# 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_ycf66 # _entry.id ycf66 # 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" "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 ILE 2 1 n ASN 3 1 n ILE 4 1 n ILE 5 1 n VAL 6 1 n GLU 7 1 n PRO 8 1 n ALA 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n GLY 13 1 n VAL 14 1 n THR 15 1 n PHE 16 1 n ALA 17 1 n VAL 18 1 n LEU 19 1 n MET 20 1 n ILE 21 1 n LEU 22 1 n LEU 23 1 n TYR 24 1 n GLY 25 1 n LEU 26 1 n ARG 27 1 n PHE 28 1 n ILE 29 1 n ASN 30 1 n PRO 31 1 n ASP 32 1 n LEU 33 1 n ALA 34 1 n THR 35 1 n ASP 36 1 n TRP 37 1 n ASP 38 1 n VAL 39 1 n PHE 40 1 n ILE 41 1 n THR 42 1 n THR 43 1 n LEU 44 1 n GLY 45 1 n ILE 46 1 n VAL 47 1 n TYR 48 1 n SER 49 1 n SER 50 1 n ILE 51 1 n LEU 52 1 n VAL 53 1 n ILE 54 1 n HIS 55 1 n GLY 56 1 n TRP 57 1 n ARG 58 1 n LEU 59 1 n ASP 60 1 n PRO 61 1 n ILE 62 1 n LEU 63 1 n LEU 64 1 n PHE 65 1 n SER 66 1 n GLN 67 1 n VAL 68 1 n LEU 69 1 n VAL 70 1 n ILE 71 1 n PHE 72 1 n ILE 73 1 n THR 74 1 n PHE 75 1 n SER 76 1 n PHE 77 1 n CYS 78 1 n TRP 79 1 n ILE 80 1 n LEU 81 1 n ILE 82 1 n ARG 83 1 n GLN 84 1 n ARG 85 1 n GLU 86 1 n LEU 87 1 n ILE 88 1 n ARG 89 1 n ARG 90 1 n LEU 91 1 n ILE 92 1 n GLU 93 1 n THR 94 1 n LEU 95 # _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 @ 2026-04-30 01:50:38)" _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 84.79 _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 58.72 1 1 A ILE 2 2 60.18 1 2 A ASN 3 2 51.70 1 3 A ILE 4 2 60.95 1 4 A ILE 5 2 62.70 1 5 A VAL 6 2 72.65 1 6 A GLU 7 2 73.44 1 7 A PRO 8 2 86.76 1 8 A ALA 9 2 90.28 1 9 A LEU 10 2 87.38 1 10 A LEU 11 2 87.15 1 11 A LEU 12 2 88.76 1 12 A GLY 13 2 93.46 1 13 A VAL 14 2 93.81 1 14 A THR 15 2 91.29 1 15 A PHE 16 2 90.77 1 16 A ALA 17 2 95.34 1 17 A VAL 18 2 95.29 1 18 A LEU 19 2 88.70 1 19 A MET 20 2 91.36 1 20 A ILE 21 2 94.19 1 21 A LEU 22 2 90.94 1 22 A LEU 23 2 85.62 1 23 A TYR 24 2 87.14 1 24 A GLY 25 2 93.21 1 25 A LEU 26 2 82.49 1 26 A ARG 27 2 77.57 1 27 A PHE 28 2 87.36 1 28 A ILE 29 2 86.62 1 29 A ASN 30 2 83.36 1 30 A PRO 31 2 88.52 1 31 A ASP 32 2 80.30 1 32 A LEU 33 2 80.24 1 33 A ALA 34 2 86.13 1 34 A THR 35 2 85.28 1 35 A ASP 36 2 86.01 1 36 A TRP 37 2 80.75 1 37 A ASP 38 2 86.49 1 38 A VAL 39 2 90.41 1 39 A PHE 40 2 91.39 1 40 A ILE 41 2 88.91 1 41 A THR 42 2 90.40 1 42 A THR 43 2 93.09 1 43 A LEU 44 2 92.00 1 44 A GLY 45 2 94.87 1 45 A ILE 46 2 93.56 1 46 A VAL 47 2 94.69 1 47 A TYR 48 2 90.58 1 48 A SER 49 2 91.44 1 49 A SER 50 2 92.95 1 50 A ILE 51 2 92.33 1 51 A LEU 52 2 89.14 1 52 A VAL 53 2 90.82 1 53 A ILE 54 2 89.43 1 54 A HIS 55 2 83.20 1 55 A GLY 56 2 83.80 1 56 A TRP 57 2 75.66 1 57 A ARG 58 2 74.56 1 58 A LEU 59 2 79.21 1 59 A ASP 60 2 79.42 1 60 A PRO 61 2 84.57 1 61 A ILE 62 2 84.76 1 62 A LEU 63 2 82.06 1 63 A LEU 64 2 83.82 1 64 A PHE 65 2 87.36 1 65 A SER 66 2 88.00 1 66 A GLN 67 2 83.81 1 67 A VAL 68 2 90.52 1 68 A LEU 69 2 90.63 1 69 A VAL 70 2 90.38 1 70 A ILE 71 2 89.53 1 71 A PHE 72 2 84.25 1 72 A ILE 73 2 91.50 1 73 A THR 74 2 87.73 1 74 A PHE 75 2 78.60 1 75 A SER 76 2 89.14 1 76 A PHE 77 2 83.17 1 77 A CYS 78 2 86.70 1 78 A TRP 79 2 81.46 1 79 A ILE 80 2 91.46 1 80 A LEU 81 2 83.93 1 81 A ILE 82 2 85.64 1 82 A ARG 83 2 80.98 1 83 A GLN 84 2 87.70 1 84 A ARG 85 2 82.80 1 85 A GLU 86 2 82.19 1 86 A LEU 87 2 88.68 1 87 A ILE 88 2 90.16 1 88 A ARG 89 2 77.19 1 89 A ARG 90 2 79.95 1 90 A LEU 91 2 90.28 1 91 A ILE 92 2 89.08 1 92 A GLU 93 2 83.89 1 93 A THR 94 2 88.41 1 94 A LEU 95 2 84.93 1 95 # _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 ILE . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n GLU . 7 A 7 A 8 1 n PRO . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n MET . 20 A 20 A 21 1 n ILE . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n TYR . 24 A 24 A 25 1 n GLY . 25 A 25 A 26 1 n LEU . 26 A 26 A 27 1 n ARG . 27 A 27 A 28 1 n PHE . 28 A 28 A 29 1 n ILE . 29 A 29 A 30 1 n ASN . 30 A 30 A 31 1 n PRO . 31 A 31 A 32 1 n ASP . 32 A 32 A 33 1 n LEU . 33 A 33 A 34 1 n ALA . 34 A 34 A 35 1 n THR . 35 A 35 A 36 1 n ASP . 36 A 36 A 37 1 n TRP . 37 A 37 A 38 1 n ASP . 38 A 38 A 39 1 n VAL . 39 A 39 A 40 1 n PHE . 40 A 40 A 41 1 n ILE . 41 A 41 A 42 1 n THR . 42 A 42 A 43 1 n THR . 43 A 43 A 44 1 n LEU . 44 A 44 A 45 1 n GLY . 45 A 45 A 46 1 n ILE . 46 A 46 A 47 1 n VAL . 47 A 47 A 48 1 n TYR . 48 A 48 A 49 1 n SER . 49 A 49 A 50 1 n SER . 50 A 50 A 51 1 n ILE . 51 A 51 A 52 1 n LEU . 52 A 52 A 53 1 n VAL . 53 A 53 A 54 1 n ILE . 54 A 54 A 55 1 n HIS . 55 A 55 A 56 1 n GLY . 56 A 56 A 57 1 n TRP . 57 A 57 A 58 1 n ARG . 58 A 58 A 59 1 n LEU . 59 A 59 A 60 1 n ASP . 60 A 60 A 61 1 n PRO . 61 A 61 A 62 1 n ILE . 62 A 62 A 63 1 n LEU . 63 A 63 A 64 1 n LEU . 64 A 64 A 65 1 n PHE . 65 A 65 A 66 1 n SER . 66 A 66 A 67 1 n GLN . 67 A 67 A 68 1 n VAL . 68 A 68 A 69 1 n LEU . 69 A 69 A 70 1 n VAL . 70 A 70 A 71 1 n ILE . 71 A 71 A 72 1 n PHE . 72 A 72 A 73 1 n ILE . 73 A 73 A 74 1 n THR . 74 A 74 A 75 1 n PHE . 75 A 75 A 76 1 n SER . 76 A 76 A 77 1 n PHE . 77 A 77 A 78 1 n CYS . 78 A 78 A 79 1 n TRP . 79 A 79 A 80 1 n ILE . 80 A 80 A 81 1 n LEU . 81 A 81 A 82 1 n ILE . 82 A 82 A 83 1 n ARG . 83 A 83 A 84 1 n GLN . 84 A 84 A 85 1 n ARG . 85 A 85 A 86 1 n GLU . 86 A 86 A 87 1 n LEU . 87 A 87 A 88 1 n ILE . 88 A 88 A 89 1 n ARG . 89 A 89 A 90 1 n ARG . 90 A 90 A 91 1 n LEU . 91 A 91 A 92 1 n ILE . 92 A 92 A 93 1 n GLU . 93 A 93 A 94 1 n THR . 94 A 94 A 95 1 n LEU . 95 A 95 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (85ce39d932754b480616359c4f586b7a6b119b44f9cab0801a9ccb619e2180e2)" # _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 ? 6.579 -30.501 6.158 1.00 59.29 1 A 1 ATOM 2 C CA . MET A 1 1 ? 5.543 -29.995 5.232 1.00 67.51 1 A 1 ATOM 3 C C . MET A 1 1 ? 4.830 -28.859 5.940 1.00 66.87 1 A 1 ATOM 4 O O . MET A 1 1 ? 4.276 -29.092 7.004 1.00 63.70 1 A 1 ATOM 5 C CB . MET A 1 1 ? 4.550 -31.104 4.853 1.00 63.95 1 A 1 ATOM 6 C CG . MET A 1 1 ? 5.191 -32.124 3.893 1.00 54.98 1 A 1 ATOM 7 S SD . MET A 1 1 ? 4.256 -33.670 3.703 1.00 49.27 1 A 1 ATOM 8 C CE . MET A 1 1 ? 2.794 -33.114 2.771 1.00 44.19 1 A 1 ATOM 9 N N . ILE A 1 2 ? 4.920 -27.622 5.419 1.00 63.36 2 A 1 ATOM 10 C CA . ILE A 1 2 ? 4.202 -26.471 5.984 1.00 65.49 2 A 1 ATOM 11 C C . ILE A 1 2 ? 2.773 -26.556 5.442 1.00 65.13 2 A 1 ATOM 12 O O . ILE A 1 2 ? 2.564 -26.399 4.241 1.00 60.63 2 A 1 ATOM 13 C CB . ILE A 1 2 ? 4.913 -25.145 5.625 1.00 63.32 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? 6.350 -25.119 6.201 1.00 56.72 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? 4.102 -23.944 6.157 1.00 55.59 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? 7.202 -23.924 5.726 1.00 51.17 2 A 1 ATOM 17 N N . ASN A 1 3 ? 1.807 -26.879 6.307 1.00 56.39 3 A 1 ATOM 18 C CA . ASN A 1 3 ? 0.399 -26.950 5.927 1.00 56.34 3 A 1 ATOM 19 C C . ASN A 1 3 ? -0.190 -25.535 6.034 1.00 56.75 3 A 1 ATOM 20 O O . ASN A 1 3 ? -0.618 -25.117 7.107 1.00 55.75 3 A 1 ATOM 21 C CB . ASN A 1 3 ? -0.301 -28.013 6.801 1.00 53.59 3 A 1 ATOM 22 C CG . ASN A 1 3 ? -1.566 -28.558 6.157 1.00 47.88 3 A 1 ATOM 23 O OD1 . ASN A 1 3 ? -1.851 -28.345 4.992 1.00 44.32 3 A 1 ATOM 24 N ND2 . ASN A 1 3 ? -2.339 -29.337 6.880 1.00 42.59 3 A 1 ATOM 25 N N . ILE A 1 4 ? -0.103 -24.759 4.950 1.00 64.83 4 A 1 ATOM 26 C CA . ILE A 1 4 ? -0.648 -23.398 4.902 1.00 65.37 4 A 1 ATOM 27 C C . ILE A 1 4 ? -2.155 -23.520 4.670 1.00 65.70 4 A 1 ATOM 28 O O . ILE A 1 4 ? -2.601 -23.814 3.562 1.00 62.59 4 A 1 ATOM 29 C CB . ILE A 1 4 ? 