# 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_spkb16882 # _entry.id spkb16882 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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" "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 ILE 2 1 n VAL 3 1 n THR 4 1 n GLY 5 1 n ASN 6 1 n PRO 7 1 n VAL 8 1 n CYS 9 1 n ALA 10 1 n ILE 11 1 n ALA 12 1 n LEU 13 1 n LEU 14 1 n LEU 15 1 n CYS 16 1 n LEU 17 1 n VAL 18 1 n PHE 19 1 n ARG 20 1 n ALA 21 1 n SER 22 1 n GLY 23 # _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 06:06:52)" _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 92.12 _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 79.35 1 1 A ILE 2 2 76.16 1 2 A VAL 3 2 82.34 1 3 A THR 4 2 84.65 1 4 A GLY 5 2 90.24 1 5 A ASN 6 2 90.91 1 6 A PRO 7 2 95.13 1 7 A VAL 8 2 96.00 1 8 A CYS 9 2 95.06 1 9 A ALA 10 2 96.91 1 10 A ILE 11 2 96.31 1 11 A ALA 12 2 97.85 1 12 A LEU 13 2 95.57 1 13 A LEU 14 2 96.20 1 14 A LEU 15 2 96.55 1 15 A CYS 16 2 96.82 1 16 A LEU 17 2 96.69 1 17 A VAL 18 2 97.62 1 18 A PHE 19 2 95.61 1 19 A ARG 20 2 90.23 1 20 A ALA 21 2 97.80 1 21 A SER 22 2 92.94 1 22 A GLY 23 2 85.29 1 23 # _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 VAL . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n ASN . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n CYS . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n ARG . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n GLY . 23 A 23 # _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 ? -9.991 16.563 10.089 1.00 85.84 1 A 1 ATOM 2 C CA . MET A 1 1 ? -8.859 16.752 11.015 1.00 86.68 1 A 1 ATOM 3 C C . MET A 1 1 ? -7.630 15.942 10.572 1.00 86.98 1 A 1 ATOM 4 O O . MET A 1 1 ? -6.919 15.395 11.396 1.00 82.56 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.318 16.407 12.436 1.00 81.87 1 A 1 ATOM 6 C CG . MET A 1 1 ? -8.491 17.090 13.518 1.00 75.45 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.184 16.777 15.155 1.00 71.56 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.224 17.929 16.141 1.00 63.89 1 A 1 ATOM 9 N N . ILE A 1 2 ? -7.403 15.840 9.268 1.00 78.77 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -6.243 15.137 8.726 1.00 80.54 2 A 1 ATOM 11 C C . ILE A 1 2 ? -5.370 16.154 8.010 1.00 81.39 2 A 1 ATOM 12 O O . ILE A 1 2 ? -5.800 16.797 7.054 1.00 78.78 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -6.677 13.942 7.868 1.00 77.42 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -5.516 