# 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_spkb43124 # _entry.id spkb43124 # 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 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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)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" # _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 THR 3 1 n LYS 4 1 n GLY 5 1 n ILE 6 1 n ILE 7 1 n ALA 8 1 n LYS 9 1 n LEU 10 1 n THR 11 1 n ALA 12 1 n GLY 13 1 n ALA 14 1 n LEU 15 1 n ILE 16 1 n ALA 17 1 n ASN 18 1 n LEU 19 1 n LEU 20 1 n ILE 21 1 n CYS 22 1 n PRO 23 1 n ALA 24 1 n ASN 25 1 n THR 26 1 n LEU 27 1 n ALA 28 # _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 10:50:15)" _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 89.35 _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 76.10 1 1 A ASN 2 2 86.44 1 2 A THR 3 2 92.85 1 3 A LYS 4 2 90.67 1 4 A GLY 5 2 96.22 1 5 A ILE 6 2 93.14 1 6 A ILE 7 2 94.58 1 7 A ALA 8 2 96.89 1 8 A LYS 9 2 90.97 1 9 A LEU 10 2 92.96 1 10 A THR 11 2 93.71 1 11 A ALA 12 2 96.86 1 12 A GLY 13 2 96.27 1 13 A ALA 14 2 95.89 1 14 A LEU 15 2 90.93 1 15 A ILE 16 2 93.82 1 16 A ALA 17 2 95.53 1 17 A ASN 18 2 89.11 1 18 A LEU 19 2 89.27 1 19 A LEU 20 2 89.87 1 20 A ILE 21 2 90.03 1 21 A CYS 22 2 87.53 1 22 A PRO 23 2 90.47 1 23 A ALA 24 2 89.93 1 24 A ASN 25 2 81.19 1 25 A THR 26 2 80.79 1 26 A LEU 27 2 78.54 1 27 A ALA 28 2 74.12 1 28 # _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 THR . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n LYS . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n ASN . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ILE . 21 A 21 A 22 1 n CYS . 22 A 22 A 23 1 n PRO . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n ASN . 25 A 25 A 26 1 n THR . 26 A 26 A 27 1 n LEU . 27 A 27 A 28 1 n ALA . 28 A 28 # _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 ? -6.368 22.081 4.845 1.00 83.85 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.712 20.747 4.834 1.00 85.51 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.067 20.537 3.475 1.00 86.52 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.717 20.795 2.466 1.00 80.16 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.722 19.624 5.124 1.00 77.41 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.553 19.035 6.527 1.00 70.65 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.863 17.854 6.930 1.00 64.96 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.164 