# 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_orf126 # _entry.id orf126 # 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 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "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 THR 2 1 n ILE 3 1 n ASP 4 1 n TYR 5 1 n ARG 6 1 n ARG 7 1 n THR 8 1 n TYR 9 1 n PHE 10 1 n PHE 11 1 n ASP 12 1 n THR 13 1 n LYS 14 1 n ARG 15 1 n LYS 16 1 n VAL 17 1 n ASN 18 1 n ASN 19 1 n ILE 20 1 n ILE 21 1 n SER 22 1 n GLY 23 1 n ILE 24 1 n ALA 25 1 n SER 26 1 n LEU 27 1 n ASP 28 1 n ILE 29 1 n MET 30 1 n ILE 31 1 n TYR 32 1 n ALA 33 1 n ILE 34 1 n GLN 35 1 n GLY 36 1 n LYS 37 1 n ALA 38 1 n GLY 39 1 n LYS 40 1 n GLU 41 1 n VAL 42 1 n LEU 43 1 n ALA 44 1 n GLU 45 1 n ILE 46 1 n LEU 47 1 n SER 48 1 n GLU 49 1 n ARG 50 1 n ASN 51 1 n ILE 52 1 n ALA 53 1 n ILE 54 1 n PRO 55 1 n PRO 56 1 n THR 57 1 n LEU 58 1 n ARG 59 1 n CYS 60 1 n LEU 61 1 n THR 62 1 n PRO 63 1 n GLU 64 1 n GLU 65 1 n LEU 66 1 n LYS 67 1 n ALA 68 1 n LEU 69 1 n ALA 70 1 n PHE 71 1 n VAL 72 1 n VAL 73 1 n CYS 74 1 n LYS 75 1 n SER 76 1 n GLN 77 1 n LEU 78 1 n LYS 79 1 n THR 80 1 n THR 81 1 n THR 82 1 n VAL 83 1 n GLY 84 1 n GLY 85 1 n ARG 86 1 n MET 87 1 n LYS 88 1 n VAL 89 1 n VAL 90 1 n LEU 91 1 n ARG 92 1 n VAL 93 1 n LEU 94 1 n LEU 95 1 n LEU 96 1 n ILE 97 1 n THR 98 1 n HIS 99 # _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 01:40:54)" _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 44.82 _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 40.70 1 1 A THR 2 2 41.44 1 2 A ILE 3 2 37.43 1 3 A ASP 4 2 37.95 1 4 A TYR 5 2 37.46 1 5 A ARG 6 2 39.67 1 6 A ARG 7 2 35.95 1 7 A THR 8 2 39.14 1 8 A TYR 9 2 33.44 1 9 A PHE 10 2 36.48 1 10 A PHE 11 2 36.07 1 11 A ASP 12 2 42.83 1 12 A THR 13 2 45.60 1 13 A LYS 14 2 46.30 1 14 A ARG 15 2 47.73 1 15 A LYS 16 2 45.89 1 16 A VAL 17 2 47.49 1 17 A ASN 18 2 45.77 1 18 A ASN 19 2 49.74 1 19 A ILE 20 2 48.06 1 20 A ILE 21 2 45.27 1 21 A SER 22 2 50.48 1 22 A GLY 23 2 54.17 1 23 A ILE 24 2 47.96 1 24 A ALA 25 2 49.59 1 25 A SER 26 2 45.10 1 26 A LEU 27 2 48.25 1 27 A ASP 28 2 47.67 1 28 A ILE 29 2 42.07 1 29 A MET 30 2 44.58 1 30 A ILE 31 2 48.22 1 31 A TYR 32 2 38.25 1 32 A ALA 33 2 41.10 1 33 A ILE 34 2 40.89 1 34 A GLN 35 2 41.26 1 35 A GLY 36 2 42.35 1 36 A LYS 37 2 36.06 1 37 A ALA 38 2 40.76 1 38 A GLY 39 2 46.96 1 39 A LYS 40 2 41.65 1 40 A GLU 41 2 47.89 1 41 A VAL 42 2 47.32 1 42 A LEU 43 2 44.43 1 43 A ALA 44 2 51.76 1 44 A GLU 45 2 49.52 1 45 A ILE 46 2 47.33 1 46 A LEU 47 2 47.25 1 47 A SER 48 2 51.09 1 48 A GLU 49 2 43.03 1 49 A ARG 50 2 39.57 1 50 A ASN 51 2 36.70 1 51 A ILE 52 2 38.84 1 52 A ALA 53 2 45.57 1 53 A ILE 54 2 43.40 1 54 A PRO 55 2 45.02 1 55 A PRO 56 2 49.37 1 56 A THR 57 2 48.58 1 57 A LEU 58 2 44.95 1 58 A ARG 59 2 42.94 1 59 A CYS 60 2 49.65 1 60 A LEU 61 2 53.86 1 61 A THR 62 2 62.24 1 62 A PRO 63 2 58.42 1 63 A GLU 64 2 58.70 1 64 A GLU 65 2 56.55 1 65 A LEU 66 2 52.45 1 66 A LYS 67 2 52.96 1 67 A ALA 68 2 61.02 1 68 A LEU 69 2 52.63 1 69 A ALA 70 2 55.62 1 70 A PHE 71 2 51.48 1 71 A VAL 72 2 54.38 1 72 A VAL 73 2 51.47 1 73 A CYS 74 2 51.34 1 74 A LYS 75 2 52.04 1 75 A SER 76 2 50.41 1 76 A GLN 77 2 47.10 1 77 A LEU 78 2 46.61 1 78 A LYS 79 2 46.91 1 79 A THR 80 2 44.32 1 80 A THR 81 2 43.65 1 81 A THR 82 2 43.07 1 82 A VAL 83 2 41.07 1 83 A GLY 84 2 46.14 1 84 A GLY 85 2 46.69 1 85 A ARG 86 2 41.69 1 86 A MET 87 2 39.43 1 87 A LYS 88 2 40.09 1 88 A VAL 89 2 43.34 1 89 A VAL 90 2 43.98 1 90 A LEU 91 2 41.47 1 91 A ARG 92 2 39.83 1 92 A VAL 93 2 44.95 1 93 A LEU 94 2 41.18 1 94 A LEU 95 2 40.83 1 95 A LEU 96 2 40.15 1 96 A ILE 97 2 39.27 1 97 A THR 98 2 37.14 1 98 A HIS 99 2 35.80 1 99 # _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 THR . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n ASP . 4 A 4 A 5 1 n TYR . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n TYR . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n ASP . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n LYS . 14 A 14 A 15 1 n ARG . 15 A 15 A 16 1 n LYS . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n ASN . 18 A 18 A 19 1 n ASN . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n ILE . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n ILE . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n SER . 26 A 26 A 27 1 n LEU . 27 A 27 A 28 1 n ASP . 28 A 28 A 29 1 n ILE . 29 A 29 A 30 1 n MET . 30 A 30 A 31 1 n ILE . 31 A 31 A 32 1 n TYR . 32 A 32 A 33 1 n ALA . 33 A 33 A 34 1 n ILE . 34 A 34 A 35 1 n GLN . 35 A 35 A 36 1 n GLY . 36 A 36 A 37 1 n LYS . 37 A 37 A 38 1 n ALA . 38 A 38 A 39 1 n GLY . 39 A 39 A 40 1 n LYS . 40 A 40 A 41 1 n GLU . 41 A 41 A 42 1 n VAL . 42 A 42 A 43 1 n LEU . 43 A 43 A 44 1 n ALA . 44 A 44 A 45 1 n GLU . 45 A 45 A 46 1 n ILE . 46 A 46 A 47 1 n LEU . 47 A 47 A 48 1 n SER . 48 A 48 A 49 1 n GLU . 49 A 49 A 50 1 n ARG . 50 A 50 A 51 1 n ASN . 51 A 51 A 52 1 n ILE . 52 A 52 A 53 1 n ALA . 53 A 53 A 54 1 n ILE . 54 A 54 A 55 1 n PRO . 55 A 55 A 56 1 n PRO . 56 A 56 A 57 1 n THR . 57 A 57 A 58 1 n LEU . 58 A 58 A 59 1 n ARG . 59 A 59 A 60 1 n CYS . 60 A 60 A 61 1 n LEU . 61 A 61 A 62 1 n THR . 62 A 62 A 63 1 n PRO . 63 A 63 A 64 1 n GLU . 64 A 64 A 65 1 n GLU . 65 A 65 A 66 1 n LEU . 66 A 66 A 67 1 n LYS . 67 A 67 A 68 1 n ALA . 68 A 68 A 69 1 n LEU . 69 A 69 A 70 1 n ALA . 70 A 70 A 71 1 n PHE . 71 A 71 A 72 1 n VAL . 72 A 72 A 73 1 n VAL . 73 A 73 A 74 1 n CYS . 74 A 74 A 75 1 n LYS . 75 A 75 A 76 1 n SER . 76 A 76 A 77 1 n GLN . 77 A 77 A 78 1 n LEU . 78 A 78 A 79 1 n LYS . 79 A 79 A 80 1 n THR . 80 A 80 A 81 1 n THR . 81 A 81 A 82 1 n THR . 82 A 82 A 83 1 n VAL . 83 A 83 A 84 1 n GLY . 84 A 84 A 85 1 n GLY . 85 A 85 A 86 1 n ARG . 86 A 86 A 87 1 n MET . 87 A 87 A 88 1 n LYS . 88 A 88 A 89 1 n VAL . 89 A 89 A 90 1 n VAL . 90 A 90 A 91 1 n LEU . 91 A 91 A 92 1 n ARG . 92 A 92 A 93 1 n VAL . 93 A 93 A 94 1 n LEU . 94 A 94 A 95 1 n LEU . 95 A 95 A 96 1 n LEU . 96 A 96 A 97 1 n ILE . 97 A 97 A 98 1 n THR . 98 A 98 A 99 1 n HIS . 99 A 99 # _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 ? -31.037 12.992 15.381 1.00 37.39 1 A 1 ATOM 2 C CA . MET A 1 1 ? -29.747 12.267 15.311 1.00 46.86 1 A 1 ATOM 3 C C . MET A 1 1 ? -29.030 12.732 14.050 1.00 47.68 1 A 1 ATOM 4 O O . MET A 1 1 ? -29.402 12.320 12.961 1.00 44.28 1 A 1 ATOM 5 C CB . MET A 1 1 ? -29.977 10.740 15.298 1.00 44.11 1 A 1 ATOM 6 C CG . MET A 1 1 ? -29.270 10.013 16.440 1.00 38.75 1 A 1 ATOM 7 S SD . MET A 1 1 ? -29.581 8.234 16.416 1.00 35.39 1 A 1 ATOM 8 C CE . MET A 1 1 ? -28.652 7.703 17.875 1.00 31.18 1 A 1 ATOM 9 N N . THR A 1 2 ? -28.087 13.655 14.170 1.00 37.83 2 A 1 ATOM 10 C CA . THR A 1 2 ? -27.362 14.230 13.028 1.00 43.84 2 A 1 ATOM 11 C C . THR A 1 2 ? -26.179 13.317 12.715 1.00 43.06 2 A 1 ATOM 12 O O . THR A 1 2 ? -25.208 13.270 13.466 1.00 42.59 2 A 1 ATOM 13 C CB . THR A 1 2 ? -26.908 15.669 13.332 1.00 44.13 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? -27.868 16.325 14.142 1.00 38.82 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? -26.763 16.501 12.064 1.00 39.84 2 A 1 ATOM 16 N N . ILE A 1 3 ? -26.298 12.523 11.652 1.00 35.90 3 A 1 ATOM 17 C CA . ILE A 1 3 ? -25.209 11.660 11.186 1.00 40.11 3 A 1 ATOM 18 C C . ILE A 1 3 ? -24.167 12.570 10.536 1.00 40.40 3 A 1 ATOM 19 O O . ILE A 1 3 ? -24.411 13.171 9.490 