# 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_spkb36354 # _entry.id spkb36354 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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 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" "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" "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 GLU 2 1 n ARG 3 1 n ARG 4 1 n ARG 5 1 n GLY 6 1 n THR 7 1 n VAL 8 1 n PRO 9 1 n LEU 10 1 n GLY 11 1 n TRP 12 1 n VAL 13 1 n PHE 14 1 n PHE 15 1 n VAL 16 1 n LEU 17 1 n CYS 18 1 n LEU 19 1 n SER 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 07:19:03)" _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 86.61 _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 77.77 1 1 A GLU 2 2 71.13 1 2 A ARG 3 2 73.55 1 3 A ARG 4 2 72.40 1 4 A ARG 5 2 72.06 1 5 A GLY 6 2 85.72 1 6 A THR 7 2 84.10 1 7 A VAL 8 2 87.71 1 8 A PRO 9 2 90.85 1 9 A LEU 10 2 91.34 1 10 A GLY 11 2 95.66 1 11 A TRP 12 2 90.61 1 12 A VAL 13 2 93.79 1 13 A PHE 14 2 92.90 1 14 A PHE 15 2 94.06 1 15 A VAL 16 2 94.97 1 16 A LEU 17 2 94.54 1 17 A CYS 18 2 97.14 1 18 A LEU 19 2 94.79 1 19 A SER 20 2 94.60 1 20 A ALA 21 2 90.60 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 GLU . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n TRP . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n CYS . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n SER . 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 ? -19.320 -0.252 10.451 1.00 82.73 1 A 1 ATOM 2 C CA . MET A 1 1 ? -18.728 0.203 9.178 1.00 85.03 1 A 1 ATOM 3 C C . MET A 1 1 ? -17.250 -0.173 9.093 1.00 85.74 1 A 1 ATOM 4 O O . MET A 1 1 ? -16.521 -0.050 10.072 1.00 80.40 1 A 1 ATOM 5 C CB . MET A 1 1 ? -18.882 1.708 9.017 1.00 80.12 1 A 1 ATOM 6 C CG . MET A 1 1 ? -18.777 2.487 10.317 1.00 76.32 1 A 1 ATOM 7 S SD . MET A 1 1 ? -19.309 4.175 10.116 1.00 70.38 1 A 1 ATOM 8 C CE . MET A 1 1 ? -19.731 4.575 11.796 1.00 61.46 1 A 1 ATOM 9 N N . GLU A 1 2 ? -16.829 -0.629 7.921 1.00 80.70 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -15.444 -1.039 7.698 1.00 81.19 2 A 1 ATOM 11 C C . GLU A 1 2 ? -14.591 0.107 7.155 1.00 81.67 2 A 1 ATOM 12 O O . GLU A 1 2 ? -15.076 0.937 6.384 1.00 77.04 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -15.405 -2.208 6.714 1.00 76.88 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -16.061 -3.470 7.248 1.00 66.78 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -15.128 -4.269 8.132 1.00 62.64 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -13.914 -4.034 