# 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_ads38_ # _entry.id ads38_ # 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" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([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 LEU 1 1 n LYS 2 1 n LEU 3 1 n ILE 4 1 n ALA 5 1 n PHE 6 1 n PHE 7 1 n SER 8 1 n PRO 9 1 n ILE 10 1 n ASP 11 1 n LEU 12 1 n ILE 13 1 n ASN 14 1 n PRO 15 1 n ALA 16 1 n ASN 17 1 n ARG 18 1 n PRO 19 1 n ILE 20 1 n ILE 21 1 n LYS 22 1 n GLY 23 1 n TRP 24 1 n LYS 25 1 n GLY 26 1 n MET 27 1 n VAL 28 1 n LEU 29 1 n PHE 30 1 n ILE 31 # _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 (3.0.1 @ 2025-04-07 01:35:15)" _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 62.34 _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 LEU 1 2 53.92 1 1 A LYS 2 2 55.82 1 2 A LEU 3 2 58.25 1 3 A ILE 4 2 62.95 1 4 A ALA 5 2 67.18 1 5 A PHE 6 2 60.47 1 6 A PHE 7 2 63.76 1 7 A SER 8 2 71.57 1 8 A PRO 9 2 74.67 1 9 A ILE 10 2 74.49 1 10 A ASP 11 2 66.17 1 11 A LEU 12 2 68.56 1 12 A ILE 13 2 73.66 1 13 A ASN 14 2 72.22 1 14 A PRO 15 2 73.16 1 15 A ALA 16 2 76.60 1 16 A ASN 17 2 67.83 1 17 A ARG 18 2 62.51 1 18 A PRO 19 2 65.82 1 19 A ILE 20 2 62.08 1 20 A ILE 21 2 61.09 1 21 A LYS 22 2 61.11 1 22 A GLY 23 2 62.28 1 23 A TRP 24 2 50.98 1 24 A LYS 25 2 56.54 1 25 A GLY 26 2 57.70 1 26 A MET 27 2 53.90 1 27 A VAL 28 2 58.30 1 28 A LEU 29 2 58.38 1 29 A PHE 30 2 52.63 1 30 A ILE 31 2 53.06 1 31 # _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 LEU . 1 A 1 A 2 1 n LYS . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n ASP . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n ASN . 14 A 14 A 15 1 n PRO . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n ASN . 17 A 17 A 18 1 n ARG . 18 A 18 A 19 1 n PRO . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n ILE . 21 A 21 A 22 1 n LYS . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n TRP . 24 A 24 A 25 1 n LYS . 25 A 25 A 26 1 n GLY . 26 A 26 A 27 1 n MET . 27 A 27 A 28 1 n VAL . 28 A 28 A 29 1 n LEU . 29 A 29 A 30 1 n PHE . 30 A 30 A 31 1 n ILE . 