# 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_dsad1 # _entry.id dsad1 # 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 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 ILE 2 1 n GLU 3 1 n ILE 4 1 n PHE 5 1 n LYS 6 1 n ASP 7 1 n THR 8 1 n GLY 9 1 n ALA 10 1 n THR 11 1 n HIS 12 1 n ASP 13 1 n LEU 14 1 n VAL 15 1 n TYR 16 1 n HIS 17 1 n SER 18 1 n LYS 19 1 n ILE 20 1 n ASN 21 1 n THR 22 1 n PHE 23 1 n VAL 24 1 n TRP 25 1 n ASP 26 1 n VAL 27 1 n GLU 28 1 n PHE 29 1 n ASP 30 1 n ILE 31 1 n VAL 32 1 n LEU 33 1 n SER 34 1 n ASP 35 1 n SER 36 1 n LYS 37 1 n GLU 38 1 n LEU 39 1 n ASN 40 1 n LYS 41 1 n CYS 42 1 n TYR 43 1 n PHE 44 1 n VAL 45 1 n LYS 46 1 n CYS 47 1 n PHE 48 1 n ASN 49 1 n PRO 50 1 n TYR 51 1 n ARG 52 1 n ILE 53 1 n ASN 54 1 n GLY 55 1 n LYS 56 1 n CYS 57 1 n ASP 58 1 n PHE 59 1 n ALA 60 1 n VAL 61 1 n SER 62 1 n SER 63 1 n ILE 64 1 n ASP 65 1 n ILE 66 1 n PHE 67 1 n SER 68 1 n GLU 69 1 n GLY 70 1 n LYS 71 1 n ARG 72 1 n LEU 73 1 n LEU 74 1 n ILE 75 1 n GLU 76 1 n ASN 77 1 n GLU 78 1 n PHE 79 1 n ASN 80 1 n PHE 81 1 n LYS 82 1 n ILE 83 1 n THR 84 1 n LYS 85 1 n ALA 86 1 n VAL 87 1 n HIS 88 1 n VAL 89 1 n ALA 90 1 n THR 91 1 n SER 92 1 n LYS 93 1 n ASP 94 1 n VAL 95 1 n THR 96 1 n GLU 97 1 n ILE 98 1 n VAL 99 1 n LEU 100 1 n HIS 101 1 n LEU 102 1 n SER 103 1 n GLU 104 1 n ARG 105 1 n ILE 106 1 n SER 107 1 n SER 108 1 n PRO 109 1 n PHE 110 1 n PRO 111 1 n ILE 112 1 n VAL 113 1 n LYS 114 1 n GLU 115 1 n VAL 116 1 n VAL 117 1 n TYR 118 1 n LEU 119 1 n ASP 120 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-07 01:33:44)" _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 32.63 _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 20.53 1 1 A ILE 2 2 20.76 1 2 A GLU 3 2 22.03 1 3 A ILE 4 2 22.71 1 4 A PHE 5 2 24.52 1 5 A LYS 6 2 24.62 1 6 A ASP 7 2 27.80 1 7 A THR 8 2 26.94 1 8 A GLY 9 2 30.14 1 9 A ALA 10 2 28.76 1 10 A THR 11 2 27.44 1 11 A HIS 12 2 28.00 1 12 A ASP 13 2 35.36 1 13 A LEU 14 2 35.09 1 14 A VAL 15 2 39.35 1 15 A TYR 16 2 34.92 1 16 A HIS 17 2 36.44 1 17 A SER 18 2 38.03 1 18 A LYS 19 2 36.92 1 19 A ILE 20 2 37.55 1 20 A ASN 21 2 37.42 