# 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_spkb36035 # _entry.id spkb36035 # 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" "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" "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 ASN 2 1 n LYS 3 1 n VAL 4 1 n LYS 5 1 n CYS 6 1 n TYR 7 1 n VAL 8 1 n LEU 9 1 n PHE 10 1 n THR 11 1 n ALA 12 1 n LEU 13 1 n LEU 14 1 n SER 15 1 n SER 16 1 n LEU 17 1 n CYS 18 1 n ALA 19 1 n TYR 20 1 n GLY 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 @ 2025-07-10 02:01:42)" _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 93.27 _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 82.65 1 1 A ASN 2 2 90.18 1 2 A LYS 3 2 90.83 1 3 A VAL 4 2 95.66 1 4 A LYS 5 2 89.96 1 5 A CYS 6 2 94.02 1 6 A TYR 7 2 93.51 1 7 A VAL 8 2 96.81 1 8 A LEU 9 2 93.43 1 9 A PHE 10 2 94.76 1 10 A THR 11 2 96.50 1 11 A ALA 12 2 97.94 1 12 A LEU 13 2 94.59 1 13 A LEU 14 2 94.49 1 14 A SER 15 2 95.91 1 15 A SER 16 2 96.47 1 16 A LEU 17 2 94.70 1 17 A CYS 18 2 96.25 1 18 A ALA 19 2 97.33 1 19 A TYR 20 2 91.33 1 20 A GLY 21 2 86.79 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 ASN . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n CYS . 6 A 6 A 7 1 n TYR . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n THR . 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 SER . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n CYS . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n TYR . 20 A 20 A 21 1 n GLY . 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 ? 5.072 6.785 13.031 1.00 89.77 1 A 1 ATOM 2 C CA . MET A 1 1 ? 4.479 6.497 11.708 1.00 92.16 1 A 1 ATOM 3 C C . MET A 1 1 ? 3.051 6.004 11.913 1.00 92.87 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.852 5.006 12.607 1.00 89.18 1 A 1 ATOM 5 C CB . MET A 1 1 ? 5.323 5.459 10.968 1.00 85.57 1 A 1 ATOM 6 C CG . MET A 1 1 ? 5.403 5.731 9.472 1.00 77.35 1 A 1 ATOM 7 S SD . MET A 1 1 ? 7.021 5.330 8.770 1.00 70.21 1 A 1 ATOM 8 C CE . MET A 1 1 ? 6.763 3.634 8.258 1.00 64.07 1 A 1 ATOM 9 N N . ASN A 1 2 ? 2.063 6.709 11.398 1.00 93.30 2 A 1 ATOM 10 C CA . ASN A 1 2 ? 0.660 6.348 11.609 1.00 94.52 2 A 1 ATOM 11 C C . ASN A 1 2 ? 0.294 5.105 10.792 1.00 95.24 2 A 1 ATOM 12 O O . ASN A 1 2 ? 