# 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_spkb33890 # _entry.id spkb33890 # 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" "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" "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" "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 LEU 2 1 n ALA 3 1 n ARG 4 1 n ARG 5 1 n VAL 6 1 n VAL 7 1 n ALA 8 1 n ALA 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n TRP 13 1 n LEU 14 1 n SER 15 1 n CYS 16 1 n CYS 17 1 n VAL 18 1 n SER 19 1 n ALA 20 # _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 @ 2025-07-12 17:20:26)" _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 94.03 _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 87.89 1 1 A LEU 2 2 90.69 1 2 A ALA 3 2 97.03 1 3 A ARG 4 2 87.31 1 4 A ARG 5 2 88.71 1 5 A VAL 6 2 97.40 1 6 A VAL 7 2 97.46 1 7 A ALA 8 2 98.00 1 8 A ALA 9 2 98.10 1 9 A LEU 10 2 95.73 1 10 A LEU 11 2 96.66 1 11 A LEU 12 2 96.59 1 12 A TRP 13 2 95.75 1 13 A LEU 14 2 96.10 1 14 A SER 15 2 97.06 1 15 A CYS 16 2 96.89 1 16 A CYS 17 2 96.48 1 17 A VAL 18 2 95.41 1 18 A SER 19 2 91.88 1 19 A ALA 20 2 87.77 1 20 # _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 LEU . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n TRP . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n CYS . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n ALA . 20 A 20 # _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 ? -15.546 0.183 8.669 1.00 93.83 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.458 -0.580 8.037 1.00 93.94 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.867 0.197 6.871 1.00 95.04 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.592 0.570 5.951 1.00 92.30 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.981 -1.923 7.534 1.00 90.76 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.269 -2.898 8.660 1.00 85.83 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.026 -4.405 8.062 1.00 80.42 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.163 -5.323 9.583 1.00 70.99 1 A 1 ATOM 9 N N . LEU A 1 2 ? -12.571 0.437 6.916 1.00 94.64 2 A 1 ATOM 10 C CA . LEU A 1 2 ? -11.891 1.171 5.856 1.00 95.25 2 A 1 ATOM 11 C C . LEU A 1 2 ? -10.678 0.395 5.352 1.00 96.39 2 A 1 ATOM 12 O O . LEU A 1 2 ? -9.630 0.381 6.001 1.00 95.44 2 A 1 ATOM 13 C CB . LEU A 1 2 ? -11.460 2.537 6.374 1.00 93.64 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -12.575 3.567 6.438 1.00 85.62 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -12.374 4.507 7.613 1.00 83.18 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -12.632 4.347 5.135 1.00 81.37 2 A 1 ATOM 17 N N . ALA A 1 3 ? -10.852 -0.237 4.207 1.00 97.20 3 A 1 ATOM 18 C CA . ALA A 1 3 ? -9.765 -1.013 3.609 1.00 97.27 3 A 1 ATOM 19 C C . ALA A 1 3 ? -8.784 -0.112 2.865 1.00 97.53 3 A 1 ATOM 20 O O . ALA A 1 3 ? -7.699 -0.538 2.472 1.00 96.81 3 A 1 ATOM 21 C CB . ALA A 1 3 ? -10.337 -2.061 2.671 1.00 96.32 3 A 1 ATOM 22 N N . ARG A 1 4 ? -9.183 1.140 2.678 1.00 97.52 4 A 1 ATOM 23 C CA . ARG A 1 4 ? -8.352 2.121 1.981 1.00 97.50 4 A 1 ATOM 24 C C . ARG A 1 4 ? -7.180 2.582 2.833 1.00 97.78 4 A 1 ATOM 25 O O . ARG A 1 4 ? -6.143 2.984 2.312 1.00 97.14 4 A 1 ATOM 26 C CB . ARG A 1 4 ? -9.196 3.318 1.559 1.00 96.74 4 A 1 ATOM 27 C CG . ARG A 1 4 ? -8.745 3.922 0.246 1.00 89.62 4 A 1 ATOM 28 C CD . ARG A 1 4 ? -7.783 5.070 0.457 1.00 86.68 4 A 1 ATOM 29 N NE . ARG A 1 4 ? -8.432 6.216 1.111 1.00 79.92 4 A 1 ATOM 30 C CZ . ARG A 1 4 ? -7.770 7.214 1.675 1.00 77.36 4 A 1 ATOM 31 N NH1 . ARG A 1 4 ? -6.455 7.237 1.681 1.00 69.80 4 A 1 ATOM 32 N NH2 . ARG A 1 4 ? -8.437 8.197 2.255 1.00 70.34 4 A 1 ATOM 33 N N . ARG A 1 5 ? -7.348 2.527 4.130 1.00 97.53 5 A 1 ATOM 34 C CA . ARG A 1 5 ? -6.297 2.946 5.053 1.00 97.68 5 A 1 ATOM 35 C C . ARG A 1 5 ? -5.043 2.092 4.886 1.00 98.11 5 A 1 ATOM 36 O O . ARG A 1 5 ? -3.927 2.620 4.870 1.00 97.73 5 A 1 ATOM 37 C CB . ARG A 1 5 ? -6.785 2.898 6.498 1.00 97.28 5 A 1 ATOM 38 C CG . ARG A 1 5 ? -7.453 1.607 6.893 1.00 92.82 5 A 1 ATOM 39 C CD . ARG A 1 5 ? -7.620 1.545 8.396 1.00 88.18 5 A 1 ATOM 40 N NE . ARG A 1 5 ? -6.401 1.043 9.021 1.00 82.57 5 A 1 ATOM 41 C CZ . ARG A 1 5 ? -6.195 -0.236 9.313 1.00 79.21 5 A 1 ATOM 42 N NH1 . ARG A 1 5 ? -7.113 -1.145 9.046 1.00 71.75 5 A 1 ATOM 43 N NH2 . ARG A 1 5 ? -5.052 -0.609 9.862 1.00 72.94 5 A 1 ATOM 44 N N . VAL A 1 6 ? -5.233 0.795 4.758 1.00 97.96 6 A 1 ATOM 45 C CA . VAL A 1 6 ? -4.105 -0.113 4.568 1.00 98.02 6 A 1 ATOM 46 C C . VAL A 1 6 ? -3.453 0.112 3.209 1.00 98.17 6 