# 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_acriia17 # _entry.id acriia17 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "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 ALA 2 1 n ILE 3 1 n LEU 4 1 n ASN 5 1 n ASN 6 1 n LYS 7 1 n GLY 8 1 n GLU 9 1 n LYS 10 1 n ILE 11 1 n SER 12 1 n ILE 13 1 n ASP 14 1 n CYS 15 1 n ALA 16 1 n ASP 17 1 n LEU 18 1 n ILE 19 1 n SER 20 1 n GLU 21 1 n VAL 22 1 n GLU 23 1 n GLU 24 1 n ASP 25 1 n ILE 26 1 n LEU 27 1 n ILE 28 1 n PHE 29 1 n GLY 30 1 n GLY 31 1 n THR 32 1 n PHE 33 1 n LEU 34 1 n VAL 35 1 n TYR 36 1 n ALA 37 1 n ILE 38 1 n CYS 39 1 n SER 40 1 n TRP 41 1 n ARG 42 1 n GLU 43 1 n ILE 44 1 n GLU 45 1 n GLN 46 1 n VAL 47 1 n GLU 48 1 n TYR 49 1 n ILE 50 1 n SER 51 1 n ASP 52 1 n TYR 53 1 n VAL 54 1 n HIS 55 1 n ALA 56 1 n ASP 57 1 n ASN 58 1 n PRO 59 1 n GLU 60 1 n SER 61 1 n TYR 62 1 n LYS 63 1 n ASP 64 1 n GLU 65 1 n LEU 66 1 n THR 67 1 n THR 68 1 n LYS 69 1 n GLU 70 1 n TYR 71 1 n ALA 72 1 n GLU 73 1 n LEU 74 1 n LYS 75 1 n GLU 76 1 n ILE 77 1 n TYR 78 1 n GLU 79 1 n LYS 80 1 n ASP 81 1 n LEU 82 1 n GLU 83 1 n GLU 84 1 n LEU 85 1 n LYS 86 1 n ILE 87 1 n THR 88 1 n LYS 89 1 n ASN 90 1 n LYS 91 1 n GLN 92 1 n MET 93 1 n ASN 94 1 n LEU 95 1 n ASN 96 1 n GLU 97 1 n LEU 98 1 n LEU 99 1 n SER 100 1 n ILE 101 1 n LEU 102 1 n THR 103 1 n ILE 104 1 n GLN 105 1 n ASN 106 1 n SER 107 1 n ILE 108 1 n THR 109 # _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 19:47:14)" _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 89.71 _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 52.57 1 1 A ALA 2 2 72.67 1 2 A ILE 3 2 77.30 1 3 A LEU 4 2 77.97 1 4 A ASN 5 2 81.52 1 5 A ASN 6 2 77.30 1 6 A LYS 7 2 75.77 1 7 A GLY 8 2 82.33 1 8 A GLU 9 2 76.90 1 9 A LYS 10 2 76.73 1 10 A ILE 11 2 79.34 1 11 A SER 12 2 85.42 1 12 A ILE 13 2 86.49 1 13 A ASP 14 2 88.85 1 14 A CYS 15 2 93.79 1 15 A ALA 16 2 95.32 1 16 A ASP 17 2 94.00 1 17 A LEU 18 2 95.84 1 18 A ILE 19 2 96.71 1 19 A SER 20 2 95.36 1 20 A GLU 21 2 91.23 1 21 A VAL 22 2 97.69 1 22 A GLU 23 2 96.05 1 23 A GLU 24 2 90.86 1 24 A ASP 25 2 94.88 1 25 A ILE 26 2 96.91 1 26 A LEU 27 2 94.58 1 27 A ILE 28 2 93.00 1 28 A PHE 29 2 91.33 1 29 A GLY 30 2 96.02 1 30 A GLY 31 2 97.22 1 31 A THR 32 2 95.09 1 32 A PHE 33 2 94.28 1 33 A LEU 34 2 94.26 1 34 A VAL 35 2 96.66 1 35 A TYR 36 2 94.62 1 36 A ALA 37 2 97.37 1 37 A ILE 38 2 95.61 1 38 A CYS 39 2 94.90 1 39 A SER 40 2 93.73 1 40 A TRP 41 2 88.47 1 41 A ARG 42 2 81.95 1 42 A GLU 43 2 82.29 1 43 A ILE 44 2 83.66 1 44 A GLU 45 2 82.32 1 45 A GLN 46 2 84.14 1 46 A VAL 47 2 90.34 1 47 A GLU 48 2 89.54 1 48 A TYR 49 2 93.99 1 49 A ILE 50 2 96.06 1 50 A SER 51 2 95.83 1 51 A ASP 52 2 94.50 1 52 A TYR 53 2 97.11 1 53 A VAL 54 2 94.89 1 54 A HIS 55 2 90.22 1 55 A ALA 56 2 93.79 1 56 A ASP 57 2 82.28 1 57 A ASN 58 2 91.21 1 58 A PRO 59 2 91.77 1 59 A GLU 60 2 85.70 1 60 A SER 61 2 87.48 1 61 A TYR 62 2 86.40 1 62 A LYS 63 2 87.70 1 63 A ASP 64 2 92.01 1 64 A GLU 65 2 88.14 1 65 A LEU 66 2 91.48 1 66 A THR 67 2 95.12 1 67 A THR 68 2 94.55 1 68 A LYS 69 2 90.98 1 69 A GLU 70 2 91.57 1 70 A TYR 71 2 93.61 1 71 A ALA 72 2 96.30 1 72 A GLU 73 2 90.74 1 73 A LEU 74 2 92.04 1 74 A LYS 75 2 91.60 1 75 A GLU 76 2 89.75 1 76 A ILE 77 2 93.23 1 77 A TYR 78 2 92.89 1 78 A GLU 79 2 92.75 1 79 A LYS 80 2 87.28 1 80 A ASP 81 2 92.86 1 81 A LEU 82 2 91.17 1 82 A GLU 83 2 89.18 1 83 A GLU 84 2 84.39 1 84 A LEU 85 2 93.77 1 85 A LYS 86 2 92.21 1 86 A ILE 87 2 92.38 1 87 A THR 88 2 91.94 1 88 A LYS 89 2 90.70 1 89 A ASN 90 2 94.74 1 90 A LYS 91 2 87.52 1 91 A GLN 92 2 92.61 1 92 A MET 93 2 96.44 1 93 A ASN 94 2 96.81 1 94 A LEU 95 2 97.06 1 95 A ASN 96 2 96.39 1 96 A GLU 97 2 93.28 1 97 A LEU 98 2 97.66 1 98 A LEU 99 2 97.23 1 99 A SER 100 2 94.40 1 100 A ILE 101 2 95.00 1 101 A LEU 102 2 96.20 1 102 A THR 103 2 94.04 1 103 A ILE 104 2 91.65 1 104 A GLN 105 2 92.12 1 105 A ASN 106 2 89.70 1 106 A SER 107 2 81.83 1 107 A ILE 108 2 60.94 1 108 A THR 109 2 52.10 1 109 # _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 ALA . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n ASN . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n GLU . 9 A 9 A 10 1 n LYS . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n ASP . 14 A 14 A 15 1 n CYS . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n ASP . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n GLU . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n GLU . 23 A 23 A 24 1 n GLU . 24 A 24 A 25 1 n ASP . 25 A 25 A 26 1 n ILE . 26 A 26 A 27 1 n LEU . 27 A 27 A 28 1 n ILE . 28 A 28 A 29 1 n PHE . 29 A 29 A 30 1 n GLY . 30 A 30 A 31 1 n GLY . 31 A 31 A 32 1 n THR . 32 A 32 A 33 1 n PHE . 33 A 33 A 34 1 n LEU . 34 A 34 A 35 1 n VAL . 35 A 35 A 36 1 n TYR . 36 A 36 A 37 1 n ALA . 37 A 37 A 38 1 n ILE . 38 A 38 A 39 1 n CYS . 39 A 39 A 40 1 n SER . 40 A 40 A 41 1 n TRP . 41 A 41 A 42 1 n ARG . 42 A 42 A 43 1 n GLU . 43 A 43 A 44 1 n ILE . 44 A 44 A 45 1 n GLU . 45 A 45 A 46 1 n GLN . 46 A 46 A 47 1 n VAL . 47 A 47 A 48 1 n GLU . 48 A 48 A 49 1 n TYR . 49 A 49 A 50 1 n ILE . 50 A 50 A 51 1 n SER . 51 A 51 A 52 1 n ASP . 52 A 52 A 53 1 n TYR . 53 A 53 A 54 1 n VAL . 54 A 54 A 55 1 n HIS . 55 A 55 A 56 1 n ALA . 56 A 56 A 57 1 n ASP . 57 A 57 A 58 1 n ASN . 58 A 58 A 59 1 n PRO . 59 A 59 A 60 1 n GLU . 60 A 60 A 61 1 n SER . 61 A 61 A 62 1 n TYR . 62 A 62 A 63 1 n LYS . 63 A 63 A 64 1 n ASP . 64 A 64 A 65 1 n GLU . 65 A 65 A 66 1 n LEU . 66 A 66 A 67 1 n THR . 67 A 67 A 68 1 n THR . 68 A 68 A 69 1 n LYS . 69 A 69 A 70 1 n GLU . 70 A 70 A 71 1 n TYR . 71 A 71 A 72 1 n ALA . 72 A 72 A 73 1 n GLU . 73 A 73 A 74 1 n LEU . 74 A 74 A 75 1 n LYS . 75 A 75 A 76 1 n GLU . 76 A 76 A 77 1 n ILE . 77 A 77 A 78 1 n TYR . 78 A 78 A 79 1 n GLU . 79 A 79 A 80 1 n LYS . 80 A 80 A 81 1 n ASP . 81 A 81 A 82 1 n LEU . 82 A 82 A 83 1 n GLU . 83 A 83 A 84 1 n GLU . 84 A 84 A 85 1 n LEU . 85 A 85 A 86 1 n LYS . 86 A 86 A 87 1 n ILE . 87 A 87 A 88 1 n THR . 88 A 88 A 89 1 n LYS . 89 A 89 A 90 1 n ASN . 90 A 90 A 91 1 n LYS . 91 A 91 A 92 1 n GLN . 92 A 92 A 93 1 n MET . 93 A 93 A 94 1 n ASN . 94 A 94 A 95 1 n LEU . 95 A 95 A 96 1 n ASN . 96 A 96 A 97 1 n GLU . 97 A 97 A 98 1 n LEU . 98 A 98 A 99 1 n LEU . 99 A 99 A 100 1 n SER . 100 A 100 A 101 1 n ILE . 101 A 101 A 102 1 n LEU . 102 A 102 A 103 1 n THR . 103 A 103 A 104 1 n ILE . 104 A 104 A 105 1 n GLN . 105 A 105 A 106 1 n ASN . 106 A 106 A 107 1 n SER . 107 A 107 A 108 1 n ILE . 108 A 108 A 109 1 n THR . 109 A 109 # _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 ? -1.256 0.185 -18.700 1.00 50.20 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.007 -0.421 -18.168 1.00 57.56 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.415 -1.452 -17.138 1.00 59.19 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.432 -1.226 -16.503 1.00 56.79 1 A 1 ATOM 5 C CB . MET A 1 1 ? 0.926 0.642 -17.571 1.00 56.19 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.774 1.307 -18.652 1.00 50.79 1 A 1 ATOM 7 S SD . MET A 1 1 ? 2.925 2.563 -18.032 1.00 47.72 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.917 4.057 -18.197 1.00 42.13 1 A 1 ATOM 9 N N . ALA A 1 2 ? 0.310 -2.562 -17.016 1.00 68.49 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 0.029 -3.644 -16.072 1.00 74.38 2 A 1 ATOM 11 C C . ALA A 1 2 ? 1.253 -3.888 -15.186 1.00 76.89 2 A 1 ATOM 12 O O . ALA A 1 2 ? 2.371 -3.533 -15.584 1.00 74.28 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -0.331 -4.899 -16.867 1.00 69.29 2 A 1 ATOM 14 N N . ILE A 1 3 ? 1.070 -4.506 -14.014 1.00 77.23 3 A 1 ATOM 15 C CA . ILE A 1 3 ? 2.195 -4.987 -13.202 1.00 79.79 3 A 1 ATOM 16 C C . ILE A 1 3 ? 2.871 -6.167 -13.913 1.00 79.90 3 A 1 ATOM 17 O O . ILE A 1 3 ? 2.228 -6.921 -14.645 1.00 80.83 3 A 1 ATOM 18 C CB . ILE A 1 3 ? 1.782 -5.314 -11.749 1.00 80.20 3 A 1 ATOM 19 C CG1 . ILE A 1 3 ? 0.726 -6.431 -11.668 1.00 75.53 3 A 1 ATOM 20 C CG2 . ILE A 1 3 ? 1.311 -4.028 -11.047 1.00 72.12 3 A 1 ATOM 21 C CD1 . ILE A 1 3 ? 0.421 -6.881 -10.234 1.00 72.77 3 A 1 ATOM 22 N N . LEU A 1 4 ? 4.187 -6.305 -13.710 1.00 78.43 4 A 1 ATOM 23 C CA . LEU A 1 4 ? 4.966 -7.401 -14.282 1.00 80.58 4 A 1 ATOM 24 C C . LEU A 1 4 ? 5.332 -8.400 -13.188 1.00 80.14 4 A 1 ATOM 25 O O . LEU A 1 4 ? 5.782 -8.008 -12.113 1.00 79.65 4 A 1 ATOM 26 C CB . LEU A 1 4 ? 