1.00 39.17 3 A 1 ATOM 20 C CB . ILE A 1 3 ? -25.733 10.555 10.237 1.00 39.01 3 A 1 ATOM 21 C CG1 . ILE A 1 3 ? -26.748 9.652 10.980 1.00 35.52 3 A 1 ATOM 22 C CG2 . ILE A 1 3 ? -24.561 9.717 9.696 1.00 35.76 3 A 1 ATOM 23 C CD1 . ILE A 1 3 ? -27.446 8.615 10.091 1.00 33.60 3 A 1 ATOM 24 N N . ASP A 1 4 ? -23.032 12.706 11.183 1.00 36.13 4 A 1 ATOM 25 C CA . ASP A 1 4 ? -21.933 13.554 10.738 1.00 40.40 4 A 1 ATOM 26 C C . ASP A 1 4 ? -21.189 12.864 9.580 1.00 39.58 4 A 1 ATOM 27 O O . ASP A 1 4 ? -20.246 12.088 9.774 1.00 38.97 4 A 1 ATOM 28 C CB . ASP A 1 4 ? -21.053 13.897 11.955 1.00 41.20 4 A 1 ATOM 29 C CG . ASP A 1 4 ? -20.149 15.106 11.723 1.00 36.71 4 A 1 ATOM 30 O OD1 . ASP A 1 4 ? -19.867 15.424 10.541 1.00 35.54 4 A 1 ATOM 31 O OD2 . ASP A 1 4 ? -19.708 15.686 12.740 1.00 35.04 4 A 1 ATOM 32 N N . TYR A 1 5 ? -21.648 13.148 8.350 1.00 40.16 5 A 1 ATOM 33 C CA . TYR A 1 5 ? -21.129 12.576 7.101 1.00 42.03 5 A 1 ATOM 34 C C . TYR A 1 5 ? -19.606 12.754 6.945 1.00 41.77 5 A 1 ATOM 35 O O . TYR A 1 5 ? -18.947 11.879 6.373 1.00 40.51 5 A 1 ATOM 36 C CB . TYR A 1 5 ? -21.884 13.197 5.913 1.00 41.22 5 A 1 ATOM 37 C CG . TYR A 1 5 ? -23.218 12.529 5.609 1.00 37.79 5 A 1 ATOM 38 C CD1 . TYR A 1 5 ? -23.273 11.492 4.656 1.00 35.61 5 A 1 ATOM 39 C CD2 . TYR A 1 5 ? -24.396 12.928 6.265 1.00 35.14 5 A 1 ATOM 40 C CE1 . TYR A 1 5 ? -24.497 10.860 4.360 1.00 33.41 5 A 1 ATOM 41 C CE2 . TYR A 1 5 ? -25.625 12.296 5.980 1.00 34.58 5 A 1 ATOM 42 C CZ . TYR A 1 5 ? -25.674 11.264 5.022 1.00 34.07 5 A 1 ATOM 43 O OH . TYR A 1 5 ? -26.858 10.652 4.737 1.00 33.22 5 A 1 ATOM 44 N N . ARG A 1 6 ? -19.003 13.801 7.529 1.00 42.41 6 A 1 ATOM 45 C CA . ARG A 1 6 ? -17.539 14.000 7.513 1.00 44.48 6 A 1 ATOM 46 C C . ARG A 1 6 ? -16.776 12.864 8.199 1.00 44.31 6 A 1 ATOM 47 O O . ARG A 1 6 ? -15.682 12.513 7.760 1.00 43.04 6 A 1 ATOM 48 C CB . ARG A 1 6 ? -17.158 15.335 8.174 1.00 44.38 6 A 1 ATOM 49 C CG . ARG A 1 6 ? -17.411 16.540 7.262 1.00 39.79 6 A 1 ATOM 50 C CD . ARG A 1 6 ? -16.828 17.802 7.907 1.00 39.38 6 A 1 ATOM 51 N NE . ARG A 1 6 ? -16.988 18.983 7.038 1.00 36.47 6 A 1 ATOM 52 C CZ . ARG A 1 6 ? -16.370 20.142 7.173 1.00 35.46 6 A 1 ATOM 53 N NH1 . ARG A 1 6 ? -15.512 20.359 8.133 1.00 34.01 6 A 1 ATOM 54 N NH2 . ARG A 1 6 ? -16.608 21.116 6.339 1.00 32.62 6 A 1 ATOM 55 N N . ARG A 1 7 ? -17.348 12.281 9.249 1.00 37.43 7 A 1 ATOM 56 C CA . ARG A 1 7 ? -16.709 11.192 9.997 1.00 40.82 7 A 1 ATOM 57 C C . ARG A 1 7 ? -16.746 9.873 9.219 1.00 40.41 7 A 1 ATOM 58 O O . ARG A 1 7 ? -15.764 9.136 9.227 1.00 39.38 7 A 1 ATOM 59 C CB . ARG A 1 7 ? -17.362 11.089 11.388 1.00 40.64 7 A 1 ATOM 60 C CG . ARG A 1 7 ? -16.308 10.948 12.493 1.00 36.70 7 A 1 ATOM 61 C CD . ARG A 1 7 ? -16.981 10.920 13.868 1.00 35.53 7 A 1 ATOM 62 N NE . ARG A 1 7 ? -15.999 10.947 14.969 1.00 33.16 7 A 1 ATOM 63 C CZ . ARG A 1 7 ? -16.275 10.874 16.260 1.00 31.81 7 A 1 ATOM 64 N NH1 . ARG A 1 7 ? -17.496 10.739 16.701 1.00 30.20 7 A 1 ATOM 65 N NH2 . ARG A 1 7 ? -15.318 10.934 17.144 1.00 29.34 7 A 1 ATOM 66 N N . THR A 1 8 ? -17.832 9.628 8.491 1.00 39.37 8 A 1 ATOM 67 C CA . THR A 1 8 ? -18.028 8.410 7.685 1.00 41.46 8 A 1 ATOM 68 C C . THR A 1 8 ? -17.074 8.359 6.488 1.00 41.22 8 A 1 ATOM 69 O O . THR A 1 8 ? -16.391 7.352 6.301 1.00 39.59 8 A 1 ATOM 70 C CB . THR A 1 8 ? -19.493 8.285 7.225 1.00 39.87 8 A 1 ATOM 71 O OG1 . THR A 1 8 ? -20.363 8.784 8.217 1.00 35.98 8 A 1 ATOM 72 C CG2 . THR A 1 8 ? -19.886 6.833 6.995 1.00 36.51 8 A 1 ATOM 73 N N . TYR A 1 9 ? -16.925 9.465 5.745 1.00 36.17 9 A 1 ATOM 74 C CA . TYR A 1 9 ? -15.962 9.540 4.626 1.00 38.38 9 A 1 ATOM 75 C C . TYR A 1 9 ? -14.505 9.386 5.080 1.00 38.71 9 A 1 ATOM 76 O O . TYR A 1 9 ? -13.702 8.741 4.403 1.00 37.13 9 A 1 ATOM 77 C CB . TYR A 1 9 ? -16.148 10.860 3.865 1.00 36.90 9 A 1 ATOM 78 C CG . TYR A 1 9 ? -17.400 10.898 3.007 1.00 33.97 9 A 1 ATOM 79 C CD1 . TYR A 1 9 ? -17.459 10.144 1.820 1.00 31.39 9 A 1 ATOM 80 C CD2 . TYR A 1 9 ? -18.511 11.671 3.395 1.00 30.63 9 A 1 ATOM 81 C CE1 . TYR A 1 9 ? -18.630 10.146 1.037 1.00 28.77 9 A 1 ATOM 82 C CE2 . TYR A 1 9 ? -19.684 11.673 2.614 1.00 30.47 9 A 1 ATOM 83 C CZ . TYR A 1 9 ? -19.746 10.907 1.437 1.00 29.26 9 A 1 ATOM 84 O OH . TYR A 1 9 ? -20.881 10.897 0.689 1.00 29.46 9 A 1 ATOM 85 N N . PHE A 1 10 ? -14.161 9.914 6.266 1.00 38.78 10 A 1 ATOM 86 C CA . PHE A 1 10 ? -12.805 9.792 6.815 1.00 40.39 10 A 1 ATOM 87 C C . PHE A 1 10 ? -12.450 8.346 7.199 1.00 40.33 10 A 1 ATOM 88 O O . PHE A 1 10 ? -11.317 7.906 6.989 1.00 39.47 10 A 1 ATOM 89 C CB . PHE A 1 10 ? -12.675 10.742 8.010 1.00 39.13 10 A 1 ATOM 90 C CG . PHE A 1 10 ? -11.242 11.047 8.405 1.00 36.65 10 A 1 ATOM 91 C CD1 . PHE A 1 10 ? -10.652 10.414 9.514 1.00 34.47 10 A 1 ATOM 92 C CD2 . PHE A 1 10 ? -10.507 11.992 7.669 1.00 34.01 10 A 1 ATOM 93 C CE1 . PHE A 1 10 ? -9.338 10.742 9.892 1.00 32.31 10 A 1 ATOM 94 C CE2 . PHE A 1 10 ? -9.189 12.316 8.047 1.00 33.14 10 A 1 ATOM 95 C CZ . PHE A 1 10 ? -8.608 11.694 9.161 1.00 32.55 10 A 1 ATOM 96 N N . PHE A 1 11 ? -13.421 7.578 7.725 1.00 39.04 11 A 1 ATOM 97 C CA . PHE A 1 11 ? -13.239 6.158 8.037 1.00 40.67 11 A 1 ATOM 98 C C . PHE A 1 11 ? -13.138 5.285 6.780 1.00 40.93 11 A 1 ATOM 99 O O . PHE A 1 11 ? -12.279 4.401 6.725 1.00 39.10 11 A 1 ATOM 100 C CB . PHE A 1 11 ? -14.368 5.681 8.966 1.00 38.39 11 A 1 ATOM 101 C CG . PHE A 1 11 ? -13.981 5.716 10.434 1.00 36.39 11 A 1 ATOM 102 C CD1 . PHE A 1 11 ? -13.295 4.625 10.996 1.00 33.51 11 A 1 ATOM 103 C CD2 . PHE A 1 11 ? -14.289 6.827 11.237 1.00 33.08 11 A 1 ATOM 104 C CE1 . PHE A 1 11 ? -12.922 4.642 12.352 1.00 31.84 11 A 1 ATOM 105 C CE2 . PHE A 1 11 ? -13.916 6.850 12.594 1.00 31.71 11 A 1 ATOM 106 C CZ . PHE A 1 11 ? -13.233 5.753 13.152 1.00 32.09 11 A 1 ATOM 107 N N . ASP A 1 12 ? -13.955 5.561 5.757 1.00 42.32 12 A 1 ATOM 108 C CA . ASP A 1 12 ? -13.933 4.807 4.493 1.00 46.31 12 A 1 ATOM 109 C C . ASP A 1 12 ? -12.625 5.038 3.711 1.00 46.28 12 A 1 ATOM 110 O O . ASP A 1 12 ? -11.995 4.097 3.222 1.00 44.56 12 A 1 ATOM 111 C CB . ASP A 1 12 ? -15.168 5.183 3.653 1.00 45.62 12 A 1 ATOM 112 C CG . ASP A 1 12 ? -15.767 3.952 2.985 1.00 40.76 12 A 1 ATOM 113 O OD1 . ASP A 1 12 ? -15.089 3.370 2.104 1.00 38.52 12 A 1 ATOM 114 O OD2 . ASP A 1 12 ? -16.889 3.580 3.389 1.00 38.26 12 A 1 ATOM 115 N N . THR A 1 13 ? -12.135 6.289 3.706 1.00 45.67 13 A 1 ATOM 116 C CA . THR A 1 13 ? -10.839 6.642 3.103 1.00 48.04 13 A 1 ATOM 117 C C . THR A 1 13 ? -9.683 5.974 3.849 1.00 48.78 13 A 1 ATOM 118 O O . THR A 1 13 ? -8.818 5.369 3.216 1.00 47.15 13 A 1 ATOM 119 C CB . THR A 1 13 ? -10.643 8.164 3.052 1.00 46.03 13 A 1 ATOM 120 O OG1 . THR A 1 13 ? -11.764 8.777 2.466 1.00 41.77 13 A 1 ATOM 121 C CG2 . THR A 1 13 ? -9.445 8.563 2.197 1.00 41.75 13 A 1 ATOM 122 N N . LYS A 1 14 ? -9.696 5.971 5.187 1.00 45.83 14 A 1 ATOM 123 C CA . LYS A 1 14 ? -8.684 5.251 5.985 1.00 49.48 14 A 1 ATOM 124 C C . LYS A 1 14 ? -8.697 3.743 5.739 1.00 49.39 14 A 1 ATOM 125 O O . LYS A 1 14 ? -7.631 3.138 5.667 1.00 48.99 14 A 1 ATOM 126 C CB . LYS A 1 14 ? -8.861 5.531 7.483 1.00 49.21 14 A 1 ATOM 127 C CG . LYS A 1 14 ? -8.157 6.828 7.900 1.00 45.87 14 A 1 ATOM 128 C CD . LYS A 1 14 ? -8.209 6.999 9.423 1.00 45.36 14 A 1 ATOM 129 C CE . LYS A 1 14 ? -7.354 8.198 9.831 1.00 42.57 14 A 1 ATOM 130 N NZ . LYS A 