A 1 ATOM 47 O O . VAL A 1 6 ? -2.238 -0.031 3.057 1.00 98.03 6 A 1 ATOM 48 C CB . VAL A 1 6 ? -4.527 -1.597 4.713 1.00 97.79 6 A 1 ATOM 49 C CG1 . VAL A 1 6 ? -4.599 -2.000 6.164 1.00 95.92 6 A 1 ATOM 50 C CG2 . VAL A 1 6 ? -5.845 -1.869 4.014 1.00 95.90 6 A 1 ATOM 51 N N . VAL A 1 7 ? -4.269 0.471 2.247 1.00 98.13 7 A 1 ATOM 52 C CA . VAL A 1 7 ? -3.778 0.744 0.898 1.00 98.12 7 A 1 ATOM 53 C C . VAL A 1 7 ? -2.870 1.968 0.909 1.00 98.15 7 A 1 ATOM 54 O O . VAL A 1 7 ? -1.853 2.009 0.211 1.00 98.02 7 A 1 ATOM 55 C CB . VAL A 1 7 ? -4.943 0.958 -0.086 1.00 97.87 7 A 1 ATOM 56 C CG1 . VAL A 1 7 ? -4.422 1.205 -1.494 1.00 95.78 7 A 1 ATOM 57 C CG2 . VAL A 1 7 ? -5.878 -0.234 -0.071 1.00 96.14 7 A 1 ATOM 58 N N . ALA A 1 8 ? -3.242 2.953 1.699 1.00 98.13 8 A 1 ATOM 59 C CA . ALA A 1 8 ? -2.456 4.178 1.823 1.00 98.02 8 A 1 ATOM 60 C C . ALA A 1 8 ? -1.088 3.884 2.430 1.00 98.16 8 A 1 ATOM 61 O O . ALA A 1 8 ? -0.080 4.465 2.025 1.00 97.98 8 A 1 ATOM 62 C CB . ALA A 1 8 ? -3.203 5.189 2.682 1.00 97.72 8 A 1 ATOM 63 N N . ALA A 1 9 ? -1.076 2.986 3.389 1.00 98.09 9 A 1 ATOM 64 C CA . ALA A 1 9 ? 0.167 2.595 4.045 1.00 98.10 9 A 1 ATOM 65 C C . ALA A 1 9 ? 1.063 1.823 3.086 1.00 98.29 9 A 1 ATOM 66 O O . ALA A 1 9 ? 2.278 2.021 3.067 1.00 98.15 9 A 1 ATOM 67 C CB . ALA A 1 9 ? -0.138 1.751 5.274 1.00 97.88 9 A 1 ATOM 68 N N . LEU A 1 10 ? 0.449 0.961 2.296 1.00 98.01 10 A 1 ATOM 69 C CA . LEU A 1 10 ? 1.189 0.168 1.322 1.00 97.99 10 A 1 ATOM 70 C C . LEU A 1 10 ? 1.710 1.043 0.190 1.00 98.23 10 A 1 ATOM 71 O O . LEU A 1 10 ? 2.805 0.811 -0.330 1.00 98.15 10 A 1 ATOM 72 C CB . LEU A 1 10 ? 0.296 -0.935 0.755 1.00 97.84 10 A 1 ATOM 73 C CG . LEU A 1 10 ? 0.004 -2.083 1.712 1.00 94.09 10 A 1 ATOM 74 C CD1 . LEU A 1 10 ? -1.282 -2.793 1.327 1.00 90.35 10 A 1 ATOM 75 C CD2 . LEU A 1 10 ? 1.165 -3.071 1.732 1.00 91.18 10 A 1 ATOM 76 N N . LEU A 1 11 ? 0.926 2.028 -0.179 1.00 98.44 11 A 1 ATOM 77 C CA . LEU A 1 11 ? 1.306 2.962 -1.230 1.00 98.39 11 A 1 ATOM 78 C C . LEU A 1 11 ? 2.546 3.745 -0.826 1.00 98.43 11 A 1 ATOM 79 O O . LEU A 1 11 ? 3.501 3.851 -1.596 1.00 98.32 11 A 1 ATOM 80 C CB . LEU A 1 11 ? 0.157 3.930 -1.523 1.00 98.27 11 A 1 ATOM 81 C CG . LEU A 1 11 ? 