0.055 -22.531 3.827 1.00 62.99 4 A 1 ATOM 30 C CG1 . ILE A 1 4 ? 1.575 -22.442 4.104 1.00 57.83 4 A 1 ATOM 31 C CG2 . ILE A 1 4 ? -0.569 -21.122 3.793 1.00 56.09 4 A 1 ATOM 32 C CD1 . ILE A 1 4 ? 2.378 -21.704 3.015 1.00 52.16 4 A 1 ATOM 33 N N . ILE A 1 5 ? -2.933 -23.289 5.730 1.00 68.27 5 A 1 ATOM 34 C CA . ILE A 1 5 ? -4.386 -23.134 5.611 1.00 68.11 5 A 1 ATOM 35 C C . ILE A 1 5 ? -4.634 -21.756 4.995 1.00 69.16 5 A 1 ATOM 36 O O . ILE A 1 5 ? -4.321 -20.727 5.594 1.00 65.64 5 A 1 ATOM 37 C CB . ILE A 1 5 ? -5.087 -23.325 6.976 1.00 64.49 5 A 1 ATOM 38 C CG1 . ILE A 1 5 ? -4.771 -24.729 7.556 1.00 57.75 5 A 1 ATOM 39 C CG2 . ILE A 1 5 ? -6.606 -23.131 6.815 1.00 56.19 5 A 1 ATOM 40 C CD1 . ILE A 1 5 ? -5.276 -24.944 8.989 1.00 51.97 5 A 1 ATOM 41 N N . VAL A 1 6 ? -5.124 -21.737 3.760 1.00 74.95 6 A 1 ATOM 42 C CA . VAL A 1 6 ? -5.403 -20.493 3.034 1.00 76.42 6 A 1 ATOM 43 C C . VAL A 1 6 ? -6.749 -19.948 3.500 1.00 77.71 6 A 1 ATOM 44 O O . VAL A 1 6 ? -7.803 -20.322 2.996 1.00 73.80 6 A 1 ATOM 45 C CB . VAL A 1 6 ? -5.338 -20.699 1.510 1.00 73.50 6 A 1 ATOM 46 C CG1 . VAL A 1 6 ? -5.550 -19.368 0.777 1.00 65.38 6 A 1 ATOM 47 C CG2 . VAL A 1 6 ? -3.966 -21.233 1.071 1.00 66.79 6 A 1 ATOM 48 N N . GLU A 1 7 ? -6.701 -19.050 4.483 1.00 79.73 7 A 1 ATOM 49 C CA . GLU A 1 7 ? -7.880 -18.326 4.954 1.00 81.27 7 A 1 ATOM 50 C C . GLU A 1 7 ? -8.080 -17.014 4.176 1.00 83.48 7 A 1 ATOM 51 O O . GLU A 1 7 ? -7.106 -16.396 3.736 1.00 82.08 7 A 1 ATOM 52 C CB . GLU A 1 7 ? -7.768 -18.065 6.458 1.00 77.88 7 A 1 ATOM 53 C CG . GLU A 1 7 ? -7.844 -19.368 7.266 1.00 69.80 7 A 1 ATOM 54 C CD . GLU A 1 7 ? -7.825 -19.126 8.781 1.00 66.92 7 A 1 ATOM 55 O OE1 . GLU A 1 7 ? -7.909 -20.135 9.516 1.00 60.33 7 A 1 ATOM 56 O OE2 . GLU A 1 7 ? -7.718 -17.946 9.187 1.00 59.48 7 A 1 ATOM 57 N N . PRO A 1 8 ? -9.327 -16.514 4.034 1.00 87.48 8 A 1 ATOM 58 C CA . PRO A 1 8 ? -9.597 -15.241 3.357 1.00 87.95 8 A 1 ATOM 59 C C . PRO A 1 8 ? -8.807 -14.055 3.933 1.00 89.96 8 A 1 ATOM 60 O O . PRO A 1 8 ? -8.336 -13.203 3.181 1.00 88.84 8 A 1 ATOM 61 C CB . PRO A 1 8 ? -11.109 -15.026 3.502 1.00 86.50 8 A 1 ATOM 62 C CG . PRO A 1 8 ? -11.668 -16.443 3.634 1.00 82.25 8 A 1 ATOM 63 C CD . PRO A 1 8 ? -10.570 -17.170 4.407 1.00 84.35 8 A 1 ATOM 64 N N . ALA A 1 9 ? -8.604 -14.019 5.249 1.00 89.07 9 A 1 ATOM 65 C CA . ALA A 1 9 ? -7.822 -12.980 5.919 1.00 90.12 9 A 1 ATOM 66 C C . ALA A 1 9 ? -6.327 -13.025 5.549 1.00 91.88 9 A 1 ATOM 67 O O . ALA A 1 9 ? -5.707 -11.976 5.363 1.00 91.30 9 A 1 ATOM 68 C CB . ALA A 1 9 ? -8.024 -13.141 7.426 1.00 89.03 9 A 1 ATOM 69 N N . LEU A 1 10 ? -5.749 -14.225 5.386 1.00 91.65 10 A 1 ATOM 70 C CA . LEU A 1 10 ? -4.374 -14.401 4.922 1.00 91.96 10 A 1 ATOM 71 C C . LEU A 1 10 ? -4.208 -13.841 3.505 1.00 93.11 10 A 1 ATOM 72 O O . LEU A 1 10 ? -3.296 -13.059 3.253 1.00 92.83 10 A 1 ATOM 73 C CB . LEU A 1 10 ? -4.012 -15.900 4.963 1.00 90.97 10 A 1 ATOM 74 C CG . LEU A 1 10 ? -2.540 -16.187 4.587 1.00 84.52 10 A 1 ATOM 75 C CD1 . LEU A 1 10 ? -1.655 -16.225 5.827 1.00 76.89 10 A 1 ATOM 76 C CD2 . LEU A 1 10 ? -2.419 -17.531 3.866 1.00 77.12 10 A 1 ATOM 77 N N . LEU A 1 11 ? -5.115 -14.196 2.588 1.00 92.24 11 A 1 ATOM 78 C CA . LEU A 1 11 ? -5.101 -13.682 1.214 1.00 92.58 11 A 1 ATOM 79 C C . LEU A 1 11 ? -5.214 -12.157 1.184 1.00 93.59 11 A 1 ATOM 80 O O . LEU A 1 11 ? -4.470 -11.498 0.456 1.00 93.46 11 A 1 ATOM 81 C CB . LEU A 1 11 ? -6.250 -14.308 0.404 1.00 91.62 11 A 1 ATOM 82 C CG . LEU A 1 11 ? -6.068 -15.795 0.060 1.00 82.66 11 A 1 ATOM 83 C CD1 . LEU A 1 11 ? -7.321 -16.292 -0.667 1.00 75.86 11 A 1 ATOM 84 C CD2 . LEU A 1 11 ? -4.863 -16.030 -0.856 1.00 75.21 11 A 1 ATOM 85 N N . LEU A 1 12 ? -6.098 -11.584 1.995 1.00 91.55 12 A 1 ATOM 86 C CA . LEU A 1 12 ? -6.282 -10.141 2.103 1.00 92.35 12 A 1 ATOM 87 C C . LEU A 1 12 ? -5.011 -9.448 2.618 1.00 93.65 12 A 1 ATOM 88 O O . LEU A 1 12 ? -4.563 -8.469 2.025 1.00 93.54 12 A 1 ATOM 89 C CB . LEU A 1 12 ? -7.491 -9.876 3.015 1.00 91.67 12 A 1 ATOM 90 C CG . LEU A 1 12 ? -7.922 -8.405 3.048 1.00 85.91 12 A 1 ATOM 91 C CD1 . LEU A 1 12 ? -8.500 -7.965 1.700 1.00 80.98 12 A 1 ATOM 92 C CD2 . LEU A 1 12 ? -8.976 -8.213 4.137 1.00 80.42 12 A 1 ATOM 93 N N . GLY A 1 13 ? -4.400 -9.974 3.679 1.00 92.94 13 A 1 ATOM 94 C CA . GLY A 1 13 ? -3.160 -9.430 4.241 1.00 92.74 13 A 1 ATOM 95 C C . GLY A 1 13 ? -1.987 -9.497 3.258 1.00 94.19 13 A 1 ATOM 96 O O . GLY A 1 13 ? -1.288 -8.501 3.064 1.00 93.97 13 A 1 ATOM 97 N N . VAL A 1 14 ? -1.787 -10.639 2.589 1.00 94.95 14 A 1 ATOM 98 C CA . VAL A 1 14 ? -0.700 -10.823 1.609 1.00 94.99 14 A 1 ATOM 99 C C . VAL A 1 14 ? -0.894 -9.923 0.390 1.00 95.73 14 A 1 ATOM 100 O O . VAL A 1 14 ? 0.047 -9.247 -0.026 1.00 95.67 14 A 1 ATOM 101 C CB . VAL A 1 14 ? -0.577 -12.303 1.190 1.00 94.41 14 A 1 ATOM 102 C CG1 . VAL A 1 14 ? 0.418 -12.507 0.037 1.00 90.61 14 A 1 ATOM 103 C CG2 . VAL A 1 14 ? -0.082 -13.157 2.365 1.00 90.31 14 A 1 ATOM 104 N N . THR A 1 15 ? -2.107 -9.870 -0.175 1.00 94.56 15 A 1 ATOM 105 C CA . THR A 1 15 ? -2.392 -8.991 -1.325 1.00 94.17 15 A 1 ATOM 106 C C . THR A 1 15 ? -2.178 -7.523 -0.970 1.00 94.50 15 A 1 ATOM 107 O O . THR A 1 15 ? -1.543 -6.796 -1.738 1.00 93.89 15 A 1 ATOM 108 C CB . THR A 1 15 ? -3.809 -9.184 -1.885 1.00 93.53 15 A 1 ATOM 109 O OG1 . THR A 1 15 ? -4.779 -9.114 -0.877 1.00 85.46 15 A 1 ATOM 110 C CG2 . THR A 1 15 ? -3.972 -10.531 -2.592 1.00 82.94 15 A 1 ATOM 111 N N . PHE A 1 16 ? -2.603 -7.091 0.214 1.00 93.96 16 A 1 ATOM 112 C CA . PHE A 1 16 ? -2.374 -5.729 0.689 1.00 94.05 16 A 1 ATOM 113 C C . PHE A 1 16 ? -0.883 -5.424 0.900 1.00 94.53 16 A 1 ATOM 114 O O . PHE A 1 16 ? -0.416 -4.363 0.490 1.00 93.94 16 A 1 ATOM 115 C CB . PHE A 1 16 ? -3.180 -5.503 1.966 1.00 93.28 16 A 1 ATOM 116 C CG . PHE A 1 16 ? -3.200 -4.054 2.406 1.00 92.79 16 A 1 ATOM 117 C CD1 . PHE A 1 16 ? -2.498 -3.648 3.550 1.00 87.80 16 A 1 ATOM 118 C CD2 . PHE A 1 16 ? -3.931 -3.110 1.667 1.00 88.16 16 A 1 ATOM 119 C CE1 . PHE A 1 16 ? -2.537 -2.300 3.961 1.00 85.65 16 A 1 ATOM 120 C CE2 . PHE A 1 16 ? -3.967 -1.764 2.075 1.00 86.38 16 A 1 ATOM 121 C CZ . PHE A 1 16 ? -3.271 -1.359 3.225 1.00 87.96 16 A 1 ATOM 122 N N . ALA A 1 17 ? -0.108 -6.362 1.457 1.00 95.45 17 A 1 ATOM 123 C CA . ALA A 1 17 ? 1.343 -6.226 1.596 1.00 95.37 17 A 1 ATOM 124 C C . ALA A 1 17 ? 2.031 -6.026 0.239 1.00 95.42 17 A 1 ATOM 125 O O . ALA A 1 17 ? 2.839 -5.110 0.083 1.00 94.96 17 A 1 ATOM 126 C CB . ALA A 1 17 ? 1.909 -7.467 2.303 1.00 95.50 17 A 1 ATOM 127 N N . VAL A 1 18 ? 1.687 -6.852 -0.756 1.00 96.43 18 A 1 ATOM 128 C CA . VAL A 1 18 ? 2.236 -6.739 -2.117 1.00 96.21 18 A 1 ATOM 129 C C . VAL A 1 18 ? 1.922 -5.370 -2.718 1.00 95.60 18 A 1 ATOM 130 O O . VAL A 1 18 ? 2.816 -4.713 -3.246 1.00 94.98 18 A 1 ATOM 131 C CB . VAL A 1 18 ? 1.715 -7.876 -3.020 1.00 96.55 18 A 1 ATOM 132 C CG1 . VAL A 1 18 ? 2.096 -7.679 -4.498 1.00 93.95 18 A 1 ATOM 133 C CG2 . VAL A 1 18 ? 2.305 -9.224 -2.582 1.00 93.31 18 A 1 ATOM 134 N N . LEU A 1 19 ? 0.686 -4.899 -2.591 1.00 94.98 19 A 1 ATOM 135 C CA . LEU A 1 19 ? 0.283 -3.588 -3.102 1.00 93.53 19 A 1 ATOM 136 C C . LEU A 1 19 ? 