# 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_spkb22883 # _entry.id spkb22883 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-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" "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 LYS 2 1 n THR 3 1 n VAL 4 1 n GLN 5 1 n PHE 6 1 n PHE 7 1 n PHE 8 1 n LEU 9 1 n PHE 10 1 n CYS 11 1 n CYS 12 1 n TRP 13 1 n LYS 14 1 n ALA 15 1 n ILE 16 1 n CYS 17 1 n CYS 18 1 n ASN 19 1 n SER 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 @ 2025-07-09 21:55:12)" _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 84.26 _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 72.79 1 1 A LYS 2 2 75.84 1 2 A THR 3 2 83.11 1 3 A VAL 4 2 86.76 1 4 A GLN 5 2 80.77 1 5 A PHE 6 2 86.07 1 6 A PHE 7 2 85.53 1 7 A PHE 8 2 87.13 1 8 A LEU 9 2 87.11 1 9 A PHE 10 2 86.11 1 10 A CYS 11 2 90.99 1 11 A CYS 12 2 90.76 1 12 A TRP 13 2 86.07 1 13 A LYS 14 2 86.07 1 14 A ALA 15 2 91.99 1 15 A ILE 16 2 87.41 1 16 A CYS 17 2 88.52 1 17 A CYS 18 2 87.83 1 18 A ASN 19 2 79.16 1 19 A SER 20 2 68.57 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 LYS . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n CYS . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n TRP . 13 A 13 A 14 1 n LYS . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n CYS . 18 A 18 A 19 1 n ASN . 19 A 19 A 20 1 n SER . 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 ? -11.488 -4.374 4.699 1.00 77.16 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.247 -3.620 4.965 1.00 81.66 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.260 -3.652 3.789 1.00 83.37 1 A 1 ATOM 4 O O . MET A 1 1 ? -8.072 -3.505 3.993 1.00 78.28 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.586 -4.149 6.245 1.00 74.88 1 A 1 ATOM 6 C CG . MET A 1 1 ? -10.247 -3.623 7.519 1.00 68.27 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.562 -4.406 8.989 1.00 62.13 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.860 -3.131 10.211 1.00 56.58 1 A 1 ATOM 9 N N . LYS A 1 2 ? -9.735 -3.863 2.570 1.00 81.00 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -8.835 -3.964 1.404 1.00 84.17 2 A 1 ATOM 11 C C . LYS A 1 2 ? -8.198 -2.616 1.048 1.00 85.29 2 A 1 ATOM 12 O O . LYS A 1 2 ? -7.032 -2.564 0.670 1.00 83.13 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -9.591 -4.568 0.208 1.00 81.03 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -9.923 -6.050 0.435 1.00 73.51 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -10.573 -6.677 -0.797 1.00 70.24 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -10.814 -8.169 -0.574 1.00 65.29 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -11.432 -8.816 -1.751 1.00 58.92 2 A 1 ATOM 18 N N . THR A 1 3 ? -8.920 -1.534 1.250 1.00 83.15 3 A 1 ATOM 19 C CA . THR A 1 3 ? -8.434 -0.177 0.968 1.00 86.90 3 A 1 ATOM 20 C C . THR A 1 3 ? -7.241 0.206 1.844 1.00 88.30 3 A 1 ATOM 21 O O . THR A 1 3 ? -6.343 0.911 1.394 1.00 86.55 3 A 1 ATOM 22 C CB . THR A 1 3 ? -9.567 0.834 1.180 1.00 85.89 3 A 1 ATOM 23 O OG1 . THR A 1 3 ? -10.807 0.277 0.784 1.00 76.99 3 A 1 ATOM 24 C CG2 . THR A 1 3 ? -9.350 2.103 0.378 1.00 73.97 3 A 1 ATOM 25 N N . VAL A 1 4 ? -7.216 -0.283 3.074 1.00 89.82 4 A 1 ATOM 26 C CA . VAL A 1 4 ? -6.115 -0.024 4.018 1.00 89.50 4 A 1 ATOM 27 C C . VAL A 1 4 ? -4.819 -0.667 3.524 1.00 90.10 4 A 1 ATOM 28 O O . VAL A 1 4 ? -3.747 -0.076 3.638 1.00 88.65 4 A 1 ATOM 29 C CB . VAL A 1 4 ? -6.468 -0.535 5.428 1.00 87.86 4 A 1 ATOM 30 C CG1 . VAL A 1 4 ? -5.343 -0.283 6.425 1.00 79.72 4 A 1 ATOM 31 C CG2 . VAL A 1 4 ? -7.731 0.147 5.952 1.00 81.65 4 A 1 ATOM 32 N N . GLN A 1 5 ? -4.924 -1.845 2.931 1.00 87.26 5 A 1 ATOM 33 C CA . GLN A 1 5 ? -3.762 -2.540 2.374 1.00 88.02 5 A 1 ATOM 34 C C . GLN A 1 5 ? -3.180 -1.764 1.186 1.00 88.77 5 A 1 ATOM 35 O O . GLN A 1 5 ? -1.958 -1.638 1.076 1.00 87.36 5 A 1 ATOM 36 C CB . GLN A 1 5 ? -4.180 -3.965 1.991 1.00 86.84 5 A 1 ATOM 37 C CG . GLN A 1 5 ? -2.961 -4.859 1.767 1.00 78.39 5 A 1 ATOM 38 C CD . GLN A 1 5 ? -3.348 -6.300 1.456 1.00 75.15 5 A 1 ATOM 39 O OE1 . GLN A 1 5 ? -4.496 -6.702 1.476 1.00 69.91 5 A 1 ATOM 40 N NE2 . GLN A 1 5 ? -2.386 -7.144 1.155 1.00 65.22 5 A 1 ATOM 41 N N . PHE A 1 6 ? -4.042 -1.190 0.348 1.00 89.35 6 A 1 ATOM 42 C CA . PHE A 1 6 ? -3.602 -0.315 -0.739 1.00 90.05 6 A 1 ATOM 43 C C . PHE A 1 6 ? -2.934 0.952 -0.202 1.00 91.05 6 A 1 ATOM 44 O O . PHE A 1 6 ? -1.914 1.383 -0.739 1.00 90.19 6 A 1 ATOM 45 C CB . PHE A 1 6 ? -4.786 0.042 -1.636 1.00 89.54 6 A 1 ATOM 46 C CG . PHE A 1 6 ? -5.152 -1.064 -2.596 1.00 87.31 6 A 1 ATOM 47 C CD1 . PHE A 1 6 ? -4.358 -1.297 -3.727 1.00 83.63 6 A 1 ATOM 48 C CD2 . PHE A 1 6 ? -6.275 -1.865 -2.367 1.00 83.47 6 A 1 ATOM 49 C CE1 . PHE A 1 6 ? -4.681 -2.322 -4.620 1.00 81.51 6 A 1 ATOM 50 C CE2 . PHE A 1 6 ? -6.603 -2.896 -3.257 1.00 80.30 6 A 1 ATOM 51 C CZ . PHE A 1 6 ? -5.802 -3.123 -4.384 1.00 80.41 6 A 1 ATOM 52 N N . PHE A 1 7 ? -3.465 1.517 0.886 1.00 89.66 7 A 1 ATOM 53 C CA . PHE A 1 