12.972 7.655 1.00 73.30 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -7.324 14.364 6.535 1.00 72.68 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -5.967 11.566 7.266 1.00 66.41 2 A 1 ATOM 17 N N . VAL A 1 3 ? -4.169 16.345 8.522 1.00 85.32 3 A 1 ATOM 18 C CA . VAL A 1 3 ? -3.162 17.166 7.854 1.00 85.64 3 A 1 ATOM 19 C C . VAL A 1 3 ? -2.819 16.449 6.563 1.00 87.11 3 A 1 ATOM 20 O O . VAL A 1 3 ? -2.398 15.299 6.628 1.00 85.70 3 A 1 ATOM 21 C CB . VAL A 1 3 ? -1.926 17.342 8.742 1.00 82.21 3 A 1 ATOM 22 C CG1 . VAL A 1 3 ? -0.833 18.131 8.034 1.00 73.67 3 A 1 ATOM 23 C CG2 . VAL A 1 3 ? -2.293 18.068 10.032 1.00 76.72 3 A 1 ATOM 24 N N . THR A 1 4 ? -3.065 17.084 5.436 1.00 87.91 4 A 1 ATOM 25 C CA . THR A 1 4 ? -2.744 16.665 4.060 1.00 88.82 4 A 1 ATOM 26 C C . THR A 1 4 ? -1.937 15.363 4.014 1.00 89.82 4 A 1 ATOM 27 O O . THR A 1 4 ? -0.720 15.362 3.894 1.00 87.48 4 A 1 ATOM 28 C CB . THR A 1 4 ? -2.079 17.840 3.315 1.00 86.38 4 A 1 ATOM 29 O OG1 . THR A 1 4 ? -2.028 17.555 1.930 1.00 77.26 4 A 1 ATOM 30 C CG2 . THR A 1 4 ? -0.676 18.204 3.787 1.00 74.87 4 A 1 ATOM 31 N N . GLY A 1 5 ? -2.628 14.252 4.212 1.00 89.70 5 A 1 ATOM 32 C CA . GLY A 1 5 ? -1.982 12.958 4.337 1.00 89.95 5 A 1 ATOM 33 C C . GLY A 1 5 ? -1.121 12.710 3.113 1.00 91.77 5 A 1 ATOM 34 O O . GLY A 1 5 ? -1.588 12.865 1.990 1.00 89.54 5 A 1 ATOM 35 N N . ASN A 1 6 ? 0.121 12.362 3.313 1.00 94.04 6 A 1 ATOM 36 C CA . ASN A 1 6 ? 1.024 12.106 2.203 1.00 95.01 6 A 1 ATOM 37 C C . ASN A 1 6 ? 0.534 10.863 1.446 1.00 95.88 6 A 1 ATOM 38 O O . ASN A 1 6 ? 0.690 9.756 1.964 1.00 95.34 6 A 1 ATOM 39 C CB . ASN A 1 6 ? 2.449 11.961 2.737 1.00 93.49 6 A 1 ATOM 40 C CG . ASN A 1 6 ? 3.455 11.830 1.611 1.00 88.43 6 A 1 ATOM 41 O OD1 . ASN A 1 6 ? 3.124 11.761 0.444 1.00 83.32 6 A 1 ATOM 42 N ND2 . ASN A 1 6 ? 4.725 11.805 1.943 1.00 81.81 6 A 1 ATOM 43 N N . PRO A 1 7 ? -0.057 11.007 0.253 1.00 95.65 7 A 1 ATOM 44 C CA . PRO A 1 7 ? -0.635 9.878 -0.473 1.00 96.08 7 A 1 ATOM 45 C C . PRO A 1 7 ? 0.430 8.864 -0.880 1.00 96.89 7 A 1 ATOM 46 O O . PRO A 1 7 ? 0.125 7.689 -1.053 1.00 96.15 7 A 1 ATOM 47 C CB . PRO A 1 7 ? -1.330 10.510 -1.685 1.00 94.55 7 A 1 ATOM 48 C CG . PRO A 1 7 ? -0.572 11.800 -1.918 1.00 91.90 7 A 1 ATOM 49 C CD . PRO A 1 7 ? -0.172 12.237 -0.517 1.00 94.69 7 A 1 ATOM 50 N N . VAL A 1 8 ? 1.673 9.292 -0.980 1.00 96.93 8 A 1 ATOM 51 C CA . VAL A 1 8 ? 2.809 8.423 -1.299 1.00 97.16 8 A 1 ATOM 52 C C . VAL A 1 8 ? 