# 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_spkb36461 # _entry.id spkb36461 # 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 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" "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 ALA 2 1 n LEU 3 1 n LEU 4 1 n ARG 5 1 n GLY 6 1 n PHE 7 1 n LEU 8 1 n VAL 9 1 n CYS 10 1 n SER 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n LEU 15 1 n SER 16 1 n CYS 17 1 n ILE 18 1 n CYS 19 1 n LYS 20 1 n GLU 21 1 n ALA 22 1 n LEU 23 1 n GLY 24 # _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 @ 2025-07-02 14:48:20)" _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 87.48 _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 79.94 1 1 A ALA 2 2 90.12 1 2 A LEU 3 2 85.77 1 3 A LEU 4 2 87.66 1 4 A ARG 5 2 81.57 1 5 A GLY 6 2 92.79 1 6 A PHE 7 2 87.51 1 7 A LEU 8 2 89.15 1 8 A VAL 9 2 91.52 1 9 A CYS 10 2 91.96 1 10 A SER 11 2 89.37 1 11 A LEU 12 2 88.77 1 12 A LEU 13 2 89.74 1 13 A LEU 14 2 88.50 1 14 A LEU 15 2 89.06 1 15 A SER 16 2 90.04 1 16 A CYS 17 2 90.56 1 17 A ILE 18 2 91.95 1 18 A CYS 19 2 89.86 1 19 A LYS 20 2 83.66 1 20 A GLU 21 2 84.20 1 21 A ALA 22 2 92.58 1 22 A LEU 23 2 83.28 1 23 A GLY 24 2 79.99 1 24 # _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 ALA . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n LEU . 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 SER . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n CYS . 19 A 19 A 20 1 n LYS . 20 A 20 A 21 1 n GLU . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n GLY . 24 A 24 # _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 ? -6.008 18.964 7.678 1.00 86.49 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.521 18.338 6.428 1.00 88.42 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.470 17.231 6.651 1.00 89.15 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.888 16.743 5.692 1.00 85.75 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.977 19.423 5.482 1.00 82.49 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.075 20.381 4.984 1.00 76.23 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.275 19.587 3.899 1.00 69.66 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.270 21.005 3.411 1.00 61.31 1 A 1 ATOM 9 N N . ALA A 1 2 ? -4.206 16.829 7.889 1.00 88.76 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -3.203 15.799 8.209 1.00 91.41 2 A 1 ATOM 11 C C . ALA A 1 2 ? -3.708 14.364 7.979 1.00 92.87 2 A 1 ATOM 12 O O . ALA A 1 2 ? -2.919 13.480 7.657 1.00 89.46 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -2.756 16.009 9.653 1.00 88.09 2 A 1 ATOM 14 N N . LEU A 1 3 ? -5.026 14.131 8.084 1.00 