17.069 8.407 1.00 59.73 1 A 1 ATOM 9 N N . ASN A 1 2 ? -3.809 20.115 3.402 1.00 90.74 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -3.109 19.901 2.136 1.00 92.55 2 A 1 ATOM 11 C C . ASN A 1 2 ? -3.411 18.484 1.617 1.00 93.67 2 A 1 ATOM 12 O O . ASN A 1 2 ? -2.923 17.503 2.176 1.00 92.55 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -1.611 20.184 2.331 1.00 88.87 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -0.862 20.260 1.009 1.00 81.54 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -1.349 19.882 -0.040 1.00 77.07 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? 0.350 20.766 1.026 1.00 74.55 2 A 1 ATOM 17 N N . THR A 1 3 ? -4.206 18.369 0.554 1.00 95.88 3 A 1 ATOM 18 C CA . THR A 1 3 ? -4.648 17.095 -0.045 1.00 95.97 3 A 1 ATOM 19 C C . THR A 1 3 ? -3.467 16.198 -0.428 1.00 96.24 3 A 1 ATOM 20 O O . THR A 1 3 ? -3.518 14.989 -0.213 1.00 95.23 3 A 1 ATOM 21 C CB . THR A 1 3 ? -5.505 17.379 -1.291 1.00 94.97 3 A 1 ATOM 22 O OG1 . THR A 1 3 ? -6.453 18.382 -0.996 1.00 87.98 3 A 1 ATOM 23 C CG2 . THR A 1 3 ? -6.272 16.154 -1.778 1.00 83.69 3 A 1 ATOM 24 N N . LYS A 1 4 ? -2.362 16.773 -0.903 1.00 96.86 4 A 1 ATOM 25 C CA . LYS A 1 4 ? -1.133 16.032 -1.244 1.00 96.71 4 A 1 ATOM 26 C C . LYS A 1 4 ? -0.531 15.310 -0.033 1.00 96.99 4 A 1 ATOM 27 O O . LYS A 1 4 ? -0.093 14.169 -0.153 1.00 96.23 4 A 1 ATOM 28 C CB . LYS A 1 4 ? -0.092 16.979 -1.865 1.00 95.92 4 A 1 ATOM 29 C CG . LYS A 1 4 ? -0.545 17.577 -3.210 1.00 91.55 4 A 1 ATOM 30 C CD . LYS A 1 4 ? 0.566 18.442 -3.827 1.00 87.09 4 A 1 ATOM 31 C CE . LYS A 1 4 ? 0.124 19.007 -5.184 1.00 81.03 4 A 1 ATOM 32 N NZ . LYS A 1 4 ? 1.195 19.811 -5.840 1.00 73.65 4 A 1 ATOM 33 N N . GLY A 1 5 ? -0.544 15.932 1.138 1.00 96.15 5 A 1 ATOM 34 C CA . GLY A 1 5 ? -0.044 15.329 2.378 1.00 96.00 5 A 1 ATOM 35 C C . GLY A 1 5 ? -0.912 14.172 2.878 1.00 96.69 5 A 1 ATOM 36 O O . GLY A 1 5 ? -0.382 13.192 3.398 1.00 96.03 5 A 1 ATOM 37 N N . ILE A 1 6 ? -2.235 14.244 2.684 1.00 96.02 6 A 1 ATOM 38 C CA . ILE A 1 6 ? -3.169 13.167 3.044 1.00 95.95 6 A 1 ATOM 39 C C . ILE A 1 6 ? -2.950 11.957 2.136 1.00 96.37 6 A 1 ATOM 40 O O . ILE A 1 6 ? -2.790 10.846 2.633 1.00 96.16 6 A 1 ATOM 41 C CB . ILE A 1 6 ? -4.630 13.665 3.005 1.00 95.66 6 A 1 ATOM 42 C CG1 . ILE A 1 6 ? -4.842 14.774 4.064 1.00 91.87 6 A 1 ATOM 43 C CG2 . ILE A 1 6 ? -5.610 12.503 3.242 1.00 89.42 6 A 1 ATOM 44 C CD1 . ILE A 1 6 ? -6.200 15.477 3.953 1.00 83.68 6 A 1 ATOM 45 N N . ILE A 1 7 ? -2.870 12.158 0.818 1.00 97.21 7 A 1 ATOM 46 C CA . ILE A 1 7 ? -2.625 11.089 -0.160 1.00 97.08 7 A 1 ATOM 47 C C . ILE A 1 7 ? -1.299 10.385 0.140 1.00 96.94 7 A 1 ATOM 48 O O . ILE A 1 7 ? -1.269 9.160 0.225 1.00 96.86 7 A 1 ATOM 49 C CB . ILE A 1 7 ? -2.673 11.649 -1.593 1.00 96.91 7 A 1 ATOM 50 C CG1 . ILE A 1 7 ? -4.103 12.142 -1.925 1.00 93.92 7 A 1 ATOM 51 C CG2 . ILE A 1 7 ? -2.241 10.579 -2.615 1.00 91.93 7 A 1 ATOM 52 C CD1 . ILE A 1 7 ? -4.185 12.973 -3.211 1.00 85.79 7 A 1 ATOM 53 N N . ALA A 1 8 ? -0.218 11.120 0.388 1.00 97.35 8 A 1 ATOM 54 C CA . ALA A 1 8 ? 1.086 10.542 0.713 1.00 96.98 8 A 1 ATOM 55 C C . ALA A 1 8 ? 1.046 9.651 1.970 1.00 97.10 8 A 1 ATOM 56 O O . ALA A 1 8 ? 1.620 8.561 1.972 1.00 96.71 8 A 1 ATOM 57 C CB . ALA A 1 8 ? 2.096 11.684 0.877 1.00 96.29 8 A 1 ATOM 58 N N . LYS A 1 9 ? 0.332 10.064 3.021 1.00 96.91 9 A 1 ATOM 59 C CA . LYS A 1 9 ? 0.159 9.268 4.245 1.00 96.68 9 A 1 ATOM 60 C C . LYS A 1 9 ? -0.659 8.000 4.007 1.00 96.97 9 A 1 ATOM 61 O O . LYS A 1 9 ? -0.293 6.948 4.522 1.00 96.85 9 A 1 ATOM 62 C CB . LYS A 1 9 ? -0.487 10.112 5.348 1.00 96.37 9 A 1 ATOM 63 C CG . LYS A 1 9 ? 0.497 11.129 5.937 1.00 89.69 9 A 1 ATOM 64 C CD . LYS A 1 9 ? -0.199 11.954 7.027 1.00 86.88 9 A 1 ATOM 65 C CE . LYS A 1 9 ? 0.797 12.947 7.640 1.00 81.63 9 A 1 ATOM 66 N NZ . LYS A 1 9 ? 0.208 13.654 8.809 1.00 76.75 9 A 1 ATOM 67 N N . LEU A 1 10 ? -1.736 8.076 3.222 1.00 96.45 10 A 1 ATOM 68 C CA . LEU A 1 10 ? -2.564 6.918 2.880 1.00 96.29 10 A 1 ATOM 69 C C . LEU A 1 10 ? -1.785 5.901 2.037 1.00 96.68 10 A 1 ATOM 70 O O . LEU A 1 10 ? -1.810 4.713 2.347 1.00 96.46 10 A 1 ATOM 71 C CB . LEU A 1 10 ? -3.828 7.382 2.138 1.00 95.99 10 A 1 ATOM 72 C CG . LEU A 1 10 ? -4.842 8.134 3.021 1.00 88.66 10 A 1 ATOM 73 C CD1 . LEU A 1 10 ? -5.952 8.706 2.137 1.00 85.68 10 A 1 ATOM 74 C CD2 . LEU A 1 10 ? -5.479 7.228 4.071 1.00 87.45 10 A 1 ATOM 75 N N . THR A 1 11 ? -1.036 6.345 1.031 1.00 96.25 11 A 1 ATOM 76 C CA . THR A 1 11 ? -0.194 5.475 0.200 1.00 95.93 11 A 1 ATOM 77 C C . THR A 1 11 ? 0.899 4.799 1.026 1.00 95.83 11 A 1 ATOM 78 O O . THR A 1 11 ? 1.075 3.589 0.925 1.00 95.39 11 A 1 ATOM 79 C CB . THR A 1 11 ? 0.438 6.272 -0.949 1.00 95.58 11 A 1 ATOM 80 O OG1 . THR A 1 11 ? -0.564 6.910 -1.705 1.00 90.32 11 A 1 ATOM 81 C CG2 . THR A 1 11 ? 1.218 5.388 -1.921 1.00 86.69 11 A 1 ATOM 82 N N . ALA A 1 12 ? 1.600 5.524 1.893 1.00 97.17 12 A 1 ATOM 83 C CA . ALA A 1 12 ? 2.614 4.949 2.774 1.00 97.06 12 A 1 ATOM 84 C C . ALA A 1 12 ? 