# 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_MULTIFOLD-future-argument-AF3 # _entry.id MULTIFOLD-future-argument-AF3 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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" "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 ALA 2 1 n LEU 3 1 n TRP 4 1 n MET 5 1 n ARG 6 1 n LEU 7 1 n LEU 8 1 n PRO 9 1 n LEU 10 1 n LEU 11 1 n ALA 12 1 n LEU 13 1 n LEU 14 1 n ALA 15 1 n LEU 16 1 n TRP 17 1 n GLY 18 1 n PRO 19 1 n ASP 20 1 n PRO 21 1 n ALA 22 1 n ALA 23 1 n ALA 24 1 n PHE 25 1 n VAL 26 1 n ASN 27 1 n GLN 28 1 n HIS 29 1 n LEU 30 1 n CYS 31 1 n GLY 32 1 n SER 33 1 n HIS 34 1 n LEU 35 1 n VAL 36 1 n GLU 37 1 n ALA 38 1 n LEU 39 1 n TYR 40 1 n LEU 41 1 n VAL 42 1 n CYS 43 1 n GLY 44 1 n GLU 45 1 n ARG 46 1 n GLY 47 1 n PHE 48 1 n PHE 49 1 n TYR 50 1 n THR 51 1 n PRO 52 1 n LYS 53 1 n THR 54 # _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 (3.0.4 @ 2026-10-13 15:33:27)" _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 74.58 _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 71.62 1 1 A ALA 2 2 84.22 1 2 A LEU 3 2 82.56 1 3 A TRP 4 2 74.23 1 4 A MET 5 2 81.64 1 5 A ARG 6 2 79.28 1 6 A LEU 7 2 86.87 1 7 A LEU 8 2 85.78 1 8 A PRO 9 2 89.64 1 9 A LEU 10 2 83.69 1 10 A LEU 11 2 84.06 1 11 A ALA 12 2 87.05 1 12 A LEU 13 2 82.88 1 13 A LEU 14 2 79.57 1 14 A ALA 15 2 81.07 1 15 A LEU 16 2 79.44 1 16 A TRP 17 2 65.69 1 17 A GLY 18 2 65.00 1 18 A PRO 19 2 62.22 1 19 A ASP 20 2 56.76 1 20 A PRO 21 2 54.58 1 21 A ALA 22 2 53.74 1 22 A ALA 23 2 55.72 1 23 A ALA 24 2 53.65 1 24 A PHE 25 2 48.19 1 25 A VAL 26 2 50.89 1 26 A ASN 27 2 51.97 1 27 A GLN 28 2 61.42 1 28 A HIS 29 2 68.24 1 29 A LEU 30 2 72.87 1 30 A CYS 31 2 79.59 1 31 A GLY 32 2 82.38 1 32 A SER 33 2 84.02 1 33 A HIS 34 2 79.35 1 34 A LEU 35 2 84.55 1 35 A VAL 36 2 84.66 1 36 A GLU 37 2 78.77 1 37 A ALA 38 2 88.73 1 38 A LEU 39 2 84.30 1 39 A TYR 40 2 78.68 1 40 A LEU 41 2 84.79 1 41 A VAL 42 2 87.81 1 42 A CYS 43 2 88.20 1 43 A GLY 44 2 86.56 1 44 A GLU 45 2 74.47 1 45 A ARG 46 2 72.96 1 46 A GLY 47 2 80.22 1 47 A PHE 48 2 73.67 1 48 A PHE 49 2 70.83 1 49 A TYR 50 2 74.51 1 50 A THR 51 2 76.44 1 51 A PRO 52 2 79.23 1 52 A LYS 53 2 71.48 1 53 A THR 54 2 70.90 1 54 # _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 ALA . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n TRP . 4 A 4 A 5 1 n MET . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 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 ALA . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n TRP . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n PRO . 19 A 19 A 20 1 n ASP . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n PHE . 25 A 25 A 26 1 n VAL . 26 A 26 A 27 1 n ASN . 27 A 27 A 28 1 n GLN . 28 A 28 A 29 1 n HIS . 29 A 29 A 30 1 n LEU . 30 A 30 A 31 1 n CYS . 31 A 31 A 32 1 n GLY . 32 A 32 A 33 1 n SER . 33 A 33 A 34 1 n HIS . 34 A 34 A 35 1 n LEU . 35 A 35 A 36 1 n VAL . 36 A 36 A 37 1 n GLU . 37 A 37 A 38 1 n ALA . 38 A 38 A 39 1 n LEU . 39 A 39 A 40 1 n TYR . 40 A 40 A 41 1 n LEU . 41 A 41 A 42 1 n VAL . 42 A 42 A 43 1 n CYS . 43 A 43 A 44 1 n GLY . 44 A 44 A 45 1 n GLU . 45 A 45 A 46 1 n ARG . 46 A 46 A 47 1 n GLY . 47 A 47 A 48 1 n PHE . 48 A 48 A 49 1 n PHE . 49 A 49 A 50 1 n TYR . 50 A 50 A 51 1 n THR . 51 A 51 A 52 1 n PRO . 52 A 52 A 53 1 n LYS . 53 A 53 A 54 1 n THR . 54 A 54 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (25b635fa27adb4b12654a9dc6367a96b1463ec03aa886066ffc6cf0691bbe007)" # _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 ? -30.709 1.698 20.807 1.00 77.90 1 A 1 ATOM 2 C CA . MET A 1 1 ? -31.184 1.058 19.565 1.00 79.33 1 A 1 ATOM 3 C C . MET A 1 1 ? -30.825 1.847 18.304 1.00 77.43 1 A 1 ATOM 4 O O . MET A 1 1 ? -30.375 1.239 17.347 1.00 75.51 1 A 1 ATOM 5 C CB . MET A 1 1 ? -32.683 0.744 19.650 1.00 73.94 1 A 1 ATOM 6 C CG . MET A 1 1 ? -33.004 -0.216 20.815 1.00 68.69 1 A 1 ATOM 7 S SD . MET A 1 1 ? -32.013 -1.734 20.819 1.00 63.87 1 A 1 ATOM 8 C CE . MET A 1 1 ? -32.575 -2.510 22.347 1.00 56.25 1 A 1 ATOM 9 N N . ALA A 1 2 ? -30.926 3.175 18.306 1.00 87.04 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -30.633 3.988 17.107 1.00 85.60 2 A 1 ATOM 11 C C . ALA A 1 2 ? -29.145 4.040 16.690 1.00 84.96 2 A 1 ATOM 12 O O . ALA A 1 2 ? -28.839 4.200 15.509 1.00 81.44 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -31.179 5.394 17.358 1.00 82.06 2 A 1 ATOM 14 N N . LEU A 1 3 ? -28.215 3.879 17.642 1.00 89.68 3 A 1 ATOM 15 C CA . LEU A 1 3 ? -26.769 3.906 17.368 1.00 88.22 3 A 1 ATOM 16 C C . LEU A 1 3 ? -26.321 2.703 16.524 1.00 89.27 3 A 1 ATOM 17 O O . LEU A 1 3 ? -25.553 2.856 15.579 1.00 87.67 3 A 1 ATOM 18 C CB . LEU A 1 3 ? -25.998 3.964 18.703 1.00 87.13 3 A 1 ATOM 19 C CG . LEU A 1 3 ? -24.819 4.959 18.658 1.00 75.79 3 A 1 ATOM 20 C CD1 . LEU A 1 3 ? -25.209 6.265 19.357 1.00 70.42 3 A 1 ATOM 21 C CD2 . LEU A 1 3 ? -23.594 4.387 19.359 1.00 72.27 3 A 1 ATOM 22 N N . TRP A 1 4 ? -26.856 1.522 16.822 1.00 88.78 4 A 1 ATOM 23 C CA . TRP A 1 4 ? -26.548 0.278 16.107 1.00 86.95 4 A 1 ATOM 24 C C . TRP A 1 4 ? -27.048 0.293 14.662 1.00 88.32 4 A 1 ATOM 25 O O . TRP A 1 4 ? -26.336 -0.148 13.763 1.00 86.63 4 A 1 ATOM 26 C CB . TRP A 1 4 ? -27.135 -0.897 16.892 1.00 84.72 4 A 1 ATOM 27 C CG . TRP A 1 4 ? -26.457 -1.151 18.204 1.00 77.32 4 A 1 ATOM 28 C CD1 . TRP A 1 4 ? -26.772 -0.590 19.394 1.00 69.48 4 A 1 ATOM 29 C CD2 . TRP A 1 4 ? -25.318 -2.032 18.465 1.00 71.45 4 A 1 ATOM 30 N NE1 . TRP A 1 4 ? -25.904 -1.056 20.362 1.00 63.35 4 A 1 ATOM 31 C CE2 . TRP A 1 4 ? -24.993 -1.951 19.848 1.00 65.86 4 A 1 ATOM 32 C CE3 . TRP A 1 4 ? -24.547 -2.898 17.666 1.00 62.39 4 A 1 ATOM 33 C CZ2 . TRP A 1 4 ? -23.941 -2.692 20.417 1.00 66.64 4 A 1 ATOM 34 C CZ3 . TRP A 1 4 ? -23.491 -3.649 18.233 1.00 63.29 4 A 1 ATOM 35 C CH2 . TRP A 1 4 ? -23.187 -3.545 19.598 1.00 64.10 4 A 1 ATOM 36 N N . MET A 1 5 ? -28.212 0.890 14.419 1.00 89.68 5 A 1 ATOM 37 C CA . MET A 1 5 ? -28.739 1.055 13.057 1.00 88.10 5 A 1 ATOM 38 C C . MET A 1 5 ? -27.890 1.996 12.190 1.00 88.53 5 A 1 ATOM 39 O O . MET A 1 5 ? -27.888 1.847 10.974 1.00 88.26 5 A 1 ATOM 40 C CB . MET A 1 5 ? -30.189 1.548 13.099 1.00 87.54 5 A 1 ATOM 41 C CG . MET A 1 5 ? -31.172 0.394 12.903 1.00 76.80 5 A 1 ATOM 42 S SD . MET A 1 5 ? -32.883 0.926 12.612 1.00 71.35 5 A 1 ATOM 43 C CE . MET A 1 5 ? -33.374 1.496 14.251 1.00 62.89 5 A 1 ATOM 44 N N . ARG A 1 6 ? -27.169 2.937 12.798 1.00 90.46 6 A 1 ATOM 45 C CA . ARG A 1 6 ? -26.245 3.824 12.072 1.00 88.79 6 A 1 ATOM 46 C C . ARG A 1 6 ? -24.856 3.211 11.883 1.00 90.61 6 A 1 ATOM 47 O O . ARG A 1 6 ? -24.189 3.538 10.911 1.00 90.64 6 A 1 ATOM 48 C CB . ARG A 1 6 ? -26.150 5.181 12.780 1.00 88.75 6 A 1 ATOM 49 C CG . ARG A 1 6 ? -27.448 5.990 12.648 1.00 81.99 6 A 1 ATOM 50 C CD . ARG A 1 6 ? -27.240 7.409 13.191 1.00 78.25 6 A 1 ATOM 51 N NE . ARG A 1 6 ? -28.431 8.253 12.984 1.00 73.22 6 A 1 ATOM 52 C CZ . ARG A 1 6 ? -28.502 9.562 13.175 1.00 66.07 6 A 1 ATOM 53 N NH1 . ARG A 1 6 ? -27.483 10.259 13.598 1.00 60.93 6 A 1 ATOM 54 N NH2 . ARG A 1 6 ? -29.614 10.199 12.939 1.00 62.37 6 A 1 ATOM 55 N N . LEU A 1 7 ? -24.434 2.314 12.784 1.00 91.05 7 A 1 ATOM 56 C CA . LEU A 1 7 ? -23.144 1.625 12.697 1.00 90.46 7 A 1 ATOM 57 C C . LEU A 1 7 ? -23.171 0.442 11.717 1.00 91.88 7 A 1 ATOM 58 O O . LEU A 1 7 ? -22.166 0.183 11.060 1.00 92.04 7 A 1 ATOM 59 C CB . LEU A 1 7 ? -22.726 1.178 14.109 1.00 90.49 7 A 1 ATOM 60 C CG . LEU A 1 7 ? -22.245 2.337 15.000 1.00 83.44 7 A 1 ATOM 61 C CD1 . LEU A 1 7 ? -22.213 1.899 16.464 1.00 76.52 7 A 1 ATOM 62 C CD2 . LEU A 1 7 ? -20.835 2.800 14.619 1.00 79.07 7 A 1 ATOM 63 N N . LEU A 1 8 ? -24.319 -0.225 11.569 1.00 91.83 8 A 1 ATOM 64 C CA . LEU A 1 8 ? -24.511 -1.327 10.618 1.00 90.18 8 A 1 ATOM 65 C C . LEU A 1 8 ? -24.137 -0.970 9.167 1.00 90.98 8 A 1 ATOM 66 O O . LEU A 1 8 ? -23.365 -1.720 8.572 1.00 91.79 8 A 1 ATOM 67 C CB . LEU A 1 8 ? -25.958 -1.839 10.721 1.00 90.28 8 A 1 ATOM 68 C CG . LEU A 1 8 ? -26.143 -2.918 11.799 1.00 80.90 8 A 1 ATOM 69 