1 21 A THR 22 2 36.83 1 22 A PHE 23 2 34.12 1 23 A VAL 24 2 35.78 1 24 A TRP 25 2 29.25 1 25 A ASP 26 2 34.22 1 26 A VAL 27 2 29.63 1 27 A GLU 28 2 29.80 1 28 A PHE 29 2 30.43 1 29 A ASP 30 2 35.84 1 30 A ILE 31 2 35.42 1 31 A VAL 32 2 36.82 1 32 A LEU 33 2 34.48 1 33 A SER 34 2 36.51 1 34 A ASP 35 2 35.52 1 35 A SER 36 2 35.07 1 36 A LYS 37 2 31.96 1 37 A GLU 38 2 32.47 1 38 A LEU 39 2 31.51 1 39 A ASN 40 2 35.54 1 40 A LYS 41 2 36.72 1 41 A CYS 42 2 38.31 1 42 A TYR 43 2 35.38 1 43 A PHE 44 2 33.56 1 44 A VAL 45 2 36.38 1 45 A LYS 46 2 32.81 1 46 A CYS 47 2 31.35 1 47 A PHE 48 2 27.48 1 48 A ASN 49 2 28.90 1 49 A PRO 50 2 30.79 1 50 A TYR 51 2 26.19 1 51 A ARG 52 2 30.52 1 52 A ILE 53 2 33.20 1 53 A ASN 54 2 37.19 1 54 A GLY 55 2 35.11 1 55 A LYS 56 2 32.54 1 56 A CYS 57 2 31.58 1 57 A ASP 58 2 33.77 1 58 A PHE 59 2 31.27 1 59 A ALA 60 2 36.31 1 60 A VAL 61 2 35.10 1 61 A SER 62 2 38.86 1 62 A SER 63 2 38.08 1 63 A ILE 64 2 37.98 1 64 A ASP 65 2 37.76 1 65 A ILE 66 2 35.39 1 66 A PHE 67 2 31.48 1 67 A SER 68 2 38.82 1 68 A GLU 69 2 39.68 1 69 A GLY 70 2 41.08 1 70 A LYS 71 2 36.89 1 71 A ARG 72 2 40.75 1 72 A LEU 73 2 38.36 1 73 A LEU 74 2 36.31 1 74 A ILE 75 2 42.17 1 75 A GLU 76 2 41.71 1 76 A ASN 77 2 33.57 1 77 A GLU 78 2 30.36 1 78 A PHE 79 2 27.75 1 79 A ASN 80 2 31.98 1 80 A PHE 81 2 28.33 1 81 A LYS 82 2 26.83 1 82 A ILE 83 2 24.94 1 83 A THR 84 2 24.23 1 84 A LYS 85 2 24.08 1 85 A ALA 86 2 25.47 1 86 A VAL 87 2 27.86 1 87 A HIS 88 2 26.18 1 88 A VAL 89 2 33.39 1 89 A ALA 90 2 38.28 1 90 A THR 91 2 36.34 1 91 A SER 92 2 40.66 1 92 A LYS 93 2 44.57 1 93 A ASP 94 2 41.59 1 94 A VAL 95 2 41.49 1 95 A THR 96 2 43.52 1 96 A GLU 97 2 43.68 1 97 A ILE 98 2 41.07 1 98 A VAL 99 2 41.20 1 99 A LEU 100 2 47.35 1 100 A HIS 101 2 41.77 1 101 A LEU 102 2 38.55 1 102 A SER 103 2 42.45 1 103 A GLU 104 2 44.41 1 104 A ARG 105 2 36.74 1 105 A ILE 106 2 32.96 1 106 A SER 107 2 32.72 1 107 A SER 108 2 30.09 1 108 A PRO 109 2 29.51 1 109 A PHE 110 2 25.47 1 110 A PRO 111 2 27.23 1 111 A ILE 112 2 25.99 1 112 A VAL 113 2 25.38 1 113 A LYS 114 2 22.32 1 114 A GLU 115 2 21.55 1 115 A VAL 116 2 24.14 1 116 A VAL 117 2 21.65 1 117 A TYR 118 2 18.81 1 118 A LEU 119 2 19.75 1 119 A ASP 120 2 17.60 1 120 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n ILE . 