31 A 31 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _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 . LEU A 1 1 ? -11.856 10.828 -5.625 1.00 50.38 1 A 1 ATOM 2 C CA . LEU A 1 1 ? -10.656 11.281 -4.886 1.00 57.53 1 A 1 ATOM 3 C C . LEU A 1 1 ? -9.683 10.112 -4.786 1.00 60.15 1 A 1 ATOM 4 O O . LEU A 1 1 ? -10.066 9.075 -4.254 1.00 56.88 1 A 1 ATOM 5 C CB . LEU A 1 1 ? -11.034 11.790 -3.473 1.00 55.69 1 A 1 ATOM 6 C CG . LEU A 1 1 ? -10.789 13.297 -3.263 1.00 51.36 1 A 1 ATOM 7 C CD1 . LEU A 1 1 ? -11.902 14.129 -3.888 1.00 49.15 1 A 1 ATOM 8 C CD2 . LEU A 1 1 ? -10.708 13.618 -1.770 1.00 50.20 1 A 1 ATOM 9 N N . LYS A 1 2 ? -8.457 10.216 -5.334 1.00 55.77 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -7.379 9.228 -5.116 1.00 60.30 2 A 1 ATOM 11 C C . LYS A 1 2 ? -6.593 9.667 -3.881 1.00 61.05 2 A 1 ATOM 12 O O . LYS A 1 2 ? -6.006 10.747 -3.897 1.00 60.46 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -6.465 9.119 -6.358 1.00 59.19 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -6.743 7.870 -7.204 1.00 54.28 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -5.811 7.810 -8.427 1.00 53.58 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -5.988 6.495 -9.199 1.00 50.68 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -5.118 6.429 -10.407 1.00 47.10 2 A 1 ATOM 18 N N . LEU A 1 3 ? -6.605 8.857 -2.824 1.00 58.52 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -5.753 9.070 -1.657 1.00 61.77 3 A 1 ATOM 20 C C . LEU A 1 3 ? -4.364 8.516 -2.001 1.00 63.36 3 A 1 ATOM 21 O O . LEU A 1 3 ? -4.223 7.311 -2.209 1.00 61.39 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -6.389 8.388 -0.422 1.00 60.29 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -6.112 9.153 0.887 1.00 55.37 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -7.247 10.147 1.161 1.00 51.68 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -6.024 8.197 2.074 1.00 53.64 3 A 1 ATOM 26 N N . ILE A 1 4 ? -3.366 9.388 -2.140 1.00 64.24 4 A 1 ATOM 27 C CA . ILE A 1 4 ? -1.970 8.991 -2.353 1.00 65.64 4 A 1 ATOM 28 C C . ILE A 1 4 ? -1.283 9.127 -0.997 1.00 64.68 4 A 1 ATOM 29 O O . ILE A 1 4 ? -1.156 10.235 -0.481 1.00 62.13 4 A 1 ATOM 30 C CB . ILE A 1 4 ? -1.298 9.833 -3.459 1.00 65.32 4 A 1 ATOM 31 C CG1 . ILE A 1 4 ? -2.059 9.682 -4.801 1.00 62.60 4 A 1 ATOM 32 C CG2 . ILE A 1 4 ? 0.174 9.402 -3.622 1.00 61.45 4 A 1 ATOM 33 C CD1 . ILE A 1 4 ? -1.543 10.594 -5.923 1.00 57.50 4 A 1 ATOM 34 N N . ALA A 1 5 ? -0.897 7.997 -0.392 1.00 68.70 5 A 1 ATOM 35 C CA . ALA A 1 5 ? -0.107 7.992 0.828 1.00 68.11 5 A 1 ATOM 36 C C . ALA A 1 5 ? 1.380 7.990 0.451 1.00 67.65 5 A 1 ATOM 37 O O . ALA A 1 5 ? 