C CD1 . LEU A 1 8 ? -27.621 -3.062 12.158 1.00 74.78 8 A 1 ATOM 70 C CD2 . LEU A 1 8 ? -25.638 -4.274 11.314 1.00 75.54 8 A 1 ATOM 71 N N . PRO A 1 9 ? -24.608 0.137 8.581 1.00 90.13 9 A 1 ATOM 72 C CA . PRO A 1 9 ? -24.227 0.481 7.214 1.00 89.51 9 A 1 ATOM 73 C C . PRO A 1 9 ? -22.750 0.866 7.101 1.00 89.52 9 A 1 ATOM 74 O O . PRO A 1 9 ? -22.136 0.597 6.076 1.00 89.64 9 A 1 ATOM 75 C CB . PRO A 1 9 ? -25.154 1.632 6.800 1.00 88.62 9 A 1 ATOM 76 C CG . PRO A 1 9 ? -25.539 2.281 8.125 1.00 88.92 9 A 1 ATOM 77 C CD . PRO A 1 9 ? -25.585 1.096 9.077 1.00 91.13 9 A 1 ATOM 78 N N . LEU A 1 10 ? -22.156 1.429 8.159 1.00 89.16 10 A 1 ATOM 79 C CA . LEU A 1 10 ? -20.732 1.755 8.189 1.00 87.40 10 A 1 ATOM 80 C C . LEU A 1 10 ? -19.868 0.485 8.208 1.00 88.44 10 A 1 ATOM 81 O O . LEU A 1 10 ? -18.885 0.391 7.478 1.00 88.89 10 A 1 ATOM 82 C CB . LEU A 1 10 ? -20.447 2.644 9.415 1.00 87.38 10 A 1 ATOM 83 C CG . LEU A 1 10 ? -19.311 3.647 9.159 1.00 78.87 10 A 1 ATOM 84 C CD1 . LEU A 1 10 ? -19.888 5.019 8.803 1.00 73.95 10 A 1 ATOM 85 C CD2 . LEU A 1 10 ? -18.430 3.805 10.393 1.00 75.41 10 A 1 ATOM 86 N N . LEU A 1 11 ? -20.269 -0.511 9.008 1.00 88.79 11 A 1 ATOM 87 C CA . LEU A 1 11 ? -19.631 -1.830 9.070 1.00 86.66 11 A 1 ATOM 88 C C . LEU A 1 11 ? -19.800 -2.607 7.764 1.00 86.76 11 A 1 ATOM 89 O O . LEU A 1 11 ? -18.855 -3.247 7.311 1.00 87.49 11 A 1 ATOM 90 C CB . LEU A 1 11 ? -20.218 -2.603 10.268 1.00 87.27 11 A 1 ATOM 91 C CG . LEU A 1 11 ? -19.197 -2.787 11.407 1.00 81.23 11 A 1 ATOM 92 C CD1 . LEU A 1 11 ? -19.868 -2.645 12.770 1.00 76.17 11 A 1 ATOM 93 C CD2 . LEU A 1 11 ? -18.554 -4.167 11.328 1.00 78.08 11 A 1 ATOM 94 N N . ALA A 1 12 ? -20.973 -2.505 7.137 1.00 89.41 12 A 1 ATOM 95 C CA . ALA A 1 12 ? -21.216 -3.092 5.823 1.00 87.04 12 A 1 ATOM 96 C C . ALA A 1 12 ? -20.338 -2.437 4.746 1.00 85.96 12 A 1 ATOM 97 O O . ALA A 1 12 ? -19.759 -3.145 3.926 1.00 85.64 12 A 1 ATOM 98 C CB . ALA A 1 12 ? -22.707 -2.973 5.496 1.00 87.20 12 A 1 ATOM 99 N N . LEU A 1 13 ? -20.172 -1.118 4.787 1.00 89.00 13 A 1 ATOM 100 C CA . LEU A 1 13 ? -19.242 -0.412 3.908 1.00 85.69 13 A 1 ATOM 101 C C . LEU A 1 13 ? -17.806 -0.890 4.129 1.00 85.00 13 A 1 ATOM 102 O O . LEU A 1 13 ? -17.134 -1.244 3.173 1.00 84.77 13 A 1 ATOM 103 C CB . LEU A 1 13 ? -19.346 1.112 4.102 1.00 86.24 13 A 1 ATOM 104 C CG . LEU A 1 13 ? -19.565 1.866 2.774 1.00 79.01 13 A 1 ATOM 105 C CD1 . LEU A 1 13 ? -21.054 2.198 2.591 1.00 75.96 13 A 1 ATOM 106 C CD2 . LEU A 1 13 ? -18.786 3.173 2.754 1.00 77.40 13 A 1 ATOM 107 N N . LEU A 1 14 ? -17.350 -0.975 5.386 1.00 85.58 14 A 1 ATOM 108 C CA . LEU A 1 14 ? -16.013 -1.469 5.733 1.00 81.73 14 A 1 ATOM 109 C C . LEU A 1 14 ? -15.788 -2.920 5.293 1.00 80.66 14 A 1 ATOM 110 O O . LEU A 1 14 ? -14.698 -3.253 4.838 1.00 79.45 14 A 1 ATOM 111 C CB . LEU A 1 14 ? -15.804 -1.310 7.252 1.00 81.95 14 A 1 ATOM 112 C CG . LEU A 1 14 ? -15.150 0.038 7.611 1.00 78.10 14 A 1 ATOM 113 C CD1 . LEU A 1 14 ? -15.670 0.567 8.948 1.00 73.89 14 A 1 ATOM 114 C CD2 . LEU A 1 14 ? -13.633 -0.126 7.722 1.00 75.18 14 A 1 ATOM 115 N N . ALA A 1 15 ? -16.811 -3.766 5.380 1.00 85.14 15 A 1 ATOM 116 C CA . ALA A 1 15 ? -16.742 -5.148 4.911 1.00 81.51 15 A 1 ATOM 117 C C . ALA A 1 15 ? -16.709 -5.247 3.375 1.00 79.07 15 A 1 ATOM 118 O O . ALA A 1 15 ? -15.989 -6.080 2.831 1.00 77.50 15 A 1 ATOM 119 C CB . ALA A 1 15 ? -17.926 -5.919 5.505 1.00 82.14 15 A 1 ATOM 120 N N . LEU A 1 16 ? -17.432 -4.374 2.677 1.00 85.46 16 A 1 ATOM 121 C CA . LEU A 1 16 ? -17.387 -4.255 1.211 1.00 81.34 16 A 1 ATOM 122 C C . LEU A 1 16 ? -16.059 -3.676 0.712 1.00 79.74 16 A 1 ATOM 123 O O . LEU A 1 16 ? -15.620 -4.002 -0.386 1.00 77.64 16 A 1 ATOM 124 C CB . LEU A 1 16 ? -18.568 -3.377 0.757 1.00 82.24 16 A 1 ATOM 125 C CG . LEU A 1 16 ? -19.890 -4.155 0.655 1.00 77.90 16 A 1 ATOM 126 C CD1 . LEU A 1 16 ? -21.087 -3.224 0.871 1.00 75.68 16 A 1 ATOM 127 C CD2 . LEU A 1 16 ? -20.047 -4.803 -0.721 1.00 75.48 16 A 1 ATOM 128 N N . TRP A 1 17 ? -15.403 -2.867 1.532 1.00 78.39 