0.639 5.010 9.613 1.00 95.03 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -0.248 7.530 11.256 1.00 92.93 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -0.619 8.375 12.459 1.00 87.47 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -0.421 7.995 13.599 1.00 82.13 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -1.188 9.537 12.221 1.00 80.81 2 A 1 ATOM 17 N N . LYS A 1 3 ? -0.434 4.163 11.408 1.00 96.56 3 A 1 ATOM 18 C CA . LYS A 1 3 ? -0.878 2.923 10.750 1.00 96.97 3 A 1 ATOM 19 C C . LYS A 1 3 ? -1.703 3.220 9.489 1.00 97.04 3 A 1 ATOM 20 O O . LYS A 1 3 ? -1.585 2.508 8.493 1.00 96.46 3 A 1 ATOM 21 C CB . LYS A 1 3 ? -1.691 2.073 11.737 1.00 96.22 3 A 1 ATOM 22 C CG . LYS A 1 3 ? -0.843 1.520 12.888 1.00 90.47 3 A 1 ATOM 23 C CD . LYS A 1 3 ? -1.686 0.647 13.818 1.00 87.18 3 A 1 ATOM 24 C CE . LYS A 1 3 ? -0.832 0.070 14.944 1.00 80.95 3 A 1 ATOM 25 N NZ . LYS A 1 3 ? -1.640 -0.769 15.867 1.00 75.63 3 A 1 ATOM 26 N N . VAL A 1 4 ? -2.491 4.284 9.520 1.00 96.75 4 A 1 ATOM 27 C CA . VAL A 1 4 ? -3.327 4.714 8.388 1.00 97.12 4 A 1 ATOM 28 C C . VAL A 1 4 ? -2.464 5.104 7.183 1.00 97.40 4 A 1 ATOM 29 O O . VAL A 1 4 ? -2.772 4.729 6.050 1.00 96.86 4 A 1 ATOM 30 C CB . VAL A 1 4 ? -4.234 5.882 8.813 1.00 96.71 4 A 1 ATOM 31 C CG1 . VAL A 1 4 ? -5.116 6.349 7.657 1.00 92.28 4 A 1 ATOM 32 C CG2 . VAL A 1 4 ? -5.129 5.473 9.981 1.00 92.47 4 A 1 ATOM 33 N N . LYS A 1 5 ? -1.368 5.821 7.418 1.00 96.07 5 A 1 ATOM 34 C CA . LYS A 1 5 ? -0.454 6.229 6.343 1.00 96.09 5 A 1 ATOM 35 C C . LYS A 1 5 ? 0.204 5.013 5.688 1.00 96.35 5 A 1 ATOM 36 O O . LYS A 1 5 ? 0.293 4.947 4.463 1.00 96.30 5 A 1 ATOM 37 C CB . LYS A 1 5 ? 0.595 7.207 6.888 1.00 96.11 5 A 1 ATOM 38 C CG . LYS A 1 5 ? 0.588 8.534 6.139 1.00 90.63 5 A 1 ATOM 39 C CD . LYS A 1 5 ? 1.650 9.490 6.665 1.00 86.16 5 A 1 ATOM 40 C CE . LYS A 1 5 ? 1.609 10.805 5.888 1.00 79.94 5 A 1 ATOM 41 N NZ . LYS A 1 5 ? 2.649 11.760 6.357 1.00 72.03 5 A 1 ATOM 42 N N . CYS A 1 6 ? 0.618 4.035 6.487 1.00 95.09 6 A 1 ATOM 43 C CA . CYS A 1 6 ? 1.194 2.796 5.972 1.00 95.54 6 A 1 ATOM 44 C C . CYS A 1 6 ? 0.172 2.009 5.151 1.00 96.30 6 A 1 ATOM 45 O O . CYS A 1 6 ? 0.508 1.492 4.091 1.00 95.83 6 A 1 ATOM 46 C CB . CYS A 1 6 ? 1.711 1.950 7.136 1.00 94.22 6 A 1 ATOM 47 S SG . CYS A 1 6 ? 