2.018 3.912 3.742 1.00 97.13 12 A 1 ATOM 85 O O . ALA A 1 12 ? 2.578 2.831 3.902 1.00 96.43 12 A 1 ATOM 86 C CB . ALA A 1 12 ? 3.309 6.088 3.533 1.00 96.53 12 A 1 ATOM 87 N N . GLY A 1 13 ? 0.858 4.196 4.338 1.00 96.75 13 A 1 ATOM 88 C CA . GLY A 1 13 ? 0.151 3.256 5.212 1.00 96.30 13 A 1 ATOM 89 C C . GLY A 1 13 ? -0.271 1.977 4.490 1.00 96.37 13 A 1 ATOM 90 O O . GLY A 1 13 ? -0.076 0.888 5.026 1.00 95.66 13 A 1 ATOM 91 N N . ALA A 1 14 ? -0.778 2.068 3.255 1.00 96.69 14 A 1 ATOM 92 C CA . ALA A 1 14 ? -1.161 0.910 2.443 1.00 96.23 14 A 1 ATOM 93 C C . ALA A 1 14 ? 0.044 0.026 2.082 1.00 96.15 14 A 1 ATOM 94 O O . ALA A 1 14 ? -0.046 -1.197 2.180 1.00 94.58 14 A 1 ATOM 95 C CB . ALA A 1 14 ? -1.884 1.411 1.185 1.00 95.80 14 A 1 ATOM 96 N N . LEU A 1 15 ? 1.191 0.608 1.731 1.00 95.10 15 A 1 ATOM 97 C CA . LEU A 1 15 ? 2.421 -0.136 1.442 1.00 94.38 15 A 1 ATOM 98 C C . LEU A 1 15 ? 2.932 -0.886 2.677 1.00 95.00 15 A 1 ATOM 99 O O . LEU A 1 15 ? 3.253 -2.067 2.586 1.00 94.68 15 A 1 ATOM 100 C CB . LEU A 1 15 ? 3.500 0.827 0.923 1.00 93.79 15 A 1 ATOM 101 C CG . LEU A 1 15 ? 3.236 1.374 -0.489 1.00 86.09 15 A 1 ATOM 102 C CD1 . LEU A 1 15 ? 4.253 2.470 -0.806 1.00 83.28 15 A 1 ATOM 103 C CD2 . LEU A 1 15 ? 3.348 0.285 -1.554 1.00 85.12 15 A 1 ATOM 104 N N . ILE A 1 16 ? 2.956 -0.239 3.837 1.00 94.80 16 A 1 ATOM 105 C CA . ILE A 1 16 ? 3.363 -0.864 5.103 1.00 95.03 16 A 1 ATOM 106 C C . ILE A 1 16 ? 2.415 -2.014 5.460 1.00 95.14 16 A 1 ATOM 107 O O . ILE A 1 16 ? 2.879 -3.097 5.818 1.00 95.07 16 A 1 ATOM 108 C CB . ILE A 1 16 ? 3.432 0.191 6.222 1.00 95.37 16 A 1 ATOM 109 C CG1 . ILE A 1 16 ? 4.583 1.189 5.949 1.00 93.95 16 A 1 ATOM 110 C CG2 . ILE A 1 16 ? 3.636 -0.469 7.601 1.00 92.60 16 A 1 ATOM 111 C CD1 . ILE A 1 16 ? 4.500 2.463 6.793 1.00 88.62 16 A 1 ATOM 112 N N . ALA A 1 17 ? 1.102 -1.827 5.331 1.00 96.11 17 A 1 ATOM 113 C CA . ALA A 1 17 ? 0.118 -2.871 5.599 1.00 95.82 17 A 1 ATOM 114 C C . ALA A 1 17 ? 0.312 -4.089 4.681 1.00 95.68 17 A 1 ATOM 115 O O . ALA A 1 17 ? 0.330 -5.216 5.170 1.00 94.61 17 A 1 ATOM 116 C CB . ALA A 1 17 ? -1.287 -2.275 5.471 1.00 95.44 17 A 1 ATOM 117 N N . ASN A 1 18 ? 0.536 -3.900 3.378 1.00 94.29 18 A 1 ATOM 118 C CA . ASN A 1 18 ? 0.804 -4.997 2.444 1.00 93.01 18 A 1 ATOM 119 C C . ASN A 1 18 ? 2.082 -5.761 2.797 1.00 93.06 18 A 1 ATOM 120 O O . ASN A 1 18 ? 2.078 -6.989 2.792 1.00 91.92 18 A 1 ATOM 121 C CB . ASN A 1 18 ? 