2 A 2 A 3 1 n GLU . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n ASP . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n HIS . 12 A 12 A 13 1 n ASP . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n TYR . 16 A 16 A 17 1 n HIS . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n LYS . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n ASN . 21 A 21 A 22 1 n THR . 22 A 22 A 23 1 n PHE . 23 A 23 A 24 1 n VAL . 24 A 24 A 25 1 n TRP . 25 A 25 A 26 1 n ASP . 26 A 26 A 27 1 n VAL . 27 A 27 A 28 1 n GLU . 28 A 28 A 29 1 n PHE . 29 A 29 A 30 1 n ASP . 30 A 30 A 31 1 n ILE . 31 A 31 A 32 1 n VAL . 32 A 32 A 33 1 n LEU . 33 A 33 A 34 1 n SER . 34 A 34 A 35 1 n ASP . 35 A 35 A 36 1 n SER . 36 A 36 A 37 1 n LYS . 37 A 37 A 38 1 n GLU . 38 A 38 A 39 1 n LEU . 39 A 39 A 40 1 n ASN . 40 A 40 A 41 1 n LYS . 41 A 41 A 42 1 n CYS . 42 A 42 A 43 1 n TYR . 43 A 43 A 44 1 n PHE . 44 A 44 A 45 1 n VAL . 45 A 45 A 46 1 n LYS . 46 A 46 A 47 1 n CYS . 47 A 47 A 48 1 n PHE . 48 A 48 A 49 1 n ASN . 49 A 49 A 50 1 n PRO . 50 A 50 A 51 1 n TYR . 51 A 51 A 52 1 n ARG . 52 A 52 A 53 1 n ILE . 53 A 53 A 54 1 n ASN . 54 A 54 A 55 1 n GLY . 55 A 55 A 56 1 n LYS . 56 A 56 A 57 1 n CYS . 57 A 57 A 58 1 n ASP . 58 A 58 A 59 1 n PHE . 59 A 59 A 60 1 n ALA . 60 A 60 A 61 1 n VAL . 61 A 61 A 62 1 n SER . 62 A 62 A 63 1 n SER . 63 A 63 A 64 1 n ILE . 64 A 64 A 65 1 n ASP . 65 A 65 A 66 1 n ILE . 66 A 66 A 67 1 n PHE . 67 A 67 A 68 1 n SER . 68 A 68 A 69 1 n GLU . 69 A 69 A 70 1 n GLY . 70 A 70 A 71 1 n LYS . 71 A 71 A 72 1 n ARG . 72 A 72 A 73 1 n LEU . 73 A 73 A 74 1 n LEU . 74 A 74 A 75 1 n ILE . 75 A 75 A 76 1 n GLU . 76 A 76 A 77 1 n ASN . 77 A 77 A 78 1 n GLU . 78 A 78 A 79 1 n PHE . 79 A 79 A 80 1 n ASN . 80 A 80 A 81 1 n PHE . 81 A 81 A 82 1 n LYS . 82 A 82 A 83 1 n ILE . 83 A 83 A 84 1 n THR . 84 A 84 A 85 1 n LYS . 85 A 85 A 86 1 n ALA . 86 A 86 A 87 1 n VAL . 87 A 87 A 88 1 n HIS . 88 A 88 A 89 1 n VAL . 89 A 89 A 90 1 n ALA . 