# 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_acriia23 # _entry.id acriia23 # 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 ILE y ISOLEUCINE CC[C@H](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 PHE 2 1 n ILE 3 1 n TYR 4 1 n VAL 5 1 n ILE 6 1 n ARG 7 1 n ARG 8 1 n ASN 9 1 n LYS 10 1 n MET 11 1 n GLU 12 1 n TYR 13 1 n GLY 14 1 n ASN 15 1 n LYS 16 1 n ILE 17 1 n PHE 18 1 n GLU 19 1 n ILE 20 1 n TYR 21 1 n ASN 22 1 n LYS 23 1 n PRO 24 1 n PHE 25 1 n LYS 26 1 n TYR 27 1 n ARG 28 1 n ASN 29 1 n SER 30 1 n SER 31 1 n SER 32 1 n THR 33 1 n ASN 34 1 n TYR 35 1 n ASN 36 1 n LYS 37 1 n VAL 38 1 n ARG 39 1 n ALA 40 1 n SER 41 1 n GLY 42 1 n ILE 43 1 n GLU 44 1 n PRO 45 1 n ASN 46 1 n THR 47 1 n LYS 48 1 n PHE 49 1 n VAL 50 1 n VAL 51 1 n ASN 52 1 n LYS 53 1 n THR 54 1 n ALA 55 1 n ASN 56 1 n ILE 57 1 n ASN 58 1 n CYS 59 1 n ALA 60 1 n VAL 61 1 n TYR 62 1 n PRO 63 1 n ARG 64 1 n HIS 65 1 n GLY 66 1 n SER 67 1 n ILE 68 1 n GLU 69 1 n LYS 70 1 n VAL 71 1 n PHE 72 1 n TYR 73 1 n TRP 74 1 n GLY 75 1 n ASP 76 1 n ARG 77 1 n LYS 78 1 n ILE 79 1 n THR 80 1 n GLN 81 1 n ALA 82 1 n THR 83 1 n ALA 84 1 n GLU 85 1 n LYS 86 1 n ARG 87 1 n CYS 88 1 n GLY 89 1 n TYR 90 1 n PHE 91 1 n LYS 92 1 n GLY 93 # _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 @ 2025-04-06 19:48:47)" _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 85.92 _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 35.81 1 1 A PHE 2 2 40.06 1 2 A ILE 3 2 45.56 1 3 A TYR 4 2 37.86 1 4 A VAL 5 2 37.85 1 5 A ILE 6 2 36.09 1 6 A ARG 7 2 29.88 1 7 A ARG 8 2 37.05 1 8 A ASN 9 2 43.99 1 9 A LYS 10 2 54.76 1 10 A MET 11 2 70.41 1 11 A GLU 12 2 87.87 1 12 A TYR 13 2 94.42 1 13 A GLY 14 2 95.87 1 14 A ASN 15 2 94.20 1 15 A LYS 16 2 85.23 1 16 A ILE 17 2 96.89 1 17 A PHE 18 2 97.12 1 18 A GLU 19 2 92.22 1 19 A ILE 20 2 95.26 1 20 A TYR 21 2 95.48 1 21 A ASN 22 2 92.47 1 22 A LYS 23 2 86.07 1 23 A PRO 24 2 88.93 1 24 A PHE 25 2 81.82 1 25 A LYS 26 2 82.45 1 26 A TYR 27 2 91.28 1 27 A ARG 28 2 78.16 1 28 A ASN 29 2 90.66 1 29 A SER 30 2 95.35 1 30 A SER 31 2 93.58 1 31 A SER 32 2 94.60 1 32 A THR 33 2 96.09 1 33 A ASN 34 2 96.42 1 34 A TYR 35 2 94.99 1 35 A ASN 36 2 94.74 1 36 A LYS 37 2 89.37 1 37 A VAL 38 2 96.58 1 38 A ARG 39 2 85.64 1 39 A ALA 40 2 95.51 1 40 A SER 41 2 92.67 1 41 A GLY 42 2 94.36 1 42 A ILE 43 2 96.15 1 43 A GLU 44 2 90.49 1 44 A PRO 45 2 97.09 1 45 A ASN 46 2 95.44 1 46 A THR 47 2 94.28 1 47 A LYS 48 2 91.93 1 48 A PHE 49 2 97.10 1 49 A VAL 50 2 96.38 1 50 A VAL 51 2 97.29 1 51 A ASN 52 2 96.88 1 52 A LYS 53 2 88.73 1 53 A THR 54 2 93.77 1 54 A ALA 55 2 97.56 1 55 A ASN 56 2 94.59 1 56 A ILE 57 2 97.69 1 57 A ASN 58 2 95.01 1 58 A CYS 59 2 97.94 1 59 A ALA 60 2 98.03 1 60 A VAL 61 2 97.79 1 61 A TYR 62 2 96.94 1 62 A PRO 63 2 97.32 1 63 A ARG 64 2 86.80 1 64 A HIS 65 2 90.59 1 65 A GLY 66 2 96.12 1 66 A SER 67 2 96.21 1 67 A ILE 68 2 96.68 1 68 A GLU 69 2 88.13 1 69 A LYS 70 2 95.09 1 70 A VAL 71 2 97.83 1 71 A PHE 72 2 98.42 1 72 A TYR 73 2 97.82 1 73 A TRP 74 2 94.22 1 74 A GLY 75 2 96.50 1 75 A ASP 76 2 91.48 1 76 A ARG 77 2 82.84 1 77 A LYS 78 2 92.29 1 78 A ILE 79 2 98.31 1 79 A THR 80 2 97.48 1 80 A GLN 81 2 96.12 1 81 A ALA 82 2 97.48 1 82 A THR 83 2 97.61 1 83 A ALA 84 2 98.41 1 84 A GLU 85 2 96.86 1 85 A LYS 86 2 89.49 1 86 A ARG 87 2 90.17 1 87 A CYS 88 2 97.44 1 88 A GLY 89 2 96.51 1 89 A TYR 90 2 94.31 1 90 A PHE 91 2 76.17 1 91 A LYS 92 2 73.55 1 92 A GLY 93 2 63.44 1 93 # _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 PHE . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n TYR . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n ASN . 9 A 9 A 10 1 n LYS . 10 A 10 A 11 1 n MET . 11 A 11 A 12 1 n GLU . 12 A 12 A 13 1 n TYR . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n ASN . 15 A 15 A 16 1 n LYS . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n GLU . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n TYR . 21 A 21 A 22 1 n ASN . 22 A 22 A 23 1 n LYS . 23 A 23 A 24 1 n PRO . 24 A 24 A 25 1 n PHE . 25 A 25 A 26 1 n LYS . 26 A 26 A 27 1 n TYR . 27 A 27 A 28 1 n ARG . 28 A 28 A 29 1 n ASN . 29 A 29 A 30 1 n SER . 30 A 30 A 31 1 n SER . 31 A 31 A 32 1 n SER . 32 A 32 A 33 1 n THR . 33 A 33 A 34 1 n ASN . 34 A 34 A 35 1 n TYR . 35 A 35 A 36 1 n ASN . 36 A 36 A 37 1 n LYS . 37 A 37 A 38 1 n VAL . 38 A 38 A 39 1 n ARG . 39 A 39 A 40 1 n ALA . 40 A 40 A 41 1 n SER . 41 A 41 A 42 1 n GLY . 42 A 42 A 43 1 n ILE . 43 A 43 A 44 1 n GLU . 44 A 44 A 45 1 n PRO . 45 A 45 A 46 1 n ASN . 46 A 46 A 47 1 n THR . 47 A 47 A 48 1 n LYS . 48 A 48 A 49 1 n PHE . 49 A 49 A 50 1 n VAL . 50 A 50 A 51 1 n VAL . 51 A 51 A 52 1 n ASN . 52 A 52 A 53 1 n LYS . 53 A 53 A 54 1 n THR . 54 A 54 A 55 1 n ALA . 55 A 55 A 56 1 n ASN . 56 A 56 A 57 1 n ILE . 57 A 57 A 58 1 n ASN . 58 A 58 A 59 1 n CYS . 59 A 59 A 60 1 n ALA . 60 A 60 A 61 1 n VAL . 61 A 61 A 62 1 n TYR . 62 A 62 A 63 1 n PRO . 63 A 63 A 64 1 n ARG . 64 A 64 A 65 1 n HIS . 65 A 65 A 66 1 n GLY . 66 A 66 A 67 1 n SER . 67 A 67 A 68 1 n ILE . 68 A 68 A 69 1 n GLU . 69 A 69 A 70 1 n LYS . 70 A 70 A 71 1 n VAL . 71 A 71 A 72 1 n PHE . 72 A 72 A 73 1 n TYR . 73 A 73 A 74 1 n TRP . 74 A 74 A 75 1 n GLY . 75 A 75 A 76 1 n ASP . 76 A 76 A 77 1 n ARG . 77 A 77 A 78 1 n LYS . 78 A 78 A 79 1 n ILE . 79 A 79 A 80 1 n THR . 80 A 80 A 81 1 n GLN . 81 A 81 A 82 1 n ALA . 82 A 82 A 83 1 n THR . 83 A 83 A 84 1 n ALA . 84 A 84 A 85 1 n GLU . 85 A 85 A 86 1 n LYS . 86 A 86 A 87 1 n ARG . 87 A 87 A 88 1 n CYS . 88 A 88 A 89 1 n GLY . 89 A 89 A 90 1 n TYR . 90 A 90 A 91 1 n PHE . 91 A 91 A 92 1 n LYS . 92 A 92 A 93 1 n GLY . 93 A 93 # _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 ? 35.372 -7.677 -7.051 1.00 25.70 1 A 1 ATOM 2 C CA . MET A 1 1 ? 34.130 -7.789 -6.246 1.00 40.05 1 A 1 ATOM 3 C C . MET A 1 1 ? 33.200 -6.654 -6.658 1.00 42.46 1 A 1 ATOM 4 O O . MET A 1 1 ? 33.327 -5.552 -6.143 1.00 39.85 1 A 1 ATOM 5 C CB . MET A 1 1 ? 34.494 -7.763 -4.751 1.00 40.31 1 A 1 ATOM 6 C CG . MET A 1 1 ? 33.317 -8.129 -3.838 1.00 35.16 1 A 1 ATOM 7 S SD . MET A 1 1 ? 33.839 -8.439 -2.124 1.00 33.86 1 A 1 ATOM 8 C CE . MET A 1 1 ? 33.867 -6.761 -1.438 1.00 29.12 1 A 1 ATOM 9 N N . PHE A 1 2 ? 32.355 -6.883 -7.684 1.00 37.42 2 A 1 ATOM 10 C CA . PHE A 1 2 ? 31.413 -5.864 -8.150 1.00 44.57 2 A 1 ATOM 11 C C . PHE A 1 2 ? 30.167 -5.928 -7.262 1.00 44.43 2 A 1 ATOM 12 O O . PHE A 1 2 ? 29.377 -6.866 -7.351 1.00 44.16 2 A 1 ATOM 13 C CB . PHE A 1 2 ? 31.085 -6.067 -9.636 1.00 43.15 2 A 1 ATOM 14 C CG . PHE A 1 2 ? 32.085 -5.429 -10.580 1.00 39.67 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? 31.902 -4.092 -10.992 1.00 36.79 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? 33.190 -6.148 -11.057 1.00 39.73 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? 32.815 -3.483 -11.874 1.00 34.44 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? 34.111 -5.544 -11.935 1.00 36.19 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? 33.922 -4.210 -12.343 1.00 40.15 2 A 1 ATOM 20 N N . ILE A 1 3 ? 30.010 -4.943 -6.382 1.00 41.79 3 A 1 ATOM 21 C CA . ILE A 1 3 ? 28.767 -4.748 -5.639 1.00 48.22 3 A 1 ATOM 22 C C . ILE A 1 3 ? 27.751 -4.198 -6.646 1.00 48.38 3 A 1 ATOM 23 O O . ILE A 1 3 ? 