1.818 7.153 -0.336 1.00 65.90 5 A 1 ATOM 38 C CB . ALA A 1 5 ? -0.515 6.786 1.688 1.00 65.55 5 A 1 ATOM 39 N N . PHE A 1 6 ? 2.136 8.937 0.991 1.00 66.11 6 A 1 ATOM 40 C CA . PHE A 1 6 ? 3.588 8.991 0.859 1.00 67.08 6 A 1 ATOM 41 C C . PHE A 1 6 ? 4.201 8.302 2.077 1.00 67.89 6 A 1 ATOM 42 O O . PHE A 1 6 ? 3.917 8.691 3.207 1.00 65.83 6 A 1 ATOM 43 C CB . PHE A 1 6 ? 4.051 10.448 0.730 1.00 65.37 6 A 1 ATOM 44 C CG . PHE A 1 6 ? 3.612 11.117 -0.563 1.00 61.47 6 A 1 ATOM 45 C CD1 . PHE A 1 6 ? 4.406 11.002 -1.716 1.00 57.99 6 A 1 ATOM 46 C CD2 . PHE A 1 6 ? 2.408 11.841 -0.616 1.00 57.01 6 A 1 ATOM 47 C CE1 . PHE A 1 6 ? 4.001 11.614 -2.919 1.00 53.08 6 A 1 ATOM 48 C CE2 . PHE A 1 6 ? 1.997 12.445 -1.821 1.00 52.28 6 A 1 ATOM 49 C CZ . PHE A 1 6 ? 2.794 12.335 -2.973 1.00 51.09 6 A 1 ATOM 50 N N . PHE A 1 7 ? 5.011 7.277 1.844 1.00 69.85 7 A 1 ATOM 51 C CA . PHE A 1 7 ? 5.743 6.574 2.892 1.00 69.87 7 A 1 ATOM 52 C C . PHE A 1 7 ? 7.218 6.945 2.802 1.00 70.55 7 A 1 ATOM 53 O O . PHE A 1 7 ? 7.774 7.037 1.704 1.00 68.29 7 A 1 ATOM 54 C CB . PHE A 1 7 ? 5.515 5.063 2.777 1.00 68.17 7 A 1 ATOM 55 C CG . PHE A 1 7 ? 4.069 4.658 3.003 1.00 64.60 7 A 1 ATOM 56 C CD1 . PHE A 1 7 ? 3.591 4.467 4.311 1.00 61.13 7 A 1 ATOM 57 C CD2 . PHE A 1 7 ? 3.195 4.515 1.910 1.00 60.42 7 A 1 ATOM 58 C CE1 . PHE A 1 7 ? 2.242 4.128 4.526 1.00 56.76 7 A 1 ATOM 59 C CE2 . PHE A 1 7 ? 1.840 4.182 2.129 1.00 55.77 7 A 1 ATOM 60 C CZ . PHE A 1 7 ? 1.366 3.989 3.436 1.00 55.93 7 A 1 ATOM 61 N N . SER A 1 8 ? 7.866 7.154 3.945 1.00 73.15 8 A 1 ATOM 62 C CA . SER A 1 8 ? 9.312 7.356 4.001 1.00 73.57 8 A 1 ATOM 63 C C . SER A 1 8 ? 10.025 6.039 3.658 1.00 73.36 8 A 1 ATOM 64 O O . SER A 1 8 ? 9.533 4.971 4.035 1.00 72.15 8 A 1 ATOM 65 C CB . SER A 1 8 ? 9.708 7.846 5.398 1.00 71.90 8 A 1 ATOM 66 O OG . SER A 1 8 ? 11.106 7.997 5.504 1.00 65.27 8 A 1 ATOM 67 N N . PRO A 1 9 ? 11.204 6.063 3.021 1.00 75.53 9 A 1 ATOM 68 C CA . PRO A 1 9 ? 12.022 4.862 2.823 1.00 76.04 9 A 1 ATOM 69 C C . PRO A 1 9 ? 12.284 4.078 4.119 1.00 76.27 9 A 1 ATOM 70 O O . PRO A 1 9 ? 12.401 2.856 4.093 1.00 73.50 9 A 1 ATOM 71 C CB . PRO A 1 9 ? 13.334 5.369 2.214 1.00 73.94 9 A 1 ATOM 72 C CG . PRO A 1 9 ? 12.945 6.684 1.538 1.00 71.50 9 A 1 ATOM 73 C CD . PRO A 1 9 ? 11.838 7.232 2.428 1.00 75.91 9 A 1 ATOM 74 N N . ILE A 1 10 ? 