17 A 1 ATOM 129 C CA . TRP A 1 17 ? -14.050 -2.350 1.323 1.00 74.46 17 A 1 ATOM 130 C C . TRP A 1 17 ? -12.977 -3.304 1.873 1.00 72.22 17 A 1 ATOM 131 O O . TRP A 1 17 ? -11.872 -2.877 2.183 1.00 67.88 17 A 1 ATOM 132 C CB . TRP A 1 17 ? -13.938 -0.941 1.917 1.00 73.86 17 A 1 ATOM 133 C CG . TRP A 1 17 ? -14.624 0.150 1.142 1.00 70.36 17 A 1 ATOM 134 C CD1 . TRP A 1 17 ? -15.941 0.253 0.896 1.00 62.77 17 A 1 ATOM 135 C CD2 . TRP A 1 17 ? -14.023 1.323 0.517 1.00 67.81 17 A 1 ATOM 136 N NE1 . TRP A 1 17 ? -16.205 1.392 0.164 1.00 58.75 17 A 1 ATOM 137 C CE2 . TRP A 1 17 ? -15.060 2.094 -0.090 1.00 60.49 17 A 1 ATOM 138 C CE3 . TRP A 1 17 ? -12.713 1.816 0.412 1.00 59.10 17 A 1 ATOM 139 C CZ2 . TRP A 1 17 ? -14.809 3.295 -0.768 1.00 60.18 17 A 1 ATOM 140 C CZ3 . TRP A 1 17 ? -12.446 3.017 -0.262 1.00 56.24 17 A 1 ATOM 141 C CH2 . TRP A 1 17 ? -13.491 3.762 -0.857 1.00 57.13 17 A 1 ATOM 142 N N . GLY A 1 18 ? -13.311 -4.575 2.021 1.00 67.83 18 A 1 ATOM 143 C CA . GLY A 1 18 ? -12.387 -5.602 2.494 1.00 65.94 18 A 1 ATOM 144 C C . GLY A 1 18 ? -11.053 -5.549 1.736 1.00 64.50 18 A 1 ATOM 145 O O . GLY A 1 18 ? -11.037 -5.262 0.534 1.00 61.75 18 A 1 ATOM 146 N N . PRO A 1 19 ? -9.932 -5.794 2.427 1.00 63.32 19 A 1 ATOM 147 C CA . PRO A 1 19 ? -8.603 -5.607 1.871 1.00 63.03 19 A 1 ATOM 148 C C . PRO A 1 19 ? -8.269 -6.745 0.904 1.00 62.94 19 A 1 ATOM 149 O O . PRO A 1 19 ? -7.572 -7.687 1.266 1.00 59.30 19 A 1 ATOM 150 C CB . PRO A 1 19 ? -7.685 -5.556 3.096 1.00 61.30 19 A 1 ATOM 151 C CG . PRO A 1 19 ? -8.377 -6.482 4.089 1.00 60.99 19 A 1 ATOM 152 C CD . PRO A 1 19 ? -9.857 -6.246 3.799 1.00 64.63 19 A 1 ATOM 153 N N . ASP A 1 20 ? -8.736 -6.650 -0.324 1.00 58.13 20 A 1 ATOM 154 C CA . ASP A 1 20 ? -8.320 -7.546 -1.411 1.00 60.93 20 A 1 ATOM 155 C C . ASP A 1 20 ? -7.547 -6.865 -2.564 1.00 60.92 20 A 1 ATOM 156 O O . ASP A 1 20 ? -7.317 -7.499 -3.595 1.00 58.84 20 A 1 ATOM 157 C CB . ASP A 1 20 ? -9.492 -8.428 -1.876 1.00 58.78 20 A 1 ATOM 158 C CG . ASP A 1 20 ? -9.183 -9.918 -1.676 1.00 53.77 20 A 1 ATOM 159 O OD1 . ASP A 1 20 ? -8.044 -10.339 -1.987 1.00 51.13 20 A 1 ATOM 160 O OD2 . ASP A 1 20 ? -10.099 -10.630 -1.197 1.00 51.55 20 A 1 ATOM 161 N N . PRO A 1 21 ? -7.061 -5.615 -2.433 1.00 54.42 21 A 1 ATOM 162 C CA . PRO A 1 21 ? -6.035 -5.162 -3.368 1.00 55.35 21 A 1 ATOM 163 C C . PRO A 1 21 ? -4.626 -5.616 -2.962 1.00 55.85 21 A 1 ATOM 164 O O . PRO A 1 21 ? -3.735 -5.643 -3.808 1.00 54.37 21 A 1 ATOM 165 C CB . PRO A 1 21 ? -6.177 -3.641 -3.418 1.00 54.28 21 A 1 ATOM 166 C CG . PRO A 1 21 ? -6.675 -3.296 -2.022 1.00 52.32 21 A 1 ATOM 167 C CD . PRO A 1 21 ? -7.476 -4.531 -1.589 1.00 55.50 21 A 1 ATOM 168 N N . ALA A 1 22 ? -4.397 -6.013 -1.697 1.00 53.61 22 A 1 ATOM 169 C CA . ALA A 1 22 ? -3.061 -6.396 -1.238 1.00 54.47 22 A 1 ATOM 170 C C . ALA A 1 22 ? -2.563 -7.693 -1.894 1.00 55.07 22 A 1 ATOM 171 O O . ALA A 1 22 ? -1.399 -7.779 -2.280 1.00 53.05 22 A 1 ATOM 172 C CB . ALA A 1 22 ? -3.075 -6.496 0.292 1.00 52.49 22 A 1 ATOM 173 N N . ALA A 1 23 ? -3.441 -8.676 -2.089 1.00 54.56 23 A 1 ATOM 174 C CA . ALA A 1 23 ? -3.080 -9.923 -2.764 1.00 56.70 23 A 1 ATOM 175 C C . ALA A 1 23 ? -2.796 -9.723 -4.265 1.00 57.01 23 A 1 ATOM 176 O O . ALA A 1 23 ? -1.906 -10.363 -4.815 1.00 55.26 23 A 1 ATOM 177 C CB . ALA A 1 23 ? -4.202 -10.937 -2.528 1.00 55.08 23 A 1 ATOM 178 N N . ALA A 1 24 ? -3.496 -8.792 -4.909 1.00 53.21 24 A 1 ATOM 179 C CA . ALA A 1 24 ? -3.232 -8.436 -6.304 1.00 54.32 24 A 1 ATOM 180 C C . ALA A 1 24 ? -1.917 -7.652 -6.463 1.00 54.59 24 A 1 ATOM 181 O O . ALA A 1 24 ? -1.219 -7.822 -7.455 1.00 53.23 24 A 1 ATOM 182 C CB . ALA A 1 24 ? -4.434 -7.656 -6.841 1.00 52.90 24 A 1 ATOM 183 N N . PHE A 1 25 ? -1.548 -6.848 -5.463 1.00 51.43 25 A 1 ATOM 184 C CA . PHE A 1 25 ? -0.306 -6.073 -5.481 1.00 53.30 25 A 1 ATOM 185 C C . PHE A 1 25 ? 0.944 -6.941 -5.308 1.00 53.58 25 A 1 ATOM 186 O O . PHE A 1 25 ? 1.976 -6.647 -5.902 1.00 52.61 25 A 1 ATOM 187 C CB . PHE A 1 25 ? -0.364 -4.981 -4.407 1.00 52.45 25 A 1 ATOM 188 C CG . PHE A 1 25 ? -0.255 -3.583 -4.980 1.00 49.54 25 A 1 ATOM 189 C CD1 . PHE A 1 25 ? 