1 14 ? -7.296 8.368 11.306 1.00 40.02 14 A 1 ATOM 131 N N . ARG A 1 15 ? -9.874 3.135 5.585 1.00 51.36 15 A 1 ATOM 132 C CA . ARG A 1 15 ? -10.002 1.696 5.304 1.00 53.12 15 A 1 ATOM 133 C C . ARG A 1 15 ? -9.468 1.338 3.914 1.00 52.55 15 A 1 ATOM 134 O O . ARG A 1 15 ? -8.729 0.363 3.789 1.00 52.06 15 A 1 ATOM 135 C CB . ARG A 1 15 ? -11.469 1.282 5.497 1.00 52.64 15 A 1 ATOM 136 C CG . ARG A 1 15 ? -11.644 -0.244 5.470 1.00 48.01 15 A 1 ATOM 137 C CD . ARG A 1 15 ? -13.114 -0.605 5.717 1.00 48.38 15 A 1 ATOM 138 N NE . ARG A 1 15 ? -13.321 -2.067 5.708 1.00 45.37 15 A 1 ATOM 139 C CZ . ARG A 1 15 ? -14.483 -2.690 5.792 1.00 41.72 15 A 1 ATOM 140 N NH1 . ARG A 1 15 ? -15.609 -2.041 5.892 1.00 40.46 15 A 1 ATOM 141 N NH2 . ARG A 1 15 ? -14.538 -3.991 5.770 1.00 39.37 15 A 1 ATOM 142 N N . LYS A 1 16 ? -9.778 2.153 2.895 1.00 46.80 16 A 1 ATOM 143 C CA . LYS A 1 16 ? -9.234 1.995 1.536 1.00 49.12 16 A 1 ATOM 144 C C . LYS A 1 16 ? -7.716 2.183 1.508 1.00 48.41 16 A 1 ATOM 145 O O . LYS A 1 16 ? -7.018 1.345 0.941 1.00 48.22 16 A 1 ATOM 146 C CB . LYS A 1 16 ? -9.935 2.959 0.567 1.00 48.68 16 A 1 ATOM 147 C CG . LYS A 1 16 ? -11.354 2.478 0.234 1.00 44.52 16 A 1 ATOM 148 C CD . LYS A 1 16 ? -12.082 3.461 -0.692 1.00 44.81 16 A 1 ATOM 149 C CE . LYS A 1 16 ? -13.499 2.947 -0.960 1.00 42.18 16 A 1 ATOM 150 N NZ . LYS A 1 16 ? -14.313 3.893 -1.755 1.00 40.30 16 A 1 ATOM 151 N N . VAL A 1 17 ? -7.205 3.209 2.183 1.00 48.54 17 A 1 ATOM 152 C CA . VAL A 1 17 ? -5.763 3.460 2.302 1.00 49.78 17 A 1 ATOM 153 C C . VAL A 1 17 ? -5.062 2.318 3.046 1.00 51.47 17 A 1 ATOM 154 O O . VAL A 1 17 ? -4.031 1.845 2.575 1.00 49.39 17 A 1 ATOM 155 C CB . VAL A 1 17 ? -5.507 4.828 2.962 1.00 47.61 17 A 1 ATOM 156 C CG1 . VAL A 1 17 ? -4.035 5.062 3.306 1.00 43.07 17 A 1 ATOM 157 C CG2 . VAL A 1 17 ? -5.928 5.967 2.017 1.00 42.57 17 A 1 ATOM 158 N N . ASN A 1 18 ? -5.635 1.797 4.131 1.00 46.44 18 A 1 ATOM 159 C CA . ASN A 1 18 ? -5.072 0.647 4.842 1.00 48.64 18 A 1 ATOM 160 C C . ASN A 1 18 ? -5.066 -0.631 3.993 1.00 49.19 18 A 1 ATOM 161 O O . ASN A 1 18 ? -4.093 -1.378 4.056 1.00 47.92 18 A 1 ATOM 162 C CB . ASN A 1 18 ? -5.828 0.414 6.158 1.00 47.96 18 A 1 ATOM 163 C CG . ASN A 1 18 ? -5.359 1.309 7.294 1.00 43.36 18 A 1 ATOM 164 O OD1 . ASN A 1 18 ? -4.378 2.031 7.222 1.00 42.15 18 A 1 ATOM 165 N ND2 . ASN A 1 18 ? -6.031 1.260 8.417 1.00 40.50 18 A 1 ATOM 166 N N . ASN A 1 19 ? -6.094 -0.878 3.171 1.00 52.11 19 A 1 ATOM 167 C CA . ASN A 1 19 ? -6.101 -2.016 2.244 1.00 53.03 19 A 1 ATOM 168 C C . ASN A 1 19 ? -5.030 -1.872 1.154 1.00 52.31 19 A 1 ATOM 169 O O . ASN A 1 19 ? -4.353 -2.846 0.836 1.00 51.77 19 A 1 ATOM 170 C CB . ASN A 1 19 ? -7.502 -2.189 1.626 1.00 52.35 19 A 1 ATOM 171 C CG . ASN A 1 19 ? -8.421 -3.083 2.444 1.00 46.49 19 A 1 ATOM 172 O OD1 . ASN A 1 19 ? -8.129 -3.535 3.537 1.00 46.04 19 A 1 ATOM 173 N ND2 . ASN A 1 19 ? -9.584 -3.388 1.924 1.00 43.84 19 A 1 ATOM 174 N N . ILE A 1 20 ? -4.839 -0.664 0.617 1.00 50.15 20 A 1 ATOM 175 C CA . ILE A 1 20 ? -3.779 -0.378 -0.358 1.00 50.80 20 A 1 ATOM 176 C C . ILE A 1 20 ? -2.402 -0.559 0.295 1.00 50.37 20 A 1 ATOM 177 O O . ILE A 1 20 ? -1.553 -1.245 -0.268 1.00 49.02 20 A 1 ATOM 178 C CB . ILE A 1 20 ? -3.976 1.034 -0.956 1.00 49.30 20 A 1 ATOM 179 C CG1 . ILE A 1 20 ? -5.257 1.070 -1.825 1.00 45.67 20 A 1 ATOM 180 C CG2 . ILE A 1 20 ? -2.761 1.453 -1.805 1.00 45.41 20 A 1 ATOM 181 C CD1 . ILE A 1 20 ? -5.736 2.487 -2.158 1.00 43.76 20 A 1 ATOM 182 N N . ILE A 1 21 ? -2.197 -0.029 1.502 1.00 46.06 21 A 1 ATOM 183 C CA . ILE A 1 21 ? -0.945 -0.184 2.256 1.00 47.81 21 A 1 ATOM 184 C C . ILE A 1 21 ? -0.687 -1.656 2.600 1.00 48.69 21 A 1 ATOM 185 O O . ILE A 1 21 ? 0.447 -2.109 2.483 1.00 47.03 21 A 1 ATOM 186 C CB . ILE A 1 21 ? -0.962 0.703 3.525 1.00 46.24 21 A 1 ATOM 187 C CG1 . ILE A 1 21 ? -0.901 2.198 3.129 1.00 42.99 21 A 1 ATOM 188 C CG2 . ILE A 1 21 ? 0.213 0.376 4.468 1.00 42.33 21 A 1 ATOM 189 C CD1 . ILE A 1 21 ? -1.219 3.155 4.286 1.00 41.04 21 A 1 ATOM 190 N N . SER A 1 22 ? -1.714 -2.417 2.983 1.00 50.62 22 A 1 ATOM 191 C CA . SER A 1 22 ? -1.585 -3.856 3.243 1.00 52.14 22 A 1 ATOM 192 C C . SER A 1 22 ? -1.220 -4.639 1.975 1.00 51.96 22 A 1 ATOM 193 O O . SER A 1 22 ? -0.392 -5.544 2.037 1.00 50.34 22 A 1 ATOM 194 C CB . SER A 1 22 ? -2.890 -4.388 3.836 1.00 51.34 22 A 1 ATOM 195 O OG . SER A 1 22 ? -2.740 -5.737 4.234 1.00 46.51 22 A 1 ATOM 196 N N . GLY A 1 23 ? -1.795 -4.266 0.828 1.00 53.99 23 A 1 ATOM 197 C CA . GLY A 1 23 ? -1.434 -4.826 -0.478 1.00 54.46 23 A 1 ATOM 198 C C . GLY A 1 23 ? 0.007 -4.504 -0.874 1.00 54.59 23 A 1 ATOM 199 O O . GLY A 1 23 ? 0.752 -5.410 -1.248 1.00 53.65 23 A 1 ATOM 200 N N . ILE A 1 24 ? 0.428 -3.252 -0.708 1.00 49.16 24 A 1 ATOM 201 C CA . ILE A 1 24 ? 1.804 -2.798 -0.968 1.00 50.16 24 A 1 ATOM 202 C C . ILE A 1 24 ? 2.787 -3.485 -0.015 1.00 50.29 24 A 1 ATOM 203 O O . ILE A 1 24 ? 3.792 -4.013 -0.473 1.00 48.73 24 A 1 ATOM 204 C CB . ILE A 1 24 ? 1.898 -1.256 -0.889 1.00 48.64 24 A 1 ATOM 205 C CG1 . ILE A 1 24 ? 1.101 -0.608 -2.045 1.00 46.26 24 A 1 ATOM 206 C CG2 . ILE A 1 24 ? 3.366 -0.783 -0.950 1.00 45.77 24 A 1 ATOM 207 C CD1 . ILE A 1 24 ? 0.880 0.902 -1.876 1.00 44.70 24 A 1 ATOM 208 N N . ALA A 1 25 ? 2.478 -3.574 1.279 1.00 48.89 25 A 1 ATOM 209 C CA . ALA A 1 25 ? 3.338 -4.259 2.244 1.00 50.39 25 A 1 ATOM 210 C C . ALA A 1 25 ? 3.480 -5.759 1.939 1.00 51.55 25 A 1 ATOM 211 O O . ALA A 1 25 ? 4.559 -6.326 2.090 1.00 49.45 25 A 1 ATOM 212 C CB . ALA A 1 25 ? 2.774 -4.037 3.652 1.00 47.69 25 A 1 ATOM 213 N N . SER A 1 26 ? 2.407 -6.406 1.471 1.00 45.57 26 A 1 ATOM 214 C CA . SER A 1 26 ? 2.455 -7.807 1.032 1.00 46.54 26 A 1 ATOM 215 C C . SER A 1 26 ? 3.284 -7.971 -0.243 1.00 47.34 26 A 1 ATOM 216 O O . SER A 1 26 ? 4.039 -8.934 -0.367 1.00 45.99 26 A 1 ATOM 217 C CB . SER A 1 26 ? 1.045 -8.350 0.801 1.00 44.60 26 A 1 ATOM 218 O OG . SER A 1 26 ? 0.272 -8.260 1.984 1.00 40.58 26 A 1 ATOM 219 N N . LEU A 1 27 ? 3.180 -7.010 -1.171 1.00 50.10 27 A 1 ATOM 220 C CA . LEU A 1 27 ? 3.993 -6.956 -2.383 1.00 50.93 27 A 1 ATOM 221 C C . LEU A 1 27 ? 5.470 -6.707 -2.049 1.00 52.06 27 A 1 ATOM 222 O O . LEU A 1 27 ? 6.324 -7.421 -2.560 1.00 50.26 27 A 1 ATOM 223 C CB . LEU A 1 27 ? 3.413 -5.871 -3.311 1.00 49.80 27 A 1 ATOM 224 C CG . LEU A 1 27 ? 4.014 -5.868 -4.727 1.00 45.32 27 A 1 ATOM 225 C CD1 . LEU A 1 27 ? 3.556 -7.086 -5.532 1.00 43.69 27 A 1 ATOM 226 C CD2 . LEU A 1 27 ? 3.557 -4.610 -5.470 1.00 43.87 27 A 1 ATOM 227 N N . ASP A 1 28 ? 5.773 -5.783 -1.141 1.00 49.23 28 A 1 ATOM 228 C CA . ASP A 1 28 ? 7.134 -5.498 -0.680 1.00 50.41 28 A 1 ATOM 229 C C . ASP A 1 28 ? 7.767 -6.703 0.029 1.00 50.13 28 A 1 ATOM 230 O O . ASP A 1 28 ? 8.933 -7.008 -0.202 1.00 49.32 28 A 1 ATOM 231 C CB . ASP A 1 28 ? 7.138 -4.293 0.275 1.00 49.56 28 A 1 ATOM 232 C CG . ASP A 1 28 ? 7.082 -2.932 -0.424 1.00 45.70 28 A 1 ATOM 233 O OD1 . ASP A 1 28 ? 7.554 -2.839 -1.579 1.00 43.50 28 A 1 ATOM 234 O OD2 . ASP A 1 28 ? 6.626 -1.977 0.245 1.00 43.49 28 A 1 ATOM 235 N N . ILE A 1 29 ? 7.004 -7.434 0.855 1.00 44.05 29 A 1 ATOM 236 C CA . ILE A 1 29 ? 7.466 -8.682 1.483 1.00 44.57 29 A 1 ATOM 237 C C . ILE A 1 29 ? 7.733 -9.752 0.414 1.00 44.93 29 A 1 ATOM 238 O O . ILE A 1 29 ? 8.733 -10.469 0.497 1.00 43.97 29 A 1 ATOM 239 C CB . ILE A 1 29 ? 