6.222 -6.866 -14.988 1.00 80.34 4 A 1 ATOM 27 C CG . LEU A 1 4 ? 5.952 -5.928 -16.179 1.00 76.38 4 A 1 ATOM 28 C CD1 . LEU A 1 4 ? 7.281 -5.436 -16.754 1.00 73.38 4 A 1 ATOM 29 C CD2 . LEU A 1 4 ? 5.167 -6.600 -17.301 1.00 74.87 4 A 1 ATOM 30 N N . ASN A 1 5 ? 5.186 -9.689 -13.474 1.00 84.23 5 A 1 ATOM 31 C CA . ASN A 1 5 ? 5.701 -10.738 -12.603 1.00 83.55 5 A 1 ATOM 32 C C . ASN A 1 5 ? 7.215 -10.952 -12.800 1.00 82.84 5 A 1 ATOM 33 O O . ASN A 1 5 ? 7.852 -10.351 -13.672 1.00 82.46 5 A 1 ATOM 34 C CB . ASN A 1 5 ? 4.850 -12.006 -12.778 1.00 81.82 5 A 1 ATOM 35 C CG . ASN A 1 5 ? 5.100 -12.804 -14.040 1.00 81.78 5 A 1 ATOM 36 O OD1 . ASN A 1 5 ? 5.955 -12.520 -14.860 1.00 76.66 5 A 1 ATOM 37 N ND2 . ASN A 1 5 ? 4.365 -13.882 -14.198 1.00 78.84 5 A 1 ATOM 38 N N . ASN A 1 6 ? 7.808 -11.867 -12.019 1.00 82.13 6 A 1 ATOM 39 C CA . ASN A 1 6 ? 9.238 -12.195 -12.104 1.00 82.35 6 A 1 ATOM 40 C C . ASN A 1 6 ? 9.685 -12.746 -13.473 1.00 82.45 6 A 1 ATOM 41 O O . ASN A 1 6 ? 10.882 -12.807 -13.749 1.00 79.66 6 A 1 ATOM 42 C CB . ASN A 1 6 ? 9.581 -13.200 -10.991 1.00 80.08 6 A 1 ATOM 43 C CG . ASN A 1 6 ? 9.610 -12.593 -9.603 1.00 74.02 6 A 1 ATOM 44 O OD1 . ASN A 1 6 ? 9.459 -11.404 -9.394 1.00 68.86 6 A 1 ATOM 45 N ND2 . ASN A 1 6 ? 9.835 -13.408 -8.599 1.00 68.86 6 A 1 ATOM 46 N N . LYS A 1 7 ? 8.750 -13.142 -14.334 1.00 80.67 7 A 1 ATOM 47 C CA . LYS A 1 7 ? 9.008 -13.628 -15.699 1.00 80.59 7 A 1 ATOM 48 C C . LYS A 1 7 ? 8.834 -12.537 -16.763 1.00 81.43 7 A 1 ATOM 49 O O . LYS A 1 7 ? 9.063 -12.796 -17.938 1.00 78.55 7 A 1 ATOM 50 C CB . LYS A 1 7 ? 8.110 -14.837 -15.997 1.00 79.30 7 A 1 ATOM 51 C CG . LYS A 1 7 ? 8.303 -15.993 -15.006 1.00 77.86 7 A 1 ATOM 52 C CD . LYS A 1 7 ? 7.260 -17.074 -15.290 1.00 73.18 7 A 1 ATOM 53 C CE . LYS A 1 7 ? 7.336 -18.174 -14.231 1.00 69.43 7 A 1 ATOM 54 N NZ . LYS A 1 7 ? 6.133 -19.032 -14.298 1.00 60.89 7 A 1 ATOM 55 N N . GLY A 1 8 ? 8.448 -11.319 -16.358 1.00 81.58 8 A 1 ATOM 56 C CA . GLY A 1 8 ? 8.157 -10.212 -17.273 1.00 82.44 8 A 1 ATOM 57 C C . GLY A 1 8 ? 6.779 -10.293 -17.936 1.00 84.02 8 A 1 ATOM 58 O O . GLY A 1 8 ? 6.533 -9.586 -18.914 1.00 81.30 8 A 1 ATOM 59 N N . GLU A 1 9 ? 5.886 -11.137 -17.432 1.00 78.02 9 A 1 ATOM 60 C CA . GLU A 1 9 ? 4.519 -11.273 -17.938 1.00 80.36 9 A 1 ATOM 61 C C . GLU A 1 9 ? 3.606 -10.232 -17.281 1.00 80.15 9 A 1 ATOM 62 O O . GLU A 1 9 ? 3.744 -9.926 -16.093 1.00 79.13 9 A 1 ATOM 63 C CB . GLU A 1 9 ? 3.980 -12.693 -17.693 1.00 79.82 9 A 1 ATOM 64 C CG . GLU A 1 9 ? 4.861 -13.792 -18.301 1.00 77.34 9 A 1 ATOM 65 C CD . GLU A 1 9 ? 4.489 -15.203 -17.828 1.00 75.69 9 A 1 ATOM 66 O OE1 . GLU A 1 9 ? 4.578 -16.134 -18.655 1.00 68.91 9 A 1 ATOM 67 O OE2 . GLU A 1 9 ? 4.218 -15.373 -16.616 1.00 72.66 9 A 1 ATOM 68 N N . LYS A 1 10 ? 2.673 -9.684 -18.054 1.00 81.07 10 A 1 ATOM 69 C CA . LYS A 1 10 ? 1.666 -8.742 -17.560 1.00 81.97 10 A 1 ATOM 70 C C . LYS A 1 10 ? 0.630 -9.478 -16.713 1.00 83.00 10 A 1 ATOM 71 O O . LYS A 1 10 ? -0.027 -10.390 -17.210 1.00 82.01 10 A 1 ATOM 72 C CB . LYS A 1 10 ? 0.976 -8.040 -18.733 1.00 80.05 10 A 1 ATOM 73 C CG . LYS A 1 10 ? 1.866 -7.022 -19.454 1.00 77.67 10 A 1 ATOM 74 C CD . LYS A 1 10 ? 1.027 -6.354 -20.546 1.00 74.06 10 A 1 ATOM 75 C CE . LYS A 1 10 ? 1.725 -5.176 -21.214 1.00 69.30 10 A 1 ATOM 76 N NZ . LYS A 1 10 ? 0.741 -4.407 -22.025 1.00 61.46 10 A 1 ATOM 77 N N . ILE A 1 11 ? 0.462 -9.034 -15.477 1.00 83.41 11 A 1 ATOM 78 C CA . ILE A 1 11 ? -0.510 -9.578 -14.532 1.00 83.42 11 A 1 ATOM 79 C C . ILE A 1 11 ? -1.453 -8.457 -14.097 1.00 83.48 11 A 1 ATOM 80 O O . ILE A 1 11 ? -1.019 -7.336 -13.827 1.00 81.15 11 A 1 ATOM 81 C CB . ILE A 1 11 ? 0.208 -10.230 -13.330 1.00 81.75 11 A 1 ATOM 82 C CG1 . ILE A 1 11 ? 1.208 -11.337 -13.742 1.00 76.14 11 A 1 ATOM 83 C CG2 . ILE A 1 11 ? -0.793 -10.788 -12.311 1.00 75.63 11 A 1 ATOM 84 C CD1 . ILE A 1 11 ? 0.601 -12.544 -14.474 1.00 69.75 11 A 1 ATOM 85 N N . SER A 1 12 ? -2.736 -8.775 -14.019 1.00 87.14 12 A 1 ATOM 86 C CA . SER A 1 12 ? -3.757 -7.946 -13.378 1.00 87.30 12 A 1 ATOM 87 C C . SER A 1 12 ? -4.206 -8.618 -12.089 1.00 87.21 12 A 1 ATOM 88 O O . SER A 1 12 ? -4.400 -9.835 -12.058 1.00 87.33 12 A 1 ATOM 89 C CB . SER A 1 12 ? -4.938 -7.737 -14.314 1.00 85.51 12 A 1 ATOM 90 O OG . SER A 1 12 ? -6.000 -7.060 -13.690 1.00 78.04 12 A 1 ATOM 91 N N . ILE A 1 13 ? -4.347 -7.824 -11.042 1.00 86.97 13 A 1 ATOM 92 C CA . ILE A 1 13 ? -4.923 -8.250 -9.770 1.00 88.48 13 A 1 ATOM 93 C C . ILE A 1 13 ? -6.070 -7.302 -9.473 1.00 89.71 13 A 1 ATOM 94 O O . ILE A 1 13 ? -5.846 -6.102 -9.328 1.00 88.78 13 A 1 ATOM 95 C CB . ILE A 1 13 ? -3.862 -8.267 -8.653 1.00 88.00 13 A 1 ATOM 96 C CG1 . ILE A 1 13 ? -2.779 -9.309 -9.014 1.00 85.96 13 A 1 ATOM 97 C CG2 . ILE A 1 13 ? -4.520 -8.581 -7.296 1.00 85.62 13 A 1 ATOM 98 C CD1 . ILE A 1 13 ? -1.631 -9.390 -8.014 1.00 78.39 13 A 1 ATOM 99 N N . ASP A 1 14 ? -7.273 -7.859 -9.418 1.00 90.03 14 A 1 ATOM 100 C CA . ASP A 1 14 ? -8.478 -7.110 -9.090 1.00 91.15 14 A 1 ATOM 101 C C . ASP A 1 14 ? -8.336 -6.473 -7.704 1.00 91.72 14 A 1 ATOM 102 O O . ASP A 1 14 ? -8.071 -7.159 -6.713 1.00 90.99 14 A 1 ATOM 103 C CB . ASP A 1 14 ? -9.697 -8.037 -9.177 1.00 90.07 14 A 1 ATOM 104 C CG . ASP A 1 14 ? -11.036 -7.303 -9.033 1.00 88.64 14 A 1 ATOM 105 O OD1 . ASP A 1 14 ? -11.018 -6.071 -8.835 1.00 84.88 14 A 1 ATOM 106 O OD2 . ASP A 1 14 ? -12.064 -8.002 -9.165 1.00 83.35 14 A 1 ATOM 107 N N . CYS A 1 15 ? -8.439 -5.156 -7.678 1.00 92.65 15 A 1 ATOM 108 C CA . CYS A 1 15 ? -8.398 -4.319 -6.490 1.00 94.12 15 A 1 ATOM 109 C C . CYS A 1 15 ? -9.369 -3.136 -6.616 1.00 95.46 15 A 1 ATOM 110 O O . CYS A 1 15 ? -9.091 -2.051 -6.118 1.00 95.49 15 A 1 ATOM 111 C CB . CYS A 1 15 ? -6.945 -3.910 -6.188 1.00 92.92 15 A 1 ATOM 112 S SG . CYS A 1 15 ? -6.164 -3.029 -7.567 1.00 92.10 15 A 1 ATOM 113 N N . ALA A 1 16 ? -10.500 -3.331 -7.307 1.00 94.89 16 A 1 ATOM 114 C CA . ALA A 1 16 ? -11.488 -2.279 -7.544 1.00 95.22 16 A 1 ATOM 115 C C . ALA A 1 16 ? -12.070 -1.701 -6.243 1.00 96.10 16 A 1 ATOM 116 O O . ALA A 1 16 ? -12.259 -0.487 -6.153 1.00 96.11 16 A 1 ATOM 117 C CB . ALA A 1 16 ? -12.592 -2.846 -8.443 1.00 94.28 16 A 1 ATOM 118 N N . ASP A 1 17 ? -12.281 -2.547 -5.238 1.00 96.04 17 A 1 ATOM 119 C CA . ASP A 1 17 ? -12.760 -2.115 -3.918 1.00 96.43 17 A 1 ATOM 120 C C . ASP A 1 17 ? -11.719 -1.210 -3.243 1.00 97.15 17 A 1 ATOM 121 O O . ASP A 1 17 ? -12.031 -0.087 -2.850 1.00 96.78 17 A 1 ATOM 122 C CB . ASP A 1 17 ? -13.106 -3.342 -3.057 1.00 95.69 17 A 1 ATOM 123 C CG . ASP A 1 17 ? -14.267 -4.192 -3.603 1.00 91.79 17 A 1 ATOM 124 O OD1 . ASP A 1 17 ? -15.085 -3.669 -4.400 1.00 89.44 17 A 1 ATOM 125 O OD2 . ASP A 1 17 ? -14.324 -5.391 -3.246 1.00 88.71 17 A 1 ATOM 126 N N . LEU A 1 18 ? -10.447 -1.623 -3.235 1.00 96.49 18 A 1 ATOM 127 C CA . LEU A 1 18 ? -9.343 -0.846 -2.661 1.00 97.23 18 A 1 ATOM 128 C C . LEU A 1 18 ? -9.114 0.487 -3.397 1.00 97.87 18 A 1 ATOM 129 O O . LEU A 1 18 ? -8.780 1.492 -2.777 1.00 97.74 18 A 1 ATOM 130 C CB . LEU A 1 18 ? -8.083 -1.730 -2.679 1.00 96.87 18 A 1 ATOM 131 C CG . LEU A 1 18 ? -6.907 -1.177 -1.854 1.00 94.26 18 A 1 ATOM 132 C CD1 . LEU A 1 18 ? -7.240 -1.129 -0.366 1.00 92.80 18 A 1 ATOM 133 C CD2 . LEU A 1 18 ? -5.689 -2.091 -2.029 1.00 93.45 18 A 1 ATOM 134 N N . ILE A 1 19 ? -9.304 0.520 -4.716 1.00 97.33 19 A 1 ATOM 135 C CA . ILE A 1 19 ? -9.280 1.772 -5.491 1.00 97.33 19 A 1 ATOM 136 C C . ILE A 1 19 ? -10.379 2.716 -5.003 1.00 97.66 19 A 1 ATOM 137 O O . ILE A 1 19 ? -10.105 3.895 -4.792 1.00 97.72 19 A 1 ATOM 138 C CB . ILE A 1 19 ? -9.402 1.487 -7.009 1.00 96.81 19 A 1 ATOM 139 C CG1 . ILE A 1 19 ? -8.074 0.893 -7.527 1.00 96.14 19 A 1 ATOM 140 C CG2 . ILE A 1 19 ? -9.757 2.753 -7.814 1.00 95.92 19 A 1 ATOM 141 C CD1 . ILE A 1 19 ? -8.169 0.278 -8.929 1.00 94.78 19 A 1 ATOM 142 N N . SER A 1 20 ? -11.595 2.199 -4.817 1.00 97.84 20 A 1 ATOM 143 C CA . SER A 1 20 ? -12.738 3.005 -4.375 1.00 97.80 20 A 1 ATOM 144 C C . SER A 1 20 ? -12.501 3.596 -2.979 1.00 98.04 20 A 1 ATOM 145 O O . SER A 1 20 ? -12.721 4.789 -2.774 1.00 97.89 20 A 1 ATOM 146 C CB . SER A 1 20 ? -14.025 2.173 -4.384 1.00 97.26 20 A 1 ATOM 147 O OG . SER A 1 20 ? -14.238 1.566 -5.654 1.00 83.32 20 A 1 ATOM 148 N N . GLU A 1 21 ? -11.950 2.809 -2.053 1.00 97.94 21 A 1 ATOM 149 C CA . GLU A 1 21 ? -11.567 3.276 -0.709 1.00 97.81 21 A 1 ATOM 150 C C . GLU