27.718 -3.003 -6.938 1.00 46.22 3 A 1 ATOM 24 C CB . ILE A 1 3 ? 28.977 -3.830 -4.414 1.00 47.86 3 A 1 ATOM 25 C CG1 . ILE A 1 3 ? 30.003 -4.466 -3.443 1.00 43.75 3 A 1 ATOM 26 C CG2 . ILE A 1 3 ? 27.632 -3.582 -3.698 1.00 45.68 3 A 1 ATOM 27 C CD1 . ILE A 1 3 ? 30.384 -3.574 -2.255 1.00 42.59 3 A 1 ATOM 28 N N . TYR A 1 4 ? 26.932 -5.102 -7.219 1.00 38.08 4 A 1 ATOM 29 C CA . TYR A 1 4 ? 25.721 -4.693 -7.915 1.00 42.76 4 A 1 ATOM 30 C C . TYR A 1 4 ? 24.791 -4.049 -6.883 1.00 43.90 4 A 1 ATOM 31 O O . TYR A 1 4 ? 24.044 -4.724 -6.175 1.00 43.54 4 A 1 ATOM 32 C CB . TYR A 1 4 ? 25.062 -5.886 -8.635 1.00 42.59 4 A 1 ATOM 33 C CG . TYR A 1 4 ? 25.342 -5.937 -10.126 1.00 38.54 4 A 1 ATOM 34 C CD1 . TYR A 1 4 ? 24.424 -5.366 -11.034 1.00 35.48 4 A 1 ATOM 35 C CD2 . TYR A 1 4 ? 26.505 -6.561 -10.616 1.00 35.39 4 A 1 ATOM 36 C CE1 . TYR A 1 4 ? 24.661 -5.430 -12.421 1.00 32.21 4 A 1 ATOM 37 C CE2 . TYR A 1 4 ? 26.751 -6.622 -12.003 1.00 34.52 4 A 1 ATOM 38 C CZ . TYR A 1 4 ? 25.825 -6.060 -12.908 1.00 35.06 4 A 1 ATOM 39 O OH . TYR A 1 4 ? 26.055 -6.124 -14.255 1.00 32.31 4 A 1 ATOM 40 N N . VAL A 1 5 ? 24.833 -2.714 -6.793 1.00 36.81 5 A 1 ATOM 41 C CA . VAL A 1 5 ? 23.748 -1.950 -6.180 1.00 40.39 5 A 1 ATOM 42 C C . VAL A 1 5 ? 22.544 -2.133 -7.098 1.00 40.30 5 A 1 ATOM 43 O O . VAL A 1 5 ? 22.334 -1.371 -8.040 1.00 38.74 5 A 1 ATOM 44 C CB . VAL A 1 5 ? 24.118 -0.465 -5.975 1.00 39.66 5 A 1 ATOM 45 C CG1 . VAL A 1 5 ? 22.968 0.308 -5.320 1.00 32.62 5 A 1 ATOM 46 C CG2 . VAL A 1 5 ? 25.349 -0.328 -5.071 1.00 36.45 5 A 1 ATOM 47 N N . ILE A 1 6 ? 21.762 -3.195 -6.847 1.00 35.14 6 A 1 ATOM 48 C CA . ILE A 1 6 ? 20.434 -3.345 -7.426 1.00 38.52 6 A 1 ATOM 49 C C . ILE A 1 6 ? 19.637 -2.152 -6.897 1.00 39.14 6 A 1 ATOM 50 O O . ILE A 1 6 ? 19.084 -2.181 -5.796 1.00 36.86 6 A 1 ATOM 51 C CB . ILE A 1 6 ? 19.786 -4.707 -7.069 1.00 37.40 6 A 1 ATOM 52 C CG1 . ILE A 1 6 ? 20.663 -5.882 -7.577 1.00 33.42 6 A 1 ATOM 53 C CG2 . ILE A 1 6 ? 18.369 -4.794 -7.677 1.00 35.01 6 A 1 ATOM 54 C CD1 . ILE A 1 6 ? 20.141 -7.274 -7.197 1.00 33.24 6 A 1 ATOM 55 N N . ARG A 1 7 ? 19.598 -1.063 -7.690 1.00 33.53 7 A 1 ATOM 56 C CA . ARG A 1 7 ? 18.530 -0.075 -7.569 1.00 36.95 7 A 1 ATOM 57 C C . ARG A 1 7 ? 17.242 -0.857 -7.798 1.00 37.90 7 A 1 ATOM 58 O O . ARG A 1 7 ? 16.855 -1.083 -8.940 1.00 35.99 7 A 1 ATOM 59 C CB . ARG A 1 7 ? 18.688 1.068 -8.592 1.00 35.12 7 A 1 ATOM 60 C CG . ARG A 1 7 ? 19.784 2.079 -8.220 1.00 30.22 7 A 1 ATOM 61 C CD . ARG A 1 7 ? 19.812 3.230 -9.245 1.00 27.36 7 A 1 ATOM 62 N NE . ARG A 1 7 ? 20.814 4.258 -8.899 1.00 25.11 7 A 1 ATOM 63 C CZ . ARG A 1 7 ? 21.138 5.323 -9.624 1.00 22.94 7 A 1 ATOM 64 N NH1 . ARG A 1 7 ? 20.568 5.576 -10.772 1.00 22.34 7 A 1 ATOM 65 N NH2 . ARG A 1 7 ? 22.048 6.158 -9.205 1.00 21.27 7 A 1 ATOM 66 N N . ARG A 1 8 ? 16.615 -1.339 -6.721 1.00 44.42 8 A 1 ATOM 67 C CA . ARG A 1 8 ? 15.239 -1.825 -6.758 1.00 45.07 8 A 1 ATOM 68 C C . ARG A 1 8 ? 14.417 -0.654 -7.289 1.00 45.86 8 A 1 ATOM 69 O O . ARG A 1 8 ? 14.072 0.253 -6.537 1.00 42.25 8 A 1 ATOM 70 C CB . ARG A 1 8 ? 14.753 -2.283 -5.370 1.00 42.13 8 A 1 ATOM 71 C CG . ARG A 1 8 ? 15.176 -3.717 -5.008 1.00 37.03 8 A 1 ATOM 72 C CD . ARG A 1 8 ? 14.573 -4.122 -3.654 1.00 34.55 8 A 1 ATOM 73 N NE . ARG A 1 8 ? 14.833 -5.539 -3.326 1.00 31.94 8 A 1 ATOM 74 C CZ . ARG A 1 8 ? 14.522 -6.160 -2.195 1.00 29.59 8 A 1 ATOM 75 N NH1 . ARG A 1 8 ? 13.949 -5.534 -1.200 1.00 27.96 8 A 1 ATOM 76 N NH2 . ARG A 1 8 ? 14.780 -7.428 -2.043 1.00 26.79 8 A 1 ATOM 77 N N . ASN A 1 9 ? 14.162 -0.648 -8.600 1.00 48.39 9 A 1 ATOM 78 C CA . ASN A 1 9 ? 13.050 0.101 -9.155 1.00 49.68 9 A 1 ATOM 79 C C . ASN A 1 9 ? 11.840 -0.395 -8.373 1.00 51.17 9 A 1 ATOM 80 O O . ASN A 1 9 ? 11.420 -1.539 -8.546 1.00 47.41 9 A 1 ATOM 81 C CB . ASN A 1 9 ? 12.934 -0.163 -10.668 1.00 45.12 9 A 1 ATOM 82 C CG . ASN A 1 9 ? 13.885 0.688 -11.501 1.00 39.34 9 A 1 ATOM 83 O OD1 . ASN A 1 9 ? 14.256 1.793 -11.129 1.00 36.13 9 A 1 ATOM 84 N ND2 . ASN A 1 9 ? 14.285 0.214 -12.661 1.00 34.68 9 A 1 ATOM 85 N N . LYS A 1 10 ? 11.381 0.399 -7.392 1.00 60.74 10 A 1 ATOM 86 C CA . LYS A 1 10 ? 10.204 0.070 -6.598 1.00 63.63 10 A 1 ATOM 87 C C . LYS A 1 10 ? 9.062 -0.027 -7.603 1.00 69.00 10 A 1 ATOM 88 O O . LYS A 1 10 ? 8.646 0.999 -8.134 1.00 65.98 10 A 1 ATOM 89 C CB . LYS A 1 10 ? 9.942 1.135 -5.523 1.00 57.17 10 A 1 ATOM 90 C CG . LYS A 1 10 ? 10.943 1.110 -4.357 1.00 50.08 10 A 1 ATOM 91 C CD . LYS A 1 10 ? 10.559 2.151 -3.290 1.00 46.17 10 A 1 ATOM 92 C CE . LYS A 1 10 ? 11.515 2.115 -2.092 1.00 42.18 10 A 1 ATOM 93 N NZ . LYS A 1 10 ? 11.140 3.102 -1.039 1.00 37.89 10 A 1 ATOM 94 N N . MET A 1 11 ? 8.661 -1.265 -7.930 1.00 74.61 11 A 1 ATOM 95 C CA . MET A 1 11 ? 7.525 -1.498 -8.811 1.00 80.98 11 A 1 ATOM 96 C C . MET A 1 11 ? 6.309 -0.820 -8.186 1.00 86.70 11 A 1 ATOM 97 O O . MET A 1 11 ? 6.090 -0.905 -6.969 1.00 82.98 11 A 1 ATOM 98 C CB . MET A 1 11 ? 7.278 -2.998 -9.018 1.00 72.87 11 A 1 ATOM 99 C CG . MET A 1 11 ? 8.414 -3.690 -9.788 1.00 61.43 11 A 1 ATOM 100 S SD . MET A 1 11 ? 8.028 -5.416 -10.188 1.00 55.89 11 A 1 ATOM 101 C CE . MET A 1 11 ? 9.692 -6.112 -10.321 1.00 47.86 11 A 1 ATOM 102 N N . GLU A 1 12 ? 5.555 -0.098 -9.006 1.00 90.39 12 A 1 ATOM 103 C CA . GLU A 1 12 ? 4.316 0.530 -8.573 1.00 92.75 12 A 1 ATOM 104 C C . GLU A 1 12 ? 3.239 -0.544 -8.431 1.00 93.63 12 A 1 ATOM 105 O O . GLU A 1 12 ? 3.098 -1.411 -9.291 1.00 91.96 12 A 1 ATOM 106 C CB . GLU A 1 12 ? 3.894 1.612 -9.570 1.00 90.27 12 A 1 ATOM 107 C CG . GLU A 1 12 ? 4.940 2.733 -9.682 1.00 83.83 12 A 1 ATOM 108 C CD . GLU A 1 12 ? 4.556 3.842 -10.670 1.00 85.10 12 A 1 ATOM 109 O OE1 . GLU A 1 12 ? 5.340 4.819 -10.746 1.00 80.09 12 A 1 ATOM 110 O OE2 . GLU A 1 12 ? 3.505 3.750 -11.335 1.00 82.84 12 A 1 ATOM 111 N N . TYR A 1 13 ? 2.469 -0.491 -7.353 1.00 95.04 13 A 1 ATOM 112 C CA . TYR A 1 13 ? 1.328 -1.393 -7.180 1.00 95.46 13 A 1 ATOM 113 C C . TYR A 1 13 ? 0.173 -1.024 -8.123 1.00 95.39 13 A 1 ATOM 114 O O . TYR A 1 13 ? -0.598 -1.886 -8.546 1.00 93.58 13 A 1 ATOM 115 C CB . TYR A 1 13 ? 0.898 -1.374 -5.711 1.00 95.41 13 A 1 ATOM 116 C CG . TYR A 1 13 ? -0.119 -2.444 -5.389 1.00 95.50 13 A 1 ATOM 117 C CD1 . TYR A 1 13 ? -1.497 -2.174 -5.501 1.00 94.27 13 A 1 ATOM 118 C CD2 . TYR A 1 13 ? 0.311 -3.736 -5.019 1.00 94.62 13 A 1 ATOM 119 C CE1 . TYR A 1 13 ? -2.438 -3.186 -5.244 1.00 93.43 13 A 1 ATOM 120 C CE2 . TYR A 1 13 ? -0.625 -4.750 -4.760 1.00 93.60 13 A 1 ATOM 121 C CZ . TYR A 1 13 ? -2.001 -4.474 -4.876 1.00 93.98 13 A 1 ATOM 122 O OH . TYR A 1 13 ? -2.915 -5.463 -4.629 1.00 92.76 13 A 1 ATOM 123 N N . GLY A 1 14 ? 