# 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_spkb44562 # _entry.id spkb44562 # 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" "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" "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 ILE 2 1 n TYR 3 1 n VAL 4 1 n LYS 5 1 n TYR 6 1 n ILE 7 1 n ILE 8 1 n LEU 9 1 n GLY 10 1 n PHE 11 1 n ILE 12 1 n MET 13 1 n GLY 14 1 n SER 15 1 n SER 16 1 n LEU 17 1 n ASN 18 1 n LEU 19 1 n TYR 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 10:56:56)" _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 91.08 _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 84.29 1 1 A ILE 2 2 89.96 1 2 A TYR 3 2 91.13 1 3 A VAL 4 2 95.67 1 4 A LYS 5 2 90.38 1 5 A TYR 6 2 93.50 1 6 A ILE 7 2 94.65 1 7 A ILE 8 2 94.75 1 8 A LEU 9 2 93.23 1 9 A GLY 10 2 96.36 1 10 A PHE 11 2 92.37 1 11 A ILE 12 2 95.41 1 12 A MET 13 2 90.70 1 13 A GLY 14 2 96.14 1 14 A SER 15 2 92.97 1 15 A SER 16 2 93.16 1 16 A LEU 17 2 90.50 1 17 A ASN 18 2 88.45 1 18 A LEU 19 2 87.42 1 19 A TYR 20 2 85.37 1 20 A ALA 21 2 81.89 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 ILE . 2 A 2 A 3 1 n TYR . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n TYR . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n MET . 13 A 13 A 14 1 n GLY . 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 ASN . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n TYR . 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 ? -16.560 -4.486 3.816 1.00 91.50 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.636 -4.434 4.977 1.00 93.42 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.595 -3.335 4.790 1.00 93.63 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.136 -3.115 3.678 1.00 89.10 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.918 -5.779 5.154 1.00 87.12 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.796 -6.801 5.863 1.00 77.47 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.919 -8.341 6.157 1.00 73.80 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.103 -9.193 7.203 1.00 68.27 1 A 1 ATOM 9 N N . ILE A 1 2 ? -14.229 -2.665 5.893 1.00 91.55 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -13.267 -1.563 5.862 1.00 94.42 2 A 1 ATOM 11 C C . ILE A 1 2 ? -11.816 -2.064 5.924 1.00 95.94 2 A 1 ATOM 12 O O . ILE A 1 2 ? -10.884 -1.327 5.608 1.00 95.27 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -13.579 -0.583 7.015 1.00 92.07 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -12.890 0.765 6.823 1.00 86.08 