A 1 21 ? -10.517 4.398 -0.771 1.00 98.03 21 A 1 ATOM 151 O O . GLU A 1 21 ? -10.667 5.439 -0.130 1.00 97.61 21 A 1 ATOM 152 C CB . GLU A 1 21 ? -11.024 2.095 0.112 1.00 97.28 21 A 1 ATOM 153 C CG . GLU A 1 21 ? -12.118 1.075 0.490 1.00 90.29 21 A 1 ATOM 154 C CD . GLU A 1 21 ? -11.578 -0.180 1.203 1.00 87.01 21 A 1 ATOM 155 O OE1 . GLU A 1 21 ? -12.375 -1.130 1.367 1.00 76.92 21 A 1 ATOM 156 O OE2 . GLU A 1 21 ? -10.385 -0.198 1.569 1.00 78.14 21 A 1 ATOM 157 N N . VAL A 1 22 ? -9.476 4.243 -1.596 1.00 97.83 22 A 1 ATOM 158 C CA . VAL A 1 22 ? -8.448 5.285 -1.782 1.00 98.01 22 A 1 ATOM 159 C C . VAL A 1 22 ? -9.039 6.559 -2.394 1.00 98.08 22 A 1 ATOM 160 O O . VAL A 1 22 ? -8.645 7.662 -2.008 1.00 98.06 22 A 1 ATOM 161 C CB . VAL A 1 22 ? -7.283 4.758 -2.639 1.00 98.05 22 A 1 ATOM 162 C CG1 . VAL A 1 22 ? -6.275 5.856 -3.012 1.00 96.97 22 A 1 ATOM 163 C CG2 . VAL A 1 22 ? -6.490 3.691 -1.883 1.00 96.85 22 A 1 ATOM 164 N N . GLU A 1 23 ? -9.967 6.451 -3.341 1.00 97.87 23 A 1 ATOM 165 C CA . GLU A 1 23 ? -10.653 7.609 -3.926 1.00 97.91 23 A 1 ATOM 166 C C . GLU A 1 23 ? -11.495 8.360 -2.883 1.00 97.81 23 A 1 ATOM 167 O O . GLU A 1 23 ? -11.467 9.594 -2.853 1.00 97.36 23 A 1 ATOM 168 C CB . GLU A 1 23 ? -11.523 7.178 -5.119 1.00 97.82 23 A 1 ATOM 169 C CG . GLU A 1 23 ? -10.679 6.831 -6.360 1.00 96.78 23 A 1 ATOM 170 C CD . GLU A 1 23 ? -11.516 6.417 -7.584 1.00 96.19 23 A 1 ATOM 171 O OE1 . GLU A 1 23 ? -10.989 6.591 -8.716 1.00 91.05 23 A 1 ATOM 172 O OE2 . GLU A 1 23 ? -12.671 5.965 -7.429 1.00 91.65 23 A 1 ATOM 173 N N . GLU A 1 24 ? -12.192 7.641 -2.010 1.00 98.06 24 A 1 ATOM 174 C CA . GLU A 1 24 ? -12.933 8.227 -0.887 1.00 97.65 24 A 1 ATOM 175 C C . GLU A 1 24 ? -11.993 8.945 0.093 1.00 97.15 24 A 1 ATOM 176 O O . GLU A 1 24 ? -12.225 10.109 0.434 1.00 96.34 24 A 1 ATOM 177 C CB . GLU A 1 24 ? -13.768 7.153 -0.172 1.00 97.48 24 A 1 ATOM 178 C CG . GLU A 1 24 ? -14.983 6.718 -1.012 1.00 90.36 24 A 1 ATOM 179 C CD . GLU A 1 24 ? -15.884 5.671 -0.329 1.00 85.63 24 A 1 ATOM 180 O OE1 . GLU A 1 24 ? -16.843 5.220 -0.999 1.00 77.11 24 A 1 ATOM 181 O OE2 . GLU A 1 24 ? -15.697 5.397 0.881 1.00 77.97 24 A 1 ATOM 182 N N . ASP A 1 25 ? -10.885 8.314 0.468 1.00 97.36 25 A 1 ATOM 183 C CA . ASP A 1 25 ? -9.887 8.912 1.355 1.00 96.81 25 A 1 ATOM 184 C C . ASP A 1 25 ? -9.221 10.153 0.742 1.00 96.49 25 A 1 ATOM 185 O O . ASP A 1 25 ? -8.959 11.133 1.444 1.00 95.49 25 A 1 ATOM 186 C CB . ASP A 1 25 ? -8.837 7.865 1.736 1.00 96.17 25 A 1 ATOM 187 C CG . ASP A 1 25 ? -9.210 7.048 2.976 1.00 94.31 25 A 1 ATOM 188 O OD1 . ASP A 1 25 ? -10.303 7.280 3.548 1.00 91.60 25 A 1 ATOM 189 O OD2 . ASP A 1 25 ? -8.316 6.306 3.435 1.00 90.85 25 A 1 ATOM 190 N N . ILE A 1 26 ? -8.993 10.179 -0.573 1.00 97.02 26 A 1 ATOM 191 C CA . ILE A 1 26 ? -8.508 11.382 -1.274 1.00 97.12 26 A 1 ATOM 192 C C . ILE A 1 26 ? -9.504 12.542 -1.146 1.00 96.22 26 A 1 ATOM 193 O O . ILE A 1 26 ? -9.081 13.691 -0.996 1.00 95.20 26 A 1 ATOM 194 C CB . ILE A 1 26 ? -8.182 11.071 -2.755 1.00 97.66 26 A 1 ATOM 195 C CG1 . ILE A 1 26 ? -6.877 10.249 -2.836 1.00 97.62 26 A 1 ATOM 196 C CG2 . ILE A 1 26 ? -8.031 12.356 -3.601 1.00 97.33 26 A 1 ATOM 197 C CD1 . ILE A 1 26 ? -6.624 9.617 -4.210 1.00 97.15 26 A 1 ATOM 198 N N . LEU A 1 27 ? -10.810 12.273 -1.202 1.00 97.55 27 A 1 ATOM 199 C CA . LEU A 1 27 ? -11.838 13.304 -1.030 1.00 97.13 27 A 1 ATOM 200 C C . LEU A 1 27 ? -11.874 13.862 0.399 1.00 96.27 27 A 1 ATOM 201 O O . LEU A 1 27 ? -12.177 15.042 0.579 1.00 94.86 27 A 1 ATOM 202 C CB . LEU A 1 27 ? -13.218 12.742 -1.415 1.00 97.32 27 A 1 ATOM 203 C CG . LEU A 1 27 ? -13.393 12.413 -2.910 1.00 93.68 27 A 1 ATOM 204 C CD1 . LEU A 1 27 ? -14.738 11.715 -3.127 1.00 89.20 27 A 1 ATOM 205 C CD2 . LEU A 1 27 ? -13.369 13.673 -3.781 1.00 90.60 27 A 1 ATOM 206 N N . ILE A 1 28 ? -11.565 13.028 1.400 1.00 95.90 28 A 1 ATOM 207 C CA . ILE A 1 28 ? -11.624 13.387 2.822 1.00 94.25 28 A 1 ATOM 208 C C . ILE A 1 28 ? -10.328 14.066 3.279 1.00 93.27 28 A 1 ATOM 209 O O . ILE A 1 28 ? -10.367 15.150 3.860 1.00 91.97 28 A 1 ATOM 210 C CB . ILE A 1 28 ? -11.960 12.133 3.668 1.00 93.95 28 A 1 ATOM 211 C CG1 . ILE A 1 28 ? -13.357 11.574 3.295 1.00 93.18 28 A 1 ATOM 212 C CG2 . ILE A 1 28 ? -11.928 12.466 5.173 1.00 92.89 28 A 1 ATOM 213 C CD1 . ILE A 1 28 ? -13.640 10.175 3.858 1.00 88.55 28 A 1 ATOM 214 N N . PHE A 1 29 ? -9.176 13.448 3.003 1.00 94.84 29 A 1 ATOM 215 C CA . PHE A 1 29 ? -7.866 13.838 3.542 1.00 93.61 29 A 1 ATOM 216 C C . PHE A 1 29 ? -6.984 14.573 2.525 1.00 94.21 29 A 1 ATOM 217 O O . PHE A 1 29 ? -6.001 15.225 2.884 1.00 92.99 29 A 1 ATOM 218 C CB . PHE A 1 29 ? -7.166 12.587 4.087 1.00 92.82 29 A 1 ATOM 219 C CG . PHE A 1 29 ? -7.980 11.795 5.094 1.00 91.95 29 A 1 ATOM 220 C CD1 . PHE A 1 29 ? -8.266 12.343 6.360 1.00 89.33 29 A 1 ATOM 221 C CD2 . PHE A 1 29 ? -8.470 10.519 4.762 1.00 89.88 29 A 1 ATOM 222 C CE1 . PHE A 1 29 ? -9.037 11.618 7.288 1.00 88.01 29 A 1 ATOM 223 C CE2 . PHE A 1 29 ? -9.240 9.793 5.688 1.00 88.55 29 A 1 ATOM 224 C CZ . PHE A 1 29 ? -9.525 10.342 6.952 1.00 88.47 29 A 1 ATOM 225 N N . GLY A 1 30 ? -7.327 14.505 1.237 1.00 94.94 30 A 1 ATOM 226 C CA . GLY A 1 30 ? -6.522 15.023 0.138 1.00 95.77 30 A 1 ATOM 227 C C . GLY A 1 30 ? -5.468 14.022 -0.350 1.00 96.71 30 A 1 ATOM 228 O O . GLY A 1 30 ? -4.932 13.201 0.385 1.00 96.65 30 A 1 ATOM 229 N N . GLY A 1 31 ? -5.119 14.117 -1.633 1.00 96.63 31 A 1 ATOM 230 C CA . GLY A 1 31 ? -4.230 13.143 -2.278 1.00 97.23 31 A 1 ATOM 231 C C . GLY A 1 31 ? -2.773 13.145 -1.800 1.00 97.70 31 A 1 ATOM 232 O O . GLY A 1 31 ? -2.026 12.223 -2.117 1.00 97.30 31 A 1 ATOM 233 N N . THR A 1 32 ? -2.346 14.164 -1.041 1.00 97.34 32 A 1 ATOM 234 C CA . THR A 1 32 ? -1.002 14.232 -0.437 1.00 96.75 32 A 1 ATOM 235 C C . THR A 1 32 ? -0.903 13.540 0.923 1.00 96.28 32 A 1 ATOM 236 O O . THR A 1 32 ? 0.197 13.460 1.463 1.00 95.11 32 A 1 ATOM 237 C CB . THR A 1 32 ? -0.525 15.683 -0.298 1.00 96.25 32 A 1 ATOM 238 O OG1 . THR A 1 32 ? -1.453 16.443 0.444 1.00 93.19 32 A 1 ATOM 239 C CG2 . THR A 1 32 ? -0.370 16.360 -1.659 1.00 90.68 32 A 1 ATOM 240 N N . PHE A 1 33 ? -2.015 13.057 1.460 1.00 96.42 33 A 1 ATOM 241 C CA . PHE A 1 33 ? -2.059 12.329 2.725 1.00 96.21 33 A 1 ATOM 242 C C . PHE A 1 33 ? -1.190 11.068 2.646 1.00 96.89 33 A 1 ATOM 243 O O . PHE A 1 33 ? -1.194 10.363 1.631 1.00 97.02 33 A 1 ATOM 244 C CB . PHE A 1 33 ? -3.511 11.997 3.055 1.00 95.26 33 A 1 ATOM 245 C CG . PHE A 1 33 ? -3.693 11.355 4.412 1.00 94.56 33 A 1 ATOM 246 C CD1 . PHE A 1 33 ? -3.647 9.957 4.544 1.00 93.03 33 A 1 ATOM 247 C CD2 . PHE A 1 33 ? -3.913 12.158 5.543 1.00 93.17 33 A 1 ATOM 248 C CE1 . PHE A 1 33 ? -3.826 9.360 5.803 1.00 91.48 33 A 1 ATOM 249 C CE2 . PHE A 1 33 ? -4.097 11.561 6.800 1.00 91.53 33 A 1 ATOM 250 C CZ . PHE A 1 33 ? -4.057 10.161 6.929 1.00 91.53 33 A 1 ATOM 251 N N . LEU A 1 34 ? -0.405 10.813 3.702 1.00 96.24 34 A 1 ATOM 252 C CA . LEU A 1 34 ? 0.564 9.721 3.737 1.00 96.15 34 A 1 ATOM 253 C C . LEU A 1 34 ? -0.059 8.433 4.277 1.00 96.06 34 A 1 ATOM 254 O O . LEU A 1 34 ? -0.753 8.428 5.287 1.00 95.51 34 A 1 ATOM 255 C CB . LEU A 1 34 ? 1.801 10.120 4.557 1.00 95.62 34 A 1 ATOM 256 C CG . LEU A 1 34 ? 2.659 11.234 3.935 1.00 93.46 34 A 1 ATOM 257 C CD1 . LEU A 1 34 ? 3.812 11.569 4.881 1.00 90.66 34 A 1 ATOM 258 C CD2 . LEU A 1 34 ? 3.265 10.829 2.589 1.00 90.36 34 A 1 ATOM 259 N N . VAL A 1 35 ? 0.277 7.328 3.622 1.00 96.26 35 A 1 ATOM 260 C CA . VAL A 1 35 ? -0.166 5.977 3.970 1.00 96.80 35 A 1 ATOM 261 C C . VAL A 1 35 ? 0.997 4.991 3.878 1.00 96.75 35 A 1 ATOM 262 O O . VAL A 1 35 ? 2.013 5.256 3.228 1.00 96.88 35 A 1 ATOM 263 C CB . VAL A 1 35 ? -1.341 5.527 3.080 1.00 97.12 35 A 1 ATOM 264 C CG1 . VAL A 1 35 ? -2.568 6.424 3.262 1.00 96.60 35 A 1 ATOM 265 C CG2 . VAL A 1 35 ? -0.983 5.489 1.585 1.00 96.24 35 A 1 ATOM 266 N N . TYR A 1 36 ? 0.850 3.834 4.511 1.00 97.23 36 A 1 ATOM 267 C CA . TYR A 1 36 ? 1.688 2.662 4.283 1.00 97.20 36 A 1 ATOM 268 C C . TYR A 1 36 ? 0.908 1.655 3.443 1.00 97.41 36 A 1 ATOM 269 O O . TYR A 1 36 ? -0.052 1.066 3.923 1.00 97.09 36 A 1 ATOM 270 C CB . TYR A 1 36 ? 2.134 2.051 5.612 1.00 96.86 36 A 1 ATOM 271 C CG . TYR A 1 36 ? 3.060 2.934 6.423 1.00 95.91 36 A 1 ATOM 272 C CD1 . TYR A 1 36 ? 4.418 3.039 6.065 1.00 93.42 36 A 1 ATOM 273 C CD2 . TYR A 1 36 ? 