6.450 -9.162 2.546 1.00 43.26 29 A 1 ATOM 240 C CG1 . ILE A 1 29 ? 6.466 -8.205 3.765 1.00 39.69 29 A 1 ATOM 241 C CG2 . ILE A 1 29 ? 6.753 -10.597 3.024 1.00 38.73 29 A 1 ATOM 242 C CD1 . ILE A 1 29 ? 5.246 -8.366 4.689 1.00 37.38 29 A 1 ATOM 243 N N . MET A 1 30 ? 6.878 -9.844 -0.609 1.00 46.87 30 A 1 ATOM 244 C CA . MET A 1 30 ? 7.054 -10.771 -1.729 1.00 47.52 30 A 1 ATOM 245 C C . MET A 1 30 ? 8.278 -10.392 -2.580 1.00 48.27 30 A 1 ATOM 246 O O . MET A 1 30 ? 9.106 -11.252 -2.871 1.00 48.22 30 A 1 ATOM 247 C CB . MET A 1 30 ? 5.753 -10.802 -2.544 1.00 46.48 30 A 1 ATOM 248 C CG . MET A 1 30 ? 5.698 -11.981 -3.518 1.00 41.73 30 A 1 ATOM 249 S SD . MET A 1 30 ? 4.162 -12.083 -4.497 1.00 39.67 30 A 1 ATOM 250 C CE . MET A 1 30 ? 2.919 -12.277 -3.194 1.00 37.84 30 A 1 ATOM 251 N N . ILE A 1 31 ? 8.454 -9.102 -2.887 1.00 49.92 31 A 1 ATOM 252 C CA . ILE A 1 31 ? 9.634 -8.562 -3.581 1.00 50.24 31 A 1 ATOM 253 C C . ILE A 1 31 ? 10.902 -8.828 -2.761 1.00 49.99 31 A 1 ATOM 254 O O . ILE A 1 31 ? 11.906 -9.270 -3.319 1.00 48.98 31 A 1 ATOM 255 C CB . ILE A 1 31 ? 9.438 -7.053 -3.871 1.00 49.35 31 A 1 ATOM 256 C CG1 . ILE A 1 31 ? 8.359 -6.859 -4.964 1.00 46.33 31 A 1 ATOM 257 C CG2 . ILE A 1 31 ? 10.751 -6.379 -4.316 1.00 45.97 31 A 1 ATOM 258 C CD1 . ILE A 1 31 ? 7.861 -5.411 -5.093 1.00 44.95 31 A 1 ATOM 259 N N . TYR A 1 32 ? 10.854 -8.631 -1.445 1.00 41.72 32 A 1 ATOM 260 C CA . TYR A 1 32 ? 11.990 -8.901 -0.558 1.00 42.88 32 A 1 ATOM 261 C C . TYR A 1 32 ? 12.334 -10.398 -0.485 1.00 42.56 32 A 1 ATOM 262 O O . TYR A 1 32 ? 13.512 -10.763 -0.467 1.00 41.87 32 A 1 ATOM 263 C CB . TYR A 1 32 ? 11.674 -8.324 0.829 1.00 41.59 32 A 1 ATOM 264 C CG . TYR A 1 32 ? 12.883 -8.218 1.738 1.00 39.24 32 A 1 ATOM 265 C CD1 . TYR A 1 32 ? 13.182 -9.244 2.655 1.00 36.09 32 A 1 ATOM 266 C CD2 . TYR A 1 32 ? 13.717 -7.085 1.651 1.00 36.71 32 A 1 ATOM 267 C CE1 . TYR A 1 32 ? 14.315 -9.137 3.482 1.00 33.90 32 A 1 ATOM 268 C CE2 . TYR A 1 32 ? 14.853 -6.977 2.475 1.00 34.39 32 A 1 ATOM 269 C CZ . TYR A 1 32 ? 15.153 -8.004 3.392 1.00 34.32 32 A 1 ATOM 270 O OH . TYR A 1 32 ? 16.254 -7.903 4.190 1.00 33.69 32 A 1 ATOM 271 N N . ALA A 1 33 ? 11.326 -11.271 -0.510 1.00 42.56 33 A 1 ATOM 272 C CA . ALA A 1 33 ? 11.524 -12.721 -0.577 1.00 41.74 33 A 1 ATOM 273 C C . ALA A 1 33 ? 12.101 -13.178 -1.936 1.00 42.19 33 A 1 ATOM 274 O O . ALA A 1 33 ? 12.933 -14.084 -1.973 1.00 40.17 33 A 1 ATOM 275 C CB . ALA A 1 33 ? 10.187 -13.404 -0.260 1.00 38.86 33 A 1 ATOM 276 N N . ILE A 1 34 ? 11.710 -12.525 -3.035 1.00 42.40 34 A 1 ATOM 277 C CA . ILE A 1 34 ? 12.170 -12.836 -4.401 1.00 43.30 34 A 1 ATOM 278 C C . ILE A 1 34 ? 13.561 -12.235 -4.682 1.00 43.64 34 A 1 ATOM 279 O O . ILE A 1 34 ? 14.384 -12.884 -5.331 1.00 42.22 34 A 1 ATOM 280 C CB . ILE A 1 34 ? 11.097 -12.384 -5.422 1.00 41.68 34 A 1 ATOM 281 C CG1 . ILE A 1 34 ? 9.804 -13.228 -5.268 1.00 38.87 34 A 1 ATOM 282 C CG2 . ILE A 1 34 ? 11.607 -12.503 -6.875 1.00 37.93 34 A 1 ATOM 283 C CD1 . ILE A 1 34 ? 8.585 -12.631 -5.986 1.00 37.06 34 A 1 ATOM 284 N N . GLN A 1 35 ? 13.884 -11.049 -4.132 1.00 42.79 35 A 1 ATOM 285 C CA . GLN A 1 35 ? 15.217 -10.430 -4.240 1.00 44.29 35 A 1 ATOM 286 C C . GLN A 1 35 ? 16.344 -11.298 -3.654 1.00 44.28 35 A 1 ATOM 287 O O . GLN A 1 35 ? 17.505 -11.103 -4.005 1.00 43.18 35 A 1 ATOM 288 C CB . GLN A 1 35 ? 15.221 -9.048 -3.562 1.00 43.54 35 A 1 ATOM 289 C CG . GLN A 1 35 ? 14.705 -7.943 -4.502 1.00 40.26 35 A 1 ATOM 290 C CD . GLN A 1 35 ? 14.711 -6.558 -3.850 1.00 37.77 35 A 1 ATOM 291 O OE1 . GLN A 1 35 ? 14.884 -6.376 -2.654 1.00 38.42 35 A 1 ATOM 292 N NE2 . GLN A 1 35 ? 14.525 -5.507 -4.623 1.00 36.85 35 A 1 ATOM 293 N N . GLY A 1 36 ? 16.004 -12.278 -2.826 1.00 42.84 36 A 1 ATOM 294 C CA . GLY A 1 36 ? 16.960 -13.273 -2.352 1.00 42.81 36 A 1 ATOM 295 C C . GLY A 1 36 ? 17.369 -14.335 -3.390 1.00 43.13 36 A 1 ATOM 296 O O . GLY A 1 36 ? 18.379 -14.995 -3.164 1.00 40.62 36 A 1 ATOM 297 N N . LYS A 1 37 ? 16.608 -14.532 -4.503 1.00 39.62 37 A 1 ATOM 298 C CA . LYS A 1 37 ? 16.854 -15.665 -5.422 1.00 40.27 37 A 1 ATOM 299 C C . LYS A 1 37 ? 16.542 -15.484 -6.918 1.00 39.55 37 A 1 ATOM 300 O O . LYS A 1 37 ? 16.994 -16.329 -7.684 1.00 37.69 37 A 1 ATOM 301 C CB . LYS A 1 37 ? 16.167 -16.940 -4.889 1.00 37.98 37 A 1 ATOM 302 C CG . LYS A 1 37 ? 16.957 -17.580 -3.738 1.00 34.86 37 A 1 ATOM 303 C CD . LYS A 1 37 ? 16.483 -18.999 -3.427 1.00 33.43 37 A 1 ATOM 304 C CE . LYS A 1 37 ? 17.383 -19.600 -2.343 1.00 31.42 37 A 1 ATOM 305 N NZ . LYS A 1 37 ? 17.002 -20.998 -2.031 1.00 29.75 37 A 1 ATOM 306 N N . ALA A 1 38 ? 15.814 -14.470 -7.364 1.00 40.93 38 A 1 ATOM 307 C CA . ALA A 1 38 ? 15.447 -14.377 -8.782 1.00 41.60 38 A 1 ATOM 308 C C . ALA A 1 38 ? 15.419 -12.927 -9.287 1.00 43.08 38 A 1 ATOM 309 O O . ALA A 1 38 ? 14.907 -12.032 -8.620 1.00 40.59 38 A 1 ATOM 310 C CB . ALA A 1 38 ? 14.117 -15.111 -8.998 1.00 37.61 38 A 1 ATOM 311 N N . GLY A 1 39 ? 16.014 -12.696 -10.459 1.00 44.79 39 A 1 ATOM 312 C CA . GLY A 1 39 ? 16.229 -11.381 -11.061 1.00 46.06 39 A 1 ATOM 313 C C . GLY A 1 39 ? 14.943 -10.628 -11.428 1.00 49.59 39 A 1 ATOM 314 O O . GLY A 1 39 ? 13.844 -11.183 -11.450 1.00 47.40 39 A 1 ATOM 315 N N . LYS A 1 40 ? 15.110 -9.336 -11.748 1.00 43.64 40 A 1 ATOM 316 C CA . LYS A 1 40 ? 14.048 -8.349 -12.051 1.00 45.32 40 A 1 ATOM 317 C C . LYS A 1 40 ? 13.019 -8.805 -13.103 1.00 47.35 40 A 1 ATOM 318 O O . LYS A 1 40 ? 11.904 -8.293 -13.111 1.00 46.96 40 A 1 ATOM 319 C CB . LYS A 1 40 ? 14.716 -7.042 -12.520 1.00 43.82 40 A 1 ATOM 320 C CG . LYS A 1 40 ? 15.546 -6.348 -11.424 1.00 40.03 40 A 1 ATOM 321 C CD . LYS A 1 40 ? 16.236 -5.099 -11.979 1.00 38.00 40 A 1 ATOM 322 C CE . LYS A 1 40 ? 17.046 -4.388 -10.886 1.00 36.46 40 A 1 ATOM 323 N NZ . LYS A 1 40 ? 17.797 -3.231 -11.431 1.00 33.26 40 A 1 ATOM 324 N N . GLU A 1 41 ? 13.369 -9.747 -13.949 1.00 48.61 41 A 1 ATOM 325 C CA . GLU A 1 41 ? 12.538 -10.288 -15.034 1.00 51.43 41 A 1 ATOM 326 C C . GLU A 1 41 ? 11.352 -11.115 -14.515 1.00 52.78 41 A 1 ATOM 327 O O . GLU A 1 41 ? 10.221 -10.909 -14.950 1.00 52.31 41 A 1 ATOM 328 C CB . GLU A 1 41 ? 13.460 -11.106 -15.950 1.00 50.94 41 A 1 ATOM 329 C CG . GLU A 1 41 ? 14.451 -10.183 -16.690 1.00 46.39 41 A 1 ATOM 330 C CD . GLU A 1 41 ? 15.710 -10.883 -17.220 1.00 43.49 41 A 1 ATOM 331 O OE1 . GLU A 1 41 ? 16.440 -10.209 -17.978 1.00 43.03 41 A 1 ATOM 332 O OE2 . GLU A 1 41 ? 15.987 -12.019 -16.783 1.00 42.06 41 A 1 ATOM 333 N N . VAL A 1 42 ? 11.564 -11.939 -13.486 1.00 48.09 42 A 1 ATOM 334 C CA . VAL A 1 42 ? 10.509 -12.758 -12.857 1.00 49.79 42 A 1 ATOM 335 C C . VAL A 1 42 ? 9.483 -11.881 -12.127 1.00 51.58 42 A 1 ATOM 336 O O . VAL A 1 42 ? 8.296 -12.193 -12.067 1.00 50.87 42 A 1 ATOM 337 C CB . VAL A 1 42 ? 11.146 -13.777 -11.890 1.00 47.55 42 A 1 ATOM 338 C CG1 . VAL A 1 42 ? 10.111 -14.692 -11.222 1.00 42.43 42 A 1 ATOM 339 C CG2 . VAL A 1 42 ? 12.162 -14.675 -12.612 1.00 40.93 42 A 1 ATOM 340 N N . LEU A 1 43 ? 9.919 -10.732 -11.599 1.00 46.16 43 A 1 ATOM 341 C CA . LEU A 1 43 ? 9.038 -9.769 -10.943 1.00 47.28 43 A 1 ATOM 342 C C . LEU A 1 43 ? 8.069 -9.106 -11.935 1.00 48.62 43 A 1 ATOM 343 O O . LEU A 1 43 ? 6.905 -8.901 -11.610 1.00 48.02 43 A 1 ATOM 344 C CB . LEU A 1 43 ? 9.908 -8.719 -10.231 1.00 45.63 43 A 1 ATOM 345 C CG . LEU A 1 43 ? 