90.79 3 A 1 ATOM 15 C CA . LEU A 1 3 ? -5.643 12.810 7.910 1.00 91.23 3 A 1 ATOM 16 C C . LEU A 1 3 ? -5.447 12.253 6.498 1.00 91.91 3 A 1 ATOM 17 O O . LEU A 1 3 ? -5.155 11.069 6.346 1.00 90.06 3 A 1 ATOM 18 C CB . LEU A 1 3 ? -7.141 12.910 8.244 1.00 89.59 3 A 1 ATOM 19 C CG . LEU A 1 3 ? -7.421 12.892 9.752 1.00 80.85 3 A 1 ATOM 20 C CD1 . LEU A 1 3 ? -8.811 13.457 10.033 1.00 75.95 3 A 1 ATOM 21 C CD2 . LEU A 1 3 ? -7.352 11.470 10.299 1.00 75.80 3 A 1 ATOM 22 N N . LEU A 1 4 ? -5.539 13.092 5.461 1.00 91.60 4 A 1 ATOM 23 C CA . LEU A 1 4 ? -5.344 12.668 4.070 1.00 91.71 4 A 1 ATOM 24 C C . LEU A 1 4 ? -3.908 12.194 3.813 1.00 92.17 4 A 1 ATOM 25 O O . LEU A 1 4 ? -3.694 11.215 3.105 1.00 91.22 4 A 1 ATOM 26 C CB . LEU A 1 4 ? -5.702 13.823 3.117 1.00 91.82 4 A 1 ATOM 27 C CG . LEU A 1 4 ? -6.647 13.368 1.992 1.00 85.56 4 A 1 ATOM 28 C CD1 . LEU A 1 4 ? -8.102 13.581 2.408 1.00 78.37 4 A 1 ATOM 29 C CD2 . LEU A 1 4 ? -6.383 14.151 0.716 1.00 78.82 4 A 1 ATOM 30 N N . ARG A 1 5 ? -2.912 12.881 4.402 1.00 91.11 5 A 1 ATOM 31 C CA . ARG A 1 5 ? -1.494 12.500 4.301 1.00 92.07 5 A 1 ATOM 32 C C . ARG A 1 5 ? -1.231 11.180 5.019 1.00 92.67 5 A 1 ATOM 33 O O . ARG A 1 5 ? -0.553 10.326 4.463 1.00 90.88 5 A 1 ATOM 34 C CB . ARG A 1 5 ? -0.615 13.613 4.884 1.00 90.49 5 A 1 ATOM 35 C CG . ARG A 1 5 ? -0.547 14.875 4.012 1.00 83.28 5 A 1 ATOM 36 C CD . ARG A 1 5 ? 0.460 14.713 2.875 1.00 81.51 5 A 1 ATOM 37 N NE . ARG A 1 5 ? 0.742 16.014 2.220 1.00 74.84 5 A 1 ATOM 38 C CZ . ARG A 1 5 ? 1.618 16.224 1.254 1.00 71.93 5 A 1 ATOM 39 N NH1 . ARG A 1 5 ? 2.317 15.258 0.740 1.00 63.44 5 A 1 ATOM 40 N NH2 . ARG A 1 5 ? 1.806 17.425 0.790 1.00 65.02 5 A 1 ATOM 41 N N . GLY A 1 6 ? -1.779 11.000 6.216 1.00 92.34 6 A 1 ATOM 42 C CA . GLY A 1 6 ? -1.664 9.751 6.970 1.00 92.52 6 A 1 ATOM 43 C C . GLY A 1 6 ? -2.266 8.570 6.213 1.00 93.66 6 A 1 ATOM 44 O O . GLY A 1 6 ? -1.620 7.538 6.084 1.00 92.63 6 A 1 ATOM 45 N N . PHE A 1 7 ? -3.460 8.744 5.635 1.00 91.91 7 A 1 ATOM 46 C CA . PHE A 1 7 ? -4.125 7.708 4.840 1.00 91.82 7 A 1 ATOM 47 C C . PHE A 1 7 ? -3.315 7.320 3.595 1.00 93.04 7 A 1 ATOM 48 O O . PHE A 1 7 ? -3.144 6.133 3.321 1.00 91.92 7 A 1 ATOM 49 C CB . PHE A 1 7 ? -5.521 8.196 4.452 1.00 91.46 7 A 1 ATOM 50 C CG . PHE A 1 7 ? -6.317 7.145 3.717 1.00 87.77 7 A 1 ATOM 51 C CD1 . PHE A 1 7 ? -6.384 7.154 2.315 1.00 84.57 7 A 1 ATOM 52 C CD2 . PHE A 1 7 ? -6.963 6.131 4.438 1.00 84.87 7 A 1 ATOM 53 C CE1 . PHE A 1 7 ? -7.098 6.155 1.637 1.00 81.18 7 A 1 ATOM 54 C CE2 . PHE A 1 7 ? -7.675 5.131 3.758 1.00 81.22 7 A 1 ATOM 55 C CZ . PHE A 1 7 ? -7.740 5.144 2.359 1.00 82.87 7 A 1 ATOM 56 N N . LEU A 1 8 ? -2.760 8.303 2.873 1.00 92.57 8 A 1 ATOM 57 C CA . LEU A 1 8 ? -1.895 8.058 1.715 1.00 93.34 8 A 1 ATOM 58 C C . LEU A 1 8 ? -0.640 7.273 2.088 1.00 94.64 8 A 1 ATOM 59 O O . LEU A 1 8 ? -0.295 6.315 1.401 1.00 93.99 8 A 1 ATOM 60 C CB . LEU A 1 8 ? -1.521 9.405 1.071 1.00 93.36 8 A 1 ATOM 61 C CG . LEU A 1 8 ? -2.410 9.744 -0.132 1.00 84.66 8 A 1 ATOM 62 C CD1 . LEU A 1 8 ? -2.380 11.244 -0.408 1.00 79.58 8 A 1 ATOM 63 C CD2 . LEU A 1 8 ? -1.920 9.019 -1.383 1.00 81.03 8 A 1 ATOM 64 N N . VAL A 1 9 ? 0.025 7.637 3.186 1.00 93.63 9 A 1 ATOM 65 C CA . VAL A 1 9 ? 1.225 6.938 3.670 1.00 93.28 9 A 1 ATOM 66 C C . VAL A 1 9 ? 0.890 5.510 4.093 1.00 93.91 9 A 1 ATOM 67 O O . VAL A 1 9 ? 1.591 4.587 3.692 1.00 92.45 9 A 1 ATOM 68 C CB . VAL A 1 9 ? 1.889 7.725 4.808 1.00 92.15 9 A 1 ATOM 69 C CG1 . VAL A 1 9 ? 3.033 6.954 5.463 1.00 87.08 9 A 1 ATOM 70 C CG2 . VAL A 1 9 ? 2.477 9.034 4.274 1.00 88.16 9 A 1 ATOM 71 N N . CYS A 1 10 ? -0.194 5.296 4.829 1.00 93.98 10 A 1 ATOM 72 C CA . CYS A 1 10 ? -0.638 3.955 5.210 1.00 94.20 10 A 1 ATOM 73 C C . CYS A 1 10 ? -0.979 3.093 3.989 1.00 94.74 10 A 1 ATOM 74 O O . CYS A 1 10 ? -0.603 1.930 3.941 1.00 93.37 10 A 1 ATOM 75 C CB . CYS A 1 10 ? -1.849 4.059 6.140 1.00 92.39 10 A 1 ATOM 76 S SG . CYS A 1 10 ? -1.335 4.624 7.784 1.00 83.11 10 A 1 ATOM 77 N N . SER A 1 11 ? -1.644 3.662 2.984 1.00 90.69 11 A 1 ATOM 78 C CA . SER A 1 11 ? -1.979 2.953 1.745 1.00 91.64 11 A 1 ATOM 79 C C . SER A 1 11 ? -0.731 2.576 0.946 1.00 92.78 11 A 1 ATOM 80 O O . SER A 1 11 ? -0.639 1.459 0.448 1.00 91.59 11 A 1 ATOM 81 C CB . SER A 1 11 ? -2.905 3.804 0.875 1.00 89.95 11 A 1 ATOM 82 O OG . SER A 1 11 ? -4.099 4.101 1.561 1.00 79.56 11 A 1 ATOM 83 N N . LEU A 1 12 ? 0.259 3.467 0.860 1.00 92.66 12 A 1 ATOM 84 C CA . LEU A 1 12 ? 1.541 3.191 0.203 1.00 93.29 12 A 1 ATOM 85 C C . LEU A 1 12 ? 2.339 2.117 0.939 1.00 94.37 12 A 1 ATOM 86 O O . LEU A 1 12 ? 2.913 1.242 0.292 1.00 93.04 12 A 1 ATOM 87 C CB . LEU A 1 12 ? 2.356 4.490 0.117 1.00 93.21 12 A 1 ATOM 88 C CG . LEU A 1 12 ? 1.976 5.357 -1.086 1.00 83.51 12 A 1 ATOM 89 C CD1 . LEU A 1 12 ? 2.490 6.781 -0.886 1.00 78.84 12 A 1 ATOM 90 C CD2 . LEU A 1 12 ? 2.593 4.807 -2.373 1.00 81.25 12 A 1 ATOM 91 N N . LEU A 1 13 ? 2.359 2.142 2.271 1.00 94.83 13 A 1 ATOM 92 C CA . LEU A 1 13 ? 3.025 1.121 3.080 1.00 93.89 13 A 1 ATOM 93 C C . LEU A 1 13 ? 2.368 -0.245 2.901 1.00 94.52 13 A 1 ATOM 94 O O . LEU A 1 13 ? 3.073 -1.222 2.666 1.00 92.96 13 A 1 ATOM 95 C CB . LEU A 1 13 ? 3.010 1.544 4.555 1.00 93.75 13 A 1 ATOM 96 C CG . LEU A 1 13 ? 4.053 2.613 4.894 1.00 86.18 13 A 1 ATOM 97 C CD1 . LEU A 1 13 ? 