7 ? -2.860 2.668 1.555 1.00 89.65 7 A 1 ATOM 54 C C . PHE A 1 7 ? -1.468 2.332 2.088 1.00 90.36 7 A 1 ATOM 55 O O . PHE A 1 7 ? -0.540 3.116 1.915 1.00 89.57 7 A 1 ATOM 56 C CB . PHE A 1 7 ? -3.772 3.149 2.687 1.00 89.68 7 A 1 ATOM 57 C CG . PHE A 1 7 ? -4.308 4.538 2.437 1.00 87.06 7 A 1 ATOM 58 C CD1 . PHE A 1 7 ? -3.561 5.660 2.826 1.00 83.03 7 A 1 ATOM 59 C CD2 . PHE A 1 7 ? -5.541 4.712 1.796 1.00 82.72 7 A 1 ATOM 60 C CE1 . PHE A 1 7 ? -4.046 6.950 2.578 1.00 79.80 7 A 1 ATOM 61 C CE2 . PHE A 1 7 ? -6.029 6.003 1.547 1.00 79.37 7 A 1 ATOM 62 C CZ . PHE A 1 7 ? -5.281 7.121 1.940 1.00 79.88 7 A 1 ATOM 63 N N . PHE A 1 8 ? -1.317 1.150 2.690 1.00 90.59 8 A 1 ATOM 64 C CA . PHE A 1 8 ? -0.030 0.698 3.219 1.00 90.88 8 A 1 ATOM 65 C C . PHE A 1 8 ? 0.992 0.496 2.095 1.00 91.29 8 A 1 ATOM 66 O O . PHE A 1 8 ? 2.126 0.963 2.193 1.00 90.07 8 A 1 ATOM 67 C CB . PHE A 1 8 ? -0.238 -0.593 4.016 1.00 90.59 8 A 1 ATOM 68 C CG . PHE A 1 8 ? 0.568 -0.615 5.291 1.00 88.38 8 A 1 ATOM 69 C CD1 . PHE A 1 8 ? 1.898 -1.046 5.291 1.00 84.97 8 A 1 ATOM 70 C CD2 . PHE A 1 8 ? -0.019 -0.180 6.489 1.00 84.46 8 A 1 ATOM 71 C CE1 . PHE A 1 8 ? 2.641 -1.046 6.479 1.00 82.78 8 A 1 ATOM 72 C CE2 . PHE A 1 8 ? 0.720 -0.182 7.679 1.00 81.93 8 A 1 ATOM 73 C CZ . PHE A 1 8 ? 2.049 -0.616 7.674 1.00 82.45 8 A 1 ATOM 74 N N . LEU A 1 9 ? 0.559 -0.136 1.007 1.00 90.58 9 A 1 ATOM 75 C CA . LEU A 1 9 ? 1.405 -0.320 -0.174 1.00 91.00 9 A 1 ATOM 76 C C . LEU A 1 9 ? 1.814 1.028 -0.771 1.00 91.77 9 A 1 ATOM 77 O O . LEU A 1 9 ? 2.987 1.243 -1.064 1.00 90.70 9 A 1 ATOM 78 C CB . LEU A 1 9 ? 0.671 -1.173 -1.220 1.00 90.48 9 A 1 ATOM 79 C CG . LEU A 1 9 ? 1.447 -2.447 -1.577 1.00 83.00 9 A 1 ATOM 80 C CD1 . LEU A 1 9 ? 0.721 -3.689 -1.063 1.00 78.88 9 A 1 ATOM 81 C CD2 . LEU A 1 9 ? 1.614 -2.572 -3.084 1.00 80.44 9 A 1 ATOM 82 N N . PHE A 1 10 ? 0.854 1.938 -0.905 1.00 90.00 10 A 1 ATOM 83 C CA . PHE A 1 10 ? 1.102 3.270 -1.451 1.00 90.00 10 A 1 ATOM 84 C C . PHE A 1 10 ? 2.016 4.086 -0.533 1.00 91.28 10 A 1 ATOM 85 O O . PHE A 1 10 ? 2.900 4.796 -1.010 1.00 89.88 10 A 1 ATOM 86 C CB . PHE A 1 10 ? -0.240 3.969 -1.658 1.00 89.22 10 A 1 ATOM 87 C CG . PHE A 1 10 ? -0.136 5.179 -2.550 1.00 86.37 10 A 1 ATOM 88 C CD1 . PHE A 1 10 ? 0.044 6.458 -2.008 1.00 83.76 10 A 1 ATOM 89 C CD2 . PHE A 1 10 ? -0.208 5.019 -3.940 1.00 83.55 10 A 1 ATOM 90 C CE1 . PHE A 1 10 ? 0.144 7.571 -2.849 1.00 81.49 10 A 1 ATOM 91 C CE2 . PHE A 1 10 ? -0.110 6.135 -4.783 1.00 80.86 10 A 1 ATOM 92 C CZ . PHE A 1 10 ? 