9.144 -7.951 -9.141 1.00 42.14 43 A 1 ATOM 346 C CD1 . LEU A 1 43 ? 9.096 -8.765 -7.849 1.00 38.51 43 A 1 ATOM 347 C CD2 . LEU A 1 43 ? 9.831 -6.617 -8.855 1.00 39.07 43 A 1 ATOM 348 N N . ALA A 1 44 ? 8.532 -8.780 -13.141 1.00 51.34 44 A 1 ATOM 349 C CA . ALA A 1 44 ? 7.706 -8.203 -14.198 1.00 52.04 44 A 1 ATOM 350 C C . ALA A 1 44 ? 6.654 -9.203 -14.705 1.00 52.33 44 A 1 ATOM 351 O O . ALA A 1 44 ? 5.509 -8.819 -14.943 1.00 51.80 44 A 1 ATOM 352 C CB . ALA A 1 44 ? 8.625 -7.721 -15.325 1.00 51.31 44 A 1 ATOM 353 N N . GLU A 1 45 ? 7.012 -10.477 -14.802 1.00 52.11 45 A 1 ATOM 354 C CA . GLU A 1 45 ? 6.113 -11.556 -15.215 1.00 53.09 45 A 1 ATOM 355 C C . GLU A 1 45 ? 5.008 -11.804 -14.173 1.00 52.92 45 A 1 ATOM 356 O O . GLU A 1 45 ? 3.828 -11.783 -14.509 1.00 52.55 45 A 1 ATOM 357 C CB . GLU A 1 45 ? 6.973 -12.791 -15.508 1.00 52.40 45 A 1 ATOM 358 C CG . GLU A 1 45 ? 6.235 -13.855 -16.326 1.00 47.28 45 A 1 ATOM 359 C CD . GLU A 1 45 ? 7.188 -14.955 -16.847 1.00 45.14 45 A 1 ATOM 360 O OE1 . GLU A 1 45 ? 6.781 -15.672 -17.789 1.00 45.77 45 A 1 ATOM 361 O OE2 . GLU A 1 45 ? 8.321 -15.063 -16.317 1.00 44.38 45 A 1 ATOM 362 N N . ILE A 1 46 ? 5.352 -11.870 -12.884 1.00 49.00 46 A 1 ATOM 363 C CA . ILE A 1 46 ? 4.377 -12.025 -11.787 1.00 49.61 46 A 1 ATOM 364 C C . ILE A 1 46 ? 3.431 -10.816 -11.688 1.00 49.43 46 A 1 ATOM 365 O O . ILE A 1 46 ? 2.241 -10.978 -11.408 1.00 48.80 46 A 1 ATOM 366 C CB . ILE A 1 46 ? 5.116 -12.276 -10.451 1.00 48.19 46 A 1 ATOM 367 C CG1 . ILE A 1 46 ? 5.841 -13.644 -10.479 1.00 45.14 46 A 1 ATOM 368 C CG2 . ILE A 1 46 ? 4.158 -12.228 -9.246 1.00 44.44 46 A 1 ATOM 369 C CD1 . ILE A 1 46 ? 6.853 -13.836 -9.342 1.00 44.01 46 A 1 ATOM 370 N N . LEU A 1 47 ? 3.919 -9.586 -11.915 1.00 49.05 47 A 1 ATOM 371 C CA . LEU A 1 47 ? 3.093 -8.374 -11.939 1.00 49.51 47 A 1 ATOM 372 C C . LEU A 1 47 ? 2.178 -8.310 -13.169 1.00 48.68 47 A 1 ATOM 373 O O . LEU A 1 47 ? 1.105 -7.717 -13.087 1.00 47.41 47 A 1 ATOM 374 C CB . LEU A 1 47 ? 4.000 -7.133 -11.882 1.00 48.20 47 A 1 ATOM 375 C CG . LEU A 1 47 ? 4.605 -6.849 -10.496 1.00 46.29 47 A 1 ATOM 376 C CD1 . LEU A 1 47 ? 5.675 -5.762 -10.611 1.00 44.47 47 A 1 ATOM 377 C CD2 . LEU A 1 47 ? 3.558 -6.365 -9.498 1.00 44.38 47 A 1 ATOM 378 N N . SER A 1 48 ? 2.575 -8.913 -14.286 1.00 52.02 48 A 1 ATOM 379 C CA . SER A 1 48 ? 1.768 -9.033 -15.504 1.00 52.62 48 A 1 ATOM 380 C C . SER A 1 48 ? 0.681 -10.101 -15.364 1.00 51.43 48 A 1 ATOM 381 O O . SER A 1 48 ? -0.448 -9.896 -15.808 1.00 50.10 48 A 1 ATOM 382 C CB . SER A 1 48 ? 2.693 -9.357 -16.680 1.00 52.29 48 A 1 ATOM 383 O OG . SER A 1 48 ? 1.973 -9.321 -17.900 1.00 48.06 48 A 1 ATOM 384 N N . GLU A 1 49 ? 0.986 -11.221 -14.716 1.00 47.55 49 A 1 ATOM 385 C CA . GLU A 1 49 ? 0.079 -12.363 -14.557 1.00 47.50 49 A 1 ATOM 386 C C . GLU A 1 49 ? -0.967 -12.122 -13.456 1.00 47.32 49 A 1 ATOM 387 O O . GLU A 1 49 ? -2.146 -12.446 -13.605 1.00 45.32 49 A 1 ATOM 388 C CB . GLU A 1 49 ? 0.936 -13.606 -14.283 1.00 45.65 49 A 1 ATOM 389 C CG . GLU A 1 49 ? 0.195 -14.907 -14.606 1.00 40.93 49 A 1 ATOM 390 C CD . GLU A 1 49 ? 1.056 -16.162 -14.399 1.00 38.25 49 A 1 ATOM 391 O OE1 . GLU A 1 49 ? 0.674 -17.209 -14.968 1.00 37.17 49 A 1 ATOM 392 O OE2 . GLU A 1 49 ? 2.023 -16.086 -13.613 1.00 37.59 49 A 1 ATOM 393 N N . ARG A 1 50 ? -0.567 -11.470 -12.362 1.00 46.11 50 A 1 ATOM 394 C CA . ARG A 1 50 ? -1.510 -10.926 -11.389 1.00 45.36 50 A 1 ATOM 395 C C . ARG A 1 50 ? -1.940 -9.558 -11.878 1.00 44.33 50 A 1 ATOM 396 O O . ARG A 1 50 ? -1.283 -8.565 -11.595 1.00 42.00 50 A 1 ATOM 397 C CB . ARG A 1 50 ? -0.916 -10.878 -9.983 1.00 42.23 50 A 1 ATOM 398 C CG . ARG A 1 50 ? -0.668 -12.283 -9.432 1.00 39.31 50 A 1 ATOM 399 C CD . ARG A 1 50 ? -1.012 -12.338 -7.946 1.00 38.52 50 A 1 ATOM 400 N NE . ARG A 1 50 ? -0.644 -13.630 -7.353 1.00 36.51 50 A 1 ATOM 401 C CZ . ARG A 1 50 ? -1.131 -14.152 -6.239 1.00 34.23 50 A 1 ATOM 402 N NH1 . ARG A 1 50 ? -2.045 -13.548 -5.532 1.00 33.40 50 A 1 ATOM 403 N NH2 . ARG A 1 50 ? -0.685 -15.300 -5.815 1.00 33.22 50 A 1 ATOM 404 N N . ASN A 1 51 ? -3.087 -9.517 -12.541 1.00 40.28 51 A 1 ATOM 405 C CA . ASN A 1 51 ? -3.822 -8.318 -12.932 1.00 40.32 51 A 1 ATOM 406 C C . ASN A 1 51 ? -4.189 -7.460 -11.695 1.00 41.40 51 A 1 ATOM 407 O O . ASN A 1 51 ? -5.343 -7.361 -11.289 1.00 39.37 51 A 1 ATOM 408 C CB . ASN A 1 51 ? -5.034 -8.789 -13.763 1.00 37.10 51 A 1 ATOM 409 C CG . ASN A 1 51 ? -5.682 -7.703 -14.603 1.00 33.98 51 A 1 ATOM 410 O OD1 . ASN A 1 51 ? -5.265 -6.559 -14.649 1.00 30.76 51 A 1 ATOM 411 N ND2 . ASN A 1 51 ? -6.720 -8.045 -15.327 1.00 30.40 51 A 1 ATOM 412 N N . ILE A 1 52 ? -3.191 -6.895 -11.038 1.00 39.98 52 A 1 ATOM 413 C CA . ILE A 1 52 ? -3.330 -5.901 -9.987 1.00 41.48 52 A 1 ATOM 414 C C . ILE A 1 52 ? -3.739 -4.650 -10.736 1.00 41.83 52 A 1 ATOM 415 O O . ILE A 1 52 ? -2.913 -3.971 -11.340 1.00 40.45 52 A 1 ATOM 416 C CB . ILE A 1 52 ? -2.047 -5.728 -9.141 1.00 39.29 52 A 1 ATOM 417 C CG1 . ILE A 1 52 ? -1.651 -7.066 -8.473 1.00 36.68 52 A 1 ATOM 418 C CG2 . ILE A 1 52 ? -2.278 -4.646 -8.072 1.00 36.15 52 A 1 ATOM 419 C CD1 . ILE A 1 52 ? -0.311 -7.025 -7.725 1.00 34.82 52 A 1 ATOM 420 N N . ALA A 1 53 ? -5.050 -4.390 -10.747 1.00 45.40 53 A 1 ATOM 421 C CA . ALA A 1 53 ? -5.627 -3.180 -11.295 1.00 46.32 53 A 1 ATOM 422 C C . ALA A 1 53 ? -5.051 -1.982 -10.530 1.00 47.14 53 A 1 ATOM 423 O O . ALA A 1 53 ? -5.599 -1.542 -9.522 1.00 45.35 53 A 1 ATOM 424 C CB . ALA A 1 53 ? -7.156 -3.282 -11.216 1.00 43.63 53 A 1 ATOM 425 N N . ILE A 1 54 ? -3.907 -1.483 -10.999 1.00 43.82 54 A 1 ATOM 426 C CA . ILE A 1 54 ? -3.362 -0.200 -10.571 1.00 45.15 54 A 1 ATOM 427 C C . ILE A 1 54 ? -4.439 0.824 -10.930 1.00 45.25 54 A 1 ATOM 428 O O . ILE A 1 54 ? -4.770 0.949 -12.115 1.00 44.55 54 A 1 ATOM 429 C CB . ILE A 1 54 ? -2.012 0.104 -11.248 1.00 43.82 54 A 1 ATOM 430 C CG1 . ILE A 1 54 ? -0.964 -0.979 -10.902 1.00 42.02 54 A 1 ATOM 431 C CG2 . ILE A 1 54 ? -1.516 1.492 -10.810 1.00 41.46 54 A 1 ATOM 432 C CD1 . ILE A 1 54 ? 0.360 -0.839 -11.662 1.00 41.13 54 A 1 ATOM 433 N N . PRO A 1 55 ? -5.041 1.507 -9.938 1.00 45.03 55 A 1 ATOM 434 C CA . PRO A 1 55 ? -6.077 2.489 -10.206 1.00 45.91 55 A 1 ATOM 435 C C . PRO A 1 55 ? -5.571 3.476 -11.265 1.00 46.99 55 A 1 ATOM 436 O O . PRO A 1 55 ? -4.438 3.948 -11.144 1.00 45.99 55 A 1 ATOM 437 C CB . PRO A 1 55 ? -6.365 3.174 -8.866 1.00 43.53 55 A 1 ATOM 438 C CG . PRO A 1 55 ? -5.926 2.145 -7.833 1.00 42.71 55 A 1 ATOM 439 C CD . PRO A 1 55 ? -4.773 1.417 -8.516 1.00 44.98 55 A 1 ATOM 440 N N . PRO A 1 56 ? -6.376 3.806 -12.300 1.00 47.74 56 A 1 ATOM 441 C CA . PRO A 1 56 ? -5.940 4.685 -13.393 1.00 49.51 56 A 1 ATOM 442 C C . PRO A 1 56 ? -5.426 6.044 -12.897 1.00 50.48 56 A 1 ATOM 443 O O . PRO A 1 56 ? -4.568 6.650 -13.527 1.00 49.34 56 A 1 ATOM 444 C CB . PRO A 1 56 ? -7.158 4.809 -14.317 1.00 48.93 56 A 1 ATOM 445 C CG . PRO A 1 56 ? -8.347 4.395 -13.452 1.00 48.45 56 A 1 ATOM 446 C CD . PRO A 1 56 ? -7.748 3.389 -12.486 1.00 51.13 56 A 1 ATOM 447 N N . THR A 1 57 ? -5.856 6.462 -11.704 1.00 49.88 57 A 1 ATOM 448 C CA . THR A 1 57 ? -5.388 7.662 -10.999 1.00 51.15 57 A 1 ATOM 449 C C . THR A 1 57 ? -3.884 7.643 -10.670 1.00 52.11 57 A 1 ATOM 450 O O . THR A 1 57 ? -3.266 8.698 -10.609 1.00 50.30 57 A 1 ATOM 451 C CB . THR A 1 57 ? -6.173 7.842 -9.685 1.00 48.89 57 A 1 ATOM 452 O OG1 . THR A 1 57 ? -7.370 7.087 -9.674 1.00 44.02 57 A 1 ATOM 453 C CG2 . THR A 1 57 ? -6.568 9.296 -9.455 1.00 43.71 57 A 1 ATOM 454 N N . LEU A 1 58 ? -3.285 6.469 -10.474 1.00 46.17 58 A 1 ATOM 455 C CA . LEU A 1 58 ? -1.848 6.330 -10.192 1.00 47.63 58 A 1 ATOM 456 C C . LEU A 1 58 ? -0.987 6.264 -11.462 1.00 48.90 58 A 1 ATOM 457 O O . LEU A 1 58 ? 