3.776 3.168 6.292 1.00 80.19 13 A 1 ATOM 98 C CD2 . LEU A 1 13 ? 5.471 2.040 4.890 1.00 81.59 13 A 1 ATOM 99 N N . LEU A 1 14 ? 1.039 -0.322 2.938 1.00 94.09 14 A 1 ATOM 100 C CA . LEU A 1 14 ? 0.297 -1.556 2.677 1.00 93.26 14 A 1 ATOM 101 C C . LEU A 1 14 ? 0.581 -2.096 1.279 1.00 93.77 14 A 1 ATOM 102 O O . LEU A 1 14 ? 0.895 -3.273 1.133 1.00 92.87 14 A 1 ATOM 103 C CB . LEU A 1 14 ? -1.206 -1.294 2.858 1.00 92.88 14 A 1 ATOM 104 C CG . LEU A 1 14 ? -1.682 -1.570 4.288 1.00 83.08 14 A 1 ATOM 105 C CD1 . LEU A 1 14 ? -3.013 -0.870 4.541 1.00 78.27 14 A 1 ATOM 106 C CD2 . LEU A 1 14 ? -1.875 -3.070 4.510 1.00 79.80 14 A 1 ATOM 107 N N . LEU A 1 15 ? 0.533 -1.244 0.258 1.00 94.26 15 A 1 ATOM 108 C CA . LEU A 1 15 ? 0.838 -1.636 -1.114 1.00 93.35 15 A 1 ATOM 109 C C . LEU A 1 15 ? 2.275 -2.137 -1.242 1.00 93.95 15 A 1 ATOM 110 O O . LEU A 1 15 ? 2.510 -3.155 -1.884 1.00 92.82 15 A 1 ATOM 111 C CB . LEU A 1 15 ? 0.575 -0.441 -2.036 1.00 93.24 15 A 1 ATOM 112 C CG . LEU A 1 15 ? 0.668 -0.797 -3.529 1.00 84.76 15 A 1 ATOM 113 C CD1 . LEU A 1 15 ? -0.501 -1.686 -3.967 1.00 79.32 15 A 1 ATOM 114 C CD2 . LEU A 1 15 ? 0.632 0.484 -4.356 1.00 80.76 15 A 1 ATOM 115 N N . SER A 1 16 ? 3.241 -1.480 -0.600 1.00 92.71 16 A 1 ATOM 116 C CA . SER A 1 16 ? 4.648 -1.891 -0.608 1.00 92.17 16 A 1 ATOM 117 C C . SER A 1 16 ? 4.853 -3.236 0.085 1.00 92.48 16 A 1 ATOM 118 O O . SER A 1 16 ? 5.619 -4.054 -0.413 1.00 90.52 16 A 1 ATOM 119 C CB . SER A 1 16 ? 5.528 -0.840 0.065 1.00 91.50 16 A 1 ATOM 120 O OG . SER A 1 16 ? 5.440 0.396 -0.613 1.00 80.87 16 A 1 ATOM 121 N N . CYS A 1 17 ? 4.162 -3.506 1.200 1.00 92.09 17 A 1 ATOM 122 C CA . CYS A 1 17 ? 4.204 -4.806 1.870 1.00 92.86 17 A 1 ATOM 123 C C . CYS A 1 17 ? 3.637 -5.913 0.979 1.00 93.34 17 A 1 ATOM 124 O O . CYS A 1 17 ? 4.287 -6.933 0.803 1.00 91.39 17 A 1 ATOM 125 C CB . CYS A 1 17 ? 3.443 -4.730 3.198 1.00 91.83 17 A 1 ATOM 126 S SG . CYS A 1 17 ? 4.485 -3.992 4.479 1.00 81.86 17 A 1 ATOM 127 N N . ILE A 1 18 ? 2.469 -5.697 0.365 1.00 94.39 18 A 1 ATOM 128 C CA . ILE A 1 18 ? 1.834 -6.665 -0.535 1.00 93.97 18 A 1 ATOM 129 C C . ILE A 1 18 ? 2.716 -6.919 -1.760 1.00 94.20 18 A 1 ATOM 130 O O . ILE A 1 18 ? 2.934 -8.071 -2.129 1.00 93.46 18 A 1 ATOM 131 C CB . ILE A 1 18 ? 0.432 -6.176 -0.936 1.00 93.76 18 A 1 ATOM 132 C CG1 . ILE A 1 18 ? -0.510 -6.141 0.289 1.00 91.28 18 A 1 ATOM 133 C CG2 . ILE A 1 18 ? -0.176 -7.082 -2.027 1.00 90.18 18 A 1 ATOM 134 C CD1 . ILE A 1 18 ? -1.775 -5.311 0.065 1.00 84.38 18 A 1 ATOM 135 N N . CYS A 1 19 ? 3.272 -5.874 -2.377 1.00 91.69 19 A 1 ATOM 136 C CA . CYS A 1 19 ? 4.181 -6.027 -3.511 1.00 91.91 19 A 1 ATOM 137 C C . CYS A 1 19 ? 