# 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_gnarl3 # _entry.id gnarl3 # 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" "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 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" "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 ASN 2 1 n TYR 3 1 n ALA 4 1 n LEU 5 1 n TYR 6 1 n GLN 7 1 n TYR 8 1 n ILE 9 1 n ASN 10 1 n ARG 11 1 n ASP 12 1 n GLY 13 1 n VAL 14 1 n VAL 15 1 n ALA 16 1 n HIS 17 1 n ALA 18 1 n LEU 19 1 n VAL 20 1 n ASN 21 1 n THR 22 1 n LYS 23 1 n THR 24 1 n LYS 25 1 n ASP 26 1 n VAL 27 1 n MET 28 1 n LEU 29 1 n ALA 30 1 n ASP 31 1 n THR 32 1 n VAL 33 1 n ILE 34 1 n TYR 35 1 n PHE 36 1 n GLU 37 1 n ARG 38 1 n GLY 39 1 n ASN 40 1 n LEU 41 1 n VAL 42 1 n TRP 43 1 n LYS 44 1 n PRO 45 1 n ALA 46 1 n ALA 47 1 n HIS 48 1 n PRO 49 1 n GLU 50 1 n TYR 51 1 n VAL 52 1 n TRP 53 1 n LEU 54 1 n ALA 55 1 n ILE 56 1 n GLN 57 1 n ASN 58 1 n ASP 59 1 n LYS 60 1 n HIS 61 1 n HIS 62 1 n LYS 63 1 n ILE 64 1 n VAL 65 1 n ALA 66 1 n MET 67 1 n ALA 68 1 n THR 69 1 n HIS 70 1 n PRO 71 1 n HIS 72 1 n PHE 73 1 n ILE 74 1 n LYS 75 1 n ALA 76 1 n ARG 77 1 n GLY 78 # _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 01:04:36)" _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 85.32 _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 78.23 1 1 A ASN 2 2 87.19 1 2 A TYR 3 2 94.84 1 3 A ALA 4 2 96.99 1 4 A LEU 5 2 95.33 1 5 A TYR 6 2 95.21 1 6 A GLN 7 2 92.23 1 7 A TYR 8 2 94.21 1 8 A ILE 9 2 90.11 1 9 A ASN 10 2 86.15 1 10 A ARG 11 2 70.75 1 11 A ASP 12 2 84.64 1 12 A GLY 13 2 90.19 1 13 A VAL 14 2 88.53 1 14 A VAL 15 2 90.99 1 15 A ALA 16 2 93.91 1 16 A HIS 17 2 91.14 1 17 A ALA 18 2 96.20 1 18 A LEU 19 2 95.37 1 19 A VAL 20 2 95.68 1 20 A ASN 21 2 94.50 1 21 A THR 22 2 91.90 1 22 A LYS 23 2 85.84 1 23 A THR 24 2 92.79 1 24 A LYS 25 2 84.31 1 25 A ASP 26 2 91.17 1 26 A VAL 27 2 95.09 1 27 A MET 28 2 92.26 1 28 A LEU 29 2 93.15 1 29 A ALA 30 2 90.58 1 30 A ASP 31 2 80.20 1 31 A THR 32 2 72.93 1 32 A VAL 33 2 65.72 1 33 A ILE 34 2 58.01 1 34 A TYR 35 2 50.70 1 35 A PHE 36 2 50.14 1 36 A GLU 37 2 49.36 1 37 A ARG 38 2 51.99 1 38 A GLY 39 2 66.51 1 39 A ASN 40 2 72.84 1 40 A LEU 41 2 82.77 1 41 A VAL 42 2 86.67 1 42 A TRP 43 2 93.52 1 43 A LYS 44 2 84.94 1 44 A PRO 45 2 93.80 1 45 A ALA 46 2 93.94 1 46 A ALA 47 2 92.30 1 47 A HIS 48 2 88.99 1 48 A PRO 49 2 93.99 1 49 A GLU 50 2 85.46 1 50 A TYR 51 2 85.01 1 51 A VAL 52 2 93.94 1 52 A TRP 53 2 83.40 1 53 A LEU 54 2 89.65 1 54 A ALA 55 2 94.21 1 55 A ILE 56 2 94.75 1 56 A GLN 57 2 87.20 1 57 A ASN 58 2 90.06 1 58 A ASP 59 2 93.39 1 59 A LYS 60 2 84.40 1 60 A HIS 61 2 87.00 1 61 A HIS 62 2 92.38 1 62 A LYS 63 2 89.97 1 63 A ILE 64 2 95.13 1 64 A VAL 65 2 94.10 1 65 A ALA 66 2 95.90 1 66 A MET 67 2 91.18 1 67 A ALA 68 2 96.02 1 68 A THR 69 2 93.02 1 69 A HIS 70 2 84.57 1 70 A PRO 71 2 91.22 1 71 A HIS 72 2 78.02 1 72 A PHE 73 2 87.30 1 73 A ILE 74 2 90.51 1 74 A LYS 75 2 80.20 1 75 A ALA 76 2 89.04 1 76 A ARG 77 2 76.15 1 77 A GLY 78 2 76.08 1 78 # _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 TYR . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n TYR . 6 A 6 A 7 1 n GLN . 7 A 7 A 8 1 n TYR . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n ASN . 10 A 10 A 11 1 n ARG . 11 A 11 A 12 1 n ASP . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n HIS . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n ASN . 21 A 21 A 22 1 n THR . 22 A 22 A 23 1 n LYS . 23 A 23 A 24 1 n THR . 24 A 24 A 25 1 n LYS . 25 A 25 A 26 1 n ASP . 26 A 26 A 27 1 n VAL . 27 A 27 A 28 1 n MET . 28 A 28 A 29 1 n LEU . 29 A 29 A 30 1 n ALA . 30 A 30 A 31 1 n ASP . 31 A 31 A 32 1 n THR . 32 A 32 A 33 1 n VAL . 33 A 33 A 34 1 n ILE . 34 A 34 A 35 1 n TYR . 35 A 35 A 36 1 n PHE . 36 A 36 A 37 1 n GLU . 37 A 37 A 38 1 n ARG . 38 A 38 A 39 1 n GLY . 39 A 39 A 40 1 n ASN . 40 A 40 A 41 1 n LEU . 41 A 41 A 42 1 n VAL . 42 A 42 A 43 1 n TRP . 43 A 43 A 44 1 n LYS . 44 A 44 A 45 1 n PRO . 45 A 45 A 46 1 n ALA . 46 A 46 A 47 1 n ALA . 47 A 47 A 48 1 n HIS . 48 A 48 A 49 1 n PRO . 49 A 49 A 50 1 n GLU . 50 A 50 A 51 1 n TYR . 51 A 51 A 52 1 n VAL . 52 A 52 A 53 1 n TRP . 53 A 53 A 54 1 n LEU . 54 A 54 A 55 1 n ALA . 55 A 55 A 56 1 n ILE . 56 A 56 A 57 1 n GLN . 57 A 57 A 58 1 n ASN . 58 A 58 A 59 1 n ASP . 59 A 59 A 60 1 n LYS . 60 A 60 A 61 1 n HIS . 61 A 61 A 62 1 n HIS . 62 A 62 A 63 1 n LYS . 63 A 63 A 64 1 n ILE . 64 A 64 A 65 1 n VAL . 65 A 65 A 66 1 n ALA . 66 A 66 A 67 1 n MET . 67 A 67 A 68 1 n ALA . 68 A 68 A 69 1 n THR . 69 A 69 A 70 1 n HIS . 70 A 70 A 71 1 n PRO . 71 A 71 A 72 1 n HIS . 72 A 72 A 73 1 n PHE . 73 A 73 A 74 1 n ILE . 74 A 74 A 75 1 n LYS . 75 A 75 A 76 1 n ALA . 76 A 76 A 77 1 n ARG . 77 A 77 A 78 1 n GLY . 78 A 78 # _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 . MET A 1 1 ? -13.026 -10.898 6.289 1.00 81.27 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.529 -9.731 5.526 1.00 86.85 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.724 -10.245 4.342 1.00 88.33 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.068 -11.269 4.482 1.00 83.50 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.688 -8.814 6.418 1.00 79.63 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.557 -8.128 7.486 1.00 73.78 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.602 -7.081 8.598 1.00 70.10 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.901 -6.490 9.719 1.00 62.39 1 A 1 ATOM 9 N N . ASN A 1 2 ? -11.816 -9.595 3.183 1.00 94.10 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -11.215 -10.096 1.938 1.00 94.24 2 A 1 ATOM 11 C C . ASN A 1 2 ? -9.906 -9.382 1.567 1.00 95.51 2 A 1 ATOM 12 O O . ASN A 1 2 ? -9.181 -9.873 0.715 1.00 93.90 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -12.240 -9.982 0.797 1.00 90.10 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -13.506 -10.796 1.013 1.00 82.90 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -13.546 -11.817 1.685 1.00 72.75 