0.076 0.263 -8.479 1.00 95.54 14 A 1 ATOM 124 C CA . GLY A 1 14 ? -0.938 0.804 -9.372 1.00 95.80 14 A 1 ATOM 125 C C . GLY A 1 14 ? -2.327 0.965 -8.739 1.00 96.44 14 A 1 ATOM 126 O O . GLY A 1 14 ? -2.540 0.754 -7.538 1.00 95.70 14 A 1 ATOM 127 N N . ASN A 1 15 ? -3.290 1.347 -9.584 1.00 96.47 15 A 1 ATOM 128 C CA . ASN A 1 15 ? -4.626 1.781 -9.163 1.00 96.74 15 A 1 ATOM 129 C C . ASN A 1 15 ? -5.508 0.668 -8.570 1.00 96.92 15 A 1 ATOM 130 O O . ASN A 1 15 ? -6.483 0.966 -7.882 1.00 95.94 15 A 1 ATOM 131 C CB . ASN A 1 15 ? -5.298 2.472 -10.359 1.00 96.00 15 A 1 ATOM 132 C CG . ASN A 1 15 ? -4.688 3.831 -10.684 1.00 94.20 15 A 1 ATOM 133 O OD1 . ASN A 1 15 ? -3.880 4.375 -9.947 1.00 88.85 15 A 1 ATOM 134 N ND2 . ASN A 1 15 ? -5.067 4.427 -11.794 1.00 88.48 15 A 1 ATOM 135 N N . LYS A 1 16 ? -5.126 -0.609 -8.735 1.00 96.07 16 A 1 ATOM 136 C CA . LYS A 1 16 ? -5.847 -1.744 -8.129 1.00 95.78 16 A 1 ATOM 137 C C . LYS A 1 16 ? -6.029 -1.596 -6.610 1.00 96.39 16 A 1 ATOM 138 O O . LYS A 1 16 ? -6.985 -2.112 -6.043 1.00 95.48 16 A 1 ATOM 139 C CB . LYS A 1 16 ? -5.089 -3.033 -8.480 1.00 94.29 16 A 1 ATOM 140 C CG . LYS A 1 16 ? -5.840 -4.289 -8.021 1.00 83.70 16 A 1 ATOM 141 C CD . LYS A 1 16 ? -5.105 -5.551 -8.470 1.00 77.86 16 A 1 ATOM 142 C CE . LYS A 1 16 ? -5.887 -6.786 -8.012 1.00 67.75 16 A 1 ATOM 143 N NZ . LYS A 1 16 ? -5.235 -8.035 -8.466 1.00 59.76 16 A 1 ATOM 144 N N . ILE A 1 17 ? -5.145 -0.846 -5.925 1.00 97.01 17 A 1 ATOM 145 C CA . ILE A 1 17 ? -5.274 -0.592 -4.486 1.00 97.34 17 A 1 ATOM 146 C C . ILE A 1 17 ? -6.576 0.142 -4.124 1.00 97.36 17 A 1 ATOM 147 O O . ILE A 1 17 ? -7.096 -0.039 -3.019 1.00 97.21 17 A 1 ATOM 148 C CB . ILE A 1 17 ? -4.037 0.176 -3.967 1.00 97.42 17 A 1 ATOM 149 C CG1 . ILE A 1 17 ? -3.942 0.208 -2.427 1.00 96.63 17 A 1 ATOM 150 C CG2 . ILE A 1 17 ? -3.991 1.622 -4.495 1.00 96.59 17 A 1 ATOM 151 C CD1 . ILE A 1 17 ? -3.903 -1.173 -1.771 1.00 95.58 17 A 1 ATOM 152 N N . PHE A 1 18 ? -7.127 0.943 -5.047 1.00 97.23 18 A 1 ATOM 153 C CA . PHE A 1 18 ? -8.359 1.696 -4.819 1.00 97.15 18 A 1 ATOM 154 C C . PHE A 1 18 ? -9.613 0.809 -4.860 1.00 96.85 18 A 1 ATOM 155 O O . PHE A 1 18 ? -10.643 1.184 -4.308 1.00 96.03 18 A 1 ATOM 156 C CB . PHE A 1 18 ? -8.436 2.854 -5.825 1.00 97.25 18 A 1 ATOM 157 C CG . PHE A 1 18 ? -7.245 3.801 -5.787 1.00 97.65 18 A 1 ATOM 158 C CD1 . PHE A 1 18 ? -6.835 4.387 -4.575 1.00 97.16 18 A 1 ATOM 159 C CD2 . PHE A 1 18 ? -6.542 4.100 -6.972 1.00 97.40 18 A 1 ATOM 160 C CE1 . PHE A 1 18 ? -5.732 5.258 -4.542 1.00 97.12 18 A 1 ATOM 161 C CE2 . PHE A 1 18 ? -5.445 4.975 -6.940 1.00 97.06 18 A 1 ATOM 162 C CZ . PHE A 1 18 ? -5.034 5.553 -5.724 1.00 97.39 18 A 1 ATOM 163 N N . GLU A 1 19 ? -9.510 -0.394 -5.423 1.00 96.39 19 A 1 ATOM 164 C CA . GLU A 1 19 ? -10.624 -1.340 -5.560 1.00 95.98 19 A 1 ATOM 165 C C . GLU A 1 19 ? -10.724 -2.313 -4.378 1.00 95.87 19 A 1 ATOM 166 O O . GLU A 1 19 ? -11.793 -2.850 -4.079 1.00 94.53 19 A 1 ATOM 167 C CB . GLU A 1 19 ? -10.441 -2.128 -6.862 1.00 95.40 19 A 1 ATOM 168 C CG . GLU A 1 19 ? -10.444 -1.223 -8.104 1.00 93.15 19 A 1 ATOM 169 C CD . GLU A 1 19 ? -10.042 -1.973 -9.385 1.00 90.19 19 A 1 ATOM 170 O OE1 . GLU A 1 19 ? -9.924 -1.286 -10.420 1.00 84.39 19 A 1 ATOM 171 O OE2 . GLU A 1 19 ? -9.784 -3.202 -9.301 1.00 84.05 19 A 1 ATOM 172 N N . ILE A 1 20 ? -9.615 -2.526 -3.663 1.00 96.24 20 A 1 ATOM 173 C CA . ILE A 1 20 ? -9.533 -3.510 -2.576 1.00 96.16 20 A 1 ATOM 174 C C . ILE A 1 20 ? -9.548 -2.845 -1.194 1.00 96.35 20 A 1 ATOM 175 O O . ILE A 1 20 ? -9.179 -1.679 -1.027 1.00 95.77 20 A 1 ATOM 176 C CB . ILE A 1 20 ? -8.331 -4.466 -2.772 1.00 95.96 20 A 1 ATOM 177 C CG1 . ILE A 1 20 ? -6.981 -3.720 -2.692 1.00 95.07 20 A 1 ATOM 178 C CG2 . ILE A 1 20 ? -8.483 -5.239 -4.097 1.00 93.18 20 A 1 ATOM 179 C CD1 . ILE A 1 20 ? -5.752 -4.633 -2.754 1.00 93.36 20 A 1 ATOM 180 N N . TYR A 1 21 ? -9.955 -3.588 -0.191 1.00 96.20 21 A 1 ATOM 181 C CA . TYR A 1 21 ? -9.971 -3.163 1.221 1.00 96.25 21 A 1 ATOM 182 C C . TYR A 1 21 ? -10.747 -1.861 1.497 1.00 96.14 21 A 1 ATOM 183 O O . TYR A 1 21 ? -10.424 -1.115 2.415 1.00 94.48 21 A 1 ATOM 184 C CB . TYR A 1 21 ? -8.541 -3.155 1.795 1.00 96.19 21 A 1 ATOM 185 C CG . TYR A 1 21 ? -7.719 -4.391 1.475 1.00 96.42 21 A 1 ATOM 186 C CD1 . TYR A 1 21 ? -8.222 -5.674 1.762 1.00 95.20 21 A 1 ATOM 187 C CD2 . TYR A 1 21 ? -6.451 -4.265 0.867 1.00 95.56 21 A 1 ATOM 188 C CE1 . TYR A 1 21 ? -7.482 -6.824 1.437 1.00 94.85 21 A 1 ATOM 189 C CE2 . TYR A 1 21 ? -5.701 -5.410 0.547 1.00 94.97 21 A 1 ATOM 190 C CZ . TYR A 1 21 ? -6.222 -6.691 0.826 1.00 95.27 21 A 1 ATOM 191 O OH . TYR A 1 21 ? -5.509 -7.814 0.507 1.00 94.20 21 A 1 ATOM 192 N N . ASN A 1 22 ? -11.809 -1.581 0.727 1.00 95.57 22 A 1 ATOM 193 C CA . ASN A 1 22 ? -12.650 -0.384 0.906 1.00 95.35 22 A 1 ATOM 194 C C . ASN A 1 22 ? -13.622 -0.476 2.095 1.00 95.10 22 A 1 ATOM 195 O O . ASN A 1 22 ? -14.165 0.534 2.535 1.00 91.65 22 A 1 ATOM 196 C CB . ASN A 1 22 ? -13.393 -0.110 -0.409 1.00 94.37 22 A 1 ATOM 197 C CG . ASN A 1 22 ? -12.452 0.410 -1.483 1.00 93.29 22 A 1 ATOM 198 O OD1 . ASN A 1 22 ? -11.469 1.068 -1.187 1.00 87.60 22 A 1 ATOM 199 N ND2 . ASN A 1 22 ? -12.708 0.129 -2.738 1.00 86.83 22 A 1 ATOM 200 N N . LYS A 1 23 ? -13.843 -1.681 2.620 1.00 93.58 23 A 1 ATOM 201 C CA . LYS A 1 23 ? -14.682 -1.921 3.801 1.00 93.13 23 A 1 ATOM 202 C C . LYS A 1 23 ? -13.826 -2.599 4.876 1.00 93.71 23 A 1 ATOM 203 O O . LYS A 1 23 ? -13.795 -3.831 4.902 1.00 90.69 23 A 1 ATOM 204 C CB . LYS A 1 23 ? -15.922 -2.749 3.417 1.00 91.54 23 A 1 ATOM 205 C CG . LYS A 1 23 ? -16.853 -1.993 2.452 1.00 87.18 23 A 1 ATOM 206 C CD . LYS A 1 23 ? -18.141 -2.785 2.167 1.00 81.66 23 A 1 ATOM 207 C CE . LYS A 1 23 ? -19.023 -1.987 1.194 1.00 76.25 23 A 1 ATOM 208 N NZ . LYS A 1 23 ? -20.330 -2.643 0.917 1.00 66.91 23 A 1 ATOM 209 N N . PRO A 1 24 ? -13.116 -1.836 5.731 1.00 91.33 24 A 1 ATOM 210 C CA . PRO A 1 24 ? -12.135 -2.389 6.676 1.00 89.95 24 A 1 ATOM 211 C C . PRO A 1 24 ? -12.740 -3.477 7.566 1.00 90.09 24 A 1 ATOM 212 O O . PRO A 1 24 ? -12.169 -4.560 7.678 1.00 86.61 24 A 1 ATOM 213 C CB . PRO A 1 24 ? -11.608 -1.184 7.472 1.00 88.30 24 A 1 ATOM 214 C CG . PRO A 1 24 ? -12.660 -0.094 7.278 1.00 86.34 24 A 1 ATOM 215 C CD . PRO A 1 24 ? -13.203 -0.391 5.884 1.00 89.88 24 A 1 ATOM 216 N N . PHE A 1 25 ? -13.945 -3.262 8.081 1.00 90.45 25 A 1 ATOM 217 C CA . PHE A 1 25 ? -14.642 -4.192 8.979 1.00 90.50 25 A 1 ATOM 218 C C . PHE A 1 25 ? -15.368 -5.348 8.269 1.00 90.92 25 A 1 ATOM 219 O O . PHE A 1 25 ? -16.053 -6.139 8.918 1.00 86.79 25 A 1 ATOM 220 C CB . PHE A 1 25 ? -15.592 -3.397 9.875 1.00 87.74 25 A 1 ATOM 221 C CG . PHE A 1 25 ? -14.911 -2.260 10.609 1.00 82.77 25 A 1 ATOM 222 C CD1 . PHE A 1 25 ? -13.923 -2.532 11.574 1.00 77.64 25 A 1 ATOM 223 C CD2 . PHE A 1 25 ? -15.233 -0.923 10.310 1.00 77.34 25 A 1 ATOM 224 C CE1 . PHE A 1 25 ? -13.266 -1.479 12.234 1.00 71.40 25 A 1 ATOM 225 C CE2 . PHE A 1 25 ? -14.580 0.128 10.971 1.00 72.63 25 A 1 ATOM 226 C CZ . PHE A 1 25 ? -13.594 -0.149 11.933 1.00 71.87 25 A 1 ATOM 227 N N . LYS A 1 26 ? -15.216 -5.502 6.947 1.00 91.38 26 A 1 ATOM 228 C CA . LYS A 1 26 ? -15.658 -6.709 6.227 1.00 91.49 26 A 1 ATOM 229 C C . LYS A 1 26 ? -14.821 -7.932 6.633 1.00 92.58 26 A 1 ATOM 230 O O . LYS A 1 26 ? -15.289 -9.060 6.541 1.00 88.32 26 A 1 ATOM 231 C CB . LYS A 1 26 ? -15.595 -6.448 4.708 1.00 87.90 26 A 1 ATOM 232 C CG . LYS A 1 26 ? -16.144 -7.618 3.875 1.00 80.25 26 A 1 ATOM 233 C CD . LYS A 1 26 ? -16.087 -7.326 2.366 1.00 78.05 26 A 1 ATOM 234 C CE . LYS A 1 26 ? -16.581 -8.562 1.598 1.00 69.72 26 A 1 ATOM 235 N NZ . LYS A 1 26 ? -16.513 -8.389 0.122 1.00 62.37 26 A 1 ATOM 236 N N . TYR A 1 27 ? -13.588 -7.706 7.077 1.00 92.91 27 A 1 ATOM 237 C CA . TYR A 1 27 ? -12.599 -8.742 7.358 1.00 93.71 27 A 1 ATOM 238 C C . TYR A 1 27 ? -12.575 -9.093 8.854 1.00 94.05 27 A 1 ATOM 