -4.504 3.059 5.230 1.00 94.70 9 A 1 ATOM 64 O O . SER A 1 9 ? -3.320 2.735 5.289 1.00 93.72 9 A 1 ATOM 65 C CB . SER A 1 9 ? -5.597 4.321 7.107 1.00 92.53 9 A 1 ATOM 66 O OG . SER A 1 9 ? -4.694 3.774 8.049 1.00 78.58 9 A 1 ATOM 67 N N . ILE A 1 10 ? -5.439 2.264 4.699 1.00 94.76 10 A 1 ATOM 68 C CA . ILE A 1 10 ? -5.142 0.944 4.122 1.00 94.61 10 A 1 ATOM 69 C C . ILE A 1 10 ? -4.260 1.099 2.880 1.00 95.09 10 A 1 ATOM 70 O O . ILE A 1 10 ? -3.255 0.402 2.754 1.00 94.56 10 A 1 ATOM 71 C CB . ILE A 1 10 ? -6.453 0.190 3.806 1.00 94.05 10 A 1 ATOM 72 C CG1 . ILE A 1 10 ? -7.186 -0.184 5.118 1.00 90.87 10 A 1 ATOM 73 C CG2 . ILE A 1 10 ? -6.183 -1.085 2.981 1.00 89.51 10 A 1 ATOM 74 C CD1 . ILE A 1 10 ? -8.647 -0.605 4.906 1.00 84.54 10 A 1 ATOM 75 N N . TRP A 1 11 ? -4.597 2.030 1.980 1.00 94.73 11 A 1 ATOM 76 C CA . TRP A 1 11 ? -3.800 2.322 0.782 1.00 94.45 11 A 1 ATOM 77 C C . TRP A 1 11 ? -2.374 2.726 1.146 1.00 95.01 11 A 1 ATOM 78 O O . TRP A 1 11 ? -1.420 2.178 0.602 1.00 94.88 11 A 1 ATOM 79 C CB . TRP A 1 11 ? -4.487 3.426 -0.024 1.00 93.90 11 A 1 ATOM 80 C CG . TRP A 1 11 ? -3.700 3.826 -1.234 1.00 90.37 11 A 1 ATOM 81 C CD1 . TRP A 1 11 ? -2.898 4.919 -1.342 1.00 84.34 11 A 1 ATOM 82 C CD2 . TRP A 1 11 ? -3.575 3.111 -2.496 1.00 86.97 11 A 1 ATOM 83 N NE1 . TRP A 1 11 ? -2.296 4.926 -2.594 1.00 82.21 11 A 1 ATOM 84 C CE2 . TRP A 1 11 ? -2.679 3.834 -3.334 1.00 85.55 11 A 1 ATOM 85 C CE3 . TRP A 1 11 ? -4.136 1.920 -3.009 1.00 81.36 11 A 1 ATOM 86 C CZ2 . TRP A 1 11 ? -2.345 3.393 -4.631 1.00 83.14 11 A 1 ATOM 87 C CZ3 . TRP A 1 11 ? -3.808 1.480 -4.300 1.00 78.55 11 A 1 ATOM 88 C CH2 . TRP A 1 11 ? -2.916 2.209 -5.103 1.00 78.68 11 A 1 ATOM 89 N N . ASN A 1 12 ? -2.220 3.629 2.118 1.00 95.67 12 A 1 ATOM 90 C CA . ASN A 1 12 ? -0.909 4.088 2.562 1.00 95.18 12 A 1 ATOM 91 C C . ASN A 1 12 ? -0.094 2.955 3.202 1.00 95.37 12 A 1 ATOM 92 O O . ASN A 1 12 ? 1.106 2.858 2.979 1.00 94.93 12 A 1 ATOM 93 C CB . ASN A 1 12 ? -1.116 5.264 3.529 1.00 94.10 12 A 1 ATOM 94 C CG . ASN A 1 12 ? 0.166 6.041 3.761 1.00 87.53 12 A 1 ATOM 95 O OD1 . ASN A 1 12 ? 1.026 6.151 2.910 1.00 80.18 12 A 1 ATOM 96 N ND2 . ASN A 1 12 ? 0.328 6.644 4.913 1.00 81.00 12 A 1 ATOM 97 N N . ALA A 1 13 ? -0.738 2.049 3.953 1.00 95.55 13 A 1 ATOM 98 C CA . ALA A 1 13 ? -0.068 0.883 4.527 1.00 95.43 13 A 1 ATOM 99 C C . ALA A 1 13 ? 0.441 -0.078 3.440 1.00 95.84 13 A 1 ATOM 100 O O . ALA A 1 13 ? 