2.996 7.356 -0.223 1.00 97.49 8 A 1 ATOM 53 O O . VAL A 1 8 ? 3.251 6.197 -0.547 1.00 97.12 8 A 1 ATOM 54 C CB . VAL A 1 8 ? 4.090 9.248 -1.472 1.00 96.58 8 A 1 ATOM 55 C CG1 . VAL A 1 8 ? 5.269 8.370 -1.859 1.00 93.09 8 A 1 ATOM 56 C CG2 . VAL A 1 8 ? 3.912 10.317 -2.548 1.00 93.65 8 A 1 ATOM 57 N N . CYS A 1 9 ? 2.813 7.708 1.045 1.00 96.45 9 A 1 ATOM 58 C CA . CYS A 1 9 ? 2.904 6.749 2.144 1.00 96.52 9 A 1 ATOM 59 C C . CYS A 1 9 ? 1.782 5.712 2.084 1.00 96.99 9 A 1 ATOM 60 O O . CYS A 1 9 ? 2.026 4.541 2.348 1.00 96.47 9 A 1 ATOM 61 C CB . CYS A 1 9 ? 2.876 7.484 3.485 1.00 95.44 9 A 1 ATOM 62 S SG . CYS A 1 9 ? 4.453 8.314 3.789 1.00 88.50 9 A 1 ATOM 63 N N . ALA A 1 10 ? 0.570 6.123 1.706 1.00 96.64 10 A 1 ATOM 64 C CA . ALA A 1 10 ? -0.552 5.201 1.565 1.00 96.85 10 A 1 ATOM 65 C C . ALA A 1 10 ? -0.317 4.202 0.423 1.00 97.60 10 A 1 ATOM 66 O O . ALA A 1 10 ? -0.547 3.006 0.596 1.00 97.39 10 A 1 ATOM 67 C CB . ALA A 1 10 ? -1.833 6.012 1.358 1.00 96.07 10 A 1 ATOM 68 N N . ILE A 1 11 ? 0.187 4.672 -0.712 1.00 97.42 11 A 1 ATOM 69 C CA . ILE A 1 11 ? 0.523 3.819 -1.858 1.00 97.45 11 A 1 ATOM 70 C C . ILE A 1 11 ? 1.657 2.860 -1.495 1.00 97.89 11 A 1 ATOM 71 O O . ILE A 1 11 ? 1.569 1.664 -1.782 1.00 97.73 11 A 1 ATOM 72 C CB . ILE A 1 11 ? 0.880 4.684 -3.076 1.00 97.16 11 A 1 ATOM 73 C CG1 . ILE A 1 11 ? -0.342 5.492 -3.552 1.00 95.29 11 A 1 ATOM 74 C CG2 . ILE A 1 11 ? 1.397 3.812 -4.231 1.00 95.45 11 A 1 ATOM 75 C CD1 . ILE A 1 11 ? 0.013 6.649 -4.477 1.00 92.11 11 A 1 ATOM 76 N N . ALA A 1 12 ? 2.690 3.355 -0.846 1.00 97.93 12 A 1 ATOM 77 C CA . ALA A 1 12 ? 3.809 2.528 -0.407 1.00 97.91 12 A 1 ATOM 78 C C . ALA A 1 12 ? 3.355 1.438 0.570 1.00 98.18 12 A 1 ATOM 79 O O . ALA A 1 12 ? 3.767 0.289 0.438 1.00 97.73 12 A 1 ATOM 80 C CB . ALA A 1 12 ? 4.873 3.426 0.223 1.00 97.49 12 A 1 ATOM 81 N N . LEU A 1 13 ? 2.475 1.778 1.505 1.00 97.81 13 A 1 ATOM 82 C CA . LEU A 1 13 ? 1.922 0.813 2.453 1.00 97.60 13 A 1 ATOM 83 C C . LEU A 1 13 ? 1.103 -0.262 1.737 1.00 98.04 13 A 1 ATOM 84 O O . LEU A 1 13 ? 1.235 -1.446 2.042 1.00 97.81 13 A 1 ATOM 85 C CB . LEU A 1 13 ? 1.059 1.555 3.481 1.00 97.20 13 A 1 ATOM 86 C CG . LEU A 1 13 ? 0.838 0.729 4.751 1.00 92.75 13 A 1 ATOM 87 C CD1 . LEU A 1 13 ? 1.845 1.136 5.831 1.00 91.60 13 A 1 ATOM 88 C CD2 . LEU A 1 13 ? -0.568 0.933 5.295 1.00 91.74 13 A 1 ATOM 89 N N . LEU A 1 14 ? 0.280 0.137 0.765 1.00 97.96 14 A 1 ATOM 90 C CA . LEU A 1 14 ? -0.516 -0.793 -0.034 1.00 97.98 14 A 1 ATOM 91 C C . LEU A 1 14 ? 