0.881 -4.451 1.010 1.00 91.96 18 A 1 ATOM 122 C CG . ASN A 1 18 ? -0.475 -4.306 0.354 1.00 86.23 18 A 1 ATOM 123 O OD1 . ASN A 1 18 ? -1.493 -4.784 0.814 1.00 81.46 18 A 1 ATOM 124 N ND2 . ASN A 1 18 ? -0.522 -3.658 -0.791 1.00 80.95 18 A 1 ATOM 125 N N . LEU A 1 19 ? 3.165 -5.075 3.168 1.00 93.67 19 A 1 ATOM 126 C CA . LEU A 1 19 ? 4.420 -5.711 3.582 1.00 93.32 19 A 1 ATOM 127 C C . LEU A 1 19 ? 4.268 -6.519 4.879 1.00 94.06 19 A 1 ATOM 128 O O . LEU A 1 19 ? 4.890 -7.570 5.016 1.00 92.84 19 A 1 ATOM 129 C CB . LEU A 1 19 ? 5.505 -4.637 3.753 1.00 92.63 19 A 1 ATOM 130 C CG . LEU A 1 19 ? 6.002 -4.036 2.427 1.00 84.39 19 A 1 ATOM 131 C CD1 . LEU A 1 19 ? 6.877 -2.818 2.717 1.00 80.63 19 A 1 ATOM 132 C CD2 . LEU A 1 19 ? 6.824 -5.042 1.623 1.00 82.65 19 A 1 ATOM 133 N N . LEU A 1 20 ? 3.442 -6.069 5.821 1.00 94.10 20 A 1 ATOM 134 C CA . LEU A 1 20 ? 3.212 -6.764 7.091 1.00 93.99 20 A 1 ATOM 135 C C . LEU A 1 20 ? 2.256 -7.955 6.954 1.00 94.33 20 A 1 ATOM 136 O O . LEU A 1 20 ? 2.473 -8.985 7.587 1.00 93.42 20 A 1 ATOM 137 C CB . LEU A 1 20 ? 2.668 -5.762 8.121 1.00 93.43 20 A 1 ATOM 138 C CG . LEU A 1 20 ? 3.699 -4.733 8.613 1.00 86.06 20 A 1 ATOM 139 C CD1 . LEU A 1 20 ? 2.993 -3.690 9.486 1.00 81.38 20 A 1 ATOM 140 C CD2 . LEU A 1 20 ? 4.807 -5.378 9.443 1.00 82.22 20 A 1 ATOM 141 N N . ILE A 1 21 ? 1.195 -7.834 6.139 1.00 93.47 21 A 1 ATOM 142 C CA . ILE A 1 21 ? 0.140 -8.850 6.026 1.00 92.96 21 A 1 ATOM 143 C C . ILE A 1 21 ? 0.521 -9.940 5.021 1.00 92.83 21 A 1 ATOM 144 O O . ILE A 1 21 ? 0.300 -11.123 5.283 1.00 91.79 21 A 1 ATOM 145 C CB . ILE A 1 21 ? -1.206 -8.181 5.674 1.00 92.18 21 A 1 ATOM 146 C CG1 . ILE A 1 21 ? -1.668 -7.237 6.811 1.00 88.76 21 A 1 ATOM 147 C CG2 . ILE A 1 21 ? -2.299 -9.241 5.401 1.00 86.73 21 A 1 ATOM 148 C CD1 . ILE A 1 21 ? -2.816 -6.305 6.411 1.00 81.54 21 A 1 ATOM 149 N N . CYS A 1 22 ? 1.077 -9.575 3.856 1.00 91.56 22 A 1 ATOM 150 C CA . CYS A 1 22 ? 1.405 -10.540 2.805 1.00 90.47 22 A 1 ATOM 151 C C . CYS A 1 22 ? 2.624 -10.095 1.974 1.00 91.16 22 A 1 ATOM 152 O O . CYS A 1 22 ? 2.479 -9.648 0.833 1.00 90.01 22 A 1 ATOM 153 C CB . CYS A 1 22 ? 0.157 -10.781 1.947 1.00 86.53 22 A 1 ATOM 154 S SG . CYS A 1 22 ? 0.406 -12.275 0.952 1.00 75.43 22 A 1 ATOM 155 N N . PRO A 1 23 ? 3.854 -10.247 2.517 1.00 91.42 23 A 1 ATOM 156 C CA . PRO A 1 23 ? 5.075 -9.838 1.821 1.00 91.49 23 A 1 ATOM 157 C C . PRO A 1 23 ? 5.280 -10.593 0.501 1.00 91.61 23 A 1 ATOM 158 O O . PRO A 1 23 ? 5.734 -10.005 -0.476 1.00 89.89 23 A 1 ATOM 159 C CB . PRO A 1 23 ? 