8.059 1.00 55.74 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -15.618 -5.119 8.878 1.00 57.52 2 A 1 ATOM 18 N N . ARG A 1 3 ? -13.314 0.151 7.545 1.00 87.22 3 A 1 ATOM 19 C CA . ARG A 1 3 ? -12.384 1.179 7.073 1.00 88.47 3 A 1 ATOM 20 C C . ARG A 1 3 ? -10.941 0.686 7.136 1.00 89.50 3 A 1 ATOM 21 O O . ARG A 1 3 ? -10.576 -0.078 8.022 1.00 85.72 3 A 1 ATOM 22 C CB . ARG A 1 3 ? -12.522 2.462 7.898 1.00 84.65 3 A 1 ATOM 23 C CG . ARG A 1 3 ? -13.572 3.423 7.372 1.00 73.10 3 A 1 ATOM 24 C CD . ARG A 1 3 ? -13.539 4.746 8.115 1.00 70.58 3 A 1 ATOM 25 N NE . ARG A 1 3 ? -12.345 5.517 7.819 1.00 63.46 3 A 1 ATOM 26 C CZ . ARG A 1 3 ? -12.034 6.666 8.419 1.00 58.17 3 A 1 ATOM 27 N NH1 . ARG A 1 3 ? -12.813 7.179 9.355 1.00 55.68 3 A 1 ATOM 28 N NH2 . ARG A 1 3 ? -10.926 7.305 8.083 1.00 52.45 3 A 1 ATOM 29 N N . ARG A 1 4 ? -10.120 1.154 6.202 1.00 85.54 4 A 1 ATOM 30 C CA . ARG A 1 4 ? -8.705 0.800 6.162 1.00 87.53 4 A 1 ATOM 31 C C . ARG A 1 4 ? -7.887 1.880 6.874 1.00 88.41 4 A 1 ATOM 32 O O . ARG A 1 4 ? -7.693 2.961 6.323 1.00 83.81 4 A 1 ATOM 33 C CB . ARG A 1 4 ? -8.227 0.654 4.723 1.00 84.30 4 A 1 ATOM 34 C CG . ARG A 1 4 ? -9.066 -0.313 3.899 1.00 72.46 4 A 1 ATOM 35 C CD . ARG A 1 4 ? -8.676 -1.748 4.191 1.00 70.32 4 A 1 ATOM 36 N NE . ARG A 1 4 ? -9.569 -2.696 3.522 1.00 62.83 4 A 1 ATOM 37 C CZ . ARG A 1 4 ? -9.387 -4.007 3.528 1.00 56.67 4 A 1 ATOM 38 N NH1 . ARG A 1 4 ? -8.360 -4.548 4.155 1.00 53.83 4 A 1 ATOM 39 N NH2 . ARG A 1 4 ? -10.244 -4.791 2.908 1.00 50.72 4 A 1 ATOM 40 N N . ARG A 1 5 ? -7.419 1.583 8.077 1.00 86.15 5 A 1 ATOM 41 C CA . ARG A 1 5 ? -6.662 2.560 8.862 1.00 88.08 5 A 1 ATOM 42 C C . ARG A 1 5 ? -5.167 2.534 8.540 1.00 89.68 5 A 1 ATOM 43 O O . ARG A 1 5 ? -4.680 3.358 7.771 1.00 85.01 5 A 1 ATOM 44 C CB . ARG A 1 5 ? -6.913 2.323 10.352 1.00 83.89 5 A 1 ATOM 45 C CG . ARG A 1 5 ? -8.279 2.788 10.794 1.00 70.93 5 A 1 ATOM 46 C CD . ARG A 1 5 ? -8.430 2.670 12.301 1.00 68.32 5 A 1 ATOM 47 N NE . ARG A 1 5 ? -8.627 1.287 12.723 1.00 61.66 5 A 1 ATOM 48 C CZ . ARG A 1 5 ? -9.796 0.678 12.735 1.00 56.15 5 A 1 ATOM 49 N NH1 . ARG A 1 5 ? -10.895 1.298 12.333 1.00 52.49 5 A 1 ATOM 50 N NH2 . ARG A 1 5 ? -9.876 -0.575 13.133 1.00 50.29 5 A 1 ATOM 51 N N . GLY A 1 6 ? -4.427 1.592 9.139 1.00 85.05 6 A 1 ATOM 52 C CA . GLY A 1 6 ? -2.985 1.503 8.929 1.00 85.86 6 A 1 ATOM 53 C C . GLY A 1 6 ? -2.577 0.495 7.873 1.00 88.08 6 A 1 ATOM 54 O O . GLY A 1 6 ? -1.452 0.010 7.876 1.00 83.90 6 A 1 ATOM 55 N N . THR A 1 7 ? -3.502 0.185 6.975 1.00 88.28 7 A 1 ATOM 56 C