1.005 -2.970 -5.118 1.00 45.85 25 A 1 ATOM 190 C CD2 . PHE A 1 25 ? -1.412 -2.896 -5.400 1.00 45.22 25 A 1 ATOM 191 C CE1 . PHE A 1 25 ? 1.111 -1.679 -5.668 1.00 41.23 25 A 1 ATOM 192 C CE2 . PHE A 1 25 ? -1.309 -1.606 -5.953 1.00 41.74 25 A 1 ATOM 193 C CZ . PHE A 1 25 ? -0.043 -0.994 -6.086 1.00 43.14 25 A 1 ATOM 194 N N . VAL A 1 26 ? 0.859 -8.029 -4.538 1.00 50.99 26 A 1 ATOM 195 C CA . VAL A 1 26 ? 1.998 -8.938 -4.288 1.00 53.15 26 A 1 ATOM 196 C C . VAL A 1 26 ? 2.452 -9.667 -5.562 1.00 54.53 26 A 1 ATOM 197 O O . VAL A 1 26 ? 3.614 -10.052 -5.667 1.00 52.38 26 A 1 ATOM 198 C CB . VAL A 1 26 ? 1.657 -9.925 -3.153 1.00 50.82 26 A 1 ATOM 199 C CG1 . VAL A 1 26 ? 2.732 -11.003 -2.925 1.00 46.68 26 A 1 ATOM 200 C CG2 . VAL A 1 26 ? 1.526 -9.177 -1.813 1.00 47.67 26 A 1 ATOM 201 N N . ASN A 1 27 ? 1.574 -9.828 -6.542 1.00 54.01 27 A 1 ATOM 202 C CA . ASN A 1 27 ? 1.895 -10.511 -7.800 1.00 56.32 27 A 1 ATOM 203 C C . ASN A 1 27 ? 2.081 -9.560 -8.998 1.00 57.38 27 A 1 ATOM 204 O O . ASN A 1 27 ? 2.358 -10.003 -10.106 1.00 55.90 27 A 1 ATOM 205 C CB . ASN A 1 27 ? 0.836 -11.598 -8.040 1.00 53.77 27 A 1 ATOM 206 C CG . ASN A 1 27 ? 1.406 -12.850 -8.686 1.00 48.61 27 A 1 ATOM 207 O OD1 . ASN A 1 27 ? 2.589 -13.017 -8.913 1.00 45.51 27 A 1 ATOM 208 N ND2 . ASN A 1 27 ? 0.562 -13.815 -8.973 1.00 44.24 27 A 1 ATOM 209 N N . GLN A 1 28 ? 1.938 -8.255 -8.778 1.00 67.24 28 A 1 ATOM 210 C CA . GLN A 1 28 ? 2.303 -7.268 -9.785 1.00 68.06 28 A 1 ATOM 211 C C . GLN A 1 28 ? 3.780 -6.928 -9.609 1.00 70.22 28 A 1 ATOM 212 O O . GLN A 1 28 ? 4.156 -6.085 -8.799 1.00 68.71 28 A 1 ATOM 213 C CB . GLN A 1 28 ? 1.381 -6.041 -9.725 1.00 65.62 28 A 1 ATOM 214 C CG . GLN A 1 28 ? 0.027 -6.361 -10.375 1.00 58.33 28 A 1 ATOM 215 C CD . GLN A 1 28 ? -0.920 -5.170 -10.418 1.00 56.19 28 A 1 ATOM 216 O OE1 . GLN A 1 28 ? -0.603 -4.043 -10.076 1.00 51.07 28 A 1 ATOM 217 N NE2 . GLN A 1 28 ? -2.141 -5.366 -10.863 1.00 47.36 28 A 1 ATOM 218 N N . HIS A 1 29 ? 4.625 -7.590 -10.386 1.00 74.31 29 A 1 ATOM 219 C CA . HIS A 1 29 ? 5.994 -7.133 -10.584 1.00 76.39 29 A 1 ATOM 220 C C . HIS A 1 29 ? 5.936 -5.697 -11.116 1.00 77.89 29 A 1 ATOM 221 O O . HIS A 1 29 ? 5.615 -5.474 -12.282 1.00 75.84 29 A 1 ATOM 222 C CB . HIS A 1 29 ? 6.725 -8.072 -11.556 1.00 75.04 29 A 1 ATOM 223 C CG . HIS A 1 29 ? 7.167 -9.362 -10.916 1.00 68.49 29 A 1 ATOM 224 N ND1 . HIS A 1 29 ? 8.368 -9.563 -10.273 1.00 59.33 29 A 1 ATOM 225 C CD2 . HIS A 1 29 ? 6.481 -10.543 -10.863 1.00 60.16 29 A 1 ATOM 226 C CE1 . HIS A 1 29 ? 8.402 -10.837 -9.845 1.00 56.39 29 A 1 ATOM 227 N NE2 . HIS A 1 29 ? 7.274 -11.475 -10.181 1.00 58.57 29 A 1 ATOM 228 N N . LEU A 1 30 ? 6.230 -4.717 -10.249 1.00 74.11 30 A 1 ATOM 229 C CA . LEU A 1 30 ? 6.474 -3.348 -10.693 1.00 76.62 30 A 1 ATOM 230 C C . LEU A 1 30 ? 7.714 -3.393 -11.581 1.00 79.77 30 A 1 ATOM 231 O O . LEU A 1 30 ? 8.843 -3.482 -11.103 1.00 78.82 30 A 1 ATOM 232 C CB . LEU A 1 30 ? 6.657 -2.394 -9.500 1.00 75.60 30 A 1 ATOM 233 C CG . LEU A 1 30 ? 5.336 -1.864 -8.908 1.00 69.60 30 A 1 ATOM 234 C CD1 . LEU A 1 30 ? 5.092 -2.430 -7.511 1.00 64.10 30 A 1 ATOM 235 C CD2 . LEU A 1 30 ? 5.368 -0.341 -8.799 1.00 64.31 30 A 1 ATOM 236 N N . CYS A 1 31 ? 7.500 -3.379 -12.876 1.00 80.54 31 A 1 ATOM 237 C CA . CYS A 1 31 ? 8.573 -3.349 -13.853 1.00 81.69 31 A 1 ATOM 238 C C . CYS A 1 31 ? 8.605 -1.977 -14.534 1.00 83.35 31 A 1 ATOM 239 O O . CYS A 1 31 ? 7.569 -1.414 -14.879 1.00 79.23 31 A 1 ATOM 240 C CB . CYS A 1 31 ? 8.402 -4.510 -14.844 1.00 79.11 31 A 1 ATOM 241 S SG . CYS A 1 31 ? 8.858 -6.070 -14.052 1.00 73.60 31 A 1 ATOM 242 N N . GLY A 1 32 ? 9.792 -1.460 -14.758 1.00 81.42 32 A 1 ATOM 243 C CA . GLY A 1 32 ? 9.987 -0.207 -15.490 1.00 81.54 32 A 1 ATOM 244 C C . GLY A 1 32 ? 9.932 1.044 -14.608 1.00 84.18 32 A 1 ATOM 245 O O . GLY A 1 32 ? 10.425 1.043 -13.481 1.00 82.37 32 A 1 ATOM 246 N N . SER A 1 33 ? 9.381 2.125 -15.144 1.00 83.97 33 A 1 ATOM 247 C CA . SER A 1 33 ? 