# 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_acriia21 # _entry.id acriia21 # 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 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" "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 ASP 2 1 n TYR 3 1 n ASP 4 1 n ASN 5 1 n GLU 6 1 n ASN 7 1 n TYR 8 1 n LEU 9 1 n ILE 10 1 n PRO 11 1 n LYS 12 1 n ILE 13 1 n LEU 14 1 n LEU 15 1 n GLN 16 1 n ASP 17 1 n ASP 18 1 n PHE 19 1 n TYR 20 1 n SER 21 1 n SER 22 1 n LEU 23 1 n SER 24 1 n ALA 25 1 n LYS 26 1 n ASP 27 1 n ILE 28 1 n LEU 29 1 n VAL 30 1 n TYR 31 1 n ALA 32 1 n VAL 33 1 n LEU 34 1 n LYS 35 1 n ASP 36 1 n ARG 37 1 n GLN 38 1 n ILE 39 1 n GLU 40 1 n ALA 41 1 n LEU 42 1 n GLU 43 1 n LYS 44 1 n GLY 45 1 n TRP 46 1 n ILE 47 1 n ASP 48 1 n THR 49 1 n ASP 50 1 n GLY 51 1 n SER 52 1 n ILE 53 1 n TYR 54 1 n LEU 55 1 n ASN 56 1 n PHE 57 1 n LYS 58 1 n LEU 59 1 n ILE 60 1 n GLU 61 1 n LEU 62 1 n ALA 63 1 n LYS 64 1 n MET 65 1 n PHE 66 1 n SER 67 1 n CYS 68 1 n SER 69 1 n ARG 70 1 n THR 71 1 n THR 72 1 n MET 73 1 n ILE 74 1 n ASP 75 1 n VAL 76 1 n MET 77 1 n GLN 78 1 n ARG 79 1 n LEU 80 1 n GLU 81 1 n GLU 82 1 n VAL 83 1 n ASN 84 1 n LEU 85 1 n ILE 86 1 n GLU 87 1 n ARG 88 1 n GLU 89 1 n ARG 90 1 n VAL 91 1 n ASP 92 1 n VAL 93 1 n PHE 94 1 n TYR 95 1 n GLY 96 1 n TYR 97 1 n SER 98 1 n LEU 99 1 n PRO 100 1 n TYR 101 1 n LYS 102 1 n THR 103 1 n TYR 104 1 n ILE 105 1 n ASN 106 1 n GLU 107 1 n VAL 108 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-06 19:48:18)" _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 87.04 _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 65.91 1 1 A ASP 2 2 67.10 1 2 A TYR 3 2 71.49 1 3 A ASP 4 2 71.78 1 4 A ASN 5 2 71.43 1 5 A GLU 6 2 78.37 1 6 A ASN 7 2 89.21 1 7 A TYR 8 2 93.23 1 8 A LEU 9 2 91.38 1 9 A ILE 10 2 96.16 1 10 A PRO 11 2 97.15 1 11 A LYS 12 2 95.14 1 12 A ILE 13 2 94.72 1 13 A LEU 14 2 97.75 1 14 A LEU 15 2 96.15 1 15 A GLN 16 2 95.21 1 16 A ASP 17 2 96.16 1 17 A ASP 18 2 93.86 1 18 A PHE 19 2 94.38 1 19 A TYR 20 2 97.61 1 20 A SER 21 2 96.88 1 21 A SER 22 2 96.72 1 22 A LEU 23 2 97.84 1 23 A SER 24 2 97.77 1 24 A ALA 25 2 97.91 1 25 A LYS 26 2 94.38 1 26 A ASP 27 2 98.10 1 27 A ILE 28 2 98.19 1 28 A LEU 29 2 94.38 1 29 A VAL 30 2 97.95 1 30 A TYR 31 2 97.70 1 31 A ALA 32 2 97.42 1 32 A VAL 33 2 96.25 1 33 A LEU 34 2 95.97 1 34 A LYS 35 2 88.18 1 35 A ASP 36 2 90.59 1 36 A ARG 37 2 81.92 1 37 A GLN 38 2 86.74 1 38 A ILE 39 2 85.45 1 39 A GLU 40 2 83.41 1 40 A ALA 41 2 91.11 1 41 A LEU 42 2 85.62 1 42 A GLU 43 2 85.46 1 43 A LYS 44 2 84.36 1 44 A GLY 45 2 90.06 1 45 A TRP 46 2 85.34 1 46 A ILE 47 2 89.76 1 47 A ASP 48 2 89.30 1 48 A THR 49 2 90.53 1 49 A ASP 50 2 90.39 1 50 A GLY 51 2 94.93 1 51 A SER 52 2 93.96 1 52 A ILE 53 2 92.91 1 53 A TYR 54 2 91.24 1 54 A LEU 55 2 92.19 1 55 A ASN 56 2 79.52 1 56 A PHE 57 2 71.87 1 57 A LYS 58 2 78.58 1 58 A LEU 59 2 87.03 1 59 A ILE 60 2 85.67 1 60 A GLU 61 2 84.21 1 61 A LEU 62 2 90.52 1 62 A ALA 63 2 95.72 1 63 A LYS 64 2 88.48 1 64 A MET 65 2 90.34 1 65 A PHE 66 2 96.11 1 66 A SER 67 2 95.57 1 67 A CYS 68 2 97.06 1 68 A SER 69 2 96.86 1 69 A ARG 70 2 82.69 1 70 A THR 71 2 95.64 1 71 A THR 72 2 97.06 1 72 A MET 73 2 96.09 1 73 A ILE 74 2 94.67 1 74 A ASP 75 2 96.20 1 75 A VAL 76 2 98.10 1 76 A MET 77 2 96.06 1 77 A GLN 78 2 89.15 1 78 A ARG 79 2 95.62 1 79 A LEU 80 2 98.29 1 80 A GLU 81 2 93.42 1 81 A GLU 82 2 94.33 1 82 A VAL 83 2 97.57 1 83 A ASN 84 2 91.68 1 84 A LEU 85 2 97.74 1 85 A ILE 86 2 97.24 1 86 A GLU 87 2 90.02 1 87 A ARG 88 2 88.99 1 88 A GLU 89 2 84.71 1 89 A ARG 90 2 69.91 1 90 A VAL 91 2 75.03 1 91 A ASP 92 2 64.75 1 92 A VAL 93 2 55.71 1 93 A PHE 94 2 50.79 1 94 A TYR 95 2 50.07 1 95 A GLY 96 2 60.45 1 96 A TYR 97 2 53.64 1 97 A SER 98 2 57.34 1 98 A LEU 99 2 57.43 1 99 A PRO 100 2 71.12 1 100 A TYR 101 2 79.19 1 101 A LYS 102 2 87.60 1 102 A THR 103 2 94.11 1 103 A TYR 104 2 94.26 1 104 A ILE 105 2 93.94 1 105 A ASN 106 2 92.76 1 106 A GLU 107 2 80.89 1 107 A VAL 108 2 87.03 1 108 # _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 ASP . 2 A 2 A 3 1 n TYR . 3 A 3 A 4 1 n ASP . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n GLU . 6 A 6 A 7 1 n ASN . 7 A 7 A 8 1 n TYR . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n LYS . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n GLN . 16 A 16 A 17 1 n ASP . 17 A 17 A 18 1 n ASP . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n TYR . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n SER . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n LYS . 26 A 26 A 27 1 n ASP . 27 A 27 A 28 1 n ILE . 28 A 28 A 29 1 n LEU . 29 A 29 A 30 1 n VAL . 30 A 30 A 31 1 n TYR . 31 A 31 A 32 1 n ALA . 32 A 32 A 33 1 n VAL . 33 A 33 A 34 1 n LEU . 34 A 34 A 35 1 n LYS . 35 A 35 A 36 1 n ASP . 36 A 36 A 37 1 n ARG . 37 A 37 A 38 1 n GLN . 38 A 38 A 39 1 n ILE . 39 A 39 A 40 1 n GLU . 40 A 40 A 41 1 n ALA . 41 A 41 A 42 1 n LEU . 42 A 42 A 43 1 n GLU . 43 A 43 A 44 1 n LYS . 44 A 44 A 45 1 n GLY . 45 A 45 A 46 1 n TRP . 46 A 46 A 47 1 n ILE . 47 A 47 A 48 1 n ASP . 48 A 48 A 49 1 n THR . 49 A 49 A 50 1 n ASP . 50 A 50 A 51 1 n GLY . 51 A 51 A 52 1 n SER . 52 A 52 A 53 1 n ILE . 53 A 53 A 54 1 n TYR . 54 A 54 A 55 1 n LEU . 55 A 55 A 56 1 n ASN . 56 A 56 A 57 1 n PHE . 57 A 57 A 58 1 n LYS . 58 A 58 A 59 1 n LEU . 59 A 59 A 60 1 n ILE . 60 A 60 A 61 1 n GLU . 61 A 61 A 62 1 n LEU . 62 A 62 A 63 1 n ALA . 63 A 63 A 64 1 n LYS . 64 A 64 A 65 1 n MET . 65 A 65 A 66 1 n PHE . 66 A 66 A 67 1 n SER . 67 A 67 A 68 1 n CYS . 68 A 68 A 69 1 n SER . 69 A 69 A 70 1 n ARG . 70 A 70 A 71 1 n THR . 71 A 71 A 72 1 n THR . 72 A 72 A 73 1 n MET . 73 A 73 A 74 1 n ILE . 74 A 74 A 75 1 n ASP . 75 A 75 A 76 1 n VAL . 76 A 76 A 77 1 n MET . 77 A 77 A 78 1 n GLN . 78 A 78 A 79 1 n ARG . 79 A 79 A 80 1 n LEU . 80 A 80 A 81 1 n GLU . 81 A 81 A 82 1 n GLU . 82 A 82 A 83 1 n VAL . 83 A 83 A 84 1 n ASN . 84 A 84 A 85 1 n LEU . 85 A 85 A 86 1 n ILE . 86 A 86 A 87 1 n GLU . 87 A 87 A 88 1 n ARG . 88 A 88 A 89 1 n GLU . 89 A 89 A 90 1 n ARG . 90 A 90 A 91 1 n VAL . 91 A 91 A 92 1 n ASP . 92 A 92 A 93 1 n VAL . 93 A 93 A 94 1 n PHE . 94 A 94 A 95 1 n TYR . 95 A 95 A 96 1 n GLY . 96 A 96 A 97 1 n TYR . 97 A 97 A 98 1 n SER . 98 A 98 A 99 1 n LEU . 99 A 99 A 100 1 n PRO . 100 A 100 A 101 1 n TYR . 101 A 101 A 102 1 n LYS . 102 A 102 A 103 1 n THR . 103 A 103 A 104 1 n TYR . 104 A 104 A 105 1 n ILE . 105 A 105 A 106 1 n ASN . 106 A 106 A 107 1 n GLU . 107 A 107 A 108 1 n VAL . 108 A 108 # _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 ? -4.564 -4.836 29.462 1.00 68.06 1 A 1 ATOM 2 C CA . MET A 1 1 ? -4.205 -4.996 28.035 1.00 73.19 1 A 1 ATOM 3 C C . MET A 1 1 ? -3.040 -4.050 27.827 1.00 74.58 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.215 -2.866 28.091 1.00 70.74 1 A 1 ATOM 5 C CB . MET A 1 1 ? -5.408 -4.671 27.134 1.00 69.11 1 A 1 ATOM 6 C CG . MET A 1 1 ? -5.594 -5.675 25.996 1.00 62.26 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.248 -5.600 25.263 1.00 57.17 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.141 -6.942 24.055 1.00 52.17 1 A 1 ATOM 9 N N . ASP A 1 2 ? -1.866 -4.582 27.557 1.00 68.00 2 A 1 ATOM 10 C CA . ASP A 1 2 ? -0.622 -3.805 27.459 1.00 73.10 2 A 1 ATOM 11 C C . ASP A 1 2 ? -0.503 -3.317 26.007 1.00 74.04 2 A 1 ATOM 12 O O . ASP A 1 2 ? -0.285 -4.124 25.108 1.00 71.37 2 A 1 ATOM 13 C CB . ASP A 1 2 ? 0.536 -4.710 27.909 1.00 69.29 2 A 1 ATOM 14 C CG . ASP A 1 2 ? 1.847 -3.958 28.124 1.00 61.44 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? 1.818 -2.725 27.937 1.00 60.59 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? 2.825 -4.638 28.509 1.00 58.98 2 A 1 ATOM 17 N N . TYR A 1 3 ? -0.771 -2.025 25.774 1.00 77.63 3 A 1 ATOM 18 C CA . TYR A 1 3 ? -0.736 -1.407 24.444 1.00 79.22 3 A 1 ATOM 19 C C . TYR A 1 3 ? 0.657 -0.854 24.091 1.00 80.02 3 A 1 ATOM 20 O O . TYR A 1 3 ? 0.834 -0.302 23.007 1.00 76.21 3 A 1 ATOM 21 C CB . TYR A 1 3 ? -1.810 -0.315 24.354 1.00 76.62 3 A 1 ATOM 22 C CG . TYR A 1 3 ? -3.250 -0.810 24.398 1.00 72.99 3 A 1 ATOM 23 C CD1 . TYR A 1 3 ? -3.842 -1.351 23.237 1.00 69.64 3 A 1 ATOM 24 C CD2 . TYR A 1 3 ? -4.003 -0.712 25.583 1.00 69.29 3 A 1 ATOM 25 C CE1 . TYR A 1 3 ? -5.184 -1.783 23.259 1.00 64.89 3 A 1 ATOM 26 C CE2 . TYR A 1 3 ? -5.345 -1.147 25.610 1.00 65.04 3 A 1 ATOM 27 C CZ . TYR A 1 3 ? -5.936 -1.678 24.445 1.00 64.05 3 A 1 ATOM 28 O OH . TYR A 1 3 ? -7.236 -2.088 24.466 1.00 62.26 3 A 1 ATOM 29 N N . ASP A 1 4 ? 