2.569 3.648 7.533 1.00 93.61 36 A 1 ATOM 274 C CE1 . TYR A 1 36 ? 5.284 3.859 6.812 1.00 92.00 36 A 1 ATOM 275 C CE2 . TYR A 1 36 ? 3.430 4.470 8.282 1.00 92.21 36 A 1 ATOM 276 C CZ . TYR A 1 36 ? 4.790 4.578 7.921 1.00 92.40 36 A 1 ATOM 277 O OH . TYR A 1 36 ? 5.621 5.381 8.637 1.00 90.07 36 A 1 ATOM 278 N N . ALA A 1 37 ? 1.323 1.456 2.195 1.00 97.37 37 A 1 ATOM 279 C CA . ALA A 1 37 ? 0.793 0.393 1.348 1.00 97.54 37 A 1 ATOM 280 C C . ALA A 1 37 ? 1.373 -0.954 1.791 1.00 97.48 37 A 1 ATOM 281 O O . ALA A 1 37 ? 2.598 -1.107 1.857 1.00 97.01 37 A 1 ATOM 282 C CB . ALA A 1 37 ? 1.138 0.704 -0.109 1.00 97.46 37 A 1 ATOM 283 N N . ILE A 1 38 ? 0.512 -1.925 2.071 1.00 97.42 38 A 1 ATOM 284 C CA . ILE A 1 38 ? 0.876 -3.284 2.475 1.00 97.16 38 A 1 ATOM 285 C C . ILE A 1 38 ? 1.038 -4.136 1.218 1.00 96.90 38 A 1 ATOM 286 O O . ILE A 1 38 ? 0.158 -4.211 0.362 1.00 96.30 38 A 1 ATOM 287 C CB . ILE A 1 38 ? -0.157 -3.854 3.472 1.00 96.68 38 A 1 ATOM 288 C CG1 . ILE A 1 38 ? -0.186 -2.983 4.755 1.00 95.16 38 A 1 ATOM 289 C CG2 . ILE A 1 38 ? 0.171 -5.320 3.809 1.00 95.46 38 A 1 ATOM 290 C CD1 . ILE A 1 38 ? -1.270 -3.376 5.761 1.00 89.84 38 A 1 ATOM 291 N N . CYS A 1 39 ? 2.203 -4.772 1.093 1.00 96.70 39 A 1 ATOM 292 C CA . CYS A 1 39 ? 2.536 -5.615 -0.045 1.00 96.19 39 A 1 ATOM 293 C C . CYS A 1 39 ? 2.370 -7.094 0.317 1.00 95.76 39 A 1 ATOM 294 O O . CYS A 1 39 ? 2.905 -7.570 1.318 1.00 94.44 39 A 1 ATOM 295 C CB . CYS A 1 39 ? 3.962 -5.323 -0.514 1.00 95.25 39 A 1 ATOM 296 S SG . CYS A 1 39 ? 4.160 -3.596 -1.053 1.00 91.05 39 A 1 ATOM 297 N N . SER A 1 40 ? 1.726 -7.838 -0.568 1.00 95.98 40 A 1 ATOM 298 C CA . SER A 1 40 ? 1.562 -9.288 -0.489 1.00 95.22 40 A 1 ATOM 299 C C . SER A 1 40 ? 2.172 -9.973 -1.710 1.00 94.88 40 A 1 ATOM 300 O O . SER A 1 40 ? 2.442 -9.349 -2.736 1.00 93.71 40 A 1 ATOM 301 C CB . SER A 1 40 ? 0.085 -9.633 -0.331 1.00 94.33 40 A 1 ATOM 302 O OG . SER A 1 40 ? -0.365 -9.247 0.949 1.00 88.28 40 A 1 ATOM 303 N N . TRP A 1 41 ? 2.413 -11.278 -1.594 1.00 93.61 41 A 1 ATOM 304 C CA . TRP A 1 41 ? 2.989 -12.098 -2.654 1.00 93.47 41 A 1 ATOM 305 C C . TRP A 1 41 ? 1.977 -13.141 -3.135 1.00 93.22 41 A 1 ATOM 306 O O . TRP A 1 41 ? 1.411 -13.873 -2.325 1.00 91.46 41 A 1 ATOM 307 C CB . TRP A 1 41 ? 4.267 -12.759 -2.137 1.00 92.20 41 A 1 ATOM 308 C CG . TRP A 1 41 ? 4.929 -13.659 -3.135 1.00 90.70 41 A 1 ATOM 309 C CD1 . TRP A 1 41 ? 4.878 -15.011 -3.142 1.00 86.97 41 A 1 ATOM 310 C CD2 . TRP A 1 41 ? 5.702 -13.282 -4.310 1.00 89.38 41 A 1 ATOM 311 N NE1 . TRP A 1 41 ? 5.572 -15.498 -4.231 1.00 85.16 41 A 1 ATOM 312 C CE2 . TRP A 1 41 ? 6.101 -14.475 -4.990 1.00 87.55 41 A 1 ATOM 313 C CE3 . TRP A 1 41 ? 6.103 -12.055 -4.877 1.00 85.22 41 A 1 ATOM 314 C CZ2 . TRP A 1 41 ? 6.859 -14.447 -6.171 1.00 85.05 41 A 1 ATOM 315 C CZ3 . TRP A 1 41 ? 6.864 -12.018 -6.060 1.00 82.73 41 A 1 ATOM 316 C CH2 . TRP A 1 41 ? 7.239 -13.209 -6.705 1.00 81.89 41 A 1 ATOM 317 N N . ARG A 1 42 ? 1.801 -13.250 -4.461 1.00 92.62 42 A 1 ATOM 318 C CA . ARG A 1 42 ? 1.060 -14.352 -5.092 1.00 92.04 42 A 1 ATOM 319 C C . ARG A 1 42 ? 2.035 -15.364 -5.678 1.00 92.67 42 A 1 ATOM 320 O O . ARG A 1 42 ? 2.725 -15.086 -6.658 1.00 91.30 42 A 1 ATOM 321 C CB . ARG A 1 42 ? 0.088 -13.834 -6.155 1.00 90.26 42 A 1 ATOM 322 C CG . ARG A 1 42 ? -1.134 -13.153 -5.523 1.00 84.00 42 A 1 ATOM 323 C CD . ARG A 1 42 ? -2.239 -13.020 -6.575 1.00 81.05 42 A 1 ATOM 324 N NE . ARG A 1 42 ? -3.443 -12.381 -6.022 1.00 76.32 42 A 1 ATOM 325 C CZ . ARG A 1 42 ? -4.618 -12.305 -6.618 1.00 70.93 42 A 1 ATOM 326 N NH1 . ARG A 1 42 ? -4.840 -12.834 -7.789 1.00 66.66 42 A 1 ATOM 327 N NH2 . ARG A 1 42 ? -5.610 -11.678 -6.042 1.00 63.58 42 A 1 ATOM 328 N N . GLU A 1 43 ? 2.063 -16.551 -5.085 1.00 89.63 43 A 1 ATOM 329 C CA . GLU A 1 43 ? 2.996 -17.624 -5.456 1.00 89.49 43 A 1 ATOM 330 C C . GLU A 1 43 ? 2.747 -18.169 -6.872 1.00 89.53 43 A 1 ATOM 331 O O . GLU A 1 43 ? 3.693 -18.444 -7.609 1.00 87.59 43 A 1 ATOM 332 C CB . GLU A 1 43 ? 2.869 -18.749 -4.408 1.00 88.83 43 A 1 ATOM 333 C CG . GLU A 1 43 ? 3.957 -19.835 -4.524 1.00 80.15 43 A 1 ATOM 334 C CD . GLU A 1 43 ? 5.380 -19.313 -4.279 1.00 76.78 43 A 1 ATOM 335 O OE1 . GLU A 1 43 ? 6.325 -19.934 -4.823 1.00 69.10 43 A 1 ATOM 336 O OE2 . GLU A 1 43 ? 5.526 -18.299 -3.562 1.00 69.53 43 A 1 ATOM 337 N N . ILE A 1 44 ? 1.485 -18.296 -7.277 1.00 87.43 44 A 1 ATOM 338 C CA . ILE A 1 44 ? 1.110 -18.861 -8.584 1.00 87.24 44 A 1 ATOM 339 C C . ILE A 1 44 ? 1.535 -17.911 -9.709 1.00 87.27 44 A 1 ATOM 340 O O . ILE A 1 44 ? 2.203 -18.319 -10.660 1.00 84.71 44 A 1 ATOM 341 C CB . ILE A 1 44 ? -0.407 -19.178 -8.626 1.00 86.59 44 A 1 ATOM 342 C CG1 . ILE A 1 44 ? -0.762 -20.244 -7.562 1.00 81.71 44 A 1 ATOM 343 C CG2 . ILE A 1 44 ? -0.827 -19.652 -10.031 1.00 80.83 44 A 1 ATOM 344 C CD1 . ILE A 1 44 ? -2.267 -20.528 -7.420 1.00 73.53 44 A 1 ATOM 345 N N . GLU A 1 45 ? 1.185 -16.635 -9.581 1.00 87.80 45 A 1 ATOM 346 C CA . GLU A 1 45 ? 1.491 -15.593 -10.561 1.00 87.11 45 A 1 ATOM 347 C C . GLU A 1 45 ? 2.928 -15.068 -10.437 1.00 87.99 45 A 1 ATOM 348 O O . GLU A 1 45 ? 3.406 -14.414 -11.362 1.00 85.76 45 A 1 ATOM 349 C CB . GLU A 1 45 ? 0.474 -14.445 -10.433 1.00 85.71 45 A 1 ATOM 350 C CG . GLU A 1 45 ? -0.989 -14.847 -10.711 1.00 81.57 45 A 1 ATOM 351 C CD . GLU A 1 45 ? -1.753 -15.442 -9.517 1.00 79.80 45 A 1 ATOM 352 O OE1 . GLU A 1 45 ? -2.989 -15.604 -9.646 1.00 72.40 45 A 1 ATOM 353 O OE2 . GLU A 1 45 ? -1.137 -15.726 -8.458 1.00 72.70 45 A 1 ATOM 354 N N . GLN A 1 46 ? 3.633 -15.379 -9.341 1.00 89.35 46 A 1 ATOM 355 C CA . GLN A 1 46 ? 4.986 -14.906 -9.015 1.00 90.12 46 A 1 ATOM 356 C C . GLN A 1 46 ? 5.109 -13.378 -9.061 1.00 90.52 46 A 1 ATOM 357 O O . GLN A 1 46 ? 6.003 -12.821 -9.711 1.00 88.83 46 A 1 ATOM 358 C CB . GLN A 1 46 ? 6.047 -15.617 -9.869 1.00 89.48 46 A 1 ATOM 359 C CG . GLN A 1 46 ? 6.037 -17.131 -9.660 1.00 85.80 46 A 1 ATOM 360 C CD . GLN A 1 46 ? 7.234 -17.817 -10.301 1.00 80.48 46 A 1 ATOM 361 O OE1 . GLN A 1 46 ? 7.900 -17.344 -11.215 1.00 72.86 46 A 1 ATOM 362 N NE2 . GLN A 1 46 ? 7.562 -19.007 -9.838 1.00 69.80 46 A 1 ATOM 363 N N . VAL A 1 47 ? 4.187 -12.698 -8.380 1.00 91.75 47 A 1 ATOM 364 C CA . VAL A 1 47 ? 4.086 -11.240 -8.397 1.00 92.31 47 A 1 ATOM 365 C C . VAL A 1 47 ? 3.818 -10.681 -7.003 1.00 92.68 47 A 1 ATOM 366 O O . VAL A 1 47 ? 3.055 -11.245 -6.217 1.00 92.15 47 A 1 ATOM 367 C CB . VAL A 1 47 ? 3.043 -10.784 -9.434 1.00 91.24 47 A 1 ATOM 368 C CG1 . VAL A 1 47 ? 1.600 -11.119 -9.047 1.00 86.04 47 A 1 ATOM 369 C CG2 . VAL A 1 47 ? 3.161 -9.287 -9.729 1.00 86.21 47 A 1 ATOM 370 N N . GLU A 1 48 ? 4.484 -9.571 -6.706 1.00 92.78 48 A 1 ATOM 371 C CA . GLU A 1 48 ? 4.172 -8.731 -5.557 1.00 93.14 48 A 1 ATOM 372 C C . GLU A 1 48 ? 3.081 -7.729 -5.943 1.00 93.56 48 A 1 ATOM 373 O O . GLU A 1 48 ? 3.119 -7.160 -7.035 1.00 93.01 48 A 1 ATOM 374 C CB . GLU A 1 48 ? 5.445 -8.027 -5.082 1.00 92.32 48 A 1 ATOM 375 C CG . GLU A 1 48 ? 5.232 -7.184 -3.824 1.00 89.21 48 A 1 ATOM 376 C CD . GLU A 1 48 ? 6.591 -6.793 -3.248 1.00 88.31 48 A 1 ATOM 377 O OE1 . GLU A 1 48 ? 7.095 -5.662 -3.441 1.00 81.30 48 A 1 ATOM 378 O OE2 . GLU A 1 48 ? 7.220 -7.655 -2.602 1.00 82.23 48 A 1 ATOM 379 N N . TYR A 1 49 ? 2.140 -7.512 -5.048 1.00 94.67 49 A 1 ATOM 380 C CA . TYR A 1 49 ? 1.024 -6.597 -5.252 1.00 95.27 49 A 1 ATOM 381 C C . TYR A 1 49 ? 0.665 -5.884 -3.948 1.00 95.77 49 A 1 ATOM 382 O O . TYR A 1 49 ? 0.986 -6.368 -2.864 1.00 95.61 49 A 1 ATOM 383 C CB . TYR A 1 49 ? -0.173 -7.371 -5.818 1.00 94.83 49 A 1 ATOM 384 C CG . TYR A 1 49 ? -0.890 -8.283 -4.841 1.00 94.47 49 A 1 ATOM 385 C CD1 . TYR A 1 49 ? -0.312 -9.504 -4.437 1.00 93.62 49 A 1 ATOM 386 C CD2 . TYR A 1 49 ? -2.141 -7.900 -4.319 1.00 93.96 49 A 1 ATOM 387 C CE1 . TYR A 1 49 ? -0.982 -10.336 -3.522 1.00 92.83 49 A 1 ATOM 388 C CE2 . TYR A 1 49 ? -2.816 -8.730 -3.405 1.00 93.24 49 A 1 ATOM 389 C CZ . TYR A 1 49 ? -2.235 -9.948 -3.005 1.00 92.71 49 A 1 ATOM 390 O OH . TYR A 1 49 ? -2.885 -10.744 -2.112 1.00 90.90 49 A 1 ATOM 391 N N . ILE A 1 50 ? -0.005 -4.740 -4.057 1.00 96.08 50 A 1 ATOM 392 C CA . ILE A 1 50 ? -0.568 -4.040 -2.901 1.00 96.56 50 A 1 ATOM 393 C C . ILE A 1 50 ? -1.898 -4.707 -2.554 1.00 96.31 50 A 1 ATOM 394 O O . ILE A 1 50 ? -2.798 -4.761 -3.397 1.00 95.76 50 A 1 ATOM 395 C CB . ILE A 1 50 ? -0.704 -2.532 -3.170 1.00 96.86 50 A 1 ATOM 396 C CG1 . ILE A 1 50 ? 