9.420 3.460 -14.528 1.00 86.27 33 A 1 ATOM 248 C C . SER A 1 33 ? 8.821 3.516 -13.124 1.00 86.94 33 A 1 ATOM 249 O O . SER A 1 33 ? 9.403 4.147 -12.245 1.00 85.11 33 A 1 ATOM 250 C CB . SER A 1 33 ? 8.699 4.470 -15.429 1.00 85.23 33 A 1 ATOM 251 O OG . SER A 1 33 ? 7.396 4.007 -15.740 1.00 76.59 33 A 1 ATOM 252 N N . HIS A 1 34 ? 7.737 2.787 -12.872 1.00 87.52 34 A 1 ATOM 253 C CA . HIS A 1 34 ? 7.085 2.753 -11.556 1.00 87.47 34 A 1 ATOM 254 C C . HIS A 1 34 ? 7.978 2.150 -10.459 1.00 88.67 34 A 1 ATOM 255 O O . HIS A 1 34 ? 7.910 2.567 -9.303 1.00 87.76 34 A 1 ATOM 256 C CB . HIS A 1 34 ? 5.785 1.954 -11.657 1.00 86.43 34 A 1 ATOM 257 C CG . HIS A 1 34 ? 4.687 2.684 -12.383 1.00 80.63 34 A 1 ATOM 258 N ND1 . HIS A 1 34 ? 4.597 2.892 -13.737 1.00 70.03 34 A 1 ATOM 259 C CD2 . HIS A 1 34 ? 3.584 3.263 -11.814 1.00 68.35 34 A 1 ATOM 260 C CE1 . HIS A 1 34 ? 3.472 3.585 -13.975 1.00 67.35 34 A 1 ATOM 261 N NE2 . HIS A 1 34 ? 2.815 3.823 -12.836 1.00 69.25 34 A 1 ATOM 262 N N . LEU A 1 35 ? 8.840 1.187 -10.797 1.00 87.04 35 A 1 ATOM 263 C CA . LEU A 1 35 ? 9.817 0.641 -9.851 1.00 87.48 35 A 1 ATOM 264 C C . LEU A 1 35 ? 10.884 1.684 -9.503 1.00 88.73 35 A 1 ATOM 265 O O . LEU A 1 35 ? 11.259 1.815 -8.341 1.00 88.38 35 A 1 ATOM 266 C CB . LEU A 1 35 ? 10.452 -0.628 -10.446 1.00 86.45 35 A 1 ATOM 267 C CG . LEU A 1 35 ? 11.484 -1.302 -9.520 1.00 82.66 35 A 1 ATOM 268 C CD1 . LEU A 1 35 ? 10.846 -1.846 -8.242 1.00 77.92 35 A 1 ATOM 269 C CD2 . LEU A 1 35 ? 12.165 -2.451 -10.255 1.00 77.74 35 A 1 ATOM 270 N N . VAL A 1 36 ? 11.347 2.429 -10.491 1.00 87.87 36 A 1 ATOM 271 C CA . VAL A 1 36 ? 12.346 3.489 -10.302 1.00 86.77 36 A 1 ATOM 272 C C . VAL A 1 36 ? 11.783 4.610 -9.433 1.00 87.50 36 A 1 ATOM 273 O O . VAL A 1 36 ? 12.455 5.044 -8.499 1.00 87.26 36 A 1 ATOM 274 C CB . VAL A 1 36 ? 12.850 4.030 -11.653 1.00 84.72 36 A 1 ATOM 275 C CG1 . VAL A 1 36 ? 13.884 5.146 -11.466 1.00 79.51 36 A 1 ATOM 276 C CG2 . VAL A 1 36 ? 13.514 2.913 -12.473 1.00 79.01 36 A 1 ATOM 277 N N . GLU A 1 37 ? 10.542 5.027 -9.673 1.00 84.68 37 A 1 ATOM 278 C CA . GLU A 1 37 ? 9.861 6.025 -8.835 1.00 85.48 37 A 1 ATOM 279 C C . GLU A 1 37 ? 9.685 5.540 -7.394 1.00 86.70 37 A 1 ATOM 280 O O . GLU A 1 37 ? 9.973 6.285 -6.459 1.00 87.28 37 A 1 ATOM 281 C CB . GLU A 1 37 ? 8.490 6.378 -9.427 1.00 85.45 37 A 1 ATOM 282 C CG . GLU A 1 37 ? 8.616 7.348 -10.604 1.00 78.69 37 A 1 ATOM 283 C CD . GLU A 1 37 ? 7.252 7.700 -11.204 1.00 72.53 37 A 1 ATOM 284 O OE1 . GLU A 1 37 ? 7.027 8.900 -11.452 1.00 64.33 37 A 1 ATOM 285 O OE2 . GLU A 1 37 ? 6.461 6.762 -11.452 1.00 63.79 37 A 1 ATOM 286 N N . ALA A 1 38 ? 9.286 4.282 -7.195 1.00 89.30 38 A 1 ATOM 287 C CA . ALA A 1 38 ? 9.159 3.707 -5.857 1.00 88.64 38 A 1 ATOM 288 C C . ALA A 1 38 ? 10.515 3.644 -5.130 1.00 89.36 38 A 1 ATOM 289 O O . ALA A 1 38 ? 10.609 4.002 -3.956 1.00 88.61 38 A 1 ATOM 290 C CB . ALA A 1 38 ? 8.516 2.317 -5.978 1.00 87.75 38 A 1 ATOM 291 N N . LEU A 1 39 ? 11.574 3.243 -5.820 1.00 88.65 39 A 1 ATOM 292 C CA . LEU A 1 39 ? 12.934 3.229 -5.273 1.00 87.55 39 A 1 ATOM 293 C C . LEU A 1 39 ? 13.423 4.638 -4.937 1.00 88.18 39 A 1 ATOM 294 O O . LEU A 1 39 ? 13.994 4.840 -3.869 1.00 87.48 39 A 1 ATOM 295 C CB . LEU A 1 39 ? 13.889 2.553 -6.272 1.00 86.68 39 A 1 ATOM 296 C CG . LEU A 1 39 ? 13.746 1.025 -6.333 1.00 81.92 39 A 1 ATOM 297 C CD1 . LEU A 1 39 ? 14.515 0.494 -7.538 1.00 76.92 39 A 1 ATOM 298 C CD2 . LEU A 1 39 ? 14.290 0.345 -5.076 1.00 77.03 39 A 1 ATOM 299 N N . TYR A 1 40 ? 13.160 5.614 -5.793 1.00 88.37 40 A 1 ATOM 300 C CA . TYR A 1 40 ? 13.517 7.008 -5.541 1.00 87.46 40 A 1 ATOM 301 C C . TYR A 1 40 ? 12.761 7.574 -4.337 1.00 88.48 40 A 1 ATOM 302 O O . TYR A 1 40 ? 13.353 8.261 -3.505 1.00 87.77 40 A 1 ATOM 303 C CB . TYR A 1 40 ? 13.251 7.835 -6.801 1.00 86.05 40 A 1 ATOM 304 C CG . TYR A 1 40 ? 13.850 9.224 -6.714 1.00 80.19 40 A 1 ATOM 305 C CD1 . TYR A 1 40 ? 13.061 10.318 -6.303 1.00 74.51 40 A 1 ATOM 306 C CD2 . TYR A 1 40 ? 