1.637 -1.007 24.982 1.00 75.20 4 A 1 ATOM 30 C CA . ASP A 1 4 ? 2.948 -0.356 24.847 1.00 76.42 4 A 1 ATOM 31 C C . ASP A 1 4 ? 3.783 -0.899 23.670 1.00 76.23 4 A 1 ATOM 32 O O . ASP A 1 4 ? 4.722 -0.239 23.226 1.00 73.54 4 A 1 ATOM 33 C CB . ASP A 1 4 ? 3.719 -0.446 26.179 1.00 74.25 4 A 1 ATOM 34 C CG . ASP A 1 4 ? 3.254 0.569 27.248 1.00 68.26 4 A 1 ATOM 35 O OD1 . ASP A 1 4 ? 2.513 1.514 26.894 1.00 65.64 4 A 1 ATOM 36 O OD2 . ASP A 1 4 ? 3.685 0.426 28.417 1.00 64.67 4 A 1 ATOM 37 N N . ASN A 1 5 ? 3.418 -2.055 23.116 1.00 76.87 5 A 1 ATOM 38 C CA . ASN A 1 5 ? 4.153 -2.707 22.024 1.00 78.38 5 A 1 ATOM 39 C C . ASN A 1 5 ? 3.503 -2.589 20.631 1.00 80.02 5 A 1 ATOM 40 O O . ASN A 1 5 ? 4.110 -3.019 19.653 1.00 77.11 5 A 1 ATOM 41 C CB . ASN A 1 5 ? 4.431 -4.166 22.425 1.00 74.07 5 A 1 ATOM 42 C CG . ASN A 1 5 ? 5.471 -4.280 23.526 1.00 65.78 5 A 1 ATOM 43 O OD1 . ASN A 1 5 ? 6.482 -3.600 23.552 1.00 60.69 5 A 1 ATOM 44 N ND2 . ASN A 1 5 ? 5.277 -5.170 24.468 1.00 58.54 5 A 1 ATOM 45 N N . GLU A 1 6 ? 2.303 -2.001 20.499 1.00 85.39 6 A 1 ATOM 46 C CA . GLU A 1 6 ? 1.603 -1.842 19.212 1.00 87.19 6 A 1 ATOM 47 C C . GLU A 1 6 ? 1.639 -0.379 18.748 1.00 89.49 6 A 1 ATOM 48 O O . GLU A 1 6 ? 0.675 0.375 18.887 1.00 87.72 6 A 1 ATOM 49 C CB . GLU A 1 6 ? 0.172 -2.403 19.283 1.00 82.86 6 A 1 ATOM 50 C CG . GLU A 1 6 ? 0.136 -3.939 19.384 1.00 74.04 6 A 1 ATOM 51 C CD . GLU A 1 6 ? -1.290 -4.525 19.313 1.00 70.79 6 A 1 ATOM 52 O OE1 . GLU A 1 6 ? -1.416 -5.766 19.439 1.00 64.34 6 A 1 ATOM 53 O OE2 . GLU A 1 6 ? -2.265 -3.749 19.158 1.00 63.52 6 A 1 ATOM 54 N N . ASN A 1 7 ? 2.772 0.053 18.195 1.00 92.40 7 A 1 ATOM 55 C CA . ASN A 1 7 ? 2.967 1.426 17.726 1.00 92.46 7 A 1 ATOM 56 C C . ASN A 1 7 ? 3.366 1.466 16.245 1.00 93.32 7 A 1 ATOM 57 O O . ASN A 1 7 ? 4.188 0.674 15.791 1.00 92.59 7 A 1 ATOM 58 C CB . ASN A 1 7 ? 4.029 2.120 18.592 1.00 90.76 7 A 1 ATOM 59 C CG . ASN A 1 7 ? 3.607 2.233 20.047 1.00 89.16 7 A 1 ATOM 60 O OD1 . ASN A 1 7 ? 2.731 3.007 20.385 1.00 81.57 7 A 1 ATOM 61 N ND2 . ASN A 1 7 ? 4.220 1.499 20.940 1.00 81.42 7 A 1 ATOM 62 N N . TYR A 1 8 ? 2.855 2.467 15.514 1.00 94.25 8 A 1 ATOM 63 C CA . TYR A 1 8 ? 3.343 2.797 14.173 1.00 94.79 8 A 1 ATOM 64 C C . TYR A 1 8 ? 4.600 3.662 14.268 1.00 95.29 8 A 1 ATOM 65 O O . TYR A 1 8 ? 4.622 4.678 14.967 1.00 94.56 8 A 1 ATOM 66 C CB . TYR A 1 8 ? 2.254 3.500 13.359 1.00 94.49 8 A 1 ATOM 67 C CG . TYR A 1 8 ? 1.046 2.625 13.083 1.00 94.28 8 A 1 ATOM 68 C CD1 . TYR A 1 8 ? 1.144 1.582 12.141 1.00 92.30 8 A 1 ATOM 69 C CD2 . TYR A 1 8 ? -0.162 2.826 13.786 1.00 92.56 8 A 1 ATOM 70 C CE1 . TYR A 1 8 ? 0.041 0.741 11.898 1.00 91.61 8 A 1 ATOM 71 C CE2 . TYR A 1 8 ? -1.267 1.984 13.546 1.00 91.86 8 A 1 ATOM 72 C CZ . TYR A 1 8 ? -1.163 0.940 12.600 1.00 92.12 8 A 1 ATOM 73 O OH . TYR A 1 8 ? -2.225 0.120 12.367 1.00 90.69 8 A 1 ATOM 74 N N . LEU A 1 9 ? 5.632 3.292 13.523 1.00 95.13 9 A 1 ATOM 75 C CA . LEU A 1 9 ? 6.886 4.037 13.481 1.00 95.21 9 A 1 ATOM 76 C C . LEU A 1 9 ? 6.857 5.077 12.357 1.00 96.19 9 A 1 ATOM 77 O O . LEU A 1 9 ? 6.652 4.752 11.188 1.00 96.01 9 A 1 ATOM 78 C CB . LEU A 1 9 ? 8.070 3.068 13.342 1.00 93.72 9 A 1 ATOM 79 C CG . LEU A 1 9 ? 8.232 2.074 14.514 1.00 87.86 9 A 1 ATOM 80 C CD1 . LEU A 1 9 ? 9.439 1.179 14.247 1.00 83.88 9 A 1 ATOM 81 C CD2 . LEU A 1 9 ? 8.452 2.781 15.860 1.00 83.04 9 A 1 ATOM 82 N N . ILE A 1 10 ? 7.114 6.342 12.717 1.00 96.85 10 A 1 ATOM 83 C CA . ILE A 1 10 ? 7.221 7.454 11.766 1.00 97.30 10 A 1 ATOM 84 C C . ILE A 1 10 ? 8.702 7.825 11.604 1.00 97.38 10 A 1 ATOM 85 O O . ILE A 1 10 ? 9.333 8.242 12.584 1.00 97.00 10 A 1 ATOM 86 C CB . ILE A 1 10 ? 6.355 8.657 12.209 1.00 97.17 10 A 1 ATOM 87 C CG1 . ILE A 1 10 ? 4.864 8.250 12.269 1.00 95.70 10 A 1 ATOM 88 C CG2 . ILE A 1 10 ? 6.557 9.839 11.240 1.00 95.28 10 A 1 ATOM 89 C CD1 . ILE A 1 10 ? 3.942 9.317 12.866 1.00 92.57 10 A 1 ATOM 90 N N . PRO A 1 11 ? 9.277 7.720 10.383 1.00 97.60 11 A 1 ATOM 91 C CA . PRO A 1 11 ? 10.627 8.209 10.119 1.00 97.49 11 A 1 ATOM 92 C C . PRO A 1 11 ? 10.723 9.719 10.376 1.00 97.92 11 A 1 ATOM 93 O O . PRO A 1 11 ? 9.974 10.509 9.805 1.00 97.76 11 A 1 ATOM 94 C CB . PRO A 1 11 ? 10.930 7.852 8.659 1.00 96.81 11 A 1 ATOM 95 C CG . PRO A 1 11 ? 9.985 6.688 8.366 1.00 95.57 11 A 1 ATOM 96 C CD . PRO A 1 11 ? 8.757 7.032 9.207 1.00 96.88 11 A 1 ATOM 97 N N . LYS A 1 12 ? 11.670 10.133 11.223 1.00 97.76 12 A 1 ATOM 98 C CA . LYS A 1 12 ? 11.835 11.549 11.608 1.00 97.87 12 A 1 ATOM 99 C C . LYS A 1 12 ? 12.105 12.463 10.414 1.00 97.98 12 A 1 ATOM 100 O O . LYS A 1 12 ? 11.660 13.604 10.429 1.00 97.74 12 A 1 ATOM 101 C CB . LYS A 1 12 ? 12.969 11.695 12.634 1.00 97.49 12 A 1 ATOM 102 C CG . LYS A 1 12 ? 12.633 11.046 13.983 1.00 96.33 12 A 1 ATOM 103 C CD . LYS A 1 12 ? 13.802 11.249 14.955 1.00 94.72 12 A 1 ATOM 104 C CE . LYS A 1 12 ? 13.489 10.589 16.299 1.00 91.10 12 A 1 ATOM 105 N NZ . LYS A 1 12 ? 14.642 10.695 17.224 1.00 85.27 12 A 1 ATOM 106 N N . ILE A 1 13 ? 12.786 11.946 9.386 1.00 97.90 13 A 1 ATOM 107 C CA . ILE A 1 13 ? 13.118 12.700 8.172 1.00 97.85 13 A 1 ATOM 108 C C . ILE A 1 13 ? 11.873 13.288 7.492 1.00 98.13 13 A 1 ATOM 109 O O . ILE A 1 13 ? 11.921 14.420 7.026 1.00 97.90 13 A 1 ATOM 110 C CB . ILE A 1 13 ? 13.970 11.825 7.226 1.00 97.22 13 A 1 ATOM 111 C CG1 . ILE A 1 13 ? 14.604 12.682 6.114 1.00 91.46 13 A 1 ATOM 112 C CG2 . ILE A 1 13 ? 13.163 10.650 6.650 1.00 91.11 13 A 1 ATOM 113 C CD1 . ILE A 1 13 ? 15.703 11.954 5.328 1.00 86.23 13 A 1 ATOM 114 N N . LEU A 1 14 ? 10.721 12.603 7.556 1.00 98.11 14 A 1 ATOM 115 C CA . LEU A 1 14 ? 9.458 13.091 6.978 1.00 98.07 14 A 1 ATOM 116 C C . LEU A 1 14 ? 8.942 14.391 7.624 1.00 98.03 14 A 1 ATOM 117 O O . LEU A 1 14 ? 8.083 15.065 7.061 1.00 97.59 14 A 1 ATOM 118 C CB . LEU A 1 14 ? 8.376 12.002 7.104 1.00 98.17 14 A 1 ATOM 119 C CG . LEU A 1 14 ? 8.707 10.645 6.459 1.00 97.77 14 A 1 ATOM 120 C CD1 . LEU A 1 14 ? 7.503 9.717 6.601 1.00 97.16 14 A 1 ATOM 121 C CD2 . LEU A 1 14 ? 9.050 10.766 4.980 1.00 97.11 14 A 1 ATOM 122 N N . LEU A 1 15 ? 9.436 14.728 8.825 1.00 98.04 15 A 1 ATOM 123 C CA . LEU A 1 15 ? 9.078 15.942 9.567 1.00 97.61 15 A 1 ATOM 124 C C . LEU A 1 15 ? 10.206 16.986 9.588 1.00 97.51 15 A 1 ATOM 125 O O . LEU A 1 15 ? 10.003 18.084 10.104 1.00 96.24 15 A 1 ATOM 126 C CB . LEU A 1 15 ? 8.707 15.543 11.010 1.00 97.09 15 A 1 ATOM 127 C CG . LEU A 1 15 ? 7.469 14.637 11.144 1.00 96.24 15 A 1 ATOM 128 C CD1 . LEU A 1 15 ? 7.342 14.144 12.584 1.00 93.24 15 A 1 ATOM 129 C CD2 . LEU A 1 15 ? 6.190 15.382 10.781 1.00 93.26 15 A 1 ATOM 130 N N . GLN A 1 16 ? 11.401 16.618 9.129 1.00 97.86 16 A 1 ATOM 131 C CA . GLN A 1 16 ? 12.616 17.424 9.282 1.00 97.52 16 A 1 ATOM 132 C C . GLN A 1 16 ? 13.183 17.913 7.950 1.00 97.51 16 A 1 ATOM 133 O O . GLN A 1 16 ? 13.851 18.943 7.940 1.00 96.61 16 A 1 ATOM 134 C CB . GLN A 1 16 ? 13.682 16.591 10.023 1.00 96.95 16 A 1 ATOM 135 C CG . GLN A 1 16 ? 13.295 16.340 11.486 1.00 95.61 16 A 1 ATOM 136 C CD . GLN A 1 16 ? 14.308 15.489 12.255 1.00 94.55 16 A 1 ATOM 137 O OE1 . GLN A 1 16 ? 15.130 14.744 11.748 1.00 90.62 16 A 1 ATOM 138 N NE2 . GLN A 1 16 ? 14.276 15.553 13.569 1.00 89.67 16 A 1 ATOM 139 N N . ASP A 1 17 ? 12.950 17.173 6.869 1.00 97.77 17 A 1 ATOM 140 C CA . ASP A 1 17 ? 13.481 17.481 5.547 1.00 97.79 17 A 1 ATOM 141 C C . ASP A 1 17 ? 12.437 18.235 4.709 1.00 97.88 17 A 1 ATOM 142 O O . ASP A 1 17 ? 11.294 17.786 4.563 1.00 97.50 17 A 1 ATOM 143 C CB . ASP A 1 17 ? 13.958 16.180 4.882 1.00 97.41 17 A 1 ATOM 144 C CG . ASP A 1 17 ? 14.837 16.414 3.656 1.00 96.27 17 A 1 ATOM 145 O OD1 . ASP A 1 17 ? 14.494 17.311 2.856 1.00 92.81 17 A 1 ATOM 146 O OD2 . ASP A 1 17 ? 15.853 15.696 3.538 1.00 91.88 17 A 1 ATOM 147 N N . ASP A 1 18 ? 12.847 19.368 4.141 1.00 97.44 18 A 1 ATOM 148 C CA . ASP A 1 18 ? 12.006 20.232 3.306 1.00 97.34 18 A 1 ATOM 149 C C . ASP A 1 18 ? 11.449 19.507 2.069 1.00 97.55 18 A 1 ATOM 150 O O . ASP A 1 18 ? 10.388 19.878 1.564 1.00 96.64 18 A 1 ATOM 151 C CB . ASP A 1 18 ? 12.810 21.470 2.868 1.00 96.60 18 A 1 ATOM 152 C CG . ASP A 1 18 ? 13.050 22.504 3.979 1.00 91.25 18 A 1 ATOM 153 O OD1 . ASP A 1 18 ? 12.259 22.545 4.948 1.00 86.89 18 A 1 ATOM 154 O OD2 . ASP A 1 18 ? 13.995 23.311 3.812 1.00 87.14 18 A 1 ATOM 155 N N . PHE A 1 19 ? 12.112 18.441 1.606 1.00 97.34 19 A 1 ATOM 156 C CA . PHE A 1 19 ? 