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -14.603 -10.352 0.443 1.00 74.01 2 A 1 ATOM 17 N N . TYR A 1 3 ? -9.605 -8.240 2.177 1.00 96.23 3 A 1 ATOM 18 C CA . TYR A 1 3 ? -8.427 -7.434 1.867 1.00 96.72 3 A 1 ATOM 19 C C . TYR A 1 3 ? -7.633 -7.134 3.135 1.00 97.03 3 A 1 ATOM 20 O O . TYR A 1 3 ? -8.216 -6.792 4.167 1.00 96.34 3 A 1 ATOM 21 C CB . TYR A 1 3 ? -8.847 -6.142 1.157 1.00 96.15 3 A 1 ATOM 22 C CG . TYR A 1 3 ? -9.505 -6.380 -0.186 1.00 95.93 3 A 1 ATOM 23 C CD1 . TYR A 1 3 ? -8.723 -6.453 -1.356 1.00 94.08 3 A 1 ATOM 24 C CD2 . TYR A 1 3 ? -10.904 -6.567 -0.266 1.00 94.46 3 A 1 ATOM 25 C CE1 . TYR A 1 3 ? -9.329 -6.709 -2.597 1.00 93.16 3 A 1 ATOM 26 C CE2 . TYR A 1 3 ? -11.515 -6.831 -1.507 1.00 93.23 3 A 1 ATOM 27 C CZ . TYR A 1 3 ? -10.724 -6.902 -2.672 1.00 93.40 3 A 1 ATOM 28 O OH . TYR A 1 3 ? -11.311 -7.166 -3.876 1.00 91.32 3 A 1 ATOM 29 N N . ALA A 1 4 ? -6.304 -7.241 3.034 1.00 96.96 4 A 1 ATOM 30 C CA . ALA A 1 4 ? -5.357 -6.885 4.080 1.00 97.02 4 A 1 ATOM 31 C C . ALA A 1 4 ? -4.356 -5.861 3.534 1.00 97.14 4 A 1 ATOM 32 O O . ALA A 1 4 ? -3.782 -6.064 2.462 1.00 96.99 4 A 1 ATOM 33 C CB . ALA A 1 4 ? -4.664 -8.163 4.575 1.00 96.83 4 A 1 ATOM 34 N N . LEU A 1 5 ? -4.154 -4.764 4.260 1.00 96.65 5 A 1 ATOM 35 C CA . LEU A 1 5 ? -3.135 -3.769 3.954 1.00 96.67 5 A 1 ATOM 36 C C . LEU A 1 5 ? -1.846 -4.142 4.687 1.00 96.70 5 A 1 ATOM 37 O O . LEU A 1 5 ? -1.791 -4.078 5.919 1.00 96.48 5 A 1 ATOM 38 C CB . LEU A 1 5 ? -3.643 -2.371 4.347 1.00 96.25 5 A 1 ATOM 39 C CG . LEU A 1 5 ? -2.652 -1.236 4.029 1.00 94.79 5 A 1 ATOM 40 C CD1 . LEU A 1 5 ? -2.434 -1.075 2.524 1.00 92.51 5 A 1 ATOM 41 C CD2 . LEU A 1 5 ? -3.196 0.089 4.572 1.00 92.62 5 A 1 ATOM 42 N N . TYR A 1 6 ? -0.829 -4.524 3.924 1.00 96.87 6 A 1 ATOM 43 C CA . TYR A 1 6 ? 0.511 -4.777 4.435 1.00 96.67 6 A 1 ATOM 44 C C . TYR A 1 6 ? 1.322 -3.488 4.414 1.00 96.51 6 A 1 ATOM 45 O O . TYR A 1 6 ? 1.313 -2.768 3.422 1.00 96.23 6 A 1 ATOM 46 C CB . TYR A 1 6 ? 1.189 -5.877 3.617 1.00 96.54 6 A 1 ATOM 47 C CG . TYR A 1 6 ? 0.607 -7.256 3.873 1.00 96.22 6 A 1 ATOM 48 C CD1 . TYR A 1 6 ? 1.240 -8.134 4.779 1.00 94.39 6 A 1 ATOM 49 C CD2 . TYR A 1 6 ? -0.575 -7.666 3.218 1.00 94.79 6 A 1 ATOM 50 C CE1 . TYR A 1 6 ? 0.704 -9.413 5.026 1.00 93.56 6 A 1 ATOM 51 C CE2 . TYR A 1 6 ? -1.120 -8.940 3.469 1.00 93.80 6 A 1 ATOM 52 C CZ . TYR A 1 6 ? -0.476 -9.813 4.372 1.00 94.38 6 A 1 ATOM 53 O OH . TYR A 1 6 ? -1.001 -11.049 4.610 1.00 92.59 6 A 1 ATOM 54 N N . GLN A 1 7 ? 2.034 -3.223 5.498 1.00 96.71 7 A 1 ATOM 55 C CA . GLN A 1 7 ? 3.159 -2.300 5.550 1.00 96.74 7 A 1 ATOM 56 C C . GLN A 1 7 ? 4.442 -3.127 5.576 1.00 96.68 7 A 1 ATOM 57 O O . GLN A 1 7 ? 4.535 -4.070 6.360 1.00 96.39 7 A 1 ATOM 58 C CB . GLN A 1 7 ? 3.027 -1.409 6.792 1.00 96.16 7 A 1 ATOM 59 C CG . GLN A 1 7 ? 4.174 -0.393 6.897 1.00 92.39 7 A 1 ATOM 60 C CD . GLN A 1 7 ? 4.118 0.445 8.176 1.00 90.32 7 A 1 ATOM 61 O OE1 . GLN A 1 7 ? 3.126 0.561 8.888 1.00 84.08 7 A 1 ATOM 62 N NE2 . GLN A 1 7 ? 5.220 1.063 8.544 1.00 80.64 7 A 1 ATOM 63 N N . TYR A 1 8 ? 5.413 -2.782 4.729 1.00 95.63 8 A 1 ATOM 64 C CA . TYR A 1 8 ? 6.695 -3.479 4.610 1.00 95.35 8 A 1 ATOM 65 C C . TYR A 1 8 ? 7.786 -2.508 4.145 1.00 94.86 8 A 1 ATOM 66 O O . TYR A 1 8 ? 7.484 -1.409 3.676 1.00 94.04 8 A 1 ATOM 67 C CB . TYR A 1 8 ? 6.548 -4.659 3.628 1.00 95.05 8 A 1 ATOM 68 C CG . TYR A 1 8 ? 6.320 -4.281 2.175 1.00 95.03 8 A 1 ATOM 69 C CD1 . TYR A 1 8 ? 5.067 -3.787 1.749 1.00 94.10 8 A 1 ATOM 70 C CD2 . TYR A 1 8 ? 7.367 -4.407 1.240 1.00 94.30 8 A 1 ATOM 71 C CE1 . TYR A 1 8 ? 4.860 -3.423 0.407 1.00 93.27 8 A 1 ATOM 72 C CE2 . TYR A 1 8 ? 7.166 -4.046 -0.107 1.00 93.32 8 A 1 ATOM 73 C CZ . TYR A 1 8 ? 5.913 -3.553 -0.524 1.00 93.41 8 A 1 ATOM 74 O OH . TYR A 1 8 ? 5.719 -3.198 -1.829 1.00 92.16 8 A 1 ATOM 75 N N . ILE A 1 9 ? 9.044 -2.922 4.263 1.00 93.97 9 A 1 ATOM 76 C CA . ILE A 1 9 ? 10.189 -2.197 3.706 1.00 93.26 9 A 1 ATOM 77 C C . ILE A 1 9 ? 10.486 -2.778 2.321 1.00 92.14 9 A 1 ATOM 78 O O . ILE A 1 9 ? 10.669 -3.984 2.161 1.00 90.36 9 A 1 ATOM 79 C CB . ILE A 1 9 ? 11.394 -2.248 4.670 1.00 92.94 9 A 1 ATOM 80 C CG1 . ILE A 1 9 ? 11.016 -1.575 6.017 1.00 89.69 9 A 1 ATOM 81 C CG2 . ILE A 1 9 ? 12.606 -1.538 4.040 1.00 88.71 9 A 1 ATOM 82 C CD1 . ILE A 1 9 ? 12.096 -1.660 7.099 1.00 79.81 9 A 1 ATOM 83 N N . ASN A 1 10 ? 10.495 -1.929 1.290 1.00 90.98 10 A 1 ATOM 84 C CA . ASN A 1 10 ? 10.812 -2.352 -0.069 1.00 88.70 10 A 1 ATOM 85 C C . ASN A 1 10 ? 12.332 -2.533 -0.260 1.00 88.15 10 A 1 ATOM 86 O O . ASN A 1 10 ? 13.130 -2.305 0.651 1.00 86.11 10 A 1 ATOM 87 C CB . ASN A 1 10 ? 10.131 -1.395 -1.074 1.00 86.33 10 A 1 ATOM 88 C CG . ASN A 1 10 ? 10.810 -0.047 -1.225 1.00 86.10 10 A 1 ATOM 89 O OD1 . ASN A 1 10 ? 11.864 0.217 -0.677 1.00 81.13 10 A 1 ATOM 90 N ND2 . ASN A 1 10 ? 10.249 0.829 -2.026 1.00 81.71 10 A 1 ATOM 91 N N . ARG A 1 11 ? 12.744 -2.944 -1.469 1.00 84.44 11 A 1 ATOM 92 C CA . ARG A 1 11 ? 14.165 -3.180 -1.790 1.00 83.59 11 A 1 ATOM 93 C C . ARG A 1 11 ? 15.036 -1.923 -1.703 1.00 84.92 11 A 1 ATOM 94 O O . ARG A 1 11 ? 16.233 -2.052 -1.489 1.00 81.97 11 A 1 ATOM 95 C CB . ARG A 1 11 ? 14.294 -3.806 -3.187 1.00 81.22 11 A 1 ATOM 96 C CG . ARG A 1 11 ? 13.710 -5.226 -3.239 1.00 72.69 11 A 1 ATOM 97 C CD . ARG A 1 11 ? 13.955 -5.828 -4.622 1.00 69.50 11 A 1 ATOM 98 N NE . ARG A 1 11 ? 13.405 -7.194 -4.718 1.00 61.60 11 A 1 ATOM 99 C CZ . ARG A 1 11 ? 13.458 -7.979 -5.786 1.00 56.83 11 A 1 ATOM 100 N NH1 . ARG A 1 11 ? 14.039 -7.597 -6.890 1.00 52.56 11 A 1 ATOM 101 N NH2 . ARG A 1 11 ? 12.916 -9.168 -5.756 1.00 48.92 11 A 1 ATOM 102 N N . ASP A 1 12 ? 14.440 -0.748 -1.825 1.00 85.89 12 A 1 ATOM 103 C CA . ASP A 1 12 ? 15.134 0.543 -1.726 1.00 87.55 12 A 1 ATOM 104 C C . ASP A 1 12 ? 15.238 1.035 -0.267 1.00 89.49 12 A 1 ATOM 105 O O . ASP A 1 12 ? 15.698 2.144 -0.004 1.00 87.19 12 A 1 ATOM 106 C CB . ASP A 1 12 ? 14.432 1.568 -2.631 1.00 86.12 12 A 1 ATOM 107 C CG . ASP A 1 12 ? 14.251 1.066 -4.066 1.00 83.32 12 A 1 ATOM 108 O OD1 . ASP A 1 12 ? 