12.333 4.769 5.258 1.00 77.83 10 A 1 ATOM 75 C CA . ILE A 1 10 ? 12.515 4.170 6.589 1.00 77.30 10 A 1 ATOM 76 C C . ILE A 1 10 ? 11.293 3.328 6.991 1.00 76.18 10 A 1 ATOM 77 O O . ILE A 1 10 ? 11.446 2.266 7.595 1.00 72.78 10 A 1 ATOM 78 C CB . ILE A 1 10 ? 12.822 5.283 7.620 1.00 77.78 10 A 1 ATOM 79 C CG1 . ILE A 1 10 ? 14.128 6.025 7.234 1.00 74.39 10 A 1 ATOM 80 C CG2 . ILE A 1 10 ? 12.930 4.707 9.043 1.00 72.10 10 A 1 ATOM 81 C CD1 . ILE A 1 10 ? 14.395 7.297 8.051 1.00 67.52 10 A 1 ATOM 82 N N . ASP A 1 11 ? 10.088 3.744 6.616 1.00 70.81 11 A 1 ATOM 83 C CA . ASP A 1 11 ? 8.851 3.012 6.911 1.00 70.24 11 A 1 ATOM 84 C C . ASP A 1 11 ? 8.756 1.695 6.124 1.00 69.89 11 A 1 ATOM 85 O O . ASP A 1 11 ? 8.136 0.742 6.584 1.00 69.37 11 A 1 ATOM 86 C CB . ASP A 1 11 ? 7.629 3.889 6.607 1.00 68.24 11 A 1 ATOM 87 C CG . ASP A 1 11 ? 7.581 5.164 7.448 1.00 63.04 11 A 1 ATOM 88 O OD1 . ASP A 1 11 ? 7.822 5.068 8.673 1.00 59.28 11 A 1 ATOM 89 O OD2 . ASP A 1 11 ? 7.306 6.227 6.844 1.00 58.50 11 A 1 ATOM 90 N N . LEU A 1 12 ? 9.416 1.615 4.958 1.00 73.16 12 A 1 ATOM 91 C CA . LEU A 1 12 ? 9.486 0.395 4.142 1.00 72.34 12 A 1 ATOM 92 C C . LEU A 1 12 ? 10.462 -0.645 4.714 1.00 72.71 12 A 1 ATOM 93 O O . LEU A 1 12 ? 10.282 -1.845 4.492 1.00 71.66 12 A 1 ATOM 94 C CB . LEU A 1 12 ? 9.886 0.772 2.708 1.00 70.81 12 A 1 ATOM 95 C CG . LEU A 1 12 ? 8.846 1.624 1.960 1.00 64.98 12 A 1 ATOM 96 C CD1 . LEU A 1 12 ? 9.435 2.119 0.638 1.00 61.49 12 A 1 ATOM 97 C CD2 . LEU A 1 12 ? 7.585 0.823 1.639 1.00 61.37 12 A 1 ATOM 98 N N . ILE A 1 13 ? 11.485 -0.195 5.445 1.00 76.11 13 A 1 ATOM 99 C CA . ILE A 1 13 ? 12.486 -1.079 6.067 1.00 75.59 13 A 1 ATOM 100 C C . ILE A 1 13 ? 11.903 -1.764 7.307 1.00 75.00 13 A 1 ATOM 101 O O . ILE A 1 13 ? 12.198 -2.934 7.569 1.00 72.68 13 A 1 ATOM 102 C CB . ILE A 1 13 ? 13.772 -0.282 6.390 1.00 76.24 13 A 1 ATOM 103 C CG1 . ILE A 1 13 ? 14.419 0.245 5.089 1.00 73.74 13 A 1 ATOM 104 C CG2 . ILE A 1 13 ? 14.791 -1.148 7.163 1.00 71.79 13 A 1 ATOM 105 C CD1 . ILE A 1 13 ? 15.506 1.303 5.319 1.00 68.09 13 A 1 ATOM 106 N N . ASN A 1 14 ? 11.048 -1.070 8.060 1.00 75.32 14 A 1 ATOM 107 C CA . ASN A 1 14 ? 10.401 -1.643 9.233 1.00 74.91 14 A 1 ATOM 108 C C . ASN A 1 14 ? 9.179 -2.488 8.820 1.00 74.32 14 A 1 ATOM 109 O O . ASN A 1 14 ? 8.189 -1.930 8.348 1.00 72.27 14 A 1 ATOM 110 C CB . ASN A 1 14 ? 