11.625 17.606 0.505 1.00 97.22 19 A 1 ATOM 157 C C . PHE A 1 19 ? 10.218 17.043 0.775 1.00 97.59 19 A 1 ATOM 158 O O . PHE A 1 19 ? 9.392 16.949 -0.135 1.00 97.17 19 A 1 ATOM 159 C CB . PHE A 1 19 ? 12.633 16.474 0.264 1.00 96.45 19 A 1 ATOM 160 C CG . PHE A 1 19 ? 12.258 15.565 -0.888 1.00 95.09 19 A 1 ATOM 161 C CD1 . PHE A 1 19 ? 11.758 14.273 -0.643 1.00 92.11 19 A 1 ATOM 162 C CD2 . PHE A 1 19 ? 12.375 16.022 -2.213 1.00 92.54 19 A 1 ATOM 163 C CE1 . PHE A 1 19 ? 11.384 13.443 -1.714 1.00 90.28 19 A 1 ATOM 164 C CE2 . PHE A 1 19 ? 11.997 15.195 -3.287 1.00 91.00 19 A 1 ATOM 165 C CZ . PHE A 1 19 ? 11.504 13.905 -3.035 1.00 91.42 19 A 1 ATOM 166 N N . TYR A 1 20 ? 9.905 16.727 2.038 1.00 97.91 20 A 1 ATOM 167 C CA . TYR A 1 20 ? 8.614 16.171 2.454 1.00 97.95 20 A 1 ATOM 168 C C . TYR A 1 20 ? 7.620 17.226 2.970 1.00 97.96 20 A 1 ATOM 169 O O . TYR A 1 20 ? 6.529 16.879 3.430 1.00 97.42 20 A 1 ATOM 170 C CB . TYR A 1 20 ? 8.856 15.060 3.480 1.00 97.82 20 A 1 ATOM 171 C CG . TYR A 1 20 ? 9.740 13.935 2.974 1.00 98.07 20 A 1 ATOM 172 C CD1 . TYR A 1 20 ? 9.264 13.046 1.988 1.00 97.39 20 A 1 ATOM 173 C CD2 . TYR A 1 20 ? 11.048 13.789 3.474 1.00 97.65 20 A 1 ATOM 174 C CE1 . TYR A 1 20 ? 10.089 12.012 1.504 1.00 97.32 20 A 1 ATOM 175 C CE2 . TYR A 1 20 ? 11.879 12.759 2.991 1.00 97.36 20 A 1 ATOM 176 C CZ . TYR A 1 20 ? 11.400 11.870 2.004 1.00 97.56 20 A 1 ATOM 177 O OH . TYR A 1 20 ? 12.204 10.878 1.534 1.00 96.92 20 A 1 ATOM 178 N N . SER A 1 21 ? 7.948 18.513 2.874 1.00 98.03 21 A 1 ATOM 179 C CA . SER A 1 21 ? 7.121 19.616 3.402 1.00 97.63 21 A 1 ATOM 180 C C . SER A 1 21 ? 5.716 19.711 2.780 1.00 97.50 21 A 1 ATOM 181 O O . SER A 1 21 ? 4.806 20.280 3.387 1.00 96.51 21 A 1 ATOM 182 C CB . SER A 1 21 ? 7.850 20.951 3.202 1.00 96.91 21 A 1 ATOM 183 O OG . SER A 1 21 ? 8.084 21.189 1.825 1.00 94.70 21 A 1 ATOM 184 N N . SER A 1 22 ? 5.526 19.131 1.596 1.00 97.44 22 A 1 ATOM 185 C CA . SER A 1 22 ? 4.222 19.037 0.921 1.00 97.17 22 A 1 ATOM 186 C C . SER A 1 22 ? 3.266 18.019 1.560 1.00 97.53 22 A 1 ATOM 187 O O . SER A 1 22 ? 2.055 18.064 1.301 1.00 96.77 22 A 1 ATOM 188 C CB . SER A 1 22 ? 4.438 18.700 -0.561 1.00 96.39 22 A 1 ATOM 189 O OG . SER A 1 22 ? 5.038 17.430 -0.708 1.00 95.01 22 A 1 ATOM 190 N N . LEU A 1 23 ? 3.775 17.101 2.389 1.00 97.93 23 A 1 ATOM 191 C CA . LEU A 1 23 ? 2.977 16.074 3.044 1.00 98.11 23 A 1 ATOM 192 C C . LEU A 1 23 ? 2.189 16.649 4.222 1.00 98.07 23 A 1 ATOM 193 O O . LEU A 1 23 ? 2.708 17.329 5.104 1.00 97.69 23 A 1 ATOM 194 C CB . LEU A 1 23 ? 3.854 14.901 3.505 1.00 98.25 23 A 1 ATOM 195 C CG . LEU A 1 23 ? 4.590 14.147 2.387 1.00 97.97 23 A 1 ATOM 196 C CD1 . LEU A 1 23 ? 5.336 12.971 3.017 1.00 97.36 23 A 1 ATOM 197 C CD2 . LEU A 1 23 ? 3.642 13.604 1.319 1.00 97.38 23 A 1 ATOM 198 N N . SER A 1 24 ? 0.913 16.304 4.287 1.00 98.29 24 A 1 ATOM 199 C CA . SER A 1 24 ? 0.115 16.542 5.488 1.00 98.11 24 A 1 ATOM 200 C C . SER A 1 24 ? 0.416 15.499 6.571 1.00 98.32 24 A 1 ATOM 201 O O . SER A 1 24 ? 0.871 14.392 6.291 1.00 98.12 24 A 1 ATOM 202 C CB . SER A 1 24 ? -1.375 16.568 5.136 1.00 97.61 24 A 1 ATOM 203 O OG . SER A 1 24 ? -1.860 15.270 4.856 1.00 96.17 24 A 1 ATOM 204 N N . ALA A 1 25 ? 0.051 15.803 7.825 1.00 98.02 25 A 1 ATOM 205 C CA . ALA A 1 25 ? 0.130 14.826 8.917 1.00 97.98 25 A 1 ATOM 206 C C . ALA A 1 25 ? -0.625 13.518 8.602 1.00 98.19 25 A 1 ATOM 207 O O . ALA A 1 25 ? -0.196 12.439 9.004 1.00 97.98 25 A 1 ATOM 208 C CB . ALA A 1 25 ? -0.424 15.480 10.189 1.00 97.39 25 A 1 ATOM 209 N N . LYS A 1 26 ? -1.728 13.603 7.843 1.00 97.96 26 A 1 ATOM 210 C CA . LYS A 1 26 ? -2.465 12.418 7.391 1.00 97.96 26 A 1 ATOM 211 C C . LYS A 1 26 ? -1.642 11.572 6.421 1.00 98.24 26 A 1 ATOM 212 O O . LYS A 1 26 ? -1.663 10.357 6.546 1.00 98.15 26 A 1 ATOM 213 C CB . LYS A 1 26 ? -3.804 12.847 6.774 1.00 97.28 26 A 1 ATOM 214 C CG . LYS A 1 26 ? -4.675 11.636 6.377 1.00 95.39 26 A 1 ATOM 215 C CD . LYS A 1 26 ? -5.992 12.067 5.722 1.00 93.55 26 A 1 ATOM 216 C CE . LYS A 1 26 ? -6.876 12.823 6.717 1.00 88.06 26 A 1 ATOM 217 N NZ . LYS A 1 26 ? -8.083 13.355 6.060 1.00 82.80 26 A 1 ATOM 218 N N . ASP A 1 27 ? -0.931 12.201 5.492 1.00 98.41 27 A 1 ATOM 219 C CA . ASP A 1 27 ? -0.107 11.484 4.513 1.00 98.55 27 A 1 ATOM 220 C C . ASP A 1 27 ? 0.999 10.694 5.223 1.00 98.59 27 A 1 ATOM 221 O O . ASP A 1 27 ? 1.160 9.497 4.991 1.00 98.52 27 A 1 ATOM 222 C CB . ASP A 1 27 ? 0.485 12.469 3.484 1.00 98.49 27 A 1 ATOM 223 C CG . ASP A 1 27 ? -0.584 13.334 2.806 1.00 98.33 27 A 1 ATOM 224 O OD1 . ASP A 1 27 ? -1.697 12.843 2.527 1.00 97.01 27 A 1 ATOM 225 O OD2 . ASP A 1 27 ? -0.375 14.552 2.630 1.00 96.91 27 A 1 ATOM 226 N N . ILE A 1 28 ? 1.676 11.326 6.189 1.00 98.57 28 A 1 ATOM 227 C CA . ILE A 1 28 ? 2.723 10.704 7.011 1.00 98.55 28 A 1 ATOM 228 C C . ILE A 1 28 ? 2.169 9.525 7.825 1.00 98.51 28 A 1 ATOM 229 O O . ILE A 1 28 ? 2.780 8.458 7.877 1.00 98.32 28 A 1 ATOM 230 C CB . ILE A 1 28 ? 3.377 11.775 7.917 1.00 98.52 28 A 1 ATOM 231 C CG1 . ILE A 1 28 ? 4.081 12.850 7.048 1.00 98.12 28 A 1 ATOM 232 C CG2 . ILE A 1 28 ? 4.373 11.131 8.898 1.00 98.16 28 A 1 ATOM 233 C CD1 . ILE A 1 28 ? 4.598 14.054 7.838 1.00 96.77 28 A 1 ATOM 234 N N . LEU A 1 29 ? 0.989 9.686 8.433 1.00 98.39 29 A 1 ATOM 235 C CA . LEU A 1 29 ? 0.338 8.598 9.173 1.00 98.25 29 A 1 ATOM 236 C C . LEU A 1 29 ? -0.071 7.438 8.256 1.00 98.20 29 A 1 ATOM 237 O O . LEU A 1 29 ? 0.096 6.279 8.629 1.00 97.81 29 A 1 ATOM 238 C CB . LEU A 1 29 ? -0.887 9.140 9.924 1.00 97.84 29 A 1 ATOM 239 C CG . LEU A 1 29 ? -0.569 10.023 11.141 1.00 91.34 29 A 1 ATOM 240 C CD1 . LEU A 1 29 ? -1.872 10.627 11.671 1.00 86.23 29 A 1 ATOM 241 C CD2 . LEU A 1 29 ? 0.082 9.236 12.279 1.00 87.00 29 A 1 ATOM 242 N N . VAL A 1 30 ? -0.589 7.729 7.055 1.00 98.24 30 A 1 ATOM 243 C CA . VAL A 1 30 ? -0.905 6.688 6.062 1.00 98.19 30 A 1 ATOM 244 C C . VAL A 1 30 ? 0.361 5.937 5.672 1.00 98.08 30 A 1 ATOM 245 O O . VAL A 1 30 ? 0.351 4.709 5.713 1.00 97.86 30 A 1 ATOM 246 C CB . VAL A 1 30 ? -1.637 7.263 4.832 1.00 98.10 30 A 1 ATOM 247 C CG1 . VAL A 1 30 ? -1.794 6.231 3.706 1.00 97.63 30 A 1 ATOM 248 C CG2 . VAL A 1 30 ? -3.057 7.713 5.205 1.00 97.52 30 A 1 ATOM 249 N N . TYR A 1 31 ? 1.457 6.634 5.381 1.00 98.31 31 A 1 ATOM 250 C CA . TYR A 1 31 ? 2.740 6.000 5.071 1.00 98.21 31 A 1 ATOM 251 C C . TYR A 1 31 ? 3.226 5.085 6.204 1.00 97.98 31 A 1 ATOM 252 O O . TYR A 1 31 ? 3.591 3.940 5.946 1.00 97.69 31 A 1 ATOM 253 C CB . TYR A 1 31 ? 3.781 7.077 4.755 1.00 98.19 31 A 1 ATOM 254 C CG . TYR A 1 31 ? 5.171 6.506 4.556 1.00 98.19 31 A 1 ATOM 255 C CD1 . TYR A 1 31 ? 6.140 6.623 5.573 1.00 97.48 31 A 1 ATOM 256 C CD2 . TYR A 1 31 ? 5.484 5.817 3.366 1.00 97.67 31 A 1 ATOM 257 C CE1 . TYR A 1 31 ? 7.421 6.073 5.390 1.00 97.27 31 A 1 ATOM 258 C CE2 . TYR A 1 31 ? 6.764 5.265 3.183 1.00 97.23 31 A 1 ATOM 259 C CZ . TYR A 1 31 ? 7.737 5.396 4.195 1.00 97.53 31 A 1 ATOM 260 O OH . TYR A 1 31 ? 8.981 4.874 4.013 1.00 96.68 31 A 1 ATOM 261 N N . ALA A 1 32 ? 3.160 5.535 7.458 1.00 98.04 32 A 1 ATOM 262 C CA . ALA A 1 32 ? 3.549 4.720 8.612 1.00 97.67 32 A 1 ATOM 263 C C . ALA A 1 32 ? 2.726 3.421 8.715 1.00 97.25 32 A 1 ATOM 264 O O . ALA A 1 32 ? 3.287 2.351 8.930 1.00 96.59 32 A 1 ATOM 265 C CB . ALA A 1 32 ? 3.418 5.573 9.881 1.00 97.54 32 A 1 ATOM 266 N N . VAL A 1 33 ? 1.411 3.495 8.484 1.00 97.37 33 A 1 ATOM 267 C CA . VAL A 1 33 ? 0.530 2.313 8.451 1.00 96.84 33 A 1 ATOM 268 C C . VAL A 1 33 ? 0.860 1.393 7.276 1.00 96.41 33 A 1 ATOM 269 O O . VAL A 1 33 ? 0.829 0.171 7.422 1.00 95.58 33 A 1 ATOM 270 C CB . VAL A 1 33 ? -0.948 2.745 8.400 1.00 96.49 33 A 1 ATOM 271 C CG1 . VAL A 1 33 ? -1.912 1.579 8.127 1.00 95.53 33 A 1 ATOM 272 C CG2 . VAL A 1 33 ? -1.361 3.380 9.732 1.00 95.55 33 A 1 ATOM 273 N N . LEU A 1 34 ? 1.158 1.948 6.097 1.00 97.14 34 A 1 ATOM 274 C CA . LEU A 1 34 ? 1.544 1.150 4.933 1.00 96.63 34 A 1 ATOM 275 C C . LEU A 1 34 ? 2.862 0.412 5.184 1.00 95.99 34 A 1 ATOM 276 O O . LEU A 1 34 ? 2.950 -0.778 4.898 1.00 95.10 34 A 1 ATOM 277 C CB . LEU A 1 34 ? 1.653 2.044 3.687 1.00 96.62 34 A 1 ATOM 278 C CG . LEU A 1 34 ? 0.324 2.613 3.159 1.00 96.12 34 A 1 ATOM 279 C CD1 . LEU A 1 34 ? 0.605 3.511 1.953 1.00 95.10 34 A 1 ATOM 280 C CD2 . LEU A 1 34 ? -0.656 1.524 2.745 1.00 95.05 34 A 1 ATOM 281 N N . LYS A 1 35 ? 3.837 1.087 5.773 1.00 96.18 35 A 1 ATOM 282 C CA . LYS A 1 35 ? 