239 O O . TYR A 1 27 ? -11.577 -8.872 9.537 1.00 91.48 27 A 1 ATOM 240 C CB . TYR A 1 27 ? -11.241 -8.290 6.811 1.00 93.21 27 A 1 ATOM 241 C CG . TYR A 1 27 ? -11.278 -7.922 5.345 1.00 92.91 27 A 1 ATOM 242 C CD1 . TYR A 1 27 ? -11.334 -8.923 4.357 1.00 90.53 27 A 1 ATOM 243 C CD2 . TYR A 1 27 ? -11.309 -6.565 4.962 1.00 91.14 27 A 1 ATOM 244 C CE1 . TYR A 1 27 ? -11.401 -8.575 2.999 1.00 89.32 27 A 1 ATOM 245 C CE2 . TYR A 1 27 ? -11.380 -6.209 3.604 1.00 89.38 27 A 1 ATOM 246 C CZ . TYR A 1 27 ? -11.422 -7.218 2.623 1.00 89.45 27 A 1 ATOM 247 O OH . TYR A 1 27 ? -11.488 -6.879 1.297 1.00 87.22 27 A 1 ATOM 248 N N . ARG A 1 28 ? -13.684 -9.644 9.360 1.00 93.36 28 A 1 ATOM 249 C CA . ARG A 1 28 ? -13.864 -10.034 10.776 1.00 92.77 28 A 1 ATOM 250 C C . ARG A 1 28 ? -13.153 -11.356 11.126 1.00 93.85 28 A 1 ATOM 251 O O . ARG A 1 28 ? -13.747 -12.247 11.725 1.00 90.60 28 A 1 ATOM 252 C CB . ARG A 1 28 ? -15.359 -10.073 11.136 1.00 90.47 28 A 1 ATOM 253 C CG . ARG A 1 28 ? -16.045 -8.708 10.999 1.00 82.37 28 A 1 ATOM 254 C CD . ARG A 1 28 ? -17.495 -8.822 11.481 1.00 76.33 28 A 1 ATOM 255 N NE . ARG A 1 28 ? -18.210 -7.539 11.368 1.00 68.85 28 A 1 ATOM 256 C CZ . ARG A 1 28 ? -19.466 -7.315 11.734 1.00 61.52 28 A 1 ATOM 257 N NH1 . ARG A 1 28 ? -20.215 -8.256 12.246 1.00 56.94 28 A 1 ATOM 258 N NH2 . ARG A 1 28 ? -19.990 -6.129 11.589 1.00 52.65 28 A 1 ATOM 259 N N . ASN A 1 29 ? -11.893 -11.488 10.719 1.00 94.89 29 A 1 ATOM 260 C CA . ASN A 1 29 ? -11.064 -12.669 10.935 1.00 94.99 29 A 1 ATOM 261 C C . ASN A 1 29 ? -9.968 -12.393 11.974 1.00 95.61 29 A 1 ATOM 262 O O . ASN A 1 29 ? -9.776 -11.255 12.422 1.00 93.67 29 A 1 ATOM 263 C CB . ASN A 1 29 ? -10.478 -13.110 9.582 1.00 93.20 29 A 1 ATOM 264 C CG . ASN A 1 29 ? -11.532 -13.482 8.559 1.00 89.60 29 A 1 ATOM 265 O OD1 . ASN A 1 29 ? -12.504 -14.156 8.835 1.00 82.26 29 A 1 ATOM 266 N ND2 . ASN A 1 29 ? -11.365 -13.056 7.326 1.00 81.02 29 A 1 ATOM 267 N N . SER A 1 30 ? -9.198 -13.426 12.317 1.00 95.78 30 A 1 ATOM 268 C CA . SER A 1 30 ? -8.002 -13.266 13.146 1.00 96.10 30 A 1 ATOM 269 C C . SER A 1 30 ? -6.961 -12.366 12.459 1.00 96.39 30 A 1 ATOM 270 O O . SER A 1 30 ? -6.947 -12.203 11.234 1.00 95.72 30 A 1 ATOM 271 C CB . SER A 1 30 ? -7.400 -14.640 13.483 1.00 95.71 30 A 1 ATOM 272 O OG . SER A 1 30 ? -6.752 -15.180 12.350 1.00 92.40 30 A 1 ATOM 273 N N . SER A 1 31 ? -6.048 -11.797 13.251 1.00 95.90 31 A 1 ATOM 274 C CA . SER A 1 31 ? -4.941 -10.989 12.726 1.00 95.72 31 A 1 ATOM 275 C C . SER A 1 31 ? -4.071 -11.778 11.740 1.00 96.34 31 A 1 ATOM 276 O O . SER A 1 31 ? -3.709 -11.245 10.692 1.00 95.65 31 A 1 ATOM 277 C CB . SER A 1 31 ? -4.090 -10.471 13.888 1.00 94.13 31 A 1 ATOM 278 O OG . SER A 1 31 ? -3.110 -9.567 13.420 1.00 83.76 31 A 1 ATOM 279 N N . SER A 1 32 ? -3.791 -13.058 12.009 1.00 96.85 32 A 1 ATOM 280 C CA . SER A 1 32 ? -2.996 -13.926 11.129 1.00 96.97 32 A 1 ATOM 281 C C . SER A 1 32 ? -3.707 -14.216 9.803 1.00 97.30 32 A 1 ATOM 282 O O . SER A 1 32 ? -3.088 -14.129 8.742 1.00 96.61 32 A 1 ATOM 283 C CB . SER A 1 32 ? -2.660 -15.242 11.843 1.00 96.19 32 A 1 ATOM 284 O OG . SER A 1 32 ? -3.835 -15.870 12.318 1.00 83.68 32 A 1 ATOM 285 N N . THR A 1 33 ? -5.014 -14.477 9.822 1.00 97.30 33 A 1 ATOM 286 C CA . THR A 1 33 ? -5.810 -14.674 8.598 1.00 97.28 33 A 1 ATOM 287 C C . THR A 1 33 ? -5.816 -13.410 7.738 1.00 97.51 33 A 1 ATOM 288 O O . THR A 1 33 ? -5.602 -13.479 6.525 1.00 97.18 33 A 1 ATOM 289 C CB . THR A 1 33 ? -7.252 -15.068 8.938 1.00 96.82 33 A 1 ATOM 290 O OG1 . THR A 1 33 ? -7.276 -16.242 9.711 1.00 93.74 33 A 1 ATOM 291 C CG2 . THR A 1 33 ? -8.090 -15.352 7.689 1.00 92.81 33 A 1 ATOM 292 N N . ASN A 1 34 ? -6.009 -12.241 8.347 1.00 97.22 34 A 1 ATOM 293 C CA . ASN A 1 34 ? -5.981 -10.964 7.639 1.00 97.28 34 A 1 ATOM 294 C C . ASN A 1 34 ? -4.579 -10.633 7.105 1.00 97.39 34 A 1 ATOM 295 O O . ASN A 1 34 ? -4.459 -10.156 5.978 1.00 97.17 34 A 1 ATOM 296 C CB . ASN A 1 34 ? -6.535 -9.870 8.566 1.00 97.02 34 A 1 ATOM 297 C CG . ASN A 1 34 ? -8.051 -9.923 8.699 1.00 96.82 34 A 1 ATOM 298 O OD1 . ASN A 1 34 ? -8.761 -10.512 7.892 1.00 94.47 34 A 1 ATOM 299 N ND2 . ASN A 1 34 ? -8.597 -9.259 9.694 1.00 93.96 34 A 1 ATOM 300 N N . TYR A 1 35 ? -3.523 -10.949 7.857 1.00 97.65 35 A 1 ATOM 301 C CA . TYR A 1 35 ? -2.130 -10.804 7.411 1.00 97.66 35 A 1 ATOM 302 C C . TYR A 1 35 ? -1.863 -11.624 6.144 1.00 97.51 35 A 1 ATOM 303 O O . TYR A 1 35 ? -1.413 -11.084 5.131 1.00 97.24 35 A 1 ATOM 304 C CB . TYR A 1 35 ? -1.194 -11.211 8.557 1.00 97.43 35 A 1 ATOM 305 C CG . TYR A 1 35 ? 0.275 -10.993 8.266 1.00 96.10 35 A 1 ATOM 306 C CD1 . TYR A 1 35 ? 1.018 -11.950 7.547 1.00 93.86 35 A 1 ATOM 307 C CD2 . TYR A 1 35 ? 0.909 -9.817 8.720 1.00 94.38 35 A 1 ATOM 308 C CE1 . TYR A 1 35 ? 2.376 -11.733 7.270 1.00 92.78 35 A 1 ATOM 309 C CE2 . TYR A 1 35 ? 2.269 -9.598 8.446 1.00 92.52 35 A 1 ATOM 310 C CZ . TYR A 1 35 ? 2.998 -10.553 7.715 1.00 92.72 35 A 1 ATOM 311 O OH . TYR A 1 35 ? 4.320 -10.333 7.432 1.00 90.02 35 A 1 ATOM 312 N N . ASN A 1 36 ? -2.214 -12.911 6.156 1.00 97.64 36 A 1 ATOM 313 C CA . ASN A 1 36 ? -2.029 -13.794 5.004 1.00 97.50 36 A 1 ATOM 314 C C . ASN A 1 36 ? -2.850 -13.338 3.791 1.00 97.32 36 A 1 ATOM 315 O O . ASN A 1 36 ? -2.362 -13.387 2.663 1.00 96.56 36 A 1 ATOM 316 C CB . ASN A 1 36 ? -2.389 -15.229 5.419 1.00 97.34 36 A 1 ATOM 317 C CG . ASN A 1 36 ? -1.363 -15.833 6.368 1.00 95.18 36 A 1 ATOM 318 O OD1 . ASN A 1 36 ? -0.220 -15.416 6.443 1.00 88.14 36 A 1 ATOM 319 N ND2 . ASN A 1 36 ? -1.741 -16.855 7.105 1.00 88.23 36 A 1 ATOM 320 N N . LYS A 1 37 ? -4.060 -12.824 4.007 1.00 97.05 37 A 1 ATOM 321 C CA . LYS A 1 37 ? -4.904 -12.260 2.944 1.00 96.49 37 A 1 ATOM 322 C C . LYS A 1 37 ? -4.250 -11.056 2.261 1.00 96.64 37 A 1 ATOM 323 O O . LYS A 1 37 ? -4.304 -10.945 1.041 1.00 95.67 37 A 1 ATOM 324 C CB . LYS A 1 37 ? -6.265 -11.899 3.543 1.00 95.54 37 A 1 ATOM 325 C CG . LYS A 1 37 ? -7.290 -11.571 2.454 1.00 89.58 37 A 1 ATOM 326 C CD . LYS A 1 37 ? -8.629 -11.174 3.088 1.00 85.33 37 A 1 ATOM 327 C CE . LYS A 1 37 ? -9.726 -11.102 2.024 1.00 77.97 37 A 1 ATOM 328 N NZ . LYS A 1 37 ? -10.276 -12.443 1.727 1.00 70.07 37 A 1 ATOM 329 N N . VAL A 1 38 ? -3.621 -10.159 3.032 1.00 96.96 38 A 1 ATOM 330 C CA . VAL A 1 38 ? -2.893 -9.005 2.479 1.00 96.94 38 A 1 ATOM 331 C C . VAL A 1 38 ? -1.662 -9.471 1.698 1.00 96.54 38 A 1 ATOM 332 O O . VAL A 1 38 ? -1.469 -9.030 0.565 1.00 96.04 38 A 1 ATOM 333 C CB . VAL A 1 38 ? -2.528 -7.990 3.581 1.00 97.05 38 A 1 ATOM 334 C CG1 . VAL A 1 38 ? -1.650 -6.853 3.055 1.00 96.39 38 A 1 ATOM 335 C CG2 . VAL A 1 38 ? -3.798 -7.340 4.152 1.00 96.13 38 A 1 ATOM 336 N N . ARG A 1 39 ? -0.880 -10.418 2.224 1.00 97.21 39 A 1 ATOM 337 C CA . ARG A 1 39 ? 0.273 -10.980 1.496 1.00 96.77 39 A 1 ATOM 338 C C . ARG A 1 39 ? -0.135 -11.673 0.193 1.00 96.05 39 A 1 ATOM 339 O O . ARG A 1 39 ? 0.540 -11.499 -0.819 1.00 94.60 39 A 1 ATOM 340 C CB . ARG A 1 39 ? 1.062 -11.953 2.377 1.00 96.27 39 A 1 ATOM 341 C CG . ARG A 1 39 ? 1.788 -11.222 3.513 1.00 90.40 39 A 1 ATOM 342 C CD . ARG A 1 39 ? 2.860 -12.112 4.155 1.00 87.33 39 A 1 ATOM 343 N NE . ARG A 1 39 ? 4.049 -12.215 3.289 1.00 79.06 39 A 1 ATOM 344 C CZ . ARG A 1 39 ? 