10.054 -0.517 10.221 1.00 73.87 14 A 1 ATOM 111 C CG . ASN A 1 14 ? 9.553 -1.057 11.548 1.00 71.61 14 A 1 ATOM 112 O OD1 . ASN A 1 14 ? 9.242 -2.228 11.713 1.00 67.88 14 A 1 ATOM 113 N ND2 . ASN A 1 14 ? 9.471 -0.220 12.551 1.00 67.57 14 A 1 ATOM 114 N N . PRO A 1 15 ? 9.190 -3.819 9.042 1.00 75.48 15 A 1 ATOM 115 C CA . PRO A 1 15 ? 8.075 -4.680 8.650 1.00 73.99 15 A 1 ATOM 116 C C . PRO A 1 15 ? 6.751 -4.318 9.336 1.00 74.59 15 A 1 ATOM 117 O O . PRO A 1 15 ? 5.694 -4.613 8.782 1.00 71.63 15 A 1 ATOM 118 C CB . PRO A 1 15 ? 8.524 -6.108 8.998 1.00 71.82 15 A 1 ATOM 119 C CG . PRO A 1 15 ? 9.566 -5.917 10.098 1.00 70.49 15 A 1 ATOM 120 C CD . PRO A 1 15 ? 10.224 -4.592 9.710 1.00 74.11 15 A 1 ATOM 121 N N . ALA A 1 16 ? 6.796 -3.655 10.500 1.00 77.43 16 A 1 ATOM 122 C CA . ALA A 1 16 ? 5.603 -3.183 11.201 1.00 77.16 16 A 1 ATOM 123 C C . ALA A 1 16 ? 4.933 -1.974 10.518 1.00 76.73 16 A 1 ATOM 124 O O . ALA A 1 16 ? 3.732 -1.769 10.691 1.00 74.12 16 A 1 ATOM 125 C CB . ALA A 1 16 ? 5.994 -2.857 12.650 1.00 77.54 16 A 1 ATOM 126 N N . ASN A 1 17 ? 5.695 -1.206 9.727 1.00 72.38 17 A 1 ATOM 127 C CA . ASN A 1 17 ? 5.229 0.010 9.058 1.00 71.36 17 A 1 ATOM 128 C C . ASN A 1 17 ? 4.988 -0.199 7.554 1.00 71.06 17 A 1 ATOM 129 O O . ASN A 1 17 ? 4.787 0.768 6.822 1.00 68.61 17 A 1 ATOM 130 C CB . ASN A 1 17 ? 6.231 1.142 9.328 1.00 70.68 17 A 1 ATOM 131 C CG . ASN A 1 17 ? 6.264 1.617 10.765 1.00 65.66 17 A 1 ATOM 132 O OD1 . ASN A 1 17 ? 5.476 1.245 11.619 1.00 61.87 17 A 1 ATOM 133 N ND2 . ASN A 1 17 ? 7.197 2.487 11.079 1.00 60.99 17 A 1 ATOM 134 N N . ARG A 1 18 ? 5.025 -1.456 7.058 1.00 70.77 18 A 1 ATOM 135 C CA . ARG A 1 18 ? 4.799 -1.744 5.638 1.00 69.35 18 A 1 ATOM 136 C C . ARG A 1 18 ? 3.407 -1.277 5.216 1.00 68.68 18 A 1 ATOM 137 O O . ARG A 1 18 ? 2.415 -1.632 5.866 1.00 65.56 18 A 1 ATOM 138 C CB . ARG A 1 18 ? 4.993 -3.232 5.324 1.00 67.77 18 A 1 ATOM 139 C CG . ARG A 1 18 ? 6.484 -3.591 5.352 1.00 63.68 18 A 1 ATOM 140 C CD . ARG A 1 18 ? 6.688 -5.060 5.002 1.00 63.27 18 A 1 ATOM 141 N NE . ARG A 1 18 ? 8.115 -5.417 5.101 1.00 59.45 18 A 1 ATOM 142 C CZ . ARG A 1 18 ? 8.652 -6.586 4.804 1.00 55.68 18 A 1 ATOM 143 N NH1 . ARG A 1 18 ? 7.931 -7.584 4.367 1.00 53.96 18 A 1 ATOM 144 N NH2 . ARG A 1 18 ? 9.936 -6.762 4.944 1.00 49.49 18 A 1 ATOM 145 N N . PRO A 1 19 ? 3.302 -0.517 4.125 1.00 68.73 19 A 1 ATOM 146 C CA . PRO A 1 19 ? 