5.135 0.504 6.125 1.00 95.39 35 A 1 ATOM 283 C C . LYS A 1 35 ? 4.985 -0.653 7.118 1.00 94.72 35 A 1 ATOM 284 O O . LYS A 1 35 ? 5.553 -1.716 6.895 1.00 93.49 35 A 1 ATOM 285 C CB . LYS A 1 35 ? 6.064 1.617 6.638 1.00 94.76 35 A 1 ATOM 286 C CG . LYS A 1 35 ? 7.482 1.081 6.887 1.00 88.15 35 A 1 ATOM 287 C CD . LYS A 1 35 ? 8.502 2.197 7.132 1.00 83.96 35 A 1 ATOM 288 C CE . LYS A 1 35 ? 9.884 1.541 7.260 1.00 77.42 35 A 1 ATOM 289 N NZ . LYS A 1 35 ? 11.007 2.487 7.017 1.00 69.57 35 A 1 ATOM 290 N N . ASP A 1 36 ? 4.183 -0.476 8.148 1.00 95.02 36 A 1 ATOM 291 C CA . ASP A 1 36 ? 3.884 -1.528 9.134 1.00 93.99 36 A 1 ATOM 292 C C . ASP A 1 36 ? 3.250 -2.772 8.481 1.00 93.37 36 A 1 ATOM 293 O O . ASP A 1 36 ? 3.658 -3.912 8.722 1.00 91.65 36 A 1 ATOM 294 C CB . ASP A 1 36 ? 2.964 -0.914 10.187 1.00 92.89 36 A 1 ATOM 295 C CG . ASP A 1 36 ? 2.676 -1.893 11.318 1.00 89.71 36 A 1 ATOM 296 O OD1 . ASP A 1 36 ? 3.618 -2.114 12.107 1.00 84.52 36 A 1 ATOM 297 O OD2 . ASP A 1 36 ? 1.519 -2.350 11.377 1.00 83.58 36 A 1 ATOM 298 N N . ARG A 1 37 ? 2.325 -2.562 7.533 1.00 94.11 37 A 1 ATOM 299 C CA . ARG A 1 37 ? 1.659 -3.650 6.799 1.00 93.25 37 A 1 ATOM 300 C C . ARG A 1 37 ? 2.578 -4.480 5.898 1.00 93.64 37 A 1 ATOM 301 O O . ARG A 1 37 ? 2.146 -5.540 5.441 1.00 92.13 37 A 1 ATOM 302 C CB . ARG A 1 37 ? 0.498 -3.078 5.983 1.00 91.94 37 A 1 ATOM 303 C CG . ARG A 1 37 ? -0.692 -2.733 6.883 1.00 86.00 37 A 1 ATOM 304 C CD . ARG A 1 37 ? -1.794 -2.108 6.027 1.00 80.70 37 A 1 ATOM 305 N NE . ARG A 1 37 ? -2.971 -1.783 6.842 1.00 75.30 37 A 1 ATOM 306 C CZ . ARG A 1 37 ? -4.224 -1.737 6.430 1.00 68.45 37 A 1 ATOM 307 N NH1 . ARG A 1 37 ? -4.548 -1.922 5.182 1.00 64.69 37 A 1 ATOM 308 N NH2 . ARG A 1 37 ? -5.182 -1.503 7.286 1.00 60.90 37 A 1 ATOM 309 N N . GLN A 1 38 ? 3.797 -4.057 5.623 1.00 92.33 38 A 1 ATOM 310 C CA . GLN A 1 38 ? 4.751 -4.887 4.874 1.00 91.81 38 A 1 ATOM 311 C C . GLN A 1 38 ? 5.071 -6.196 5.609 1.00 91.77 38 A 1 ATOM 312 O O . GLN A 1 38 ? 5.300 -7.213 4.956 1.00 89.93 38 A 1 ATOM 313 C CB . GLN A 1 38 ? 6.056 -4.127 4.596 1.00 90.06 38 A 1 ATOM 314 C CG . GLN A 1 38 ? 5.869 -2.950 3.631 1.00 85.04 38 A 1 ATOM 315 C CD . GLN A 1 38 ? 7.208 -2.297 3.303 1.00 85.08 38 A 1 ATOM 316 O OE1 . GLN A 1 38 ? 7.806 -1.621 4.120 1.00 78.91 38 A 1 ATOM 317 N NE2 . GLN A 1 38 ? 7.739 -2.489 2.115 1.00 75.76 38 A 1 ATOM 318 N N . ILE A 1 39 ? 5.019 -6.199 6.944 1.00 89.97 39 A 1 ATOM 319 C CA . ILE A 1 39 ? 5.221 -7.403 7.762 1.00 88.43 39 A 1 ATOM 320 C C . ILE A 1 39 ? 4.111 -8.417 7.456 1.00 89.27 39 A 1 ATOM 321 O O . ILE A 1 39 ? 4.382 -9.559 7.088 1.00 88.02 39 A 1 ATOM 322 C CB . ILE A 1 39 ? 5.275 -7.037 9.265 1.00 86.62 39 A 1 ATOM 323 C CG1 . ILE A 1 39 ? 6.419 -6.027 9.543 1.00 82.87 39 A 1 ATOM 324 C CG2 . ILE A 1 39 ? 5.448 -8.310 10.114 1.00 81.69 39 A 1 ATOM 325 C CD1 . ILE A 1 39 ? 6.428 -5.467 10.973 1.00 76.73 39 A 1 ATOM 326 N N . GLU A 1 40 ? 2.853 -7.975 7.487 1.00 89.28 40 A 1 ATOM 327 C CA . GLU A 1 40 ? 1.690 -8.811 7.154 1.00 88.75 40 A 1 ATOM 328 C C . GLU A 1 40 ? 1.706 -9.260 5.677 1.00 89.98 40 A 1 ATOM 329 O O . GLU A 1 40 ? 1.288 -10.370 5.344 1.00 89.10 40 A 1 ATOM 330 C CB . GLU A 1 40 ? 0.412 -8.005 7.465 1.00 86.66 40 A 1 ATOM 331 C CG . GLU A 1 40 ? -0.863 -8.855 7.405 1.00 80.64 40 A 1 ATOM 332 C CD . GLU A 1 40 ? -2.176 -8.045 7.457 1.00 79.37 40 A 1 ATOM 333 O OE1 . GLU A 1 40 ? -3.253 -8.690 7.527 1.00 73.22 40 A 1 ATOM 334 O OE2 . GLU A 1 40 ? -2.181 -6.824 7.204 1.00 73.68 40 A 1 ATOM 335 N N . ALA A 1 41 ? 2.186 -8.409 4.772 1.00 90.95 41 A 1 ATOM 336 C CA . ALA A 1 41 ? 2.307 -8.737 3.355 1.00 91.17 41 A 1 ATOM 337 C C . ALA A 1 41 ? 3.297 -9.887 3.114 1.00 91.85 41 A 1 ATOM 338 O O . ALA A 1 41 ? 3.003 -10.788 2.323 1.00 90.92 41 A 1 ATOM 339 C CB . ALA A 1 41 ? 2.719 -7.470 2.596 1.00 90.65 41 A 1 ATOM 340 N N . LEU A 1 42 ? 4.417 -9.888 3.828 1.00 90.41 42 A 1 ATOM 341 C CA . LEU A 1 42 ? 5.399 -10.967 3.785 1.00 90.42 42 A 1 ATOM 342 C C . LEU A 1 42 ? 4.789 -12.287 4.276 1.00 91.26 42 A 1 ATOM 343 O O . LEU A 1 42 ? 4.919 -13.309 3.602 1.00 89.96 42 A 1 ATOM 344 C CB . LEU A 1 42 ? 6.628 -10.547 4.614 1.00 88.87 42 A 1 ATOM 345 C CG . LEU A 1 42 ? 7.771 -11.578 4.609 1.00 81.71 42 A 1 ATOM 346 C CD1 . LEU A 1 42 ? 8.377 -11.760 3.220 1.00 75.99 42 A 1 ATOM 347 C CD2 . LEU A 1 42 ? 8.877 -11.116 5.559 1.00 76.35 42 A 1 ATOM 348 N N . GLU A 1 43 ? 4.062 -12.267 5.385 1.00 91.07 43 A 1 ATOM 349 C CA . GLU A 1 43 ? 3.367 -13.450 5.925 1.00 90.71 43 A 1 ATOM 350 C C . GLU A 1 43 ? 2.307 -14.005 4.959 1.00 90.98 43 A 1 ATOM 351 O O . GLU A 1 43 ? 2.105 -15.219 4.870 1.00 89.50 43 A 1 ATOM 352 C CB . GLU A 1 43 ? 2.679 -13.091 7.250 1.00 89.79 43 A 1 ATOM 353 C CG . GLU A 1 43 ? 3.668 -12.803 8.387 1.00 85.52 43 A 1 ATOM 354 C CD . GLU A 1 43 ? 2.962 -12.441 9.705 1.00 81.30 43 A 1 ATOM 355 O OE1 . GLU A 1 43 ? 3.667 -12.397 10.733 1.00 74.68 43 A 1 ATOM 356 O OE2 . GLU A 1 43 ? 1.719 -12.249 9.691 1.00 75.55 43 A 1 ATOM 357 N N . LYS A 1 44 ? 1.652 -13.123 4.185 1.00 90.10 44 A 1 ATOM 358 C CA . LYS A 1 44 ? 0.673 -13.490 3.153 1.00 88.81 44 A 1 ATOM 359 C C . LYS A 1 44 ? 1.305 -13.949 1.836 1.00 89.52 44 A 1 ATOM 360 O O . LYS A 1 44 ? 0.571 -14.330 0.921 1.00 88.24 44 A 1 ATOM 361 C CB . LYS A 1 44 ? -0.284 -12.314 2.927 1.00 87.80 44 A 1 ATOM 362 C CG . LYS A 1 44 ? -1.239 -12.145 4.115 1.00 85.13 44 A 1 ATOM 363 C CD . LYS A 1 44 ? -2.086 -10.888 3.920 1.00 81.41 44 A 1 ATOM 364 C CE . LYS A 1 44 ? -3.038 -10.756 5.103 1.00 77.52 44 A 1 ATOM 365 N NZ . LYS A 1 44 ? -3.725 -9.446 5.100 1.00 70.72 44 A 1 ATOM 366 N N . GLY A 1 45 ? 2.626 -13.891 1.712 1.00 90.65 45 A 1 ATOM 367 C CA . GLY A 1 45 ? 3.335 -14.236 0.479 1.00 90.23 45 A 1 ATOM 368 C C . GLY A 1 45 ? 3.105 -13.242 -0.665 1.00 90.75 45 A 1 ATOM 369 O O . GLY A 1 45 ? 3.146 -13.636 -1.830 1.00 88.59 45 A 1 ATOM 370 N N . TRP A 1 46 ? 2.832 -11.976 -0.367 1.00 91.89 46 A 1 ATOM 371 C CA . TRP A 1 46 ? 2.711 -10.912 -1.366 1.00 91.77 46 A 1 ATOM 372 C C . TRP A 1 46 ? 4.099 -10.446 -1.812 1.00 93.00 46 A 1 ATOM 373 O O . TRP A 1 46 ? 4.552 -9.350 -1.495 1.00 91.88 46 A 1 ATOM 374 C CB . TRP A 1 46 ? 1.841 -9.767 -0.836 1.00 90.11 46 A 1 ATOM 375 C CG . TRP A 1 46 ? 0.395 -10.074 -0.599 1.00 87.77 46 A 1 ATOM 376 C CD1 . TRP A 1 46 ? -0.274 -11.190 -0.976 1.00 83.55 46 A 1 ATOM 377 C CD2 . TRP A 1 46 ? -0.594 -9.234 0.071 1.00 84.58 46 A 1 ATOM 378 N NE1 . TRP A 1 46 ? -1.592 -11.107 -0.578 1.00 80.24 46 A 1 ATOM 379 C CE2 . TRP A 1 46 ? -1.843 -9.922 0.076 1.00 82.01 46 A 1 ATOM 380 C CE3 . TRP A 1 46 ? -0.551 -7.961 0.685 1.00 79.39 46 A 1 ATOM 381 C CZ2 . TRP A 1 46 ? -2.991 -9.383 0.673 1.00 79.24 46 A 1 ATOM 382 C CZ3 . TRP A 1 46 ? -1.697 -7.414 1.280 1.00 80.29 46 A 1 ATOM 383 C CH2 . TRP A 1 46 ? -2.914 -8.122 1.283 1.00 79.11 46 A 1 ATOM 384 N N . ILE A 1 47 ? 4.766 -11.337 -2.540 1.00 91.98 47 A 1 ATOM 385 C CA . ILE A 1 47 ? 6.106 -11.149 -3.092 1.00 92.65 47 A 1 ATOM 386 C C . ILE A 1 47 ? 5.987 -11.311 -4.609 1.00 92.44 47 A 1 ATOM 387 O O . ILE A 1 47 ? 5.341 -12.248 -5.083 1.00 91.08 47 A 1 ATOM 388 C CB . ILE A 1 47 ? 7.102 -12.147 -2.458 1.00 92.32 47 A 1 ATOM 389 C CG1 . ILE A 1 47 ? 7.092 -12.057 -0.907 1.00 88.12 47 A 1 ATOM 390 C CG2 . ILE A 1 47 ? 8.518 -11.877 -2.987 1.00 87.27 47 A 1 ATOM 391 C CD1 . ILE A 1 47 ? 7.904 -13.156 -0.208 1.00 82.21 47 A 1 ATOM 392 N N . ASP A 1 48 ? 6.542 -10.378 -5.373 1.00 92.57 48 A 1 ATOM 393 C CA . ASP A 1 48 ? 6.546 -10.455 -6.832 1.00 92.30 48 A 1 ATOM 394 C C . ASP A 1 48 ? 7.663 -11.365 -7.371 1.00 93.03 48 A 1 ATOM 395 O O . ASP A 1 48 ? 8.368 -12.046 -6.622 1.00 92.24 48 A 1 ATOM 396 C CB . ASP A 1 48 ? 6.536 -9.042 -7.434 1.00 90.39 48 A 1 ATOM 397 C CG . ASP A 1 48 ? 7.830 -8.249 -7.240 1.00 87.79 48 A 1 ATOM 398 O OD1 . ASP A 1 48 ? 8.877 -8.867 -6.956 1.00 82.07 48 A 1 ATOM 399 O OD2 . ASP A 1 48 ? 7.729 -7.019 -7.397 1.00 84.01 48 A 1 ATOM 400 N N . THR A 1 49 ? 7.785 -11.427 -8.698 1.00 92.70 49 A 1 ATOM 401 C CA . THR A 1 49 ? 8.780 -12.271 -9.377 1.00 92.90 49 A 1 ATOM 402 C C . THR A 1 49 ? 10.220 -11.843 -9.127 1.00 93.82 49 A 1 ATOM 403 O O . THR A 1 49 ? 11.117 -12.672 -9.256 1.00 92.41 49 A 1 ATOM 404 C CB . THR A 1 49 ? 8.534 -12.289 -10.892 1.00 91.51 49 A 1 ATOM 405 O OG1 . THR A 1 49 ? 8.356 -10.984 -11.409 1.00 86.42 49 A 1 ATOM 406 C CG2 . THR A 1 49 ? 7.267 -13.070 -11.217 1.00 83.97 49 A 1 ATOM 407 N N . ASP A 1 50 ? 