1.015 -2.433 -2.399 1.00 93.23 19 A 1 ATOM 137 O O . LEU A 1 19 ? 1.419 -1.478 -3.064 1.00 92.58 19 A 1 ATOM 138 C CB . LEU A 1 19 ? -1.235 -3.455 -2.973 1.00 93.23 19 A 1 ATOM 139 C CG . LEU A 1 19 ? -2.045 -4.343 -3.939 1.00 84.66 19 A 1 ATOM 140 C CD1 . LEU A 1 19 ? -3.520 -4.359 -3.526 1.00 78.95 19 A 1 ATOM 141 C CD2 . LEU A 1 19 ? -1.967 -3.833 -5.382 1.00 78.44 19 A 1 ATOM 142 N N . MET A 1 20 ? 1.259 -2.527 -1.091 1.00 94.63 20 A 1 ATOM 143 C CA . MET A 1 20 ? 2.058 -1.540 -0.356 1.00 94.13 20 A 1 ATOM 144 C C . MET A 1 20 ? 3.528 -1.541 -0.790 1.00 93.70 20 A 1 ATOM 145 O O . MET A 1 20 ? 4.117 -0.475 -0.959 1.00 92.33 20 A 1 ATOM 146 C CB . MET A 1 20 ? 1.930 -1.784 1.154 1.00 93.91 20 A 1 ATOM 147 C CG . MET A 1 20 ? 0.559 -1.320 1.676 1.00 91.57 20 A 1 ATOM 148 S SD . MET A 1 20 ? 0.306 0.467 1.517 1.00 89.60 20 A 1 ATOM 149 C CE . MET A 1 20 ? -1.464 0.585 1.861 1.00 81.00 20 A 1 ATOM 150 N N . ILE A 1 21 ? 4.110 -2.709 -1.055 1.00 95.97 21 A 1 ATOM 151 C CA . ILE A 1 21 ? 5.468 -2.818 -1.604 1.00 95.66 21 A 1 ATOM 152 C C . ILE A 1 21 ? 5.536 -2.196 -3.009 1.00 94.76 21 A 1 ATOM 153 O O . ILE A 1 21 ? 6.483 -1.473 -3.315 1.00 93.52 21 A 1 ATOM 154 C CB . ILE A 1 21 ? 5.934 -4.290 -1.598 1.00 96.10 21 A 1 ATOM 155 C CG1 . ILE A 1 21 ? 6.134 -4.778 -0.144 1.00 94.76 21 A 1 ATOM 156 C CG2 . ILE A 1 21 ? 7.243 -4.472 -2.396 1.00 93.62 21 A 1 ATOM 157 C CD1 . ILE A 1 21 ? 6.249 -6.303 -0.017 1.00 89.09 21 A 1 ATOM 158 N N . LEU A 1 22 ? 4.529 -2.425 -3.857 1.00 94.85 22 A 1 ATOM 159 C CA . LEU A 1 22 ? 4.443 -1.793 -5.179 1.00 93.51 22 A 1 ATOM 160 C C . LEU A 1 22 ? 4.329 -0.266 -5.072 1.00 92.54 22 A 1 ATOM 161 O O . LEU A 1 22 ? 5.023 0.450 -5.796 1.00 91.30 22 A 1 ATOM 162 C CB . LEU A 1 22 ? 3.250 -2.365 -5.961 1.00 94.08 22 A 1 ATOM 163 C CG . LEU A 1 22 ? 3.421 -3.821 -6.434 1.00 90.75 22 A 1 ATOM 164 C CD1 . LEU A 1 22 ? 2.105 -4.305 -7.054 1.00 84.84 22 A 1 ATOM 165 C CD2 . LEU A 1 22 ? 4.527 -3.969 -7.478 1.00 85.65 22 A 1 ATOM 166 N N . LEU A 1 23 ? 3.524 0.239 -4.137 1.00 92.19 23 A 1 ATOM 167 C CA . LEU A 1 23 ? 3.407 1.672 -3.858 1.00 90.47 23 A 1 ATOM 168 C C . LEU A 1 23 ? 4.747 2.265 -3.397 1.00 90.02 23 A 1 ATOM 169 O O . LEU A 1 23 ? 5.133 3.332 -3.864 1.00 89.35 23 A 1 ATOM 170 C CB . LEU A 1 23 ? 2.296 1.893 -2.812 1.00 89.97 23 A 1 ATOM 171 C CG . LEU A 1 23 ? 1.971 3.376 -2.556 1.00 81.73 23 A 1 ATOM 172 C CD1 . LEU A 1 23 ? 1.344 4.042 -3.783 1.00 75.44 23 A 1 ATOM 173 C CD2 . LEU A 1 23 ? 0.982 3.508 -1.398 1.00 75.81 23 A 1 ATOM 174 N N . TYR A 1 24 ? 5.495 1.559 -2.542 1.00 92.72 24 A 1 ATOM 175 C CA . TYR A 1 24 ? 6.855 1.943 -2.161 1.00 92.30 24 A 1 ATOM 176 C C . TYR A 1 24 ? 7.802 1.966 -3.368 1.00 92.43 24 A 1 ATOM 177 O O . TYR A 1 24 ? 8.620 2.879 -3.510 1.00 91.74 24 A 1 ATOM 178 C CB . TYR A 1 24 ? 7.370 0.981 -1.084 1.00 92.03 24 A 1 ATOM 179 C CG . TYR A 1 24 ? 8.752 1.346 -0.577 1.00 89.60 24 A 1 ATOM 180 C CD1 . TYR A 1 24 ? 9.894 0.671 -1.058 1.00 84.59 24 A 1 ATOM 181 C CD2 . TYR A 1 24 ? 8.895 2.388 0.359 1.00 84.97 24 A 1 ATOM 182 C CE1 . TYR A 1 24 ? 11.172 1.034 -0.598 1.00 80.96 24 A 1 ATOM 183 C CE2 . TYR A 1 24 ? 10.172 2.755 0.819 1.00 81.82 24 A 1 ATOM 184 C CZ . TYR A 1 24 ? 11.312 2.077 0.342 1.00 81.63 24 A 1 ATOM 185 O OH . TYR A 1 24 ? 12.549 2.435 0.789 1.00 80.95 24 A 1 ATOM 186 N N . GLY A 1 25 ? 7.657 0.999 -4.280 1.00 94.18 25 A 1 ATOM 187 C CA . GLY A 1 25 ? 8.415 0.916 -5.528 1.00 93.79 25 A 1 ATOM 188 C C . GLY A 1 25 ? 8.249 2.140 -6.440 1.00 93.45 25 A 1 ATOM 189 O O . GLY A 1 25 ? 9.161 2.450 -7.208 1.00 91.43 25 A 1 ATOM 190 N N . LEU A 1 26 ? 7.146 2.887 -6.311 1.00 91.00 26 A 1 ATOM 191 C CA . LEU A 1 26 ? 6.911 4.125 -7.063 1.00 88.44 26 A 1 ATOM 192 C C . LEU A 1 26 ? 8.025 5.160 -6.851 1.00 87.83 26 A 1 ATOM 193 O O . LEU A 1 26 ? 8.353 5.899 -7.778 1.00 85.49 26 A 1 ATOM 194 C CB . LEU A 1 26 ? 5.544 4.705 -6.666 1.00 86.65 26 A 1 ATOM 195 C CG . LEU A 1 26 ? 4.903 5.550 -7.787 1.00 77.64 26 A 1 ATOM 196 C CD1 . LEU A 1 26 ? 3.597 4.898 -8.253 1.00 72.09 26 A 1 ATOM 197 C CD2 . LEU A 1 26 ? 4.583 6.968 -7.314 1.00 70.78 26 A 1 ATOM 198 N N . ARG A 1 27 ? 8.676 5.152 -5.682 1.00 89.63 27 A 1 ATOM 199 C CA . ARG A 1 27 ? 9.841 5.993 -5.369 1.00 88.47 27 A 1 ATOM 200 C C . ARG A 1 27 ? 11.023 5.753 -6.311 1.00 89.52 27 A 1 ATOM 201 O O . ARG A 1 27 ? 11.758 6.687 -6.609 1.00 87.04 27 A 1 ATOM 202 C CB . ARG A 1 27 ? 10.247 5.743 -3.909 1.00 86.22 27 A 1 ATOM 203 C CG . ARG A 1 27 ? 11.366 6.683 -3.450 1.00 78.48 27 A 1 ATOM 204 C CD . ARG A 1 27 ? 11.688 6.479 -1.970 1.00 76.37 27 A 1 ATOM 205 N NE . ARG A 1 27 ? 12.741 7.411 -1.530 1.00 71.52 27 A 1 ATOM 206 C CZ . ARG A 1 27 ? 13.184 7.569 -0.295 1.00 65.15 27 A 1 ATOM 207 N NH1 . ARG A 1 27 ? 12.754 6.835 0.689 1.00 62.23 27 A 1 ATOM 208 N NH2 . ARG A 1 27 ? 14.072 8.482 -0.023 1.00 58.65 27 A 1 ATOM 209 N N . PHE A 1 28 ? 11.211 4.513 -6.766 1.00 91.99 28 A 1 ATOM 210 C CA . PHE A 1 28 ? 12.310 4.160 -7.667 1.00 91.86 28 A 1 ATOM 211 C C . PHE A 1 28 ? 11.975 4.443 -9.134 1.00 91.86 28 A 1 ATOM 212 O O . PHE A 1 28 ? 12.869 4.721 -9.923 1.00 89.47 28 A 1 ATOM 213 C CB . PHE A 1 28 ? 12.678 2.686 -7.470 1.00 92.30 28 A 1 ATOM 214 C CG . PHE A 1 28 ? 13.136 2.354 -6.060 1.00 90.24 28 A 1 ATOM 215 C CD1 . PHE A 1 28 ? 14.425 2.725 -5.631 1.00 83.66 28 A 1 ATOM 216 C CD2 . PHE A 1 28 ? 12.275 1.679 -5.176 1.00 83.82 28 A 1 ATOM 217 C CE1 . PHE A 1 28 ? 14.852 2.421 -4.326 1.00 81.43 28 A 1 ATOM 218 C CE2 . PHE A 1 28 ? 12.698 1.378 -3.866 1.00 82.51 28 A 1 ATOM 219 C CZ . PHE A 1 28 ? 13.990 1.745 -3.442 1.00 81.84 28 A 1 ATOM 220 N N . ILE A 1 29 ? 10.682 4.387 -9.496 1.00 92.33 29 A 1 ATOM 221 C CA . ILE A 1 29 ? 10.214 4.588 -10.874 1.00 90.45 29 A 1 ATOM 222 C C . ILE A 1 29 ? 10.040 6.085 -11.176 1.00 89.23 29 A 1 ATOM 223 O O . ILE A 1 29 ? 10.452 6.556 -12.233 1.00 87.37 29 A 1 ATOM 224 C CB . ILE A 1 29 ? 8.911 3.786 -11.113 1.00 90.96 29 A 1 ATOM 225 C CG1 . ILE A 1 29 ? 9.142 2.272 -10.870 1.00 85.37 29 A 1 ATOM 226 C CG2 . ILE A 1 29 ? 8.388 4.016 -12.543 1.00 82.21 29 A 1 ATOM 227 C CD1 . ILE A 1 29 ? 7.847 1.436 -10.845 1.00 75.06 29 A 1 ATOM 228 N N . ASN A 1 30 ? 9.438 6.829 -10.244 1.00 89.77 30 A 1 ATOM 229 C CA . ASN A 1 30 ? 9.147 8.259 -10.370 1.00 88.53 30 A 1 ATOM 230 C C . ASN A 1 30 ? 9.527 9.000 -9.073 1.00 88.77 30 A 1 ATOM 231 O O . ASN A 1 30 ? 8.641 9.326 -8.272 1.00 86.48 30 A 1 ATOM 232 C CB . ASN A 1 30 ? 7.660 8.441 -10.727 1.00 86.76 30 A 1 ATOM 233 C CG . ASN A 1 30 ? 7.338 7.997 -12.141 1.00 80.99 30 A 1 ATOM 234 O OD1 . ASN A 1 30 ? 7.878 8.483 -13.116 1.00 72.51 30 A 1 ATOM 235 N ND2 . ASN A 1 30 ? 6.425 7.072 -12.310 1.00 73.10 30 A 1 ATOM 236 N N . PRO A 1 31 ? 10.823 9.271 -8.836 1.00 89.63 31 A 1 ATOM 237 C CA . PRO A 1 31 ? 11.282 9.909 -7.599 1.00 89.42 31 A 1 ATOM 238 C C . PRO A 1 31 ? 10.678 11.300 -7.380 1.00 88.93 31 A 1 ATOM 239 O O . PRO A 1 31 ? 10.400 11.670 -6.245 1.00 85.95 31 A 1 ATOM 240 C CB . PRO A 1 31 ? 12.811 9.955 -7.712 1.00 89.07 31 A 1 ATOM 241 C CG . PRO A 1 31 ? 13.076 9.896 -9.220 1.00 87.32 31 A 1 ATOM 242 C CD . PRO A 1 31 ? 11.938 9.019 -9.731 1.00 89.29 31 A 1 ATOM 243 N N . ASP A 1 32 ? 10.368 12.032 -8.450 1.00 86.49 32 A 1 ATOM 244 C CA . ASP A 1 32 ? 