0.064 7.408 -4.235 1.00 80.84 10 A 1 ATOM 93 N N . CYS A 1 11 ? 1.836 3.947 0.766 1.00 92.97 11 A 1 ATOM 94 C CA . CYS A 1 11 ? 2.662 4.632 1.757 1.00 93.06 11 A 1 ATOM 95 C C . CYS A 1 11 ? 4.118 4.177 1.673 1.00 93.58 11 A 1 ATOM 96 O O . CYS A 1 11 ? 5.024 5.007 1.690 1.00 91.28 11 A 1 ATOM 97 C CB . CYS A 1 11 ? 2.074 4.391 3.150 1.00 91.43 11 A 1 ATOM 98 S SG . CYS A 1 11 ? 2.517 5.698 4.308 1.00 83.63 11 A 1 ATOM 99 N N . CYS A 1 12 ? 4.344 2.883 1.531 1.00 92.08 12 A 1 ATOM 100 C CA . CYS A 1 12 ? 5.708 2.372 1.365 1.00 92.68 12 A 1 ATOM 101 C C . CYS A 1 12 ? 6.290 2.726 -0.005 1.00 93.20 12 A 1 ATOM 102 O O . CYS A 1 12 ? 7.462 3.076 -0.098 1.00 91.20 12 A 1 ATOM 103 C CB . CYS A 1 12 ? 5.731 0.865 1.606 1.00 90.90 12 A 1 ATOM 104 S SG . CYS A 1 12 ? 7.417 0.278 1.885 1.00 84.53 12 A 1 ATOM 105 N N . TRP A 1 13 ? 5.464 2.680 -1.028 1.00 91.95 13 A 1 ATOM 106 C CA . TRP A 1 13 ? 5.892 3.038 -2.390 1.00 92.70 13 A 1 ATOM 107 C C . TRP A 1 13 ? 6.314 4.513 -2.487 1.00 93.36 13 A 1 ATOM 108 O O . TRP A 1 13 ? 7.264 4.844 -3.192 1.00 91.04 13 A 1 ATOM 109 C CB . TRP A 1 13 ? 4.751 2.719 -3.356 1.00 92.28 13 A 1 ATOM 110 C CG . TRP A 1 13 ? 5.191 2.310 -4.726 1.00 87.69 13 A 1 ATOM 111 C CD1 . TRP A 1 13 ? 6.260 1.538 -5.007 1.00 84.03 13 A 1 ATOM 112 C CD2 . TRP A 1 13 ? 4.564 2.617 -6.004 1.00 87.46 13 A 1 ATOM 113 N NE1 . TRP A 1 13 ? 6.335 1.342 -6.378 1.00 82.14 13 A 1 ATOM 114 C CE2 . TRP A 1 13 ? 5.308 1.975 -7.021 1.00 86.01 13 A 1 ATOM 115 C CE3 . TRP A 1 13 ? 3.433 3.364 -6.388 1.00 82.39 13 A 1 ATOM 116 C CZ2 . TRP A 1 13 ? 4.940 2.070 -8.383 1.00 81.46 13 A 1 ATOM 117 C CZ3 . TRP A 1 13 ? 3.063 3.455 -7.739 1.00 76.50 13 A 1 ATOM 118 C CH2 . TRP A 1 13 ? 3.816 2.814 -8.722 1.00 75.97 13 A 1 ATOM 119 N N . LYS A 1 14 ? 5.643 5.368 -1.725 1.00 92.04 14 A 1 ATOM 120 C CA . LYS A 1 14 ? 5.985 6.792 -1.604 1.00 91.80 14 A 1 ATOM 121 C C . LYS A 1 14 ? 7.008 7.064 -0.491 1.00 91.16 14 A 1 ATOM 122 O O . LYS A 1 14 ? 7.356 8.219 -0.268 1.00 89.95 14 A 1 ATOM 123 C CB . LYS A 1 14 ? 4.696 7.595 -1.392 1.00 91.19 14 A 1 ATOM 124 C CG . LYS A 1 14 ? 3.822 7.685 -2.642 1.00 85.66 14 A 1 ATOM 125 C CD . LYS A 1 14 ? 4.426 8.650 -3.663 1.00 82.68 14 A 1 ATOM 126 C CE . LYS A 1 14 ? 3.447 8.914 -4.805 1.00 79.29 14 A 1 ATOM 127 N NZ . LYS A 1 14 ? 3.947 9.958 -5.715 1.00 70.86 14 A 1 ATOM 128 N N . ALA A 1 15 ? 7.482 6.025 0.193 1.00 92.50 15 A 1 ATOM 129 C CA . ALA A 1 15 ? 8.393 6.107 1.337 1.00 92.93 15 A 1 ATOM 130 C C . ALA A 1 15 ? 