10.420 -10.579 -8.764 1.00 94.18 50 A 1 ATOM 408 C CA . ASP A 1 50 ? 11.736 -9.984 -8.518 1.00 94.53 50 A 1 ATOM 409 C C . ASP A 1 50 ? 12.120 -10.050 -7.027 1.00 95.22 50 A 1 ATOM 410 O O . ASP A 1 50 ? 13.225 -9.685 -6.638 1.00 93.60 50 A 1 ATOM 411 C CB . ASP A 1 50 ? 11.743 -8.561 -9.100 1.00 93.23 50 A 1 ATOM 412 C CG . ASP A 1 50 ? 11.474 -8.544 -10.614 1.00 87.69 50 A 1 ATOM 413 O OD1 . ASP A 1 50 ? 11.940 -9.481 -11.309 1.00 82.83 50 A 1 ATOM 414 O OD2 . ASP A 1 50 ? 10.770 -7.626 -11.082 1.00 81.87 50 A 1 ATOM 415 N N . GLY A 1 51 ? 11.235 -10.591 -6.196 1.00 94.89 51 A 1 ATOM 416 C CA . GLY A 1 51 ? 11.430 -10.748 -4.755 1.00 94.94 51 A 1 ATOM 417 C C . GLY A 1 51 ? 11.003 -9.528 -3.935 1.00 95.52 51 A 1 ATOM 418 O O . GLY A 1 51 ? 11.229 -9.513 -2.723 1.00 94.36 51 A 1 ATOM 419 N N . SER A 1 52 ? 10.379 -8.527 -4.560 1.00 94.90 52 A 1 ATOM 420 C CA . SER A 1 52 ? 9.918 -7.316 -3.880 1.00 95.08 52 A 1 ATOM 421 C C . SER A 1 52 ? 8.579 -7.558 -3.182 1.00 95.54 52 A 1 ATOM 422 O O . SER A 1 52 ? 7.658 -8.168 -3.726 1.00 94.63 52 A 1 ATOM 423 C CB . SER A 1 52 ? 9.812 -6.136 -4.850 1.00 94.23 52 A 1 ATOM 424 O OG . SER A 1 52 ? 11.075 -5.882 -5.428 1.00 89.36 52 A 1 ATOM 425 N N . ILE A 1 53 ? 8.459 -7.057 -1.951 1.00 95.03 53 A 1 ATOM 426 C CA . ILE A 1 53 ? 7.219 -7.126 -1.170 1.00 95.22 53 A 1 ATOM 427 C C . ILE A 1 53 ? 6.280 -6.020 -1.645 1.00 95.42 53 A 1 ATOM 428 O O . ILE A 1 53 ? 6.641 -4.846 -1.654 1.00 94.79 53 A 1 ATOM 429 C CB . ILE A 1 53 ? 7.493 -7.021 0.347 1.00 94.54 53 A 1 ATOM 430 C CG1 . ILE A 1 53 ? 8.456 -8.134 0.820 1.00 91.24 53 A 1 ATOM 431 C CG2 . ILE A 1 53 ? 6.169 -7.096 1.134 1.00 91.40 53 A 1 ATOM 432 C CD1 . ILE A 1 53 ? 8.978 -7.925 2.244 1.00 85.66 53 A 1 ATOM 433 N N . TYR A 1 54 ? 5.042 -6.384 -1.979 1.00 94.82 54 A 1 ATOM 434 C CA . TYR A 1 54 ? 4.003 -5.422 -2.330 1.00 94.25 54 A 1 ATOM 435 C C . TYR A 1 54 ? 2.791 -5.548 -1.409 1.00 94.43 54 A 1 ATOM 436 O O . TYR A 1 54 ? 2.483 -6.607 -0.868 1.00 93.88 54 A 1 ATOM 437 C CB . TYR A 1 54 ? 3.616 -5.562 -3.810 1.00 93.03 54 A 1 ATOM 438 C CG . TYR A 1 54 ? 2.916 -6.856 -4.169 1.00 92.21 54 A 1 ATOM 439 C CD1 . TYR A 1 54 ? 3.670 -7.976 -4.578 1.00 90.42 54 A 1 ATOM 440 C CD2 . TYR A 1 54 ? 1.514 -6.955 -4.089 1.00 90.11 54 A 1 ATOM 441 C CE1 . TYR A 1 54 ? 3.026 -9.184 -4.899 1.00 88.66 54 A 1 ATOM 442 C CE2 . TYR A 1 54 ? 0.867 -8.166 -4.405 1.00 88.93 54 A 1 ATOM 443 C CZ . TYR A 1 54 ? 1.622 -9.282 -4.810 1.00 88.27 54 A 1 ATOM 444 O OH . TYR A 1 54 ? 1.002 -10.455 -5.110 1.00 85.84 54 A 1 ATOM 445 N N . LEU A 1 55 ? 2.060 -4.454 -1.271 1.00 94.06 55 A 1 ATOM 446 C CA . LEU A 1 55 ? 0.784 -4.428 -0.573 1.00 93.62 55 A 1 ATOM 447 C C . LEU A 1 55 ? -0.360 -4.596 -1.569 1.00 93.01 55 A 1 ATOM 448 O O . LEU A 1 55 ? -0.420 -3.926 -2.596 1.00 91.84 55 A 1 ATOM 449 C CB . LEU A 1 55 ? 0.644 -3.135 0.236 1.00 93.50 55 A 1 ATOM 450 C CG . LEU A 1 55 ? 1.765 -2.882 1.250 1.00 92.30 55 A 1 ATOM 451 C CD1 . LEU A 1 55 ? 1.447 -1.604 2.022 1.00 89.59 55 A 1 ATOM 452 C CD2 . LEU A 1 55 ? 1.906 -4.018 2.258 1.00 89.61 55 A 1 ATOM 453 N N . ASN A 1 56 ? -1.317 -5.450 -1.218 1.00 89.67 56 A 1 ATOM 454 C CA . ASN A 1 56 ? -2.552 -5.645 -1.962 1.00 86.77 56 A 1 ATOM 455 C C . ASN A 1 56 ? -3.743 -5.392 -1.030 1.00 85.61 56 A 1 ATOM 456 O O . ASN A 1 56 ? -4.151 -6.260 -0.259 1.00 81.44 56 A 1 ATOM 457 C CB . ASN A 1 56 ? -2.528 -7.046 -2.589 1.00 82.67 56 A 1 ATOM 458 C CG . ASN A 1 56 ? -3.707 -7.298 -3.499 1.00 75.37 56 A 1 ATOM 459 O OD1 . ASN A 1 56 ? -4.697 -6.587 -3.515 1.00 66.82 56 A 1 ATOM 460 N ND2 . ASN A 1 56 ? -3.650 -8.338 -4.293 1.00 67.82 56 A 1 ATOM 461 N N . PHE A 1 57 ? -4.287 -4.176 -1.085 1.00 82.45 57 A 1 ATOM 462 C CA . PHE A 1 57 ? -5.426 -3.789 -0.258 1.00 80.42 57 A 1 ATOM 463 C C . PHE A 1 57 ? -6.425 -2.946 -1.054 1.00 82.02 57 A 1 ATOM 464 O O . PHE A 1 57 ? -6.107 -2.310 -2.057 1.00 80.42 57 A 1 ATOM 465 C CB . PHE A 1 57 ? -4.951 -3.054 1.012 1.00 77.21 57 A 1 ATOM 466 C CG . PHE A 1 57 ? -4.094 -1.837 0.735 1.00 73.14 57 A 1 ATOM 467 C CD1 . PHE A 1 57 ? -2.692 -1.940 0.809 1.00 67.26 57 A 1 ATOM 468 C CD2 . PHE A 1 57 ? -4.681 -0.626 0.336 1.00 66.97 57 A 1 ATOM 469 C CE1 . PHE A 1 57 ? -1.887 -0.848 0.453 1.00 59.82 57 A 1 ATOM 470 C CE2 . PHE A 1 57 ? -3.872 0.466 -0.028 1.00 61.17 57 A 1 ATOM 471 C CZ . PHE A 1 57 ? -2.476 0.347 0.020 1.00 59.70 57 A 1 ATOM 472 N N . LYS A 1 58 ? -7.673 -2.904 -0.574 1.00 86.20 58 A 1 ATOM 473 C CA . LYS A 1 58 ? -8.684 -2.005 -1.130 1.00 85.81 58 A 1 ATOM 474 C C . LYS A 1 58 ? -8.508 -0.611 -0.532 1.00 88.51 58 A 1 ATOM 475 O O . LYS A 1 58 ? -8.592 -0.419 0.680 1.00 88.51 58 A 1 ATOM 476 C CB . LYS A 1 58 ? -10.088 -2.556 -0.876 1.00 82.87 58 A 1 ATOM 477 C CG . LYS A 1 58 ? -10.316 -3.889 -1.606 1.00 77.11 58 A 1 ATOM 478 C CD . LYS A 1 58 ? -11.702 -4.446 -1.275 1.00 72.31 58 A 1 ATOM 479 C CE . LYS A 1 58 ? -11.863 -5.808 -1.951 1.00 66.95 58 A 1 ATOM 480 N NZ . LYS A 1 58 ? -13.091 -6.493 -1.500 1.00 58.95 58 A 1 ATOM 481 N N . LEU A 1 59 ? -8.392 0.399 -1.390 1.00 88.72 59 A 1 ATOM 482 C CA . LEU A 1 59 ? -8.270 1.800 -0.968 1.00 90.45 59 A 1 ATOM 483 C C . LEU A 1 59 ? -9.406 2.254 -0.029 1.00 92.50 59 A 1 ATOM 484 O O . LEU A 1 59 ? -9.214 3.102 0.839 1.00 92.24 59 A 1 ATOM 485 C CB . LEU A 1 59 ? -8.246 2.651 -2.246 1.00 88.65 59 A 1 ATOM 486 C CG . LEU A 1 59 ? -7.780 4.097 -2.009 1.00 83.17 59 A 1 ATOM 487 C CD1 . LEU A 1 59 ? -6.291 4.152 -1.673 1.00 80.47 59 A 1 ATOM 488 C CD2 . LEU A 1 59 ? -8.012 4.896 -3.285 1.00 80.08 59 A 1 ATOM 489 N N . ILE A 1 60 ? -10.590 1.665 -0.170 1.00 90.46 60 A 1 ATOM 490 C CA . ILE A 1 60 ? -11.735 1.943 0.704 1.00 90.91 60 A 1 ATOM 491 C C . ILE A 1 60 ? -11.503 1.509 2.161 1.00 92.25 60 A 1 ATOM 492 O O . ILE A 1 60 ? -12.081 2.109 3.065 1.00 92.22 60 A 1 ATOM 493 C CB . ILE A 1 60 ? -13.014 1.315 0.104 1.00 89.29 60 A 1 ATOM 494 C CG1 . ILE A 1 60 ? -14.273 1.960 0.728 1.00 79.76 60 A 1 ATOM 495 C CG2 . ILE A 1 60 ? -13.039 -0.219 0.237 1.00 78.46 60 A 1 ATOM 496 C CD1 . ILE A 1 60 ? -15.558 1.675 -0.063 1.00 72.01 60 A 1 ATOM 497 N N . GLU A 1 61 ? -10.665 0.498 2.399 1.00 91.76 61 A 1 ATOM 498 C CA . GLU A 1 61 ? -10.322 0.036 3.752 1.00 90.78 61 A 1 ATOM 499 C C . GLU A 1 61 ? -9.430 1.061 4.460 1.00 92.46 61 A 1 ATOM 500 O O . GLU A 1 61 ? -9.741 1.458 5.583 1.00 92.32 61 A 1 ATOM 501 C CB . GLU A 1 61 ? -9.659 -1.350 3.685 1.00 88.58 61 A 1 ATOM 502 C CG . GLU A 1 61 ? -10.674 -2.420 3.235 1.00 82.22 61 A 1 ATOM 503 C CD . GLU A 1 61 ? -10.052 -3.761 2.820 1.00 78.02 61 A 1 ATOM 504 O OE1 . GLU A 1 61 ? -10.863 -4.630 2.404 1.00 71.02 61 A 1 ATOM 505 O OE2 . GLU A 1 61 ? -8.811 -3.869 2.784 1.00 70.70 61 A 1 ATOM 506 N N . LEU A 1 62 ? -8.414 1.587 3.754 1.00 91.22 62 A 1 ATOM 507 C CA . LEU A 1 62 ? -7.622 2.716 4.262 1.00 92.52 62 A 1 ATOM 508 C C . LEU A 1 62 ? -8.497 3.952 4.496 1.00 94.41 62 A 1 ATOM 509 O O . LEU A 1 62 ? -8.440 4.555 5.560 1.00 94.54 62 A 1 ATOM 510 C CB . LEU A 1 62 ? -6.490 3.067 3.283 1.00 91.67 62 A 1 ATOM 511 C CG . LEU A 1 62 ? -5.333 2.062 3.211 1.00 88.21 62 A 1 ATOM 512 C CD1 . LEU A 1 62 ? -4.324 2.588 2.189 1.00 86.02 62 A 1 ATOM 513 C CD2 . LEU A 1 62 ? -4.607 1.896 4.550 1.00 85.60 62 A 1 ATOM 514 N N . ALA A 1 63 ? -9.358 4.307 3.544 1.00 94.90 63 A 1 ATOM 515 C CA . ALA A 1 63 ? -10.250 5.458 3.697 1.00 95.66 63 A 1 ATOM 516 C C . ALA A 1 63 ? -11.130 5.346 4.957 1.00 96.28 63 A 1 ATOM 517 O O . ALA A 1 63 ? -11.284 6.323 5.689 1.00 96.20 63 A 1 ATOM 518 C CB . ALA A 1 63 ? -11.088 5.597 2.421 1.00 95.54 63 A 1 ATOM 519 N N . LYS A 1 64 ? -11.649 4.151 5.252 1.00 96.37 64 A 1 ATOM 520 C CA . LYS A 1 64 ? -12.405 3.878 6.485 1.00 96.37 64 A 1 ATOM 521 C C . LYS A 1 64 ? -11.532 4.014 7.732 1.00 96.67 64 A 1 ATOM 522 O O . LYS A 1 64 ? -11.949 4.682 8.669 1.00 96.07 64 A 1 ATOM 523 C CB . LYS A 1 64 ? -13.023 2.478 6.430 1.00 95.70 64 A 1 ATOM 524 C CG . LYS A 1 64 ? -14.246 2.400 5.508 1.00 85.83 64 A 1 ATOM 525 C CD . LYS A 1 64 ? -14.711 0.941 5.428 1.00 84.59 64 A 1 ATOM 526 C CE . LYS A 1 64 ? -15.936 0.796 4.525 1.00 76.07 64 A 1 ATOM 527 N NZ . LYS A 1 64 ? -16.424 -0.607 4.524 1.00 68.61 64 A 1 ATOM 528 N N . MET A 1 65 ? -10.331 3.422 7.728 1.00 96.11 65 A 1 ATOM 529 C CA . MET A 1 65 ? -9.398 3.484 8.861 1.00 95.70 65 A 1 ATOM 530 C C . MET A 1 65 ? -9.048 4.929 9.235 1.00 96.48 65 A 1 ATOM 531 O O . MET A 1 65 ? -9.017 5.279 10.410 1.00 95.71 65 