1.591 -0.509 3.501 1.00 94.34 13 A 1 ATOM 101 C CB . ALA A 1 13 ? -1.032 0.182 5.495 1.00 94.82 13 A 1 ATOM 102 N N . ILE A 1 14 ? -0.383 -0.372 2.428 1.00 95.50 14 A 1 ATOM 103 C CA . ILE A 1 14 ? 0.000 -1.226 1.293 1.00 95.14 14 A 1 ATOM 104 C C . ILE A 1 14 ? 1.132 -0.570 0.501 1.00 95.02 14 A 1 ATOM 105 O O . ILE A 1 14 ? 2.125 -1.222 0.182 1.00 94.19 14 A 1 ATOM 106 C CB . ILE A 1 14 ? -1.224 -1.512 0.400 1.00 95.12 14 A 1 ATOM 107 C CG1 . ILE A 1 14 ? -2.258 -2.374 1.163 1.00 93.98 14 A 1 ATOM 108 C CG2 . ILE A 1 14 ? -0.810 -2.225 -0.901 1.00 92.56 14 A 1 ATOM 109 C CD1 . ILE A 1 14 ? -3.631 -2.428 0.485 1.00 88.83 14 A 1 ATOM 110 N N . TRP A 1 15 ? 1.018 0.724 0.209 1.00 94.41 15 A 1 ATOM 111 C CA . TRP A 1 15 ? 2.021 1.482 -0.546 1.00 93.55 15 A 1 ATOM 112 C C . TRP A 1 15 ? 3.368 1.508 0.178 1.00 93.68 15 A 1 ATOM 113 O O . TRP A 1 15 ? 4.394 1.204 -0.423 1.00 93.13 15 A 1 ATOM 114 C CB . TRP A 1 15 ? 1.489 2.891 -0.790 1.00 92.82 15 A 1 ATOM 115 C CG . TRP A 1 15 ? 2.287 3.658 -1.790 1.00 89.69 15 A 1 ATOM 116 C CD1 . TRP A 1 15 ? 3.109 4.701 -1.521 1.00 82.63 15 A 1 ATOM 117 C CD2 . TRP A 1 15 ? 2.363 3.441 -3.224 1.00 85.62 15 A 1 ATOM 118 N NE1 . TRP A 1 15 ? 3.678 5.151 -2.697 1.00 81.63 15 A 1 ATOM 119 C CE2 . TRP A 1 15 ? 3.257 4.406 -3.775 1.00 85.15 15 A 1 ATOM 120 C CE3 . TRP A 1 15 ? 1.771 2.522 -4.122 1.00 80.64 15 A 1 ATOM 121 C CZ2 . TRP A 1 15 ? 3.558 4.452 -5.149 1.00 82.34 15 A 1 ATOM 122 C CZ3 . TRP A 1 15 ? 2.065 2.566 -5.490 1.00 76.63 15 A 1 ATOM 123 C CH2 . TRP A 1 15 ? 2.959 3.521 -6.003 1.00 77.23 15 A 1 ATOM 124 N N . ASN A 1 16 ? 3.368 1.779 1.480 1.00 94.54 16 A 1 ATOM 125 C CA . ASN A 1 16 ? 4.585 1.725 2.284 1.00 93.56 16 A 1 ATOM 126 C C . ASN A 1 16 ? 5.175 0.313 2.317 1.00 93.83 16 A 1 ATOM 127 O O . ASN A 1 16 ? 6.383 0.162 2.169 1.00 92.99 16 A 1 ATOM 128 C CB . ASN A 1 16 ? 4.288 2.221 3.707 1.00 92.40 16 A 1 ATOM 129 C CG . ASN A 1 16 ? 4.194 3.730 3.781 1.00 88.47 16 A 1 ATOM 130 O OD1 . ASN A 1 16 ? 5.004 4.466 3.258 1.00 80.60 16 A 1 ATOM 131 N ND2 . ASN A 1 16 ? 3.204 4.246 4.461 1.00 81.61 16 A 1 ATOM 132 N N . PHE A 1 17 ? 4.348 -0.737 2.445 1.00 93.87 17 A 1 ATOM 133 C CA . PHE A 1 17 ? 4.822 -2.120 2.438 1.00 93.63 17 A 1 ATOM 134 C C . PHE A 1 17 ? 5.496 -2.502 1.112 1.00 94.33 17 A 1 ATOM 135 O O . PHE A 1 17 ? 6.467 -3.253 1.121 1.00 92.96 17 A 1 ATOM 136 C CB . PHE A 1 17 ? 3.641 -3.045 2.747 1.00 93.41 17 A 1 ATOM 137 C CG . PHE A 1 17 ? 4.029 -4.503 2.800 1.00 91.82 17 A 1 ATOM 138 C CD1 . PHE A 1 17 ? 3.837 -5.332 1.683 1.00 86.68 17 A 1 ATOM 139 C CD2 . PHE A 1 17 ? 