90 A 90 A 91 1 n THR . 91 A 91 A 92 1 n SER . 92 A 92 A 93 1 n LYS . 93 A 93 A 94 1 n ASP . 94 A 94 A 95 1 n VAL . 95 A 95 A 96 1 n THR . 96 A 96 A 97 1 n GLU . 97 A 97 A 98 1 n ILE . 98 A 98 A 99 1 n VAL . 99 A 99 A 100 1 n LEU . 100 A 100 A 101 1 n HIS . 101 A 101 A 102 1 n LEU . 102 A 102 A 103 1 n SER . 103 A 103 A 104 1 n GLU . 104 A 104 A 105 1 n ARG . 105 A 105 A 106 1 n ILE . 106 A 106 A 107 1 n SER . 107 A 107 A 108 1 n SER . 108 A 108 A 109 1 n PRO . 109 A 109 A 110 1 n PHE . 110 A 110 A 111 1 n PRO . 111 A 111 A 112 1 n ILE . 112 A 112 A 113 1 n VAL . 113 A 113 A 114 1 n LYS . 114 A 114 A 115 1 n GLU . 115 A 115 A 116 1 n VAL . 116 A 116 A 117 1 n VAL . 117 A 117 A 118 1 n TYR . 118 A 118 A 119 1 n LEU . 119 A 119 A 120 1 n ASP . 120 A 120 # _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 ? 2.443 8.838 18.768 1.00 20.23 1 A 1 ATOM 2 C CA . MET A 1 1 ? 2.854 10.054 18.031 1.00 22.34 1 A 1 ATOM 3 C C . MET A 1 1 ? 2.959 9.650 16.575 1.00 23.45 1 A 1 ATOM 4 O O . MET A 1 1 ? 3.789 8.803 16.278 1.00 23.23 1 A 1 ATOM 5 C CB . MET A 1 1 ? 4.181 10.589 18.598 1.00 21.47 1 A 1 ATOM 6 C CG . MET A 1 1 ? 4.568 11.968 18.056 1.00 19.27 1 A 1 ATOM 7 S SD . MET A 1 1 ? 6.188 12.562 18.651 1.00 18.10 1 A 1 ATOM 8 C CE . MET A 1 1 ? 5.899 12.773 20.430 1.00 16.15 1 A 1 ATOM 9 N N . ILE A 1 2 ? 2.061 10.125 15.725 1.00 22.13 2 A 1 ATOM 10 C CA . ILE A 1 2 ? 2.039 9.788 14.293 1.00 21.82 2 A 1 ATOM 11 C C . ILE A 1 2 ? 2.906 10.835 13.590 1.00 21.99 2 A 1 ATOM 12 O O . ILE A 1 2 ? 2.589 12.023 13.636 1.00 21.51 2 A 1 ATOM 13 C CB . ILE A 1 2 ? 0.584 9.748 13.760 1.00 21.11 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -0.244 8.663 14.496 1.00 19.51 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? 0.568 9.500 12.242 1.00 19.63 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -1.751 8.694 14.188 1.00 18.41 2 A 1 ATOM 17 N N . GLU A 1 3 ? 4.022 10.421 12.996 1.00 23.53 3 A 1 ATOM 18 C CA . GLU A 1 3 ? 4.833 11.278 12.125 1.00 23.83 3 A 1 ATOM 19 C C . GLU A 1 3 ? 4.250 11.209 10.711 1.00 24.11 3 A 1 ATOM 20 O O . GLU A 1 3 ? 4.376 10.196 10.024 1.00 23.45 3 A 1 ATOM 21 C CB . GLU A 1 3 ? 