2.014 -0.087 3.619 1.00 67.38 19 A 1 ATOM 147 C C . PRO A 1 19 ? 1.189 -1.302 3.185 1.00 67.89 19 A 1 ATOM 148 O O . PRO A 1 19 ? 1.528 -2.023 2.244 1.00 65.85 19 A 1 ATOM 149 C CB . PRO A 1 19 ? 2.324 0.873 2.467 1.00 64.49 19 A 1 ATOM 150 C CG . PRO A 1 19 ? 3.715 0.460 1.998 1.00 61.87 19 A 1 ATOM 151 C CD . PRO A 1 19 ? 4.378 -0.037 3.279 1.00 64.52 19 A 1 ATOM 152 N N . ILE A 1 20 ? 0.071 -1.513 3.874 1.00 65.53 20 A 1 ATOM 153 C CA . ILE A 1 20 ? -0.915 -2.521 3.490 1.00 65.25 20 A 1 ATOM 154 C C . ILE A 1 20 ? -1.848 -1.881 2.459 1.00 64.52 20 A 1 ATOM 155 O O . ILE A 1 20 ? -2.780 -1.147 2.801 1.00 62.04 20 A 1 ATOM 156 C CB . ILE A 1 20 ? -1.665 -3.069 4.722 1.00 63.80 20 A 1 ATOM 157 C CG1 . ILE A 1 20 ? -0.682 -3.686 5.745 1.00 59.17 20 A 1 ATOM 158 C CG2 . ILE A 1 20 ? -2.699 -4.113 4.268 1.00 59.73 20 A 1 ATOM 159 C CD1 . ILE A 1 20 ? -1.350 -4.152 7.043 1.00 56.60 20 A 1 ATOM 160 N N . ILE A 1 21 ? -1.607 -2.169 1.179 1.00 63.51 21 A 1 ATOM 161 C CA . ILE A 1 21 ? -2.520 -1.738 0.120 1.00 63.89 21 A 1 ATOM 162 C C . ILE A 1 21 ? -3.676 -2.739 0.070 1.00 63.11 21 A 1 ATOM 163 O O . ILE A 1 21 ? -3.560 -3.833 -0.481 1.00 60.24 21 A 1 ATOM 164 C CB . ILE A 1 21 ? -1.794 -1.557 -1.231 1.00 62.66 21 A 1 ATOM 165 C CG1 . ILE A 1 21 ? -0.613 -0.563 -1.086 1.00 59.71 21 A 1 ATOM 166 C CG2 . ILE A 1 21 ? -2.801 -1.058 -2.286 1.00 59.11 21 A 1 ATOM 167 C CD1 . ILE A 1 21 ? 0.209 -0.381 -2.363 1.00 56.50 21 A 1 ATOM 168 N N . LYS A 1 22 ? -4.820 -2.364 0.673 1.00 66.32 22 A 1 ATOM 169 C CA . LYS A 1 22 ? -6.073 -3.112 0.534 1.00 65.37 22 A 1 ATOM 170 C C . LYS A 1 22 ? -6.726 -2.735 -0.794 1.00 64.43 22 A 1 ATOM 171 O O . LYS A 1 22 ? -7.307 -1.662 -0.932 1.00 60.23 22 A 1 ATOM 172 C CB . LYS A 1 22 ? -7.002 -2.867 1.733 1.00 64.29 22 A 1 ATOM 173 C CG . LYS A 1 22 ? -6.462 -3.520 3.016 1.00 61.20 22 A 1 ATOM 174 C CD . LYS A 1 22 ? -7.453 -3.368 4.181 1.00 60.62 22 A 1 ATOM 175 C CE . LYS A 1 22 ? -6.889 -4.034 5.439 1.00 55.97 22 A 1 ATOM 176 N NZ . LYS A 1 22 ? -7.813 -3.923 6.600 1.00 51.56 22 A 1 ATOM 177 N N . GLY A 1 23 ? -6.618 -3.620 -1.775 1.00 63.28 23 A 1 ATOM 178 C CA . GLY A 1 23 ? -7.397 -3.504 -3.002 1.00 62.67 23 A 1 ATOM 179 C C . GLY A 1 23 ? -8.890 -3.707 -2.733 1.00 63.29 23 A 1 ATOM 180 O O . GLY A 1 23 ? -9.282 -4.428 -1.814 1.00 59.87 23 A 1 ATOM 181 N N . TRP A 1 24 ? -9.737 -3.116 -3.567 1.00 58.17 24 A 1 ATOM 182 C CA . TRP A 1 24 ? -11.206 -3.158 -3.457 1.00 58.02 24 A 1 ATOM 183 C C . TRP A 1 24 ? -11.823 -4.574 -3.493 1.00 58.57 24 A 1 ATOM 184 O O . TRP A 1 24 ? -13.006 -4.731 -3.225 1.00 55.77 24 A 1 ATOM 185 C CB . TRP A 1 24 ? -11.805 -2.270 -4.558 1.00 56.29 24 A 1 ATOM 186 C CG . TRP A 1 24 ? -12.562 -1.050 -4.129 1.00 53.57 24 A 1 ATOM 187 C CD1 . TRP A 1 24 ? -12.603 -0.496 -2.898 1.00 49.06 24 A 1 ATOM 188 C CD2 . TRP A 1 24 ? -13.412 -0.196 -4.969 1.00 50.08 24 A 1 ATOM 189 N NE1 . TRP A 1 24 ? -13.409 0.625 -2.911 1.00 47.71 24 A 1 ATOM 190 C CE2 . TRP A 1 24 ? -13.931 0.855 -4.164 1.00 48.00 24 A 1 ATOM 191 C CE3 . TRP A 1 24 ? -13.795 -0.216 -6.330 1.00 45.97 24 A 1 ATOM 192 C CZ2 . TRP A 1 24 ? -14.791 1.843 -4.682 1.00 45.07 24 A 1 ATOM 193 C CZ3 . TRP A 1 24 ? -14.653 0.773 -6.852 1.00 44.01 24 A 1 ATOM 194 C CH2 . TRP A 1 24 ? -15.151 1.797 -6.034 1.00 43.48 24 A 1 ATOM 195 N N . LYS A 1 25 ? -11.018 -5.605 -3.797 1.00 59.60 25 A 1 ATOM 196 C CA . LYS A 1 25 ? -11.402 -7.030 -3.814 1.00 60.28 25 A 1 ATOM 197 C C . LYS A 1 25 ? -10.664 -7.876 -2.763 1.00 59.99 25 A 1 ATOM 198 O O . LYS A 1 25 ? -10.494 -9.073 -2.958 1.00 56.50 25 A 1 ATOM 199 C CB . LYS A 1 25 ? -11.258 -7.603 -5.233 1.00 59.27 25 A 1 ATOM 200 C CG . LYS A 1 25 ? -12.301 -7.040 -6.215 1.00 56.81 25 A 1 ATOM 201 C CD . LYS A 1 25 ? -12.260 -7.832 -7.528 1.00 56.35 25 A 1 ATOM 202 C CE . LYS A 1 25 ? -13.366 -7.369 -8.477 1.00 52.35 25 A 1 ATOM 203 N NZ . LYS A 1 25 ? -13.396 -8.176 -9.729 1.00 47.70 25 A 1 ATOM 204 N N . GLY A 1 26 ? -10.212 -7.281 -1.661 1.00 57.58 26 A 1 ATOM 205 C CA . GLY A 1 26 ? -9.585 -8.027 -0.559 1.00 57.91 26 A 1 ATOM 206 C C . GLY A 1 26 ? -8.168 -8.538 -0.833 1.00 58.82 26 A 1 ATOM 207 O O . GLY A 1 26 ? -7.639 -9.311 -0.038 1.00 56.48 26 A 1 ATOM 208 N N . MET A 1 27 ? -7.541 -8.106 -1.928 1.00 57.82 27 A 1 ATOM 209 C CA . MET A 1 27 ? -6.148 -8.444 -2.216 1.00 57.82 27 A 1 ATOM 210 C C . MET A 1 27 ? -5.236 -7.556 -1.366 1.00 58.14 27 A 1 ATOM 211 O O . MET A 1 27 ? -5.271 -6.330 -1.491 1.00 55.37 27 A 1 ATOM 212 C CB . MET A 1 27 ? -5.899 -8.316 -3.726 1.00 56.21 27 A 1 ATOM 213 C CG . MET A 1 27 ? -4.631 -9.050 -4.164 1.00 52.29 27 A 1 ATOM 214 S SD . MET A 1 27 ? -4.379 -9.010 -5.965 1.00 48.60 27 A 1 ATOM 215 C CE . MET A 1 27 ? -5.632 -10.190 -6.532 1.00 