# 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_spkb22844 # _entry.id spkb22844 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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 ASN 2 1 n ASP 3 1 n ALA 4 1 n LYS 5 1 n LYS 6 1 n TYR 7 1 n ILE 8 1 n VAL 9 1 n SER 10 1 n VAL 11 1 n LEU 12 1 n ILE 13 1 n LEU 14 1 n LEU 15 1 n VAL 16 1 n ALA 17 1 n GLY 18 1 n MET 19 1 n PHE 20 1 n GLY 21 1 n GLY 22 # _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 @ 2025-07-03 08:10:42)" _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 92.69 _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 80.66 1 1 A ASN 2 2 90.28 1 2 A ASP 3 2 91.99 1 3 A ALA 4 2 97.91 1 4 A LYS 5 2 90.70 1 5 A LYS 6 2 90.72 1 6 A TYR 7 2 95.79 1 7 A ILE 8 2 95.17 1 8 A VAL 9 2 96.64 1 9 A SER 10 2 95.80 1 10 A VAL 11 2 97.34 1 11 A LEU 12 2 94.66 1 12 A ILE 13 2 96.22 1 13 A LEU 14 2 95.07 1 14 A LEU 15 2 95.14 1 15 A VAL 16 2 97.32 1 16 A ALA 17 2 98.10 1 17 A GLY 18 2 97.31 1 18 A MET 19 2 91.04 1 19 A PHE 20 2 89.65 1 20 A GLY 21 2 83.98 1 21 A GLY 22 2 75.74 1 22 # _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 ASP . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n TYR . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n MET . 19 A 19 A 20 1 n PHE . 20 A 20 A 21 1 n GLY . 21 A 21 A 22 1 n GLY . 22 A 22 # _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 ? -3.430 -1.291 18.040 1.00 87.26 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.541 -0.550 16.760 1.00 90.90 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.752 -1.079 16.023 1.00 92.22 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.920 -2.290 15.979 1.00 86.77 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.287 -0.717 15.900 1.00 83.57 1 A 1 ATOM 6 C CG . MET A 1 1 ? -1.267 0.391 16.147 1.00 74.46 1 A 1 ATOM 7 S SD . MET A 1 1 ? 0.405 -0.074 15.631 1.00 66.80 1 A 1 ATOM 8 C CE . MET A 1 1 ? 0.907 1.375 14.685 1.00 63.31 1 A 1 ATOM 9 N N . ASN A 1 2 ? -5.605 -0.195 15.512 1.00 92.59 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -6.834 -0.595 14.837 1.00 95.07 2 A 1 ATOM 11 C C . ASN A 1 2 ? -6.488 -1.299 13.513 1.00 96.30 2 A 1 ATOM 12 O O . ASN A 1 2 ? -5.620 -0.812 12.787 1.00 95.34 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -7.688 0.667 14.636 1.00 92.53 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -9.151 0.341 14.410 1.00 87.65 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -9.622 -0.718 14.746 1.00 81.78 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -9.903 1.256 13.851 1.00 81.00 2 A 1 ATOM 17 N N . ASP A 1 3 ? -7.154 -2.400 13.182 1.00 95.98 3 A 1 ATOM 18 C CA . ASP A 1 3 ? -6.906 -3.188 11.963 1.00 97.15 3 A 1 ATOM 19 C C . ASP A 1 3 ? -7.013 -2.341 10.688 1.00 97.78 3 A 1 ATOM 20 O O . ASP A 1 3 ? -6.279 -2.561 9.721 1.00 97.21 3 A 1 ATOM 21 C CB . ASP A 1 3 ? -7.902 -4.349 11.910 1.00 95.73 3 A 1 ATOM 22 C CG . ASP A 1 3 ? -7.532 -5.415 12.931 1.00 87.58 3 A 1 ATOM 23 O OD1 . ASP A 1 3 ? -6.610 -6.196 12.618 1.00 82.05 3 A 1 ATOM 24 O OD2 . ASP A 1 3 ? -8.137 -5.411 14.016 1.00 82.44 3 A 1 ATOM 25 N N . ALA A 1 4 ? -7.851 -1.296 10.706 1.00 97.61 4 A 1 ATOM 26 C CA . ALA A 1 4 ? -7.991 -0.339 9.615 1.00 98.04 4 A 1 ATOM 27 C C . ALA A 1 4 ? -6.672 0.381 9.274 1.00 98.30 4 A 1 ATOM 28 O O . ALA A 1 4 ? -6.380 0.590 8.096 1.00 98.03 4 A 1 ATOM 29 C CB . ALA A 1 4 ? -9.081 0.668 10.003 1.00 97.59 4 A 1 ATOM 30 N N . LYS A 1 5 ? -5.830 0.739 10.266 1.00 97.59 5 A 1 ATOM 31 C CA . LYS A 1 5 ? -4.518 1.355 10.013 1.00 97.72 5 A 1 ATOM 32 C C . LYS A 1 5 ? -3.581 0.391 9.297 1.00 97.87 5 A 1 ATOM 33 O O . LYS A 1 5 ? -2.873 0.803 8.382 1.00 97.67 5 A 1 ATOM 34 C CB . LYS A 1 5 ? -3.867 1.848 11.313 1.00 97.33 5 A 1 ATOM 35 C CG . LYS A 1 5 ? -4.330 3.262 11.683 1.00 91.04 5 A 1 ATOM 36 C CD . LYS A 1 5 ? -3.501 3.807 12.850 1.00 86.74 5 A 1 ATOM 37 C CE . LYS A 1 5 ? -3.867 5.264 13.120 1.00 79.41 5 A 1 ATOM 38 N NZ . LYS A 1 5 ? -3.016 5.869 14.176 1.00 70.90 5 A 1 ATOM 39 N N . LYS A 1 6 ? -3.596 -0.881 9.684 1.00 97.27 6 A 1 ATOM 40 C CA . LYS A 1 6 ? -2.763 -1.916 9.070 1.00 97.35 6 A 1 ATOM 41 C C . LYS A 1 6 ? -3.166 -2.140 7.610 1.00 97.71 6 A 1 ATOM 42 O O . LYS A 1 6 ? -2.296 -2.241 6.745 1.00 97.43 6 A 1 ATOM 43 C CB . LYS A 1 6 ? -2.874 -3.188 9.919 1.00 96.68 6 A 1 ATOM 44 C CG . LYS A 1 6 ? -1.639 -4.077 9.772 1.00 90.50 6 A 1 ATOM 45 C CD . LYS A 1 6 ? -1.759 -5.287 10.700 1.00 86.92 6 A 1 ATOM 46 C CE . LYS A 1 6 ? -0.496 -6.143 10.640 1.00 80.09 6 A 1 ATOM 47 N NZ . LYS A 1 6 ? -0.623 -7.349 11.498 1.00 72.49 6 A 1 ATOM 48 N N . TYR A 1 7 ? -4.482 -2.121 7.331 1.00 97.74 7 A 1 ATOM 49 C CA . TYR A 1 7 ? -5.023 -2.235 5.977 1.00 97.92 7 A 1 ATOM 50 C C . TYR A 1 7 ? -4.620 -1.045 5.097 1.00 98.14 7 A 1 ATOM 51 O O . TYR A 1 7 ? -4.107 -1.242 3.998 1.00 97.98 7 A 1 ATOM 52 C CB . TYR A 1 7 ? -6.543 -2.379 6.073 1.00 97.71 7 A 