6.327 10.888 12.167 1.00 23.21 3 A 1 ATOM 22 C CG . GLU A 1 3 ? 7.167 11.894 12.977 1.00 21.36 3 A 1 ATOM 23 C CD . GLU A 1 3 ? 8.676 11.601 12.983 1.00 20.47 3 A 1 ATOM 24 O OE1 . GLU A 1 3 ? 9.442 12.524 13.363 1.00 18.84 3 A 1 ATOM 25 O OE2 . GLU A 1 3 ? 9.091 10.482 12.616 1.00 19.44 3 A 1 ATOM 26 N N . ILE A 1 4 ? 3.588 12.286 10.288 1.00 24.24 4 A 1 ATOM 27 C CA . ILE A 1 4 ? 3.153 12.452 8.900 1.00 24.07 4 A 1 ATOM 28 C C . ILE A 1 4 ? 4.380 12.906 8.109 1.00 24.33 4 A 1 ATOM 29 O O . ILE A 1 4 ? 4.875 14.022 8.305 1.00 23.59 4 A 1 ATOM 30 C CB . ILE A 1 4 ? 1.970 13.445 8.789 1.00 23.10 4 A 1 ATOM 31 C CG1 . ILE A 1 4 ? 0.770 12.962 9.643 1.00 21.29 4 A 1 ATOM 32 C CG2 . ILE A 1 4 ? 1.559 13.617 7.313 1.00 21.22 4 A 1 ATOM 33 C CD1 . ILE A 1 4 ? -0.405 13.952 9.699 1.00 19.86 4 A 1 ATOM 34 N N . PHE A 1 5 ? 4.878 12.047 7.219 1.00 26.57 5 A 1 ATOM 35 C CA . PHE A 1 5 ? 5.945 12.424 6.299 1.00 27.06 5 A 1 ATOM 36 C C . PHE A 1 5 ? 5.399 13.462 5.317 1.00 27.05 5 A 1 ATOM 37 O O . PHE A 1 5 ? 4.371 13.259 4.677 1.00 26.18 5 A 1 ATOM 38 C CB . PHE A 1 5 ? 6.531 11.181 5.612 1.00 26.20 5 A 1 ATOM 39 C CG . PHE A 1 5 ? 7.349 10.325 6.571 1.00 24.53 5 A 1 ATOM 40 C CD1 . PHE A 1 5 ? 8.720 10.594 6.761 1.00 23.15 5 A 1 ATOM 41 C CD2 . PHE A 1 5 ? 6.734 9.296 7.306 1.00 23.27 5 A 1 ATOM 42 C CE1 . PHE A 1 5 ? 9.469 9.839 7.682 1.00 22.11 5 A 1 ATOM 43 C CE2 . PHE A 1 5 ? 7.482 8.545 8.231 1.00 21.97 5 A 1 ATOM 44 C CZ . PHE A 1 5 ? 8.850 8.816 8.422 1.00 21.67 5 A 1 ATOM 45 N N . LYS A 1 6 ? 6.071 14.615 5.232 1.00 26.88 6 A 1 ATOM 46 C CA . LYS A 1 6 ? 5.835 15.561 4.142 1.00 27.01 6 A 1 ATOM 47 C C . LYS A 1 6 ? 6.335 14.913 2.859 1.00 27.41 6 A 1 ATOM 48 O O . LYS A 1 6 ? 7.434 14.364 2.864 1.00 26.45 6 A 1 ATOM 49 C CB . LYS A 1 6 ? 6.556 16.894 4.380 1.00 25.84 6 A 1 ATOM 50 C CG . LYS A 1 6 ? 5.770 17.813 5.322 1.00 23.93 6 A 1 ATOM 51 C CD . LYS A 1 6 ? 6.483 19.164 5.438 1.00 22.73 6 A 1 ATOM 52 C CE . LYS A 1 6 ? 5.640 20.141 6.253 1.00 21.22 6 A 1 ATOM 53 N NZ . LYS A 1 6 ? 6.305 21.460 6.356 1.00 20.13 6 A 1 ATOM 54 N N . ASP A 1 7 ? 