9.771 13.375 -8.379 1.00 85.40 32 A 1 ATOM 245 C C . ASP A 1 32 ? 8.314 13.386 -7.879 1.00 85.79 32 A 1 ATOM 246 O O . ASP A 1 32 ? 7.811 14.425 -7.443 1.00 82.92 32 A 1 ATOM 247 C CB . ASP A 1 32 ? 9.778 14.006 -9.772 1.00 84.03 32 A 1 ATOM 248 C CG . ASP A 1 32 ? 11.136 14.047 -10.464 1.00 76.73 32 A 1 ATOM 249 O OD1 . ASP A 1 32 ? 12.153 14.274 -9.779 1.00 70.88 32 A 1 ATOM 250 O OD2 . ASP A 1 32 ? 11.102 13.845 -11.703 1.00 70.19 32 A 1 ATOM 251 N N . LEU A 1 33 ? 7.608 12.254 -7.990 1.00 84.65 33 A 1 ATOM 252 C CA . LEU A 1 33 ? 6.242 12.097 -7.491 1.00 84.78 33 A 1 ATOM 253 C C . LEU A 1 33 ? 6.204 11.491 -6.087 1.00 86.00 33 A 1 ATOM 254 O O . LEU A 1 33 ? 5.165 11.563 -5.424 1.00 83.08 33 A 1 ATOM 255 C CB . LEU A 1 33 ? 5.421 11.240 -8.475 1.00 82.95 33 A 1 ATOM 256 C CG . LEU A 1 33 ? 5.089 11.944 -9.806 1.00 76.96 33 A 1 ATOM 257 C CD1 . LEU A 1 33 ? 4.433 10.944 -10.763 1.00 71.52 33 A 1 ATOM 258 C CD2 . LEU A 1 33 ? 4.111 13.108 -9.610 1.00 71.97 33 A 1 ATOM 259 N N . ALA A 1 34 ? 7.300 10.875 -5.647 1.00 86.30 34 A 1 ATOM 260 C CA . ALA A 1 34 ? 7.383 10.225 -4.350 1.00 86.34 34 A 1 ATOM 261 C C . ALA A 1 34 ? 7.728 11.236 -3.246 1.00 87.13 34 A 1 ATOM 262 O O . ALA A 1 34 ? 8.581 12.103 -3.407 1.00 85.60 34 A 1 ATOM 263 C CB . ALA A 1 34 ? 8.395 9.089 -4.430 1.00 85.27 34 A 1 ATOM 264 N N . THR A 1 35 ? 7.074 11.090 -2.102 1.00 88.23 35 A 1 ATOM 265 C CA . THR A 1 35 ? 7.298 11.924 -0.917 1.00 88.35 35 A 1 ATOM 266 C C . THR A 1 35 ? 7.633 11.052 0.291 1.00 89.10 35 A 1 ATOM 267 O O . THR A 1 35 ? 7.331 9.859 0.325 1.00 87.37 35 A 1 ATOM 268 C CB . THR A 1 35 ? 6.077 12.811 -0.618 1.00 87.15 35 A 1 ATOM 269 O OG1 . THR A 1 35 ? 4.947 12.035 -0.306 1.00 79.32 35 A 1 ATOM 270 C CG2 . THR A 1 35 ? 5.714 13.737 -1.777 1.00 77.43 35 A 1 ATOM 271 N N . ASP A 1 36 ? 8.207 11.651 1.338 1.00 89.74 36 A 1 ATOM 272 C CA . ASP A 1 36 ? 8.482 10.926 2.587 1.00 89.92 36 A 1 ATOM 273 C C . ASP A 1 36 ? 7.199 10.397 3.255 1.00 90.89 36 A 1 ATOM 274 O O . ASP A 1 36 ? 7.217 9.374 3.941 1.00 89.45 36 A 1 ATOM 275 C CB . ASP A 1 36 ? 9.267 11.832 3.542 1.00 88.93 36 A 1 ATOM 276 C CG . ASP A 1 36 ? 10.665 12.177 3.010 1.00 83.38 36 A 1 ATOM 277 O OD1 . ASP A 1 36 ? 11.284 11.300 2.351 1.00 77.63 36 A 1 ATOM 278 O OD2 . ASP A 1 36 ? 11.102 13.316 3.272 1.00 78.17 36 A 1 ATOM 279 N N . TRP A 1 37 ? 6.065 11.043 2.978 1.00 89.68 37 A 1 ATOM 280 C CA . TRP A 1 37 ? 4.751 10.560 3.410 1.00 89.47 37 A 1 ATOM 281 C C . TRP A 1 37 ? 4.373 9.215 2.785 1.00 90.47 37 A 1 ATOM 282 O O . TRP A 1 37 ? 3.739 8.401 3.456 1.00 88.89 37 A 1 ATOM 283 C CB . TRP A 1 37 ? 3.689 11.619 3.092 1.00 88.59 37 A 1 ATOM 284 C CG . TRP A 1 37 ? 3.752 12.811 3.992 1.00 85.55 37 A 1 ATOM 285 C CD1 . TRP A 1 37 ? 4.234 14.034 3.674 1.00 77.47 37 A 1 ATOM 286 C CD2 . TRP A 1 37 ? 3.348 12.890 5.390 1.00 80.40 37 A 1 ATOM 287 N NE1 . TRP A 1 37 ? 4.152 14.864 4.777 1.00 73.17 37 A 1 ATOM 288 C CE2 . TRP A 1 37 ? 3.615 14.206 5.870 1.00 77.94 37 A 1 ATOM 289 C CE3 . TRP A 1 37 ? 2.786 11.976 6.311 1.00 71.62 37 A 1 ATOM 290 C CZ2 . TRP A 1 37 ? 3.338 14.602 7.183 1.00 75.27 37 A 1 ATOM 291 C CZ3 . TRP A 1 37 ? 2.508 12.361 7.630 1.00 71.47 37 A 1 ATOM 292 C CH2 . TRP A 1 37 ? 2.780 13.673 8.069 1.00 70.50 37 A 1 ATOM 293 N N . ASP A 1 38 ? 4.786 8.926 1.550 1.00 90.58 38 A 1 ATOM 294 C CA . ASP A 1 38 ? 4.534 7.628 0.919 1.00 90.10 38 A 1 ATOM 295 C C . ASP A 1 38 ? 5.285 6.508 1.653 1.00 91.63 38 A 1 ATOM 296 O O . ASP A 1 38 ? 4.745 5.418 1.845 1.00 90.66 38 A 1 ATOM 297 C CB . ASP A 1 38 ? 4.934 7.651 -0.565 1.00 88.05 38 A 1 ATOM 298 C CG . ASP A 1 38 ? 4.214 8.732 -1.381 1.00 83.60 38 A 1 ATOM 299 O OD1 . ASP A 1 38 ? 2.986 8.928 -1.246 1.00 78.81 38 A 1 ATOM 300 O OD2 . ASP A 1 38 ? 4.892 9.423 -2.173 1.00 78.46 38 A 1 ATOM 301 N N . VAL A 1 39 ? 6.503 6.789 2.134 1.00 91.24 39 A 1 ATOM 302 C CA . VAL A 1 39 ? 7.284 5.846 2.954 1.00 92.22 39 A 1 ATOM 303 C C . VAL A 1 39 ? 6.579 5.571 4.278 1.00 93.73 39 A 1 ATOM 304 O O . VAL A 1 39 ? 6.467 4.417 4.701 1.00 93.77 39 A 1 ATOM 305 C CB . VAL A 1 39 ? 8.712 6.369 3.216 1.00 91.24 39 A 1 ATOM 306 C CG1 . VAL A 1 39 ? 9.547 5.362 4.018 1.00 85.83 39 A 1 ATOM 307 C CG2 . VAL A 1 39 ? 9.453 6.656 1.904 1.00 84.85 39 A 1 ATOM 308 N N . PHE A 1 40 ? 6.064 6.619 4.919 1.00 92.33 40 A 1 ATOM 309 C CA . PHE A 1 40 ? 5.317 6.481 6.166 1.00 93.32 40 A 1 ATOM 310 C C . PHE A 1 40 ? 4.040 5.647 5.980 1.00 94.23 40 A 1 ATOM 311 O O . PHE A 1 40 ? 3.826 4.672 6.703 1.00 94.07 40 A 1 ATOM 312 C CB . PHE A 1 40 ? 5.020 7.881 6.711 1.00 93.57 40 A 1 ATOM 313 C CG . PHE A 1 40 ? 4.227 7.856 7.999 1.00 93.11 40 A 1 ATOM 314 C CD1 . PHE A 1 40 ? 2.865 8.213 8.002 1.00 88.74 40 A 1 ATOM 315 C CD2 . PHE A 1 40 ? 4.853 7.465 9.194 1.00 89.78 40 A 1 ATOM 316 C CE1 . PHE A 1 40 ? 2.139 8.191 9.203 1.00 87.94 40 A 1 ATOM 317 C CE2 . PHE A 1 40 ? 4.127 7.439 10.394 1.00 88.57 40 A 1 ATOM 318 C CZ . PHE A 1 40 ? 2.770 7.806 10.399 1.00 89.62 40 A 1 ATOM 319 N N . ILE A 1 41 ? 3.220 5.969 4.972 1.00 91.99 41 A 1 ATOM 320 C CA . ILE A 1 41 ? 1.965 5.260 4.678 1.00 92.08 41 A 1 ATOM 321 C C . ILE A 1 41 ? 2.231 3.792 4.333 1.00 93.37 41 A 1 ATOM 322 O O . ILE A 1 41 ? 1.556 2.904 4.854 1.00 93.44 41 A 1 ATOM 323 C CB . ILE A 1 41 ? 1.191 5.986 3.550 1.00 90.89 41 A 1 ATOM 324 C CG1 . ILE A 1 41 ? 0.662 7.348 4.061 1.00 86.82 41 A 1 ATOM 325 C CG2 . ILE A 1 41 ? 0.015 5.134 3.030 1.00 85.55 41 A 1 ATOM 326 C CD1 . ILE A 1 41 ? 0.134 8.268 2.953 1.00 77.16 41 A 1 ATOM 327 N N . THR A 1 42 ? 3.226 3.514 3.480 1.00 93.65 42 A 1 ATOM 328 C CA . THR A 1 42 ? 3.569 2.134 3.102 1.00 94.32 42 A 1 ATOM 329 C C . THR A 1 42 ? 4.094 1.329 4.286 1.00 95.05 42 A 1 ATOM 330 O O . THR A 1 42 ? 3.713 0.170 4.442 1.00 94.59 42 A 1 ATOM 331 C CB . THR A 1 42 ? 4.586 2.078 1.958 1.00 93.86 42 A 1 ATOM 332 O OG1 . THR A 1 42 ? 5.718 2.862 2.229 1.00 80.44 42 A 1 ATOM 333 C CG2 . THR A 1 42 ? 3.977 2.569 0.647 1.00 80.90 42 A 1 ATOM 334 N N . THR A 1 43 ? 4.887 1.941 5.169 1.00 95.35 43 A 1 ATOM 335 C CA . THR A 1 43 ? 5.354 1.291 6.403 1.00 95.50 43 A 1 ATOM 336 C C . THR A 1 43 ? 4.177 0.902 7.297 1.00 95.87 43 A 1 ATOM 337 O O . THR A 1 43 ? 4.083 -0.251 7.721 1.00 95.68 43 A 1 ATOM 338 C CB . THR A 1 43 ? 6.330 2.193 7.176 1.00 95.53 43 A 1 ATOM 339 O OG1 . THR A 1 43 ? 7.426 2.533 6.355 1.00 88.20 43 A 1 ATOM 340 C CG2 . THR A 1 43 ? 6.903 1.495 8.408 1.00 85.52 43 A 1 ATOM 341 N N . LEU A 1 44 ? 3.236 1.825 7.531 1.00 94.94 44 A 1 ATOM 342 C CA . LEU A 1 44 ? 2.013 1.523 8.285 1.00 95.12 44 A 1 ATOM 343 C C . LEU A 1 44 ? 1.178 0.428 7.613 1.00 95.31 44 A 1 ATOM 344 O O . LEU A 1 44 ? 0.675 -0.469 8.292 1.00 94.87 44 A 1 ATOM 345 C CB . LEU A 1 44 ? 1.167 2.795 8.442 1.00 95.12 44 A 1 ATOM 346 C CG . LEU A 1 44 ? 1.734 3.859 9.403 1.00 90.81 44 A 1 ATOM 347 C CD1 . LEU A 1 44 ? 0.743 5.026 9.447 1.00 84.97 44 A 1 ATOM 348 C CD2 . LEU A 1 44 ? 1.917 3.336 10.827 1.00 84.83 44 A 1 ATOM 349 N N . GLY A 1 45 ? 1.059 0.463 6.287 1.00 94.99 45 A 1 ATOM 350 C CA . GLY A 1 45 ? 0.346 -0.553 5.514 1.00 94.52 45 A 1 ATOM 351 C C . GLY A 1 45 ? 0.974 -1.944 5.626 1.00 95.23 45 A 1 ATOM 352 O O . GLY A 1 45 ? 0.254 -2.930 5.789 1.00 94.72 45 A 1 ATOM 353 N N . ILE A 1 46 ? 2.307 -2.044 5.616 1.00 95.76 46 A 1 ATOM 354 C CA . ILE A 1 46 ? 