1 ATOM 53 C CG . TYR A 1 7 ? -7.174 -2.665 4.732 1.00 96.47 7 A 1 ATOM 54 C CD1 . TYR A 1 7 ? -7.782 -1.633 3.997 1.00 94.50 7 A 1 ATOM 55 C CD2 . TYR A 1 7 ? -7.127 -3.969 4.204 1.00 94.42 7 A 1 ATOM 56 C CE1 . TYR A 1 7 ? -8.340 -1.899 2.742 1.00 93.40 7 A 1 ATOM 57 C CE2 . TYR A 1 7 ? -7.680 -4.243 2.946 1.00 93.90 7 A 1 ATOM 58 C CZ . TYR A 1 7 ? -8.286 -3.201 2.222 1.00 94.07 7 A 1 ATOM 59 O OH . TYR A 1 7 ? -8.829 -3.464 0.986 1.00 93.18 7 A 1 ATOM 60 N N . ILE A 1 8 ? -4.768 0.190 5.598 1.00 97.44 8 A 1 ATOM 61 C CA . ILE A 1 8 ? -4.393 1.409 4.866 1.00 97.61 8 A 1 ATOM 62 C C . ILE A 1 8 ? -2.896 1.405 4.533 1.00 97.82 8 A 1 ATOM 63 O O . ILE A 1 8 ? -2.524 1.711 3.401 1.00 97.75 8 A 1 ATOM 64 C CB . ILE A 1 8 ? -4.795 2.660 5.669 1.00 97.57 8 A 1 ATOM 65 C CG1 . ILE A 1 8 ? -6.334 2.793 5.722 1.00 94.89 8 A 1 ATOM 66 C CG2 . ILE A 1 8 ? -4.191 3.943 5.061 1.00 93.22 8 A 1 ATOM 67 C CD1 . ILE A 1 8 ? -6.829 3.762 6.796 1.00 85.08 8 A 1 ATOM 68 N N . VAL A 1 9 ? -2.036 1.030 5.476 1.00 97.76 9 A 1 ATOM 69 C CA . VAL A 1 9 ? -0.587 0.934 5.248 1.00 97.73 9 A 1 ATOM 70 C C . VAL A 1 9 ? -0.273 -0.110 4.173 1.00 97.88 9 A 1 ATOM 71 O O . VAL A 1 9 ? 0.538 0.159 3.288 1.00 97.78 9 A 1 ATOM 72 C CB . VAL A 1 9 ? 0.146 0.630 6.564 1.00 97.23 9 A 1 ATOM 73 C CG1 . VAL A 1 9 ? 1.629 0.305 6.353 1.00 94.21 9 A 1 ATOM 74 C CG2 . VAL A 1 9 ? 0.081 1.841 7.497 1.00 93.92 9 A 1 ATOM 75 N N . SER A 1 10 ? -0.941 -1.257 4.183 1.00 97.61 10 A 1 ATOM 76 C CA . SER A 1 10 ? -0.751 -2.296 3.165 1.00 97.59 10 A 1 ATOM 77 C C . SER A 1 10 ? -1.168 -1.818 1.769 1.00 97.84 10 A 1 ATOM 78 O O . SER A 1 10 ? -0.450 -2.058 0.806 1.00 97.49 10 A 1 ATOM 79 C CB . SER A 1 10 ? -1.540 -3.551 3.531 1.00 97.09 10 A 1 ATOM 80 O OG . SER A 1 10 ? -1.068 -4.096 4.751 1.00 87.17 10 A 1 ATOM 81 N N . VAL A 1 11 ? -2.277 -1.088 1.662 1.00 98.09 11 A 1 ATOM 82 C CA . VAL A 1 11 ? -2.732 -0.495 0.391 1.00 98.11 11 A 1 ATOM 83 C C . VAL A 1 11 ? -1.745 0.563 -0.105 1.00 98.21 11 A 1 ATOM 84 O O . VAL A 1 11 ? -1.433 0.601 -1.294 1.00 97.88 11 A 1 ATOM 85 C CB . VAL A 1 11 ? -4.144 0.098 0.551 1.00 97.76 11 A 1 ATOM 86 C CG1 . VAL A 1 11 ? -4.602 0.880 -0.682 1.00 95.94 11 A 1 ATOM 87 C CG2 . VAL A 1 11 ? -5.167 -1.016 0.783 1.00 95.37 11 A 1 ATOM 88 N N . LEU A 1 12 ? -1.202 1.391 0.794 1.00 97.79 12 A 1 ATOM 89 C CA . LEU A 1 12 ? -0.206 2.405 0.445 1.00 97.71 12 A 1 ATOM 90 C C . LEU A 1 12 ? 