15.216 9.411 -7.008 1.00 73.05 40 A 1 ATOM 307 C CE1 . TYR A 1 40 ? 13.639 11.598 -6.195 1.00 69.43 40 A 1 ATOM 308 C CE2 . TYR A 1 40 ? 15.795 10.688 -6.897 1.00 70.08 40 A 1 ATOM 309 C CZ . TYR A 1 40 ? 15.004 11.782 -6.488 1.00 70.35 40 A 1 ATOM 310 O OH . TYR A 1 40 ? 15.566 13.018 -6.378 1.00 68.47 40 A 1 ATOM 311 N N . LEU A 1 41 ? 11.478 7.233 -4.191 1.00 88.62 41 A 1 ATOM 312 C CA . LEU A 1 41 ? 10.657 7.669 -3.061 1.00 88.90 41 A 1 ATOM 313 C C . LEU A 1 41 ? 11.144 7.072 -1.728 1.00 89.21 41 A 1 ATOM 314 O O . LEU A 1 41 ? 11.138 7.756 -0.707 1.00 88.46 41 A 1 ATOM 315 C CB . LEU A 1 41 ? 9.192 7.326 -3.388 1.00 89.38 41 A 1 ATOM 316 C CG . LEU A 1 41 ? 8.168 8.040 -2.488 1.00 81.81 41 A 1 ATOM 317 C CD1 . LEU A 1 41 ? 6.904 8.346 -3.289 1.00 75.62 41 A 1 ATOM 318 C CD2 . LEU A 1 41 ? 7.757 7.198 -1.283 1.00 76.34 41 A 1 ATOM 319 N N . VAL A 1 42 ? 11.595 5.812 -1.729 1.00 90.86 42 A 1 ATOM 320 C CA . VAL A 1 42 ? 12.068 5.117 -0.518 1.00 89.83 42 A 1 ATOM 321 C C . VAL A 1 42 ? 13.523 5.462 -0.184 1.00 89.77 42 A 1 ATOM 322 O O . VAL A 1 42 ? 13.854 5.677 0.982 1.00 88.26 42 A 1 ATOM 323 C CB . VAL A 1 42 ? 11.880 3.596 -0.670 1.00 88.51 42 A 1 ATOM 324 C CG1 . VAL A 1 42 ? 12.470 2.811 0.510 1.00 83.89 42 A 1 ATOM 325 C CG2 . VAL A 1 42 ? 10.389 3.238 -0.737 1.00 83.52 42 A 1 ATOM 326 N N . CYS A 1 43 ? 14.391 5.480 -1.172 1.00 90.48 43 A 1 ATOM 327 C CA . CYS A 1 43 ? 15.832 5.676 -0.982 1.00 89.25 43 A 1 ATOM 328 C C . CYS A 1 43 ? 16.259 7.143 -1.098 1.00 89.44 43 A 1 ATOM 329 O O . CYS A 1 43 ? 17.335 7.495 -0.610 1.00 87.01 43 A 1 ATOM 330 C CB . CYS A 1 43 ? 16.596 4.793 -1.980 1.00 88.03 43 A 1 ATOM 331 S SG . CYS A 1 43 ? 16.245 3.037 -1.702 1.00 84.99 43 A 1 ATOM 332 N N . GLY A 1 44 ? 15.447 7.992 -1.708 1.00 89.74 44 A 1 ATOM 333 C CA . GLY A 1 44 ? 15.739 9.400 -1.951 1.00 87.28 44 A 1 ATOM 334 C C . GLY A 1 44 ? 17.089 9.599 -2.645 1.00 86.73 44 A 1 ATOM 335 O O . GLY A 1 44 ? 17.467 8.848 -3.543 1.00 82.48 44 A 1 ATOM 336 N N . GLU A 1 45 ? 17.843 10.583 -2.181 1.00 83.33 45 A 1 ATOM 337 C CA . GLU A 1 45 ? 19.172 10.919 -2.719 1.00 83.17 45 A 1 ATOM 338 C C . GLU A 1 45 ? 20.262 9.882 -2.386 1.00 82.00 45 A 1 ATOM 339 O O . GLU A 1 45 ? 21.361 9.944 -2.935 1.00 78.95 45 A 1 ATOM 340 C CB . GLU A 1 45 ? 19.614 12.297 -2.203 1.00 81.65 45 A 1 ATOM 341 C CG . GLU A 1 45 ? 18.666 13.428 -2.620 1.00 73.50 45 A 1 ATOM 342 C CD . GLU A 1 45 ? 19.283 14.798 -2.292 1.00 66.90 45 A 1 ATOM 343 O OE1 . GLU A 1 45 ? 19.460 15.583 -3.238 1.00 60.46 45 A 1 ATOM 344 O OE2 . GLU A 1 45 ? 19.578 15.028 -1.097 1.00 60.27 45 A 1 ATOM 345 N N . ARG A 1 46 ? 19.984 8.913 -1.501 1.00 86.13 46 A 1 ATOM 346 C CA . ARG A 1 46 ? 20.973 7.874 -1.141 1.00 84.18 46 A 1 ATOM 347 C C . ARG A 1 46 ? 21.190 6.856 -2.259 1.00 83.11 46 A 1 ATOM 348 O O . ARG A 1 46 ? 22.167 6.118 -2.209 1.00 77.17 46 A 1 ATOM 349 C CB . ARG A 1 46 ? 20.576 7.180 0.171 1.00 84.04 46 A 1 ATOM 350 C CG . ARG A 1 46 ? 20.585 8.160 1.350 1.00 78.15 46 A 1 ATOM 351 C CD . ARG A 1 46 ? 20.239 7.426 2.643 1.00 72.81 46 A 1 ATOM 352 N NE . ARG A 1 46 ? 20.268 8.341 3.801 1.00 65.78 46 A 1 ATOM 353 C CZ . ARG A 1 46 ? 19.821 8.078 5.012 1.00 59.71 46 A 1 ATOM 354 N NH1 . ARG A 1 46 ? 19.296 6.921 5.316 1.00 56.32 46 A 1 ATOM 355 N NH2 . ARG A 1 46 ? 19.895 8.985 5.948 1.00 55.18 46 A 1 ATOM 356 N N . GLY A 1 47 ? 20.301 6.837 -3.240 1.00 82.18 47 A 1 ATOM 357 C CA . GLY A 1 47 ? 20.367 5.918 -4.369 1.00 80.57 47 A 1 ATOM 358 C C . GLY A 1 47 ? 20.092 4.465 -3.982 1.00 81.25 47 A 1 ATOM 359 O O . GLY A 1 47 ? 19.969 4.100 -2.811 1.00 76.86 47 A 1 ATOM 360 N N . PHE A 1 48 ? 19.987 3.629 -4.995 1.00 80.76 48 A 1 ATOM 361 C CA . PHE A 1 48 ? 19.800 2.191 -4.849 1.00 80.98 48 A 1 ATOM 362 C C . PHE A 1 48 ? 21.094 1.465 -5.226 1.00 81.73 48 A 1 ATOM 363 O O . PHE A 1 48 ? 21.547 1.543 -6.369 1.00 79.56 48 A 1 ATOM 364 C CB . PHE A 1 48 ? 18.612 1.747 -5.704 1.00 79.28 48 A 1 ATOM 365 C CG . PHE A 1 48 ? 18.396 0.247 -5.696 1.00 74.54 48 A 1 ATOM 366 C CD1 . PHE A 1 48 ? 