5.010 -13.125 3.368 1.00 72.85 39 A 1 ATOM 345 N NH1 . ARG A 1 39 ? 4.974 -14.087 4.247 1.00 66.65 39 A 1 ATOM 346 N NH2 . ARG A 1 39 ? 6.030 -13.059 2.567 1.00 64.84 39 A 1 ATOM 347 N N . ALA A 1 40 ? -1.249 -12.392 0.177 1.00 96.67 40 A 1 ATOM 348 C CA . ALA A 1 40 ? -1.774 -13.043 -1.025 1.00 96.27 40 A 1 ATOM 349 C C . ALA A 1 40 ? -2.163 -12.047 -2.138 1.00 95.43 40 A 1 ATOM 350 O O . ALA A 1 40 ? -2.195 -12.421 -3.308 1.00 93.26 40 A 1 ATOM 351 C CB . ALA A 1 40 ? -2.966 -13.921 -0.621 1.00 95.91 40 A 1 ATOM 352 N N . SER A 1 41 ? -2.409 -10.778 -1.814 1.00 95.60 41 A 1 ATOM 353 C CA . SER A 1 41 ? -2.620 -9.717 -2.814 1.00 94.60 41 A 1 ATOM 354 C C . SER A 1 41 ? -1.322 -9.068 -3.326 1.00 94.60 41 A 1 ATOM 355 O O . SER A 1 41 ? -1.382 -8.083 -4.059 1.00 92.10 41 A 1 ATOM 356 C CB . SER A 1 41 ? -3.621 -8.674 -2.296 1.00 93.30 41 A 1 ATOM 357 O OG . SER A 1 41 ? -3.112 -7.891 -1.240 1.00 85.81 41 A 1 ATOM 358 N N . GLY A 1 42 ? -0.149 -9.603 -2.948 1.00 94.90 42 A 1 ATOM 359 C CA . GLY A 1 42 ? 1.160 -9.062 -3.330 1.00 94.34 42 A 1 ATOM 360 C C . GLY A 1 42 ? 1.583 -7.818 -2.544 1.00 95.01 42 A 1 ATOM 361 O O . GLY A 1 42 ? 2.476 -7.095 -2.978 1.00 93.18 42 A 1 ATOM 362 N N . ILE A 1 43 ? 0.944 -7.544 -1.402 1.00 96.11 43 A 1 ATOM 363 C CA . ILE A 1 43 ? 1.260 -6.403 -0.534 1.00 96.68 43 A 1 ATOM 364 C C . ILE A 1 43 ? 1.988 -6.914 0.708 1.00 97.06 43 A 1 ATOM 365 O O . ILE A 1 43 ? 1.515 -7.833 1.374 1.00 96.59 43 A 1 ATOM 366 C CB . ILE A 1 43 ? -0.017 -5.619 -0.165 1.00 96.51 43 A 1 ATOM 367 C CG1 . ILE A 1 43 ? -0.682 -5.021 -1.429 1.00 95.74 43 A 1 ATOM 368 C CG2 . ILE A 1 43 ? 0.291 -4.504 0.854 1.00 95.65 43 A 1 ATOM 369 C CD1 . ILE A 1 43 ? -2.080 -4.446 -1.186 1.00 94.88 43 A 1 ATOM 370 N N . GLU A 1 44 ? 3.104 -6.273 1.062 1.00 96.16 44 A 1 ATOM 371 C CA . GLU A 1 44 ? 3.759 -6.526 2.344 1.00 96.32 44 A 1 ATOM 372 C C . GLU A 1 44 ? 3.016 -5.775 3.468 1.00 96.58 44 A 1 ATOM 373 O O . GLU A 1 44 ? 2.961 -4.537 3.456 1.00 96.04 44 A 1 ATOM 374 C CB . GLU A 1 44 ? 5.247 -6.152 2.266 1.00 95.68 44 A 1 ATOM 375 C CG . GLU A 1 44 ? 6.046 -6.553 3.523 1.00 90.15 44 A 1 ATOM 376 C CD . GLU A 1 44 ? 5.975 -8.060 3.860 1.00 85.75 44 A 1 ATOM 377 O OE1 . GLU A 1 44 ? 6.011 -8.397 5.060 1.00 78.20 44 A 1 ATOM 378 O OE2 . GLU A 1 44 ? 5.840 -8.895 2.934 1.00 79.51 44 A 1 ATOM 379 N N . PRO A 1 45 ? 2.415 -6.490 4.444 1.00 97.53 45 A 1 ATOM 380 C CA . PRO A 1 45 ? 1.648 -5.858 5.508 1.00 97.54 45 A 1 ATOM 381 C C . PRO A 1 45 ? 2.478 -4.893 6.357 1.00 97.42 45 A 1 ATOM 382 O O . PRO A 1 45 ? 3.667 -5.098 6.581 1.00 96.69 45 A 1 ATOM 383 C CB . PRO A 1 45 ? 1.109 -7.001 6.366 1.00 97.14 45 A 1 ATOM 384 C CG . PRO A 1 45 ? 1.087 -8.182 5.404 1.00 96.07 45 A 1 ATOM 385 C CD . PRO A 1 45 ? 2.315 -7.934 4.545 1.00 97.23 45 A 1 ATOM 386 N N . ASN A 1 46 ? 1.826 -3.861 6.892 1.00 97.50 46 A 1 ATOM 387 C CA . ASN A 1 46 ? 2.418 -2.856 7.788 1.00 97.35 46 A 1 ATOM 388 C C . ASN A 1 46 ? 3.584 -2.055 7.181 1.00 97.14 46 A 1 ATOM 389 O O . ASN A 1 46 ? 4.246 -1.306 7.902 1.00 95.85 46 A 1 ATOM 390 C CB . ASN A 1 46 ? 2.791 -3.497 9.137 1.00 97.04 46 A 1 ATOM 391 C CG . ASN A 1 46 ? 1.667 -4.318 9.736 1.00 96.28 46 A 1 ATOM 392 O OD1 . ASN A 1 46 ? 0.592 -3.824 10.042 1.00 91.07 46 A 1 ATOM 393 N ND2 . ASN A 1 46 ? 1.873 -5.601 9.921 1.00 91.33 46 A 1 ATOM 394 N N . THR A 1 47 ? 3.830 -2.176 5.873 1.00 97.20 47 A 1 ATOM 395 C CA . THR A 1 47 ? 4.949 -1.539 5.179 1.00 96.83 47 A 1 ATOM 396 C C . THR A 1 47 ? 4.424 -0.570 4.123 1.00 96.92 47 A 1 ATOM 397 O O . THR A 1 47 ? 3.478 -0.878 3.399 1.00 96.10 47 A 1 ATOM 398 C CB . THR A 1 47 ? 5.874 -2.599 4.564 1.00 95.71 47 A 1 ATOM 399 O OG1 . THR A 1 47 ? 6.317 -3.463 5.587 1.00 89.56 47 A 1 ATOM 400 C CG2 . THR A 1 47 ? 7.126 -1.993 3.932 1.00 87.62 47 A 1 ATOM 401 N N . LYS A 1 48 ? 5.026 0.625 4.018 1.00 97.06 48 A 1 ATOM 402 C CA . LYS A 1 48 ? 4.713 1.563 2.931 1.00 96.91 48 A 1 ATOM 403 C C . LYS A 1 48 ? 5.215 0.992 1.602 1.00 96.49 48 A 1 ATOM 404 O O . LYS A 1 48 ? 6.377 0.612 1.479 1.00 95.36 48 A 1 ATOM 405 C CB . LYS A 1 48 ? 5.326 2.958 3.168 1.00 96.37 48 A 1 ATOM 406 C CG . LYS A 1 48 ? 4.644 3.820 4.250 1.00 91.97 48 A 1 ATOM 407 C CD . LYS A 1 48 ? 5.314 5.211 4.285 1.00 90.62 48 A 1 ATOM 408 C CE . LYS A 1 48 ? 4.777 6.173 5.352 1.00 84.59 48 A 1 ATOM 409 N NZ . LYS A 1 48 ? 5.508 7.484 5.330 1.00 78.00 48 A 1 ATOM 410 N N . PHE A 1 49 ? 4.366 1.008 0.577 1.00 97.05 49 A 1 ATOM 411 C CA . PHE A 1 49 ? 4.706 0.682 -0.804 1.00 97.12 49 A 1 ATOM 412 C C . PHE A 1 49 ? 4.260 1.802 -1.747 1.00 97.50 49 A 1 ATOM 413 O O . PHE A 1 49 ? 3.390 2.608 -1.412 1.00 97.40 49 A 1 ATOM 414 C CB . PHE A 1 49 ? 4.109 -0.677 -1.192 1.00 97.01 49 A 1 ATOM 415 C CG . PHE A 1 49 ? 2.598 -0.736 -1.130 1.00 97.38 49 A 1 ATOM 416 C CD1 . PHE A 1 49 ? 1.954 -1.098 0.071 1.00 97.08 49 A 1 ATOM 417 C CD2 . PHE A 1 49 ? 1.827 -0.428 -2.264 1.00 97.16 49 A 1 ATOM 418 C CE1 . PHE A 1 49 ? 0.557 -1.149 0.138 1.00 96.66 49 A 1 ATOM 419 C CE2 . PHE A 1 49 ? 0.424 -0.476 -2.201 1.00 96.77 49 A 1 ATOM 420 C CZ . PHE A 1 49 ? -0.211 -0.836 -0.999 1.00 96.94 49 A 1 ATOM 421 N N . VAL A 1 50 ? 4.885 1.871 -2.927 1.00 96.99 50 A 1 ATOM 422 C CA . VAL A 1 50 ? 4.569 2.883 -3.943 1.00 96.99 50 A 1 ATOM 423 C C . VAL A 1 50 ? 3.303 2.470 -4.691 1.00 97.05 50 A 1 ATOM 424 O O . VAL A 1 50 ? 3.222 1.359 -5.205 1.00 96.54 50 A 1 ATOM 425 C CB . VAL A 1 50 ? 5.749 3.085 -4.914 1.00 96.55 50 A 1 ATOM 426 C CG1 . VAL A 1 50 ? 5.452 4.183 -5.938 1.00 95.12 50 A 1 ATOM 427 C CG2 . VAL A 1 50 ? 7.029 3.487 -4.166 1.00 95.39 50 A 1 ATOM 428 N N . VAL A 1 51 ? 2.328 3.368 -4.777 1.00 97.46 51 A 1 ATOM 429 C CA . VAL A 1 51 ? 1.130 3.198 -5.617 1.00 97.59 51 A 1 ATOM 430 C C . VAL A 1 51 ? 1.365 3.824 -6.983 1.00 97.44 51 A 1 ATOM 431 O O . VAL A 1 51 ? 1.156 3.168 -7.998 1.00 96.97 51 A 1 ATOM 432 C CB . VAL A 1 51 ? -0.110 3.814 -4.950 1.00 97.58 51 A 1 ATOM 433 C CG1 . VAL A 1 51 ? -1.349 3.750 -5.855 1.00 96.99 51 A 1 ATOM 434 C CG2 . VAL A 1 51 ? -0.435 3.089 -3.641 1.00 97.00 51 A 1 ATOM 435 N N . ASN A 1 52 ? 1.815 5.080 -6.999 1.00 97.46 52 A 1 ATOM 436 C CA . ASN A 1 52 ? 2.153 5.818 -8.207 1.00 97.66 52 A 1 ATOM 437 C C . ASN A 1 52 ? 3.386 6.686 -7.919 1.00 97.66 52 A 1 ATOM 438 O O . ASN A 1 52 ? 3.353 7.561 -7.051 1.00 97.45 52 A 1 ATOM 439 C CB . ASN A 1 52 ? 0.923 6.630 -8.639 1.00 97.59 52 A 1 ATOM 440 C CG . ASN A 1 52 ? 1.140 7.393 -9.931 1.00 97.33 52 A 1 ATOM 441 O OD1 . ASN A 1 52 ? 2.118 8.093 -10.110 1.00 95.20 52 A 1 ATOM 442 N ND2 . ASN A 1 52 ? 0.218 7.304 -10.861 1.00 94.67 52 A 1 ATOM 443 N N . LYS A 1 53 ? 4.472 6.423 -8.635 1.00 97.08 53 A 1 ATOM 444 C CA . LYS A 1 53 ? 5.767 7.082 -8.434 1.00 96.70 53 A 1 ATOM 445 C C . LYS A 1 53 ? 5.740 8.527 -8.926 1.00 97.03 53 A 1 ATOM 446 O O . LYS A 1 53 ? 6.216 9.412 -8.214 1.00 96.47 53 A 1 ATOM 447 C CB . LYS A 1 53 ? 6.839 6.245 -9.142 1.00 95.44 53 A 1 ATOM 448 C CG . LYS A 1 53 ? 8.267 6.729 -8.861 1.00 87.50 53 A 1 ATOM 449 C CD . LYS A 1 53 ? 9.244 5.804 -9.597 1.00 85.18 53 A 1 ATOM 450 C CE . LYS A 1 53 ? 10.690 6.261 -9.398 1.00 75.41 53 A 1 ATOM 451 N NZ . LYS A 1 53 ? 11.614 5.419 -10.198 1.00 67.74 53 A 1 ATOM 452 N N . THR A 1 54 ? 5.145 8.771 -10.095 1.00 97.10 54 A 1 ATOM 453 C CA . THR A 1 54 ? 