0.324 4.753 -2.795 1.00 95.50 11 A 1 ATOM 82 C CD1 . LEU A 1 11 ? -0.187 3.989 -4.007 1.00 92.51 11 A 1 ATOM 83 C CD2 . LEU A 1 11 ? -0.392 6.079 -2.666 1.00 93.39 11 A 1 ATOM 84 N N . LEU A 1 12 ? 2.527 4.293 0.371 1.00 98.50 12 A 1 ATOM 85 C CA . LEU A 1 12 ? 3.651 5.059 0.890 1.00 98.38 12 A 1 ATOM 86 C C . LEU A 1 12 ? 4.842 4.154 1.156 1.00 98.46 12 A 1 ATOM 87 O O . LEU A 1 12 ? 5.991 4.568 0.984 1.00 98.29 12 A 1 ATOM 88 C CB . LEU A 1 12 ? 3.244 5.783 2.172 1.00 98.25 12 A 1 ATOM 89 C CG . LEU A 1 12 ? 2.568 7.134 1.955 1.00 95.15 12 A 1 ATOM 90 C CD1 . LEU A 1 12 ? 1.690 7.490 3.143 1.00 92.58 12 A 1 ATOM 91 C CD2 . LEU A 1 12 ? 3.607 8.216 1.723 1.00 93.15 12 A 1 ATOM 92 N N . TRP A 1 13 ? 4.561 2.939 1.559 1.00 98.32 13 A 1 ATOM 93 C CA . TRP A 1 13 ? 5.608 1.969 1.844 1.00 98.27 13 A 1 ATOM 94 C C . TRP A 1 13 ? 6.385 1.628 0.580 1.00 98.38 13 A 1 ATOM 95 O O . TRP A 1 13 ? 7.612 1.718 0.562 1.00 98.18 13 A 1 ATOM 96 C CB . TRP A 1 13 ? 5.000 0.703 2.436 1.00 98.11 13 A 1 ATOM 97 C CG . TRP A 1 13 ? 6.018 -0.297 2.870 1.00 97.11 13 A 1 ATOM 98 C CD1 . TRP A 1 13 ? 6.636 -0.345 4.083 1.00 94.94 13 A 1 ATOM 99 C CD2 . TRP A 1 13 ? 6.548 -1.390 2.099 1.00 96.07 13 A 1 ATOM 100 N NE1 . TRP A 1 13 ? 7.519 -1.402 4.111 1.00 93.53 13 A 1 ATOM 101 C CE2 . TRP A 1 13 ? 7.482 -2.054 2.913 1.00 95.37 13 A 1 ATOM 102 C CE3 . TRP A 1 13 ? 6.317 -1.858 0.812 1.00 94.12 13 A 1 ATOM 103 C CZ2 . TRP A 1 13 ? 8.185 -3.173 2.458 1.00 94.49 13 A 1 ATOM 104 C CZ3 . TRP A 1 13 ? 7.017 -2.974 0.362 1.00 91.73 13 A 1 ATOM 105 C CH2 . TRP A 1 13 ? 7.944 -3.614 1.187 1.00 91.89 13 A 1 ATOM 106 N N . LEU A 1 14 ? 5.668 1.267 -0.457 1.00 98.31 14 A 1 ATOM 107 C CA . LEU A 1 14 ? 6.298 0.921 -1.725 1.00 98.15 14 A 1 ATOM 108 C C . LEU A 1 14 ? 6.971 2.128 -2.361 1.00 98.27 14 A 1 ATOM 109 O O . LEU A 1 14 ? 8.054 2.009 -2.940 1.00 97.88 14 A 1 ATOM 110 C CB . LEU A 1 14 ? 5.261 0.340 -2.684 1.00 97.87 14 A 1 ATOM 111 C CG . LEU A 1 14 ? 4.789 -1.068 -2.338 1.00 94.81 14 A 1 ATOM 112 C CD1 . LEU A 1 14 ? 3.387 -1.309 -2.861 1.00 91.78 14 A 1 ATOM 113 C CD2 . LEU A 1 14 ? 5.754 -2.100 -2.908 1.00 91.75 14 A 1 ATOM 114 N N . SER A 1 15 ? 6.330 3.275 -2.260 1.00 98.48 15 A 1 ATOM 115 C CA . SER A 1 15 ? 6.856 4.508 -2.826 1.00 98.35 15 A 1 ATOM 116 C C . SER A 1 15 ? 