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -13.199 -1.191 8.371 1.00 84.42 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -13.493 1.594 5.711 1.00 79.94 2 A 1 ATOM 17 N N . TYR A 1 3 ? -11.631 -3.322 6.310 1.00 96.98 3 A 1 ATOM 18 C CA . TYR A 1 3 ? -10.297 -3.901 6.528 1.00 97.28 3 A 1 ATOM 19 C C . TYR A 1 3 ? -9.455 -3.944 5.250 1.00 97.59 3 A 1 ATOM 20 O O . TYR A 1 3 ? -8.243 -3.739 5.296 1.00 96.98 3 A 1 ATOM 21 C CB . TYR A 1 3 ? -10.451 -5.306 7.115 1.00 96.21 3 A 1 ATOM 22 C CG . TYR A 1 3 ? -11.336 -5.347 8.337 1.00 91.54 3 A 1 ATOM 23 C CD1 . TYR A 1 3 ? -10.965 -4.664 9.499 1.00 87.83 3 A 1 ATOM 24 C CD2 . TYR A 1 3 ? -12.532 -6.062 8.324 1.00 87.17 3 A 1 ATOM 25 C CE1 . TYR A 1 3 ? -11.781 -4.696 10.630 1.00 85.97 3 A 1 ATOM 26 C CE2 . TYR A 1 3 ? -13.352 -6.097 9.449 1.00 86.08 3 A 1 ATOM 27 C CZ . TYR A 1 3 ? -12.970 -5.414 10.600 1.00 86.29 3 A 1 ATOM 28 O OH . TYR A 1 3 ? -13.772 -5.448 11.709 1.00 83.63 3 A 1 ATOM 29 N N . VAL A 1 4 ? -10.099 -4.161 4.104 1.00 97.37 4 A 1 ATOM 30 C CA . VAL A 1 4 ? -9.411 -4.212 2.807 1.00 97.43 4 A 1 ATOM 31 C C . VAL A 1 4 ? -8.748 -2.870 2.486 1.00 97.69 4 A 1 ATOM 32 O O . VAL A 1 4 ? -7.673 -2.827 1.879 1.00 96.99 4 A 1 ATOM 33 C CB . VAL A 1 4 ? -10.397 -4.613 1.690 1.00 96.43 4 A 1 ATOM 34 C CG1 . VAL A 1 4 ? -9.702 -4.688 0.332 1.00 91.59 4 A 1 ATOM 35 C CG2 . VAL A 1 4 ? -11.042 -5.958 1.997 1.00 92.17 4 A 1 ATOM 36 N N . LYS A 1 5 ? -9.365 -1.783 2.925 1.00 97.29 5 A 1 ATOM 37 C CA . LYS A 1 5 ? -8.832 -0.435 2.712 1.00 97.10 5 A 1 ATOM 38 C C . LYS A 1 5 ? -7.463 -0.271 3.380 1.00 97.14 5 A 1 ATOM 39 O O . LYS A 1 5 ? -6.554 0.313 2.790 1.00 96.80 5 A 1 ATOM 40 C CB . LYS A 1 5 ? -9.832 0.596 3.249 1.00 96.57 5 A 1 ATOM 41 C CG . LYS A 1 5 ? -9.397 2.030 2.982 1.00 89.48 5 A 1 ATOM 42 C CD . LYS A 1 5 ? -10.418 3.010 3.534 1.00 86.16 5 A 1 ATOM 43 C CE . LYS A 1 5 ? -9.954 4.444 3.331 1.00 80.04 5 A 1 ATOM 44 N NZ . LYS A 1 5 ? -10.952 5.414 3.851 1.00 72.80 5 A 1 ATOM 45 N N . TYR A 1 6 ? -7.306 -0.808 4.582 1.00 97.38 6 A 1 ATOM 46 C CA . TYR A 1 6 ? -6.046 -0.709 5.324 1.00 97.25 6 A 1 ATOM 47 C C . TYR A 1 6 ? -4.946 -1.565 4.698 1.00 97.25 6 A 1 ATOM 48 O O . TYR A 1 6 ? -3.775 -1.190 4.731 1.00 96.52 6 A 1 ATOM 49 C CB . TYR A 1 6 ? -6.267 -1.109 6.780 1.00 96.63 6 A 1 ATOM 50 C CG . TYR A 1 6 ? -7.202 -0.171 7.509 1.00 94.58 6 A 1 ATOM 51 C CD1 . TYR A 1 6 ? -6.814 1.141 7.782 1.00 90.60 6 A 1 ATOM 52 C CD2 . TYR A 1 6 ? -8.460 -0.604 7.918 1.00 91.52 6 A 1 ATOM 53 C CE1 . TYR A 1 6 ? -7.675 2.007 8.450 1.00 90.09 6 A 1 