5.032 10.108 -10.696 1.00 96.91 54 A 1 ATOM 454 C C . THR A 1 54 ? 4.189 11.039 -9.829 1.00 97.14 54 A 1 ATOM 455 O O . THR A 1 54 ? 4.565 12.185 -9.585 1.00 96.53 54 A 1 ATOM 456 C CB . THR A 1 54 ? 4.421 10.002 -12.104 1.00 96.01 54 A 1 ATOM 457 O OG1 . THR A 1 54 ? 5.198 9.111 -12.874 1.00 87.28 54 A 1 ATOM 458 C CG2 . THR A 1 54 ? 4.401 11.339 -12.844 1.00 85.39 54 A 1 ATOM 459 N N . ALA A 1 55 ? 3.073 10.541 -9.287 1.00 97.54 55 A 1 ATOM 460 C CA . ALA A 1 55 ? 2.219 11.303 -8.372 1.00 97.64 55 A 1 ATOM 461 C C . ALA A 1 55 ? 2.734 11.334 -6.915 1.00 97.87 55 A 1 ATOM 462 O O . ALA A 1 55 ? 2.124 11.995 -6.068 1.00 97.40 55 A 1 ATOM 463 C CB . ALA A 1 55 ? 0.798 10.742 -8.478 1.00 97.35 55 A 1 ATOM 464 N N . ASN A 1 56 ? 3.828 10.637 -6.615 1.00 97.53 56 A 1 ATOM 465 C CA . ASN A 1 56 ? 4.406 10.459 -5.279 1.00 97.48 56 A 1 ATOM 466 C C . ASN A 1 56 ? 3.387 9.921 -4.251 1.00 97.83 56 A 1 ATOM 467 O O . ASN A 1 56 ? 3.335 10.371 -3.101 1.00 97.35 56 A 1 ATOM 468 C CB . ASN A 1 56 ? 5.134 11.748 -4.864 1.00 96.48 56 A 1 ATOM 469 C CG . ASN A 1 56 ? 6.051 11.563 -3.668 1.00 94.29 56 A 1 ATOM 470 O OD1 . ASN A 1 56 ? 6.445 10.469 -3.295 1.00 88.70 56 A 1 ATOM 471 N ND2 . ASN A 1 56 ? 6.443 12.649 -3.034 1.00 87.06 56 A 1 ATOM 472 N N . ILE A 1 57 ? 2.545 8.969 -4.668 1.00 97.85 57 A 1 ATOM 473 C CA . ILE A 1 57 ? 1.536 8.342 -3.812 1.00 98.04 57 A 1 ATOM 474 C C . ILE A 1 57 ? 2.040 6.999 -3.296 1.00 97.84 57 A 1 ATOM 475 O O . ILE A 1 57 ? 2.392 6.098 -4.058 1.00 97.64 57 A 1 ATOM 476 C CB . ILE A 1 57 ? 0.172 8.222 -4.520 1.00 98.21 57 A 1 ATOM 477 C CG1 . ILE A 1 57 ? -0.381 9.593 -4.962 1.00 97.76 57 A 1 ATOM 478 C CG2 . ILE A 1 57 ? -0.857 7.509 -3.625 1.00 97.89 57 A 1 ATOM 479 C CD1 . ILE A 1 57 ? -0.530 10.642 -3.844 1.00 96.32 57 A 1 ATOM 480 N N . ASN A 1 58 ? 2.010 6.863 -1.974 1.00 98.14 58 A 1 ATOM 481 C CA . ASN A 1 58 ? 2.317 5.635 -1.261 1.00 98.11 58 A 1 ATOM 482 C C . ASN A 1 58 ? 1.085 5.143 -0.493 1.00 98.36 58 A 1 ATOM 483 O O . ASN A 1 58 ? 0.181 5.914 -0.173 1.00 98.17 58 A 1 ATOM 484 C CB . ASN A 1 58 ? 3.519 5.871 -0.330 1.00 97.51 58 A 1 ATOM 485 C CG . ASN A 1 58 ? 4.749 6.374 -1.065 1.00 96.01 58 A 1 ATOM 486 O OD1 . ASN A 1 58 ? 5.346 5.677 -1.867 1.00 87.74 58 A 1 ATOM 487 N ND2 . ASN A 1 58 ? 5.169 7.596 -0.817 1.00 86.03 58 A 1 ATOM 488 N N . CYS A 1 59 ? 1.074 3.855 -0.157 1.00 98.19 59 A 1 ATOM 489 C CA . CYS A 1 59 ? 0.055 3.253 0.695 1.00 98.17 59 A 1 ATOM 490 C C . CYS A 1 59 ? 0.712 2.299 1.692 1.00 98.01 59 A 1 ATOM 491 O O . CYS A 1 59 ? 1.748 1.703 1.399 1.00 97.58 59 A 1 ATOM 492 C CB . CYS A 1 59 ? -0.976 2.556 -0.201 1.00 98.10 59 A 1 ATOM 493 S SG . CYS A 1 59 ? -2.378 1.913 0.764 1.00 97.62 59 A 1 ATOM 494 N N . ALA A 1 60 ? 0.099 2.140 2.855 1.00 98.09 60 A 1 ATOM 495 C CA . ALA A 1 60 ? 0.381 1.039 3.767 1.00 98.13 60 A 1 ATOM 496 C C . ALA A 1 60 ? -0.927 0.327 4.110 1.00 98.16 60 A 1 ATOM 497 O O . ALA A 1 60 ? -1.954 0.978 4.307 1.00 97.85 60 A 1 ATOM 498 C CB . ALA A 1 60 ? 1.098 1.572 5.012 1.00 97.90 60 A 1 ATOM 499 N N . VAL A 1 61 ? -0.896 -1.008 4.174 1.00 98.05 61 A 1 ATOM 500 C CA . VAL A 1 61 ? -2.054 -1.832 4.534 1.00 98.11 61 A 1 ATOM 501 C C . VAL A 1 61 ? -1.792 -2.485 5.885 1.00 98.07 61 A 1 ATOM 502 O O . VAL A 1 61 ? -0.747 -3.102 6.093 1.00 97.81 61 A 1 ATOM 503 C CB . VAL A 1 61 ? -2.386 -2.863 3.443 1.00 97.95 61 A 1 ATOM 504 C CG1 . VAL A 1 61 ? -3.612 -3.699 3.823 1.00 97.33 61 A 1 ATOM 505 C CG2 . VAL A 1 61 ? -2.692 -2.169 2.110 1.00 97.19 61 A 1 ATOM 506 N N . TYR A 1 62 ? -2.747 -2.339 6.799 1.00 97.78 62 A 1 ATOM 507 C CA . TYR A 1 62 ? -2.650 -2.768 8.185 1.00 97.75 62 A 1 ATOM 508 C C . TYR A 1 62 ? -3.689 -3.861 8.471 1.00 97.64 62 A 1 ATOM 509 O O . TYR A 1 62 ? -4.841 -3.549 8.785 1.00 97.11 62 A 1 ATOM 510 C CB . TYR A 1 62 ? -2.824 -1.553 9.100 1.00 97.70 62 A 1 ATOM 511 C CG . TYR A 1 62 ? -1.761 -0.487 8.911 1.00 97.70 62 A 1 ATOM 512 C CD1 . TYR A 1 62 ? -0.472 -0.665 9.446 1.00 96.68 62 A 1 ATOM 513 C CD2 . TYR A 1 62 ? -2.053 0.687 8.186 1.00 96.82 62 A 1 ATOM 514 C CE1 . TYR A 1 62 ? 0.518 0.318 9.269 1.00 96.11 62 A 1 ATOM 515 C CE2 . TYR A 1 62 ? -1.069 1.673 8.002 1.00 96.19 62 A 1 ATOM 516 C CZ . TYR A 1 62 ? 0.217 1.487 8.548 1.00 96.43 62 A 1 ATOM 517 O OH . TYR A 1 62 ? 1.182 2.447 8.373 1.00 95.40 62 A 1 ATOM 518 N N . PRO A 1 63 ? -3.318 -5.154 8.370 1.00 97.87 63 A 1 ATOM 519 C CA . PRO A 1 63 ? -4.165 -6.233 8.851 1.00 97.71 63 A 1 ATOM 520 C C . PRO A 1 63 ? -4.168 -6.243 10.387 1.00 97.35 63 A 1 ATOM 521 O O . PRO A 1 63 ? -3.118 -6.208 11.035 1.00 96.32 63 A 1 ATOM 522 C CB . PRO A 1 63 ? -3.563 -7.504 8.254 1.00 97.41 63 A 1 ATOM 523 C CG . PRO A 1 63 ? -2.076 -7.174 8.137 1.00 96.86 63 A 1 ATOM 524 C CD . PRO A 1 63 ? -2.065 -5.678 7.841 1.00 97.75 63 A 1 ATOM 525 N N . ARG A 1 64 ? -5.360 -6.292 10.975 1.00 96.64 64 A 1 ATOM 526 C CA . ARG A 1 64 ? -5.600 -6.372 12.421 1.00 96.34 64 A 1 ATOM 527 C C . ARG A 1 64 ? -6.618 -7.474 12.702 1.00 96.76 64 A 1 ATOM 528 O O . ARG A 1 64 ? -7.215 -8.032 11.770 1.00 95.84 64 A 1 ATOM 529 C CB . ARG A 1 64 ? -6.079 -5.006 12.949 1.00 94.80 64 A 1 ATOM 530 C CG . ARG A 1 64 ? -5.075 -3.848 12.760 1.00 91.38 64 A 1 ATOM 531 C CD . ARG A 1 64 ? -3.808 -4.023 13.616 1.00 87.20 64 A 1 ATOM 532 N NE . ARG A 1 64 ? -2.845 -2.929 13.380 1.00 80.96 64 A 1 ATOM 533 C CZ . ARG A 1 64 ? -1.779 -2.962 12.590 1.00 75.82 64 A 1 ATOM 534 N NH1 . ARG A 1 64 ? -1.459 -4.019 11.899 1.00 70.10 64 A 1 ATOM 535 N NH2 . ARG A 1 64 ? -1.005 -1.918 12.480 1.00 68.91 64 A 1 ATOM 536 N N . HIS A 1 65 ? -6.825 -7.799 13.956 1.00 96.54 65 A 1 ATOM 537 C CA . HIS A 1 65 ? -7.960 -8.630 14.333 1.00 96.74 65 A 1 ATOM 538 C C . HIS A 1 65 ? -9.264 -7.905 13.977 1.00 96.59 65 A 1 ATOM 539 O O . HIS A 1 65 ? -9.472 -6.766 14.389 1.00 94.53 65 A 1 ATOM 540 C CB . HIS A 1 65 ? -7.878 -8.970 15.826 1.00 96.13 65 A 1 ATOM 541 C CG . HIS A 1 65 ? -8.986 -9.900 16.237 1.00 93.90 65 A 1 ATOM 542 N ND1 . HIS A 1 65 ? -8.964 -11.274 16.170 1.00 81.90 65 A 1 ATOM 543 C CD2 . HIS A 1 65 ? -10.230 -9.545 16.689 1.00 81.61 65 A 1 ATOM 544 C CE1 . HIS A 1 65 ? -10.164 -11.733 16.571 1.00 83.41 65 A 1 ATOM 545 N NE2 . HIS A 1 65 ? -10.961 -10.713 16.894 1.00 84.51 65 A 1 ATOM 546 N N . GLY A 1 66 ? -10.110 -8.536 13.168 1.00 96.62 66 A 1 ATOM 547 C CA . GLY A 1 66 ? -11.413 -7.996 12.778 1.00 96.45 66 A 1 ATOM 548 C C . GLY A 1 66 ? -11.412 -6.917 11.691 1.00 96.72 66 A 1 ATOM 549 O O . GLY A 1 66 ? -12.498 -6.512 11.274 1.00 94.71 66 A 1 ATOM 550 N N . SER A 1 67 ? -10.251 -6.457 11.188 1.00 96.67 67 A 1 ATOM 551 C CA . SER A 1 67 ? -10.195 -5.425 10.144 1.00 96.88 67 A 1 ATOM 552 C C . SER A 1 67 ? -8.949 -5.497 9.255 1.00 97.07 67 A 1 ATOM 553 O O . SER A 1 67 ? -7.903 -6.012 9.638 1.00 96.64 67 A 1 ATOM 554 C CB . SER A 1 67 ? -10.333 -4.017 10.754 1.00 96.07 67 A 1 ATOM 555 O OG . SER A 1 67 ? -9.187 -3.622 11.490 1.00 93.91 67 A 1 ATOM 556 N N . ILE A 1 68 ? -9.072 -4.955 8.032 1.00 96.87 68 A 1 ATOM 557 C CA . ILE A 1 68 ? -7.937 -4.606 7.170 1.00 97.08 68 A 1 ATOM 558 C C . ILE A 1 68 ? -8.109 -3.143 6.782 1.00 96.74 68 A 1 ATOM 559 O O . ILE A 1 68 ? -9.072 -2.784 6.108 1.00 95.95 68 A 1 ATOM 560 C CB . ILE A 1 68 ? -7.834 -5.511 5.925 1.00 97.22 68 A 1 ATOM 561 C CG1 . ILE A 1 68 ? -7.685 -6.997 6.324 1.00 96.82 68 A 1 ATOM 562 C CG2 . ILE A 1 68 ? -6.651 -5.058 5.045 1.00 96.31 68 A 1 ATOM 563 C CD1 . ILE A 1 68 ? -7.664 -7.981 5.145 1.00 96.46 68 A 1 ATOM 564 N N . GLU A 1 69 ? -7.166 -2.299 7.192 1.00 97.10 69 A 1 ATOM 565 C CA . GLU A 1 69 ? -7.174 -0.865 6.927 1.00 96.93 69 A 1 ATOM 566 C C . GLU A 1 69 ? -6.075 -0.498 5.941 1.00 97.30 69 A 1 ATOM 567 O O . GLU A 1 69 ? -5.008 -1.109 5.918 1.00 96.81 69 A 1 ATOM 568 C CB . GLU A 1 69 ? -7.009 -0.087 8.232 1.00 95.58 69 A 1 ATOM 569 C CG . GLU A 1 69 ? -8.212 -0.290 9.153 1.00 83.15 69 A 1 ATOM 570 C CD . GLU A 1 69 ? -8.081 0.434 10.493 1.00 79.77 69 A 1 ATOM 571 O OE1 . GLU A 1 69 ? -9.087 0.408 11.233 1.00 73.20 69 A 1 ATOM 572 O OE2 . GLU A 1 69 ? -6.986 0.971 10.781 1.00 73.36 69 A 1 ATOM 573 N N . LYS A 1 70 ? -6.314 0.526 5.123 1.00 97.21 70 A 1 ATOM 574 C CA . LYS A 1 70 ? -5.291 1.109 4.257 1.00 97.30 70 A 1 ATOM 575 C C . LYS A 1 70 ? -5.163 2.602 4.525 1.00 97.82 70 A 1 ATOM 576 O O . LYS A 1 70 ? -6.152 3.296 4.739 1.00 97.45 70 A 1 ATOM 577 C CB . LYS A 1 70 ? -5.546 0.761 2.775 1.00 95.42 70 A 1 ATOM 578 C CG . LYS A 1 70 ? -6.861 1.325 2.228 1.00 92.86 70 A 1 ATOM 579 C CD . LYS A 1 70 ? -7.120 0.843 0.795 1.00 93.63 70 A 1 ATOM 580 C CE . LYS A 1 70 ? -8.455 1.400 0.315 1.00 91.89 70 A 1 ATOM 581 N NZ . LYS A 1 70 ? -8.826 0.936 -1.041 1.00 92.27 70 A 1 ATOM 582 N N . VAL A 1 71 ? -3.918 3.090 4.506 1.00 98.18 71 A 1 ATOM 583 C CA . VAL A 1 71 ? -3.579 4.494 4.742 1.00 98.35 71 A 1 ATOM 584 C C . VAL A 1 71 ? -2.750 4.988 3.570 1.00 98.46 71 A 1 ATOM 585 O O . VAL A 1 71 ? -1.744 4.373 3.228 1.00 98.24 71 A 1 ATOM 586 C CB . VAL A 1 71 ? -2.829 4.671 6.071 1.00 98.10 71 A 1 ATOM 587 C CG1 . VAL A 1 71 ? -2.495 6.145 6.310 1.00 96.65 71 A 1 ATOM 588 C CG2 . VAL A 1 71 ? -3.669 4.187 7.259 1.00 96.83 71 A 1 ATOM 589 N N . PHE A 1 72 ? -3.172 6.094 2.955 1.00 98.67 72 A 1 ATOM 590 C CA . PHE A 1 72 ? -2.495 6.711 1.822 1.00 98.76 72 A 1 ATOM 591 C C . PHE A 1 72 ? -1.616 7.876 2.262 1.00 98.79 72 A 1 ATOM 592 O O . PHE A 1 72 ? -1.899 8.565 3.246 1.00 98.67 72 A 1 ATOM 593 C CB . PHE A 1 72 ? -3.516 7.146 0.770 1.00 98.68 72 A 1 ATOM 594 C CG . PHE A 1 72 ? -4.213 5.984 0.106 1.00 98.65 72 A 1 ATOM 595 C CD1 . PHE A 1 72 ? -3.637 5.361 -1.019 1.00 98.25 72 A 1 ATOM 596 C CD2 . PHE A 1 72 ? -5.432 5.504 0.622 1.00 98.29 72 A 1 ATOM 597 C CE1 . PHE A 1 72 ? -4.279 4.278 -1.635 1.00 97.96 72 A 1 ATOM 598 C CE2 . PHE A 1 72 ? -6.073 4.415 0.009 1.00 97.91 72 A 1 ATOM 599 C CZ . PHE A 1 72 ? -5.498 3.806 -1.122 1.00 97.94 72 A 1 ATOM 600 N N . TYR A 1 73 ? -0.555 8.098 1.500 1.00 98.67 73 A 1 ATOM 601 C CA . TYR A 1 73 ? 0.413 9.161 1.723 1.00 98.67 73 A 1 ATOM 602 C C . TYR A 1 73 ? 0.764 9.835 0.402 1.00 98.65 73 A 1 ATOM 603 O O . TYR A 1 73 ? 0.949 9.168 -0.615 1.00 98.41 73 A 1 ATOM 604 C CB . TYR A 1 73 ? 1.675 8.590 2.376 1.00 98.53 73 A 1 ATOM 605 C CG . TYR A 1 73 ? 1.441 7.872 3.688 1.00 98.41 73 A 1 ATOM 606 C CD1 . TYR A 1 73 ? 1.549 8.563 4.908 1.00 97.67 73 A 1 ATOM 607 C CD2 . TYR A 1 73 ? 1.109 6.500 3.697 1.00 97.80 73 A 1 ATOM 608 C CE1 . TYR A 1 73 ? 1.336 7.899 6.124 1.00 97.02 73 A 1 ATOM 609 C CE2 . TYR A 1 73 ? 0.889 5.828 4.909 1.00 97.12 73 A 1 ATOM 610 C CZ . TYR A 1 73 ? 1.006 6.532 6.124 1.00 97.16 73 A 1 ATOM 611 O OH . TYR A 1 73 ? 0.796 5.878 7.311 1.00 95.76 73 A 1 ATOM 612 N N . TRP A 1 74 ? 0.905 11.158 0.413 1.00 98.63 74 A 1 ATOM 613 C CA . TRP A 1 74 ? 1.579 11.938 -0.620 1.00 98.63 74 A 1 ATOM 614 C C . TRP A 1 74 ? 2.943 12.364 -0.066 1.00 98.52 74 A 1 ATOM 615 O O . TRP A 1 74 ? 3.020 13.219 0.820 1.00 97.80 74 A 1 ATOM 616 C CB . TRP A 1 74 ? 0.715 13.130 -1.031 1.00 98.40 74 A 1 ATOM 617 C CG . TRP A 1 74 ? 1.366 14.064 -2.003 1.00 97.25 74 A 1 ATOM 618 C CD1 . TRP A 1 74 ? 2.216 13.711 -3.003 1.00 93.39 74 A 1 ATOM 619 C CD2 . TRP A 1 74 ? 1.255 15.519 -2.067 1.00 95.24 74 A 1 ATOM 620 N NE1 . TRP A 1 74 ? 2.642 14.854 -3.677 1.00 91.69 74 A 1 ATOM 621 C CE2 . TRP A 1 74 ? 2.072 15.979 -3.139 1.00 94.12 74 A 1 ATOM 622 C CE3 . TRP A 1 74 ? 0.539 16.482 -1.323 1.00 90.19 74 A 1 ATOM 623 C CZ2 . TRP A 1 74 ? 2.186 17.350 -3.458 1.00 90.64 74 A 1 ATOM 624 C CZ3 . TRP A 1 74 ? 0.645 17.848 -1.641 1.00 87.26 74 A 1 ATOM 625 C CH2 . TRP A 1 74 ? 1.465 18.276 -2.701 1.00 87.33 74 A 1 ATOM 626 N N . GLY A 1 75 ? 4.006 11.707 -0.536 1.00 97.48 75 A 1 ATOM 627 C CA . GLY A 1 75 ? 5.288 11.704 0.159 1.00 96.78 75 A 1 ATOM 628 C C . GLY A 1 75 ? 5.117 11.124 1.567 1.00 96.69 75 A 1 ATOM 629 O O . GLY A 1 75 ? 4.659 9.985 1.721 1.00 95.03 75 A 1 ATOM 630 N N . ASP A 1 76 ? 5.412 11.919 2.595 1.00 96.47 76 A 1 ATOM 631 C CA . ASP A 1 76 ? 5.223 11.528 4.002 1.00 96.04 76 A 1 ATOM 632 C C . ASP A 1 76 ? 3.916 12.039 4.622 1.00 96.69 76 A 1 ATOM 633 O O . ASP A 1 76 ? 3.521 11.608 5.709 1.00 94.94 76 A 1 ATOM 634 C CB . ASP A 1 76 ? 6.449 11.953 4.813 1.00 93.65 76 A 1 ATOM 635 C CG . ASP A 1 76 ? 7.643 11.082 4.427 1.00 88.88 76 A 1 ATOM 636 O OD1 . ASP A 1 76 ? 7.452 9.829 4.447 1.00 83.03 76 A 1 ATOM 637 O OD2 . ASP A 1 76 ? 8.694 11.660 4.092 1.00 82.15 76 A 1 ATOM 638 N N . ARG A 1 77 ? 3.182 12.913 3.926 1.00 97.97 77 A 1 ATOM 639 C CA . ARG A 1 77 ? 1.917 13.459 4.414 1.00 98.22 77 A 1 ATOM 640 C C . ARG A 1 77 ? 0.794 12.442 4.241 1.00 98.48 77 A 1 ATOM 641 O O . ARG A 1 77 ? 0.492 12.039 3.120 1.00 98.08 77 A 1 ATOM 642 C CB . ARG A 1 77 ? 1.615 14.785 3.700 1.00 97.33 77 A 1 ATOM 643 C CG . ARG A 1 77 ? 0.356 15.460 4.252 1.00 84.71 77 A 1 ATOM 644 C CD . ARG A 1 77 ? 0.117 16.808 3.569 1.00 83.95 77 A 1 ATOM 645 N NE . ARG A 1 77 ? -1.123 17.437 4.049 1.00 72.05 77 A 1 ATOM 646 C CZ . ARG A 1 77 ? -1.527 18.672 3.794 1.00 65.70 77 A 1 ATOM 647 N NH1 . ARG A 1 77 ? -0.827 19.477 3.047 1.00 59.93 77 A 1 ATOM 648 N NH2 . ARG A 1 77 ? -2.646 19.117 4.291 1.00 54.81 77 A 1 ATOM 649 N N . LYS A 1 78 ? 0.118 12.085 5.341 1.00 98.54 78 A 1 ATOM 650 C CA . LYS A 1 78 ? -1.102 11.268 5.295 1.00 98.64 78 A 1 ATOM 651 C C . LYS A 1 78 ? -2.216 12.019 4.562 1.00 98.74 78 A 1 ATOM 652 O O . LYS A 1 78 ? -2.459 13.193 4.839 1.00 98.48 78 A 1 ATOM 653 C CB . LYS A 1 78 ? -1.510 10.865 6.722 1.00 98.20 78 A 1 ATOM 654 C CG . LYS A 1 78 ? -2.662 9.844 6.728 1.00 91.36 78 A 1 ATOM 655 C CD . LYS A 1 78 ? -3.111 9.455 8.148 1.00 90.66 78 A 1 ATOM 656 C CE . LYS A 1 78 ? -2.051 8.640 8.900 1.00 81.37 78 A 1 ATOM 657 N NZ . LYS A 1 78 ? -2.538 8.207 10.235 1.00 74.58 78 A 1 ATOM 658 N N . ILE A 1 79 ? -2.896 11.336 3.639 1.00 98.71 79 A 1 ATOM 659 C CA . ILE A 1 79 ? -4.000 11.880 2.833 1.00 98.72 79 A 1 ATOM 660 C C . ILE A 1 79 ? -5.193 10.916 2.815 1.00 98.72 79 A 1 ATOM 661 O O . ILE A 1 79 ? -5.074 9.748 3.195 1.00 98.58 79 A 1 ATOM 662 C CB . ILE A 1 79 ? -3.533 12.229 1.397 1.00 98.67 79 A 1 ATOM 663 C CG1 . ILE A 1 79 ? -2.974 11.001 0.652 1.00 98.30 79 A 1 ATOM 664 C CG2 . ILE A 1 79 ? -2.517 13.383 1.427 1.00 97.03 79 A 1 ATOM 665 C CD1 . ILE A 1 79 ? -2.719 11.247 -0.841 1.00 97.78 79 A 1 ATOM 666 N N . THR A 1 80 ? -6.349 11.401 2.358 1.00 98.37 80 A 1 ATOM 667 C CA . THR A 1 80 ? -7.528 10.553 2.150 1.00 98.27 80 A 1 ATOM 668 C C . THR A 1 80 ? -7.372 9.700 0.891 1.00 98.30 80 A 