0.219 6.454 -11.377 1.00 46.93 58 A 1 ATOM 458 C CB . LEU A 1 58 ? -1.611 5.096 -9.304 1.00 45.22 58 A 1 ATOM 459 C CG . LEU A 1 58 ? -2.089 5.247 -7.852 1.00 42.93 58 A 1 ATOM 460 C CD1 . LEU A 1 58 ? -2.024 3.894 -7.142 1.00 40.69 58 A 1 ATOM 461 C CD2 . LEU A 1 58 ? -1.231 6.225 -7.056 1.00 41.13 58 A 1 ATOM 462 N N . ARG A 1 59 ? -1.595 6.028 -12.640 1.00 46.63 59 A 1 ATOM 463 C CA . ARG A 1 59 ? -0.880 6.049 -13.933 1.00 47.81 59 A 1 ATOM 464 C C . ARG A 1 59 ? -0.585 7.463 -14.433 1.00 46.48 59 A 1 ATOM 465 O O . ARG A 1 59 ? 0.266 7.621 -15.297 1.00 44.78 59 A 1 ATOM 466 C CB . ARG A 1 59 ? -1.661 5.279 -15.007 1.00 46.44 59 A 1 ATOM 467 C CG . ARG A 1 59 ? -1.732 3.775 -14.730 1.00 44.45 59 A 1 ATOM 468 C CD . ARG A 1 59 ? -2.384 3.069 -15.922 1.00 43.12 59 A 1 ATOM 469 N NE . ARG A 1 59 ? -2.503 1.616 -15.707 1.00 41.50 59 A 1 ATOM 470 C CZ . ARG A 1 59 ? -2.983 0.738 -16.571 1.00 37.69 59 A 1 ATOM 471 N NH1 . ARG A 1 59 ? -3.403 1.093 -17.754 1.00 37.37 59 A 1 ATOM 472 N NH2 . ARG A 1 59 ? -3.049 -0.525 -16.257 1.00 36.06 59 A 1 ATOM 473 N N . CYS A 1 60 ? -1.288 8.467 -13.902 1.00 52.22 60 A 1 ATOM 474 C CA . CYS A 1 60 ? -1.126 9.868 -14.298 1.00 52.43 60 A 1 ATOM 475 C C . CYS A 1 60 ? -0.107 10.632 -13.438 1.00 54.91 60 A 1 ATOM 476 O O . CYS A 1 60 ? 0.164 11.789 -13.734 1.00 51.36 60 A 1 ATOM 477 C CB . CYS A 1 60 ? -2.496 10.559 -14.259 1.00 47.07 60 A 1 ATOM 478 S SG . CYS A 1 60 ? -3.641 9.786 -15.431 1.00 39.90 60 A 1 ATOM 479 N N . LEU A 1 61 ? 0.422 10.017 -12.377 1.00 54.07 61 A 1 ATOM 480 C CA . LEU A 1 61 ? 1.406 10.652 -11.504 1.00 56.07 61 A 1 ATOM 481 C C . LEU A 1 61 ? 2.813 10.442 -12.064 1.00 56.73 61 A 1 ATOM 482 O O . LEU A 1 61 ? 3.196 9.322 -12.408 1.00 55.64 61 A 1 ATOM 483 C CB . LEU A 1 61 ? 1.268 10.113 -10.072 1.00 54.33 61 A 1 ATOM 484 C CG . LEU A 1 61 ? -0.028 10.561 -9.372 1.00 52.51 61 A 1 ATOM 485 C CD1 . LEU A 1 61 ? -0.218 9.773 -8.074 1.00 50.85 61 A 1 ATOM 486 C CD2 . LEU A 1 61 ? -0.023 12.042 -9.018 1.00 50.64 61 A 1 ATOM 487 N N . THR A 1 62 ? 3.575 11.519 -12.130 1.00 61.82 62 A 1 ATOM 488 C CA . THR A 1 62 ? 4.995 11.443 -12.474 1.00 63.95 62 A 1 ATOM 489 C C . THR A 1 62 ? 5.760 10.660 -11.391 1.00 63.59 62 A 1 ATOM 490 O O . THR A 1 62 ? 5.344 10.622 -10.227 1.00 63.10 62 A 1 ATOM 491 C CB . THR A 1 62 ? 5.600 12.840 -12.683 1.00 63.95 62 A 1 ATOM 492 O OG1 . THR A 1 62 ? 5.460 13.608 -11.523 1.00 60.07 62 A 1 ATOM 493 C CG2 . THR A 1 62 ? 4.949 13.592 -13.846 1.00 59.18 62 A 1 ATOM 494 N N . PRO A 1 63 ? 6.880 10.008 -11.730 1.00 59.91 63 A 1 ATOM 495 C CA . PRO A 1 63 ? 7.660 9.242 -10.751 1.00 59.67 63 A 1 ATOM 496 C C . PRO A 1 63 ? 8.111 10.084 -9.544 1.00 61.37 63 A 1 ATOM 497 O O . PRO A 1 63 ? 8.235 9.559 -8.441 1.00 59.93 63 A 1 ATOM 498 C CB . PRO A 1 63 ? 8.843 8.668 -11.546 1.00 57.22 63 A 1 ATOM 499 C CG . PRO A 1 63 ? 8.929 9.533 -12.802 1.00 54.66 63 A 1 ATOM 500 C CD . PRO A 1 63 ? 7.485 9.950 -13.046 1.00 56.15 63 A 1 ATOM 501 N N . GLU A 1 64 ? 8.282 11.395 -9.722 1.00 59.19 64 A 1 ATOM 502 C CA . GLU A 1 64 ? 8.601 12.342 -8.645 1.00 62.78 64 A 1 ATOM 503 C C . GLU A 1 64 ? 7.417 12.571 -7.693 1.00 63.91 64 A 1 ATOM 504 O O . GLU A 1 64 ? 7.592 12.564 -6.472 1.00 64.21 64 A 1 ATOM 505 C CB . GLU A 1 64 ? 9.055 13.673 -9.252 1.00 62.72 64 A 1 ATOM 506 C CG . GLU A 1 64 ? 10.347 13.511 -10.071 1.00 57.84 64 A 1 ATOM 507 C CD . GLU A 1 64 ? 10.927 14.863 -10.516 1.00 53.88 64 A 1 ATOM 508 O OE1 . GLU A 1 64 ? 12.168 14.924 -10.634 1.00 52.02 64 A 1 ATOM 509 O OE2 . GLU A 1 64 ? 10.135 15.806 -10.731 1.00 51.76 64 A 1 ATOM 510 N N . GLU A 1 65 ? 6.201 12.703 -8.222 1.00 57.83 65 A 1 ATOM 511 C CA . GLU A 1 65 ? 4.978 12.849 -7.421 1.00 59.98 65 A 1 ATOM 512 C C . GLU A 1 65 ? 4.663 11.567 -6.645 1.00 60.70 65 A 1 ATOM 513 O O . GLU A 1 65 ? 4.284 11.625 -5.472 1.00 60.80 65 A 1 ATOM 514 C CB . GLU A 1 65 ? 3.806 13.203 -8.336 1.00 59.08 65 A 1 ATOM 515 C CG . GLU A 1 65 ? 3.913 14.631 -8.896 1.00 54.94 65 A 1 ATOM 516 C CD . GLU A 1 65 ? 2.893 14.871 -10.014 1.00 52.01 65 A 1 ATOM 517 O OE1 . GLU A 1 65 ? 2.277 15.956 -10.019 1.00 52.29 65 A 1 ATOM 518 O OE2 . GLU A 1 65 ? 2.748 13.959 -10.866 1.00 51.29 65 A 1 ATOM 519 N N . LEU A 1 66 ? 4.887 10.407 -7.251 1.00 55.63 66 A 1 ATOM 520 C CA . LEU A 1 66 ? 4.756 9.113 -6.585 1.00 55.65 66 A 1 ATOM 521 C C . LEU A 1 66 ? 5.765 8.967 -5.432 1.00 55.98 66 A 1 ATOM 522 O O . LEU A 1 66 ? 5.414 8.495 -4.350 1.00 54.46 66 A 1 ATOM 523 C CB . LEU A 1 66 ? 4.935 8.004 -7.640 1.00 53.77 66 A 1 ATOM 524 C CG . LEU A 1 66 ? 4.465 6.625 -7.150 1.00 49.90 66 A 1 ATOM 525 C CD1 . LEU A 1 66 ? 2.940 6.524 -7.145 1.00 46.90 66 A 1 ATOM 526 C CD2 . LEU A 1 66 ? 5.011 5.529 -8.063 1.00 47.31 66 A 1 ATOM 527 N N . LYS A 1 67 ? 6.992 9.435 -5.634 1.00 56.46 67 A 1 ATOM 528 C CA . LYS A 1 67 ? 8.052 9.476 -4.620 1.00 57.15 67 A 1 ATOM 529 C C . LYS A 1 67 ? 7.691 10.415 -3.464 1.00 56.79 67 A 1 ATOM 530 O O . LYS A 1 67 ? 7.851 10.043 -2.298 1.00 55.97 67 A 1 ATOM 531 C CB . LYS A 1 67 ? 9.357 9.869 -5.333 1.00 56.32 67 A 1 ATOM 532 C CG . LYS A 1 67 ? 10.609 9.784 -4.459 1.00 52.77 67 A 1 ATOM 533 C CD . LYS A 1 67 ? 11.869 10.014 -5.325 1.00 49.88 67 A 1 ATOM 534 C CE . LYS A 1 67 ? 13.131 9.999 -4.469 1.00 48.24 67 A 1 ATOM 535 N NZ . LYS A 1 67 ? 14.390 9.924 -5.258 1.00 43.09 67 A 1 ATOM 536 N N . ALA A 1 68 ? 7.133 11.592 -3.763 1.00 61.75 68 A 1 ATOM 537 C CA . ALA A 1 68 ? 6.651 12.542 -2.760 1.00 61.86 68 A 1 ATOM 538 C C . ALA A 1 68 ? 5.479 11.973 -1.938 1.00 60.69 68 A 1 ATOM 539 O O . ALA A 1 68 ? 5.476 12.068 -0.708 1.00 59.12 68 A 1 ATOM 540 C CB . ALA A 1 68 ? 6.271 13.846 -3.471 1.00 61.70 68 A 1 ATOM 541 N N . LEU A 1 69 ? 4.520 11.308 -2.593 1.00 55.81 69 A 1 ATOM 542 C CA . LEU A 1 69 ? 3.401 10.627 -1.936 1.00 55.89 69 A 1 ATOM 543 C C . LEU A 1 69 ? 3.877 9.487 -1.030 1.00 55.44 69 A 1 ATOM 544 O O . LEU A 1 69 ? 3.466 9.414 0.129 1.00 53.99 69 A 1 ATOM 545 C CB . LEU A 1 69 ? 2.422 10.125 -3.016 1.00 54.37 69 A 1 ATOM 546 C CG . LEU A 1 69 ? 1.159 10.999 -3.106 1.00 50.40 69 A 1 ATOM 547 C CD1 . LEU A 1 69 ? 0.608 11.021 -4.525 1.00 47.12 69 A 1 ATOM 548 C CD2 . LEU A 1 69 ? 0.073 10.465 -2.176 1.00 48.04 69 A 1 ATOM 549 N N . ALA A 1 70 ? 4.790 8.651 -1.509 1.00 58.08 70 A 1 ATOM 550 C CA . ALA A 1 70 ? 5.390 7.584 -0.711 1.00 56.23 70 A 1 ATOM 551 C C . ALA A 1 70 ? 6.119 8.142 0.524 1.00 55.60 70 A 1 ATOM 552 O O . ALA A 1 70 ? 5.952 7.625 1.629 1.00 53.76 70 A 1 ATOM 553 C CB . ALA A 1 70 ? 6.332 6.771 -1.609 1.00 54.44 70 A 1 ATOM 554 N N . PHE A 1 71 ? 6.847 9.254 0.372 1.00 55.38 71 A 1 ATOM 555 C CA . PHE A 1 71 ? 7.531 9.935 1.472 1.00 56.15 71 A 1 ATOM 556 C C . PHE A 1 71 ? 6.556 10.464 2.534 1.00 56.15 71 A 1 ATOM 557 O O . PHE A 1 71 ? 6.761 10.253 3.734 1.00 55.21 71 A 1 ATOM 558 C CB . PHE A 1 71 ? 8.388 11.063 0.891 1.00 55.63 71 A 1 ATOM 559 C CG . PHE A 1 71 ? 9.296 11.720 1.910 1.00 51.45 71 A 1 ATOM 560 C CD1 . PHE A 1 71 ? 