15.231 0.528 -4.629 1.00 79.13 12 A 1 ATOM 109 O OD2 . ASP A 1 12 ? 13.105 1.165 -4.559 1.00 78.46 12 A 1 ATOM 110 N N . GLY A 1 13 ? 14.797 0.220 0.702 1.00 88.76 13 A 1 ATOM 111 C CA . GLY A 1 13 ? 14.820 0.571 2.122 1.00 90.32 13 A 1 ATOM 112 C C . GLY A 1 13 ? 13.715 1.542 2.547 1.00 91.85 13 A 1 ATOM 113 O O . GLY A 1 13 ? 13.784 2.106 3.642 1.00 89.84 13 A 1 ATOM 114 N N . VAL A 1 14 ? 12.694 1.741 1.703 1.00 90.09 14 A 1 ATOM 115 C CA . VAL A 1 14 ? 11.589 2.674 1.959 1.00 91.02 14 A 1 ATOM 116 C C . VAL A 1 14 ? 10.368 1.912 2.466 1.00 91.98 14 A 1 ATOM 117 O O . VAL A 1 14 ? 10.048 0.822 1.991 1.00 90.83 14 A 1 ATOM 118 C CB . VAL A 1 14 ? 11.269 3.509 0.704 1.00 88.84 14 A 1 ATOM 119 C CG1 . VAL A 1 14 ? 10.165 4.542 0.966 1.00 83.43 14 A 1 ATOM 120 C CG2 . VAL A 1 14 ? 12.508 4.275 0.221 1.00 83.51 14 A 1 ATOM 121 N N . VAL A 1 15 ? 9.661 2.494 3.438 1.00 92.14 15 A 1 ATOM 122 C CA . VAL A 1 15 ? 8.368 1.971 3.898 1.00 92.54 15 A 1 ATOM 123 C C . VAL A 1 15 ? 7.353 2.082 2.767 1.00 92.37 15 A 1 ATOM 124 O O . VAL A 1 15 ? 7.094 3.170 2.267 1.00 91.25 15 A 1 ATOM 125 C CB . VAL A 1 15 ? 7.863 2.705 5.151 1.00 91.88 15 A 1 ATOM 126 C CG1 . VAL A 1 15 ? 6.484 2.191 5.592 1.00 88.13 15 A 1 ATOM 127 C CG2 . VAL A 1 15 ? 8.824 2.509 6.329 1.00 88.63 15 A 1 ATOM 128 N N . ALA A 1 16 ? 6.747 0.954 2.404 1.00 93.93 16 A 1 ATOM 129 C CA . ALA A 1 16 ? 5.749 0.845 1.353 1.00 93.92 16 A 1 ATOM 130 C C . ALA A 1 16 ? 4.493 0.128 1.860 1.00 94.72 16 A 1 ATOM 131 O O . ALA A 1 16 ? 4.508 -0.572 2.882 1.00 94.21 16 A 1 ATOM 132 C CB . ALA A 1 16 ? 6.390 0.137 0.153 1.00 92.78 16 A 1 ATOM 133 N N . HIS A 1 17 ? 3.385 0.287 1.125 1.00 95.04 17 A 1 ATOM 134 C CA . HIS A 1 17 ? 2.119 -0.372 1.413 1.00 95.08 17 A 1 ATOM 135 C C . HIS A 1 17 ? 1.614 -1.153 0.199 1.00 94.95 17 A 1 ATOM 136 O O . HIS A 1 17 ? 1.653 -0.676 -0.932 1.00 93.90 17 A 1 ATOM 137 C CB . HIS A 1 17 ? 1.084 0.645 1.891 1.00 94.47 17 A 1 ATOM 138 C CG . HIS A 1 17 ? 1.450 1.332 3.183 1.00 93.34 17 A 1 ATOM 139 N ND1 . HIS A 1 17 ? 2.287 2.419 3.327 1.00 84.69 17 A 1 ATOM 140 C CD2 . HIS A 1 17 ? 0.992 1.013 4.437 1.00 85.36 17 A 1 ATOM 141 C CE1 . HIS A 1 17 ? 2.335 2.737 4.631 1.00 86.70 17 A 1 ATOM 142 N NE2 . HIS A 1 17 ? 1.553 1.913 5.347 1.00 87.84 17 A 1 ATOM 143 N N . ALA A 1 18 ? 1.076 -2.345 0.452 1.00 95.89 18 A 1 ATOM 144 C CA . ALA A 1 18 ? 0.422 -3.168 -0.555 1.00 96.18 18 A 1 ATOM 145 C C . ALA A 1 18 ? -0.911 -3.691 -0.021 1.00 96.70 18 A 1 ATOM 146 O O . ALA A 1 18 ? -0.991 -4.223 1.092 1.00 96.49 18 A 1 ATOM 147 C CB . ALA A 1 18 ? 1.356 -4.307 -0.971 1.00 95.75 18 A 1 ATOM 148 N N . LEU A 1 19 ? -1.967 -3.557 -0.821 1.00 96.22 19 A 1 ATOM 149 C CA . LEU A 1 19 ? -3.281 -4.095 -0.505 1.00 96.40 19 A 1 ATOM 150 C C . LEU A 1 19 ? -3.431 -5.461 -1.172 1.00 96.31 19 A 1 ATOM 151 O O . LEU A 1 19 ? -3.421 -5.565 -2.393 1.00 96.10 19 A 1 ATOM 152 C CB . LEU A 1 19 ? -4.354 -3.086 -0.942 1.00 96.29 19 A 1 ATOM 153 C CG . LEU A 1 19 ? -5.781 -3.501 -0.542 1.00 95.01 19 A 1 ATOM 154 C CD1 . LEU A 1 19 ? -5.962 -3.533 0.976 1.00 93.20 19 A 1 ATOM 155 C CD2 . LEU A 1 19 ? -6.787 -2.502 -1.112 1.00 93.42 19 A 1 ATOM 156 N N . VAL A 1 20 ? -3.582 -6.511 -0.372 1.00 96.53 20 A 1 ATOM 157 C CA . VAL A 1 20 ? -3.637 -7.901 -0.836 1.00 96.46 20 A 1 ATOM 158 C C . VAL A 1 20 ? -5.038 -8.461 -0.632 1.00 96.69 20 A 1 ATOM 159 O O . VAL A 1 20 ? -5.590 -8.388 0.466 1.00 96.55 20 A 1 ATOM 160 C CB . VAL A 1 20 ? -2.579 -8.766 -0.127 1.00 95.78 20 A 1 ATOM 161 C CG1 . VAL A 1 20 ? -2.582 -10.204 -0.658 1.00 93.78 20 A 1 ATOM 162 C CG2 . VAL A 1 20 ? -1.170 -8.191 -0.319 1.00 93.99 20 A 1 ATOM 163 N N . ASN A 1 21 ? -5.602 -9.071 -1.675 1.00 96.55 21 A 1 ATOM 164 C CA . ASN A 1 21 ? -6.798 -9.892 -1.538 1.00 96.19 21 A 1 ATOM 165 C C . ASN A 1 21 ? -6.419 -11.227 -0.883 1.00 95.51 21 A 1 ATOM 166 O O . ASN A 1 21 ? -5.657 -12.024 -1.426 1.00 94.44 21 A 1 ATOM 167 C CB . ASN A 1 21 ? -7.462 -10.064 -2.909 1.00 95.95 21 A 1 ATOM 168 C CG . ASN A 1 21 ? -8.805 -10.776 -2.821 1.00 95.24 21 A 1 ATOM 169 O OD1 . ASN A 1 21 ? -9.005 -11.753 -2.106 1.00 91.61 21 A 1 ATOM 170 N ND2 . ASN A 1 21 ? -9.793 -10.299 -3.541 1.00 90.53 21 A 1 ATOM 171 N N . THR A 1 22 ? -6.956 -11.509 0.293 1.00 94.98 22 A 1 ATOM 172 C CA . THR A 1 22 ? -6.577 -12.689 1.090 1.00 94.01 22 A 1 ATOM 173 C C . THR A 1 22 ? -7.053 -14.008 0.480 1.00 93.53 22 A 1 ATOM 174 O O . THR A 1 22 ? -6.501 -15.063 0.809 1.00 91.12 22 A 1 ATOM 175 C CB . THR A 1 22 ? -7.085 -12.572 2.531 1.00 93.13 22 A 1 ATOM 176 O OG1 . THR A 1 22 ? -8.485 -12.439 2.560 1.00 89.09 22 A 1 ATOM 177 C CG2 . THR A 1 22 ? -6.487 -11.365 3.255 1.00 87.46 22 A 1 ATOM 178 N N . LYS A 1 23 ? -8.046 -13.968 -0.429 1.00 94.58 23 A 1 ATOM 179 C CA . LYS A 1 23 ? -8.590 -15.140 -1.129 1.00 94.26 23 A 1 ATOM 180 C C . LYS A 1 23 ? -7.868 -15.397 -2.448 1.00 94.17 23 A 1 ATOM 181 O O . LYS A 1 23 ? -7.353 -16.492 -2.645 1.00 92.21 23 A 1 ATOM 182 C CB . LYS A 1 23 ? -10.098 -14.979 -1.361 1.00 93.70 23 A 1 ATOM 183 C CG . LYS A 1 23 ? -10.901 -14.936 -0.053 1.00 86.28 23 A 1 ATOM 184 C CD . LYS A 1 23 ? -12.399 -14.849 -0.368 1.00 80.53 23 A 1 ATOM 185 C CE . LYS A 1 23 ? -13.213 -14.860 0.925 1.00 72.55 23 A 1 ATOM 186 N NZ . LYS A 1 23 ? -14.667 -14.790 0.649 1.00 64.30 23 A 1 ATOM 187 N N . THR A 1 24 ? -7.818 -14.391 -3.334 1.00 94.09 24 A 1 ATOM 188 C CA . THR A 1 24 ? -7.247 -14.537 -4.686 1.00 93.78 24 A 1 ATOM 189 C C . THR A 1 24 ? -5.738 -14.311 -4.725 1.00 93.31 24 A 1 ATOM 190 O O . THR A 1 24 ? -5.091 -14.720 -5.678 1.00 91.65 24 A 1 ATOM 191 C CB . THR A 1 24 ? -7.925 -13.585 -5.688 1.00 93.64 24 A 1 ATOM 192 O OG1 . THR A 1 24 ? -7.704 -12.257 -5.293 1.00 92.13 24 A 1 ATOM 193 C CG2 . THR A 1 24 ? -9.439 -13.801 -5.759 1.00 90.94 24 A 1 ATOM 194 N N . LYS A 1 25 ? -5.155 -13.704 -3.687 1.00 93.10 25 A 1 ATOM 195 C CA . LYS A 1 25 ? -3.754 -13.258 -3.614 1.00 92.25 25 A 1 ATOM 196 C C . LYS A 1 25 ? -3.406 -12.122 -4.583 1.00 