4.625 -5.024 3.959 1.00 88.31 17 A 1 ATOM 140 C CE1 . PHE A 1 17 ? 4.237 -6.676 1.720 1.00 86.18 17 A 1 ATOM 141 C CE2 . PHE A 1 17 ? 5.030 -6.367 3.999 1.00 87.07 17 A 1 ATOM 142 C CZ . PHE A 1 17 ? 4.835 -7.193 2.879 1.00 86.20 17 A 1 ATOM 143 N N . LEU A 1 18 ? 5.009 -1.977 -0.019 1.00 94.93 18 A 1 ATOM 144 C CA . LEU A 1 18 ? 5.594 -2.233 -1.335 1.00 94.56 18 A 1 ATOM 145 C C . LEU A 1 18 ? 6.846 -1.386 -1.591 1.00 94.65 18 A 1 ATOM 146 O O . LEU A 1 18 ? 7.808 -1.888 -2.164 1.00 93.25 18 A 1 ATOM 147 C CB . LEU A 1 18 ? 4.528 -1.978 -2.412 1.00 94.22 18 A 1 ATOM 148 C CG . LEU A 1 18 ? 3.367 -2.987 -2.397 1.00 91.48 18 A 1 ATOM 149 C CD1 . LEU A 1 18 ? 2.275 -2.529 -3.364 1.00 85.52 18 A 1 ATOM 150 C CD2 . LEU A 1 18 ? 3.818 -4.390 -2.811 1.00 86.42 18 A 1 ATOM 151 N N . LEU A 1 19 ? 6.861 -0.123 -1.160 1.00 93.63 19 A 1 ATOM 152 C CA . LEU A 1 19 ? 7.980 0.793 -1.401 1.00 93.27 19 A 1 ATOM 153 C C . LEU A 1 19 ? 9.148 0.591 -0.437 1.00 93.20 19 A 1 ATOM 154 O O . LEU A 1 19 ? 10.291 0.773 -0.841 1.00 91.64 19 A 1 ATOM 155 C CB . LEU A 1 19 ? 7.494 2.243 -1.304 1.00 92.32 19 A 1 ATOM 156 C CG . LEU A 1 19 ? 6.619 2.727 -2.466 1.00 86.48 19 A 1 ATOM 157 C CD1 . LEU A 1 19 ? 6.304 4.204 -2.192 1.00 80.66 19 A 1 ATOM 158 C CD2 . LEU A 1 19 ? 7.322 2.634 -3.820 1.00 81.04 19 A 1 ATOM 159 N N . LEU A 1 20 ? 8.901 0.219 0.821 1.00 91.36 20 A 1 ATOM 160 C CA . LEU A 1 20 ? 9.972 0.006 1.800 1.00 90.92 20 A 1 ATOM 161 C C . LEU A 1 20 ? 11.053 -0.959 1.294 1.00 91.19 20 A 1 ATOM 162 O O . LEU A 1 20 ? 12.225 -0.596 1.348 1.00 90.95 20 A 1 ATOM 163 C CB . LEU A 1 20 ? 9.417 -0.472 3.156 1.00 88.94 20 A 1 ATOM 164 C CG . LEU A 1 20 ? 9.501 0.591 4.265 1.00 81.21 20 A 1 ATOM 165 C CD1 . LEU A 1 20 ? 8.314 1.553 4.219 1.00 76.47 20 A 1 ATOM 166 C CD2 . LEU A 1 20 ? 9.496 -0.096 5.631 1.00 75.70 20 A 1 ATOM 167 N N . PRO A 1 21 ? 10.709 -2.166 0.802 1.00 90.11 21 A 1 ATOM 168 C CA . PRO A 1 21 ? 11.727 -3.095 0.316 1.00 89.85 21 A 1 ATOM 169 C C . PRO A 1 21 ? 12.449 -2.560 -0.924 1.00 90.03 21 A 1 ATOM 170 O O . PRO A 1 21 ? 13.652 -2.764 -1.044 1.00 86.68 21 A 1 ATOM 171 C CB . PRO A 1 21 ? 10.982 -4.404 0.039 1.00 87.98 21 A 1 ATOM 172 C CG . PRO A 1 21 ? 9.542 -3.978 -0.199 1.00 87.73 21 A 1 ATOM 173 C CD . PRO A 1 21 ? 9.396 -2.779 0.732 1.00 89.98 21 A 1 ATOM 174 N N . GLU A 1 22 ? 11.776 -1.841 -1.813 1.00 88.49 22 A 1 ATOM 175 C CA . GLU A 1 22 ? 12.385 -1.254 -3.009 1.00 88.03 22 A 1 ATOM 176 C C . GLU A 1 22 ? 13.406 -0.164 -2.653 1.00 88.27 22 A 1 ATOM 177 O O . GLU A 1 22 ? 