8.892 12.885 2.588 1.00 49.61 71 A 1 ATOM 561 C CD2 . PHE A 1 71 ? 10.558 11.162 2.172 1.00 49.64 71 A 1 ATOM 562 C CE1 . PHE A 1 71 ? 9.756 13.488 3.521 1.00 45.22 71 A 1 ATOM 563 C CE2 . PHE A 1 71 ? 11.420 11.769 3.105 1.00 46.21 71 A 1 ATOM 564 C CZ . PHE A 1 71 ? 11.018 12.932 3.778 1.00 45.60 71 A 1 ATOM 565 N N . VAL A 1 72 ? 5.461 11.109 2.112 1.00 56.48 72 A 1 ATOM 566 C CA . VAL A 1 72 ? 4.415 11.621 3.018 1.00 56.41 72 A 1 ATOM 567 C C . VAL A 1 72 ? 3.724 10.478 3.767 1.00 55.81 72 A 1 ATOM 568 O O . VAL A 1 72 ? 3.529 10.565 4.983 1.00 54.08 72 A 1 ATOM 569 C CB . VAL A 1 72 ? 3.399 12.482 2.240 1.00 55.42 72 A 1 ATOM 570 C CG1 . VAL A 1 72 ? 2.184 12.877 3.094 1.00 51.23 72 A 1 ATOM 571 C CG2 . VAL A 1 72 ? 4.055 13.789 1.768 1.00 51.22 72 A 1 ATOM 572 N N . VAL A 1 73 ? 3.405 9.387 3.077 1.00 53.95 73 A 1 ATOM 573 C CA . VAL A 1 73 ? 2.797 8.192 3.678 1.00 53.56 73 A 1 ATOM 574 C C . VAL A 1 73 ? 3.751 7.553 4.691 1.00 53.77 73 A 1 ATOM 575 O O . VAL A 1 73 ? 3.351 7.329 5.833 1.00 52.12 73 A 1 ATOM 576 C CB . VAL A 1 73 ? 2.344 7.201 2.591 1.00 51.73 73 A 1 ATOM 577 C CG1 . VAL A 1 73 ? 1.872 5.867 3.185 1.00 48.00 73 A 1 ATOM 578 C CG2 . VAL A 1 73 ? 1.159 7.785 1.803 1.00 47.18 73 A 1 ATOM 579 N N . CYS A 1 74 ? 5.016 7.359 4.351 1.00 52.32 74 A 1 ATOM 580 C CA . CYS A 1 74 ? 6.021 6.831 5.279 1.00 52.91 74 A 1 ATOM 581 C C . CYS A 1 74 ? 6.196 7.721 6.520 1.00 53.66 74 A 1 ATOM 582 O O . CYS A 1 74 ? 6.233 7.220 7.642 1.00 51.62 74 A 1 ATOM 583 C CB . CYS A 1 74 ? 7.355 6.665 4.536 1.00 51.24 74 A 1 ATOM 584 S SG . CYS A 1 74 ? 7.248 5.248 3.415 1.00 46.29 74 A 1 ATOM 585 N N . LYS A 1 75 ? 6.214 9.049 6.345 1.00 53.49 75 A 1 ATOM 586 C CA . LYS A 1 75 ? 6.338 10.014 7.454 1.00 55.47 75 A 1 ATOM 587 C C . LYS A 1 75 ? 5.113 10.017 8.378 1.00 55.07 75 A 1 ATOM 588 O O . LYS A 1 75 ? 5.258 10.191 9.588 1.00 53.51 75 A 1 ATOM 589 C CB . LYS A 1 75 ? 6.627 11.398 6.854 1.00 55.26 75 A 1 ATOM 590 C CG . LYS A 1 75 ? 7.151 12.408 7.887 1.00 52.32 75 A 1 ATOM 591 C CD . LYS A 1 75 ? 7.576 13.705 7.180 1.00 51.04 75 A 1 ATOM 592 C CE . LYS A 1 75 ? 8.227 14.693 8.157 1.00 48.37 75 A 1 ATOM 593 N NZ . LYS A 1 75 ? 8.725 15.910 7.459 1.00 43.82 75 A 1 ATOM 594 N N . SER A 1 76 ? 3.912 9.803 7.830 1.00 52.01 76 A 1 ATOM 595 C CA . SER A 1 76 ? 2.682 9.686 8.623 1.00 52.20 76 A 1 ATOM 596 C C . SER A 1 76 ? 2.612 8.365 9.404 1.00 52.18 76 A 1 ATOM 597 O O . SER A 1 76 ? 2.220 8.365 10.569 1.00 49.86 76 A 1 ATOM 598 C CB . SER A 1 76 ? 1.451 9.889 7.732 1.00 50.56 76 A 1 ATOM 599 O OG . SER A 1 76 ? 1.221 8.797 6.872 1.00 45.68 76 A 1 ATOM 600 N N . GLN A 1 77 ? 3.076 7.267 8.823 1.00 50.19 77 A 1 ATOM 601 C CA . GLN A 1 77 ? 3.174 5.951 9.465 1.00 51.91 77 A 1 ATOM 602 C C . GLN A 1 77 ? 4.227 5.939 10.583 1.00 52.61 77 A 1 ATOM 603 O O . GLN A 1 77 ? 4.000 5.359 11.647 1.00 50.80 77 A 1 ATOM 604 C CB . GLN A 1 77 ? 3.508 4.899 8.389 1.00 49.63 77 A 1 ATOM 605 C CG . GLN A 1 77 ? 2.343 4.631 7.415 1.00 45.19 77 A 1 ATOM 606 C CD . GLN A 1 77 ? 1.257 3.716 7.974 1.00 41.99 77 A 1 ATOM 607 O OE1 . GLN A 1 77 ? 1.499 2.839 8.776 1.00 41.85 77 A 1 ATOM 608 N NE2 . GLN A 1 77 ? 0.023 3.871 7.545 1.00 39.70 77 A 1 ATOM 609 N N . LEU A 1 78 ? 5.336 6.655 10.405 1.00 49.11 78 A 1 ATOM 610 C CA . LEU A 1 78 ? 6.386 6.785 11.425 1.00 49.28 78 A 1 ATOM 611 C C . LEU A 1 78 ? 5.861 7.427 12.721 1.00 49.66 78 A 1 ATOM 612 O O . LEU A 1 78 ? 6.230 7.002 13.815 1.00 46.89 78 A 1 ATOM 613 C CB . LEU A 1 78 ? 7.556 7.603 10.837 1.00 48.36 78 A 1 ATOM 614 C CG . LEU A 1 78 ? 8.907 7.297 11.517 1.00 44.50 78 A 1 ATOM 615 C CD1 . LEU A 1 78 ? 9.509 6.006 10.964 1.00 41.79 78 A 1 ATOM 616 C CD2 . LEU A 1 78 ? 9.901 8.424 11.264 1.00 43.29 78 A 1 ATOM 617 N N . LYS A 1 79 ? 4.941 8.406 12.604 1.00 48.61 79 A 1 ATOM 618 C CA . LYS A 1 79 ? 4.312 9.054 13.770 1.00 50.25 79 A 1 ATOM 619 C C . LYS A 1 79 ? 3.346 8.141 14.536 1.00 49.57 79 A 1 ATOM 620 O O . LYS A 1 79 ? 3.126 8.361 15.720 1.00 47.81 79 A 1 ATOM 621 C CB . LYS A 1 79 ? 3.589 10.340 13.340 1.00 50.00 79 A 1 ATOM 622 C CG . LYS A 1 79 ? 4.567 11.488 13.038 1.00 46.70 79 A 1 ATOM 623 C CD . LYS A 1 79 ? 3.788 12.776 12.747 1.00 45.56 79 A 1 ATOM 624 C CE . LYS A 1 79 ? 4.747 13.949 12.537 1.00 43.39 79 A 1 ATOM 625 N NZ . LYS A 1 79 ? 4.013 15.239 12.402 1.00 40.26 79 A 1 ATOM 626 N N . THR A 1 80 ? 2.769 7.139 13.888 1.00 46.46 80 A 1 ATOM 627 C CA . THR A 1 80 ? 1.822 6.195 14.510 1.00 46.81 80 A 1 ATOM 628 C C . THR A 1 80 ? 2.489 4.933 15.065 1.00 46.95 80 A 1 ATOM 629 O O . THR A 1 80 ? 1.859 4.190 15.810 1.00 44.67 80 A 1 ATOM 630 C CB . THR A 1 80 ? 0.691 5.831 13.538 1.00 44.69 80 A 1 ATOM 631 O OG1 . THR A 1 80 ? 1.181 5.441 12.281 1.00 40.64 80 A 1 ATOM 632 C CG2 . THR A 1 80 ? -0.240 7.021 13.301 1.00 40.03 80 A 1 ATOM 633 N N . THR A 1 81 ? 3.753 4.688 14.744 1.00 44.71 81 A 1 ATOM 634 C CA . THR A 1 81 ? 4.492 3.466 15.124 1.00 46.11 81 A 1 ATOM 635 C C . THR A 1 81 ? 5.551 3.683 16.204 1.00 46.18 81 A 1 ATOM 636 O O . THR A 1 81 ? 6.427 2.844 16.384 1.00 44.19 81 A 1 ATOM 637 C CB . THR A 1 81 ? 5.078 2.753 13.898 1.00 44.08 81 A 1 ATOM 638 O OG1 . THR A 1 81 ? 5.808 3.648 13.095 1.00 40.58 81 A 1 ATOM 639 C CG2 . THR A 1 81 ? 3.991 2.131 13.021 1.00 39.71 81 A 1 ATOM 640 N N . THR A 1 82 ? 5.451 4.772 16.981 1.00 44.51 82 A 1 ATOM 641 C CA . THR A 1 82 ? 6.374 5.052 18.107 1.00 45.52 82 A 1 ATOM 642 C C . THR A 1 82 ? 6.279 4.051 19.266 1.00 46.10 82 A 1 ATOM 643 O O . THR A 1 82 ? 7.007 4.182 20.249 1.00 44.13 82 A 1 ATOM 644 C CB . THR A 1 82 ? 6.214 6.490 18.649 1.00 43.26 82 A 1 ATOM 645 O OG1 . THR A 1 82 ? 5.461 7.306 17.778 1.00 39.44 82 A 1 ATOM 646 C CG2 . THR A 1 82 ? 7.565 7.183 18.816 1.00 38.55 82 A 1 ATOM 647 N N . VAL A 1 83 ? 5.433 3.031 19.152 1.00 42.36 83 A 1 ATOM 648 C CA . VAL A 1 83 ? 5.327 1.945 20.131 1.00 43.74 83 A 1 ATOM 649 C C . VAL A 1 83 ? 5.695 0.622 19.451 1.00 44.74 83 A 1 ATOM 650 O O . VAL A 1 83 ? 4.870 -0.025 18.817 1.00 42.09 83 A 1 ATOM 651 C CB . VAL A 1 83 ? 3.942 1.927 20.811 1.00 40.80 83 A 1 ATOM 652 C CG1 . VAL A 1 83 ? 3.939 0.947 21.986 1.00 36.89 83 A 1 ATOM 653 C CG2 . VAL A 1 83 ? 3.558 3.311 21.366 1.00 36.89 83 A 1 ATOM 654 N N . GLY A 1 84 ? 6.951 0.232 19.572 1.00 44.00 84 A 1 ATOM 655 C CA . GLY A 1 84 ? 7.398 -1.139 19.326 1.00 46.20 84 A 1 ATOM 656 C C . GLY A 1 84 ? 8.042 -1.430 17.965 1.00 48.57 84 A 1 ATOM 657 O O . GLY A 1 84 ? 7.394 -1.891 17.033 1.00 45.79 84 A 1 ATOM 658 N N . GLY A 1 85 ? 9.350 -1.257 17.865 1.00 45.14 85 A 1 ATOM 659 C CA . GLY A 1 85 ? 10.239 -2.032 16.976 1.00 47.03 85 A 1 ATOM 660 C C . GLY A 1 85 ? 10.179 -1.848 15.453 1.00 48.57 85 A 1 ATOM 661 O O . GLY A 1 85 ? 11.127 -2.235 14.764 1.00 46.00 85 A 1 ATOM 662 N N . ARG A 1 86 ? 9.119 -1.249 14.887 1.00 42.76 86 A 1 ATOM 663 C CA . ARG A 1 86 ? 8.898 -1.153 13.422 1.00 45.88 86 A 1 ATOM 664 C C . ARG A 1 86 ? 9.627 0.013 12.733 1.00 46.76 86 A 1 ATOM 665 O O . ARG A 1 86 ? 9.646 0.085 11.509 1.00 46.28 86 A 1 ATOM 666 C CB . ARG A 1 86 ? 7.392 -1.156 13.123 1.00 45.52 86 A 1 ATOM 667 C CG . ARG A 1 86 ? 6.750 -2.516 13.447 1.00 40.97 86 A 1 ATOM 668 C CD . ARG A 1 86 ? 5.280 -2.546 13.030 1.00 39.83 86 A 1 ATOM 669 N NE . ARG A 1 86 ? 4.651 -3.847 13.336 1.00 38.59 86 A 1 ATOM 670 C CZ . ARG A 1 86 ? 