93.31 25 A 1 ATOM 197 O O . LYS A 1 25 ? -2.229 -11.812 -4.733 1.00 91.66 25 A 1 ATOM 198 C CB . LYS A 1 25 ? -2.776 -14.446 -3.704 1.00 90.38 25 A 1 ATOM 199 C CG . LYS A 1 25 ? -3.070 -15.602 -2.734 1.00 85.72 25 A 1 ATOM 200 C CD . LYS A 1 25 ? -3.043 -15.118 -1.280 1.00 77.30 25 A 1 ATOM 201 C CE . LYS A 1 25 ? -3.208 -16.295 -0.326 1.00 71.77 25 A 1 ATOM 202 N NZ . LYS A 1 25 ? -3.229 -15.835 1.079 1.00 63.30 25 A 1 ATOM 203 N N . ASP A 1 26 ? -4.410 -11.480 -5.184 1.00 93.57 26 A 1 ATOM 204 C CA . ASP A 1 26 ? -4.191 -10.288 -5.998 1.00 94.09 26 A 1 ATOM 205 C C . ASP A 1 26 ? -3.562 -9.184 -5.149 1.00 95.29 26 A 1 ATOM 206 O O . ASP A 1 26 ? -3.977 -8.938 -4.009 1.00 94.92 26 A 1 ATOM 207 C CB . ASP A 1 26 ? -5.500 -9.766 -6.609 1.00 92.80 26 A 1 ATOM 208 C CG . ASP A 1 26 ? -6.190 -10.784 -7.515 1.00 88.66 26 A 1 ATOM 209 O OD1 . ASP A 1 26 ? -5.482 -11.512 -8.241 1.00 85.37 26 A 1 ATOM 210 O OD2 . ASP A 1 26 ? -7.437 -10.870 -7.409 1.00 84.64 26 A 1 ATOM 211 N N . VAL A 1 27 ? -2.569 -8.498 -5.723 1.00 95.37 27 A 1 ATOM 212 C CA . VAL A 1 27 ? -1.851 -7.400 -5.077 1.00 96.00 27 A 1 ATOM 213 C C . VAL A 1 27 ? -2.177 -6.100 -5.794 1.00 96.25 27 A 1 ATOM 214 O O . VAL A 1 27 ? -2.082 -6.005 -7.015 1.00 95.65 27 A 1 ATOM 215 C CB . VAL A 1 27 ? -0.336 -7.652 -5.034 1.00 95.45 27 A 1 ATOM 216 C CG1 . VAL A 1 27 ? 0.385 -6.522 -4.287 1.00 93.39 27 A 1 ATOM 217 C CG2 . VAL A 1 27 ? 0.005 -8.968 -4.324 1.00 93.54 27 A 1 ATOM 218 N N . MET A 1 28 ? -2.524 -5.081 -5.026 1.00 95.80 28 A 1 ATOM 219 C CA . MET A 1 28 ? -2.711 -3.714 -5.494 1.00 95.73 28 A 1 ATOM 220 C C . MET A 1 28 ? -1.715 -2.783 -4.811 1.00 95.85 28 A 1 ATOM 221 O O . MET A 1 28 ? -1.433 -2.915 -3.617 1.00 95.39 28 A 1 ATOM 222 C CB . MET A 1 28 ? -4.152 -3.250 -5.247 1.00 95.32 28 A 1 ATOM 223 C CG . MET A 1 28 ? -5.180 -4.002 -6.094 1.00 92.78 28 A 1 ATOM 224 S SD . MET A 1 28 ? -6.907 -3.621 -5.652 1.00 89.23 28 A 1 ATOM 225 C CE . MET A 1 28 ? -7.065 -4.701 -4.210 1.00 77.95 28 A 1 ATOM 226 N N . LEU A 1 29 ? -1.218 -1.807 -5.570 1.00 94.74 29 A 1 ATOM 227 C CA . LEU A 1 29 ? -0.358 -0.728 -5.094 1.00 94.46 29 A 1 ATOM 228 C C . LEU A 1 29 ? -1.081 0.608 -5.234 1.00 93.55 29 A 1 ATOM 229 O O . LEU A 1 29 ? -1.991 0.758 -6.053 1.00 91.65 29 A 1 ATOM 230 C CB . LEU A 1 29 ? 0.973 -0.746 -5.861 1.00 94.06 29 A 1 ATOM 231 C CG . LEU A 1 29 ? 1.819 -2.013 -5.629 1.00 93.19 29 A 1 ATOM 232 C CD1 . LEU A 1 29 ? 3.088 -1.941 -6.478 1.00 91.83 29 A 1 ATOM 233 C CD2 . LEU A 1 29 ? 2.226 -2.175 -4.162 1.00 91.72 29 A 1 ATOM 234 N N . ALA A 1 30 ? -0.683 1.580 -4.413 1.00 92.50 30 A 1 ATOM 235 C CA . ALA A 1 30 ? -1.157 2.940 -4.574 1.00 91.60 30 A 1 ATOM 236 C C . ALA A 1 30 ? -0.517 3.553 -5.823 1.00 90.50 30 A 1 ATOM 237 O O . ALA A 1 30 ? 0.697 3.498 -5.997 1.00 87.74 30 A 1 ATOM 238 C CB . ALA A 1 30 ? -0.846 3.737 -3.309 1.00 90.56 30 A 1 ATOM 239 N N . ASP A 1 31 ? -1.336 4.162 -6.670 1.00 86.17 31 A 1 ATOM 240 C CA . ASP A 1 31 ? -0.885 4.915 -7.834 1.00 84.75 31 A 1 ATOM 241 C C . ASP A 1 31 ? -1.642 6.241 -7.917 1.00 83.24 31 A 1 ATOM 242 O O . ASP A 1 31 ? -2.792 6.351 -7.478 1.00 80.83 31 A 1 ATOM 243 C CB . ASP A 1 31 ? -1.046 4.060 -9.097 1.00 82.56 31 A 1 ATOM 244 C CG . ASP A 1 31 ? -0.423 4.695 -10.345 1.00 76.99 31 A 1 ATOM 245 O OD1 . ASP A 1 31 ? 0.413 5.610 -10.203 1.00 73.60 31 A 1 ATOM 246 O OD2 . ASP A 1 31 ? -0.854 4.305 -11.457 1.00 73.50 31 A 1 ATOM 247 N N . THR A 1 32 ? -0.980 7.258 -8.443 1.00 80.79 32 A 1 ATOM 248 C CA . THR A 1 32 ? -1.541 8.602 -8.542 1.00 77.24 32 A 1 ATOM 249 C C . THR A 1 32 ? -2.387 8.710 -9.800 1.00 75.13 32 A 1 ATOM 250 O O . THR A 1 32 ? -1.913 8.498 -10.914 1.00 71.13 32 A 1 ATOM 251 C CB . THR A 1 32 ? -0.451 9.679 -8.512 1.00 73.98 32 A 1 ATOM 252 O OG1 . THR A 1 32 ? 0.333 9.519 -7.350 1.00 67.04 32 A 1 ATOM 253 C CG2 . THR A 1 32 ? -1.040 11.087 -8.443 1.00 65.21 32 A 1 ATOM 254 N N . VAL A 1 33 ? -3.642 9.104 -9.629 1.00 71.63 33 A 1 ATOM 255 C CA . VAL A 1 33 ? -4.496 9.536 -10.734 1.00 69.42 33 A 1 ATOM 256 C C . VAL A 1 33 ? -4.640 11.048 -10.651 1.00 68.03 33 A 1 ATOM 257 O O . VAL A 1 33 ? -5.070 11.584 -9.627 1.00 64.97 33 A 1 ATOM 258 C CB . VAL A 1 33 ? -5.855 8.829 -10.723 1.00 66.03 33 A 1 ATOM 259 C CG1 . VAL A 1 33 ? -6.649 9.179 -11.981 1.00 59.11 33 A 1 ATOM 260 C CG2 . VAL A 1 33 ? -5.677 7.305 -10.730 1.00 60.84 33 A 1 ATOM 261 N N . ILE A 1 34 ? -4.262 11.726 -11.728 1.00 65.48 34 A 1 ATOM 262 C CA . ILE A 1 34 ? -4.370 13.180 -11.842 1.00 63.22 34 A 1 ATOM 263 C C . ILE A 1 34 ? -5.655 13.495 -12.609 1.00 61.35 34 A 1 ATOM 264 O O . ILE A 1 34 ? -5.767 13.191 -13.794 1.00 56.74 34 A 1 ATOM 265 C CB . ILE A 1 34 ? -3.110 13.790 -12.500 1.00 59.56 34 A 1 ATOM 266 C CG1 . ILE A 1 34 ? -1.826 13.380 -11.730 1.00 54.26 34 A 1 ATOM 267 C CG2 . ILE A 1 34 ? -3.248 15.322 -12.556 1.00 53.62 34 A 1 ATOM 268 C CD1 . ILE A 1 34 ? -0.522 13.839 -12.385 1.00 49.83 34 A 1 ATOM 269 N N . TYR A 1 35 ? -6.609 14.100 -11.939 1.00 61.10 35 A 1 ATOM 270 C CA . TYR A 1 35 ? -7.781 14.711 -12.566 1.00 60.23 35 A 1 ATOM 271 C C . TYR A 1 35 ? -7.780 16.199 -12.225 1.00 59.19 35 A 1 ATOM 272 O O . TYR A 1 35 ? -7.840 16.551 -11.048 1.00 55.06 35 A 1 ATOM 273 C CB . TYR A 1 35 ? -9.074 14.047 -12.077 1.00 56.03 35 A 1 ATOM 274 C CG . TYR A 1 35 ? -9.325 12.656 -12.628 1.00 51.98 35 A 1 ATOM 275 C CD1 . TYR A 1 35 ? -9.748 12.489 -13.963 1.00 48.82 35 A 1 ATOM 276 C CD2 . TYR A 1 35 ? -9.167 11.526 -11.806 1.00 47.75 35 A 1 ATOM 277 C CE1 . TYR A 1 35 ? -10.004 11.202 -14.474 1.00 43.01 35 A 1 ATOM 278 C CE2 . TYR A 1 35 ? -9.420 10.236 -12.313 1.00 44.38 35 A 1 ATOM 279 C CZ . TYR A 1 35 ? -9.838 10.073 -13.648 1.00 41.89 35 A 1 ATOM 280 O OH . TYR A 1 35 ? -10.079 8.821 -14.142 1.00 39.00 35 A 1 ATOM 281 N N . PHE A 1 36 ? -7.722 17.067 -13.241 1.00 58.34 36 A 1 ATOM 282 C CA . PHE A 1 36 ? -7.865 18.521 -13.093 1.00 58.39 36 A 1 ATOM 283 C C . PHE A 1 36 ? -7.097 19.102 -11.886 1.00 58.82 36 A 1 ATOM 284 O O . PHE A 1 36 ? -7.686 19.639 -10.955 1.00 54.93 36 A 1 ATOM 285 C CB . PHE A 1 36 ? -9.361 18.882 -13.068 1.00 54.56 36 A 1 ATOM 286 C CG . PHE A 1 36 ? -10.136 18.460 -14.302 1.00 49.83 36 A 1 ATOM 287 C CD1 . PHE A 1 36 ? -10.042 19.224 -15.482 1.00 46.76 36 A 1 ATOM 288 C CD2 . PHE A 1 36 ? -10.959 17.319 -14.275 1.00 45.94 36 A 1 ATOM 289 C CE1 . PHE A 1 36 ? -10.770 18.846 -16.628 1.00 40.81 36 A 1 ATOM 290 C CE2 . PHE A 1 36 ? -11.686 16.943 -15.421 1.00 41.95 36 A 1 ATOM 291 C CZ . PHE A 1 36 ? -11.593 17.708 -16.597 1.00 41.20 36 A 1 ATOM 292 N N . GLU A 1 37 ? -5.756 18.936 -11.888 1.00 54.38 37 A 1 ATOM 293 C CA . GLU A 1 37 ? -4.829 19.467 -10.871 1.00 55.53 37 A 1 ATOM 294 C C . GLU A 1 37 ? -4.936 18.857 -9.458 1.00 55.71 37 A 1 ATOM 295 O O . GLU A 1 37 ? -4.137 19.189 -8.581 1.00 52.16 37 A 1 ATOM 296 C CB . GLU A 1 37 ? -4.874 20.999 -10.817 1.00 52.21 37 A 1 ATOM 297 C CG . GLU A 1 37 ? -4.695 21.650 -12.198 1.00 46.36 37 A 1 ATOM 298 C CD . GLU A 1 37 ? -4.719 23.183 -12.129 1.00 43.06 37 A 1 ATOM 299 O OE1 . GLU A 1 37 ? -4.329 23.794 -13.148 1.00 40.87 37 A 1 ATOM 300 O OE2 . GLU A 1 37 ? -5.143 23.728 -11.082 1.00 43.97 37 A 1 ATOM 301 N N . ARG A 1 38 ? -5.843 17.917 -9.212 1.00 63.84 38 A 1 ATOM 302 C CA . ARG A 1 38 ? -5.887 17.164 -7.950 1.00 63.66 38 A 1 ATOM 303 C C . ARG A 1 38 ? -5.353 15.753 -8.168 1.00 64.77 38 A 1 ATOM 304 O O . ARG A 1 38 ? -5.994 14.934 -8.825 1.00 59.18 38 A 1 ATOM 305 C CB . ARG A 1 38 ? -7.296 17.183 -7.341 1.00 59.33 38 A 1 ATOM 306 C CG . ARG A 1 38 ? -7.677 18.598 -6.878 1.00 52.70 38 A 1 ATOM 307 C CD . ARG A 1 38 ? -9.033 18.591 -6.172 1.00 48.85 38 A 1 ATOM 308 N NE . ARG A 1 38 ? -9.415 19.946 -5.745 1.00 44.93 38 A 1 ATOM 309 C CZ . ARG A 1 38 ? -10.531 20.290 -5.113 1.00 40.16 38 A 1 ATOM 310 N NH1 . ARG A 1 38 ? -11.429 19.404 -4.782 1.00 38.13 38 A 1 ATOM 311 N NH2 . ARG A 1 38 ? -10.755 21.541 -4.811 1.00 36.33 38 A 1 ATOM 312 N N . GLY A 1 39 ? -4.198 15.471 -7.579 1.00 65.57 39 A 1 ATOM 313 C CA . GLY A 1 39 ? -3.654 14.124 -7.469 1.00 66.15 39 A 1 ATOM 314 C C . GLY A 1 39 ? -4.273 13.388 -6.286 1.00 69.22 39 A 1 ATOM 315 O O . GLY A 1 39 ? -4.126 13.819 -5.145 1.00 65.09 39 A 1 ATOM 316 N N . ASN A 1 40 ? -4.943 12.265 -6.544 1.00 78.13 40 A 1 ATOM 317 C CA . ASN A 1 40 ? -5.392 11.346 -5.505 1.00 79.76 40 A 1 ATOM 318 C C . ASN A 1 40 ? -4.743 9.983 -5.718 1.00 82.37 40 A 1 ATOM 319 O O . ASN A 1 40 ? -4.649 9.496 -6.849 1.00 79.97 40 A 1 ATOM 320 C CB . ASN A 1 40 ? -6.925 11.251 -5.502 1.00 74.85 40 A 1 ATOM 321 C CG . ASN A 1 40 ? -7.596 12.483 -4.918 1.00 67.03 40 A 1 ATOM 322 O OD1 . ASN A 1 40 ? -7.216 13.012 -3.889 1.00 60.22 40 A 1 ATOM 323 N ND2 . ASN A 1 40 ? -8.660 12.952 -5.528 1.00 60.35 40 A 1 ATOM 324 N N . LEU A 1 41 ? -4.329 9.346 -4.622 1.00 83.21 41 A 1 ATOM 325 C CA . LEU A 1 41 ? -3.880 7.964 -4.665 1.00 85.50 41 A 1 ATOM 326 C C . LEU A 1 41 ? -5.093 7.034 -4.744 1.00 87.02 41 A 1 ATOM 327 O O . LEU A 1 41 ? -6.045 7.164 -3.969 1.00 85.95 41 A 1 ATOM 328 C CB . LEU A 1 41 ? -2.998 7.640 -3.451 1.00 84.12 41 A 1 ATOM 329 C CG . LEU A 1 41 ? -1.654 8.386 -3.408 1.00 80.57 41 A 1 ATOM 330 C CD1 . LEU A 1 41 ? -0.937 8.070 -2.095 1.00 78.10 41 A 1 ATOM 331 C CD2 . LEU A 1 41 ? -0.730 7.986 -4.559 1.00 77.69 41 A 1 ATOM 332 N N . VAL A 1 42 ? -5.024 6.060 -5.664 1.00 88.58 42 A 1 ATOM 333 C CA . VAL A 1 42 ? -6.008 4.988 -5.833 1.00 89.15 42 A 1 ATOM 334 C C . VAL A 1 42 ? -5.304 3.639 -5.852 1.00 90.69 42 A 1 ATOM 335 O O . VAL A 1 42 ? -4.136 3.545 -6.226 1.00 90.28 42 A 1 ATOM 336 C CB . VAL A 1 42 ? -6.863 5.171 -7.102 1.00 87.07 42 A 1 ATOM 337 C CG1 . VAL A 1 42 ? -7.657 6.482 -7.056 1.00 80.07 42 A 1 ATOM 338 C CG2 . VAL A 1 42 ? -6.044 5.108 -8.396 1.00 80.83 42 A 1 ATOM 339 N N . TRP A 1 43 ? -6.004 2.577 -5.461 1.00 92.17 43 A 1 ATOM 340 C CA . TRP A 1 43 ? -5.484 1.218 -5.588 1.00 93.15 43 A 1 ATOM 341 C C . TRP A 1 43 ? -5.572 0.758 -7.042 1.00 92.87 43 A 1 ATOM 342 O O . TRP A 1 43 ? -6.655 0.751 -7.621 1.00 91.62 43 A 1 ATOM 343 C CB . TRP A 1 43 ? -6.251 0.280 -4.654 1.00 93.53 43 A 1 ATOM 344 C CG . TRP A 1 43 ? -6.073 0.580 -3.193 1.00 93.98 43 A 1 ATOM 345 C CD1 . TRP A 1 43 ? -7.046 0.955 -2.338 1.00 93.25 43 A 1 ATOM 346 C CD2 . TRP A 1 43 ? -4.837 0.553 -2.416 1.00 94.73 43 A 1 ATOM 347 N NE1 . TRP A 1 43 ? -6.509 1.158 -1.081 1.00 93.53 43 A 1 ATOM 348 C CE2 . TRP A 1 43 ? -5.149 0.929 -1.080 1.00 94.28 43 A 1 ATOM 349 C CE3 . TRP A 1 43 ? -3.490 0.247 -2.717 1.00 94.18 43 A 1 ATOM 350 C CZ2 . TRP A 1 43 ? -4.163 1.011 -0.076 1.00 93.80 43 A 1 ATOM 351 C CZ3 . TRP A 1 43 ? -2.503 0.329 -1.714 1.00 94.23 43 A 1 ATOM 352 C CH2 . TRP A 1 43 ? -2.833 0.709 -0.409 1.00 94.01 43 A 1 ATOM 353 N N . LYS A 1 44 ? -4.443 0.336 -7.614 1.00 92.76 44 A 1 ATOM 354 C CA . LYS A 1 44 ? -4.364 -0.305 -8.933 1.00 92.48 44 A 1 ATOM 355 C C . LYS A 1 44 ? -3.687 -1.669 -8.816 1.00 93.66 44 A 1 ATOM 356 O O . LYS A 1 44 ? -2.813 -1.832 -7.964 1.00 93.84 44 A 1 ATOM 357 C CB . LYS A 1 44 ? -3.605 0.586 -9.920 1.00 90.68 44 A 1 ATOM 358 C CG . LYS A 1 44 ? -4.363 1.878 -10.269 1.00 83.96 44 A 1 ATOM 359 C CD . LYS A 1 44 ? -3.663 2.549 -11.449 1.00 79.15 44 A 1 ATOM 360 C CE . LYS A 1 44 ? -4.158 3.971 -11.706 1.00 72.66 44 A 1 ATOM 361 N NZ . LYS A 1 44 ? -3.200 4.700 -12.577 1.00 65.28 44 A 1 ATOM 362 N N . PRO A 1 45 ? -4.056 -2.652 -9.665 1.00 94.26 45 A 1 ATOM 363 C CA . PRO A 1 45 ? -3.349 -3.924 -9.732 1.00 94.47 45 A 1 ATOM 364 C C . PRO A 1 45 ? -1.845 -3.708 -9.935 1.00 94.74 45 A 1 ATOM 365 O O . PRO A 1 45 ? -1.441 -2.899 -10.772 1.00 93.70 45 A 1 ATOM 366 C CB . PRO A 1 45 ? -3.978 -4.696 -10.898 1.00 93.70 45 A 1 ATOM 367 C CG . PRO A 1 45 ? -5.375 -4.094 -11.012 1.00 91.82 45 A 1 ATOM 368 C CD . PRO A 1 45 ? -5.149 -2.631 -10.639 1.00 93.93 45 A 1 ATOM 369 N N . ALA A 1 46 ? -1.014 -4.429 -9.178 1.00 94.28 46 A 1 ATOM 370 C CA . ALA A 1 46 ? 0.426 -4.410 -9.366 1.00 94.23 46 A 1 ATOM 371 C C . ALA A 1 46 ? 0.787 -5.058 -10.711 1.00 94.13 46 A 1 ATOM 372 O O . ALA A 1 46 ? 