8.066 5.011 -2.049 1.00 98.35 15 A 1 ATOM 117 O O . SER A 1 15 ? 9.078 5.395 -2.635 1.00 97.78 15 A 1 ATOM 118 C CB . SER A 1 15 ? 5.770 5.579 -2.855 1.00 97.90 15 A 1 ATOM 119 O OG . SER A 1 15 ? 6.017 6.516 -3.869 1.00 91.53 15 A 1 ATOM 120 N N . CYS A 1 16 ? 7.957 5.017 -0.738 1.00 98.21 16 A 1 ATOM 121 C CA . CYS A 1 16 ? 9.034 5.493 0.122 1.00 98.05 16 A 1 ATOM 122 C C . CYS A 1 16 ? 10.195 4.507 0.172 1.00 98.17 16 A 1 ATOM 123 O O . CYS A 1 16 ? 11.352 4.910 0.266 1.00 97.17 16 A 1 ATOM 124 C CB . CYS A 1 16 ? 8.513 5.758 1.536 1.00 97.29 16 A 1 ATOM 125 S SG . CYS A 1 16 ? 7.847 7.425 1.747 1.00 92.46 16 A 1 ATOM 126 N N . CYS A 1 17 ? 9.878 3.229 0.112 1.00 97.77 17 A 1 ATOM 127 C CA . CYS A 1 17 ? 10.896 2.185 0.165 1.00 97.62 17 A 1 ATOM 128 C C . CYS A 1 17 ? 11.859 2.286 -1.013 1.00 97.67 17 A 1 ATOM 129 O O . CYS A 1 17 ? 13.070 2.158 -0.849 1.00 96.21 17 A 1 ATOM 130 C CB . CYS A 1 17 ? 10.240 0.805 0.190 1.00 96.76 17 A 1 ATOM 131 S SG . CYS A 1 17 ? 11.049 -0.337 1.317 1.00 92.85 17 A 1 ATOM 132 N N . VAL A 1 18 ? 11.310 2.519 -2.188 1.00 97.55 18 A 1 ATOM 133 C CA . VAL A 1 18 ? 12.116 2.626 -3.399 1.00 97.24 18 A 1 ATOM 134 C C . VAL A 1 18 ? 12.753 4.006 -3.532 1.00 97.29 18 A 1 ATOM 135 O O . VAL A 1 18 ? 13.783 4.160 -4.197 1.00 95.87 18 A 1 ATOM 136 C CB . VAL A 1 18 ? 11.274 2.317 -4.645 1.00 96.08 18 A 1 ATOM 137 C CG1 . VAL A 1 18 ? 12.149 2.233 -5.883 1.00 91.62 18 A 1 ATOM 138 C CG2 . VAL A 1 18 ? 10.495 1.032 -4.458 1.00 92.23 18 A 1 ATOM 139 N N . SER A 1 19 ? 12.145 4.997 -2.907 1.00 96.86 19 A 1 ATOM 140 C CA . SER A 1 19 ? 12.640 6.371 -2.959 1.00 96.15 19 A 1 ATOM 141 C C . SER A 1 19 ? 13.938 6.541 -2.179 1.00 94.91 19 A 1 ATOM 142 O O . SER A 1 19 ? 14.991 6.802 -2.752 1.00 88.89 19 A 1 ATOM 143 C CB . SER A 1 19 ? 11.586 7.341 -2.434 1.00 94.24 19 A 1 ATOM 144 O OG . SER A 1 19 ? 11.099 8.166 -3.465 1.00 80.25 19 A 1 ATOM 145 N N . ALA A 1 20 ? 13.851 6.404 -0.863 1.00 93.89 20 A 1 ATOM 146 C CA . ALA A 1 20 ? 15.002 6.580 0.020 1.00 91.80 20 A 1 ATOM 147 C C . ALA A 1 20 ? 15.923 5.363 -0.019 1.00 89.52 20 A 1 ATOM 148 O O . ALA A 1 20 ? 15.661 4.391 0.701 1.00 82.94 20 A 1 ATOM 149 C CB . ALA A 1 20 ? 14.544 6.849 1.438 1.00 87.60 20 A 1 ATOM 150 O OXT . ALA A 1 20 ? 16.917 5.408 -0.756 1.00 80.89 20 A 1 #