5.540 15.053 1.802 1.00 29.34 7 A 1 ATOM 55 C CA . ASP A 1 7 ? 5.936 14.762 0.426 1.00 29.82 7 A 1 ATOM 56 C C . ASP A 1 7 ? 7.359 15.287 0.185 1.00 29.82 7 A 1 ATOM 57 O O . ASP A 1 7 ? 7.634 16.485 0.319 1.00 28.55 7 A 1 ATOM 58 C CB . ASP A 1 7 ? 4.899 15.412 -0.506 1.00 28.33 7 A 1 ATOM 59 C CG . ASP A 1 7 ? 5.138 15.148 -1.990 1.00 26.48 7 A 1 ATOM 60 O OD1 . ASP A 1 7 ? 6.141 14.471 -2.308 1.00 25.04 7 A 1 ATOM 61 O OD2 . ASP A 1 7 ? 4.337 15.693 -2.779 1.00 25.00 7 A 1 ATOM 62 N N . THR A 1 8 ? 8.281 14.361 -0.065 1.00 28.09 8 A 1 ATOM 63 C CA . THR A 1 8 ? 9.704 14.656 -0.273 1.00 28.55 8 A 1 ATOM 64 C C . THR A 1 8 ? 10.024 14.877 -1.745 1.00 28.58 8 A 1 ATOM 65 O O . THR A 1 8 ? 11.170 15.171 -2.073 1.00 27.14 8 A 1 ATOM 66 C CB . THR A 1 8 ? 10.605 13.562 0.328 1.00 26.74 8 A 1 ATOM 67 O OG1 . THR A 1 8 ? 10.232 12.290 -0.126 1.00 24.86 8 A 1 ATOM 68 C CG2 . THR A 1 8 ? 10.539 13.544 1.861 1.00 24.60 8 A 1 ATOM 69 N N . GLY A 1 9 ? 9.030 14.747 -2.629 1.00 30.08 9 A 1 ATOM 70 C CA . GLY A 1 9 ? 9.229 14.776 -4.076 1.00 30.39 9 A 1 ATOM 71 C C . GLY A 1 9 ? 9.982 13.556 -4.613 1.00 30.83 9 A 1 ATOM 72 O O . GLY A 1 9 ? 10.491 13.599 -5.735 1.00 29.26 9 A 1 ATOM 73 N N . ALA A 1 10 ? 10.089 12.478 -3.816 1.00 28.85 10 A 1 ATOM 74 C CA . ALA A 1 10 ? 10.651 11.214 -4.270 1.00 29.18 10 A 1 ATOM 75 C C . ALA A 1 10 ? 9.708 10.580 -5.303 1.00 29.49 10 A 1 ATOM 76 O O . ALA A 1 10 ? 8.505 10.482 -5.085 1.00 28.54 10 A 1 ATOM 77 C CB . ALA A 1 10 ? 10.901 10.303 -3.064 1.00 27.75 10 A 1 ATOM 78 N N . THR A 1 11 ? 10.260 10.159 -6.445 1.00 28.92 11 A 1 ATOM 79 C CA . THR A 1 11 ? 9.489 9.488 -7.506 1.00 28.64 11 A 1 ATOM 80 C C . THR A 1 11 ? 9.196 8.023 -7.196 1.00 29.44 11 A 1 ATOM 81 O O . THR A 1 11 ? 8.336 7.434 -7.843 1.00 28.68 11 A 1 ATOM 82 C CB . THR A 1 11 ? 10.216 9.595 -8.859 1.00 26.87 11 A 1 ATOM 83 O OG1 . THR A 1 11 ? 11.620 9.511 -8.707 1.00 24.81 11 A 1 ATOM 84 C CG2 . THR A 1 11 ? 9.928 10.939 -9.535 1.00 24.72 11 A 1 ATOM 85 N N . HIS A 1 12 ? 9.916 7.434 -6.235 1.00 30.33 12 A 1 ATOM 86 C CA . HIS A 1 12 ? 9.786 6.031 -5.836 1.00 30.89 12 A 1 ATOM 87 C C . HIS A 1 12 ? 