A 1 ATOM 532 C CB . MET A 1 65 ? -8.140 2.682 8.503 1.00 93.79 65 A 1 ATOM 533 C CG . MET A 1 65 ? -7.133 2.629 9.655 1.00 85.66 65 A 1 ATOM 534 S SD . MET A 1 65 ? -5.666 1.649 9.248 1.00 84.26 65 A 1 ATOM 535 C CE . MET A 1 65 ? -4.773 1.807 10.825 1.00 75.02 65 A 1 ATOM 536 N N . PHE A 1 66 ? -8.847 5.785 8.230 1.00 96.57 66 A 1 ATOM 537 C CA . PHE A 1 66 ? -8.516 7.203 8.422 1.00 96.81 66 A 1 ATOM 538 C C . PHE A 1 66 ? -9.737 8.134 8.486 1.00 97.13 66 A 1 ATOM 539 O O . PHE A 1 66 ? -9.575 9.357 8.447 1.00 96.00 66 A 1 ATOM 540 C CB . PHE A 1 66 ? -7.500 7.617 7.356 1.00 96.64 66 A 1 ATOM 541 C CG . PHE A 1 66 ? -6.118 7.068 7.641 1.00 96.91 66 A 1 ATOM 542 C CD1 . PHE A 1 66 ? -5.237 7.798 8.455 1.00 95.38 66 A 1 ATOM 543 C CD2 . PHE A 1 66 ? -5.733 5.811 7.147 1.00 95.75 66 A 1 ATOM 544 C CE1 . PHE A 1 66 ? -3.978 7.270 8.774 1.00 95.24 66 A 1 ATOM 545 C CE2 . PHE A 1 66 ? -4.474 5.280 7.473 1.00 95.24 66 A 1 ATOM 546 C CZ . PHE A 1 66 ? -3.600 6.011 8.289 1.00 95.53 66 A 1 ATOM 547 N N . SER A 1 67 ? -10.947 7.580 8.564 1.00 96.82 67 A 1 ATOM 548 C CA . SER A 1 67 ? -12.213 8.329 8.614 1.00 96.94 67 A 1 ATOM 549 C C . SER A 1 67 ? -12.301 9.435 7.554 1.00 97.23 67 A 1 ATOM 550 O O . SER A 1 67 ? -12.697 10.571 7.831 1.00 96.10 67 A 1 ATOM 551 C CB . SER A 1 67 ? -12.465 8.858 10.031 1.00 96.25 67 A 1 ATOM 552 O OG . SER A 1 67 ? -12.587 7.769 10.928 1.00 90.07 67 A 1 ATOM 553 N N . CYS A 1 68 ? -11.889 9.125 6.317 1.00 97.31 68 A 1 ATOM 554 C CA . CYS A 1 68 ? -11.892 10.072 5.207 1.00 97.32 68 A 1 ATOM 555 C C . CYS A 1 68 ? -12.614 9.517 3.972 1.00 97.78 68 A 1 ATOM 556 O O . CYS A 1 68 ? -12.950 8.331 3.888 1.00 97.44 68 A 1 ATOM 557 C CB . CYS A 1 68 ? -10.453 10.545 4.929 1.00 96.29 68 A 1 ATOM 558 S SG . CYS A 1 68 ? -9.441 9.257 4.140 1.00 96.24 68 A 1 ATOM 559 N N . SER A 1 69 ? -12.883 10.392 3.007 1.00 97.35 69 A 1 ATOM 560 C CA . SER A 1 69 ? -13.497 9.969 1.748 1.00 97.29 69 A 1 ATOM 561 C C . SER A 1 69 ? -12.513 9.157 0.902 1.00 97.19 69 A 1 ATOM 562 O O . SER A 1 69 ? -11.297 9.276 1.033 1.00 96.84 69 A 1 ATOM 563 C CB . SER A 1 69 ? -14.049 11.180 0.978 1.00 97.16 69 A 1 ATOM 564 O OG . SER A 1 69 ? -13.034 11.830 0.243 1.00 95.34 69 A 1 ATOM 565 N N . ARG A 1 70 ? -13.042 8.351 -0.029 1.00 95.58 70 A 1 ATOM 566 C CA . ARG A 1 70 ? -12.218 7.641 -1.017 1.00 94.65 70 A 1 ATOM 567 C C . ARG A 1 70 ? -11.380 8.611 -1.850 1.00 95.24 70 A 1 ATOM 568 O O . ARG A 1 70 ? -10.228 8.311 -2.110 1.00 94.94 70 A 1 ATOM 569 C CB . ARG A 1 70 ? -13.117 6.765 -1.902 1.00 92.44 70 A 1 ATOM 570 C CG . ARG A 1 70 ? -12.307 5.945 -2.921 1.00 86.86 70 A 1 ATOM 571 C CD . ARG A 1 70 ? -13.224 5.063 -3.781 1.00 83.41 70 A 1 ATOM 572 N NE . ARG A 1 70 ? -12.464 4.346 -4.825 1.00 74.87 70 A 1 ATOM 573 C CZ . ARG A 1 70 ? -12.191 4.774 -6.053 1.00 68.31 70 A 1 ATOM 574 N NH1 . ARG A 1 70 ? -12.584 5.938 -6.490 1.00 62.75 70 A 1 ATOM 575 N NH2 . ARG A 1 70 ? -11.510 4.026 -6.873 1.00 60.51 70 A 1 ATOM 576 N N . THR A 1 71 ? -11.941 9.754 -2.233 1.00 96.81 71 A 1 ATOM 577 C CA . THR A 1 71 ? -11.232 10.799 -2.989 1.00 97.20 71 A 1 ATOM 578 C C . THR A 1 71 ? -10.053 11.344 -2.190 1.00 97.38 71 A 1 ATOM 579 O O . THR A 1 71 ? -8.938 11.319 -2.684 1.00 97.04 71 A 1 ATOM 580 C CB . THR A 1 71 ? -12.182 11.945 -3.372 1.00 96.94 71 A 1 ATOM 581 O OG1 . THR A 1 71 ? -13.321 11.408 -4.007 1.00 92.70 71 A 1 ATOM 582 C CG2 . THR A 1 71 ? -11.545 12.936 -4.339 1.00 91.41 71 A 1 ATOM 583 N N . THR A 1 72 ? -10.261 11.699 -0.915 1.00 97.52 72 A 1 ATOM 584 C CA . THR A 1 72 ? -9.170 12.142 -0.033 1.00 97.74 72 A 1 ATOM 585 C C . THR A 1 72 ? -8.054 11.100 0.059 1.00 97.95 72 A 1 ATOM 586 O O . THR A 1 72 ? -6.886 11.462 0.056 1.00 97.69 72 A 1 ATOM 587 C CB . THR A 1 72 ? -9.699 12.427 1.377 1.00 97.60 72 A 1 ATOM 588 O OG1 . THR A 1 72 ? -10.767 13.348 1.343 1.00 95.67 72 A 1 ATOM 589 C CG2 . THR A 1 72 ? -8.643 13.018 2.310 1.00 95.28 72 A 1 ATOM 590 N N . MET A 1 73 ? -8.391 9.808 0.134 1.00 97.13 73 A 1 ATOM 591 C CA . MET A 1 73 ? -7.375 8.755 0.169 1.00 96.95 73 A 1 ATOM 592 C C . MET A 1 73 ? -6.639 8.608 -1.173 1.00 96.91 73 A 1 ATOM 593 O O . MET A 1 73 ? -5.453 8.316 -1.165 1.00 96.65 73 A 1 ATOM 594 C CB . MET A 1 73 ? -8.011 7.434 0.619 1.00 96.60 73 A 1 ATOM 595 C CG . MET A 1 73 ? -6.971 6.334 0.873 1.00 95.58 73 A 1 ATOM 596 S SD . MET A 1 73 ? -5.670 6.727 2.080 1.00 95.84 73 A 1 ATOM 597 C CE . MET A 1 73 ? -6.633 6.930 3.592 1.00 93.10 73 A 1 ATOM 598 N N . ILE A 1 74 ? -7.300 8.824 -2.308 1.00 96.39 74 A 1 ATOM 599 C CA . ILE A 1 74 ? -6.627 8.874 -3.621 1.00 96.07 74 A 1 ATOM 600 C C . ILE A 1 74 ? -5.580 9.991 -3.625 1.00 96.73 74 A 1 ATOM 601 O O . ILE A 1 74 ? -4.436 9.729 -3.982 1.00 96.91 74 A 1 ATOM 602 C CB . ILE A 1 74 ? -7.642 9.037 -4.782 1.00 95.07 74 A 1 ATOM 603 C CG1 . ILE A 1 74 ? -8.479 7.751 -4.948 1.00 93.43 74 A 1 ATOM 604 C CG2 . ILE A 1 74 ? -6.937 9.364 -6.114 1.00 93.32 74 A 1 ATOM 605 C CD1 . ILE A 1 74 ? -9.729 7.923 -5.822 1.00 89.44 74 A 1 ATOM 606 N N . ASP A 1 75 ? -5.950 11.183 -3.161 1.00 97.54 75 A 1 ATOM 607 C CA . ASP A 1 75 ? -5.054 12.343 -3.119 1.00 98.00 75 A 1 ATOM 608 C C . ASP A 1 75 ? -3.855 12.100 -2.180 1.00 98.29 75 A 1 ATOM 609 O O . ASP A 1 75 ? -2.730 12.468 -2.501 1.00 98.21 75 A 1 ATOM 610 C CB . ASP A 1 75 ? -5.825 13.590 -2.651 1.00 97.90 75 A 1 ATOM 611 C CG . ASP A 1 75 ? -7.071 13.951 -3.473 1.00 95.73 75 A 1 ATOM 612 O OD1 . ASP A 1 75 ? -7.140 13.603 -4.669 1.00 91.94 75 A 1 ATOM 613 O OD2 . ASP A 1 75 ? -7.986 14.556 -2.856 1.00 92.01 75 A 1 ATOM 614 N N . VAL A 1 76 ? -4.075 11.448 -1.029 1.00 98.19 76 A 1 ATOM 615 C CA . VAL A 1 76 ? -2.995 11.024 -0.113 1.00 98.28 76 A 1 ATOM 616 C C . VAL A 1 76 ? -2.024 10.086 -0.824 1.00 98.41 76 A 1 ATOM 617 O O . VAL A 1 76 ? -0.824 10.332 -0.822 1.00 98.34 76 A 1 ATOM 618 C CB . VAL A 1 76 ? -3.566 10.348 1.151 1.00 98.16 76 A 1 ATOM 619 C CG1 . VAL A 1 76 ? -2.489 9.658 2.000 1.00 97.71 76 A 1 ATOM 620 C CG2 . VAL A 1 76 ? -4.289 11.346 2.053 1.00 97.63 76 A 1 ATOM 621 N N . MET A 1 77 ? -2.533 9.031 -1.456 1.00 97.61 77 A 1 ATOM 622 C CA . MET A 1 77 ? -1.687 8.056 -2.153 1.00 97.46 77 A 1 ATOM 623 C C . MET A 1 77 ? -0.915 8.702 -3.312 1.00 97.68 77 A 1 ATOM 624 O O . MET A 1 77 ? 0.221 8.325 -3.554 1.00 97.55 77 A 1 ATOM 625 C CB . MET A 1 77 ? -2.544 6.897 -2.678 1.00 96.96 77 A 1 ATOM 626 C CG . MET A 1 77 ? -3.187 6.060 -1.566 1.00 95.88 77 A 1 ATOM 627 S SD . MET A 1 77 ? -2.100 5.182 -0.425 1.00 95.00 77 A 1 ATOM 628 C CE . MET A 1 77 ? -1.356 3.966 -1.546 1.00 90.34 77 A 1 ATOM 629 N N . GLN A 1 78 ? -1.510 9.680 -3.996 1.00 97.77 78 A 1 ATOM 630 C CA . GLN A 1 78 ? -0.832 10.428 -5.049 1.00 97.75 78 A 1 ATOM 631 C C . GLN A 1 78 ? 0.319 11.276 -4.491 1.00 98.06 78 A 1 ATOM 632 O O . GLN A 1 78 ? 1.420 11.202 -5.026 1.00 98.06 78 A 1 ATOM 633 C CB . GLN A 1 78 ? -1.862 11.277 -5.806 1.00 97.22 78 A 1 ATOM 634 C CG . GLN A 1 78 ? -1.189 12.035 -6.962 1.00 85.81 78 A 1 ATOM 635 C CD . GLN A 1 78 ? -2.145 12.883 -7.785 1.00 81.71 78 A 1 ATOM 636 O OE1 . GLN A 1 78 ? -3.358 12.731 -7.785 1.00 74.97 78 A 1 ATOM 637 N NE2 . GLN A 1 78 ? -1.597 13.814 -8.541 1.00 71.04 78 A 1 ATOM 638 N N . ARG A 1 79 ? 0.110 12.022 -3.402 1.00 98.27 79 A 1 ATOM 639 C CA . ARG A 1 79 ? 1.191 12.808 -2.776 1.00 98.34 79 A 1 ATOM 640 C C . ARG A 1 79 ? 2.339 11.932 -2.280 1.00 98.49 79 A 1 ATOM 641 O O . ARG A 1 79 ? 3.491 12.307 -2.448 1.00 98.42 79 A 1 ATOM 642 C CB . ARG A 1 79 ? 0.646 13.649 -1.619 1.00 98.27 79 A 1 ATOM 643 C CG . ARG A 1 79 ? -0.140 14.869 -2.120 1.00 97.21 79 A 1 ATOM 644 C CD . ARG A 1 79 ? -0.474 15.816 -0.961 1.00 96.61 79 A 1 ATOM 645 N NE . ARG A 1 79 ? -1.358 15.175 0.039 1.00 94.24 79 A 1 ATOM 646 C CZ . ARG A 1 79 ? -2.664 15.056 -0.025 1.00 93.96 79 A 1 ATOM 647 N NH1 . ARG A 1 79 ? -3.358 15.531 -1.022 1.00 88.85 79 A 1 ATOM 648 N NH2 . ARG A 1 79 ? -3.300 14.447 0.930 1.00 89.15 79 A 1 ATOM 649 N N . LEU A 1 80 ? 2.041 10.764 -1.707 1.00 98.37 80 A 1 ATOM 650 C CA . LEU A 1 80 ? 3.079 9.810 -1.298 1.00 98.44 80 A 1 ATOM 651 C C . LEU A 1 80 ? 3.899 9.297 -2.492 1.00 98.36 80 A 1 ATOM 652 O O . LEU A 1 80 ? 5.102 9.107 -2.366 1.00 98.27 80 A 1 ATOM 653 C CB . LEU A 1 80 ? 2.433 8.632 -0.550 1.00 98.55 80 A 1 ATOM 654 C CG . LEU A 1 80 ? 1.813 8.971 0.817 1.00 98.27 80 A 1 ATOM 655 C CD1 . LEU A 1 80 ? 1.187 7.704 1.413 1.00 98.07 80 A 1 ATOM 656 C CD2 . LEU A 1 80 ? 