1.076 1.765 -0.100 1.00 97.90 12 A 1 ATOM 91 O O . LEU A 1 12 ? 1.595 2.212 -1.121 1.00 97.93 12 A 1 ATOM 92 C CB . LEU A 1 12 ? 0.085 3.256 1.689 1.00 97.42 12 A 1 ATOM 93 C CG . LEU A 1 12 ? 0.780 4.581 1.338 1.00 90.38 12 A 1 ATOM 94 C CD1 . LEU A 1 12 ? -0.235 5.626 0.873 1.00 88.69 12 A 1 ATOM 95 C CD2 . LEU A 1 12 ? 1.512 5.135 2.561 1.00 89.47 12 A 1 ATOM 96 N N . ILE A 1 13 ? 1.564 0.701 0.538 1.00 97.99 13 A 1 ATOM 97 C CA . ILE A 1 13 ? 2.738 -0.055 0.079 1.00 97.83 13 A 1 ATOM 98 C C . ILE A 1 13 ? 2.473 -0.658 -1.304 1.00 97.91 13 A 1 ATOM 99 O O . ILE A 1 13 ? 3.343 -0.589 -2.174 1.00 97.66 13 A 1 ATOM 100 C CB . ILE A 1 13 ? 3.118 -1.133 1.110 1.00 97.47 13 A 1 ATOM 101 C CG1 . ILE A 1 13 ? 3.665 -0.477 2.398 1.00 95.98 13 A 1 ATOM 102 C CG2 . ILE A 1 13 ? 4.182 -2.102 0.546 1.00 94.93 13 A 1 ATOM 103 C CD1 . ILE A 1 13 ? 3.715 -1.431 3.592 1.00 89.95 13 A 1 ATOM 104 N N . LEU A 1 14 ? 1.282 -1.203 -1.539 1.00 98.08 14 A 1 ATOM 105 C CA . LEU A 1 14 ? 0.903 -1.769 -2.836 1.00 97.92 14 A 1 ATOM 106 C C . LEU A 1 14 ? 0.897 -0.706 -3.943 1.00 98.05 14 A 1 ATOM 107 O O . LEU A 1 14 ? 1.393 -0.957 -5.041 1.00 97.69 14 A 1 ATOM 108 C CB . LEU A 1 14 ? -0.479 -2.427 -2.693 1.00 97.45 14 A 1 ATOM 109 C CG . LEU A 1 14 ? -0.850 -3.294 -3.905 1.00 92.04 14 A 1 ATOM 110 C CD1 . LEU A 1 14 ? -0.118 -4.635 -3.871 1.00 89.71 14 A 1 ATOM 111 C CD2 . LEU A 1 14 ? -2.353 -3.565 -3.905 1.00 89.65 14 A 1 ATOM 112 N N . LEU A 1 15 ? 0.375 0.491 -3.661 1.00 97.88 15 A 1 ATOM 113 C CA . LEU A 1 15 ? 0.367 1.614 -4.600 1.00 97.78 15 A 1 ATOM 114 C C . LEU A 1 15 ? 1.789 2.078 -4.929 1.00 97.99 15 A 1 ATOM 115 O O . LEU A 1 15 ? 2.112 2.266 -6.103 1.00 97.78 15 A 1 ATOM 116 C CB . LEU A 1 15 ? -0.450 2.768 -4.003 1.00 97.41 15 A 1 ATOM 117 C CG . LEU A 1 15 ? -1.972 2.547 -4.059 1.00 92.94 15 A 1 ATOM 118 C CD1 . LEU A 1 15 ? -2.673 3.582 -3.180 1.00 89.51 15 A 1 ATOM 119 C CD2 . LEU A 1 15 ? -2.509 2.687 -5.484 1.00 89.82 15 A 1 ATOM 120 N N . VAL A 1 16 ? 2.648 2.218 -3.918 1.00 98.17 16 A 1 ATOM 121 C CA . VAL A 1 16 ? 4.054 2.599 -4.105 1.00 98.04 16 A 1 ATOM 122 C C . VAL A 1 16 ? 4.793 1.523 -4.900 1.00 98.13 16 A 1 ATOM 123 O O . VAL A 1 16 ? 5.478 1.849 -5.871 1.00 97.68 16 A 1 ATOM 124 C CB . VAL A 1 16 ? 4.720 2.872 -2.744 1.00 97.42 16 A 1 ATOM 125 C CG1 . VAL A 1 16 ? 6.225 3.104 -2.865 1.00 95.72 16 A 1 ATOM 126 C CG2 . VAL A 1 16 ? 4.123 4.128 -2.100 1.00 96.11 16 A 1 ATOM 127 N N . ALA A 1 17 ? 