7.863 7.006 2.471 1.00 93.20 15 A 1 ATOM 131 O O . ALA A 1 15 ? 8.644 7.613 3.197 1.00 89.85 15 A 1 ATOM 132 C CB . ALA A 1 15 ? 9.796 6.495 0.862 1.00 91.47 15 A 1 ATOM 133 N N . ILE A 1 16 ? 6.552 7.098 2.617 1.00 90.82 16 A 1 ATOM 134 C CA . ILE A 1 16 ? 5.922 7.903 3.676 1.00 89.94 16 A 1 ATOM 135 C C . ILE A 1 16 ? 5.937 7.142 5.002 1.00 89.79 16 A 1 ATOM 136 O O . ILE A 1 16 ? 6.328 7.697 6.028 1.00 86.99 16 A 1 ATOM 137 C CB . ILE A 1 16 ? 4.484 8.303 3.269 1.00 89.75 16 A 1 ATOM 138 C CG1 . ILE A 1 16 ? 4.480 9.157 1.988 1.00 86.05 16 A 1 ATOM 139 C CG2 . ILE A 1 16 ? 3.802 9.078 4.412 1.00 84.92 16 A 1 ATOM 140 C CD1 . ILE A 1 16 ? 3.094 9.294 1.352 1.00 80.98 16 A 1 ATOM 141 N N . CYS A 1 17 ? 5.543 5.863 4.982 1.00 91.31 17 A 1 ATOM 142 C CA . CYS A 1 17 ? 5.538 5.022 6.178 1.00 90.90 17 A 1 ATOM 143 C C . CYS A 1 17 ? 6.819 4.202 6.322 1.00 91.34 17 A 1 ATOM 144 O O . CYS A 1 17 ? 7.120 3.739 7.417 1.00 88.43 17 A 1 ATOM 145 C CB . CYS A 1 17 ? 4.325 4.090 6.149 1.00 88.45 17 A 1 ATOM 146 S SG . CYS A 1 17 ? 2.723 4.916 6.210 1.00 80.68 17 A 1 ATOM 147 N N . CYS A 1 18 ? 7.565 4.017 5.253 1.00 89.61 18 A 1 ATOM 148 C CA . CYS A 1 18 ? 8.786 3.217 5.291 1.00 89.39 18 A 1 ATOM 149 C C . CYS A 1 18 ? 9.996 4.008 5.822 1.00 89.81 18 A 1 ATOM 150 O O . CYS A 1 18 ? 10.976 3.398 6.236 1.00 86.89 18 A 1 ATOM 151 C CB . CYS A 1 18 ? 9.028 2.585 3.905 1.00 88.01 18 A 1 ATOM 152 S SG . CYS A 1 18 ? 7.927 1.150 3.633 1.00 83.30 18 A 1 ATOM 153 N N . ASN A 1 19 ? 9.930 5.316 5.836 1.00 83.87 19 A 1 ATOM 154 C CA . ASN A 1 19 ? 10.994 6.158 6.397 1.00 83.80 19 A 1 ATOM 155 C C . ASN A 1 19 ? 10.655 6.716 7.788 1.00 82.27 19 A 1 ATOM 156 O O . ASN A 1 19 ? 11.534 7.285 8.435 1.00 78.08 19 A 1 ATOM 157 C CB . ASN A 1 19 ? 11.338 7.274 5.401 1.00 82.97 19 A 1 ATOM 158 C CG . ASN A 1 19 ? 10.376 8.456 5.404 1.00 77.67 19 A 1 ATOM 159 O OD1 . ASN A 1 19 ? 9.331 8.475 6.010 1.00 71.15 19 A 1 ATOM 160 N ND2 . ASN A 1 19 ? 10.729 9.513 4.704 1.00 73.46 19 A 1 ATOM 161 N N . SER A 1 20 ? 9.431 6.557 8.209 1.00 78.29 20 A 1 ATOM 162 C CA . SER A 1 20 ? 8.944 7.097 9.482 1.00 75.01 20 A 1 ATOM 163 C C . SER A 1 20 ? 8.734 5.998 10.514 1.00 69.56 20 A 1 ATOM 164 O O . SER A 1 20 ? 9.088 6.214 11.693 1.00 61.83 20 A 1 ATOM 165 C CB . SER A 1 20 ? 7.646 7.876 9.255 1.00 69.19 20 A 1 ATOM 166 O OG . SER A 1 20 ? 7.356 8.650 10.391 1.00 62.99 20 A 1 ATOM 167 O OXT . SER A 1 20 ? 8.210 4.934 10.110 1.00 63.13 20 A 1 #