3.025 -3.313 5.814 1.00 95.92 46 A 1 ATOM 355 C C . ILE A 1 46 ? 2.810 -3.846 7.239 1.00 95.83 46 A 1 ATOM 356 O O . ILE A 1 46 ? 2.531 -5.033 7.412 1.00 95.10 46 A 1 ATOM 357 C CB . ILE A 1 46 ? 4.525 -3.153 5.471 1.00 96.00 46 A 1 ATOM 358 C CG1 . ILE A 1 46 ? 4.694 -2.944 3.944 1.00 93.35 46 A 1 ATOM 359 C CG2 . ILE A 1 46 ? 5.339 -4.384 5.915 1.00 92.39 46 A 1 ATOM 360 C CD1 . ILE A 1 46 ? 6.091 -2.463 3.534 1.00 84.17 46 A 1 ATOM 361 N N . VAL A 1 47 ? 2.881 -2.977 8.257 1.00 95.89 47 A 1 ATOM 362 C CA . VAL A 1 47 ? 2.584 -3.371 9.648 1.00 95.36 47 A 1 ATOM 363 C C . VAL A 1 47 ? 1.150 -3.887 9.765 1.00 95.04 47 A 1 ATOM 364 O O . VAL A 1 47 ? 0.921 -4.977 10.292 1.00 94.74 47 A 1 ATOM 365 C CB . VAL A 1 47 ? 2.838 -2.199 10.622 1.00 95.64 47 A 1 ATOM 366 C CG1 . VAL A 1 47 ? 2.366 -2.520 12.047 1.00 93.50 47 A 1 ATOM 367 C CG2 . VAL A 1 47 ? 4.336 -1.876 10.700 1.00 92.68 47 A 1 ATOM 368 N N . TYR A 1 48 ? 0.182 -3.159 9.206 1.00 94.94 48 A 1 ATOM 369 C CA . TYR A 1 48 ? -1.220 -3.566 9.187 1.00 94.28 48 A 1 ATOM 370 C C . TYR A 1 48 ? -1.432 -4.908 8.467 1.00 94.44 48 A 1 ATOM 371 O O . TYR A 1 48 ? -2.095 -5.801 9.001 1.00 93.81 48 A 1 ATOM 372 C CB . TYR A 1 48 ? -2.036 -2.444 8.540 1.00 93.45 48 A 1 ATOM 373 C CG . TYR A 1 48 ? -3.477 -2.823 8.296 1.00 92.49 48 A 1 ATOM 374 C CD1 . TYR A 1 48 ? -3.891 -3.162 6.995 1.00 88.47 48 A 1 ATOM 375 C CD2 . TYR A 1 48 ? -4.388 -2.866 9.367 1.00 88.43 48 A 1 ATOM 376 C CE1 . TYR A 1 48 ? -5.221 -3.525 6.758 1.00 86.15 48 A 1 ATOM 377 C CE2 . TYR A 1 48 ? -5.724 -3.232 9.131 1.00 86.84 48 A 1 ATOM 378 C CZ . TYR A 1 48 ? -6.140 -3.556 7.820 1.00 87.95 48 A 1 ATOM 379 O OH . TYR A 1 48 ? -7.425 -3.895 7.567 1.00 85.73 48 A 1 ATOM 380 N N . SER A 1 49 ? -0.818 -5.098 7.294 1.00 94.89 49 A 1 ATOM 381 C CA . SER A 1 49 ? -0.889 -6.366 6.559 1.00 94.45 49 A 1 ATOM 382 C C . SER A 1 49 ? -0.315 -7.536 7.360 1.00 94.15 49 A 1 ATOM 383 O O . SER A 1 49 ? -0.891 -8.623 7.358 1.00 92.66 49 A 1 ATOM 384 C CB . SER A 1 49 ? -0.183 -6.244 5.207 1.00 93.89 49 A 1 ATOM 385 O OG . SER A 1 49 ? 1.224 -6.190 5.328 1.00 78.60 49 A 1 ATOM 386 N N . SER A 1 50 ? 0.768 -7.304 8.112 1.00 95.64 50 A 1 ATOM 387 C CA . SER A 1 50 ? 1.384 -8.312 8.979 1.00 95.17 50 A 1 ATOM 388 C C . SER A 1 50 ? 0.436 -8.733 10.104 1.00 94.60 50 A 1 ATOM 389 O O . SER A 1 50 ? 0.318 -9.922 10.399 1.00 92.57 50 A 1 ATOM 390 C CB . SER A 1 50 ? 2.696 -7.787 9.573 1.00 94.87 50 A 1 ATOM 391 O OG . SER A 1 50 ? 3.590 -7.382 8.554 1.00 84.87 50 A 1 ATOM 392 N N . ILE A 1 51 ? -0.295 -7.777 10.693 1.00 94.11 51 A 1 ATOM 393 C CA . ILE A 1 51 ? -1.327 -8.066 11.699 1.00 93.19 51 A 1 ATOM 394 C C . ILE A 1 51 ? -2.442 -8.928 11.094 1.00 92.66 51 A 1 ATOM 395 O O . ILE A 1 51 ? -2.845 -9.915 11.705 1.00 91.34 51 A 1 ATOM 396 C CB . ILE A 1 51 ? -1.877 -6.757 12.315 1.00 93.32 51 A 1 ATOM 397 C CG1 . ILE A 1 51 ? -0.771 -6.019 13.108 1.00 92.87 51 A 1 ATOM 398 C CG2 . ILE A 1 51 ? -3.082 -7.037 13.237 1.00 92.24 51 A 1 ATOM 399 C CD1 . ILE A 1 51 ? -1.123 -4.567 13.459 1.00 88.88 51 A 1 ATOM 400 N N . LEU A 1 52 ? -2.910 -8.615 9.878 1.00 93.15 52 A 1 ATOM 401 C CA . LEU A 1 52 ? -3.919 -9.427 9.186 1.00 92.45 52 A 1 ATOM 402 C C . LEU A 1 52 ? -3.426 -10.848 8.896 1.00 91.56 52 A 1 ATOM 403 O O . LEU A 1 52 ? -4.172 -11.800 9.089 1.00 89.94 52 A 1 ATOM 404 C CB . LEU A 1 52 ? -4.352 -8.760 7.869 1.00 92.08 52 A 1 ATOM 405 C CG . LEU A 1 52 ? -5.261 -7.530 8.013 1.00 88.27 52 A 1 ATOM 406 C CD1 . LEU A 1 52 ? -5.600 -7.024 6.605 1.00 83.14 52 A 1 ATOM 407 C CD2 . LEU A 1 52 ? -6.575 -7.855 8.727 1.00 82.53 52 A 1 ATOM 408 N N . VAL A 1 53 ? -2.176 -11.010 8.472 1.00 93.13 53 A 1 ATOM 409 C CA . VAL A 1 53 ? -1.589 -12.333 8.200 1.00 92.26 53 A 1 ATOM 410 C C . VAL A 1 53 ? -1.467 -13.167 9.478 1.00 90.86 53 A 1 ATOM 411 O O . VAL A 1 53 ? -1.775 -14.354 9.464 1.00 88.61 53 A 1 ATOM 412 C CB . VAL A 1 53 ? -0.231 -12.178 7.490 1.00 92.27 53 A 1 ATOM 413 C CG1 . VAL A 1 53 ? 0.555 -13.489 7.390 1.00 89.48 53 A 1 ATOM 414 C CG2 . VAL A 1 53 ? -0.431 -11.662 6.055 1.00 89.11 53 A 1 ATOM 415 N N . ILE A 1 54 ? -1.035 -12.557 10.595 1.00 93.18 54 A 1 ATOM 416 C CA . ILE A 1 54 ? -0.768 -13.281 11.850 1.00 91.85 54 A 1 ATOM 417 C C . ILE A 1 54 ? -2.057 -13.526 12.649 1.00 90.17 54 A 1 ATOM 418 O O . ILE A 1 54 ? -2.234 -14.595 13.230 1.00 87.77 54 A 1 ATOM 419 C CB . ILE A 1 54 ? 0.295 -12.520 12.678 1.00 91.93 54 A 1 ATOM 420 C CG1 . ILE A 1 54 ? 1.647 -12.462 11.918 1.00 89.64 54 A 1 ATOM 421 C CG2 . ILE A 1 54 ? 0.512 -13.181 14.055 1.00 88.40 54 A 1 ATOM 422 C CD1 . ILE A 1 54 ? 2.654 -11.468 12.523 1.00 82.51 54 A 1 ATOM 423 N N . HIS A 1 55 ? -2.954 -12.540 12.710 1.00 91.11 55 A 1 ATOM 424 C CA . HIS A 1 55 ? -4.134 -12.560 13.580 1.00 89.22 55 A 1 ATOM 425 C C . HIS A 1 55 ? -5.472 -12.602 12.833 1.00 88.95 55 A 1 ATOM 426 O O . HIS A 1 55 ? -6.515 -12.716 13.477 1.00 85.28 55 A 1 ATOM 427 C CB . HIS A 1 55 ? -4.069 -11.370 14.544 1.00 88.67 55 A 1 ATOM 428 C CG . HIS A 1 55 ? -2.912 -11.458 15.512 1.00 85.51 55 A 1 ATOM 429 N ND1 . HIS A 1 55 ? -2.734 -12.435 16.466 1.00 74.84 55 A 1 ATOM 430 C CD2 . HIS A 1 55 ? -1.851 -10.603 15.609 1.00 74.85 55 A 1 ATOM 431 C CE1 . HIS A 1 55 ? -1.591 -12.168 17.123 1.00 75.69 55 A 1 ATOM 432 N NE2 . HIS A 1 55 ? -1.021 -11.059 16.640 1.00 77.84 55 A 1 ATOM 433 N N . GLY A 1 56 ? -5.472 -12.537 11.503 1.00 86.60 56 A 1 ATOM 434 C CA . GLY A 1 56 ? -6.689 -12.478 10.691 1.00 83.94 56 A 1 ATOM 435 C C . GLY A 1 56 ? -7.589 -13.710 10.804 1.00 83.88 56 A 1 ATOM 436 O O . GLY A 1 56 ? -8.798 -13.584 10.635 1.00 80.80 56 A 1 ATOM 437 N N . TRP A 1 57 ? -7.034 -14.865 11.186 1.00 85.91 57 A 1 ATOM 438 C CA . TRP A 1 57 ? -7.811 -16.083 11.474 1.00 84.50 57 A 1 ATOM 439 C C . TRP A 1 57 ? -8.805 -15.937 12.642 1.00 84.20 57 A 1 ATOM 440 O O . TRP A 1 57 ? -9.713 -16.749 12.796 1.00 79.98 57 A 1 ATOM 441 C CB . TRP A 1 57 ? -6.829 -17.217 11.766 1.00 82.39 57 A 1 ATOM 442 C CG . TRP A 1 57 ? -6.024 -17.068 13.029 1.00 77.62 57 A 1 ATOM 443 C CD1 . TRP A 1 57 ? -4.830 -16.444 13.130 1.00 72.41 57 A 1 ATOM 444 C CD2 . TRP A 1 57 ? -6.334 -17.558 14.370 1.00 76.22 57 A 1 ATOM 445 N NE1 . TRP A 1 57 ? -4.374 -16.516 14.433 1.00 67.83 57 A 1 ATOM 446 C CE2 . TRP A 1 57 ? -5.261 -17.204 15.240 1.00 72.28 57 A 1 ATOM 447 C CE3 . TRP A 1 57 ? -7.403 -18.282 14.934 1.00 67.42 57 A 1 ATOM 448 C CZ2 . TRP A 1 57 ? -5.240 -17.559 16.601 1.00 71.07 57 A 1 ATOM 449 C CZ3 . TRP A 1 57 ? -7.403 -18.640 16.297 1.00 69.59 57 A 1 ATOM 450 C CH2 . TRP A 1 57 ? -6.324 -18.285 17.129 1.00 67.80 57 A 1 ATOM 451 N N . ARG A 1 58 ? -8.648 -14.909 13.480 1.00 86.04 58 A 1 ATOM 452 C CA . ARG A 1 58 ? -9.554 -14.610 14.602 1.00 86.67 58 A 1 ATOM 453 C C . ARG A 1 58 ? -10.715 -13.700 14.212 1.00 86.81 58 A 1 ATOM 454 O O . ARG A 1 58 ? -11.570 -13.442 15.061 1.00 82.17 58 A 1 ATOM 455 C CB . ARG A 1 58 ? -8.768 -13.982 15.770 1.00 84.10 58 A 1 ATOM 456 C CG . ARG A 1 58 ? -7.579 -14.846 16.214 1.00 76.90 58 A 1 ATOM 457 C CD . ARG A 1 58 ? -6.815 -14.206 17.380 1.00 73.99 58 A 1 ATOM 458 N NE . ARG A 1 58 ? -7.557 -14.317 18.646 1.00 66.66 58 A 1 ATOM 459 C CZ . ARG A 1 58 ? -7.127 -13.906 19.830 1.00 62.96 58 A 1 ATOM 460 N NH1 . ARG A 1 58 ? -5.976 -13.301 19.970 1.00 58.87 58 A 1 ATOM 461 N NH2 . ARG A 1 58 ? -7.841 -14.106 20.896 