4.609 0.248 -4.572 1.00 98.38 17 A 1 ATOM 128 C CA . ALA A 1 17 ? 5.215 -0.858 -5.307 1.00 98.33 17 A 1 ATOM 129 C C . ALA A 1 17 ? 4.747 -0.905 -6.771 1.00 98.35 17 A 1 ATOM 130 O O . ALA A 1 17 ? 5.554 -1.166 -7.655 1.00 97.56 17 A 1 ATOM 131 C CB . ALA A 1 17 ? 4.892 -2.167 -4.578 1.00 97.87 17 A 1 ATOM 132 N N . GLY A 1 18 ? 3.486 -0.598 -7.048 1.00 97.69 18 A 1 ATOM 133 C CA . GLY A 1 18 ? 2.972 -0.484 -8.416 1.00 97.46 18 A 1 ATOM 134 C C . GLY A 1 18 ? 3.582 0.687 -9.192 1.00 97.59 18 A 1 ATOM 135 O O . GLY A 1 18 ? 3.796 0.574 -10.397 1.00 96.48 18 A 1 ATOM 136 N N . MET A 1 19 ? 3.905 1.805 -8.516 1.00 97.20 19 A 1 ATOM 137 C CA . MET A 1 19 ? 4.531 2.982 -9.134 1.00 96.95 19 A 1 ATOM 138 C C . MET A 1 19 ? 6.031 2.778 -9.390 1.00 96.95 19 A 1 ATOM 139 O O . MET A 1 19 ? 6.568 3.325 -10.353 1.00 95.05 19 A 1 ATOM 140 C CB . MET A 1 19 ? 4.252 4.201 -8.245 1.00 95.68 19 A 1 ATOM 141 C CG . MET A 1 19 ? 4.379 5.506 -9.015 1.00 90.71 19 A 1 ATOM 142 S SD . MET A 1 19 ? 3.739 6.930 -8.099 1.00 82.45 19 A 1 ATOM 143 C CE . MET A 1 19 ? 3.920 8.212 -9.352 1.00 73.30 19 A 1 ATOM 144 N N . PHE A 1 20 ? 6.703 1.972 -8.548 1.00 96.07 20 A 1 ATOM 145 C CA . PHE A 1 20 ? 8.110 1.584 -8.694 1.00 95.40 20 A 1 ATOM 146 C C . PHE A 1 20 ? 8.273 0.193 -9.324 1.00 95.29 20 A 1 ATOM 147 O O . PHE A 1 20 ? 9.376 -0.356 -9.318 1.00 92.74 20 A 1 ATOM 148 C CB . PHE A 1 20 ? 8.812 1.686 -7.335 1.00 93.80 20 A 1 ATOM 149 C CG . PHE A 1 20 ? 9.038 3.106 -6.866 1.00 91.29 20 A 1 ATOM 150 C CD1 . PHE A 1 20 ? 10.106 3.845 -7.392 1.00 85.54 20 A 1 ATOM 151 C CD2 . PHE A 1 20 ? 8.204 3.690 -5.908 1.00 85.28 20 A 1 ATOM 152 C CE1 . PHE A 1 20 ? 10.335 5.158 -6.964 1.00 84.19 20 A 1 ATOM 153 C CE2 . PHE A 1 20 ? 8.429 5.006 -5.478 1.00 83.52 20 A 1 ATOM 154 C CZ . PHE A 1 20 ? 9.496 5.740 -6.007 1.00 83.03 20 A 1 ATOM 155 N N . GLY A 1 21 ? 7.199 -0.396 -9.866 1.00 90.70 21 A 1 ATOM 156 C CA . GLY A 1 21 ? 7.204 -1.681 -10.555 1.00 86.28 21 A 1 ATOM 157 C C . GLY A 1 21 ? 7.961 -1.583 -11.879 1.00 83.84 21 A 1 ATOM 158 O O . GLY A 1 21 ? 7.360 -1.351 -12.921 1.00 75.10 21 A 1 ATOM 159 N N . GLY A 1 22 ? 9.273 -1.752 -11.795 1.00 87.30 22 A 1 ATOM 160 C CA . GLY A 1 22 ? 10.183 -1.994 -12.906 1.00 81.12 22 A 1 ATOM 161 C C . GLY A 1 22 ? 10.767 -3.390 -12.809 1.00 73.58 22 A 1 ATOM 162 O O . GLY A 1 22 ? 11.005 -3.865 -11.677 1.00 64.31 22 A 1 ATOM 163 O OXT . GLY A 1 22 ? 11.011 -4.012 -13.890 1.00 72.40 22 A 1 #