CA . THR A 1 7 ? -3.234 -0.791 5.924 1.00 89.49 7 A 1 ATOM 57 C C . THR A 1 7 ? -2.998 -0.103 4.581 1.00 91.42 7 A 1 ATOM 58 O O . THR A 1 7 ? -3.921 0.464 3.995 1.00 87.55 7 A 1 ATOM 59 C CB . THR A 1 7 ? -4.390 -1.791 5.785 1.00 85.86 7 A 1 ATOM 60 O OG1 . THR A 1 7 ? -5.634 -1.105 5.807 1.00 74.14 7 A 1 ATOM 61 C CG2 . THR A 1 7 ? -4.353 -2.817 6.888 1.00 71.94 7 A 1 ATOM 62 N N . VAL A 1 8 ? -1.766 -0.136 4.106 1.00 89.38 8 A 1 ATOM 63 C CA . VAL A 1 8 ? -1.394 0.470 2.829 1.00 91.14 8 A 1 ATOM 64 C C . VAL A 1 8 ? -0.870 -0.588 1.860 1.00 92.64 8 A 1 ATOM 65 O O . VAL A 1 8 ? -0.286 -1.582 2.289 1.00 90.76 8 A 1 ATOM 66 C CB . VAL A 1 8 ? -0.326 1.561 3.020 1.00 88.96 8 A 1 ATOM 67 C CG1 . VAL A 1 8 ? -0.906 2.762 3.735 1.00 79.78 8 A 1 ATOM 68 C CG2 . VAL A 1 8 ? 0.870 1.020 3.771 1.00 81.29 8 A 1 ATOM 69 N N . PRO A 1 9 ? -1.068 -0.390 0.551 1.00 92.14 9 A 1 ATOM 70 C CA . PRO A 1 9 ? -0.616 -1.338 -0.467 1.00 93.07 9 A 1 ATOM 71 C C . PRO A 1 9 ? 0.907 -1.376 -0.582 1.00 94.38 9 A 1 ATOM 72 O O . PRO A 1 9 ? 1.578 -0.385 -0.297 1.00 92.60 9 A 1 ATOM 73 C CB . PRO A 1 9 ? -1.242 -0.805 -1.761 1.00 89.61 9 A 1 ATOM 74 C CG . PRO A 1 9 ? -1.455 0.644 -1.514 1.00 85.34 9 A 1 ATOM 75 C CD . PRO A 1 9 ? -1.749 0.765 -0.039 1.00 88.82 9 A 1 ATOM 76 N N . LEU A 1 10 ? 1.439 -2.522 -1.005 1.00 94.46 10 A 1 ATOM 77 C CA . LEU A 1 10 ? 2.880 -2.690 -1.162 1.00 94.94 10 A 1 ATOM 78 C C . LEU A 1 10 ? 3.440 -1.734 -2.209 1.00 95.87 10 A 1 ATOM 79 O O . LEU A 1 10 ? 4.574 -1.273 -2.104 1.00 95.29 10 A 1 ATOM 80 C CB . LEU A 1 10 ? 3.208 -4.138 -1.542 1.00 94.22 10 A 1 ATOM 81 C CG . LEU A 1 10 ? 3.977 -4.913 -0.475 1.00 87.93 10 A 1 ATOM 82 C CD1 . LEU A 1 10 ? 5.347 -4.316 -0.255 1.00 84.52 10 A 1 ATOM 83 C CD2 . LEU A 1 10 ? 3.183 -4.966 0.817 1.00 83.45 10 A 1 ATOM 84 N N . GLY A 1 11 ? 2.637 -1.450 -3.221 1.00 95.32 11 A 1 ATOM 85 C CA . GLY A 1 11 ? 3.049 -0.530 -4.282 1.00 95.65 11 A 1 ATOM 86 C C . GLY A 1 11 ? 3.416 0.842 -3.745 1.00 96.36 11 A 1 ATOM 87 O O . GLY A 1 11 ? 4.393 1.451 -4.181 1.00 95.29 11 A 1 ATOM 88 N N . TRP A 1 12 ? 2.631 1.326 -2.776 1.00 94.92 12 A 1 ATOM 89 C CA . TRP A 1 12 ? 2.899 2.628 -2.171 1.00 95.27 12 A 1 ATOM 90 C C . TRP A 1 12 ? 4.176 2.588 -1.340 1.00 96.24 12 A 1 ATOM 91 O O . TRP A 1 12 ? 5.010 3.489 -1.424 1.00 95.23 12 A 1 ATOM 92 C CB . TRP A 1 12 ? 1.721 3.065 -1.303 1.00 94.67 12 A 1 ATOM 93 C CG . TRP A 1 12 ? 1.078 4.316 -1.797 1.00 92.48 12 A 1 ATOM 94 C CD1 . TRP A 1 12 ? 0.125 4.414 -2.755 1.00 87.70 12 A 1 ATOM 95 C CD2 . TRP A 1 12 ? 