3.140 2.737 7.918 1.00 87.11 6 A 1 ATOM 48 N N . TYR A 1 7 ? -1.065 1.949 5.615 1.00 95.54 7 A 1 ATOM 49 C CA . TYR A 1 7 ? -2.135 1.242 4.914 1.00 96.04 7 A 1 ATOM 50 C C . TYR A 1 7 ? -2.437 1.887 3.557 1.00 96.60 7 A 1 ATOM 51 O O . TYR A 1 7 ? -2.550 1.184 2.550 1.00 96.33 7 A 1 ATOM 52 C CB . TYR A 1 7 ? -3.383 1.210 5.803 1.00 96.37 7 A 1 ATOM 53 C CG . TYR A 1 7 ? -4.497 0.392 5.192 1.00 94.28 7 A 1 ATOM 54 C CD1 . TYR A 1 7 ? -5.532 1.015 4.482 1.00 90.91 7 A 1 ATOM 55 C CD2 . TYR A 1 7 ? -4.487 -1.002 5.310 1.00 91.48 7 A 1 ATOM 56 C CE1 . TYR A 1 7 ? -6.543 0.254 3.896 1.00 90.62 7 A 1 ATOM 57 C CE2 . TYR A 1 7 ? -5.498 -1.769 4.723 1.00 91.25 7 A 1 ATOM 58 C CZ . TYR A 1 7 ? -6.522 -1.133 4.019 1.00 92.11 7 A 1 ATOM 59 O OH . TYR A 1 7 ? -7.511 -1.886 3.435 1.00 90.55 7 A 1 ATOM 60 N N . VAL A 1 8 ? -2.531 3.213 3.505 1.00 97.24 8 A 1 ATOM 61 C CA . VAL A 1 8 ? -2.792 3.945 2.256 1.00 97.45 8 A 1 ATOM 62 C C . VAL A 1 8 ? -1.652 3.730 1.256 1.00 97.59 8 A 1 ATOM 63 O O . VAL A 1 8 ? -1.905 3.450 0.081 1.00 97.39 8 A 1 ATOM 64 C CB . VAL A 1 8 ? -3.015 5.445 2.542 1.00 97.37 8 A 1 ATOM 65 C CG1 . VAL A 1 8 ? -3.089 6.267 1.256 1.00 95.44 8 A 1 ATOM 66 C CG2 . VAL A 1 8 ? -4.319 5.645 3.310 1.00 95.17 8 A 1 ATOM 67 N N . LEU A 1 9 ? -0.407 3.817 1.715 1.00 96.75 9 A 1 ATOM 68 C CA . LEU A 1 9 ? 0.756 3.584 0.858 1.00 96.68 9 A 1 ATOM 69 C C . LEU A 1 9 ? 0.789 2.143 0.346 1.00 96.96 9 A 1 ATOM 70 O O . LEU A 1 9 ? 1.051 1.912 -0.838 1.00 97.12 9 A 1 ATOM 71 C CB . LEU A 1 9 ? 2.036 3.910 1.638 1.00 96.68 9 A 1 ATOM 72 C CG . LEU A 1 9 ? 2.304 5.406 1.792 1.00 89.71 9 A 1 ATOM 73 C CD1 . LEU A 1 9 ? 3.387 5.635 2.842 1.00 86.10 9 A 1 ATOM 74 C CD2 . LEU A 1 9 ? 2.762 6.024 0.469 1.00 87.41 9 A 1 ATOM 75 N N . PHE A 1 10 ? 0.500 1.169 1.210 1.00 96.81 10 A 1 ATOM 76 C CA . PHE A 1 10 ? 0.479 -0.240 0.838 1.00 96.80 10 A 1 ATOM 77 C C . PHE A 1 10 ? -0.629 -0.531 -0.175 1.00 97.19 10 A 1 ATOM 78 O O . PHE A 1 10 ? -0.402 -1.231 -1.164 1.00 97.01 10 A 1 ATOM 79 C CB . PHE A 1 10 ? 0.316 -1.079 2.107 1.00 96.59 10 A 1 ATOM 80 C CG . PHE A 1 10 ? 0.654 -2.531 1.887 1.00 95.28 10 A 1 ATOM 81 C CD1 . PHE A 1 10 ? 1.986 -2.932 1.768 1.00 92.77 10 A 1 ATOM 82 C CD2 . PHE A 1 10 ? -0.360 -3.481 1.797 1.00 93.07 10 A 1 ATOM 83 C CE1 . PHE A 1 10 ? 2.304 -4.275 1.557 1.00 92.25 10 A 1 ATOM 84 C CE2 . PHE A 1 10 ? -0.046 -4.828 1.584 1.00 92.02 10 A 1 ATOM 85 C CZ . PHE A 1 10 ? 