10.108 5.885 -4.350 1.00 31.52 12 A 1 ATOM 88 O O . HIS A 1 12 ? 11.153 6.367 -3.902 1.00 30.65 12 A 1 ATOM 89 C CB . HIS A 1 12 ? 10.757 5.158 -6.649 1.00 29.49 12 A 1 ATOM 90 C CG . HIS A 1 12 ? 10.593 5.294 -8.146 1.00 27.62 12 A 1 ATOM 91 N ND1 . HIS A 1 12 ? 9.439 5.079 -8.854 1.00 25.72 12 A 1 ATOM 92 C CD2 . HIS A 1 12 ? 11.536 5.738 -9.045 1.00 25.79 12 A 1 ATOM 93 C CE1 . HIS A 1 12 ? 9.662 5.400 -10.141 1.00 23.94 12 A 1 ATOM 94 N NE2 . HIS A 1 12 ? 10.936 5.799 -10.310 1.00 24.03 12 A 1 ATOM 95 N N . ASP A 1 13 ? 9.284 5.133 -3.605 1.00 36.40 13 A 1 ATOM 96 C CA . ASP A 1 13 ? 9.518 4.797 -2.203 1.00 37.63 13 A 1 ATOM 97 C C . ASP A 1 13 ? 9.814 3.298 -2.044 1.00 38.16 13 A 1 ATOM 98 O O . ASP A 1 13 ? 9.187 2.430 -2.648 1.00 37.04 13 A 1 ATOM 99 C CB . ASP A 1 13 ? 8.342 5.285 -1.331 1.00 36.30 13 A 1 ATOM 100 C CG . ASP A 1 13 ? 8.343 6.817 -1.131 1.00 34.12 13 A 1 ATOM 101 O OD1 . ASP A 1 13 ? 9.461 7.382 -0.977 1.00 31.73 13 A 1 ATOM 102 O OD2 . ASP A 1 13 ? 7.253 7.409 -1.046 1.00 31.53 13 A 1 ATOM 103 N N . LEU A 1 14 ? 10.810 2.973 -1.222 1.00 36.95 14 A 1 ATOM 104 C CA . LEU A 1 14 ? 11.143 1.589 -0.876 1.00 37.57 14 A 1 ATOM 105 C C . LEU A 1 14 ? 10.884 1.369 0.616 1.00 38.39 14 A 1 ATOM 106 O O . LEU A 1 14 ? 11.576 1.928 1.471 1.00 37.44 14 A 1 ATOM 107 C CB . LEU A 1 14 ? 12.594 1.277 -1.273 1.00 36.22 14 A 1 ATOM 108 C CG . LEU A 1 14 ? 12.949 -0.217 -1.104 1.00 33.24 14 A 1 ATOM 109 C CD1 . LEU A 1 14 ? 12.340 -1.085 -2.205 1.00 30.64 14 A 1 ATOM 110 C CD2 . LEU A 1 14 ? 14.465 -0.403 -1.157 1.00 30.25 14 A 1 ATOM 111 N N . VAL A 1 15 ? 9.918 0.507 0.939 1.00 40.06 15 A 1 ATOM 112 C CA . VAL A 1 15 ? 9.520 0.220 2.320 1.00 40.84 15 A 1 ATOM 113 C C . VAL A 1 15 ? 10.136 -1.097 2.777 1.00 40.79 15 A 1 ATOM 114 O O . VAL A 1 15 ? 9.953 -2.136 2.153 1.00 40.05 15 A 1 ATOM 115 C CB . VAL A 1 15 ? 7.989 0.241 2.470 1.00 39.87 15 A 1 ATOM 116 C CG1 . VAL A 1 15 ? 7.553 -0.085 3.903 1.00 37.29 15 A 1 ATOM 117 C CG2 . VAL A 1 15 ? 7.455 1.641 2.113 1.00 36.52 15 A 1 ATOM 118 N N . TYR A 1 16 ? 10.870 -1.057 3.887 1.00 40.08 16 A 1 ATOM 119 C CA . TYR A 1 16 ? 