1.00 55.02 58 A 1 ATOM 462 N N . LEU A 1 59 ? -10.714 -13.153 13.000 1.00 82.75 59 A 1 ATOM 463 C CA . LEU A 1 59 ? -11.745 -12.231 12.543 1.00 82.62 59 A 1 ATOM 464 C C . LEU A 1 59 ? -13.017 -12.999 12.179 1.00 83.48 59 A 1 ATOM 465 O O . LEU A 1 59 ? -12.983 -13.988 11.451 1.00 80.90 59 A 1 ATOM 466 C CB . LEU A 1 59 ? -11.244 -11.392 11.352 1.00 80.99 59 A 1 ATOM 467 C CG . LEU A 1 59 ? -10.037 -10.483 11.655 1.00 77.49 59 A 1 ATOM 468 C CD1 . LEU A 1 59 ? -9.579 -9.785 10.367 1.00 72.56 59 A 1 ATOM 469 C CD2 . LEU A 1 59 ? -10.363 -9.399 12.681 1.00 72.91 59 A 1 ATOM 470 N N . ASP A 1 60 ? -14.150 -12.494 12.642 1.00 85.84 60 A 1 ATOM 471 C CA . ASP A 1 60 ? -15.453 -12.911 12.150 1.00 85.56 60 A 1 ATOM 472 C C . ASP A 1 60 ? -15.741 -12.285 10.763 1.00 86.55 60 A 1 ATOM 473 O O . ASP A 1 60 ? -15.063 -11.342 10.337 1.00 83.23 60 A 1 ATOM 474 C CB . ASP A 1 60 ? -16.530 -12.601 13.208 1.00 81.79 60 A 1 ATOM 475 C CG . ASP A 1 60 ? -16.797 -11.106 13.384 1.00 74.29 60 A 1 ATOM 476 O OD1 . ASP A 1 60 ? -15.836 -10.327 13.237 1.00 68.97 60 A 1 ATOM 477 O OD2 . ASP A 1 60 ? -17.958 -10.733 13.639 1.00 69.12 60 A 1 ATOM 478 N N . PRO A 1 61 ? -16.737 -12.786 10.021 1.00 85.39 61 A 1 ATOM 479 C CA . PRO A 1 61 ? -17.014 -12.307 8.661 1.00 86.05 61 A 1 ATOM 480 C C . PRO A 1 61 ? -17.287 -10.799 8.558 1.00 87.63 61 A 1 ATOM 481 O O . PRO A 1 61 ? -16.898 -10.176 7.572 1.00 85.02 61 A 1 ATOM 482 C CB . PRO A 1 61 ? -18.220 -13.127 8.190 1.00 84.03 61 A 1 ATOM 483 C CG . PRO A 1 61 ? -18.079 -14.435 8.968 1.00 81.00 61 A 1 ATOM 484 C CD . PRO A 1 61 ? -17.536 -13.969 10.317 1.00 82.90 61 A 1 ATOM 485 N N . ILE A 1 62 ? -17.927 -10.194 9.565 1.00 87.27 62 A 1 ATOM 486 C CA . ILE A 1 62 ? -18.255 -8.760 9.527 1.00 88.46 62 A 1 ATOM 487 C C . ILE A 1 62 ? -17.017 -7.890 9.785 1.00 88.35 62 A 1 ATOM 488 O O . ILE A 1 62 ? -16.813 -6.884 9.100 1.00 87.39 62 A 1 ATOM 489 C CB . ILE A 1 62 ? -19.451 -8.434 10.454 1.00 88.77 62 A 1 ATOM 490 C CG1 . ILE A 1 62 ? -20.007 -7.029 10.145 1.00 83.37 62 A 1 ATOM 491 C CG2 . ILE A 1 62 ? -19.106 -8.580 11.940 1.00 80.20 62 A 1 ATOM 492 C CD1 . ILE A 1 62 ? -21.414 -6.798 10.714 1.00 74.25 62 A 1 ATOM 493 N N . LEU A 1 63 ? -16.134 -8.304 10.703 1.00 87.22 63 A 1 ATOM 494 C CA . LEU A 1 63 ? -14.846 -7.651 10.917 1.00 86.12 63 A 1 ATOM 495 C C . LEU A 1 63 ? -13.954 -7.795 9.686 1.00 87.07 63 A 1 ATOM 496 O O . LEU A 1 63 ? -13.399 -6.794 9.240 1.00 87.99 63 A 1 ATOM 497 C CB . LEU A 1 63 ? -14.152 -8.191 12.176 1.00 86.18 63 A 1 ATOM 498 C CG . LEU A 1 63 ? -14.758 -7.712 13.504 1.00 77.61 63 A 1 ATOM 499 C CD1 . LEU A 1 63 ? -14.003 -8.364 14.665 1.00 71.58 63 A 1 ATOM 500 C CD2 . LEU A 1 63 ? -14.660 -6.194 13.680 1.00 72.74 63 A 1 ATOM 501 N N . LEU A 1 64 ? -13.881 -8.974 9.071 1.00 86.76 64 A 1 ATOM 502 C CA . LEU A 1 64 ? -13.143 -9.162 7.818 1.00 87.02 64 A 1 ATOM 503 C C . LEU A 1 64 ? -13.645 -8.215 6.717 1.00 88.14 64 A 1 ATOM 504 O O . LEU A 1 64 ? -12.843 -7.550 6.060 1.00 88.62 64 A 1 ATOM 505 C CB . LEU A 1 64 ? -13.243 -10.637 7.386 1.00 86.62 64 A 1 ATOM 506 C CG . LEU A 1 64 ? -12.409 -10.959 6.135 1.00 82.03 64 A 1 ATOM 507 C CD1 . LEU A 1 64 ? -10.906 -10.844 6.407 1.00 75.84 64 A 1 ATOM 508 C CD2 . LEU A 1 64 ? -12.704 -12.386 5.675 1.00 75.55 64 A 1 ATOM 509 N N . PHE A 1 65 ? -14.962 -8.090 6.552 1.00 88.74 65 A 1 ATOM 510 C CA . PHE A 1 65 ? -15.557 -7.150 5.602 1.00 89.46 65 A 1 ATOM 511 C C . PHE A 1 65 ? -15.175 -5.695 5.915 1.00 91.31 65 A 1 ATOM 512 O O . PHE A 1 65 ? -14.820 -4.943 5.008 1.00 91.98 65 A 1 ATOM 513 C CB . PHE A 1 65 ? -17.078 -7.339 5.589 1.00 90.00 65 A 1 ATOM 514 C CG . PHE A 1 65 ? -17.787 -6.374 4.661 1.00 88.76 65 A 1 ATOM 515 C CD1 . PHE A 1 65 ? -18.591 -5.341 5.182 1.00 84.22 65 A 1 ATOM 516 C CD2 . PHE A 1 65 ? -17.617 -6.490 3.269 1.00 85.49 65 A 1 ATOM 517 C CE1 . PHE A 1 65 ? -19.230 -4.443 4.314 1.00 83.01 65 A 1 ATOM 518 C CE2 . PHE A 1 65 ? -18.249 -5.585 2.401 1.00 83.66 65 A 1 ATOM 519 C CZ . PHE A 1 65 ? -19.057 -4.561 2.924 1.00 84.37 65 A 1 ATOM 520 N N . SER A 1 66 ? -15.166 -5.300 7.188 1.00 90.03 66 A 1 ATOM 521 C CA . SER A 1 66 ? -14.711 -3.964 7.587 1.00 89.56 66 A 1 ATOM 522 C C . SER A 1 66 ? -13.252 -3.702 7.187 1.00 90.25 66 A 1 ATOM 523 O O . SER A 1 66 ? -12.939 -2.608 6.717 1.00 90.09 66 A 1 ATOM 524 C CB . SER A 1 66 ? -14.946 -3.728 9.086 1.00 89.37 66 A 1 ATOM 525 O OG . SER A 1 66 ? -13.932 -4.291 9.892 1.00 78.67 66 A 1 ATOM 526 N N . GLN A 1 67 ? -12.367 -4.710 7.278 1.00 89.79 67 A 1 ATOM 527 C CA . GLN A 1 67 ? -10.973 -4.571 6.841 1.00 88.85 67 A 1 ATOM 528 C C . GLN A 1 67 ? -10.873 -4.379 5.325 1.00 90.03 67 A 1 ATOM 529 O O . GLN A 1 67 ? -10.085 -3.556 4.865 1.00 89.31 67 A 1 ATOM 530 C CB . GLN A 1 67 ? -10.111 -5.780 7.266 1.00 88.41 67 A 1 ATOM 531 C CG . GLN A 1 67 ? -10.079 -6.098 8.772 1.00 84.06 67 A 1 ATOM 532 C CD . GLN A 1 67 ? -9.910 -4.885 9.679 1.00 81.61 67 A 1 ATOM 533 O OE1 . GLN A 1 67 ? -9.226 -3.923 9.380 1.00 74.20 67 A 1 ATOM 534 N NE2 . GLN A 1 67 ? -10.530 -4.883 10.840 1.00 68.05 67 A 1 ATOM 535 N N . VAL A 1 68 ? -11.701 -5.075 4.541 1.00 90.90 68 A 1 ATOM 536 C CA . VAL A 1 68 ? -11.778 -4.867 3.083 1.00 91.12 68 A 1 ATOM 537 C C . VAL A 1 68 ? -12.154 -3.417 2.762 1.00 92.36 68 A 1 ATOM 538 O O . VAL A 1 68 ? -11.520 -2.794 1.907 1.00 92.15 68 A 1 ATOM 539 C CB . VAL A 1 68 ? -12.773 -5.847 2.424 1.00 91.57 68 A 1 ATOM 540 C CG1 . VAL A 1 68 ? -12.945 -5.583 0.920 1.00 88.09 68 A 1 ATOM 541 C CG2 . VAL A 1 68 ? -12.313 -7.302 2.574 1.00 87.44 68 A 1 ATOM 542 N N . LEU A 1 69 ? -13.133 -2.848 3.468 1.00 92.83 69 A 1 ATOM 543 C CA . LEU A 1 69 ? -13.538 -1.449 3.278 1.00 92.97 69 A 1 ATOM 544 C C . LEU A 1 69 ? -12.409 -0.472 3.633 1.00 92.68 69 A 1 ATOM 545 O O . LEU A 1 69 ? -12.136 0.444 2.860 1.00 93.83 69 A 1 ATOM 546 C CB . LEU A 1 69 ? -14.792 -1.136 4.113 1.00 94.43 69 A 1 ATOM 547 C CG . LEU A 1 69 ? -16.078 -1.871 3.683 1.00 89.53 69 A 1 ATOM 548 C CD1 . LEU A 1 69 ? -17.211 -1.458 4.624 1.00 83.67 69 A 1 ATOM 549 C CD2 . LEU A 1 69 ? -16.491 -1.540 2.246 1.00 85.12 69 A 1 ATOM 550 N N . VAL A 1 70 ? -11.707 -0.681 4.755 1.00 93.04 70 A 1 ATOM 551 C CA . VAL A 1 70 ? -10.565 0.163 5.164 1.00 91.52 70 A 1 ATOM 552 C C . VAL A 1 70 ? -9.445 0.122 4.122 1.00 91.55 70 A 1 ATOM 553 O O . VAL A 1 70 ? -8.903 1.167 3.754 1.00 91.05 70 A 1 ATOM 554 C CB . VAL A 1 70 ? -10.046 -0.257 6.554 1.00 90.74 70 A 1 ATOM 555 C CG1 . VAL A 1 70 ? -8.727 0.439 6.926 1.00 87.77 70 A 1 ATOM 556 C CG2 . VAL A 1 70 ? -11.069 0.103 7.640 1.00 87.02 70 A 1 ATOM 557 N N . ILE A 1 71 ? -9.120 -1.061 3.605 1.00 90.90 71 A 1 ATOM 558 C CA . ILE A 1 71 ? -8.126 -1.237 2.537 1.00 90.07 71 A 1 ATOM 559 C C . ILE A 1 71 ? -8.546 -0.472 1.280 1.00 89.91 71 A 1 ATOM 560 O O . ILE A 1 71 ? -7.751 0.287 0.724 1.00 89.34 71 A 1 ATOM 561 C CB . ILE A 1 71 ? -7.915 -2.746 2.274 1.00 91.05 71 A 1 ATOM 562 C CG1 . ILE A 1 71 ? -7.112 -3.355 3.450 1.00 90.31 71 A 1 ATOM 563 C CG2 . ILE A 1 71 ? -7.196 -3.003 0.938 1.00 89.03 71 A 1 ATOM 564 C CD1 . ILE A 1 71 ? -7.067 -4.884 3.448 1.00 85.66 71 A 1 ATOM 565 N N . PHE A 1 72 ? -9.800 -0.610 0.851 1.00 92.87 72 A 1 ATOM 566 C CA . PHE A 1 72 ? -10.324 0.081 -0.331 1.00 92.30 72 A 1 ATOM 567 C C . PHE A 1 72 ? -10.274 1.609 -0.186 1.00 92.49 72 