18.770 -0.524 -6.814 1.00 70.09 48 A 1 ATOM 367 C CD2 . PHE A 1 48 ? 17.839 -0.378 -4.569 1.00 69.39 48 A 1 ATOM 368 C CE1 . PHE A 1 48 ? 18.574 -1.914 -6.803 1.00 63.97 48 A 1 ATOM 369 C CE2 . PHE A 1 48 ? 17.646 -1.771 -4.557 1.00 64.64 48 A 1 ATOM 370 C CZ . PHE A 1 48 ? 18.010 -2.539 -5.676 1.00 65.44 48 A 1 ATOM 371 N N . PHE A 1 49 ? 21.662 0.750 -4.268 1.00 77.93 49 A 1 ATOM 372 C CA . PHE A 1 49 ? 22.867 -0.051 -4.481 1.00 78.41 49 A 1 ATOM 373 C C . PHE A 1 49 ? 22.502 -1.531 -4.412 1.00 79.33 49 A 1 ATOM 374 O O . PHE A 1 49 ? 22.098 -2.034 -3.364 1.00 77.53 49 A 1 ATOM 375 C CB . PHE A 1 49 ? 23.948 0.331 -3.459 1.00 77.03 49 A 1 ATOM 376 C CG . PHE A 1 49 ? 24.421 1.767 -3.600 1.00 71.50 49 A 1 ATOM 377 C CD1 . PHE A 1 49 ? 25.412 2.097 -4.543 1.00 66.32 49 A 1 ATOM 378 C CD2 . PHE A 1 49 ? 23.844 2.779 -2.812 1.00 66.40 49 A 1 ATOM 379 C CE1 . PHE A 1 49 ? 25.820 3.434 -4.695 1.00 60.38 49 A 1 ATOM 380 C CE2 . PHE A 1 49 ? 24.248 4.117 -2.967 1.00 61.59 49 A 1 ATOM 381 C CZ . PHE A 1 49 ? 25.238 4.443 -3.911 1.00 62.71 49 A 1 ATOM 382 N N . TYR A 1 50 ? 22.645 -2.227 -5.527 1.00 77.69 50 A 1 ATOM 383 C CA . TYR A 1 50 ? 22.445 -3.668 -5.604 1.00 79.63 50 A 1 ATOM 384 C C . TYR A 1 50 ? 23.785 -4.357 -5.858 1.00 82.27 50 A 1 ATOM 385 O O . TYR A 1 50 ? 24.404 -4.174 -6.907 1.00 81.85 50 A 1 ATOM 386 C CB . TYR A 1 50 ? 21.414 -3.989 -6.687 1.00 77.70 50 A 1 ATOM 387 C CG . TYR A 1 50 ? 21.145 -5.475 -6.823 1.00 74.91 50 A 1 ATOM 388 C CD1 . TYR A 1 50 ? 21.659 -6.191 -7.925 1.00 73.45 50 A 1 ATOM 389 C CD2 . TYR A 1 50 ? 20.401 -6.150 -5.839 1.00 71.62 50 A 1 ATOM 390 C CE1 . TYR A 1 50 ? 21.420 -7.571 -8.044 1.00 68.80 50 A 1 ATOM 391 C CE2 . TYR A 1 50 ? 20.162 -7.531 -5.949 1.00 69.37 50 A 1 ATOM 392 C CZ . TYR A 1 50 ? 20.672 -8.241 -7.055 1.00 69.88 50 A 1 ATOM 393 O OH . TYR A 1 50 ? 20.447 -9.578 -7.168 1.00 66.99 50 A 1 ATOM 394 N N . THR A 1 51 ? 24.217 -5.152 -4.892 1.00 77.07 51 A 1 ATOM 395 C CA . THR A 1 51 ? 25.359 -6.056 -5.062 1.00 79.68 51 A 1 ATOM 396 C C . THR A 1 51 ? 24.824 -7.464 -5.316 1.00 80.87 51 A 1 ATOM 397 O O . THR A 1 51 ? 24.243 -8.061 -4.403 1.00 80.71 51 A 1 ATOM 398 C CB . THR A 1 51 ? 26.296 -6.026 -3.842 1.00 78.09 51 A 1 ATOM 399 O OG1 . THR A 1 51 ? 25.564 -6.075 -2.648 1.00 69.97 51 A 1 ATOM 400 C CG2 . THR A 1 51 ? 27.121 -4.739 -3.811 1.00 68.72 51 A 1 ATOM 401 N N . PRO A 1 52 ? 24.960 -7.994 -6.531 1.00 78.47 52 A 1 ATOM 402 C CA . PRO A 1 52 ? 24.572 -9.369 -6.794 1.00 80.81 52 A 1 ATOM 403 C C . PRO A 1 52 ? 25.409 -10.299 -5.911 1.00 81.62 52 A 1 ATOM 404 O O . PRO A 1 52 ? 26.630 -10.162 -5.831 1.00 78.80 52 A 1 ATOM 405 C CB . PRO A 1 52 ? 24.804 -9.589 -8.294 1.00 79.38 52 A 1 ATOM 406 C CG . PRO A 1 52 ? 25.860 -8.546 -8.660 1.00 76.27 52 A 1 ATOM 407 C CD . PRO A 1 52 ? 25.594 -7.396 -7.697 1.00 79.28 52 A 1 ATOM 408 N N . LYS A 1 53 ? 24.755 -11.233 -5.218 1.00 78.40 53 A 1 ATOM 409 C CA . LYS A 1 53 ? 25.455 -12.334 -4.553 1.00 79.44 53 A 1 ATOM 410 C C . LYS A 1 53 ? 26.042 -13.223 -5.642 1.00 79.08 53 A 1 ATOM 411 O O . LYS A 1 53 ? 25.293 -13.852 -6.380 1.00 77.17 53 A 1 ATOM 412 C CB . LYS A 1 53 ? 24.509 -13.123 -3.629 1.00 78.46 53 A 1 ATOM 413 C CG . LYS A 1 53 ? 24.426 -12.507 -2.227 1.00 69.00 53 A 1 ATOM 414 C CD . LYS A 1 53 ? 23.508 -13.348 -1.333 1.00 66.39 53 A 1 ATOM 415 C CE . LYS A 1 53 ? 23.512 -12.805 0.096 1.00 60.96 53 A 1 ATOM 416 N NZ . LYS A 1 53 ? 22.588 -13.567 0.975 1.00 54.43 53 A 1 ATOM 417 N N . THR A 1 54 ? 27.356 -13.213 -5.746 1.00 79.27 54 A 1 ATOM 418 C CA . THR A 1 54 ? 28.131 -14.167 -6.548 1.00 79.32 54 A 1 ATOM 419 C C . THR A 1 54 ? 28.328 -15.448 -5.748 1.00 74.06 54 A 1 ATOM 420 O O . THR A 1 54 ? 28.519 -15.333 -4.517 1.00 67.80 54 A 1 ATOM 421 C CB . THR A 1 54 ? 29.496 -13.584 -6.956 1.00 74.40 54 A 1 ATOM 422 O OG1 . THR A 1 54 ? 29.430 -12.189 -7.111 1.00 64.46 54 A 1 ATOM 423 C CG2 . THR A 1 54 ? 29.965 -14.163 -8.283 1.00 63.98 54 A 1 ATOM 424 O OXT . THR A 1 54 ? 28.314 -16.514 -6.400 1.00 63.91 54 A 1 #