1.356 5.665 -1.359 1.00 90.20 12 A 1 ATOM 96 N NE1 . TRP A 1 12 ? -0.203 5.737 -2.947 1.00 87.14 12 A 1 ATOM 97 C CE2 . TRP A 1 12 ? 0.530 6.528 -2.105 1.00 89.58 12 A 1 ATOM 98 C CE3 . TRP A 1 12 ? 2.217 6.212 -0.413 1.00 87.70 12 A 1 ATOM 99 C CZ2 . TRP A 1 12 ? 0.552 7.913 -1.924 1.00 88.18 12 A 1 ATOM 100 C CZ3 . TRP A 1 12 ? 2.238 7.600 -0.234 1.00 84.64 12 A 1 ATOM 101 C CH2 . TRP A 1 12 ? 1.410 8.432 -0.987 1.00 84.58 12 A 1 ATOM 102 N N . VAL A 1 13 ? 4.330 1.532 -0.558 1.00 94.95 13 A 1 ATOM 103 C CA . VAL A 1 13 ? 5.520 1.358 0.271 1.00 94.89 13 A 1 ATOM 104 C C . VAL A 1 13 ? 6.774 1.303 -0.598 1.00 95.69 13 A 1 ATOM 105 O O . VAL A 1 13 ? 7.794 1.917 -0.278 1.00 95.12 13 A 1 ATOM 106 C CB . VAL A 1 13 ? 5.421 0.081 1.121 1.00 94.00 13 A 1 ATOM 107 C CG1 . VAL A 1 13 ? 6.673 -0.097 1.972 1.00 90.87 13 A 1 ATOM 108 C CG2 . VAL A 1 13 ? 4.187 0.120 2.004 1.00 90.98 13 A 1 ATOM 109 N N . PHE A 1 14 ? 6.699 0.558 -1.689 1.00 95.61 14 A 1 ATOM 110 C CA . PHE A 1 14 ? 7.819 0.430 -2.617 1.00 95.97 14 A 1 ATOM 111 C C . PHE A 1 14 ? 8.158 1.772 -3.258 1.00 96.72 14 A 1 ATOM 112 O O . PHE A 1 14 ? 9.328 2.123 -3.408 1.00 96.43 14 A 1 ATOM 113 C CB . PHE A 1 14 ? 7.478 -0.598 -3.697 1.00 95.60 14 A 1 ATOM 114 C CG . PHE A 1 14 ? 8.658 -0.968 -4.555 1.00 92.37 14 A 1 ATOM 115 C CD1 . PHE A 1 14 ? 9.694 -1.732 -4.039 1.00 90.30 14 A 1 ATOM 116 C CD2 . PHE A 1 14 ? 8.721 -0.553 -5.876 1.00 90.36 14 A 1 ATOM 117 C CE1 . PHE A 1 14 ? 10.781 -2.071 -4.828 1.00 89.46 14 A 1 ATOM 118 C CE2 . PHE A 1 14 ? 9.809 -0.891 -6.669 1.00 88.79 14 A 1 ATOM 119 C CZ . PHE A 1 14 ? 10.839 -1.649 -6.146 1.00 90.32 14 A 1 ATOM 120 N N . PHE A 1 15 ? 7.131 2.512 -3.638 1.00 95.82 15 A 1 ATOM 121 C CA . PHE A 1 15 ? 7.306 3.825 -4.254 1.00 96.09 15 A 1 ATOM 122 C C . PHE A 1 15 ? 8.015 4.786 -3.300 1.00 96.90 15 A 1 ATOM 123 O O . PHE A 1 15 ? 8.970 5.466 -3.683 1.00 96.60 15 A 1 ATOM 124 C CB . PHE A 1 15 ? 5.946 4.400 -4.652 1.00 95.75 15 A 1 ATOM 125 C CG . PHE A 1 15 ? 6.044 5.590 -5.572 1.00 94.32 15 A 1 ATOM 126 C CD1 . PHE A 1 15 ? 6.098 6.877 -5.061 1.00 92.20 15 A 1 ATOM 127 C CD2 . PHE A 1 15 ? 6.084 5.406 -6.946 1.00 92.26 15 A 1 ATOM 128 C CE1 . PHE A 1 15 ? 6.194 7.970 -5.908 1.00 91.10 15 A 1 ATOM 129 C CE2 . PHE A 1 15 ? 6.179 6.497 -7.794 1.00 91.04 15 A 1 ATOM 130 C CZ . PHE A 1 15 ? 6.238 7.780 -7.277 1.00 92.62 15 A 1 ATOM 131 N N . VAL A 1 16 ? 7.541 4.832 -2.066 1.00 96.17 16 A 1 ATOM 132 C CA . VAL A 1 16 ? 8.135 5.701 -1.048 1.00 96.01 16 A 1 ATOM 133 C C . VAL A 1 16 ? 