A 1 ATOM 568 O O . PHE A 1 72 ? -9.826 2.310 -1.099 1.00 91.89 72 A 1 ATOM 569 C CB . PHE A 1 72 ? -11.752 -0.405 -0.600 1.00 92.67 72 A 1 ATOM 570 C CG . PHE A 1 72 ? -12.329 0.170 -1.875 1.00 86.01 72 A 1 ATOM 571 C CD1 . PHE A 1 72 ? -13.168 1.303 -1.834 1.00 78.48 72 A 1 ATOM 572 C CD2 . PHE A 1 72 ? -11.992 -0.403 -3.116 1.00 77.47 72 A 1 ATOM 573 C CE1 . PHE A 1 72 ? -13.670 1.853 -3.028 1.00 72.44 72 A 1 ATOM 574 C CE2 . PHE A 1 72 ? -12.491 0.150 -4.310 1.00 74.11 72 A 1 ATOM 575 C CZ . PHE A 1 72 ? -13.330 1.279 -4.267 1.00 76.00 72 A 1 ATOM 576 N N . ILE A 1 73 ? -10.678 2.134 0.970 1.00 93.26 73 A 1 ATOM 577 C CA . ILE A 1 73 ? -10.596 3.568 1.291 1.00 92.32 73 A 1 ATOM 578 C C . ILE A 1 73 ? -9.140 4.043 1.229 1.00 92.08 73 A 1 ATOM 579 O O . ILE A 1 73 ? -8.843 5.037 0.567 1.00 91.17 73 A 1 ATOM 580 C CB . ILE A 1 73 ? -11.243 3.832 2.674 1.00 93.31 73 A 1 ATOM 581 C CG1 . ILE A 1 73 ? -12.779 3.644 2.590 1.00 91.51 73 A 1 ATOM 582 C CG2 . ILE A 1 73 ? -10.918 5.242 3.197 1.00 90.44 73 A 1 ATOM 583 C CD1 . ILE A 1 73 ? -13.463 3.541 3.958 1.00 87.95 73 A 1 ATOM 584 N N . THR A 1 74 ? -8.218 3.302 1.858 1.00 91.76 74 A 1 ATOM 585 C CA . THR A 1 74 ? -6.783 3.636 1.878 1.00 90.56 74 A 1 ATOM 586 C C . THR A 1 74 ? -6.213 3.727 0.465 1.00 89.88 74 A 1 ATOM 587 O O . THR A 1 74 ? -5.588 4.728 0.115 1.00 88.30 74 A 1 ATOM 588 C CB . THR A 1 74 ? -5.992 2.605 2.703 1.00 90.22 74 A 1 ATOM 589 O OG1 . THR A 1 74 ? -6.505 2.543 4.013 1.00 82.01 74 A 1 ATOM 590 C CG2 . THR A 1 74 ? -4.515 2.971 2.823 1.00 81.37 74 A 1 ATOM 591 N N . PHE A 1 75 ? -6.478 2.733 -0.388 1.00 89.91 75 A 1 ATOM 592 C CA . PHE A 1 75 ? -6.026 2.763 -1.782 1.00 88.61 75 A 1 ATOM 593 C C . PHE A 1 75 ? -6.637 3.901 -2.584 1.00 89.55 75 A 1 ATOM 594 O O . PHE A 1 75 ? -5.935 4.544 -3.365 1.00 88.96 75 A 1 ATOM 595 C CB . PHE A 1 75 ? -6.319 1.424 -2.475 1.00 87.53 75 A 1 ATOM 596 C CG . PHE A 1 75 ? -5.226 0.413 -2.225 1.00 80.66 75 A 1 ATOM 597 C CD1 . PHE A 1 75 ? -3.922 0.684 -2.687 1.00 73.14 75 A 1 ATOM 598 C CD2 . PHE A 1 75 ? -5.488 -0.759 -1.498 1.00 71.17 75 A 1 ATOM 599 C CE1 . PHE A 1 75 ? -2.873 -0.190 -2.373 1.00 63.86 75 A 1 ATOM 600 C CE2 . PHE A 1 75 ? -4.436 -1.630 -1.185 1.00 65.49 75 A 1 ATOM 601 C CZ . PHE A 1 75 ? -3.126 -1.335 -1.606 1.00 65.67 75 A 1 ATOM 602 N N . SER A 1 76 ? -7.923 4.180 -2.378 1.00 90.32 76 A 1 ATOM 603 C CA . SER A 1 76 ? -8.598 5.291 -3.046 1.00 90.71 76 A 1 ATOM 604 C C . SER A 1 76 ? -7.928 6.627 -2.711 1.00 90.31 76 A 1 ATOM 605 O O . SER A 1 76 ? -7.646 7.416 -3.612 1.00 90.67 76 A 1 ATOM 606 C CB . SER A 1 76 ? -10.080 5.329 -2.662 1.00 92.08 76 A 1 ATOM 607 O OG . SER A 1 76 ? -10.723 4.123 -3.041 1.00 80.78 76 A 1 ATOM 608 N N . PHE A 1 77 ? -7.587 6.864 -1.437 1.00 91.43 77 A 1 ATOM 609 C CA . PHE A 1 77 ? -6.857 8.064 -1.034 1.00 90.21 77 A 1 ATOM 610 C C . PHE A 1 77 ? -5.439 8.116 -1.605 1.00 90.29 77 A 1 ATOM 611 O O . PHE A 1 77 ? -5.055 9.146 -2.161 1.00 89.49 77 A 1 ATOM 612 C CB . PHE A 1 77 ? -6.828 8.184 0.494 1.00 90.30 77 A 1 ATOM 613 C CG . PHE A 1 77 ? -8.106 8.747 1.085 1.00 85.48 77 A 1 ATOM 614 C CD1 . PHE A 1 77 ? -8.500 10.063 0.770 1.00 78.74 77 A 1 ATOM 615 C CD2 . PHE A 1 77 ? -8.886 7.982 1.966 1.00 77.75 77 A 1 ATOM 616 C CE1 . PHE A 1 77 ? -9.676 10.597 1.316 1.00 71.88 77 A 1 ATOM 617 C CE2 . PHE A 1 77 ? -10.062 8.518 2.515 1.00 73.37 77 A 1 ATOM 618 C CZ . PHE A 1 77 ? -10.458 9.824 2.188 1.00 75.95 77 A 1 ATOM 619 N N . CYS A 1 78 ? -4.677 7.019 -1.545 1.00 89.50 78 A 1 ATOM 620 C CA . CYS A 1 78 ? -3.342 6.956 -2.147 1.00 87.66 78 A 1 ATOM 621 C C . CYS A 1 78 ? -3.384 7.286 -3.647 1.00 88.20 78 A 1 ATOM 622 O O . CYS A 1 78 ? -2.592 8.096 -4.126 1.00 87.61 78 A 1 ATOM 623 C CB . CYS A 1 78 ? -2.737 5.562 -1.917 1.00 87.19 78 A 1 ATOM 624 S SG . CYS A 1 78 ? -2.314 5.329 -0.166 1.00 80.06 78 A 1 ATOM 625 N N . TRP A 1 79 ? -4.349 6.722 -4.380 1.00 89.49 79 A 1 ATOM 626 C CA . TRP A 1 79 ? -4.538 6.989 -5.807 1.00 89.52 79 A 1 ATOM 627 C C . TRP A 1 79 ? -4.855 8.459 -6.087 1.00 90.56 79 A 1 ATOM 628 O O . TRP A 1 79 ? -4.247 9.070 -6.972 1.00 90.07 79 A 1 ATOM 629 C CB . TRP A 1 79 ? -5.659 6.092 -6.339 1.00 89.05 79 A 1 ATOM 630 C CG . TRP A 1 79 ? -5.926 6.282 -7.797 1.00 85.11 79 A 1 ATOM 631 C CD1 . TRP A 1 79 ? -6.962 6.968 -8.334 1.00 79.12 79 A 1 ATOM 632 C CD2 . TRP A 1 79 ? -5.128 5.818 -8.923 1.00 80.26 79 A 1 ATOM 633 N NE1 . TRP A 1 79 ? -6.866 6.951 -9.712 1.00 73.02 79 A 1 ATOM 634 C CE2 . TRP A 1 79 ? -5.754 6.252 -10.132 1.00 77.61 79 A 1 ATOM 635 C CE3 . TRP A 1 79 ? -3.939 5.065 -9.050 1.00 74.25 79 A 1 ATOM 636 C CZ2 . TRP A 1 79 ? -5.227 5.953 -11.400 1.00 77.16 79 A 1 ATOM 637 C CZ3 . TRP A 1 79 ? -3.406 4.761 -10.315 1.00 72.84 79 A 1 ATOM 638 C CH2 . TRP A 1 79 ? -4.046 5.200 -11.490 1.00 72.43 79 A 1 ATOM 639 N N . ILE A 1 80 ? -5.779 9.053 -5.322 1.00 92.71 80 A 1 ATOM 640 C CA . ILE A 1 80 ? -6.139 10.473 -5.457 1.00 93.27 80 A 1 ATOM 641 C C . ILE A 1 80 ? -4.917 11.362 -5.213 1.00 93.19 80 A 1 ATOM 642 O O . ILE A 1 80 ? -4.654 12.260 -6.011 1.00 92.91 80 A 1 ATOM 643 C CB . ILE A 1 80 ? -7.319 10.816 -4.520 1.00 94.36 80 A 1 ATOM 644 C CG1 . ILE A 1 80 ? -8.619 10.148 -5.030 1.00 90.88 80 A 1 ATOM 645 C CG2 . ILE A 1 80 ? -7.527 12.341 -4.413 1.00 89.99 80 A 1 ATOM 646 C CD1 . ILE A 1 80 ? -9.737 10.111 -3.977 1.00 84.34 80 A 1 ATOM 647 N N . LEU A 1 81 ? -4.132 11.100 -4.160 1.00 90.31 81 A 1 ATOM 648 C CA . LEU A 1 81 ? -2.938 11.884 -3.825 1.00 88.65 81 A 1 ATOM 649 C C . LEU A 1 81 ? -1.861 11.809 -4.915 1.00 89.26 81 A 1 ATOM 650 O O . LEU A 1 81 ? -1.280 12.833 -5.273 1.00 89.50 81 A 1 ATOM 651 C CB . LEU A 1 81 ? -2.366 11.387 -2.484 1.00 88.09 81 A 1 ATOM 652 C CG . LEU A 1 81 ? -3.203 11.761 -1.248 1.00 78.58 81 A 1 ATOM 653 C CD1 . LEU A 1 81 ? -2.637 11.034 -0.026 1.00 73.59 81 A 1 ATOM 654 C CD2 . LEU A 1 81 ? -3.177 13.265 -0.972 1.00 73.42 81 A 1 ATOM 655 N N . ILE A 1 82 ? -1.604 10.622 -5.469 1.00 88.90 82 A 1 ATOM 656 C CA . ILE A 1 82 ? -0.652 10.452 -6.580 1.00 88.34 82 A 1 ATOM 657 C C . ILE A 1 82 ? -1.126 11.237 -7.803 1.00 89.18 82 A 1 ATOM 658 O O . ILE A 1 82 ? -0.371 12.028 -8.365 1.00 89.09 82 A 1 ATOM 659 C CB . ILE A 1 82 ? -0.440 8.952 -6.894 1.00 87.81 82 A 1 ATOM 660 C CG1 . ILE A 1 82 ? 0.307 8.267 -5.725 1.00 83.20 82 A 1 ATOM 661 C CG2 . ILE A 1 82 ? 0.356 8.764 -8.201 1.00 82.09 82 A 1 ATOM 662 C CD1 . ILE A 1 82 ? 0.236 6.733 -5.778 1.00 76.49 82 A 1 ATOM 663 N N . ARG A 1 83 ? -2.398 11.083 -8.177 1.00 90.26 83 A 1 ATOM 664 C CA . ARG A 1 83 ? -2.979 11.772 -9.334 1.00 91.16 83 A 1 ATOM 665 C C . ARG A 1 83 ? -2.968 13.296 -9.176 1.00 92.74 83 A 1 ATOM 666 O O . ARG A 1 83 ? -2.696 14.007 -10.141 1.00 93.17 83 A 1 ATOM 667 C CB . ARG A 1 83 ? -4.398 11.230 -9.560 1.00 92.31 83 A 1 ATOM 668 C CG . ARG A 1 83 ? -5.002 11.783 -10.854 1.00 83.96 83 A 1 ATOM 669 C CD . ARG A 1 83 ? -6.394 11.200 -11.074 1.00 82.07 83 A 1 ATOM 670 N NE . ARG A 1 83 ? -7.001 11.747 -12.301 1.00 74.70 83 A 1 ATOM 671 C CZ . ARG A 1 83 ? -8.245 11.575 -12.706 1.00 68.40 83 A 1 ATOM 672 N NH1 . ARG A 1 83 ? -9.093 10.858 -12.026 1.00 63.85 83 A 1 ATOM 673 N NH2 . ARG A 1 83 ? -8.658 12.126 -13.814 1.00 58.21 83 A 1 ATOM 674 N N . GLN A 1 84 ? -3.244 13.815 -7.985 1.00 92.66 84 A 1 ATOM 675 C CA . GLN A 1 84 ? -3.182 15.253 -7.706 1.00 93.17 84 A 1 ATOM 676 C C . GLN A 1 84 ? -1.756 15.796 -7.843 1.00 93.85 84 A 1 ATOM 677 O O . GLN A 1 84 ? -1.568 16.835 -8.473 1.00 93.73 84 A 1 ATOM 678 C CB . GLN A 1 84 ? -3.722 15.540 -6.301 1.00 93.76 84 A 1 ATOM 679 C CG . GLN A 1 84 ? -5.258 15.493 -6.259 1.00 87.57 84 A 1 ATOM 680 C CD . GLN A 1 84 ? -5.809 15.736 -4.852 1.00 82.52 84 A 1 ATOM 681 O OE1 . GLN A 1 84 ? -5.113 15.688 -3.850 1.00 78.03 84 A 1 ATOM 682 N NE2 . GLN A 1 84 ? -7.085 16.010 -4.716 1.00 74.05 84 A 1 ATOM 683 N N . ARG A 1 85 ? -0.747 15.080 -7.317 1.00 90.65 85 A 1 ATOM 684 C CA . ARG A 1 85 ? 