6.212 -10.098 2.819 1.00 90.08 23 A 1 ATOM 160 C CG . PRO A 1 23 ? 5.657 -11.151 3.774 1.00 88.09 23 A 1 ATOM 161 C CD . PRO A 1 23 ? 4.168 -10.816 3.822 1.00 90.70 23 A 1 ATOM 162 N N . ALA A 1 24 ? 4.884 -11.870 0.430 1.00 90.39 24 A 1 ATOM 163 C CA . ALA A 1 24 ? 4.975 -12.677 -0.786 1.00 90.42 24 A 1 ATOM 164 C C . ALA A 1 24 ? 4.137 -12.102 -1.938 1.00 90.42 24 A 1 ATOM 165 O O . ALA A 1 24 ? 4.607 -12.046 -3.067 1.00 89.33 24 A 1 ATOM 166 C CB . ALA A 1 24 ? 4.552 -14.112 -0.450 1.00 89.09 24 A 1 ATOM 167 N N . ASN A 1 25 ? 2.928 -11.616 -1.652 1.00 87.59 25 A 1 ATOM 168 C CA . ASN A 1 25 ? 2.062 -11.011 -2.666 1.00 86.64 25 A 1 ATOM 169 C C . ASN A 1 25 ? 2.543 -9.625 -3.122 1.00 85.94 25 A 1 ATOM 170 O O . ASN A 1 25 ? 2.187 -9.171 -4.199 1.00 84.80 25 A 1 ATOM 171 C CB . ASN A 1 25 ? 0.638 -10.951 -2.096 1.00 84.81 25 A 1 ATOM 172 C CG . ASN A 1 25 ? -0.395 -10.659 -3.158 1.00 77.23 25 A 1 ATOM 173 O OD1 . ASN A 1 25 ? -0.427 -11.261 -4.213 1.00 71.91 25 A 1 ATOM 174 N ND2 . ASN A 1 25 ? -1.304 -9.746 -2.910 1.00 70.58 25 A 1 ATOM 175 N N . THR A 1 26 ? 3.344 -8.949 -2.294 1.00 83.67 26 A 1 ATOM 176 C CA . THR A 1 26 ? 3.916 -7.630 -2.627 1.00 82.74 26 A 1 ATOM 177 C C . THR A 1 26 ? 5.189 -7.754 -3.471 1.00 81.46 26 A 1 ATOM 178 O O . THR A 1 26 ? 5.524 -6.836 -4.212 1.00 80.09 26 A 1 ATOM 179 C CB . THR A 1 26 ? 4.211 -6.842 -1.345 1.00 82.56 26 A 1 ATOM 180 O OG1 . THR A 1 26 ? 3.074 -6.819 -0.511 1.00 77.88 26 A 1 ATOM 181 C CG2 . THR A 1 26 ? 4.573 -5.384 -1.606 1.00 77.14 26 A 1 ATOM 182 N N . LEU A 1 27 ? 5.906 -8.874 -3.360 1.00 84.74 27 A 1 ATOM 183 C CA . LEU A 1 27 ? 7.187 -9.132 -4.031 1.00 83.88 27 A 1 ATOM 184 C C . LEU A 1 27 ? 7.068 -10.072 -5.243 1.00 84.53 27 A 1 ATOM 185 O O . LEU A 1 27 ? 8.049 -10.247 -5.962 1.00 83.40 27 A 1 ATOM 186 C CB . LEU A 1 27 ? 8.174 -9.709 -2.999 1.00 82.13 27 A 1 ATOM 187 C CG . LEU A 1 27 ? 8.548 -8.752 -1.855 1.00 73.10 27 A 1 ATOM 188 C CD1 . LEU A 1 27 ? 9.370 -9.509 -0.810 1.00 68.34 27 A 1 ATOM 189 C CD2 . LEU A 1 27 ? 9.387 -7.573 -2.352 1.00 68.17 27 A 1 ATOM 190 N N . ALA A 1 28 ? 5.915 -10.709 -5.449 1.00 79.90 28 A 1 ATOM 191 C CA . ALA A 1 28 ? 5.649 -11.611 -6.568 1.00 79.07 28 A 1 ATOM 192 C C . ALA A 1 28 ? 5.208 -10.876 -7.839 1.00 74.90 28 A 1 ATOM 193 O O . ALA A 1 28 ? 4.597 -9.794 -7.719 1.00 71.92 28 A 1 ATOM 194 C CB . ALA A 1 28 ? 4.620 -12.654 -6.133 1.00 73.61 28 A 1 ATOM 195 O OXT . ALA A 1 28 ? 5.459 -11.439 -8.941 1.00 65.34 28 A 1 #