0.378 -1.750 -0.820 1.00 98.30 14 A 1 ATOM 92 O O . LEU A 1 14 ? 0.144 -2.958 -0.819 1.00 98.13 14 A 1 ATOM 93 C CB . LEU A 1 14 ? -1.428 0.007 -0.975 1.00 97.71 14 A 1 ATOM 94 C CG . LEU A 1 14 ? -2.638 -0.808 -1.444 1.00 93.25 14 A 1 ATOM 95 C CD1 . LEU A 1 14 ? -3.792 -0.681 -0.445 1.00 92.90 14 A 1 ATOM 96 C CD2 . LEU A 1 14 ? -3.116 -0.322 -2.805 1.00 93.38 14 A 1 ATOM 97 N N . LEU A 1 15 ? 1.419 -1.229 -1.456 1.00 98.18 15 A 1 ATOM 98 C CA . LEU A 1 15 ? 2.393 -2.042 -2.182 1.00 98.05 15 A 1 ATOM 99 C C . LEU A 1 15 ? 3.110 -3.018 -1.252 1.00 98.28 15 A 1 ATOM 100 O O . LEU A 1 15 ? 3.239 -4.192 -1.592 1.00 97.96 15 A 1 ATOM 101 C CB . LEU A 1 15 ? 3.398 -1.122 -2.883 1.00 97.69 15 A 1 ATOM 102 C CG . LEU A 1 15 ? 2.854 -0.476 -4.161 1.00 94.71 15 A 1 ATOM 103 C CD1 . LEU A 1 15 ? 3.785 0.647 -4.609 1.00 93.78 15 A 1 ATOM 104 C CD2 . LEU A 1 15 ? 2.745 -1.494 -5.295 1.00 93.78 15 A 1 ATOM 105 N N . CYS A 1 16 ? 3.517 -2.579 -0.072 1.00 98.11 16 A 1 ATOM 106 C CA . CYS A 1 16 ? 4.140 -3.453 0.919 1.00 97.95 16 A 1 ATOM 107 C C . CYS A 1 16 ? 3.204 -4.586 1.352 1.00 98.06 16 A 1 ATOM 108 O O . CYS A 1 16 ? 3.642 -5.724 1.483 1.00 97.25 16 A 1 ATOM 109 C CB . CYS A 1 16 ? 4.566 -2.629 2.138 1.00 97.28 16 A 1 ATOM 110 S SG . CYS A 1 16 ? 6.023 -1.629 1.777 1.00 92.27 16 A 1 ATOM 111 N N . LEU A 1 17 ? 1.921 -4.293 1.545 1.00 98.23 17 A 1 ATOM 112 C CA . LEU A 1 17 ? 0.926 -5.302 1.902 1.00 98.17 17 A 1 ATOM 113 C C . LEU A 1 17 ? 0.727 -6.314 0.775 1.00 98.39 17 A 1 ATOM 114 O O . LEU A 1 17 ? 0.729 -7.517 1.030 1.00 98.06 17 A 1 ATOM 115 C CB . LEU A 1 17 ? -0.401 -4.606 2.245 1.00 97.92 17 A 1 ATOM 116 C CG . LEU A 1 17 ? -0.439 -4.037 3.666 1.00 95.43 17 A 1 ATOM 117 C CD1 . LEU A 1 17 ? -1.586 -3.037 3.798 1.00 93.64 17 A 1 ATOM 118 C CD2 . LEU A 1 17 ? -0.644 -5.146 4.695 1.00 93.65 17 A 1 ATOM 119 N N . VAL A 1 18 ? 0.593 -5.849 -0.467 1.00 98.52 18 A 1 ATOM 120 C CA . VAL A 1 18 ? 0.439 -6.727 -1.635 1.00 98.45 18 A 1 ATOM 121 C C . VAL A 1 18 ? 1.684 -7.590 -1.824 1.00 98.45 18 A 1 ATOM 122 O O . VAL A 1 18 ? 1.571 -8.799 -2.021 1.00 98.01 18 A 1 ATOM 123 C CB . VAL A 1 18 ? 0.137 -5.901 -2.895 1.00 98.09 18 A 1 ATOM 124 C CG1 . VAL A 1 18 ? 0.144 -6.752 -4.162 1.00 95.97 18 A 1 ATOM 125 C CG2 . VAL A 1 18 ? -1.238 -5.242 -2.786 1.00 95.82 18 A 1 ATOM 126 N N . PHE A 1 19 ? 2.857 -6.998 -1.709 1.00 98.46 19 A 1 ATOM 127 C CA . PHE A 1 19 ? 