ATOM 54 C CE2 . TYR A 1 6 ? -9.327 0.260 8.586 1.00 90.21 6 A 1 ATOM 55 C CZ . TYR A 1 6 ? -8.928 1.563 8.850 1.00 91.32 6 A 1 ATOM 56 O OH . TYR A 1 6 ? -9.776 2.412 9.511 1.00 88.62 6 A 1 ATOM 57 N N . ILE A 1 7 ? -5.323 -2.686 4.091 1.00 96.85 7 A 1 ATOM 58 C CA . ILE A 1 7 ? -4.368 -3.555 3.400 1.00 96.61 7 A 1 ATOM 59 C C . ILE A 1 7 ? -3.790 -2.829 2.184 1.00 96.57 7 A 1 ATOM 60 O O . ILE A 1 7 ? -2.573 -2.824 1.976 1.00 95.91 7 A 1 ATOM 61 C CB . ILE A 1 7 ? -5.038 -4.879 2.985 1.00 96.42 7 A 1 ATOM 62 C CG1 . ILE A 1 7 ? -5.493 -5.657 4.234 1.00 93.92 7 A 1 ATOM 63 C CG2 . ILE A 1 7 ? -4.077 -5.727 2.146 1.00 93.20 7 A 1 ATOM 64 C CD1 . ILE A 1 7 ? -6.353 -6.872 3.917 1.00 87.74 7 A 1 ATOM 65 N N . ILE A 1 8 ? -4.656 -2.195 1.406 1.00 96.78 8 A 1 ATOM 66 C CA . ILE A 1 8 ? -4.239 -1.442 0.223 1.00 96.34 8 A 1 ATOM 67 C C . ILE A 1 8 ? -3.370 -0.251 0.634 1.00 96.07 8 A 1 ATOM 68 O O . ILE A 1 8 ? -2.320 -0.004 0.033 1.00 95.65 8 A 1 ATOM 69 C CB . ILE A 1 8 ? -5.470 -0.982 -0.587 1.00 96.16 8 A 1 ATOM 70 C CG1 . ILE A 1 8 ? -6.248 -2.201 -1.118 1.00 94.41 8 A 1 ATOM 71 C CG2 . ILE A 1 8 ? -5.044 -0.084 -1.754 1.00 93.58 8 A 1 ATOM 72 C CD1 . ILE A 1 8 ? -7.623 -1.853 -1.659 1.00 88.97 8 A 1 ATOM 73 N N . LEU A 1 9 ? -3.785 0.469 1.665 1.00 96.77 9 A 1 ATOM 74 C CA . LEU A 1 9 ? -3.033 1.617 2.171 1.00 95.99 9 A 1 ATOM 75 C C . LEU A 1 9 ? -1.647 1.193 2.657 1.00 96.14 9 A 1 ATOM 76 O O . LEU A 1 9 ? -0.652 1.857 2.365 1.00 96.11 9 A 1 ATOM 77 C CB . LEU A 1 9 ? -3.824 2.281 3.304 1.00 95.39 9 A 1 ATOM 78 C CG . LEU A 1 9 ? -3.217 3.592 3.811 1.00 90.04 9 A 1 ATOM 79 C CD1 . LEU A 1 9 ? -3.334 4.692 2.763 1.00 87.27 9 A 1 ATOM 80 C CD2 . LEU A 1 9 ? -3.916 4.023 5.093 1.00 88.14 9 A 1 ATOM 81 N N . GLY A 1 10 ? -1.581 0.086 3.383 1.00 96.63 10 A 1 ATOM 82 C CA . GLY A 1 10 ? -0.314 -0.452 3.870 1.00 96.21 10 A 1 ATOM 83 C C . GLY A 1 10 ? 0.599 -0.880 2.734 1.00 96.60 10 A 1 ATOM 84 O O . GLY A 1 10 ? 1.810 -0.657 2.785 1.00 96.01 10 A 1 ATOM 85 N N . PHE A 1 11 ? 0.024 -1.462 1.688 1.00 96.34 11 A 1 ATOM 86 C CA . PHE A 1 11 ? 0.779 -1.876 0.507 1.00 96.10 11 A 1 ATOM 87 C C . PHE A 1 11 ? 1.393 -0.673 -0.209 1.00 96.57 11 A 1 ATOM 88 O O . PHE A 1 11 ? 2.567 -0.707 -0.580 1.00 95.58 11 A 1 ATOM 89 C CB . PHE A 1 11 ? -0.135 -2.662 -0.437 1.00 95.54 11 A 1 ATOM 90 C CG . PHE A 1 11 ? 0.561 -3.097 -1.701 1.00 92.37 11 A 1 ATOM 91 C CD1 . PHE A 1 11 ? 1.460 -4.159 -1.681 1.00 88.53 11 A 1 ATOM 92 C CD2 . PHE A 1 11 ? 0.322 -2.426 -2.898 1.00 89.86 11 A 1 ATOM 93 C CE1 . PHE A 1 11 ? 