1 ATOM 669 O O . THR A 1 80 ? -6.619 10.047 -0.024 1.00 98.08 80 A 1 ATOM 670 C CB . THR A 1 80 ? -8.824 11.373 2.067 1.00 98.00 80 A 1 ATOM 671 O OG1 . THR A 1 80 ? -8.833 12.168 0.911 1.00 96.08 80 A 1 ATOM 672 C CG2 . THR A 1 80 ? -9.020 12.290 3.275 1.00 95.26 80 A 1 ATOM 673 N N . GLN A 1 81 ? -8.118 8.589 0.800 1.00 98.02 81 A 1 ATOM 674 C CA . GLN A 1 81 ? -8.163 7.778 -0.415 1.00 97.90 81 A 1 ATOM 675 C C . GLN A 1 81 ? -8.645 8.596 -1.619 1.00 97.97 81 A 1 ATOM 676 O O . GLN A 1 81 ? -7.999 8.552 -2.659 1.00 97.79 81 A 1 ATOM 677 C CB . GLN A 1 81 ? -9.026 6.527 -0.191 1.00 97.38 81 A 1 ATOM 678 C CG . GLN A 1 81 ? -9.101 5.685 -1.470 1.00 96.48 81 A 1 ATOM 679 C CD . GLN A 1 81 ? -9.782 4.333 -1.286 1.00 95.89 81 A 1 ATOM 680 O OE1 . GLN A 1 81 ? -9.697 3.683 -0.255 1.00 92.38 81 A 1 ATOM 681 N NE2 . GLN A 1 81 ? -10.448 3.837 -2.308 1.00 91.26 81 A 1 ATOM 682 N N . ALA A 1 82 ? -9.692 9.415 -1.470 1.00 97.67 82 A 1 ATOM 683 C CA . ALA A 1 82 ? -10.200 10.266 -2.550 1.00 97.50 82 A 1 ATOM 684 C C . ALA A 1 82 ? -9.128 11.224 -3.105 1.00 97.80 82 A 1 ATOM 685 O O . ALA A 1 82 ? -9.016 11.427 -4.313 1.00 97.51 82 A 1 ATOM 686 C CB . ALA A 1 82 ? -11.403 11.047 -2.007 1.00 96.93 82 A 1 ATOM 687 N N . THR A 1 83 ? -8.273 11.787 -2.238 1.00 98.16 83 A 1 ATOM 688 C CA . THR A 1 83 ? -7.141 12.616 -2.674 1.00 98.33 83 A 1 ATOM 689 C C . THR A 1 83 ? -6.104 11.791 -3.434 1.00 98.39 83 A 1 ATOM 690 O O . THR A 1 83 ? -5.565 12.265 -4.434 1.00 98.25 83 A 1 ATOM 691 C CB . THR A 1 83 ? -6.472 13.313 -1.480 1.00 98.29 83 A 1 ATOM 692 O OG1 . THR A 1 83 ? -7.413 14.071 -0.758 1.00 96.33 83 A 1 ATOM 693 C CG2 . THR A 1 83 ? -5.366 14.282 -1.901 1.00 95.49 83 A 1 ATOM 694 N N . ALA A 1 84 ? -5.814 10.564 -2.989 1.00 98.42 84 A 1 ATOM 695 C CA . ALA A 1 84 ? -4.888 9.666 -3.674 1.00 98.45 84 A 1 ATOM 696 C C . ALA A 1 84 ? -5.420 9.251 -5.053 1.00 98.43 84 A 1 ATOM 697 O O . ALA A 1 84 ? -4.677 9.328 -6.030 1.00 98.29 84 A 1 ATOM 698 C CB . ALA A 1 84 ? -4.601 8.455 -2.778 1.00 98.44 84 A 1 ATOM 699 N N . GLU A 1 85 ? -6.701 8.888 -5.150 1.00 98.32 85 A 1 ATOM 700 C CA . GLU A 1 85 ? -7.390 8.537 -6.402 1.00 98.26 85 A 1 ATOM 701 C C . GLU A 1 85 ? -7.283 9.677 -7.422 1.00 98.18 85 A 1 ATOM 702 O O . GLU A 1 85 ? -6.759 9.481 -8.520 1.00 97.86 85 A 1 ATOM 703 C CB . GLU A 1 85 ? -8.869 8.213 -6.110 1.00 98.04 85 A 1 ATOM 704 C CG . GLU A 1 85 ? -9.038 6.866 -5.396 1.00 97.24 85 A 1 ATOM 705 C CD . GLU A 1 85 ? -10.447 6.606 -4.838 1.00 96.55 85 A 1 ATOM 706 O OE1 . GLU A 1 85 ? -10.672 5.477 -4.335 1.00 93.64 85 A 1 ATOM 707 O OE2 . GLU A 1 85 ? -11.278 7.540 -4.804 1.00 93.62 85 A 1 ATOM 708 N N . LYS A 1 86 ? -7.654 10.907 -7.023 1.00 98.11 86 A 1 ATOM 709 C CA . LYS A 1 86 ? -7.559 12.098 -7.876 1.00 97.99 86 A 1 ATOM 710 C C . LYS A 1 86 ? -6.136 12.338 -8.388 1.00 97.99 86 A 1 ATOM 711 O O . LYS A 1 86 ? -5.943 12.665 -9.554 1.00 97.36 86 A 1 ATOM 712 C CB . LYS A 1 86 ? -8.096 13.318 -7.107 1.00 97.55 86 A 1 ATOM 713 C CG . LYS A 1 86 ? -8.120 14.583 -7.985 1.00 87.75 86 A 1 ATOM 714 C CD . LYS A 1 86 ? -8.742 15.778 -7.249 1.00 85.29 86 A 1 ATOM 715 C CE . LYS A 1 86 ? -8.749 16.999 -8.185 1.00 75.08 86 A 1 ATOM 716 N NZ . LYS A 1 86 ? -9.405 18.188 -7.576 1.00 68.28 86 A 1 ATOM 717 N N . ARG A 1 87 ? -5.125 12.180 -7.519 1.00 98.20 87 A 1 ATOM 718 C CA . ARG A 1 87 ? -3.715 12.384 -7.899 1.00 98.13 87 A 1 ATOM 719 C C . ARG A 1 87 ? -3.176 11.294 -8.819 1.00 98.15 87 A 1 ATOM 720 O O . ARG A 1 87 ? -2.279 11.567 -9.613 1.00 97.38 87 A 1 ATOM 721 C CB . ARG A 1 87 ? -2.838 12.491 -6.651 1.00 97.85 87 A 1 ATOM 722 C CG . ARG A 1 87 ? -3.087 13.799 -5.879 1.00 95.34 87 A 1 ATOM 723 C CD . ARG A 1 87 ? -2.100 13.917 -4.703 1.00 91.37 87 A 1 ATOM 724 N NE . ARG A 1 87 ? -0.739 14.203 -5.196 1.00 86.00 87 A 1 ATOM 725 C CZ . ARG A 1 87 ? -0.265 15.386 -5.549 1.00 81.01 87 A 1 ATOM 726 N NH1 . ARG A 1 87 ? -0.941 16.485 -5.357 1.00 73.12 87 A 1 ATOM 727 N NH2 . ARG A 1 87 ? 0.906 15.482 -6.120 1.00 75.29 87 A 1 ATOM 728 N N . CYS A 1 88 ? -3.702 10.072 -8.729 1.00 98.02 88 A 1 ATOM 729 C CA . CYS A 1 88 ? -3.344 8.950 -9.593 1.00 97.84 88 A 1 ATOM 730 C C . CYS A 1 88 ? -4.156 8.913 -10.899 1.00 97.52 88 A 1 ATOM 731 O O . CYS A 1 88 ? -3.964 7.993 -11.692 1.00 96.40 88 A 1 ATOM 732 C CB . CYS A 1 88 ? -3.490 7.644 -8.804 1.00 97.73 88 A 1 ATOM 733 S SG . CYS A 1 88 ? -2.282 7.583 -7.438 1.00 97.14 88 A 1 ATOM 734 N N . GLY A 1 89 ? -5.075 9.863 -11.123 1.00 97.33 89 A 1 ATOM 735 C CA . GLY A 1 89 ? -5.973 9.846 -12.280 1.00 96.75 89 A 1 ATOM 736 C C . GLY A 1 89 ? -6.941 8.659 -12.276 1.00 96.91 89 A 1 ATOM 737 O O . GLY A 1 89 ? -7.376 8.218 -13.336 1.00 95.06 89 A 1 ATOM 738 N N . TYR A 1 90 ? -7.238 8.101 -11.090 1.00 96.84 90 A 1 ATOM 739 C CA . TYR A 1 90 ? -8.205 7.017 -10.958 1.00 96.30 90 A 1 ATOM 740 C C . TYR A 1 90 ? -9.613 7.595 -10.854 1.00 94.98 90 A 1 ATOM 741 O O . TYR A 1 90 ? -9.945 8.298 -9.897 1.00 92.35 90 A 1 ATOM 742 C CB . TYR A 1 90 ? -7.861 6.136 -9.759 1.00 95.98 90 A 1 ATOM 743 C CG . TYR A 1 90 ? -8.837 4.998 -9.552 1.00 95.82 90 A 1 ATOM 744 C CD1 . TYR A 1 90 ? -9.864 5.104 -8.594 1.00 94.07 90 A 1 ATOM 745 C CD2 . TYR A 1 90 ? -8.740 3.834 -10.337 1.00 94.50 90 A 1 ATOM 746 C CE1 . TYR A 1 90 ? -10.778 4.055 -8.412 1.00 93.06 90 A 1 ATOM 747 C CE2 . TYR A 1 90 ? -9.650 2.779 -10.163 1.00 93.32 90 A 1 ATOM 748 C CZ . TYR A 1 90 ? -10.668 2.892 -9.196 1.00 93.17 90 A 1 ATOM 749 O OH . TYR A 1 90 ? -11.553 1.863 -9.013 1.00 91.39 90 A 1 ATOM 750 N N . PHE A 1 91 ? -10.444 7.272 -11.830 1.00 93.72 91 A 1 ATOM 751 C CA . PHE A 1 91 ? -11.865 7.596 -11.835 1.00 91.29 91 A 1 ATOM 752 C C . PHE A 1 91 ? -12.626 6.284 -11.747 1.00 90.45 91 A 1 ATOM 753 O O . PHE A 1 91 ? -12.409 5.375 -12.549 1.00 85.83 91 A 1 ATOM 754 C CB . PHE A 1 91 ? -12.213 8.411 -13.081 1.00 87.21 91 A 1 ATOM 755 C CG . PHE A 1 91 ? -11.420 9.700 -13.177 1.00 75.49 91 A 1 ATOM 756 C CD1 . PHE A 1 91 ? -11.806 10.828 -12.430 1.00 69.48 91 A 1 ATOM 757 C CD2 . PHE A 1 91 ? -10.258 9.761 -13.969 1.00 68.09 91 A 1 ATOM 758 C CE1 . PHE A 1 91 ? -11.037 12.002 -12.477 1.00 59.47 91 A 1 ATOM 759 C CE2 . PHE A 1 91 ? -9.487 10.935 -14.012 1.00 60.37 91 A 1 ATOM 760 C CZ . PHE A 1 91 ? -9.879 12.056 -13.263 1.00 56.49 91 A 1 ATOM 761 N N . LYS A 1 92 ? -13.502 6.162 -10.743 1.00 89.60 92 A 1 ATOM 762 C CA . LYS A 1 92 ? -14.420 5.038 -10.649 1.00 85.76 92 A 1 ATOM 763 C C . LYS A 1 92 ? -15.456 5.214 -11.754 1.00 81.55 92 A 1 ATOM 764 O O . LYS A 1 92 ? -16.195 6.192 -11.729 1.00 70.25 92 A 1 ATOM 765 C CB . LYS A 1 92 ? -15.012 4.999 -9.236 1.00 80.15 92 A 1 ATOM 766 C CG . LYS A 1 92 ? -15.686 3.663 -8.964 1.00 70.87 92 A 1 ATOM 767 C CD . LYS A 1 92 ? -16.197 3.626 -7.526 1.00 67.76 92 A 1 ATOM 768 C CE . LYS A 1 92 ? -16.832 2.270 -7.269 1.00 61.20 92 A 1 ATOM 769 N NZ . LYS A 1 92 ? -17.401 2.204 -5.907 1.00 54.83 92 A 1 ATOM 770 N N . GLY A 1 93 ? -15.435 4.312 -12.741 1.00 73.18 93 A 1 ATOM 771 C CA . GLY A 1 93 ? -16.485 4.230 -13.754 1.00 67.78 93 A 1 ATOM 772 C C . GLY A 1 93 ? -17.798 3.736 -13.166 1.00 61.61 93 A 1 ATOM 773 O O . GLY A 1 93 ? -17.773 3.110 -12.083 1.00 54.93 93 A 1 ATOM 774 O OXT . GLY A 1 93 ? -18.843 3.978 -13.820 1.00 59.69 93 A 1 #