0.669 15.461 -7.465 1.00 89.13 85 A 1 ATOM 685 C C . ARG A 1 85 ? 1.102 15.496 -8.931 1.00 90.54 85 A 1 ATOM 686 O O . ARG A 1 85 ? 1.734 16.458 -9.349 1.00 90.17 85 A 1 ATOM 687 C CB . ARG A 1 85 ? 1.550 14.494 -6.659 1.00 88.23 85 A 1 ATOM 688 C CG . ARG A 1 85 ? 1.456 14.771 -5.153 1.00 84.21 85 A 1 ATOM 689 C CD . ARG A 1 85 ? 2.345 13.810 -4.352 1.00 83.58 85 A 1 ATOM 690 N NE . ARG A 1 85 ? 1.778 12.455 -4.221 1.00 79.99 85 A 1 ATOM 691 C CZ . ARG A 1 85 ? 2.383 11.441 -3.608 1.00 76.43 85 A 1 ATOM 692 N NH1 . ARG A 1 85 ? 3.601 11.507 -3.192 1.00 71.12 85 A 1 ATOM 693 N NH2 . ARG A 1 85 ? 1.781 10.320 -3.365 1.00 66.75 85 A 1 ATOM 694 N N . GLU A 1 86 ? 0.707 14.500 -9.712 1.00 89.22 86 A 1 ATOM 695 C CA . GLU A 1 86 ? 0.985 14.465 -11.152 1.00 88.87 86 A 1 ATOM 696 C C . GLU A 1 86 ? 0.340 15.647 -11.887 1.00 90.02 86 A 1 ATOM 697 O O . GLU A 1 86 ? 0.982 16.296 -12.712 1.00 90.01 86 A 1 ATOM 698 C CB . GLU A 1 86 ? 0.491 13.129 -11.728 1.00 88.28 86 A 1 ATOM 699 C CG . GLU A 1 86 ? 0.951 12.945 -13.182 1.00 78.26 86 A 1 ATOM 700 C CD . GLU A 1 86 ? 0.405 11.682 -13.852 1.00 76.19 86 A 1 ATOM 701 O OE1 . GLU A 1 86 ? 0.741 11.508 -15.051 1.00 69.32 86 A 1 ATOM 702 O OE2 . GLU A 1 86 ? -0.418 10.960 -13.242 1.00 69.51 86 A 1 ATOM 703 N N . LEU A 1 87 ? -0.914 15.970 -11.570 1.00 91.39 87 A 1 ATOM 704 C CA . LEU A 1 87 ? -1.627 17.095 -12.182 1.00 92.15 87 A 1 ATOM 705 C C . LEU A 1 87 ? -0.964 18.441 -11.842 1.00 93.11 87 A 1 ATOM 706 O O . LEU A 1 87 ? -0.761 19.257 -12.736 1.00 93.27 87 A 1 ATOM 707 C CB . LEU A 1 87 ? -3.103 17.015 -11.763 1.00 93.37 87 A 1 ATOM 708 C CG . LEU A 1 87 ? -4.000 18.053 -12.464 1.00 85.77 87 A 1 ATOM 709 C CD1 . LEU A 1 87 ? -5.377 17.447 -12.739 1.00 78.73 87 A 1 ATOM 710 C CD2 . LEU A 1 87 ? -4.211 19.300 -11.604 1.00 81.61 87 A 1 ATOM 711 N N . ILE A 1 88 ? -0.575 18.660 -10.588 1.00 92.83 88 A 1 ATOM 712 C CA . ILE A 1 88 ? 0.138 19.873 -10.159 1.00 92.23 88 A 1 ATOM 713 C C . ILE A 1 88 ? 1.467 20.004 -10.906 1.00 91.97 88 A 1 ATOM 714 O O . ILE A 1 88 ? 1.777 21.079 -11.412 1.00 91.37 88 A 1 ATOM 715 C CB . ILE A 1 88 ? 0.337 19.866 -8.627 1.00 92.30 88 A 1 ATOM 716 C CG1 . ILE A 1 88 ? -1.026 20.046 -7.918 1.00 89.67 88 A 1 ATOM 717 C CG2 . ILE A 1 88 ? 1.311 20.973 -8.180 1.00 87.85 88 A 1 ATOM 718 C CD1 . ILE A 1 88 ? -0.992 19.690 -6.424 1.00 83.03 88 A 1 ATOM 719 N N . ARG A 1 89 ? 2.232 18.913 -11.018 1.00 91.18 89 A 1 ATOM 720 C CA . ARG A 1 89 ? 3.502 18.907 -11.751 1.00 89.31 89 A 1 ATOM 721 C C . ARG A 1 89 ? 3.313 19.318 -13.208 1.00 90.78 89 A 1 ATOM 722 O O . ARG A 1 89 ? 4.011 20.211 -13.678 1.00 90.32 89 A 1 ATOM 723 C CB . ARG A 1 89 ? 4.152 17.524 -11.629 1.00 88.00 89 A 1 ATOM 724 C CG . ARG A 1 89 ? 5.508 17.498 -12.344 1.00 78.41 89 A 1 ATOM 725 C CD . ARG A 1 89 ? 6.125 16.109 -12.264 1.00 75.68 89 A 1 ATOM 726 N NE . ARG A 1 89 ? 7.400 16.075 -13.004 1.00 68.93 89 A 1 ATOM 727 C CZ . ARG A 1 89 ? 8.200 15.039 -13.115 1.00 62.31 89 A 1 ATOM 728 N NH1 . ARG A 1 89 ? 7.901 13.869 -12.630 1.00 59.39 89 A 1 ATOM 729 N NH2 . ARG A 1 89 ? 9.345 15.171 -13.712 1.00 54.79 89 A 1 ATOM 730 N N . ARG A 1 90 ? 2.341 18.721 -13.908 1.00 90.51 90 A 1 ATOM 731 C CA . ARG A 1 90 ? 2.035 19.073 -15.305 1.00 89.76 90 A 1 ATOM 732 C C . ARG A 1 90 ? 1.663 20.546 -15.460 1.00 92.30 90 A 1 ATOM 733 O O . ARG A 1 90 ? 2.090 21.178 -16.417 1.00 91.84 90 A 1 ATOM 734 C CB . ARG A 1 90 ? 0.900 18.193 -15.843 1.00 89.83 90 A 1 ATOM 735 C CG . ARG A 1 90 ? 1.335 16.743 -16.097 1.00 82.64 90 A 1 ATOM 736 C CD . ARG A 1 90 ? 0.118 15.949 -16.580 1.00 79.96 90 A 1 ATOM 737 N NE . ARG A 1 90 ? 0.396 14.504 -16.711 1.00 73.98 90 A 1 ATOM 738 C CZ . ARG A 1 90 ? -0.218 13.658 -17.515 1.00 67.59 90 A 1 ATOM 739 N NH1 . ARG A 1 90 ? -1.121 14.048 -18.370 1.00 63.39 90 A 1 ATOM 740 N NH2 . ARG A 1 90 ? 0.055 12.385 -17.471 1.00 57.60 90 A 1 ATOM 741 N N . LEU A 1 91 ? 0.902 21.112 -14.530 1.00 93.33 91 A 1 ATOM 742 C CA . LEU A 1 91 ? 0.558 22.536 -14.549 1.00 93.25 91 A 1 ATOM 743 C C . LEU A 1 91 ? 1.800 23.425 -14.404 1.00 93.38 91 A 1 ATOM 744 O O . LEU A 1 91 ? 1.920 24.399 -15.134 1.00 93.73 91 A 1 ATOM 745 C CB . LEU A 1 91 ? -0.462 22.853 -13.442 1.00 94.80 91 A 1 ATOM 746 C CG . LEU A 1 91 ? -1.882 22.310 -13.706 1.00 88.77 91 A 1 ATOM 747 C CD1 . LEU A 1 91 ? -2.744 22.539 -12.461 1.00 81.34 91 A 1 ATOM 748 C CD2 . LEU A 1 91 ? -2.561 23.004 -14.889 1.00 83.67 91 A 1 ATOM 749 N N . ILE A 1 92 ? 2.730 23.078 -13.509 1.00 94.03 92 A 1 ATOM 750 C CA . ILE A 1 92 ? 3.982 23.828 -13.317 1.00 92.29 92 A 1 ATOM 751 C C . ILE A 1 92 ? 4.867 23.755 -14.568 1.00 91.76 92 A 1 ATOM 752 O O . ILE A 1 92 ? 5.426 24.765 -14.969 1.00 90.06 92 A 1 ATOM 753 C CB . ILE A 1 92 ? 4.717 23.329 -12.053 1.00 91.67 92 A 1 ATOM 754 C CG1 . ILE A 1 92 ? 3.894 23.671 -10.788 1.00 87.73 92 A 1 ATOM 755 C CG2 . ILE A 1 92 ? 6.125 23.947 -11.941 1.00 84.60 92 A 1 ATOM 756 C CD1 . ILE A 1 92 ? 4.363 22.929 -9.526 1.00 80.48 92 A 1 ATOM 757 N N . GLU A 1 93 ? 4.965 22.594 -15.212 1.00 91.35 93 A 1 ATOM 758 C CA . GLU A 1 93 ? 5.759 22.418 -16.444 1.00 90.15 93 A 1 ATOM 759 C C . GLU A 1 93 ? 5.186 23.188 -17.653 1.00 90.21 93 A 1 ATOM 760 O O . GLU A 1 93 ? 5.902 23.428 -18.624 1.00 87.54 93 A 1 ATOM 761 C CB . GLU A 1 93 ? 5.855 20.916 -16.776 1.00 88.87 93 A 1 ATOM 762 C CG . GLU A 1 93 ? 6.761 20.121 -15.812 1.00 82.26 93 A 1 ATOM 763 C CD . GLU A 1 93 ? 6.729 18.591 -16.040 1.00 78.27 93 A 1 ATOM 764 O OE1 . GLU A 1 93 ? 7.448 17.865 -15.299 1.00 73.54 93 A 1 ATOM 765 O OE2 . GLU A 1 93 ? 5.963 18.113 -16.908 1.00 72.81 93 A 1 ATOM 766 N N . THR A 1 94 ? 3.902 23.564 -17.623 1.00 92.51 94 A 1 ATOM 767 C CA . THR A 1 94 ? 3.239 24.324 -18.703 1.00 91.80 94 A 1 ATOM 768 C C . THR A 1 94 ? 3.264 25.847 -18.517 1.00 91.58 94 A 1 ATOM 769 O O . THR A 1 94 ? 2.823 26.562 -19.423 1.00 87.10 94 A 1 ATOM 770 C CB . THR A 1 94 ? 1.788 23.870 -18.921 1.00 91.91 94 A 1 ATOM 771 O OG1 . THR A 1 94 ? 1.022 23.886 -17.739 1.00 84.15 94 A 1 ATOM 772 C CG2 . THR A 1 94 ? 1.708 22.461 -19.505 1.00 79.81 94 A 1 ATOM 773 N N . LEU A 1 95 ? 3.738 26.345 -17.381 1.00 93.92 95 A 1 ATOM 774 C CA . LEU A 1 95 ? 3.892 27.773 -17.071 1.00 92.75 95 A 1 ATOM 775 C C . LEU A 1 95 ? 5.299 28.282 -17.432 1.00 90.35 95 A 1 ATOM 776 O O . LEU A 1 95 ? 5.380 29.426 -17.929 1.00 85.21 95 A 1 ATOM 777 C CB . LEU A 1 95 ? 3.600 27.997 -15.570 1.00 90.68 95 A 1 ATOM 778 C CG . LEU A 1 95 ? 2.112 27.959 -15.198 1.00 82.20 95 A 1 ATOM 779 C CD1 . LEU A 1 95 ? 1.964 27.877 -13.668 1.00 76.79 95 A 1 ATOM 780 C CD2 . LEU A 1 95 ? 1.390 29.222 -15.665 1.00 77.82 95 A 1 ATOM 781 O OXT . LEU A 1 95 ? 6.263 27.537 -17.170 1.00 74.65 95 A 1 #