0.690 -1.927 -3.468 1.00 96.15 50 A 1 ATOM 397 C CG2 . ILE A 1 50 ? -1.366 -1.845 -1.964 1.00 96.18 50 A 1 ATOM 398 C CD1 . ILE A 1 50 ? 0.663 -0.451 -3.864 1.00 94.57 50 A 1 ATOM 399 N N . SER A 1 51 ? -1.985 -5.246 -1.346 1.00 96.63 51 A 1 ATOM 400 C CA . SER A 1 51 ? -3.180 -5.922 -0.834 1.00 96.50 51 A 1 ATOM 401 C C . SER A 1 51 ? -4.042 -5.044 0.060 1.00 96.70 51 A 1 ATOM 402 O O . SER A 1 51 ? -5.220 -5.329 0.191 1.00 95.99 51 A 1 ATOM 403 C CB . SER A 1 51 ? -2.798 -7.183 -0.059 1.00 95.75 51 A 1 ATOM 404 O OG . SER A 1 51 ? -1.832 -6.929 0.939 1.00 93.40 51 A 1 ATOM 405 N N . ASP A 1 52 ? -3.442 -4.034 0.686 1.00 96.79 52 A 1 ATOM 406 C CA . ASP A 1 52 ? -4.109 -3.149 1.640 1.00 96.93 52 A 1 ATOM 407 C C . ASP A 1 52 ? -3.274 -1.880 1.867 1.00 97.46 52 A 1 ATOM 408 O O . ASP A 1 52 ? -2.157 -1.759 1.348 1.00 97.17 52 A 1 ATOM 409 C CB . ASP A 1 52 ? -4.310 -3.908 2.966 1.00 96.03 52 A 1 ATOM 410 C CG . ASP A 1 52 ? -5.527 -3.428 3.759 1.00 93.47 52 A 1 ATOM 411 O OD1 . ASP A 1 52 ? -6.063 -2.365 3.398 1.00 89.88 52 A 1 ATOM 412 O OD2 . ASP A 1 52 ? -5.914 -4.172 4.688 1.00 88.25 52 A 1 ATOM 413 N N . TYR A 1 53 ? -3.778 -0.934 2.659 1.00 97.16 53 A 1 ATOM 414 C CA . TYR A 1 53 ? -3.010 0.197 3.171 1.00 97.38 53 A 1 ATOM 415 C C . TYR A 1 53 ? -3.520 0.631 4.549 1.00 97.00 53 A 1 ATOM 416 O O . TYR A 1 53 ? -4.668 0.405 4.907 1.00 96.23 53 A 1 ATOM 417 C CB . TYR A 1 53 ? -3.035 1.375 2.187 1.00 97.52 53 A 1 ATOM 418 C CG . TYR A 1 53 ? -4.371 2.080 2.068 1.00 97.79 53 A 1 ATOM 419 C CD1 . TYR A 1 53 ? -5.399 1.496 1.305 1.00 97.26 53 A 1 ATOM 420 C CD2 . TYR A 1 53 ? -4.607 3.303 2.734 1.00 97.32 53 A 1 ATOM 421 C CE1 . TYR A 1 53 ? -6.655 2.115 1.214 1.00 96.92 53 A 1 ATOM 422 C CE2 . TYR A 1 53 ? -5.866 3.928 2.644 1.00 96.94 53 A 1 ATOM 423 C CZ . TYR A 1 53 ? -6.893 3.327 1.885 1.00 97.24 53 A 1 ATOM 424 O OH . TYR A 1 53 ? -8.120 3.906 1.801 1.00 96.50 53 A 1 ATOM 425 N N . VAL A 1 54 ? -2.656 1.307 5.312 1.00 96.95 54 A 1 ATOM 426 C CA . VAL A 1 54 ? -3.015 1.931 6.593 1.00 96.48 54 A 1 ATOM 427 C C . VAL A 1 54 ? -2.553 3.387 6.613 1.00 96.74 54 A 1 ATOM 428 O O . VAL A 1 54 ? -1.577 3.752 5.949 1.00 96.38 54 A 1 ATOM 429 C CB . VAL A 1 54 ? -2.467 1.150 7.804 1.00 95.27 54 A 1 ATOM 430 C CG1 . VAL A 1 54 ? -3.026 -0.279 7.849 1.00 91.13 54 A 1 ATOM 431 C CG2 . VAL A 1 54 ? -0.935 1.079 7.823 1.00 91.25 54 A 1 ATOM 432 N N . HIS A 1 55 ? -3.232 4.231 7.392 1.00 95.79 55 A 1 ATOM 433 C CA . HIS A 1 55 ? -2.868 5.643 7.520 1.00 95.11 55 A 1 ATOM 434 C C . HIS A 1 55 ? -1.518 5.798 8.236 1.00 95.00 55 A 1 ATOM 435 O O . HIS A 1 55 ? -1.232 5.128 9.223 1.00 93.95 55 A 1 ATOM 436 C CB . HIS A 1 55 ? -3.988 6.411 8.236 1.00 93.83 55 A 1 ATOM 437 C CG . HIS A 1 55 ? -5.298 6.508 7.484 1.00 92.29 55 A 1 ATOM 438 N ND1 . HIS A 1 55 ? -6.435 7.160 7.951 1.00 82.65 55 A 1 ATOM 439 C CD2 . HIS A 1 55 ? -5.588 6.022 6.243 1.00 83.22 55 A 1 ATOM 440 C CE1 . HIS A 1 55 ? -7.374 7.050 7.004 1.00 84.05 55 A 1 ATOM 441 N NE2 . HIS A 1 55 ? -6.897 6.371 5.949 1.00 86.29 55 A 1 ATOM 442 N N . ALA A 1 56 ? -0.670 6.706 7.740 1.00 95.41 56 A 1 ATOM 443 C CA . ALA A 1 56 ? 0.640 6.966 8.341 1.00 94.77 56 A 1 ATOM 444 C C . ALA A 1 56 ? 0.605 8.031 9.448 1.00 93.64 56 A 1 ATOM 445 O O . ALA A 1 56 ? 1.610 8.233 10.138 1.00 90.76 56 A 1 ATOM 446 C CB . ALA A 1 56 ? 1.621 7.337 7.222 1.00 94.36 56 A 1 ATOM 447 N N . ASP A 1 57 ? -0.517 8.721 9.607 1.00 91.47 57 A 1 ATOM 448 C CA . ASP A 1 57 ? -0.669 9.809 10.570 1.00 89.51 57 A 1 ATOM 449 C C . ASP A 1 57 ? -0.688 9.294 12.008 1.00 91.01 57 A 1 ATOM 450 O O . ASP A 1 57 ? -1.499 8.453 12.389 1.00 88.63 57 A 1 ATOM 451 C CB . ASP A 1 57 ? -1.924 10.633 10.260 1.00 84.42 57 A 1 ATOM 452 C CG . ASP A 1 57 ? -1.654 11.814 9.326 1.00 75.19 57 A 1 ATOM 453 O OD1 . ASP A 1 57 ? -0.550 11.874 8.731 1.00 68.35 57 A 1 ATOM 454 O OD2 . ASP A 1 57 ? -2.531 12.699 9.262 1.00 69.66 57 A 1 ATOM 455 N N . ASN A 1 58 ? 0.197 9.861 12.827 1.00 92.03 58 A 1 ATOM 456 C CA . ASN A 1 58 ? 0.206 9.601 14.260 1.00 92.98 58 A 1 ATOM 457 C C . ASN A 1 58 ? -0.834 10.501 14.960 1.00 92.97 58 A 1 ATOM 458 O O . ASN A 1 58 ? -0.640 11.723 14.969 1.00 91.81 58 A 1 ATOM 459 C CB . ASN A 1 58 ? 1.629 9.822 14.797 1.00 92.01 58 A 1 ATOM 460 C CG . ASN A 1 58 ? 1.758 9.493 16.275 1.00 92.13 58 A 1 ATOM 461 O OD1 . ASN A 1 58 ? 0.806 9.341 17.020 1.00 88.11 58 A 1 ATOM 462 N ND2 . ASN A 1 58 ? 2.965 9.376 16.769 1.00 87.67 58 A 1 ATOM 463 N N . PRO A 1 59 ? -1.855 9.942 15.627 1.00 92.43 59 A 1 ATOM 464 C CA . PRO A 1 59 ? -2.878 10.722 16.333 1.00 92.40 59 A 1 ATOM 465 C C . PRO A 1 59 ? -2.321 11.680 17.397 1.00 92.80 59 A 1 ATOM 466 O O . PRO A 1 59 ? -2.945 12.686 17.723 1.00 91.35 59 A 1 ATOM 467 C CB . PRO A 1 59 ? -3.815 9.690 16.973 1.00 91.41 59 A 1 ATOM 468 C CG . PRO A 1 59 ? -3.658 8.464 16.083 1.00 89.78 59 A 1 ATOM 469 C CD . PRO A 1 59 ? -2.190 8.523 15.668 1.00 92.25 59 A 1 ATOM 470 N N . GLU A 1 60 ? -1.124 11.418 17.915 1.00 92.95 60 A 1 ATOM 471 C CA . GLU A 1 60 ? -0.439 12.311 18.862 1.00 92.75 60 A 1 ATOM 472 C C . GLU A 1 60 ? -0.157 13.702 18.262 1.00 92.29 60 A 1 ATOM 473 O O . GLU A 1 60 ? -0.111 14.687 19.000 1.00 89.67 60 A 1 ATOM 474 C CB . GLU A 1 60 ? 0.870 11.643 19.320 1.00 92.03 60 A 1 ATOM 475 C CG . GLU A 1 60 ? 1.588 12.350 20.485 1.00 82.02 60 A 1 ATOM 476 C CD . GLU A 1 60 ? 0.818 12.339 21.819 1.00 80.77 60 A 1 ATOM 477 O OE1 . GLU A 1 60 ? 1.091 13.224 22.671 1.00 74.11 60 A 1 ATOM 478 O OE2 . GLU A 1 60 ? -0.036 11.457 22.040 1.00 74.73 60 A 1 ATOM 479 N N . SER A 1 61 ? 0.019 13.802 16.932 1.00 91.69 61 A 1 ATOM 480 C CA . SER A 1 61 ? 0.355 15.066 16.259 1.00 89.54 61 A 1 ATOM 481 C C . SER A 1 61 ? -0.803 16.076 16.213 1.00 89.32 61 A 1 ATOM 482 O O . SER A 1 61 ? -0.546 17.270 16.079 1.00 86.80 61 A 1 ATOM 483 C CB . SER A 1 61 ? 0.891 14.794 14.848 1.00 88.07 61 A 1 ATOM 484 O OG . SER A 1 61 ? -0.081 14.230 14.002 1.00 79.46 61 A 1 ATOM 485 N N . TYR A 1 62 ? -2.049 15.616 16.367 1.00 89.78 62 A 1 ATOM 486 C CA . TYR A 1 62 ? -3.265 16.437 16.312 1.00 89.87 62 A 1 ATOM 487 C C . TYR A 1 62 ? -4.250 16.116 17.450 1.00 91.66 62 A 1 ATOM 488 O O . TYR A 1 62 ? -5.436 16.432 17.378 1.00 90.99 62 A 1 ATOM 489 C CB . TYR A 1 62 ? -3.899 16.306 14.920 1.00 88.61 62 A 1 ATOM 490 C CG . TYR A 1 62 ? -4.184 14.879 14.483 1.00 87.68 62 A 1 ATOM 491 C CD1 . TYR A 1 62 ? -3.211 14.156 13.769 1.00 85.18 62 A 1 ATOM 492 C CD2 . TYR A 1 62 ? -5.425 14.278 14.770 1.00 85.06 62 A 1 ATOM 493 C CE1 . TYR A 1 62 ? -3.472 12.842 13.345 1.00 82.05 62 A 1 ATOM 494 C CE2 . TYR A 1 62 ? -5.688 12.961 14.352 1.00 83.00 62 A 1 ATOM 495 C CZ . TYR A 1 62 ? -4.710 12.240 13.640 1.00 82.90 62 A 1 ATOM 496 O OH . TYR A 1 62 ? -4.960 10.964 13.238 1.00 80.03 62 A 1 ATOM 497 N N . LYS A 1 63 ? -3.765 15.539 18.547 1.00 92.34 63 A 1 ATOM 498 C CA . LYS A 1 63 ? -4.606 15.141 19.695 1.00 93.32 63 A 1 ATOM 499 C C . LYS A 1 63 ? -5.396 16.290 20.329 1.00 94.02 63 A 1 ATOM 500 O O . LYS A 1 63 ? -6.455 16.052 20.892 1.00 93.59 63 A 1 ATOM 501 C CB . LYS A 1 63 ? -3.739 14.450 20.752 1.00 91.61 63 A 1 ATOM 502 C CG . LYS A 1 63 ? -2.819 15.441 21.481 1.00 87.85 63 A 1 ATOM 503 C CD . LYS A 1 63 ? -1.965 14.703 22.498 1.00 86.04 63 A 1 ATOM 504 C CE . LYS A 1 63 ? -1.048 15.709 23.186 1.00 78.63 63 A 1 ATOM 505 N NZ . LYS A 1 63 ? -0.098 14.998 24.049 1.00 71.94 63 A 1 ATOM 506 N N . ASP A 1 64 ? -4.874 17.519 20.249 1.00 94.16 64 A 1 ATOM 507 C CA . ASP A 1 64 ? -5.508 18.709 20.833 1.00 94.29 64 A 1 ATOM 508 C C . ASP A 1 64 ? -6.764 19.149 20.055 1.00 94.46 64 A 1 ATOM 509 O O . ASP A 1 64 ? -7.563 19.930 20.566 1.00 92.90 64 A 1 ATOM 510 C CB . ASP A 1 64 ? -4.472 19.849 20.927 1.00 93.91 64 A 1 ATOM 511 C CG . ASP A 1 64 ? -3.307 19.572 21.897 1.00 91.20 64 A 1 ATOM 512 O OD1 . ASP A 1 64 ? -3.479 18.803 22.873 1.00 87.44 64 A 1 ATOM 513 O OD2 . ASP A 1 64 ? -2.222 20.159 21.685 1.00 87.69 64 A 1 ATOM 514 N N . GLU A 1 65 ? -6.961 18.623 18.845 1.00 93.77 65 A 1 ATOM 515 C CA . GLU A 1 65 ? -8.147 18.839 18.004 1.00 92.76 65 A 1 ATOM 516 C C . GLU A 1 65 ? -9.240 17.778 18.241 1.00 93.78 65 A 1 ATOM 517 O O . GLU A 1 65 ? -10.350 17.902 17.724 1.00 92.06 65 A 1 ATOM 518 C CB . GLU A 1 65 ? -7.729 18.876 16.521 1.00 91.31 65 A 1 ATOM 519 C CG . GLU A 1 65 ? -6.666 