9.570 5.277 -0.748 1.00 96.58 16 A 1 ATOM 134 O O . VAL A 1 16 ? 10.457 6.120 -0.576 1.00 96.14 16 A 1 ATOM 135 C CB . VAL A 1 16 ? 7.301 5.688 0.246 1.00 95.12 16 A 1 ATOM 136 C CG1 . VAL A 1 16 ? 7.958 6.538 1.328 1.00 92.23 16 A 1 ATOM 137 C CG2 . VAL A 1 16 ? 5.892 6.193 -0.023 1.00 92.57 16 A 1 ATOM 138 N N . LEU A 1 17 ? 9.797 3.970 -0.687 1.00 96.94 17 A 1 ATOM 139 C CA . LEU A 1 17 ? 11.126 3.431 -0.418 1.00 96.89 17 A 1 ATOM 140 C C . LEU A 1 17 ? 12.114 3.836 -1.508 1.00 97.38 17 A 1 ATOM 141 O O . LEU A 1 17 ? 13.248 4.220 -1.218 1.00 97.08 17 A 1 ATOM 142 C CB . LEU A 1 17 ? 11.059 1.903 -0.320 1.00 96.55 17 A 1 ATOM 143 C CG . LEU A 1 17 ? 12.322 1.247 0.233 1.00 92.14 17 A 1 ATOM 144 C CD1 . LEU A 1 17 ? 12.463 1.525 1.725 1.00 89.48 17 A 1 ATOM 145 C CD2 . LEU A 1 17 ? 12.293 -0.247 -0.028 1.00 89.88 17 A 1 ATOM 146 N N . CYS A 1 18 ? 11.686 3.754 -2.754 1.00 97.75 18 A 1 ATOM 147 C CA . CYS A 1 18 ? 12.524 4.127 -3.888 1.00 97.86 18 A 1 ATOM 148 C C . CYS A 1 18 ? 12.880 5.612 -3.857 1.00 97.93 18 A 1 ATOM 149 O O . CYS A 1 18 ? 13.996 5.998 -4.195 1.00 97.20 18 A 1 ATOM 150 C CB . CYS A 1 18 ? 11.814 3.787 -5.201 1.00 97.41 18 A 1 ATOM 151 S SG . CYS A 1 18 ? 11.845 2.022 -5.571 1.00 94.72 18 A 1 ATOM 152 N N . LEU A 1 19 ? 11.923 6.430 -3.455 1.00 97.52 19 A 1 ATOM 153 C CA . LEU A 1 19 ? 12.142 7.872 -3.370 1.00 97.41 19 A 1 ATOM 154 C C . LEU A 1 19 ? 13.108 8.223 -2.240 1.00 97.69 19 A 1 ATOM 155 O O . LEU A 1 19 ? 13.958 9.103 -2.390 1.00 97.28 19 A 1 ATOM 156 C CB . LEU A 1 19 ? 10.802 8.589 -3.157 1.00 96.96 19 A 1 ATOM 157 C CG . LEU A 1 19 ? 9.925 8.710 -4.403 1.00 93.19 19 A 1 ATOM 158 C CD1 . LEU A 1 19 ? 8.516 9.139 -4.021 1.00 89.15 19 A 1 ATOM 159 C CD2 . LEU A 1 19 ? 10.527 9.697 -5.388 1.00 89.11 19 A 1 ATOM 160 N N . SER A 1 20 ? 12.968 7.540 -1.116 1.00 97.02 20 A 1 ATOM 161 C CA . SER A 1 20 ? 13.820 7.779 0.047 1.00 96.88 20 A 1 ATOM 162 C C . SER A 1 20 ? 15.234 7.238 -0.159 1.00 96.94 20 A 1 ATOM 163 O O . SER A 1 20 ? 16.212 7.823 0.312 1.00 94.98 20 A 1 ATOM 164 C CB . SER A 1 20 ? 13.201 7.145 1.290 1.00 95.34 20 A 1 ATOM 165 O OG . SER A 1 20 ? 13.898 7.533 2.452 1.00 86.44 20 A 1 ATOM 166 N N . ALA A 1 21 ? 15.345 6.109 -0.844 1.00 95.82 21 A 1 ATOM 167 C CA . ALA A 1 21 ? 16.628 5.474 -1.098 1.00 94.63 21 A 1 ATOM 168 C C . ALA A 1 21 ? 17.173 5.824 -2.488 1.00 92.60 21 A 1 ATOM 169 O O . ALA A 1 21 ? 16.439 6.394 -3.309 1.00 89.03 21 A 1 ATOM 170 C CB . ALA A 1 21 ? 16.503 3.961 -0.938 1.00 91.06 21 A 1 ATOM 171 O OXT . ALA A 1 21 ? 18.337 5.510 -2.775 1.00 80.49 21 A 1 #