4.118 -7.718 -1.849 1.00 98.39 19 A 1 ATOM 128 C C . PHE A 1 19 ? 4.277 -8.776 -0.758 1.00 98.40 19 A 1 ATOM 129 O O . PHE A 1 19 ? 4.672 -9.905 -1.036 1.00 97.90 19 A 1 ATOM 130 C CB . PHE A 1 19 ? 5.272 -6.715 -1.826 1.00 98.19 19 A 1 ATOM 131 C CG . PHE A 1 19 ? 6.398 -7.112 -2.742 1.00 96.24 19 A 1 ATOM 132 C CD1 . PHE A 1 19 ? 6.324 -6.806 -4.107 1.00 93.62 19 A 1 ATOM 133 C CD2 . PHE A 1 19 ? 7.509 -7.792 -2.247 1.00 93.49 19 A 1 ATOM 134 C CE1 . PHE A 1 19 ? 7.355 -7.177 -4.970 1.00 92.56 19 A 1 ATOM 135 C CE2 . PHE A 1 19 ? 8.546 -8.169 -3.110 1.00 92.38 19 A 1 ATOM 136 C CZ . PHE A 1 19 ? 8.467 -7.862 -4.472 1.00 92.10 19 A 1 ATOM 137 N N . ARG A 1 20 ? 3.909 -8.437 0.464 1.00 98.25 20 A 1 ATOM 138 C CA . ARG A 1 20 ? 3.948 -9.374 1.592 1.00 97.95 20 A 1 ATOM 139 C C . ARG A 1 20 ? 2.909 -10.483 1.457 1.00 97.98 20 A 1 ATOM 140 O O . ARG A 1 20 ? 3.163 -11.602 1.896 1.00 96.87 20 A 1 ATOM 141 C CB . ARG A 1 20 ? 3.764 -8.584 2.889 1.00 97.24 20 A 1 ATOM 142 C CG . ARG A 1 20 ? 3.961 -9.453 4.119 1.00 90.95 20 A 1 ATOM 143 C CD . ARG A 1 20 ? 3.873 -8.596 5.366 1.00 89.43 20 A 1 ATOM 144 N NE . ARG A 1 20 ? 3.968 -9.444 6.569 1.00 85.50 20 A 1 ATOM 145 C CZ . ARG A 1 20 ? 3.986 -8.990 7.804 1.00 83.59 20 A 1 ATOM 146 N NH1 . ARG A 1 20 ? 3.928 -7.715 8.075 1.00 76.49 20 A 1 ATOM 147 N NH2 . ARG A 1 20 ? 4.053 -9.833 8.796 1.00 78.30 20 A 1 ATOM 148 N N . ALA A 1 21 ? 1.747 -10.190 0.868 1.00 98.22 21 A 1 ATOM 149 C CA . ALA A 1 21 ? 0.707 -11.191 0.638 1.00 98.07 21 A 1 ATOM 150 C C . ALA A 1 21 ? 1.033 -12.102 -0.555 1.00 98.05 21 A 1 ATOM 151 O O . ALA A 1 21 ? 0.586 -13.248 -0.583 1.00 97.13 21 A 1 ATOM 152 C CB . ALA A 1 21 ? -0.629 -10.473 0.436 1.00 97.53 21 A 1 ATOM 153 N N . SER A 1 22 ? 1.793 -11.609 -1.526 1.00 97.81 22 A 1 ATOM 154 C CA . SER A 1 22 ? 2.184 -12.367 -2.723 1.00 97.07 22 A 1 ATOM 155 C C . SER A 1 22 ? 3.488 -13.144 -2.547 1.00 95.51 22 A 1 ATOM 156 O O . SER A 1 22 ? 3.770 -14.037 -3.344 1.00 89.16 22 A 1 ATOM 157 C CB . SER A 1 22 ? 2.318 -11.427 -3.926 1.00 95.30 22 A 1 ATOM 158 O OG . SER A 1 22 ? 1.096 -10.765 -4.183 1.00 82.76 22 A 1 ATOM 159 N N . GLY A 1 23 ? 4.271 -12.787 -1.553 1.00 94.36 23 A 1 ATOM 160 C CA . GLY A 1 23 ? 5.556 -13.414 -1.262 1.00 89.45 23 A 1 ATOM 161 C C . GLY A 1 23 ? 5.479 -14.458 -0.164 1.00 83.97 23 A 1 ATOM 162 O O . GLY A 1 23 ? 4.462 -14.515 0.556 1.00 76.09 23 A 1 ATOM 163 O OXT . GLY A 1 23 ? 6.478 -15.226 -0.021 1.00 82.56 23 A 1 #