3.402 -4.199 13.079 1.00 38.44 86 A 1 ATOM 671 N NH1 . ARG A 1 86 ? 2.558 -3.390 12.498 1.00 36.84 86 A 1 ATOM 672 N NH2 . ARG A 1 86 ? 2.978 -5.387 13.403 1.00 36.68 86 A 1 ATOM 673 N N . MET A 1 87 ? 10.283 0.884 13.492 1.00 41.16 87 A 1 ATOM 674 C CA . MET A 1 87 ? 10.987 2.069 12.977 1.00 41.91 87 A 1 ATOM 675 C C . MET A 1 87 ? 12.152 1.728 12.024 1.00 44.29 87 A 1 ATOM 676 O O . MET A 1 87 ? 12.438 2.484 11.099 1.00 43.44 87 A 1 ATOM 677 C CB . MET A 1 87 ? 11.454 2.908 14.181 1.00 41.09 87 A 1 ATOM 678 C CG . MET A 1 87 ? 11.583 4.389 13.837 1.00 36.60 87 A 1 ATOM 679 S SD . MET A 1 87 ? 11.610 5.483 15.288 1.00 34.02 87 A 1 ATOM 680 C CE . MET A 1 87 ? 13.369 5.477 15.692 1.00 32.96 87 A 1 ATOM 681 N N . LYS A 1 88 ? 12.785 0.561 12.187 1.00 40.59 88 A 1 ATOM 682 C CA . LYS A 1 88 ? 13.921 0.129 11.344 1.00 42.82 88 A 1 ATOM 683 C C . LYS A 1 88 ? 13.534 -0.196 9.897 1.00 42.85 88 A 1 ATOM 684 O O . LYS A 1 88 ? 14.340 0.023 9.000 1.00 42.20 88 A 1 ATOM 685 C CB . LYS A 1 88 ? 14.642 -1.066 11.993 1.00 43.27 88 A 1 ATOM 686 C CG . LYS A 1 88 ? 15.449 -0.663 13.240 1.00 39.70 88 A 1 ATOM 687 C CD . LYS A 1 88 ? 16.239 -1.856 13.807 1.00 38.23 88 A 1 ATOM 688 C CE . LYS A 1 88 ? 17.073 -1.425 15.024 1.00 36.50 88 A 1 ATOM 689 N NZ . LYS A 1 88 ? 17.861 -2.548 15.605 1.00 34.61 88 A 1 ATOM 690 N N . VAL A 1 89 ? 12.317 -0.696 9.663 1.00 44.47 89 A 1 ATOM 691 C CA . VAL A 1 89 ? 11.849 -1.089 8.322 1.00 45.42 89 A 1 ATOM 692 C C . VAL A 1 89 ? 11.507 0.145 7.487 1.00 45.84 89 A 1 ATOM 693 O O . VAL A 1 89 ? 11.947 0.258 6.345 1.00 44.36 89 A 1 ATOM 694 C CB . VAL A 1 89 ? 10.659 -2.064 8.419 1.00 43.67 89 A 1 ATOM 695 C CG1 . VAL A 1 89 ? 10.189 -2.521 7.031 1.00 40.12 89 A 1 ATOM 696 C CG2 . VAL A 1 89 ? 11.036 -3.317 9.224 1.00 39.51 89 A 1 ATOM 697 N N . VAL A 1 90 ? 10.812 1.119 8.088 1.00 44.79 90 A 1 ATOM 698 C CA . VAL A 1 90 ? 10.396 2.359 7.412 1.00 45.85 90 A 1 ATOM 699 C C . VAL A 1 90 ? 11.605 3.222 7.028 1.00 46.35 90 A 1 ATOM 700 O O . VAL A 1 90 ? 11.653 3.769 5.930 1.00 45.06 90 A 1 ATOM 701 C CB . VAL A 1 90 ? 9.406 3.138 8.295 1.00 44.53 90 A 1 ATOM 702 C CG1 . VAL A 1 90 ? 8.891 4.394 7.581 1.00 41.02 90 A 1 ATOM 703 C CG2 . VAL A 1 90 ? 8.186 2.284 8.662 1.00 40.28 90 A 1 ATOM 704 N N . LEU A 1 91 ? 12.624 3.289 7.884 1.00 43.46 91 A 1 ATOM 705 C CA . LEU A 1 91 ? 13.860 4.030 7.598 1.00 44.09 91 A 1 ATOM 706 C C . LEU A 1 91 ? 14.642 3.434 6.414 1.00 45.55 91 A 1 ATOM 707 O O . LEU A 1 91 ? 15.236 4.168 5.630 1.00 44.08 91 A 1 ATOM 708 C CB . LEU A 1 91 ? 14.725 4.057 8.875 1.00 42.84 91 A 1 ATOM 709 C CG . LEU A 1 91 ? 15.569 5.340 8.995 1.00 38.94 91 A 1 ATOM 710 C CD1 . LEU A 1 91 ? 14.722 6.494 9.540 1.00 35.61 91 A 1 ATOM 711 C CD2 . LEU A 1 91 ? 16.736 5.116 9.956 1.00 37.21 91 A 1 ATOM 712 N N . ARG A 1 92 ? 14.598 2.106 6.247 1.00 44.88 92 A 1 ATOM 713 C CA . ARG A 1 92 ? 15.300 1.398 5.166 1.00 45.14 92 A 1 ATOM 714 C C . ARG A 1 92 ? 14.621 1.592 3.807 1.00 44.70 92 A 1 ATOM 715 O O . ARG A 1 92 ? 15.312 1.763 2.811 1.00 43.36 92 A 1 ATOM 716 C CB . ARG A 1 92 ? 15.440 -0.081 5.561 1.00 43.52 92 A 1 ATOM 717 C CG . ARG A 1 92 ? 16.700 -0.724 4.975 1.00 39.73 92 A 1 ATOM 718 C CD . ARG A 1 92 ? 16.861 -2.145 5.528 1.00 37.51 92 A 1 ATOM 719 N NE . ARG A 1 92 ? 18.177 -2.717 5.197 1.00 36.31 92 A 1 ATOM 720 C CZ . ARG A 1 92 ? 18.608 -3.929 5.506 1.00 34.99 92 A 1 ATOM 721 N NH1 . ARG A 1 92 ? 17.863 -4.788 6.142 1.00 33.82 92 A 1 ATOM 722 N NH2 . ARG A 1 92 ? 19.817 -4.302 5.175 1.00 34.13 92 A 1 ATOM 723 N N . VAL A 1 93 ? 13.280 1.646 3.788 1.00 46.92 93 A 1 ATOM 724 C CA . VAL A 1 93 ? 12.488 1.983 2.588 1.00 46.57 93 A 1 ATOM 725 C C . VAL A 1 93 ? 12.730 3.435 2.167 1.00 46.53 93 A 1 ATOM 726 O O . VAL A 1 93 ? 12.917 3.712 0.984 1.00 45.43 93 A 1 ATOM 727 C CB . VAL A 1 93 ? 10.995 1.710 2.844 1.00 45.33 93 A 1 ATOM 728 C CG1 . VAL A 1 93 ? 10.103 2.163 1.680 1.00 42.36 93 A 1 ATOM 729 C CG2 . VAL A 1 93 ? 10.746 0.210 3.055 1.00 41.52 93 A 1 ATOM 730 N N . LEU A 1 94 ? 12.822 4.366 3.116 1.00 43.89 94 A 1 ATOM 731 C CA . LEU A 1 94 ? 13.128 5.772 2.844 1.00 43.88 94 A 1 ATOM 732 C C . LEU A 1 94 ? 14.507 5.947 2.190 1.00 44.11 94 A 1 ATOM 733 O O . LEU A 1 94 ? 14.642 6.718 1.244 1.00 42.72 94 A 1 ATOM 734 C CB . LEU A 1 94 ? 13.038 6.554 4.167 1.00 42.65 94 A 1 ATOM 735 C CG . LEU A 1 94 ? 12.762 8.052 3.954 1.00 39.10 94 A 1 ATOM 736 C CD1 . LEU A 1 94 ? 11.267 8.283 3.696 1.00 36.04 94 A 1 ATOM 737 C CD2 . LEU A 1 94 ? 13.154 8.844 5.197 1.00 37.02 94 A 1 ATOM 738 N N . LEU A 1 95 ? 15.510 5.198 2.645 1.00 43.26 95 A 1 ATOM 739 C CA . LEU A 1 95 ? 16.865 5.216 2.092 1.00 43.82 95 A 1 ATOM 740 C C . LEU A 1 95 ? 16.913 4.681 0.649 1.00 44.24 95 A 1 ATOM 741 O O . LEU A 1 95 ? 17.606 5.243 -0.187 1.00 42.71 95 A 1 ATOM 742 C CB . LEU A 1 95 ? 17.795 4.400 3.013 1.00 42.29 95 A 1 ATOM 743 C CG . LEU A 1 95 ? 19.214 4.999 3.092 1.00 38.43 95 A 1 ATOM 744 C CD1 . LEU A 1 95 ? 19.326 5.936 4.304 1.00 35.01 95 A 1 ATOM 745 C CD2 . LEU A 1 95 ? 20.262 3.903 3.247 1.00 36.90 95 A 1 ATOM 746 N N . LEU A 1 96 ? 16.140 3.636 0.347 1.00 42.58 96 A 1 ATOM 747 C CA . LEU A 1 96 ? 16.038 3.015 -0.984 1.00 43.18 96 A 1 ATOM 748 C C . LEU A 1 96 ? 15.337 3.900 -2.027 1.00 42.75 96 A 1 ATOM 749 O O . LEU A 1 96 ? 15.596 3.769 -3.218 1.00 40.71 96 A 1 ATOM 750 C CB . LEU A 1 96 ? 15.298 1.671 -0.822 1.00 41.65 96 A 1 ATOM 751 C CG . LEU A 1 96 ? 16.221 0.456 -1.020 1.00 38.42 96 A 1 ATOM 752 C CD1 . LEU A 1 96 ? 15.856 -0.672 -0.057 1.00 35.27 96 A 1 ATOM 753 C CD2 . LEU A 1 96 ? 16.099 -0.071 -2.447 1.00 36.65 96 A 1 ATOM 754 N N . ILE A 1 97 ? 14.456 4.800 -1.591 1.00 40.44 97 A 1 ATOM 755 C CA . ILE A 1 97 ? 13.761 5.737 -2.478 1.00 40.89 97 A 1 ATOM 756 C C . ILE A 1 97 ? 14.640 6.970 -2.755 1.00 40.13 97 A 1 ATOM 757 O O . ILE A 1 97 ? 14.511 7.582 -3.810 1.00 39.02 97 A 1 ATOM 758 C CB . ILE A 1 97 ? 12.373 6.083 -1.886 1.00 40.30 97 A 1 ATOM 759 C CG1 . ILE A 1 97 ? 11.462 4.828 -1.862 1.00 38.36 97 A 1 ATOM 760 C CG2 . ILE A 1 97 ? 11.663 7.191 -2.685 1.00 37.90 97 A 1 ATOM 761 C CD1 . ILE A 1 97 ? 10.190 4.994 -1.021 1.00 37.11 97 A 1 ATOM 762 N N . THR A 1 98 ? 15.526 7.361 -1.850 1.00 39.32 98 A 1 ATOM 763 C CA . THR A 1 98 ? 16.373 8.561 -2.003 1.00 39.30 98 A 1 ATOM 764 C C . THR A 1 98 ? 17.698 8.330 -2.731 1.00 38.47 98 A 1 ATOM 765 O O . THR A 1 98 ? 18.338 9.319 -3.079 1.00 36.43 98 A 1 ATOM 766 C CB . THR A 1 98 ? 16.637 9.249 -0.656 1.00 37.46 98 A 1 ATOM 767 O OG1 . THR A 1 98 ? 16.930 8.326 0.363 1.00 34.70 98 A 1 ATOM 768 C CG2 . THR A 1 98 ? 15.413 10.045 -0.191 1.00 34.30 98 A 1 ATOM 769 N N . HIS A 1 99 ? 18.082 7.088 -2.994 1.00 40.47 99 A 1 ATOM 770 C CA . HIS A 1 99 ? 19.333 6.709 -3.663 1.00 40.45 99 A 1 ATOM 771 C C . HIS A 1 99 ? 19.074 6.161 -5.072 1.00 37.99 99 A 1 ATOM 772 O O . HIS A 1 99 ? 19.889 6.464 -5.974 1.00 35.51 99 A 1 ATOM 773 C CB . HIS A 1 99 ? 20.087 5.714 -2.754 1.00 38.09 99 A 1 ATOM 774 C CG . HIS A 1 99 ? 21.577 5.932 -2.807 1.00 35.56 99 A 1 ATOM 775 N ND1 . HIS A 1 99 ? 22.370 5.861 -3.927 1.00 32.03 99 A 1 ATOM 776 C CD2 . HIS A 1 99 ? 22.387 6.301 -1.760 1.00 31.34 99 A 1 ATOM 777 C CE1 . HIS A 1 99 ? 23.624 6.189 -3.569 1.00 34.04 99 A 1 ATOM 778 N NE2 . HIS A 1 99 ? 23.680 6.460 -2.254 1.00 34.81 99 A 1 ATOM 779 O OXT . HIS A 1 99 ? 18.068 5.446 -5.208 1.00 33.56 99 A 1 #