14.512 -0.156 -3.190 1.00 85.24 22 A 1 ATOM 178 C CB . GLU A 1 22 ? 11.260 -0.733 -3.916 1.00 85.94 22 A 1 ATOM 179 C CG . GLU A 1 22 ? 11.757 -0.371 -5.318 1.00 77.17 22 A 1 ATOM 180 C CD . GLU A 1 22 ? 10.616 -0.016 -6.290 1.00 72.07 22 A 1 ATOM 181 O OE1 . GLU A 1 22 ? 10.931 0.333 -7.449 1.00 65.49 22 A 1 ATOM 182 O OE2 . GLU A 1 22 ? 9.429 -0.097 -5.899 1.00 65.48 22 A 1 ATOM 183 N N . ILE A 1 23 ? 13.084 0.692 -1.678 1.00 90.19 23 A 1 ATOM 184 C CA . ILE A 1 23 ? 13.989 1.748 -1.196 1.00 90.36 23 A 1 ATOM 185 C C . ILE A 1 23 ? 15.186 1.153 -0.443 1.00 90.45 23 A 1 ATOM 186 O O . ILE A 1 23 ? 16.296 1.654 -0.569 1.00 88.75 23 A 1 ATOM 187 C CB . ILE A 1 23 ? 13.213 2.755 -0.320 1.00 89.23 23 A 1 ATOM 188 C CG1 . ILE A 1 23 ? 12.147 3.500 -1.160 1.00 82.72 23 A 1 ATOM 189 C CG2 . ILE A 1 23 ? 14.160 3.781 0.336 1.00 78.83 23 A 1 ATOM 190 C CD1 . ILE A 1 23 ? 11.114 4.252 -0.312 1.00 74.85 23 A 1 ATOM 191 N N . ILE A 1 24 ? 14.986 0.083 0.329 1.00 90.51 24 A 1 ATOM 192 C CA . ILE A 1 24 ? 16.062 -0.560 1.105 1.00 90.07 24 A 1 ATOM 193 C C . ILE A 1 24 ? 17.049 -1.299 0.188 1.00 89.03 24 A 1 ATOM 194 O O . ILE A 1 24 ? 18.229 -1.397 0.512 1.00 88.52 24 A 1 ATOM 195 C CB . ILE A 1 24 ? 15.454 -1.490 2.175 1.00 89.78 24 A 1 ATOM 196 C CG1 . ILE A 1 24 ? 14.720 -0.659 3.254 1.00 84.66 24 A 1 ATOM 197 C CG2 . ILE A 1 24 ? 16.518 -2.371 2.857 1.00 80.41 24 A 1 ATOM 198 C CD1 . ILE A 1 24 ? 13.780 -1.491 4.141 1.00 75.23 24 A 1 ATOM 199 N N . ILE A 1 25 ? 16.574 -1.839 -0.939 1.00 90.44 25 A 1 ATOM 200 C CA . ILE A 1 25 ? 17.395 -2.602 -1.887 1.00 89.88 25 A 1 ATOM 201 C C . ILE A 1 25 ? 18.118 -1.674 -2.881 1.00 88.24 25 A 1 ATOM 202 O O . ILE A 1 25 ? 19.138 -2.073 -3.441 1.00 86.68 25 A 1 ATOM 203 C CB . ILE A 1 25 ? 16.519 -3.673 -2.578 1.00 89.19 25 A 1 ATOM 204 C CG1 . ILE A 1 25 ? 16.026 -4.716 -1.549 1.00 84.91 25 A 1 ATOM 205 C CG2 . ILE A 1 25 ? 17.269 -4.406 -3.706 1.00 79.67 25 A 1 ATOM 206 C CD1 . ILE A 1 25 ? 14.865 -5.592 -2.054 1.00 74.85 25 A 1 ATOM 207 N N . SER A 1 26 ? 17.618 -0.452 -3.087 1.00 84.51 26 A 1 ATOM 208 C CA . SER A 1 26 ? 18.221 0.545 -3.989 1.00 82.97 26 A 1 ATOM 209 C C . SER A 1 26 ? 19.410 1.275 -3.369 1.00 77.73 26 A 1 ATOM 210 O O . SER A 1 26 ? 20.364 1.556 -4.127 1.00 73.88 26 A 1 ATOM 211 C CB . SER A 1 26 ? 17.171 1.557 -4.434 1.00 78.27 26 A 1 ATOM 212 O OG . SER A 1 26 ? 17.776 2.416 -5.397 1.00 71.38 26 A 1 ATOM 213 O OXT . SER A 1 26 ? 19.339 1.596 -2.174 1.00 71.60 26 A 1 #