1.284 -5.221 1.465 1.00 92.58 10 A 1 ATOM 86 N N . THR A 1 11 ? -1.812 0.042 0.022 1.00 98.00 11 A 1 ATOM 87 C CA . THR A 1 11 ? -2.938 -0.122 -0.904 1.00 97.89 11 A 1 ATOM 88 C C . THR A 1 11 ? -2.628 0.515 -2.258 1.00 97.93 11 A 1 ATOM 89 O O . THR A 1 11 ? -2.947 -0.062 -3.297 1.00 97.39 11 A 1 ATOM 90 C CB . THR A 1 11 ? -4.213 0.486 -0.310 1.00 97.37 11 A 1 ATOM 91 O OG1 . THR A 1 11 ? -4.470 -0.083 0.958 1.00 93.97 11 A 1 ATOM 92 C CG2 . THR A 1 11 ? -5.430 0.197 -1.177 1.00 92.98 11 A 1 ATOM 93 N N . ALA A 1 12 ? -1.985 1.678 -2.269 1.00 98.22 12 A 1 ATOM 94 C CA . ALA A 1 12 ? -1.582 2.336 -3.513 1.00 98.09 12 A 1 ATOM 95 C C . ALA A 1 12 ? -0.583 1.475 -4.304 1.00 98.14 12 A 1 ATOM 96 O O . ALA A 1 12 ? -0.707 1.345 -5.524 1.00 97.45 12 A 1 ATOM 97 C CB . ALA A 1 12 ? -0.991 3.710 -3.185 1.00 97.81 12 A 1 ATOM 98 N N . LEU A 1 13 ? 0.376 0.845 -3.616 1.00 97.57 13 A 1 ATOM 99 C CA . LEU A 1 13 ? 1.339 -0.061 -4.249 1.00 97.18 13 A 1 ATOM 100 C C . LEU A 1 13 ? 0.648 -1.304 -4.810 1.00 97.40 13 A 1 ATOM 101 O O . LEU A 1 13 ? 0.927 -1.698 -5.947 1.00 96.97 13 A 1 ATOM 102 C CB . LEU A 1 13 ? 2.417 -0.449 -3.227 1.00 96.86 13 A 1 ATOM 103 C CG . LEU A 1 13 ? 3.440 0.657 -2.958 1.00 92.92 13 A 1 ATOM 104 C CD1 . LEU A 1 13 ? 4.242 0.331 -1.697 1.00 88.40 13 A 1 ATOM 105 C CD2 . LEU A 1 13 ? 4.410 0.812 -4.126 1.00 89.40 13 A 1 ATOM 106 N N . LEU A 1 14 ? -0.277 -1.899 -4.060 1.00 97.42 14 A 1 ATOM 107 C CA . LEU A 1 14 ? -1.044 -3.058 -4.522 1.00 97.20 14 A 1 ATOM 108 C C . LEU A 1 14 ? -1.920 -2.708 -5.723 1.00 97.62 14 A 1 ATOM 109 O O . LEU A 1 14 ? -1.984 -3.479 -6.682 1.00 97.45 14 A 1 ATOM 110 C CB . LEU A 1 14 ? -1.900 -3.595 -3.371 1.00 96.59 14 A 1 ATOM 111 C CG . LEU A 1 14 ? -1.112 -4.433 -2.362 1.00 92.21 14 A 1 ATOM 112 C CD1 . LEU A 1 14 ? -1.977 -4.680 -1.131 1.00 88.55 14 A 1 ATOM 113 C CD2 . LEU A 1 14 ? -0.703 -5.780 -2.953 1.00 88.90 14 A 1 ATOM 114 N N . SER A 1 15 ? -2.569 -1.549 -5.714 1.00 97.93 15 A 1 ATOM 115 C CA . SER A 1 15 ? -3.386 -1.085 -6.840 1.00 97.65 15 A 1 ATOM 116 C C . SER A 1 15 ? -2.532 -0.865 -8.092 1.00 97.80 15 A 1 ATOM 117 O O . SER A 1 15 ? -2.949 -1.219 -9.194 1.00 97.05 15 A 1 ATOM 118 C CB . SER A 1 15 ? -4.110 0.212 -6.472 1.00 96.75 15 A 1 ATOM 119 O OG . SER A 1 15 ? -5.051 -0.021 -5.448 1.00 88.28 15 A 1 ATOM 120 N N . SER A 1 16 ? -1.326 -0.326 -7.932 1.00 97.92 16 A 1 ATOM 121 C CA . SER A 1 16 ? -0.381 -0.155 -9.039 1.00 97.84 16 A 1 ATOM 122 C C . SER A 1 16 ? 0.048 -1.509 -9.610 1.00 98.03 16 A 1 ATOM 123 O O . SER A 1 16 ? 0.096 -1.681 -10.827 1.00 97.09 16 A 1 ATOM 124 C CB . SER A 1 16 ? 0.834 0.642 -8.562 1.00 97.22 16 A 1 ATOM 125 O OG . SER A 1 16 ? 1.677 0.941 -9.647 1.00 90.74 16 A 1 ATOM 126 N N . LEU A 1 17 ? 