0.245 -6.107 -11.058 1.00 93.24 46 A 1 ATOM 373 C CB . ALA A 1 46 ? 1.099 -5.124 -8.184 1.00 93.84 46 A 1 ATOM 374 N N . ALA A 1 47 ? 1.738 -4.473 -11.442 1.00 93.62 47 A 1 ATOM 375 C CA . ALA A 1 47 ? 2.241 -5.057 -12.691 1.00 92.58 47 A 1 ATOM 376 C C . ALA A 1 47 ? 2.982 -6.384 -12.441 1.00 92.81 47 A 1 ATOM 377 O O . ALA A 1 47 ? 2.899 -7.305 -13.246 1.00 90.84 47 A 1 ATOM 378 C CB . ALA A 1 47 ? 3.148 -4.024 -13.375 1.00 91.67 47 A 1 ATOM 379 N N . HIS A 1 48 ? 3.668 -6.485 -11.300 1.00 93.52 48 A 1 ATOM 380 C CA . HIS A 1 48 ? 4.446 -7.649 -10.878 1.00 93.77 48 A 1 ATOM 381 C C . HIS A 1 48 ? 4.104 -8.034 -9.429 1.00 94.28 48 A 1 ATOM 382 O O . HIS A 1 48 ? 4.882 -7.774 -8.504 1.00 93.45 48 A 1 ATOM 383 C CB . HIS A 1 48 ? 5.936 -7.338 -11.073 1.00 93.07 48 A 1 ATOM 384 C CG . HIS A 1 48 ? 6.294 -7.090 -12.512 1.00 90.60 48 A 1 ATOM 385 N ND1 . HIS A 1 48 ? 6.203 -8.006 -13.534 1.00 82.05 48 A 1 ATOM 386 C CD2 . HIS A 1 48 ? 6.723 -5.910 -13.070 1.00 81.97 48 A 1 ATOM 387 C CE1 . HIS A 1 48 ? 6.565 -7.400 -14.670 1.00 83.13 48 A 1 ATOM 388 N NE2 . HIS A 1 48 ? 6.898 -6.115 -14.436 1.00 84.07 48 A 1 ATOM 389 N N . PRO A 1 49 ? 2.916 -8.627 -9.194 1.00 94.60 49 A 1 ATOM 390 C CA . PRO A 1 49 ? 2.450 -8.956 -7.845 1.00 94.52 49 A 1 ATOM 391 C C . PRO A 1 49 ? 3.379 -9.929 -7.112 1.00 94.53 49 A 1 ATOM 392 O O . PRO A 1 49 ? 3.536 -9.830 -5.895 1.00 93.63 49 A 1 ATOM 393 C CB . PRO A 1 49 ? 1.051 -9.550 -8.051 1.00 93.84 49 A 1 ATOM 394 C CG . PRO A 1 49 ? 1.061 -10.074 -9.483 1.00 92.35 49 A 1 ATOM 395 C CD . PRO A 1 49 ? 1.946 -9.064 -10.192 1.00 94.43 49 A 1 ATOM 396 N N . GLU A 1 50 ? 4.050 -10.816 -7.843 1.00 94.22 50 A 1 ATOM 397 C CA . GLU A 1 50 ? 4.999 -11.786 -7.307 1.00 93.66 50 A 1 ATOM 398 C C . GLU A 1 50 ? 6.207 -11.120 -6.632 1.00 93.55 50 A 1 ATOM 399 O O . GLU A 1 50 ? 6.630 -11.553 -5.560 1.00 92.75 50 A 1 ATOM 400 C CB . GLU A 1 50 ? 5.429 -12.770 -8.417 1.00 92.93 50 A 1 ATOM 401 C CG . GLU A 1 50 ? 6.247 -12.224 -9.603 1.00 83.25 50 A 1 ATOM 402 C CD . GLU A 1 50 ? 5.490 -11.373 -10.637 1.00 77.67 50 A 1 ATOM 403 O OE1 . GLU A 1 50 ? 6.153 -10.874 -11.575 1.00 69.84 50 A 1 ATOM 404 O OE2 . GLU A 1 50 ? 4.266 -11.178 -10.488 1.00 71.24 50 A 1 ATOM 405 N N . TYR A 1 51 ? 6.727 -10.020 -7.194 1.00 93.11 51 A 1 ATOM 406 C CA . TYR A 1 51 ? 7.854 -9.289 -6.605 1.00 92.79 51 A 1 ATOM 407 C C . TYR A 1 51 ? 7.443 -8.501 -5.363 1.00 93.32 51 A 1 ATOM 408 O O . TYR A 1 51 ? 8.205 -8.448 -4.395 1.00 92.56 51 A 1 ATOM 409 C CB . TYR A 1 51 ? 8.486 -8.351 -7.636 1.00 91.65 51 A 1 ATOM 410 C CG . TYR A 1 51 ? 9.094 -9.038 -8.841 1.00 87.30 51 A 1 ATOM 411 C CD1 . TYR A 1 51 ? 9.874 -10.204 -8.693 1.00 82.53 51 A 1 ATOM 412 C CD2 . TYR A 1 51 ? 8.898 -8.497 -10.127 1.00 81.27 51 A 1 ATOM 413 C CE1 . TYR A 1 51 ? 10.434 -10.834 -9.819 1.00 78.16 51 A 1 ATOM 414 C CE2 . TYR A 1 51 ? 9.456 -9.121 -11.256 1.00 77.47 51 A 1 ATOM 415 C CZ . TYR A 1 51 ? 10.220 -10.294 -11.101 1.00 76.42 51 A 1 ATOM 416 O OH . TYR A 1 51 ? 10.747 -10.915 -12.199 1.00 73.50 51 A 1 ATOM 417 N N . VAL A 1 52 ? 6.241 -7.937 -5.358 1.00 94.15 52 A 1 ATOM 418 C CA . VAL A 1 52 ? 5.687 -7.249 -4.185 1.00 94.37 52 A 1 ATOM 419 C C . VAL A 1 52 ? 5.471 -8.245 -3.051 1.00 94.46 52 A 1 ATOM 420 O O . VAL A 1 52 ? 5.892 -8.000 -1.921 1.00 93.93 52 A 1 ATOM 421 C CB . VAL A 1 52 ? 4.372 -6.526 -4.531 1.00 94.29 52 A 1 ATOM 422 C CG1 . VAL A 1 52 ? 3.812 -5.787 -3.307 1.00 93.17 52 A 1 ATOM 423 C CG2 . VAL A 1 52 ? 4.581 -5.500 -5.650 1.00 93.21 52 A 1 ATOM 424 N N . TRP A 1 53 ? 4.880 -9.406 -3.357 1.00 93.71 53 A 1 ATOM 425 C CA . TRP A 1 53 ? 4.668 -10.452 -2.365 1.00 93.09 53 A 1 ATOM 426 C C . TRP A 1 53 ? 5.989 -10.968 -1.796 1.00 93.44 53 A 1 ATOM 427 O O . TRP A 1 53 ? 6.130 -11.069 -0.581 1.00 92.57 53 A 1 ATOM 428 C CB . TRP A 1 53 ? 3.841 -11.585 -2.976 1.00 91.60 53 A 1 ATOM 429 C CG . TRP A 1 53 ? 3.398 -12.581 -1.952 1.00 86.25 53 A 1 ATOM 430 C CD1 . TRP A 1 53 ? 3.816 -13.864 -1.857 1.00 79.15 53 A 1 ATOM 431 C CD2 . TRP A 1 53 ? 2.493 -12.365 -0.822 1.00 83.76 53 A 1 ATOM 432 N NE1 . TRP A 1 53 ? 3.227 -14.462 -0.753 1.00 76.21 53 A 1 ATOM 433 C CE2 . TRP A 1 53 ? 2.410 -13.573 -0.080 1.00 80.75 53 A 1 ATOM 434 C CE3 . TRP A 1 53 ? 1.744 -11.261 -0.357 1.00 73.84 53 A 1 ATOM 435 C CZ2 . TRP A 1 53 ? 1.626 -13.689 1.086 1.00 76.13 53 A 1 ATOM 436 C CZ3 . TRP A 1 53 ? 0.958 -11.372 0.808 1.00 72.61 53 A 1 ATOM 437 C CH2 . TRP A 1 53 ? 0.901 -12.576 1.525 1.00 74.46 53 A 1 ATOM 438 N N . LEU A 1 54 ? 6.990 -11.222 -2.649 1.00 93.61 54 A 1 ATOM 439 C CA . LEU A 1 54 ? 8.324 -11.627 -2.213 1.00 93.67 54 A 1 ATOM 440 C C . LEU A 1 54 ? 8.983 -10.569 -1.311 1.00 94.12 54 A 1 ATOM 441 O O . LEU A 1 54 ? 9.584 -10.927 -0.301 1.00 94.18 54 A 1 ATOM 442 C CB . LEU A 1 54 ? 9.182 -11.923 -3.456 1.00 93.44 54 A 1 ATOM 443 C CG . LEU A 1 54 ? 10.594 -12.449 -3.131 1.00 84.23 54 A 1 ATOM 444 C CD1 . LEU A 1 54 ? 10.558 -13.803 -2.412 1.00 82.13 54 A 1 ATOM 445 C CD2 . LEU A 1 54 ? 11.385 -12.612 -4.429 1.00 81.81 54 A 1 ATOM 446 N N . ALA A 1 55 ? 8.849 -9.285 -1.632 1.00 94.31 55 A 1 ATOM 447 C CA . ALA A 1 55 ? 9.371 -8.204 -0.795 1.00 94.11 55 A 1 ATOM 448 C C . ALA A 1 55 ? 8.704 -8.186 0.590 1.00 94.73 55 A 1 ATOM 449 O O . ALA A 1 55 ? 9.407 -8.082 1.591 1.00 94.40 55 A 1 ATOM 450 C CB . ALA A 1 55 ? 9.203 -6.866 -1.528 1.00 93.49 55 A 1 ATOM 451 N N . ILE A 1 56 ? 7.385 -8.375 0.657 1.00 95.02 56 A 1 ATOM 452 C CA . ILE A 1 56 ? 6.650 -8.492 1.927 1.00 95.12 56 A 1 ATOM 453 C C . ILE A 1 56 ? 7.166 -9.688 2.737 1.00 95.21 56 A 1 ATOM 454 O O . ILE A 1 56 ? 7.464 -9.539 3.916 1.00 94.72 56 A 1 ATOM 455 C CB . ILE A 1 56 ? 5.127 -8.607 1.676 1.00 95.24 56 A 1 ATOM 456 C CG1 . ILE A 1 56 ? 4.563 -7.299 1.074 1.00 94.80 56 A 1 ATOM 457 C CG2 . ILE A 1 56 ? 4.362 -8.941 2.974 1.00 94.52 56 A 1 ATOM 458 C CD1 . ILE A 1 56 ? 3.167 -7.462 0.454 1.00 93.38 56 A 1 ATOM 459 N N . GLN A 1 57 ? 7.312 -10.860 2.118 1.00 94.34 57 A 1 ATOM 460 C CA . GLN A 1 57 ? 