19.953 16.227 1.00 87.98 65 A 1 ATOM 520 C CD . GLU A 1 65 ? -6.246 20.038 14.745 1.00 84.84 65 A 1 ATOM 521 O OE1 . GLU A 1 65 ? -5.194 20.671 14.491 1.00 78.36 65 A 1 ATOM 522 O OE2 . GLU A 1 65 ? -6.983 19.525 13.875 1.00 78.39 65 A 1 ATOM 523 N N . LEU A 1 66 ? -8.944 16.744 19.030 1.00 92.28 66 A 1 ATOM 524 C CA . LEU A 1 66 ? -9.809 15.592 19.266 1.00 92.97 66 A 1 ATOM 525 C C . LEU A 1 66 ? -10.408 15.608 20.675 1.00 94.32 66 A 1 ATOM 526 O O . LEU A 1 66 ? -9.798 16.046 21.651 1.00 94.17 66 A 1 ATOM 527 C CB . LEU A 1 66 ? -9.015 14.296 19.038 1.00 92.09 66 A 1 ATOM 528 C CG . LEU A 1 66 ? -8.436 14.127 17.621 1.00 90.22 66 A 1 ATOM 529 C CD1 . LEU A 1 66 ? -7.572 12.866 17.590 1.00 87.73 66 A 1 ATOM 530 C CD2 . LEU A 1 66 ? -9.526 13.994 16.556 1.00 88.03 66 A 1 ATOM 531 N N . THR A 1 67 ? -11.587 15.021 20.811 1.00 95.37 67 A 1 ATOM 532 C CA . THR A 1 67 ? -12.080 14.632 22.134 1.00 96.00 67 A 1 ATOM 533 C C . THR A 1 67 ? -11.241 13.485 22.708 1.00 96.43 67 A 1 ATOM 534 O O . THR A 1 67 ? -10.645 12.688 21.986 1.00 96.42 67 A 1 ATOM 535 C CB . THR A 1 67 ? -13.563 14.234 22.115 1.00 96.14 67 A 1 ATOM 536 O OG1 . THR A 1 67 ? -13.750 13.052 21.389 1.00 93.72 67 A 1 ATOM 537 C CG2 . THR A 1 67 ? -14.483 15.314 21.554 1.00 91.77 67 A 1 ATOM 538 N N . THR A 1 68 ? -11.248 13.328 24.033 1.00 96.20 68 A 1 ATOM 539 C CA . THR A 1 68 ? -10.537 12.221 24.707 1.00 96.44 68 A 1 ATOM 540 C C . THR A 1 68 ? -10.939 10.843 24.170 1.00 96.56 68 A 1 ATOM 541 O O . THR A 1 68 ? -10.112 9.939 24.118 1.00 96.34 68 A 1 ATOM 542 C CB . THR A 1 68 ? -10.813 12.249 26.219 1.00 96.03 68 A 1 ATOM 543 O OG1 . THR A 1 68 ? -10.541 13.528 26.738 1.00 91.27 68 A 1 ATOM 544 C CG2 . THR A 1 68 ? -9.964 11.259 27.013 1.00 89.04 68 A 1 ATOM 545 N N . LYS A 1 69 ? -12.210 10.690 23.783 1.00 97.18 69 A 1 ATOM 546 C CA . LYS A 1 69 ? -12.731 9.435 23.236 1.00 96.98 69 A 1 ATOM 547 C C . LYS A 1 69 ? -12.194 9.168 21.828 1.00 97.05 69 A 1 ATOM 548 O O . LYS A 1 69 ? -11.665 8.091 21.594 1.00 96.86 69 A 1 ATOM 549 C CB . LYS A 1 69 ? -14.265 9.457 23.284 1.00 96.69 69 A 1 ATOM 550 C CG . LYS A 1 69 ? -14.839 8.123 22.798 1.00 91.05 69 A 1 ATOM 551 C CD . LYS A 1 69 ? -16.372 8.125 22.762 1.00 88.05 69 A 1 ATOM 552 C CE . LYS A 1 69 ? -16.747 6.848 22.008 1.00 82.05 69 A 1 ATOM 553 N NZ . LYS A 1 69 ? -18.168 6.766 21.641 1.00 72.89 69 A 1 ATOM 554 N N . GLU A 1 70 ? -12.289 10.148 20.922 1.00 95.84 70 A 1 ATOM 555 C CA . GLU A 1 70 ? -11.782 10.035 19.545 1.00 95.08 70 A 1 ATOM 556 C C . GLU A 1 70 ? -10.278 9.762 19.531 1.00 95.49 70 A 1 ATOM 557 O O . GLU A 1 70 ? -9.817 8.873 18.820 1.00 95.34 70 A 1 ATOM 558 C CB . GLU A 1 70 ? -12.068 11.337 18.788 1.00 94.68 70 A 1 ATOM 559 C CG . GLU A 1 70 ? -13.563 11.535 18.483 1.00 90.62 70 A 1 ATOM 560 C CD . GLU A 1 70 ? -13.927 12.999 18.200 1.00 89.84 70 A 1 ATOM 561 O OE1 . GLU A 1 70 ? -14.871 13.235 17.428 1.00 82.64 70 A 1 ATOM 562 O OE2 . GLU A 1 70 ? -13.351 13.876 18.896 1.00 84.63 70 A 1 ATOM 563 N N . TYR A 1 71 ? -9.510 10.472 20.367 1.00 95.31 71 A 1 ATOM 564 C CA . TYR A 1 71 ? -8.077 10.224 20.495 1.00 95.18 71 A 1 ATOM 565 C C . TYR A 1 71 ? -7.776 8.789 20.948 1.00 95.20 71 A 1 ATOM 566 O O . TYR A 1 71 ? -6.880 8.154 20.403 1.00 95.90 71 A 1 ATOM 567 C CB . TYR A 1 71 ? -7.461 11.239 21.462 1.00 95.31 71 A 1 ATOM 568 C CG . TYR A 1 71 ? -5.999 10.960 21.767 1.00 94.70 71 A 1 ATOM 569 C CD1 . TYR A 1 71 ? -5.631 10.418 23.015 1.00 92.09 71 A 1 ATOM 570 C CD2 . TYR A 1 71 ? -5.015 11.178 20.783 1.00 93.00 71 A 1 ATOM 571 C CE1 . TYR A 1 71 ? -4.284 10.104 23.281 1.00 91.75 71 A 1 ATOM 572 C CE2 . TYR A 1 71 ? -3.666 10.861 21.045 1.00 91.98 71 A 1 ATOM 573 C CZ . TYR A 1 71 ? -3.302 10.324 22.297 1.00 92.24 71 A 1 ATOM 574 O OH . TYR A 1 71 ? -2.001 10.014 22.564 1.00 90.60 71 A 1 ATOM 575 N N . ALA A 1 72 ? -8.512 8.260 21.931 1.00 96.36 72 A 1 ATOM 576 C CA . ALA A 1 72 ? -8.305 6.889 22.405 1.00 96.36 72 A 1 ATOM 577 C C . ALA A 1 72 ? -8.589 5.847 21.309 1.00 96.19 72 A 1 ATOM 578 O O . ALA A 1 72 ? -7.793 4.928 21.134 1.00 95.93 72 A 1 ATOM 579 C CB . ALA A 1 72 ? -9.162 6.656 23.653 1.00 96.68 72 A 1 ATOM 580 N N . GLU A 1 73 ? -9.669 6.020 20.547 1.00 96.07 73 A 1 ATOM 581 C CA . GLU A 1 73 ? -10.043 5.132 19.434 1.00 95.33 73 A 1 ATOM 582 C C . GLU A 1 73 ? -8.995 5.170 18.309 1.00 94.94 73 A 1 ATOM 583 O O . GLU A 1 73 ? -8.496 4.128 17.884 1.00 94.42 73 A 1 ATOM 584 C CB . GLU A 1 73 ? -11.442 5.523 18.908 1.00 95.56 73 A 1 ATOM 585 C CG . GLU A 1 73 ? -12.569 5.165 19.896 1.00 89.12 73 A 1 ATOM 586 C CD . GLU A 1 73 ? -13.976 5.673 19.499 1.00 87.28 73 A 1 ATOM 587 O OE1 . GLU A 1 73 ? -14.945 5.343 20.233 1.00 81.01 73 A 1 ATOM 588 O OE2 . GLU A 1 73 ? -14.122 6.444 18.529 1.00 82.96 73 A 1 ATOM 589 N N . LEU A 1 74 ? -8.590 6.371 17.870 1.00 95.09 74 A 1 ATOM 590 C CA . LEU A 1 74 ? -7.576 6.526 16.821 1.00 94.26 74 A 1 ATOM 591 C C . LEU A 1 74 ? -6.207 5.997 17.251 1.00 94.49 74 A 1 ATOM 592 O O . LEU A 1 74 ? -5.489 5.407 16.446 1.00 94.33 74 A 1 ATOM 593 C CB . LEU A 1 74 ? -7.464 8.007 16.430 1.00 93.46 74 A 1 ATOM 594 C CG . LEU A 1 74 ? -8.667 8.554 15.645 1.00 90.04 74 A 1 ATOM 595 C CD1 . LEU A 1 74 ? -8.501 10.059 15.460 1.00 87.45 74 A 1 ATOM 596 C CD2 . LEU A 1 74 ? -8.791 7.918 14.258 1.00 87.20 74 A 1 ATOM 597 N N . LYS A 1 75 ? -5.846 6.180 18.517 1.00 95.17 75 A 1 ATOM 598 C CA . LYS A 1 75 ? -4.595 5.651 19.057 1.00 95.22 75 A 1 ATOM 599 C C . LYS A 1 75 ? -4.574 4.122 19.055 1.00 95.38 75 A 1 ATOM 600 O O . LYS A 1 75 ? -3.561 3.548 18.672 1.00 95.73 75 A 1 ATOM 601 C CB . LYS A 1 75 ? -4.365 6.242 20.451 1.00 95.24 75 A 1 ATOM 602 C CG . LYS A 1 75 ? -3.029 5.765 21.012 1.00 93.33 75 A 1 ATOM 603 C CD . LYS A 1 75 ? -2.750 6.399 22.375 1.00 90.27 75 A 1 ATOM 604 C CE . LYS A 1 75 ? -1.461 5.758 22.862 1.00 85.81 75 A 1 ATOM 605 N NZ . LYS A 1 75 ? -1.068 6.243 24.197 1.00 78.24 75 A 1 ATOM 606 N N . GLU A 1 76 ? -5.666 3.476 19.451 1.00 95.87 76 A 1 ATOM 607 C CA . GLU A 1 76 ? -5.774 2.010 19.426 1.00 95.77 76 A 1 ATOM 608 C C . GLU A 1 76 ? -5.636 1.459 18.000 1.00 95.49 76 A 1 ATOM 609 O O . GLU A 1 76 ? -4.878 0.515 17.773 1.00 95.02 76 A 1 ATOM 610 C CB . GLU A 1 76 ? -7.108 1.594 20.071 1.00 96.15 76 A 1 ATOM 611 C CG . GLU A 1 76 ? -7.262 0.064 20.171 1.00 86.59 76 A 1 ATOM 612 C CD . GLU A 1 76 ? -8.565 -0.394 20.862 1.00 84.37 76 A 1 ATOM 613 O OE1 . GLU A 1 76 ? -8.779 -1.625 20.921 1.00 77.54 76 A 1 ATOM 614 O OE2 . GLU A 1 76 ? -9.332 0.462 21.356 1.00 80.99 76 A 1 ATOM 615 N N . ILE A 1 77 ? -6.306 2.094 17.020 1.00 95.10 77 A 1 ATOM 616 C CA . ILE A 1 77 ? -6.183 1.739 15.597 1.00 94.46 77 A 1 ATOM 617 C C . ILE A 1 77 ? -4.731 1.899 15.140 1.00 94.83 77 A 1 ATOM 618 O O . ILE A 1 77 ? -4.131 0.944 14.651 1.00 94.53 77 A 1 ATOM 619 C CB . ILE A 1 77 ? -7.161 2.578 14.742 1.00 94.10 77 A 1 ATOM 620 C CG1 . ILE A 1 77 ? -8.625 2.203 15.082 1.00 92.37 77 A 1 ATOM 621 C CG2 . ILE A 1 77 ? -6.899 2.367 13.240 1.00 92.57 77 A 1 ATOM 622 C CD1 . ILE A 1 77 ? -9.661 3.199 14.539 1.00 87.87 77 A 1 ATOM 623 N N . TYR A 1 78 ? -4.128 3.061 15.379 1.00 93.81 78 A 1 ATOM 624 C CA . TYR A 1 78 ? -2.750 3.348 14.984 1.00 93.96 78 A 1 ATOM 625 C C . TYR A 1 78 ? -1.737 2.366 15.592 1.00 94.49 78 A 1 ATOM 626 O O . TYR A 1 78 ? -0.829 1.895 14.908 1.00 94.91 78 A 1 ATOM 627 C CB . TYR A 1 78 ? -2.425 4.789 15.390 1.00 94.29 78 A 1 ATOM 628 C CG . TYR A 1 78 ? -1.016 5.216 15.043 1.00 94.06 78 A 1 ATOM 629 C CD1 . TYR A 1 78 ? -0.035 5.318 16.048 1.00 91.44 78 A 1 ATOM 630 C CD2 . TYR A 1 78 ? -0.686 5.492 13.704 1.00 92.22 78 A 1 ATOM 631 C CE1 . TYR A 1 78 ? 1.274 5.709 15.713 1.00 91.19 78 A 1 ATOM 632 C CE2 . TYR A 1 78 ? 0.622 5.878 13.362 1.00 91.57 78 A 1 ATOM 633 C CZ . TYR A 1 78 ? 1.603 5.990 14.369 1.00 92.20 78 A 1 ATOM 634 O OH . TYR A 1 78 ? 