0.310 -2.490 -8.745 1.00 97.48 17 A 1 ATOM 127 C CA . LEU A 1 17 ? 0.661 -3.844 -9.171 1.00 97.25 17 A 1 ATOM 128 C C . LEU A 1 17 ? -0.507 -4.518 -9.897 1.00 97.54 17 A 1 ATOM 129 O O . LEU A 1 17 ? -0.300 -5.194 -10.904 1.00 96.99 17 A 1 ATOM 130 C CB . LEU A 1 17 ? 1.088 -4.660 -7.942 1.00 96.90 17 A 1 ATOM 131 C CG . LEU A 1 17 ? 1.977 -5.853 -8.298 1.00 94.03 17 A 1 ATOM 132 C CD1 . LEU A 1 17 ? 3.420 -5.408 -8.523 1.00 88.40 17 A 1 ATOM 133 C CD2 . LEU A 1 17 ? 1.946 -6.885 -7.179 1.00 89.03 17 A 1 ATOM 134 N N . CYS A 1 18 ? -1.728 -4.323 -9.427 1.00 97.47 18 A 1 ATOM 135 C CA . CYS A 1 18 ? -2.936 -4.864 -10.051 1.00 97.52 18 A 1 ATOM 136 C C . CYS A 1 18 ? -3.182 -4.242 -11.433 1.00 97.61 18 A 1 ATOM 137 O O . CYS A 1 18 ? -3.675 -4.915 -12.336 1.00 96.67 18 A 1 ATOM 138 C CB . CYS A 1 18 ? -4.128 -4.628 -9.113 1.00 96.52 18 A 1 ATOM 139 S SG . CYS A 1 18 ? -5.584 -5.531 -9.672 1.00 91.70 18 A 1 ATOM 140 N N . ALA A 1 19 ? -2.823 -2.974 -11.623 1.00 97.86 19 A 1 ATOM 141 C CA . ALA A 1 19 ? -2.945 -2.300 -12.918 1.00 97.71 19 A 1 ATOM 142 C C . ALA A 1 19 ? -1.950 -2.846 -13.958 1.00 97.60 19 A 1 ATOM 143 O O . ALA A 1 19 ? -2.193 -2.725 -15.159 1.00 96.50 19 A 1 ATOM 144 C CB . ALA A 1 19 ? -2.762 -0.794 -12.714 1.00 97.00 19 A 1 ATOM 145 N N . TYR A 1 20 ? -0.844 -3.450 -13.508 1.00 96.54 20 A 1 ATOM 146 C CA . TYR A 1 20 ? 0.168 -4.068 -14.375 1.00 95.90 20 A 1 ATOM 147 C C . TYR A 1 20 ? -0.034 -5.584 -14.542 1.00 95.48 20 A 1 ATOM 148 O O . TYR A 1 20 ? 0.764 -6.232 -15.215 1.00 92.82 20 A 1 ATOM 149 C CB . TYR A 1 20 ? 1.573 -3.755 -13.823 1.00 94.90 20 A 1 ATOM 150 C CG . TYR A 1 20 ? 2.123 -2.430 -14.304 1.00 91.62 20 A 1 ATOM 151 C CD1 . TYR A 1 20 ? 1.792 -1.240 -13.648 1.00 88.68 20 A 1 ATOM 152 C CD2 . TYR A 1 20 ? 2.975 -2.386 -15.413 1.00 87.85 20 A 1 ATOM 153 C CE1 . TYR A 1 20 ? 2.303 -0.019 -14.095 1.00 87.56 20 A 1 ATOM 154 C CE2 . TYR A 1 20 ? 3.495 -1.166 -15.867 1.00 88.49 20 A 1 ATOM 155 C CZ . TYR A 1 20 ? 3.153 0.012 -15.203 1.00 88.87 20 A 1 ATOM 156 O OH . TYR A 1 20 ? 3.660 1.212 -15.646 1.00 87.26 20 A 1 ATOM 157 N N . GLY A 1 21 ? -1.080 -6.134 -13.928 1.00 92.59 21 A 1 ATOM 158 C CA . GLY A 1 21 ? -1.380 -7.561 -13.981 1.00 89.70 21 A 1 ATOM 159 C C . GLY A 1 21 ? -2.530 -7.883 -14.924 1.00 85.72 21 A 1 ATOM 160 O O . GLY A 1 21 ? -3.417 -7.025 -15.105 1.00 80.21 21 A 1 ATOM 161 O OXT . GLY A 1 21 ? -2.554 -9.014 -15.462 1.00 85.72 21 A 1 #