2.830 9.515 1.814 1.00 98.02 80 A 1 ATOM 657 N N . GLU A 1 81 ? 3.253 9.085 -3.637 1.00 98.27 81 A 1 ATOM 658 C CA . GLU A 1 81 ? 3.915 8.684 -4.886 1.00 98.03 81 A 1 ATOM 659 C C . GLU A 1 81 ? 4.769 9.824 -5.467 1.00 98.12 81 A 1 ATOM 660 O O . GLU A 1 81 ? 5.897 9.591 -5.880 1.00 97.62 81 A 1 ATOM 661 C CB . GLU A 1 81 ? 2.826 8.191 -5.851 1.00 97.07 81 A 1 ATOM 662 C CG . GLU A 1 81 ? 3.326 7.570 -7.162 1.00 92.03 81 A 1 ATOM 663 C CD . GLU A 1 81 ? 2.152 6.877 -7.891 1.00 91.28 81 A 1 ATOM 664 O OE1 . GLU A 1 81 ? 2.298 5.709 -8.308 1.00 83.67 81 A 1 ATOM 665 O OE2 . GLU A 1 81 ? 1.026 7.438 -7.943 1.00 84.71 81 A 1 ATOM 666 N N . GLU A 1 82 ? 4.282 11.066 -5.422 1.00 97.71 82 A 1 ATOM 667 C CA . GLU A 1 82 ? 4.998 12.264 -5.900 1.00 97.66 82 A 1 ATOM 668 C C . GLU A 1 82 ? 6.325 12.512 -5.157 1.00 97.71 82 A 1 ATOM 669 O O . GLU A 1 82 ? 7.278 13.001 -5.757 1.00 97.25 82 A 1 ATOM 670 C CB . GLU A 1 82 ? 4.083 13.497 -5.759 1.00 97.45 82 A 1 ATOM 671 C CG . GLU A 1 82 ? 2.977 13.555 -6.832 1.00 94.38 82 A 1 ATOM 672 C CD . GLU A 1 82 ? 1.883 14.615 -6.572 1.00 92.40 82 A 1 ATOM 673 O OE1 . GLU A 1 82 ? 0.896 14.632 -7.358 1.00 86.61 82 A 1 ATOM 674 O OE2 . GLU A 1 82 ? 1.982 15.377 -5.584 1.00 87.83 82 A 1 ATOM 675 N N . VAL A 1 83 ? 6.404 12.152 -3.873 1.00 98.13 83 A 1 ATOM 676 C CA . VAL A 1 83 ? 7.634 12.237 -3.065 1.00 98.09 83 A 1 ATOM 677 C C . VAL A 1 83 ? 8.382 10.900 -2.972 1.00 98.08 83 A 1 ATOM 678 O O . VAL A 1 83 ? 9.235 10.723 -2.106 1.00 97.58 83 A 1 ATOM 679 C CB . VAL A 1 83 ? 7.388 12.870 -1.681 1.00 98.02 83 A 1 ATOM 680 C CG1 . VAL A 1 83 ? 6.783 14.276 -1.800 1.00 96.74 83 A 1 ATOM 681 C CG2 . VAL A 1 83 ? 6.491 12.008 -0.795 1.00 96.33 83 A 1 ATOM 682 N N . ASN A 1 84 ? 8.061 9.946 -3.852 1.00 98.00 84 A 1 ATOM 683 C CA . ASN A 1 84 ? 8.727 8.646 -3.965 1.00 97.68 84 A 1 ATOM 684 C C . ASN A 1 84 ? 8.722 7.793 -2.675 1.00 97.89 84 A 1 ATOM 685 O O . ASN A 1 84 ? 9.620 6.989 -2.446 1.00 97.05 84 A 1 ATOM 686 C CB . ASN A 1 84 ? 10.123 8.859 -4.583 1.00 96.57 84 A 1 ATOM 687 C CG . ASN A 1 84 ? 10.684 7.574 -5.161 1.00 87.53 84 A 1 ATOM 688 O OD1 . ASN A 1 84 ? 10.095 6.963 -6.032 1.00 81.16 84 A 1 ATOM 689 N ND2 . ASN A 1 84 ? 11.835 7.132 -4.720 1.00 77.54 84 A 1 ATOM 690 N N . LEU A 1 85 ? 7.714 7.954 -1.810 1.00 97.82 85 A 1 ATOM 691 C CA . LEU A 1 85 ? 7.524 7.095 -0.631 1.00 97.92 85 A 1 ATOM 692 C C . LEU A 1 85 ? 6.811 5.782 -0.965 1.00 97.83 85 A 1 ATOM 693 O O . LEU A 1 85 ? 6.902 4.811 -0.213 1.00 97.44 85 A 1 ATOM 694 C CB . LEU A 1 85 ? 6.736 7.857 0.442 1.00 98.09 85 A 1 ATOM 695 C CG . LEU A 1 85 ? 7.525 8.964 1.153 1.00 97.88 85 A 1 ATOM 696 C CD1 . LEU A 1 85 ? 6.604 9.673 2.149 1.00 97.42 85 A 1 ATOM 697 C CD2 . LEU A 1 85 ? 8.719 8.420 1.933 1.00 97.49 85 A 1 ATOM 698 N N . ILE A 1 86 ? 6.075 5.757 -2.067 1.00 97.91 86 A 1 ATOM 699 C CA . ILE A 1 86 ? 5.409 4.564 -2.583 1.00 97.79 86 A 1 ATOM 700 C C . ILE A 1 86 ? 5.497 4.534 -4.106 1.00 97.72 86 A 1 ATOM 701 O O . ILE A 1 86 ? 5.563 5.575 -4.756 1.00 97.41 86 A 1 ATOM 702 C CB . ILE A 1 86 ? 3.938 4.457 -2.113 1.00 97.55 86 A 1 ATOM 703 C CG1 . ILE A 1 86 ? 3.031 5.536 -2.741 1.00 97.02 86 A 1 ATOM 704 C CG2 . ILE A 1 86 ? 3.836 4.479 -0.573 1.00 96.31 86 A 1 ATOM 705 C CD1 . ILE A 1 86 ? 1.553 5.424 -2.371 1.00 96.22 86 A 1 ATOM 706 N N . GLU A 1 87 ? 5.392 3.334 -4.671 1.00 97.33 87 A 1 ATOM 707 C CA . GLU A 1 87 ? 5.183 3.102 -6.101 1.00 96.93 87 A 1 ATOM 708 C C . GLU A 1 87 ? 3.935 2.248 -6.299 1.00 96.77 87 A 1 ATOM 709 O O . GLU A 1 87 ? 3.639 1.351 -5.507 1.00 95.97 87 A 1 ATOM 710 C CB . GLU A 1 87 ? 6.417 2.439 -6.717 1.00 96.09 87 A 1 ATOM 711 C CG . GLU A 1 87 ? 7.582 3.428 -6.801 1.00 88.11 87 A 1 ATOM 712 C CD . GLU A 1 87 ? 8.897 2.788 -7.257 1.00 86.06 87 A 1 ATOM 713 O OE1 . GLU A 1 87 ? 9.944 3.349 -6.858 1.00 75.98 87 A 1 ATOM 714 O OE2 . GLU A 1 87 ? 8.840 1.769 -7.981 1.00 76.96 87 A 1 ATOM 715 N N . ARG A 1 88 ? 3.160 2.542 -7.342 1.00 95.74 88 A 1 ATOM 716 C CA . ARG A 1 88 ? 1.913 1.817 -7.610 1.00 95.04 88 A 1 ATOM 717 C C . ARG A 1 88 ? 1.881 1.275 -9.026 1.00 94.72 88 A 1 ATOM 718 O O . ARG A 1 88 ? 1.851 2.026 -9.995 1.00 93.54 88 A 1 ATOM 719 C CB . ARG A 1 88 ? 0.694 2.701 -7.339 1.00 93.77 88 A 1 ATOM 720 C CG . ARG A 1 88 ? 0.561 3.072 -5.861 1.00 91.66 88 A 1 ATOM 721 C CD . ARG A 1 88 ? -0.706 3.900 -5.618 1.00 90.09 88 A 1 ATOM 722 N NE . ARG A 1 88 ? -0.648 5.194 -6.321 1.00 85.78 88 A 1 ATOM 723 C CZ . ARG A 1 88 ? -1.610 6.088 -6.427 1.00 84.43 88 A 1 ATOM 724 N NH1 . ARG A 1 88 ? -2.775 5.908 -5.884 1.00 79.08 88 A 1 ATOM 725 N NH2 . ARG A 1 88 ? -1.404 7.191 -7.082 1.00 75.05 88 A 1 ATOM 726 N N . GLU A 1 89 ? 1.736 -0.031 -9.131 1.00 93.40 89 A 1 ATOM 727 C CA . GLU A 1 89 ? 1.603 -0.723 -10.406 1.00 92.06 89 A 1 ATOM 728 C C . GLU A 1 89 ? 0.184 -1.256 -10.591 1.00 91.13 89 A 1 ATOM 729 O O . GLU A 1 89 ? -0.401 -1.888 -9.707 1.00 88.77 89 A 1 ATOM 730 C CB . GLU A 1 89 ? 2.621 -1.853 -10.511 1.00 90.09 89 A 1 ATOM 731 C CG . GLU A 1 89 ? 4.060 -1.329 -10.588 1.00 80.12 89 A 1 ATOM 732 C CD . GLU A 1 89 ? 5.060 -2.467 -10.825 1.00 80.25 89 A 1 ATOM 733 O OE1 . GLU A 1 89 ? 6.222 -2.137 -11.102 1.00 72.72 89 A 1 ATOM 734 O OE2 . GLU A 1 89 ? 4.628 -3.653 -10.765 1.00 73.81 89 A 1 ATOM 735 N N . ARG A 1 90 ? -0.388 -1.016 -11.767 1.00 87.96 90 A 1 ATOM 736 C CA . ARG A 1 90 ? -1.642 -1.677 -12.138 1.00 84.58 90 A 1 ATOM 737 C C . ARG A 1 90 ? -1.348 -3.134 -12.454 1.00 83.22 90 A 1 ATOM 738 O O . ARG A 1 90 ? -0.573 -3.428 -13.353 1.00 78.68 90 A 1 ATOM 739 C CB . ARG A 1 90 ? -2.320 -0.993 -13.327 1.00 80.74 90 A 1 ATOM 740 C CG . ARG A 1 90 ? -2.952 0.335 -12.907 1.00 70.09 90 A 1 ATOM 741 C CD . ARG A 1 90 ? -3.818 0.882 -14.034 1.00 67.23 90 A 1 ATOM 742 N NE . ARG A 1 90 ? -4.458 2.147 -13.625 1.00 60.78 90 A 1 ATOM 743 C CZ . ARG A 1 90 ? -5.477 2.738 -14.218 1.00 54.86 90 A 1 ATOM 744 N NH1 . ARG A 1 90 ? -6.049 2.233 -15.277 1.00 52.55 90 A 1 ATOM 745 N NH2 . ARG A 1 90 ? -5.934 3.862 -13.748 1.00 48.33 90 A 1 ATOM 746 N N . VAL A 1 91 ? -2.046 -4.025 -11.763 1.00 82.47 91 A 1 ATOM 747 C CA . VAL A 1 91 ? -2.080 -5.429 -12.172 1.00 78.81 91 A 1 ATOM 748 C C . VAL A 1 91 ? -3.022 -5.540 -13.367 1.00 76.93 91 A 1 ATOM 749 O O . VAL A 1 91 ? -4.139 -5.016 -13.324 1.00 69.84 91 A 1 ATOM 750 C CB . VAL A 1 91 ? -2.487 -6.352 -11.011 1.00 75.65 91 A 1 ATOM 751 C CG1 . VAL A 1 91 ? -2.237 -7.818 -11.389 1.00 70.08 91 A 1 ATOM 752 C CG2 . VAL A 1 91 ? -1.684 -6.060 -9.732 1.00 71.45 91 A 1 ATOM 753 N N . ASP A 1 92 ? -2.564 -6.197 -14.441 1.00 72.89 92 A 1 ATOM 754 C CA . ASP A 1 92 ? -3.368 -6.418 -15.638 1.00 71.19 92 A 1 ATOM 755 C C . ASP A 1 92 ? -4.734 -7.034 -15.303 1.00 70.81 92 A 1 ATOM 756 O O . ASP A 1 92 ? -4.898 -7.832 -14.376 1.00 66.42 92 A 1 ATOM 757 C CB . ASP A 1 92 ? -2.615 -7.294 -16.652 1.00 67.01 92 A 1 ATOM 758 C CG . ASP A 1 92 ? -1.583 -6.509 -17.460 1.00 59.82 92 A 1 ATOM 759 O OD1 . ASP A 1 92 ? -1.899 -5.348 -17.811 1.00 55.46 92 A 1 ATOM 760 O OD2 . ASP A 1 92 ? -0.529 -7.102 -17.765 1.00 54.43 92 A 1 ATOM 761 N N . VAL A 1 93 ? -5.740 -6.634 -16.075 1.00 59.28 93 A 1 ATOM 762 C CA . VAL A 1 93 ? -7.123 -7.074 -15.874 1.00 59.34 93 A 1 ATOM 763 C C . VAL A 1 93 ? -7.218 -8.568 -16.169 1.00 60.22 93 A 1 ATOM 764 O O . VAL A 1 93 ? -7.268 -8.986 -17.322 1.00 56.87 93 A 1 ATOM 765 C CB . VAL A 1 93 ? -8.094 -6.253 -16.749 1.00 55.15 93 A 1 ATOM 766 C CG1 . VAL A 1 93 ? -9.550 -6.692 -16.551 1.00 49.38 93 A 1 ATOM 767 C CG2 . VAL A 1 93 ? -8.016 -4.756 -16.425 1.00 49.76 93 A 1 ATOM 768 N N . PHE A 1 94 ? -7.291 -9.384 -15.133 1.00 57.36 94 A 1 ATOM 769 C CA . PHE A 1 94 ? -7.543 -10.811 -15.273 1.00 58.07 94 A 1 ATOM 770 C C . PHE A 1 94 ? -9.060 -11.058 -15.261 1.00 58.33 94 A 1 ATOM 771 O O . PHE A 1 94 ? -9.737 -10.776 -14.271 1.00 55.65 94 A 1 ATOM 772 C CB . PHE A 1 94 ? -6.765 -11.589 -14.193 1.00 54.89 94 A 1 ATOM 773 C CG . PHE A 1 94 ? -6.162 -12.882 -14.711 1.00 51.22 94 A 1 ATOM 774 C CD1 . PHE A 1 94 ? -6.812 -14.113 -14.510 1.00 48.27 94 A 1 ATOM 775 C CD2 . PHE A 1 94 ? -4.936 -12.849 -15.405 1.00 47.33 94 A 1 ATOM 776 C CE1 . PHE A 1 94 ? -6.235 -15.303 -14.992 1.00 42.65 94 A 1 ATOM 777 C CE2 . PHE A 1 94 ? -4.362 -14.037 -15.889 1.00 43.44 94 A 1 ATOM 778 C CZ . PHE A 1 94 ? -5.008 -15.268 -15.681 1.00 41.43 94 A 1 ATOM 779 N N . TYR A 1 95 ? -9.614 -11.542 -16.379 1.00 55.51 95 A 1 ATOM 780 C CA . TYR