2.869 6.367 14.040 1.00 90.51 78 A 1 ATOM 635 N N . GLU A 1 79 ? -1.874 2.019 16.873 1.00 95.33 79 A 1 ATOM 636 C CA . GLU A 1 79 ? -0.997 1.035 17.523 1.00 95.56 79 A 1 ATOM 637 C C . GLU A 1 79 ? -1.141 -0.357 16.900 1.00 95.44 79 A 1 ATOM 638 O O . GLU A 1 79 ? -0.138 -1.045 16.701 1.00 95.00 79 A 1 ATOM 639 C CB . GLU A 1 79 ? -1.268 0.994 19.041 1.00 95.82 79 A 1 ATOM 640 C CG . GLU A 1 79 ? -0.670 2.213 19.773 1.00 93.62 79 A 1 ATOM 641 C CD . GLU A 1 79 ? -0.945 2.252 21.291 1.00 91.61 79 A 1 ATOM 642 O OE1 . GLU A 1 79 ? -0.406 3.172 21.958 1.00 85.68 79 A 1 ATOM 643 O OE2 . GLU A 1 79 ? -1.678 1.390 21.821 1.00 86.72 79 A 1 ATOM 644 N N . LYS A 1 80 ? -2.358 -0.761 16.545 1.00 95.62 80 A 1 ATOM 645 C CA . LYS A 1 80 ? -2.616 -2.025 15.844 1.00 94.89 80 A 1 ATOM 646 C C . LYS A 1 80 ? -1.975 -2.035 14.453 1.00 95.04 80 A 1 ATOM 647 O O . LYS A 1 80 ? -1.290 -2.997 14.113 1.00 94.54 80 A 1 ATOM 648 C CB . LYS A 1 80 ? -4.129 -2.250 15.778 1.00 94.42 80 A 1 ATOM 649 C CG . LYS A 1 80 ? -4.477 -3.595 15.131 1.00 84.83 80 A 1 ATOM 650 C CD . LYS A 1 80 ? -5.974 -3.666 14.845 1.00 83.02 80 A 1 ATOM 651 C CE . LYS A 1 80 ? -6.248 -4.898 13.985 1.00 75.25 80 A 1 ATOM 652 N NZ . LYS A 1 80 ? -7.561 -4.781 13.301 1.00 67.90 80 A 1 ATOM 653 N N . ASP A 1 81 ? -2.148 -0.960 13.687 1.00 94.30 81 A 1 ATOM 654 C CA . ASP A 1 81 ? -1.566 -0.819 12.348 1.00 94.00 81 A 1 ATOM 655 C C . ASP A 1 81 ? -0.035 -0.884 12.406 1.00 94.39 81 A 1 ATOM 656 O O . ASP A 1 81 ? 0.600 -1.584 11.618 1.00 94.14 81 A 1 ATOM 657 C CB . ASP A 1 81 ? -2.019 0.511 11.723 1.00 94.11 81 A 1 ATOM 658 C CG . ASP A 1 81 ? -3.522 0.592 11.427 1.00 92.58 81 A 1 ATOM 659 O OD1 . ASP A 1 81 ? -4.201 -0.455 11.459 1.00 89.69 81 A 1 ATOM 660 O OD2 . ASP A 1 81 ? -3.974 1.732 11.178 1.00 89.69 81 A 1 ATOM 661 N N . LEU A 1 82 ? 0.589 -0.245 13.404 1.00 93.92 82 A 1 ATOM 662 C CA . LEU A 1 82 ? 2.034 -0.342 13.616 1.00 93.57 82 A 1 ATOM 663 C C . LEU A 1 82 ? 2.508 -1.774 13.897 1.00 93.92 82 A 1 ATOM 664 O O . LEU A 1 82 ? 3.606 -2.140 13.471 1.00 93.57 82 A 1 ATOM 665 C CB . LEU A 1 82 ? 2.466 0.566 14.776 1.00 92.94 82 A 1 ATOM 666 C CG . LEU A 1 82 ? 2.480 2.077 14.492 1.00 89.51 82 A 1 ATOM 667 C CD1 . LEU A 1 82 ? 2.980 2.774 15.759 1.00 86.22 82 A 1 ATOM 668 C CD2 . LEU A 1 82 ? 3.404 2.461 13.336 1.00 85.68 82 A 1 ATOM 669 N N . GLU A 1 83 ? 1.744 -2.582 14.632 1.00 95.13 83 A 1 ATOM 670 C CA . GLU A 1 83 ? 2.089 -3.994 14.848 1.00 95.30 83 A 1 ATOM 671 C C . GLU A 1 83 ? 1.975 -4.807 13.555 1.00 95.38 83 A 1 ATOM 672 O O . GLU A 1 83 ? 2.852 -5.626 13.275 1.00 94.34 83 A 1 ATOM 673 C CB . GLU A 1 83 ? 1.240 -4.629 15.957 1.00 95.13 83 A 1 ATOM 674 C CG . GLU A 1 83 ? 1.502 -4.096 17.377 1.00 88.88 83 A 1 ATOM 675 C CD . GLU A 1 83 ? 2.973 -4.168 17.823 1.00 84.60 83 A 1 ATOM 676 O OE1 . GLU A 1 83 ? 3.451 -3.235 18.503 1.00 76.79 83 A 1 ATOM 677 O OE2 . GLU A 1 83 ? 3.721 -5.106 17.457 1.00 77.06 83 A 1 ATOM 678 N N . GLU A 1 84 ? 0.970 -4.544 12.733 1.00 93.37 84 A 1 ATOM 679 C CA . GLU A 1 84 ? 0.820 -5.185 11.421 1.00 92.45 84 A 1 ATOM 680 C C . GLU A 1 84 ? 1.973 -4.824 10.473 1.00 93.32 84 A 1 ATOM 681 O O . GLU A 1 84 ? 2.568 -5.706 9.836 1.00 92.19 84 A 1 ATOM 682 C CB . GLU A 1 84 ? -0.551 -4.817 10.837 1.00 90.93 84 A 1 ATOM 683 C CG . GLU A 1 84 ? -0.794 -5.543 9.508 1.00 80.31 84 A 1 ATOM 684 C CD . GLU A 1 84 ? -2.254 -5.495 9.031 1.00 77.13 84 A 1 ATOM 685 O OE1 . GLU A 1 84 ? -2.491 -6.101 7.963 1.00 69.88 84 A 1 ATOM 686 O OE2 . GLU A 1 84 ? -3.114 -4.985 9.780 1.00 69.94 84 A 1 ATOM 687 N N . LEU A 1 85 ? 2.379 -3.553 10.447 1.00 94.28 85 A 1 ATOM 688 C CA . LEU A 1 85 ? 3.499 -3.088 9.623 1.00 94.78 85 A 1 ATOM 689 C C . LEU A 1 85 ? 4.846 -3.735 9.990 1.00 95.44 85 A 1 ATOM 690 O O . LEU A 1 85 ? 5.737 -3.803 9.145 1.00 94.89 85 A 1 ATOM 691 C CB . LEU A 1 85 ? 3.601 -1.555 9.723 1.00 94.65 85 A 1 ATOM 692 C CG . LEU A 1 85 ? 2.453 -0.777 9.055 1.00 93.25 85 A 1 ATOM 693 C CD1 . LEU A 1 85 ? 2.639 0.715 9.337 1.00 91.11 85 A 1 ATOM 694 C CD2 . LEU A 1 85 ? 2.397 -0.984 7.546 1.00 91.78 85 A 1 ATOM 695 N N . LYS A 1 86 ? 5.025 -4.227 11.220 1.00 95.57 86 A 1 ATOM 696 C CA . LYS A 1 86 ? 6.262 -4.929 11.624 1.00 95.59 86 A 1 ATOM 697 C C . LYS A 1 86 ? 6.409 -6.310 10.992 1.00 95.80 86 A 1 ATOM 698 O O . LYS A 1 86 ? 7.532 -6.804 10.885 1.00 95.18 86 A 1 ATOM 699 C CB . LYS A 1 86 ? 6.305 -5.094 13.148 1.00 95.42 86 A 1 ATOM 700 C CG . LYS A 1 86 ? 6.542 -3.776 13.892 1.00 93.76 86 A 1 ATOM 701 C CD . LYS A 1 86 ? 6.338 -4.017 15.388 1.00 90.81 86 A 1 ATOM 702 C CE . LYS A 1 86 ? 6.256 -2.699 16.147 1.00 87.46 86 A 1 ATOM 703 N NZ . LYS A 1 86 ? 5.838 -2.954 17.546 1.00 80.34 86 A 1 ATOM 704 N N . ILE A 1 87 ? 5.300 -6.950 10.645 1.00 95.34 87 A 1 ATOM 705 C CA . ILE A 1 87 ? 5.266 -8.326 10.136 1.00 95.16 87 A 1 ATOM 706 C C . ILE A 1 87 ? 4.918 -8.402 8.651 1.00 95.31 87 A 1 ATOM 707 O O . ILE A 1 87 ? 4.990 -9.479 8.060 1.00 93.57 87 A 1 ATOM 708 C CB . ILE A 1 87 ? 4.338 -9.209 10.996 1.00 94.48 87 A 1 ATOM 709 C CG1 . ILE A 1 87 ? 2.869 -8.720 10.959 1.00 90.84 87 A 1 ATOM 710 C CG2 . ILE A 1 87 ? 4.868 -9.276 12.442 1.00 88.73 87 A 1 ATOM 711 C CD1 . ILE A 1 87 ? 1.872 -9.707 11.575 1.00 85.61 87 A 1 ATOM 712 N N . THR A 1 88 ? 4.565 -7.270 8.041 1.00 94.53 88 A 1 ATOM 713 C CA . THR A 1 88 ? 4.222 -7.166 6.623 1.00 94.24 88 A 1 ATOM 714 C C . THR A 1 88 ? 5.282 -6.380 5.863 1.00 95.11 88 A 1 ATOM 715 O O . THR A 1 88 ? 5.930 -5.473 6.386 1.00 94.41 88 A 1 ATOM 716 C CB . THR A 1 88 ? 2.834 -6.546 6.412 1.00 92.84 88 A 1 ATOM 717 O OG1 . THR A 1 88 ? 2.777 -5.271 6.992 1.00 87.23 88 A 1 ATOM 718 C CG2 . THR A 1 88 ? 1.723 -7.406 7.004 1.00 85.23 88 A 1 ATOM 719 N N . LYS A 1 89 ? 5.480 -6.710 4.596 1.00 95.49 89 A 1 ATOM 720 C CA . LYS A 1 89 ? 6.239 -5.839 3.703 1.00 95.80 89 A 1 ATOM 721 C C . LYS A 1 89 ? 5.364 -4.637 3.365 1.00 96.35 89 A 1 ATOM 722 O O . LYS A 1 89 ? 4.262 -4.802 2.858 1.00 96.03 89 A 1 ATOM 723 C CB . LYS A 1 89 ? 6.693 -6.609 2.460 1.00 95.04 89 A 1 ATOM 724 C CG . LYS A 1 89 ? 7.585 -5.719 1.582 1.00 91.73 89 A 1 ATOM 725 C CD . LYS A 1 89 ? 8.098 -6.499 0.374 1.00 88.25 89 A 1 ATOM 726 C CE . LYS A 1 89 ? 8.928 -5.561 -0.501 1.00 83.06 89 A 1 ATOM 727 N NZ . LYS A 1 89 ? 9.320 -6.218 -1.763 1.00 74.59 89 A 1 ATOM 728 N N . ASN A 1 90 ? 5.870 -3.432 3.614 1.00 96.94 90 A 1 ATOM 729 C CA . ASN A 1 90 ? 5.123 -2.205 3.363 1.00 97.05 90 A 1 ATOM 730 C C . ASN A 1 90 ? 6.006 -1.121 2.748 1.00 97.12 90 A 1 ATOM 731 O O . ASN A 1 90 ? 7.240 -1.189 2.779 1.00 96.49 90 A 1 ATOM 732 C CB . ASN A 1 90 ? 4.427 -1.756 4.660 1.00 96.33 90 A 1 ATOM 733 C CG . ASN A 1 90 ? 5.406 -1.454 5.770 1.00 95.65 90 A 1 ATOM 734 O OD1 . ASN A 1 90 ? 6.014 -0.396 5.814 1.00 88.73 90 A 1 ATOM 735 N ND2 . ASN A 1 90 ? 5.619 -2.386 6.671 1.00 89.57 90 A 1 ATOM 736 N N . LYS A 1 91 ? 5.354 -0.111 2.165 1.00 97.25 91 A 1 ATOM 737 C CA . LYS A 1 91 ? 6.003 1.060 1.579 1.00 96.80 91 A 1 ATOM 738 C C . LYS A 1 91 ? 5.182 2.312 1.863 1.00 97.29 91 A 1 ATOM 739 O O . LYS A 1 91 ? 4.014 2.382 1.497 1.00 96.90 91 A 1 ATOM 740 C CB . LYS A 1 91 ? 6.191 0.825 0.074 1.00 95.15 91 A 1 ATOM 741 C CG . LYS A 1 91 ? 6.939 1.990 -0.587 1.00 84.01 91 A 1 ATOM 742 C CD . LYS A 1 91 ? 7.076 1.764 -2.089 1.00 82.34 91 A 1 ATOM 743 C CE . LYS A 1 91 ? 7.704 3.006 -2.720 1.00 72.75 91 A 1 ATOM 744 N NZ . LYS A 1 91 ? 7.634 2.947 -4.198 1.00 65.21 91 A 1 ATOM 745 N N . GLN A 1 92 ? 5.832 3.324 2.444 1.00 97.04 92 A 1 ATOM 746 C CA . GLN A 1 92 ? 5.208 4.636 2.616 1.00 96.94 92 A 1 ATOM 747 C C . GLN A 1 92 ? 5.095 5.356 1.269 1.00 97.00 92 A 1 ATOM 748 O O . GLN A 1 92 ? 6.044 5.369 0.478 1.00 96.63 92 A 1 ATOM 749 C CB . GLN A 1 92 ? 6.001 5.457 3.638 1.00 96.04 92 A 1 ATOM 750 C CG . GLN A 1 92 ? 5.192 6.660 4.156 1.00 92.94 92 A 1 ATOM 751 C CD . GLN A 1 92 ? 5.959 7.468 5.198 1.00 90.90 92 A 1 ATOM 752 O OE1 . GLN A 1 92 ? 7.177 7.576 5.175 1.00 84.53 92 A 1 ATOM 753 N NE2 . GLN A 1 92 ? 5.289 8.082 6.142 1.00 81.45 92 A 1 ATOM 754 N N . MET A 1 93 ? 3.930 5.956 1.030 1.00 97.44 93 A 1 ATOM 755 C CA . MET A 1 93 ? 3.616 6.795 -0.127 1.00 97.58 93 A 1 ATOM 756 C C . MET A 1 93 ? 2.422 7.701 0.188 1.00 97.76 93 A 1 ATOM 757 O O . MET A 1 93 ? 1.847 7.598 1.269 1.00 97.39 93 A 1 ATOM 758 C CB . MET A 1 93 ? 3.361 5.903 -1.350 1.00 97.00 93 A 1 ATOM 759 C CG . MET A 1 93 ? 2.140 4.978 -1.247 1.00 95.88 93 A 1 ATOM 760 S SD . MET A 1 93 ? 2.069 3.797 -2.629 1.00 95.85 93 A 1 ATOM 761 C CE . MET A 1 93 ? 3.314 2.606 -2.101 1.00 92.58 93 A 1 ATOM 762 N N . ASN A 1 94 ? 2.048 8.599 -0.726 1.00 97.70 94 A 1 ATOM 763 C CA . ASN A 1 94 ? 0.798 9.348 -0.591 1.00 97.87 94 A 1 ATOM 764 C C . ASN A 1 94 ? -0.365 8.662 -1.333 1.00 98.19 94 A 1 ATOM 765 O O . ASN A 1 94 ? -0.150 7.789 -2.182 1.00 98.22 94 A 1 ATOM 766 C CB . ASN A 1 94 ? 