2.114 -4.556 -2.845 1.00 87.99 11 A 1 ATOM 94 C CE2 . PHE A 1 11 ? 0.980 -2.818 -4.066 1.00 88.33 11 A 1 ATOM 95 C CZ . PHE A 1 11 ? 1.875 -3.884 -4.037 1.00 88.87 11 A 1 ATOM 96 N N . ILE A 1 12 ? 0.615 0.390 -0.379 1.00 96.95 12 A 1 ATOM 97 C CA . ILE A 1 12 ? 1.093 1.607 -1.043 1.00 96.67 12 A 1 ATOM 98 C C . ILE A 1 12 ? 2.222 2.249 -0.238 1.00 96.37 12 A 1 ATOM 99 O O . ILE A 1 12 ? 3.265 2.603 -0.794 1.00 95.52 12 A 1 ATOM 100 C CB . ILE A 1 12 ? -0.068 2.599 -1.262 1.00 96.49 12 A 1 ATOM 101 C CG1 . ILE A 1 12 ? -1.084 2.018 -2.255 1.00 95.33 12 A 1 ATOM 102 C CG2 . ILE A 1 12 ? 0.456 3.943 -1.779 1.00 94.58 12 A 1 ATOM 103 C CD1 . ILE A 1 12 ? -2.406 2.766 -2.276 1.00 91.41 12 A 1 ATOM 104 N N . MET A 1 13 ? 2.027 2.392 1.064 1.00 97.06 13 A 1 ATOM 105 C CA . MET A 1 13 ? 3.047 2.976 1.939 1.00 96.31 13 A 1 ATOM 106 C C . MET A 1 13 ? 4.301 2.107 1.994 1.00 96.17 13 A 1 ATOM 107 O O . MET A 1 13 ? 5.414 2.622 1.910 1.00 94.88 13 A 1 ATOM 108 C CB . MET A 1 13 ? 2.488 3.183 3.347 1.00 95.30 13 A 1 ATOM 109 C CG . MET A 1 13 ? 1.645 4.440 3.447 1.00 91.21 13 A 1 ATOM 110 S SD . MET A 1 13 ? 1.954 5.378 4.955 1.00 81.17 13 A 1 ATOM 111 C CE . MET A 1 13 ? 1.201 4.303 6.177 1.00 73.53 13 A 1 ATOM 112 N N . GLY A 1 14 ? 4.115 0.804 2.117 1.00 96.31 14 A 1 ATOM 113 C CA . GLY A 1 14 ? 5.238 -0.126 2.166 1.00 96.20 14 A 1 ATOM 114 C C . GLY A 1 14 ? 6.037 -0.153 0.877 1.00 96.49 14 A 1 ATOM 115 O O . GLY A 1 14 ? 7.266 -0.160 0.905 1.00 95.58 14 A 1 ATOM 116 N N . SER A 1 15 ? 5.353 -0.131 -0.262 1.00 95.66 15 A 1 ATOM 117 C CA . SER A 1 15 ? 6.007 -0.118 -1.571 1.00 95.18 15 A 1 ATOM 118 C C . SER A 1 15 ? 6.815 1.159 -1.776 1.00 95.57 15 A 1 ATOM 119 O O . SER A 1 15 ? 7.937 1.109 -2.274 1.00 93.43 15 A 1 ATOM 120 C CB . SER A 1 15 ? 4.972 -0.252 -2.686 1.00 93.19 15 A 1 ATOM 121 O OG . SER A 1 15 ? 4.332 -1.507 -2.619 1.00 84.78 15 A 1 ATOM 122 N N . SER A 1 16 ? 6.258 2.296 -1.372 1.00 94.80 16 A 1 ATOM 123 C CA . SER A 1 16 ? 6.937 3.585 -1.487 1.00 95.03 16 A 1 ATOM 124 C C . SER A 1 16 ? 8.179 3.631 -0.598 1.00 95.55 16 A 1 ATOM 125 O O . SER A 1 16 ? 9.241 4.076 -1.029 1.00 93.98 16 A 1 ATOM 126 C CB . SER A 1 16 ? 5.978 4.717 -1.121 1.00 93.75 16 A 1 ATOM 127 O OG . SER A 1 16 ? 6.547 5.965 -1.415 1.00 85.82 16 A 1 ATOM 128 N N . LEU A 1 17 ? 8.056 3.151 0.633 1.00 94.54 17 A 1 ATOM 129 C CA . LEU A 1 17 ? 9.174 3.109 1.579 1.00 94.47 17 A 1 ATOM 130 C C . LEU A 1 17 ? 10.284 2.186 1.089 1.00 95.15 17 A 1 ATOM 131 O O . LEU A 1 17 ? 11.460 2.541 1.148 1.00 94.44 17 A 1 ATOM 132 C CB . LEU A 1 17 ? 