5.448 -6.798 -3.134 1.00 91.43 19 A 1 ATOM 138 O O . CYS A 1 19 ? 5.913 -7.608 -3.919 1.00 91.22 19 A 1 ATOM 139 C CB . CYS A 1 19 ? 4.546 -4.651 -4.079 1.00 91.33 19 A 1 ATOM 140 S SG . CYS A 1 19 ? 3.150 -3.950 -4.992 1.00 81.60 19 A 1 ATOM 141 N N . LYS A 1 20 ? 5.991 -6.574 -1.937 1.00 90.64 20 A 1 ATOM 142 C CA . LYS A 1 20 ? 7.177 -7.287 -1.461 1.00 90.99 20 A 1 ATOM 143 C C . LYS A 1 20 ? 6.894 -8.761 -1.185 1.00 91.19 20 A 1 ATOM 144 O O . LYS A 1 20 ? 7.738 -9.592 -1.494 1.00 90.50 20 A 1 ATOM 145 C CB . LYS A 1 20 ? 7.741 -6.563 -0.240 1.00 90.66 20 A 1 ATOM 146 C CG . LYS A 1 20 ? 9.081 -7.160 0.186 1.00 83.12 20 A 1 ATOM 147 C CD . LYS A 1 20 ? 9.722 -6.318 1.285 1.00 78.61 20 A 1 ATOM 148 C CE . LYS A 1 20 ? 11.056 -6.970 1.666 1.00 72.15 20 A 1 ATOM 149 N NZ . LYS A 1 20 ? 11.814 -6.134 2.610 1.00 65.06 20 A 1 ATOM 150 N N . GLU A 1 21 ? 5.731 -9.096 -0.634 1.00 92.15 21 A 1 ATOM 151 C CA . GLU A 1 21 ? 5.323 -10.494 -0.429 1.00 92.21 21 A 1 ATOM 152 C C . GLU A 1 21 ? 4.957 -11.186 -1.745 1.00 92.56 21 A 1 ATOM 153 O O . GLU A 1 21 ? 5.237 -12.369 -1.907 1.00 88.86 21 A 1 ATOM 154 C CB . GLU A 1 21 ? 4.155 -10.567 0.555 1.00 90.90 21 A 1 ATOM 155 C CG . GLU A 1 21 ? 4.622 -10.356 1.998 1.00 82.01 21 A 1 ATOM 156 C CD . GLU A 1 21 ? 3.469 -10.539 2.979 1.00 76.67 21 A 1 ATOM 157 O OE1 . GLU A 1 21 ? 3.402 -11.605 3.623 1.00 70.15 21 A 1 ATOM 158 O OE2 . GLU A 1 21 ? 2.656 -9.599 3.098 1.00 72.31 21 A 1 ATOM 159 N N . ALA A 1 22 ? 4.371 -10.471 -2.715 1.00 93.09 22 A 1 ATOM 160 C CA . ALA A 1 22 ? 3.990 -11.031 -4.013 1.00 93.27 22 A 1 ATOM 161 C C . ALA A 1 22 ? 5.174 -11.196 -4.979 1.00 93.36 22 A 1 ATOM 162 O O . ALA A 1 22 ? 5.127 -12.065 -5.849 1.00 90.91 22 A 1 ATOM 163 C CB . ALA A 1 22 ? 2.906 -10.139 -4.625 1.00 92.27 22 A 1 ATOM 164 N N . LEU A 1 23 ? 6.221 -10.372 -4.853 1.00 90.19 23 A 1 ATOM 165 C CA . LEU A 1 23 ? 7.416 -10.399 -5.709 1.00 89.58 23 A 1 ATOM 166 C C . LEU A 1 23 ? 8.596 -11.137 -5.073 1.00 90.22 23 A 1 ATOM 167 O O . LEU A 1 23 ? 9.607 -11.341 -5.745 1.00 87.60 23 A 1 ATOM 168 C CB . LEU A 1 23 ? 7.814 -8.955 -6.081 1.00 87.84 23 A 1 ATOM 169 C CG . LEU A 1 23 ? 8.026 -8.749 -7.582 1.00 78.39 23 A 1 ATOM 170 C CD1 . LEU A 1 23 ? 6.843 -7.985 -8.182 1.00 71.09 23 A 1 ATOM 171 C CD2 . LEU A 1 23 ? 9.292 -7.948 -7.866 1.00 71.30 23 A 1 ATOM 172 N N . GLY A 1 24 ? 8.498 -11.489 -3.794 1.00 86.67 24 A 1 ATOM 173 C CA . GLY A 1 24 ? 9.527 -12.208 -3.050 1.00 83.97 24 A 1 ATOM 174 C C . GLY A 1 24 ? 9.532 -13.695 -3.334 1.00 79.81 24 A 1 ATOM 175 O O . GLY A 1 24 ? 8.433 -14.263 -3.510 1.00 72.66 24 A 1 ATOM 176 O OXT . GLY A 1 24 ? 10.650 -14.274 -3.369 1.00 76.83 24 A 1 #