1.027 10.815 -1.000 1.00 97.61 94 A 1 ATOM 767 C CG . ASN A 1 94 ? 1.391 10.988 -2.455 1.00 97.41 94 A 1 ATOM 768 O OD1 . ASN A 1 94 ? 0.658 10.628 -3.362 1.00 93.81 94 A 1 ATOM 769 N ND2 . ASN A 1 94 ? 2.544 11.543 -2.730 1.00 93.66 94 A 1 ATOM 770 N N . LEU A 1 95 ? -1.599 9.079 -1.040 1.00 97.45 95 A 1 ATOM 771 C CA . LEU A 1 95 ? -2.809 8.499 -1.640 1.00 97.70 95 A 1 ATOM 772 C C . LEU A 1 95 ? -2.845 8.619 -3.177 1.00 97.99 95 A 1 ATOM 773 O O . LEU A 1 95 ? -3.263 7.679 -3.848 1.00 98.09 95 A 1 ATOM 774 C CB . LEU A 1 95 ? -4.054 9.157 -1.024 1.00 97.44 95 A 1 ATOM 775 C CG . LEU A 1 95 ? -4.381 8.743 0.423 1.00 96.41 95 A 1 ATOM 776 C CD1 . LEU A 1 95 ? -5.554 9.588 0.932 1.00 95.60 95 A 1 ATOM 777 C CD2 . LEU A 1 95 ? -4.789 7.273 0.524 1.00 95.78 95 A 1 ATOM 778 N N . ASN A 1 96 ? -2.341 9.711 -3.764 1.00 98.30 96 A 1 ATOM 779 C CA . ASN A 1 96 ? -2.275 9.848 -5.229 1.00 98.25 96 A 1 ATOM 780 C C . ASN A 1 96 ? -1.316 8.826 -5.864 1.00 98.21 96 A 1 ATOM 781 O O . ASN A 1 96 ? -1.594 8.275 -6.932 1.00 98.03 96 A 1 ATOM 782 C CB . ASN A 1 96 ? -1.820 11.270 -5.598 1.00 98.06 96 A 1 ATOM 783 C CG . ASN A 1 96 ? -2.886 12.335 -5.440 1.00 96.80 96 A 1 ATOM 784 O OD1 . ASN A 1 96 ? -4.070 12.124 -5.614 1.00 91.99 96 A 1 ATOM 785 N ND2 . ASN A 1 96 ? -2.487 13.555 -5.164 1.00 91.47 96 A 1 ATOM 786 N N . GLU A 1 97 ? -0.165 8.570 -5.224 1.00 98.08 97 A 1 ATOM 787 C CA . GLU A 1 97 ? 0.783 7.540 -5.661 1.00 97.81 97 A 1 ATOM 788 C C . GLU A 1 97 ? 0.171 6.144 -5.524 1.00 97.56 97 A 1 ATOM 789 O O . GLU A 1 97 ? 0.267 5.349 -6.468 1.00 96.88 97 A 1 ATOM 790 C CB . GLU A 1 97 ? 2.079 7.622 -4.841 1.00 97.53 97 A 1 ATOM 791 C CG . GLU A 1 97 ? 2.921 8.863 -5.179 1.00 93.49 97 A 1 ATOM 792 C CD . GLU A 1 97 ? 4.117 9.023 -4.228 1.00 91.35 97 A 1 ATOM 793 O OE1 . GLU A 1 97 ? 5.224 9.314 -4.737 1.00 82.73 97 A 1 ATOM 794 O OE2 . GLU A 1 97 ? 3.926 8.884 -2.999 1.00 84.07 97 A 1 ATOM 795 N N . LEU A 1 98 ? -0.488 5.868 -4.397 1.00 97.96 98 A 1 ATOM 796 C CA . LEU A 1 98 ? -1.184 4.606 -4.156 1.00 98.00 98 A 1 ATOM 797 C C . LEU A 1 98 ? -2.252 4.351 -5.225 1.00 97.79 98 A 1 ATOM 798 O O . LEU A 1 98 ? -2.203 3.311 -5.888 1.00 97.62 98 A 1 ATOM 799 C CB . LEU A 1 98 ? -1.766 4.615 -2.728 1.00 98.12 98 A 1 ATOM 800 C CG . LEU A 1 98 ? -2.569 3.350 -2.374 1.00 97.67 98 A 1 ATOM 801 C CD1 . LEU A 1 98 ? -1.742 2.076 -2.521 1.00 96.96 98 A 1 ATOM 802 C CD2 . LEU A 1 98 ? -3.058 3.434 -0.932 1.00 97.15 98 A 1 ATOM 803 N N . LEU A 1 99 ? -3.131 5.319 -5.476 1.00 97.98 99 A 1 ATOM 804 C CA . LEU A 1 99 ? -4.174 5.227 -6.502 1.00 97.74 99 A 1 ATOM 805 C C . LEU A 1 99 ? -3.588 4.925 -7.887 1.00 97.21 99 A 1 ATOM 806 O O . LEU A 1 99 ? -4.084 4.063 -8.617 1.00 97.00 99 A 1 ATOM 807 C CB . LEU A 1 99 ? -4.970 6.547 -6.517 1.00 97.84 99 A 1 ATOM 808 C CG . LEU A 1 99 ? -6.110 6.581 -7.556 1.00 97.36 99 A 1 ATOM 809 C CD1 . LEU A 1 99 ? -7.136 5.471 -7.327 1.00 96.34 99 A 1 ATOM 810 C CD2 . LEU A 1 99 ? -6.834 7.923 -7.495 1.00 96.40 99 A 1 ATOM 811 N N . SER A 1 100 ? -2.487 5.604 -8.241 1.00 97.44 100 A 1 ATOM 812 C CA . SER A 1 100 ? -1.804 5.382 -9.523 1.00 96.92 100 A 1 ATOM 813 C C . SER A 1 100 ? -1.288 3.945 -9.665 1.00 96.38 100 A 1 ATOM 814 O O . SER A 1 100 ? -1.406 3.343 -10.734 1.00 95.41 100 A 1 ATOM 815 C CB . SER A 1 100 ? -0.627 6.352 -9.677 1.00 96.54 100 A 1 ATOM 816 O OG . SER A 1 100 ? -1.072 7.694 -9.692 1.00 83.72 100 A 1 ATOM 817 N N . ILE A 1 101 ? -0.720 3.378 -8.591 1.00 96.37 101 A 1 ATOM 818 C CA . ILE A 1 101 ? -0.204 2.002 -8.588 1.00 95.91 101 A 1 ATOM 819 C C . ILE A 1 101 ? -1.354 0.990 -8.651 1.00 95.72 101 A 1 ATOM 820 O O . ILE A 1 101 ? -1.300 0.073 -9.473 1.00 95.01 101 A 1 ATOM 821 C CB . ILE A 1 101 ? 0.717 1.768 -7.369 1.00 95.64 101 A 1 ATOM 822 C CG1 . ILE A 1 101 ? 1.985 2.650 -7.462 1.00 94.87 101 A 1 ATOM 823 C CG2 . ILE A 1 101 ? 1.136 0.286 -7.290 1.00 94.50 101 A 1 ATOM 824 C CD1 . ILE A 1 101 ? 2.760 2.749 -6.147 1.00 91.98 101 A 1 ATOM 825 N N . LEU A 1 102 ? -2.401 1.177 -7.849 1.00 96.08 102 A 1 ATOM 826 C CA . LEU A 1 102 ? -3.571 0.294 -7.830 1.00 96.25 102 A 1 ATOM 827 C C . LEU A 1 102 ? -4.294 0.281 -9.181 1.00 95.84 102 A 1 ATOM 828 O O . LEU A 1 102 ? -4.628 -0.785 -9.693 1.00 95.66 102 A 1 ATOM 829 C CB . LEU A 1 102 ? -4.531 0.737 -6.718 1.00 96.87 102 A 1 ATOM 830 C CG . LEU A 1 102 ? -4.023 0.513 -5.286 1.00 96.50 102 A 1 ATOM 831 C CD1 . LEU A 1 102 ? -5.053 1.091 -4.317 1.00 96.19 102 A 1 ATOM 832 C CD2 . LEU A 1 102 ? -3.819 -0.964 -4.960 1.00 96.18 102 A 1 ATOM 833 N N . THR A 1 103 ? -4.427 1.442 -9.837 1.00 95.62 103 A 1 ATOM 834 C CA . THR A 1 103 ? -5.003 1.531 -11.190 1.00 95.17 103 A 1 ATOM 835 C C . THR A 1 103 ? -4.211 0.689 -12.199 1.00 94.56 103 A 1 ATOM 836 O O . THR A 1 103 ? -4.786 0.021 -13.062 1.00 93.27 103 A 1 ATOM 837 C CB . THR A 1 103 ? -5.041 2.991 -11.665 1.00 95.02 103 A 1 ATOM 838 O OG1 . THR A 1 103 ? -5.770 3.792 -10.775 1.00 92.87 103 A 1 ATOM 839 C CG2 . THR A 1 103 ? -5.720 3.144 -13.030 1.00 91.74 103 A 1 ATOM 840 N N . ILE A 1 104 ? -2.871 0.680 -12.095 1.00 93.87 104 A 1 ATOM 841 C CA . ILE A 1 104 ? -2.004 -0.158 -12.935 1.00 93.35 104 A 1 ATOM 842 C C . ILE A 1 104 ? -2.158 -1.639 -12.567 1.00 93.06 104 A 1 ATOM 843 O O . ILE A 1 104 ? -2.222 -2.482 -13.464 1.00 91.87 104 A 1 ATOM 844 C CB . ILE A 1 104 ? -0.535 0.318 -12.835 1.00 92.72 104 A 1 ATOM 845 C CG1 . ILE A 1 104 ? -0.380 1.710 -13.490 1.00 91.20 104 A 1 ATOM 846 C CG2 . ILE A 1 104 ? 0.435 -0.682 -13.495 1.00 90.98 104 A 1 ATOM 847 C CD1 . ILE A 1 104 ? 0.949 2.403 -13.155 1.00 86.15 104 A 1 ATOM 848 N N . GLN A 1 105 ? -2.210 -1.955 -11.271 1.00 93.59 105 A 1 ATOM 849 C CA . GLN A 1 105 ? -2.395 -3.310 -10.752 1.00 93.75 105 A 1 ATOM 850 C C . GLN A 1 105 ? -3.718 -3.941 -11.226 1.00 93.24 105 A 1 ATOM 851 O O . GLN A 1 105 ? -3.737 -5.125 -11.584 1.00 91.89 105 A 1 ATOM 852 C CB . GLN A 1 105 ? -2.330 -3.240 -9.220 1.00 93.54 105 A 1 ATOM 853 C CG . GLN A 1 105 ? -2.480 -4.608 -8.559 1.00 92.40 105 A 1 ATOM 854 C CD . GLN A 1 105 ? -2.291 -4.517 -7.057 1.00 92.92 105 A 1 ATOM 855 O OE1 . GLN A 1 105 ? -1.187 -4.313 -6.573 1.00 89.06 105 A 1 ATOM 856 N NE2 . GLN A 1 105 ? -3.339 -4.667 -6.278 1.00 88.69 105 A 1 ATOM 857 N N . ASN A 1 106 ? -4.777 -3.138 -11.291 1.00 92.61 106 A 1 ATOM 858 C CA . ASN A 1 106 ? -6.116 -3.562 -11.695 1.00 91.71 106 A 1 ATOM 859 C C . ASN A 1 106 ? -6.287 -3.754 -13.216 1.00 90.23 106 A 1 ATOM 860 O O . ASN A 1 106 ? -7.360 -4.133 -13.682 1.00 87.26 106 A 1 ATOM 861 C CB . ASN A 1 106 ? -7.116 -2.537 -11.125 1.00 91.67 106 A 1 ATOM 862 C CG . ASN A 1 106 ? -8.514 -3.109 -10.993 1.00 91.22 106 A 1 ATOM 863 O OD1 . ASN A 1 106 ? -8.709 -4.195 -10.486 1.00 86.67 106 A 1 ATOM 864 N ND2 . ASN A 1 106 ? -9.529 -2.402 -11.420 1.00 86.27 106 A 1 ATOM 865 N N . SER A 1 107 ? -5.262 -3.470 -14.032 1.00 89.36 107 A 1 ATOM 866 C CA . SER A 1 107 ? -5.368 -3.491 -15.499 1.00 86.68 107 A 1 ATOM 867 C C . SER A 1 107 ? -4.278 -4.332 -16.171 1.00 83.33 107 A 1 ATOM 868 O O . SER A 1 107 ? -3.092 -4.206 -15.867 1.00 76.62 107 A 1 ATOM 869 C CB . SER A 1 107 ? -5.333 -2.058 -16.035 1.00 83.03 107 A 1 ATOM 870 O OG . SER A 1 107 ? -5.556 -2.064 -17.433 1.00 71.98 107 A 1 ATOM 871 N N . ILE A 1 108 ? -4.659 -5.117 -17.176 1.00 71.06 108 A 1 ATOM 872 C CA . ILE A 1 108 ? -3.716 -5.862 -18.044 1.00 67.20 108 A 1 ATOM 873 C C . ILE A 1 108 ? -3.126 -4.967 -19.157 1.00 64.39 108 A 1 ATOM 874 O O . ILE A 1 108 ? -2.087 -5.289 -19.742 1.00 57.94 108 A 1 ATOM 875 C CB . ILE A 1 108 ? -4.412 -7.133 -18.609 1.00 62.25 108 A 1 ATOM 876 C CG1 . ILE A 1 108 ? -4.784 -8.091 -17.455 1.00 57.22 108 A 1 ATOM 877 C CG2 . ILE A 1 108 ? -3.540 -7.881 -19.634 1.00 55.46 108 A 1 ATOM 878 C CD1 . ILE A 1 108 ? -5.631 -9.302 -17.877 1.00 51.99 108 A 1 ATOM 879 N N . THR A 1 109 ? -3.767 -3.831 -19.457 1.00 60.76 109 A 1 ATOM 880 C CA . THR A 1 109 ? -3.387 -2.935 -20.569 1.00 58.56 109 A 1 ATOM 881 C C . THR A 1 109 ? -2.408 -1.834 -20.176 1.00 52.94 109 A 1 ATOM 882 O O . THR A 1 109 ? -2.637 -1.183 -19.136 1.00 47.18 109 A 1 ATOM 883 C CB . THR A 1 109 ? -4.609 -2.326 -21.256 1.00 52.11 109 A 1 ATOM 884 O OG1 . THR A 1 109 ? -5.428 -1.699 -20.310 1.00 47.58 109 A 1 ATOM 885 C CG2 . THR A 1 109 ? -5.431 -3.386 -21.990 1.00 48.01 109 A 1 ATOM 886 O OXT . THR A 1 109 ? -1.464 -1.626 -20.957 1.00 49.69 109 A 1 #