44.92 27 A 1 ATOM 216 N N . VAL A 1 28 ? -4.478 -8.175 -0.460 1.00 59.57 28 A 1 ATOM 217 C CA . VAL A 1 28 ? -3.489 -7.504 0.389 1.00 60.90 28 A 1 ATOM 218 C C . VAL A 1 28 ? -2.134 -7.667 -0.283 1.00 59.49 28 A 1 ATOM 219 O O . VAL A 1 28 ? -1.612 -8.778 -0.359 1.00 57.22 28 A 1 ATOM 220 C CB . VAL A 1 28 ? -3.496 -8.073 1.822 1.00 60.49 28 A 1 ATOM 221 C CG1 . VAL A 1 28 ? -2.487 -7.337 2.709 1.00 54.77 28 A 1 ATOM 222 C CG2 . VAL A 1 28 ? -4.876 -7.926 2.476 1.00 55.66 28 A 1 ATOM 223 N N . LEU A 1 29 ? -1.583 -6.561 -0.811 1.00 61.83 29 A 1 ATOM 224 C CA . LEU A 1 29 ? -0.228 -6.563 -1.351 1.00 61.92 29 A 1 ATOM 225 C C . LEU A 1 29 ? 0.730 -6.124 -0.239 1.00 61.24 29 A 1 ATOM 226 O O . LEU A 1 29 ? 0.622 -5.003 0.267 1.00 57.90 29 A 1 ATOM 227 C CB . LEU A 1 29 ? -0.168 -5.659 -2.599 1.00 60.90 29 A 1 ATOM 228 C CG . LEU A 1 29 ? 1.115 -5.854 -3.426 1.00 56.37 29 A 1 ATOM 229 C CD1 . LEU A 1 29 ? 1.076 -7.169 -4.222 1.00 53.68 29 A 1 ATOM 230 C CD2 . LEU A 1 29 ? 1.263 -4.717 -4.438 1.00 53.24 29 A 1 ATOM 231 N N . PHE A 1 30 ? 1.628 -7.028 0.151 1.00 57.97 30 A 1 ATOM 232 C CA . PHE A 1 30 ? 2.749 -6.720 1.035 1.00 57.34 30 A 1 ATOM 233 C C . PHE A 1 30 ? 3.924 -6.296 0.153 1.00 55.38 30 A 1 ATOM 234 O O . PHE A 1 30 ? 4.416 -7.106 -0.635 1.00 53.54 30 A 1 ATOM 235 C CB . PHE A 1 30 ? 3.086 -7.944 1.903 1.00 56.16 30 A 1 ATOM 236 C CG . PHE A 1 30 ? 1.969 -8.377 2.841 1.00 54.03 30 A 1 ATOM 237 C CD1 . PHE A 1 30 ? 1.838 -7.777 4.109 1.00 51.14 30 A 1 ATOM 238 C CD2 . PHE A 1 30 ? 1.060 -9.378 2.448 1.00 51.07 30 A 1 ATOM 239 C CE1 . PHE A 1 30 ? 0.809 -8.179 4.981 1.00 47.70 30 A 1 ATOM 240 C CE2 . PHE A 1 30 ? 0.025 -9.776 3.321 1.00 48.01 30 A 1 ATOM 241 C CZ . PHE A 1 30 ? -0.098 -9.178 4.588 1.00 46.61 30 A 1 ATOM 242 N N . ILE A 1 31 ? 4.324 -5.028 0.249 1.00 59.76 31 A 1 ATOM 243 C CA . ILE A 1 31 ? 5.533 -4.498 -0.407 1.00 58.29 31 A 1 ATOM 244 C C . ILE A 1 31 ? 6.672 -4.522 0.606 1.00 52.82 31 A 1 ATOM 245 O O . ILE A 1 31 ? 6.428 -4.097 1.767 1.00 48.23 31 A 1 ATOM 246 C CB . ILE A 1 31 ? 5.281 -3.106 -1.026 1.00 55.72 31 A 1 ATOM 247 C CG1 . ILE A 1 31 ? 4.005 -3.088 -1.896 1.00 51.23 31 A 1 ATOM 248 C CG2 . ILE A 1 31 ? 6.508 -2.699 -1.862 1.00 51.39 31 A 1 ATOM 249 C CD1 . ILE A 1 31 ? 3.671 -1.701 -2.483 1.00 49.52 31 A 1 ATOM 250 O OXT . ILE A 1 31 ? 7.773 -4.959 0.213 1.00 50.55 31 A 1 #