A 1 95 ? -11.033 -11.934 -16.514 1.00 57.91 95 A 1 ATOM 781 C C . TYR A 1 95 ? -12.089 -10.877 -16.098 1.00 59.10 95 A 1 ATOM 782 O O . TYR A 1 95 ? -13.131 -11.212 -15.534 1.00 55.75 95 A 1 ATOM 783 C CB . TYR A 1 95 ? -11.266 -13.304 -15.853 1.00 55.22 95 A 1 ATOM 784 C CG . TYR A 1 95 ? -10.709 -14.467 -16.648 1.00 50.58 95 A 1 ATOM 785 C CD1 . TYR A 1 95 ? -11.496 -15.051 -17.665 1.00 49.63 95 A 1 ATOM 786 C CD2 . TYR A 1 95 ? -9.430 -14.977 -16.377 1.00 46.78 95 A 1 ATOM 787 C CE1 . TYR A 1 95 ? -11.005 -16.141 -18.400 1.00 42.37 95 A 1 ATOM 788 C CE2 . TYR A 1 95 ? -8.931 -16.067 -17.116 1.00 43.58 95 A 1 ATOM 789 C CZ . TYR A 1 95 ? -9.722 -16.653 -18.126 1.00 43.87 95 A 1 ATOM 790 O OH . TYR A 1 95 ? -9.246 -17.712 -18.840 1.00 40.60 95 A 1 ATOM 791 N N . GLY A 1 96 ? -11.865 -9.596 -16.399 1.00 59.06 96 A 1 ATOM 792 C CA . GLY A 1 96 ? -12.873 -8.541 -16.189 1.00 60.30 96 A 1 ATOM 793 C C . GLY A 1 96 ? -13.032 -8.064 -14.742 1.00 62.24 96 A 1 ATOM 794 O O . GLY A 1 96 ? -13.889 -7.222 -14.474 1.00 60.21 96 A 1 ATOM 795 N N . TYR A 1 97 ? -12.199 -8.532 -13.818 1.00 57.82 97 A 1 ATOM 796 C CA . TYR A 1 97 ? -12.120 -7.996 -12.458 1.00 60.16 97 A 1 ATOM 797 C C . TYR A 1 97 ? -10.985 -6.972 -12.357 1.00 61.02 97 A 1 ATOM 798 O O . TYR A 1 97 ? -9.841 -7.242 -12.709 1.00 58.48 97 A 1 ATOM 799 C CB . TYR A 1 97 ? -11.983 -9.132 -11.439 1.00 58.15 97 A 1 ATOM 800 C CG . TYR A 1 97 ? -13.221 -10.013 -11.369 1.00 54.85 97 A 1 ATOM 801 C CD1 . TYR A 1 97 ? -14.320 -9.624 -10.573 1.00 53.52 97 A 1 ATOM 802 C CD2 . TYR A 1 97 ? -13.293 -11.200 -12.125 1.00 51.29 97 A 1 ATOM 803 C CE1 . TYR A 1 97 ? -15.482 -10.421 -10.533 1.00 47.40 97 A 1 ATOM 804 C CE2 . TYR A 1 97 ? -14.457 -11.995 -12.092 1.00 48.86 97 A 1 ATOM 805 C CZ . TYR A 1 97 ? -15.552 -11.604 -11.295 1.00 47.19 97 A 1 ATOM 806 O OH . TYR A 1 97 ? -16.681 -12.367 -11.263 1.00 44.98 97 A 1 ATOM 807 N N . SER A 1 98 ? -11.311 -5.771 -11.866 1.00 58.63 98 A 1 ATOM 808 C CA . SER A 1 98 ? -10.308 -4.761 -11.529 1.00 59.36 98 A 1 ATOM 809 C C . SER A 1 98 ? -9.527 -5.247 -10.308 1.00 60.82 98 A 1 ATOM 810 O O . SER A 1 98 ? -10.011 -5.152 -9.178 1.00 58.91 98 A 1 ATOM 811 C CB . SER A 1 98 ? -10.982 -3.413 -11.269 1.00 56.12 98 A 1 ATOM 812 O OG . SER A 1 98 ? -10.036 -2.419 -10.933 1.00 50.20 98 A 1 ATOM 813 N N . LEU A 1 99 ? -8.345 -5.797 -10.550 1.00 61.45 99 A 1 ATOM 814 C CA . LEU A 1 99 ? -7.419 -6.119 -9.473 1.00 62.31 99 A 1 ATOM 815 C C . LEU A 1 99 ? -6.926 -4.819 -8.818 1.00 65.69 99 A 1 ATOM 816 O O . LEU A 1 99 ? -6.760 -3.805 -9.503 1.00 62.73 99 A 1 ATOM 817 C CB . LEU A 1 99 ? -6.274 -6.996 -10.007 1.00 57.11 99 A 1 ATOM 818 C CG . LEU A 1 99 ? -6.714 -8.423 -10.397 1.00 52.23 99 A 1 ATOM 819 C CD1 . LEU A 1 99 ? -5.592 -9.135 -11.144 1.00 49.26 99 A 1 ATOM 820 C CD2 . LEU A 1 99 ? -7.084 -9.274 -9.180 1.00 48.66 99 A 1 ATOM 821 N N . PRO A 1 100 ? -6.741 -4.798 -7.490 1.00 72.85 100 A 1 ATOM 822 C CA . PRO A 1 100 ? -6.157 -3.653 -6.809 1.00 73.25 100 A 1 ATOM 823 C C . PRO A 1 100 ? -4.719 -3.422 -7.289 1.00 76.86 100 A 1 ATOM 824 O O . PRO A 1 100 ? -4.047 -4.339 -7.753 1.00 75.06 100 A 1 ATOM 825 C CB . PRO A 1 100 ? -6.244 -3.977 -5.315 1.00 68.44 100 A 1 ATOM 826 C CG . PRO A 1 100 ? -6.275 -5.499 -5.289 1.00 64.76 100 A 1 ATOM 827 C CD . PRO A 1 100 ? -6.976 -5.890 -6.572 1.00 66.63 100 A 1 ATOM 828 N N . TYR A 1 101 ? -4.256 -2.180 -7.158 1.00 81.48 101 A 1 ATOM 829 C CA . TYR A 1 101 ? -2.860 -1.843 -7.424 1.00 84.12 101 A 1 ATOM 830 C C . TYR A 1 101 ? -1.943 -2.648 -6.497 1.00 86.25 101 A 1 ATOM 831 O O . TYR A 1 101 ? -2.224 -2.761 -5.301 1.00 85.91 101 A 1 ATOM 832 C CB . TYR A 1 101 ? -2.628 -0.342 -7.215 1.00 82.84 101 A 1 ATOM 833 C CG . TYR A 1 101 ? -3.245 0.561 -8.263 1.00 80.78 101 A 1 ATOM 834 C CD1 . TYR A 1 101 ? -2.446 1.040 -9.321 1.00 77.89 101 A 1 ATOM 835 C CD2 . TYR A 1 101 ? -4.595 0.957 -8.172 1.00 77.37 101 A 1 ATOM 836 C CE1 . TYR A 1 101 ? -2.988 1.920 -10.275 1.00 73.41 101 A 1 ATOM 837 C CE2 . TYR A 1 101 ? -5.142 1.833 -9.131 1.00 73.89 101 A 1 ATOM 838 C CZ . TYR A 1 101 ? -4.333 2.324 -10.179 1.00 74.43 101 A 1 ATOM 839 O OH . TYR A 1 101 ? -4.848 3.196 -11.087 1.00 71.91 101 A 1 ATOM 840 N N . LYS A 1 102 ? -0.828 -3.144 -7.048 1.00 89.51 102 A 1 ATOM 841 C CA . LYS A 1 102 ? 0.331 -3.477 -6.231 1.00 91.06 102 A 1 ATOM 842 C C . LYS A 1 102 ? 0.944 -2.165 -5.764 1.00 92.87 102 A 1 ATOM 843 O O . LYS A 1 102 ? 1.188 -1.282 -6.585 1.00 92.90 102 A 1 ATOM 844 C CB . LYS A 1 102 ? 1.352 -4.279 -7.034 1.00 89.92 102 A 1 ATOM 845 C CG . LYS A 1 102 ? 0.884 -5.698 -7.383 1.00 87.73 102 A 1 ATOM 846 C CD . LYS A 1 102 ? 2.045 -6.402 -8.089 1.00 85.80 102 A 1 ATOM 847 C CE . LYS A 1 102 ? 1.770 -7.860 -8.426 1.00 81.96 102 A 1 ATOM 848 N NZ . LYS A 1 102 ? 3.025 -8.474 -8.939 1.00 76.63 102 A 1 ATOM 849 N N . THR A 1 103 ? 1.147 -2.022 -4.458 1.00 93.47 103 A 1 ATOM 850 C CA . THR A 1 103 ? 1.773 -0.839 -3.864 1.00 94.64 103 A 1 ATOM 851 C C . THR A 1 103 ? 3.074 -1.268 -3.214 1.00 95.44 103 A 1 ATOM 852 O O . THR A 1 103 ? 3.049 -2.070 -2.284 1.00 95.28 103 A 1 ATOM 853 C CB . THR A 1 103 ? 0.846 -0.163 -2.845 1.00 94.53 103 A 1 ATOM 854 O OG1 . THR A 1 103 ? -0.397 0.145 -3.444 1.00 92.75 103 A 1 ATOM 855 C CG2 . THR A 1 103 ? 1.432 1.142 -2.307 1.00 92.64 103 A 1 ATOM 856 N N . TYR A 1 104 ? 4.185 -0.735 -3.698 1.00 95.21 104 A 1 ATOM 857 C CA . TYR A 1 104 ? 5.515 -0.935 -3.135 1.00 95.35 104 A 1 ATOM 858 C C . TYR A 1 104 ? 5.831 0.233 -2.211 1.00 95.73 104 A 1 ATOM 859 O O . TYR A 1 104 ? 5.388 1.356 -2.457 1.00 95.95 104 A 1 ATOM 860 C CB . TYR A 1 104 ? 6.536 -1.078 -4.263 1.00 95.03 104 A 1 ATOM 861 C CG . TYR A 1 104 ? 6.211 -2.212 -5.220 1.00 94.68 104 A 1 ATOM 862 C CD1 . TYR A 1 104 ? 6.708 -3.506 -4.983 1.00 93.64 104 A 1 ATOM 863 C CD2 . TYR A 1 104 ? 5.391 -1.973 -6.340 1.00 94.35 104 A 1 ATOM 864 C CE1 . TYR A 1 104 ? 6.406 -4.556 -5.872 1.00 93.17 104 A 1 ATOM 865 C CE2 . TYR A 1 104 ? 5.085 -3.023 -7.228 1.00 93.41 104 A 1 ATOM 866 C CZ . TYR A 1 104 ? 5.599 -4.313 -6.997 1.00 93.30 104 A 1 ATOM 867 O OH . TYR A 1 104 ? 5.324 -5.315 -7.872 1.00 91.34 104 A 1 ATOM 868 N N . ILE A 1 105 ? 6.541 -0.028 -1.116 1.00 96.34 105 A 1 ATOM 869 C CA . ILE A 1 105 ? 6.900 0.995 -0.128 1.00 95.95 105 A 1 ATOM 870 C C . ILE A 1 105 ? 8.398 1.248 -0.233 1.00 95.79 105 A 1 ATOM 871 O O . ILE A 1 105 ? 9.188 0.328 -0.033 1.00 95.05 105 A 1 ATOM 872 C CB . ILE A 1 105 ? 6.488 0.579 1.298 1.00 95.46 105 A 1 ATOM 873 C CG1 . ILE A 1 105 ? 5.015 0.116 1.403 1.00 93.16 105 A 1 ATOM 874 C CG2 . ILE A 1 105 ? 6.758 1.719 2.289 1.00 93.15 105 A 1 ATOM 875 C CD1 . ILE A 1 105 ? 3.970 1.140 0.940 1.00 86.63 105 A 1 ATOM 876 N N . ASN A 1 106 ? 8.763 2.498 -0.505 1.00 96.17 106 A 1 ATOM 877 C CA . ASN A 1 106 ? 10.153 2.920 -0.576 1.00 95.13 106 A 1 ATOM 878 C C . ASN A 1 106 ? 10.643 3.327 0.817 1.00 94.25 106 A 1 ATOM 879 O O . ASN A 1 106 ? 9.926 3.964 1.599 1.00 92.48 106 A 1 ATOM 880 C CB . ASN A 1 106 ? 10.292 4.019 -1.643 1.00 94.73 106 A 1 ATOM 881 C CG . ASN A 1 106 ? 9.966 3.517 -3.045 1.00 93.33 106 A 1 ATOM 882 O OD1 . ASN A 1 106 ? 10.037 2.331 -3.329 1.00 88.12 106 A 1 ATOM 883 N ND2 . ASN A 1 106 ? 9.606 4.389 -3.954 1.00 87.86 106 A 1 ATOM 884 N N . GLU A 1 107 ? 11.864 2.920 1.165 1.00 92.15 107 A 1 ATOM 885 C CA . GLU A 1 107 ? 12.502 3.316 2.423 1.00 90.19 107 A 1 ATOM 886 C C . GLU A 1 107 ? 13.124 4.716 2.306 1.00 90.02 107 A 1 ATOM 887 O O . GLU A 1 107 ? 13.530 5.144 1.233 1.00 84.91 107 A 1 ATOM 888 C CB . GLU A 1 107 ? 13.520 2.276 2.896 1.00 85.97 107 A 1 ATOM 889 C CG . GLU A 1 107 ? 12.874 0.902 3.150 1.00 77.85 107 A 1 ATOM 890 C CD . GLU A 1 107 ? 13.678 0.048 4.135 1.00 73.27 107 A 1 ATOM 891 O OE1 . GLU A 1 107 ? 13.014 -0.530 5.032 1.00 67.29 107 A 1 ATOM 892 O OE2 . GLU A 1 107 ? 14.925 0.048 4.070 1.00 66.34 107 A 1 ATOM 893 N N . VAL A 1 108 ? 13.177 5.427 3.426 1.00 93.40 108 A 1 ATOM 894 C CA . VAL A 1 108 ? 13.778 6.761 3.587 1.00 92.27 108 A 1 ATOM 895 C C . VAL A 1 108 ? 14.834 6.762 4.678 1.00 88.10 108 A 1 ATOM 896 O O . VAL A 1 108 ? 14.716 5.956 5.621 1.00 79.18 108 A 1 ATOM 897 C CB . VAL A 1 108 ? 12.732 7.848 3.869 1.00 90.27 108 A 1 ATOM 898 C CG1 . VAL A 1 108 ? 11.813 8.051 2.670 1.00 83.74 108 A 1 ATOM 899 C CG2 . VAL A 1 108 ? 11.875 7.548 5.106 1.00 83.45 108 A 1 ATOM 900 O OXT . VAL A 1 108 ? 15.738 7.618 4.556 1.00 85.86 108 A 1 #