7.755 -12.072 2.823 1.00 93.70 57 A 1 ATOM 461 C C . GLN A 1 57 ? 9.211 -11.981 3.309 1.00 94.17 57 A 1 ATOM 462 O O . GLN A 1 57 ? 9.553 -12.567 4.337 1.00 93.37 57 A 1 ATOM 463 C CB . GLN A 1 57 ? 7.580 -13.298 1.914 1.00 92.65 57 A 1 ATOM 464 C CG . GLN A 1 57 ? 6.112 -13.635 1.590 1.00 88.46 57 A 1 ATOM 465 C CD . GLN A 1 57 ? 5.270 -13.883 2.843 1.00 82.07 57 A 1 ATOM 466 O OE1 . GLN A 1 57 ? 5.537 -14.765 3.634 1.00 74.68 57 A 1 ATOM 467 N NE2 . GLN A 1 57 ? 4.230 -13.111 3.066 1.00 71.37 57 A 1 ATOM 468 N N . ASN A 1 58 ? 10.069 -11.255 2.594 1.00 93.99 58 A 1 ATOM 469 C CA . ASN A 1 58 ? 11.470 -11.058 2.975 1.00 94.03 58 A 1 ATOM 470 C C . ASN A 1 58 ? 11.649 -10.015 4.083 1.00 94.68 58 A 1 ATOM 471 O O . ASN A 1 58 ? 12.665 -10.043 4.785 1.00 93.75 58 A 1 ATOM 472 C CB . ASN A 1 58 ? 12.277 -10.678 1.724 1.00 93.29 58 A 1 ATOM 473 C CG . ASN A 1 58 ? 12.508 -11.852 0.781 1.00 88.94 58 A 1 ATOM 474 O OD1 . ASN A 1 58 ? 12.429 -13.019 1.124 1.00 81.38 58 A 1 ATOM 475 N ND2 . ASN A 1 58 ? 12.868 -11.569 -0.453 1.00 80.38 58 A 1 ATOM 476 N N . ASP A 1 59 ? 10.691 -9.112 4.269 1.00 94.57 59 A 1 ATOM 477 C CA . ASP A 1 59 ? 10.726 -8.152 5.370 1.00 94.96 59 A 1 ATOM 478 C C . ASP A 1 59 ? 10.236 -8.804 6.671 1.00 94.85 59 A 1 ATOM 479 O O . ASP A 1 59 ? 9.045 -9.011 6.896 1.00 93.80 59 A 1 ATOM 480 C CB . ASP A 1 59 ? 9.934 -6.883 5.030 1.00 94.56 59 A 1 ATOM 481 C CG . ASP A 1 59 ? 9.917 -5.897 6.208 1.00 93.67 59 A 1 ATOM 482 O OD1 . ASP A 1 59 ? 10.755 -6.036 7.134 1.00 90.39 59 A 1 ATOM 483 O OD2 . ASP A 1 59 ? 9.031 -5.014 6.215 1.00 90.34 59 A 1 ATOM 484 N N . LYS A 1 60 ? 11.164 -9.073 7.583 1.00 94.33 60 A 1 ATOM 485 C CA . LYS A 1 60 ? 10.869 -9.659 8.902 1.00 93.78 60 A 1 ATOM 486 C C . LYS A 1 60 ? 9.959 -8.784 9.770 1.00 94.08 60 A 1 ATOM 487 O O . LYS A 1 60 ? 9.411 -9.270 10.754 1.00 91.87 60 A 1 ATOM 488 C CB . LYS A 1 60 ? 12.178 -9.940 9.652 1.00 92.82 60 A 1 ATOM 489 C CG . LYS A 1 60 ? 13.047 -10.986 8.937 1.00 84.60 60 A 1 ATOM 490 C CD . LYS A 1 60 ? 14.311 -11.257 9.758 1.00 77.95 60 A 1 ATOM 491 C CE . LYS A 1 60 ? 15.183 -12.282 9.040 1.00 68.92 60 A 1 ATOM 492 N NZ . LYS A 1 60 ? 16.442 -12.547 9.785 1.00 61.27 60 A 1 ATOM 493 N N . HIS A 1 61 ? 9.822 -7.515 9.437 1.00 94.07 61 A 1 ATOM 494 C CA . HIS A 1 61 ? 9.034 -6.536 10.184 1.00 94.00 61 A 1 ATOM 495 C C . HIS A 1 61 ? 7.722 -6.163 9.488 1.00 94.97 61 A 1 ATOM 496 O O . HIS A 1 61 ? 7.026 -5.253 9.952 1.00 93.22 61 A 1 ATOM 497 C CB . HIS A 1 61 ? 9.905 -5.314 10.486 1.00 92.52 61 A 1 ATOM 498 C CG . HIS A 1 61 ? 11.128 -5.664 11.294 1.00 88.89 61 A 1 ATOM 499 N ND1 . HIS A 1 61 ? 11.130 -6.145 12.586 1.00 78.43 61 A 1 ATOM 500 C CD2 . HIS A 1 61 ? 12.436 -5.607 10.889 1.00 76.52 61 A 1 ATOM 501 C CE1 . HIS A 1 61 ? 12.400 -6.363 12.953 1.00 78.58 61 A 1 ATOM 502 N NE2 . HIS A 1 61 ? 13.234 -6.051 11.947 1.00 78.83 61 A 1 ATOM 503 N N . HIS A 1 62 ? 7.355 -6.880 8.404 1.00 96.08 62 A 1 ATOM 504 C CA . HIS A 1 62 ? 6.078 -6.636 7.744 1.00 96.37 62 A 1 ATOM 505 C C . HIS A 1 62 ? 4.915 -6.846 8.720 1.00 96.70 62 A 1 ATOM 506 O O . HIS A 1 62 ? 4.952 -7.694 9.617 1.00 95.84 62 A 1 ATOM 507 C CB . HIS A 1 62 ? 5.910 -7.498 6.483 1.00 95.53 62 A 1 ATOM 508 C CG . HIS A 1 62 ? 5.566 -8.941 6.747 1.00 94.45 62 A 1 ATOM 509 N ND1 . HIS A 1 62 ? 6.461 -9.985 6.817 1.00 86.53 62 A 1 ATOM 510 C CD2 . HIS A 1 62 ? 4.319 -9.479 6.959 1.00 86.11 62 A 1 ATOM 511 C CE1 . HIS A 1 62 ? 5.777 -11.117 7.063 1.00 87.45 62 A 1 ATOM 512 N NE2 . HIS A 1 62 ? 4.465 -10.853 7.158 1.00 88.77 62 A 1 ATOM 513 N N . LYS A 1 63 ? 3.847 -6.070 8.546 1.00 96.61 63 A 1 ATOM 514 C CA . LYS A 1 63 ? 2.656 -6.169 9.383 1.00 96.68 63 A 1 ATOM 515 C C . LYS A 1 63 ? 1.402 -5.796 8.610 1.00 96.95 63 A 1 ATOM 516 O O . LYS A 1 63 ? 1.439 -4.964 7.705 1.00 96.53 63 A 1 ATOM 517 C CB . LYS A 1 63 ? 2.827 -5.317 10.655 1.00 95.45 63 A 1 ATOM 518 C CG . LYS A 1 63 ? 2.994 -3.818 10.371 1.00 88.73 63 A 1 ATOM 519 C CD . LYS A 1 63 ? 3.321 -3.043 11.656 1.00 87.92 63 A 1 ATOM 520 C CE . LYS A 1 63 ? 3.542 -1.576 11.294 1.00 78.48 63 A 1 ATOM 521 N NZ . LYS A 1 63 ? 4.020 -0.779 12.452 1.00 72.36 63 A 1 ATOM 522 N N . ILE A 1 64 ? 0.278 -6.366 9.022 1.00 96.17 64 A 1 ATOM 523 C CA . ILE A 1 64 ? -1.039 -5.927 8.562 1.00 96.19 64 A 1 ATOM 524 C C . ILE A 1 64 ? -1.453 -4.721 9.405 1.00 96.02 64 A 1 ATOM 525 O O . ILE A 1 64 ? -1.541 -4.812 10.626 1.00 95.30 64 A 1 ATOM 526 C CB . ILE A 1 64 ? -2.062 -7.078 8.618 1.00 95.94 64 A 1 ATOM 527 C CG1 . ILE A 1 64 ? -1.623 -8.228 7.679 1.00 95.02 64 A 1 ATOM 528 C CG2 . ILE A 1 64 ? -3.457 -6.561 8.223 1.00 94.55 64 A 1 ATOM 529 C CD1 . ILE A 1 64 ? -2.447 -9.507 7.833 1.00 91.85 64 A 1 ATOM 530 N N . VAL A 1 65 ? -1.701 -3.589 8.755 1.00 96.21 65 A 1 ATOM 531 C CA . VAL A 1 65 ? -2.076 -2.324 9.419 1.00 95.80 65 A 1 ATOM 532 C C . VAL A 1 65 ? -3.561 -1.992 9.284 1.00 95.99 65 A 1 ATOM 533 O O . VAL A 1 65 ? -4.075 -1.163 10.028 1.00 95.20 65 A 1 ATOM 534 C CB . VAL A 1 65 ? -1.201 -1.145 8.944 1.00 94.97 65 A 1 ATOM 535 C CG1 . VAL A 1 65 ? 0.269 -1.376 9.314 1.00 90.30 65 A 1 ATOM 536 C CG2 . VAL A 1 65 ? -1.292 -0.894 7.435 1.00 90.24 65 A 1 ATOM 537 N N . ALA A 1 66 ? -4.269 -2.638 8.355 1.00 95.92 66 A 1 ATOM 538 C CA . ALA A 1 66 ? -5.718 -2.531 8.206 1.00 95.89 66 A 1 ATOM 539 C C . ALA A 1 66 ? -6.287 -3.766 7.495 1.00 96.30 66 A 1 ATOM 540 O O . ALA A 1 66 ? -5.593 -4.434 6.734 1.00 96.24 66 A 1 ATOM 541 C CB . ALA A 1 66 ? -6.054 -1.249 7.427 1.00 95.15 66 A 1 ATOM 542 N N . MET A 1 67 ? -7.574 -4.037 7.702 1.00 95.82 67 A 1 ATOM 543 C CA . MET A 1 67 ? -8.326 -5.055 6.963 1.00 96.00 67 A 1 ATOM 544 C C . MET A 1 67 ? -9.695 -4.514 6.557 1.00 95.99 67 A 1 ATOM 545 O O . MET A 1 67 ? -10.292 -3.717 7.283 1.00 95.38 67 A 1 ATOM 546 C CB . MET A 1 67 ? -8.482 -6.341 7.786 1.00 95.40 67 A 1 ATOM 547 C CG . MET A 1 67 ? -7.154 -7.024 8.115 1.00 90.93 67 A 1 ATOM 548 S SD . MET A 1 67 ? -7.343 -8.642 8.917 1.00 86.21 67 A 1 ATOM 549 C CE . MET A 1 