8.669 2.663 2.954 1.00 93.52 17 A 1 ATOM 133 C CG . LEU A 1 17 ? 8.635 3.789 3.985 1.00 87.81 17 A 1 ATOM 134 C CD1 . LEU A 1 17 ? 7.714 3.425 5.139 1.00 82.27 17 A 1 ATOM 135 C CD2 . LEU A 1 17 ? 10.034 4.063 4.509 1.00 81.82 17 A 1 ATOM 136 N N . ASN A 1 18 ? 9.910 1.018 0.591 1.00 93.95 18 A 1 ATOM 137 C CA . ASN A 1 18 ? 10.874 0.032 0.101 1.00 93.73 18 A 1 ATOM 138 C C . ASN A 1 18 ? 11.639 0.538 -1.117 1.00 93.52 18 A 1 ATOM 139 O O . ASN A 1 18 ? 12.805 0.193 -1.307 1.00 92.09 18 A 1 ATOM 140 C CB . ASN A 1 18 ? 10.141 -1.268 -0.236 1.00 91.62 18 A 1 ATOM 141 C CG . ASN A 1 18 ? 11.101 -2.409 -0.475 1.00 86.58 18 A 1 ATOM 142 O OD1 . ASN A 1 18 ? 12.150 -2.515 0.141 1.00 78.34 18 A 1 ATOM 143 N ND2 . ASN A 1 18 ? 10.749 -3.305 -1.373 1.00 77.75 18 A 1 ATOM 144 N N . LEU A 1 19 ? 11.001 1.369 -1.935 1.00 91.85 19 A 1 ATOM 145 C CA . LEU A 1 19 ? 11.628 1.919 -3.140 1.00 91.57 19 A 1 ATOM 146 C C . LEU A 1 19 ? 12.754 2.893 -2.797 1.00 91.72 19 A 1 ATOM 147 O O . LEU A 1 19 ? 13.712 3.033 -3.559 1.00 90.13 19 A 1 ATOM 148 C CB . LEU A 1 19 ? 10.558 2.603 -4.001 1.00 90.09 19 A 1 ATOM 149 C CG . LEU A 1 19 ? 10.912 2.626 -5.487 1.00 86.29 19 A 1 ATOM 150 C CD1 . LEU A 1 19 ? 9.863 1.853 -6.289 1.00 80.37 19 A 1 ATOM 151 C CD2 . LEU A 1 19 ? 10.981 4.056 -6.000 1.00 77.37 19 A 1 ATOM 152 N N . TYR A 1 20 ? 12.638 3.571 -1.658 1.00 92.43 20 A 1 ATOM 153 C CA . TYR A 1 20 ? 13.636 4.548 -1.221 1.00 91.29 20 A 1 ATOM 154 C C . TYR A 1 20 ? 14.589 3.985 -0.160 1.00 91.05 20 A 1 ATOM 155 O O . TYR A 1 20 ? 15.559 4.649 0.202 1.00 88.78 20 A 1 ATOM 156 C CB . TYR A 1 20 ? 12.929 5.801 -0.692 1.00 89.80 20 A 1 ATOM 157 C CG . TYR A 1 20 ? 12.034 6.466 -1.715 1.00 86.15 20 A 1 ATOM 158 C CD1 . TYR A 1 20 ? 12.572 7.027 -2.871 1.00 83.27 20 A 1 ATOM 159 C CD2 . TYR A 1 20 ? 10.660 6.529 -1.513 1.00 82.65 20 A 1 ATOM 160 C CE1 . TYR A 1 20 ? 11.754 7.638 -3.815 1.00 80.56 20 A 1 ATOM 161 C CE2 . TYR A 1 20 ? 9.833 7.141 -2.453 1.00 80.86 20 A 1 ATOM 162 C CZ . TYR A 1 20 ? 10.383 7.694 -3.602 1.00 79.50 20 A 1 ATOM 163 O OH . TYR A 1 20 ? 9.570 8.289 -4.528 1.00 78.15 20 A 1 ATOM 164 N N . ALA A 1 21 ? 14.322 2.793 0.323 1.00 88.41 21 A 1 ATOM 165 C CA . ALA A 1 21 ? 15.135 2.160 1.363 1.00 86.85 21 A 1 ATOM 166 C C . ALA A 1 21 ? 16.249 1.324 0.731 1.00 82.70 21 A 1 ATOM 167 O O . ALA A 1 21 ? 17.417 1.483 1.127 1.00 78.18 21 A 1 ATOM 168 C CB . ALA A 1 21 ? 14.251 1.315 2.275 1.00 81.72 21 A 1 ATOM 169 O OXT . ALA A 1 21 ? 15.944 0.495 -0.131 1.00 73.47 21 A 1 #