67 ? -7.792 -9.672 7.489 1.00 73.71 67 A 1 ATOM 550 N N . ALA A 1 68 ? -10.224 -4.979 5.417 1.00 96.46 68 A 1 ATOM 551 C CA . ALA A 1 68 ? -11.542 -4.577 4.930 1.00 96.22 68 A 1 ATOM 552 C C . ALA A 1 68 ? -12.226 -5.687 4.117 1.00 96.35 68 A 1 ATOM 553 O O . ALA A 1 68 ? -11.630 -6.700 3.753 1.00 95.74 68 A 1 ATOM 554 C CB . ALA A 1 68 ? -11.402 -3.288 4.112 1.00 95.35 68 A 1 ATOM 555 N N . THR A 1 69 ? -13.517 -5.482 3.824 1.00 95.56 69 A 1 ATOM 556 C CA . THR A 1 69 ? -14.283 -6.337 2.902 1.00 94.98 69 A 1 ATOM 557 C C . THR A 1 69 ? -14.172 -5.875 1.449 1.00 94.69 69 A 1 ATOM 558 O O . THR A 1 69 ? -14.315 -6.694 0.543 1.00 93.31 69 A 1 ATOM 559 C CB . THR A 1 69 ? -15.758 -6.383 3.319 1.00 94.54 69 A 1 ATOM 560 O OG1 . THR A 1 69 ? -16.239 -5.072 3.500 1.00 89.88 69 A 1 ATOM 561 C CG2 . THR A 1 69 ? -15.945 -7.121 4.646 1.00 88.15 69 A 1 ATOM 562 N N . HIS A 1 70 ? -13.869 -4.590 1.217 1.00 93.43 70 A 1 ATOM 563 C CA . HIS A 1 70 ? -13.730 -3.979 -0.106 1.00 92.66 70 A 1 ATOM 564 C C . HIS A 1 70 ? -12.538 -3.005 -0.139 1.00 93.19 70 A 1 ATOM 565 O O . HIS A 1 70 ? -12.328 -2.300 0.849 1.00 91.98 70 A 1 ATOM 566 C CB . HIS A 1 70 ? -15.044 -3.262 -0.452 1.00 90.27 70 A 1 ATOM 567 C CG . HIS A 1 70 ? -15.164 -2.960 -1.919 1.00 84.70 70 A 1 ATOM 568 N ND1 . HIS A 1 70 ? -14.753 -1.822 -2.568 1.00 74.98 70 A 1 ATOM 569 C CD2 . HIS A 1 70 ? -15.632 -3.821 -2.879 1.00 74.08 70 A 1 ATOM 570 C CE1 . HIS A 1 70 ? -14.968 -1.992 -3.887 1.00 74.83 70 A 1 ATOM 571 N NE2 . HIS A 1 70 ? -15.496 -3.198 -4.116 1.00 75.60 70 A 1 ATOM 572 N N . PRO A 1 71 ? -11.766 -2.919 -1.249 1.00 93.00 71 A 1 ATOM 573 C CA . PRO A 1 71 ? -10.593 -2.041 -1.341 1.00 91.86 71 A 1 ATOM 574 C C . PRO A 1 71 ? -10.919 -0.564 -1.096 1.00 92.00 71 A 1 ATOM 575 O O . PRO A 1 71 ? -10.129 0.134 -0.467 1.00 89.85 71 A 1 ATOM 576 C CB . PRO A 1 71 ? -10.019 -2.271 -2.746 1.00 90.43 71 A 1 ATOM 577 C CG . PRO A 1 71 ? -11.186 -2.843 -3.547 1.00 89.15 71 A 1 ATOM 578 C CD . PRO A 1 71 ? -11.932 -3.654 -2.500 1.00 92.24 71 A 1 ATOM 579 N N . HIS A 1 72 ? -12.096 -0.099 -1.497 1.00 90.46 72 A 1 ATOM 580 C CA . HIS A 1 72 ? -12.516 1.299 -1.300 1.00 89.14 72 A 1 ATOM 581 C C . HIS A 1 72 ? -12.655 1.722 0.173 1.00 90.39 72 A 1 ATOM 582 O O . HIS A 1 72 ? -12.678 2.915 0.457 1.00 87.98 72 A 1 ATOM 583 C CB . HIS A 1 72 ? -13.849 1.547 -2.024 1.00 85.61 72 A 1 ATOM 584 C CG . HIS A 1 72 ? -13.823 1.379 -3.520 1.00 76.94 72 A 1 ATOM 585 N ND1 . HIS A 1 72 ? -14.929 1.457 -4.350 1.00 67.22 72 A 1 ATOM 586 C CD2 . HIS A 1 72 ? -12.744 1.156 -4.338 1.00 66.08 72 A 1 ATOM 587 C CE1 . HIS A 1 72 ? -14.523 1.284 -5.608 1.00 62.43 72 A 1 ATOM 588 N NE2 . HIS A 1 72 ? -13.199 1.092 -5.649 1.00 63.94 72 A 1 ATOM 589 N N . PHE A 1 73 ? -12.729 0.772 1.113 1.00 90.88 73 A 1 ATOM 590 C CA . PHE A 1 73 ? -12.760 1.095 2.543 1.00 91.59 73 A 1 ATOM 591 C C . PHE A 1 73 ? -11.368 1.351 3.132 1.00 91.70 73 A 1 ATOM 592 O O . PHE A 1 73 ? -11.255 1.768 4.285 1.00 90.30 73 A 1 ATOM 593 C CB . PHE A 1 73 ? -13.494 -0.012 3.312 1.00 91.20 73 A 1 ATOM 594 C CG . PHE A 1 73 ? -14.929 -0.266 2.888 1.00 88.82 73 A 1 ATOM 595 C CD1 . PHE A 1 73 ? -15.782 0.796 2.536 1.00 85.25 73 A 1 ATOM 596 C CD2 . PHE A 1 73 ? -15.429 -1.583 2.869 1.00 84.86 73 A 1 ATOM 597 C CE1 . PHE A 1 73 ? -17.112 0.546 2.157 1.00 82.55 73 A 1 ATOM 598 C CE2 . PHE A 1 73 ? -16.758 -1.832 2.497 1.00 81.52 73 A 1 ATOM 599 C CZ . PHE A 1 73 ? -17.599 -0.768 2.138 1.00 81.65 73 A 1 ATOM 600 N N . ILE A 1 74 ? -10.300 1.123 2.363 1.00 91.60 74 A 1 ATOM 601 C CA . ILE A 1 74 ? -8.924 1.405 2.759 1.00 92.06 74 A 1 ATOM 602 C C . ILE A 1 74 ? -8.387 2.506 1.847 1.00 91.56 74 A 1 ATOM 603 O O . ILE A 1 74 ? -8.245 2.319 0.643 1.00 90.90 74 A 1 ATOM 604 C CB . ILE A 1 74 ? -8.060 0.127 2.732 1.00 92.37 74 A 1 ATOM 605 C CG1 . ILE A 1 74 ? -8.630 -0.916 3.723 1.00 90.25 74 A 1 ATOM 606 C CG2 . ILE A 1 74 ? -6.604 0.474 3.087 1.00 89.70 74 A 1 ATOM 607 C CD1 . ILE A 1 74 ? -7.910 -2.264 3.720 1.00 85.61 74 A 1 ATOM 608 N N . LYS A 1 75 ? -8.058 3.657 2.431 1.00 90.34 75 A 1 ATOM 609 C CA . LYS A 1 75 ? -7.435 4.757 1.689 1.00 89.48 75 A 1 ATOM 610 C C . LYS A 1 75 ? -6.086 4.297 1.132 1.00 89.81 75 A 1 ATOM 611 O O . LYS A 1 75 ? -5.273 3.762 1.885 1.00 88.17 75 A 1 ATOM 612 C CB . LYS A 1 75 ? -7.301 5.992 2.597 1.00 87.04 75 A 1 ATOM 613 C CG . LYS A 1 75 ? -6.795 7.213 1.814 1.00 78.34 75 A 1 ATOM 614 C CD . LYS A 1 75 ? -6.726 8.473 2.684 1.00 74.15 75 A 1 ATOM 615 C CE . LYS A 1 75 ? -6.198 9.637 1.838 1.00 65.98 75 A 1 ATOM 616 N NZ . LYS A 1 75 ? -6.117 10.914 2.594 1.00 58.47 75 A 1 ATOM 617 N N . ALA A 1 76 ? -5.854 4.533 -0.157 1.00 91.25 76 A 1 ATOM 618 C CA . ALA A 1 76 ? -4.577 4.230 -0.796 1.00 90.19 76 A 1 ATOM 619 C C . ALA A 1 76 ? -3.438 5.019 -0.132 1.00 88.88 76 A 1 ATOM 620 O O . ALA A 1 76 ? -3.588 6.198 0.201 1.00 85.94 76 A 1 ATOM 621 C CB . ALA A 1 76 ? -4.686 4.492 -2.301 1.00 88.95 76 A 1 ATOM 622 N N . ARG A 1 77 ? -2.312 4.325 0.103 1.00 87.01 77 A 1 ATOM 623 C CA . ARG A 1 77 ? -1.097 4.855 0.740 1.00 84.62 77 A 1 ATOM 624 C C . ARG A 1 77 ? 0.113 4.350 -0.044 1.00 82.94 77 A 1 ATOM 625 O O . ARG A 1 77 ? 0.132 3.179 -0.417 1.00 76.25 77 A 1 ATOM 626 C CB . ARG A 1 77 ? -1.018 4.392 2.209 1.00 82.46 77 A 1 ATOM 627 C CG . ARG A 1 77 ? -2.174 4.921 3.068 1.00 77.82 77 A 1 ATOM 628 C CD . ARG A 1 77 ? -2.081 4.375 4.496 1.00 76.67 77 A 1 ATOM 629 N NE . ARG A 1 77 ? -3.245 4.782 5.311 1.00 73.37 77 A 1 ATOM 630 C CZ . ARG A 1 77 ? -3.421 4.528 6.598 1.00 69.49 77 A 1 ATOM 631 N NH1 . ARG A 1 77 ? -2.542 3.869 7.298 1.00 64.97 77 A 1 ATOM 632 N NH2 . ARG A 1 77 ? -4.500 4.935 7.205 1.00 62.07 77 A 1 ATOM 633 N N . GLY A 1 78 ? 1.058 5.239 -0.304 1.00 83.70 78 A 1 ATOM 634 C CA . GLY A 1 78 ? 2.363 4.897 -0.876 1.00 80.34 78 A 1 ATOM 635 C C . GLY A 1 78 ? 3.338 4.397 0.177 1.00 75.35 78 A 1 ATOM 636 O O . GLY A 1 78 ? 3.031 4.485 1.392 1.00 68.30 78 A 1 ATOM 637 O OXT . GLY A 1 78 ? 4.415 3.911 -0.236 1.00 72.71 78 A 1 #