11.436 -2.243 4.531 1.00 40.09 16 A 1 ATOM 120 C C . TYR A 1 16 ? 10.557 -2.723 5.687 1.00 40.67 16 A 1 ATOM 121 O O . TYR A 1 16 ? 10.319 -1.992 6.651 1.00 40.62 16 A 1 ATOM 122 C CB . TYR A 1 16 ? 12.851 -1.946 5.024 1.00 38.46 16 A 1 ATOM 123 C CG . TYR A 1 16 ? 13.485 -3.102 5.775 1.00 34.86 16 A 1 ATOM 124 C CD1 . TYR A 1 16 ? 13.717 -3.009 7.164 1.00 32.27 16 A 1 ATOM 125 C CD2 . TYR A 1 16 ? 13.830 -4.284 5.090 1.00 32.13 16 A 1 ATOM 126 C CE1 . TYR A 1 16 ? 14.320 -4.078 7.854 1.00 29.74 16 A 1 ATOM 127 C CE2 . TYR A 1 16 ? 14.430 -5.355 5.778 1.00 30.37 16 A 1 ATOM 128 C CZ . TYR A 1 16 ? 14.685 -5.250 7.159 1.00 30.11 16 A 1 ATOM 129 O OH . TYR A 1 16 ? 15.289 -6.276 7.819 1.00 29.60 16 A 1 ATOM 130 N N . HIS A 1 17 ? 10.151 -3.993 5.641 1.00 38.09 17 A 1 ATOM 131 C CA . HIS A 1 17 ? 9.394 -4.632 6.712 1.00 38.71 17 A 1 ATOM 132 C C . HIS A 1 17 ? 10.307 -5.493 7.598 1.00 38.53 17 A 1 ATOM 133 O O . HIS A 1 17 ? 10.630 -6.636 7.274 1.00 38.55 17 A 1 ATOM 134 C CB . HIS A 1 17 ? 8.228 -5.425 6.123 1.00 38.45 17 A 1 ATOM 135 C CG . HIS A 1 17 ? 7.254 -5.860 7.189 1.00 36.65 17 A 1 ATOM 136 N ND1 . HIS A 1 17 ? 7.480 -6.748 8.205 1.00 34.84 17 A 1 ATOM 137 C CD2 . HIS A 1 17 ? 5.974 -5.413 7.343 1.00 34.68 17 A 1 ATOM 138 C CE1 . HIS A 1 17 ? 6.362 -6.833 8.949 1.00 32.82 17 A 1 ATOM 139 N NE2 . HIS A 1 17 ? 5.417 -6.032 8.458 1.00 33.09 17 A 1 ATOM 140 N N . SER A 1 18 ? 10.684 -4.977 8.761 1.00 39.31 18 A 1 ATOM 141 C CA . SER A 1 18 ? 11.665 -5.611 9.656 1.00 39.48 18 A 1 ATOM 142 C C . SER A 1 18 ? 11.253 -6.991 10.189 1.00 39.60 18 A 1 ATOM 143 O O . SER A 1 18 ? 12.101 -7.870 10.305 1.00 38.11 18 A 1 ATOM 144 C CB . SER A 1 18 ? 11.977 -4.678 10.830 1.00 37.60 18 A 1 ATOM 145 O OG . SER A 1 18 ? 10.802 -4.376 11.562 1.00 34.08 18 A 1 ATOM 146 N N . LYS A 1 19 ? 9.959 -7.218 10.479 1.00 39.15 19 A 1 ATOM 147 C CA . LYS A 1 19 ? 9.464 -8.505 11.020 1.00 39.94 19 A 1 ATOM 148 C C . LYS A 1 19 ? 9.576 -9.671 10.031 1.00 39.84 19 A 1 ATOM 149 O O . LYS A 1 19 ? 9.720 -10.808 10.463 1.00 38.93 19 A 1 ATOM 150 C CB . LYS A 1 19 ? 7.999 -8.387 11.472 1.00 39.76 19 A 1 ATOM 151 C CG . LYS A 1 19 ? 7.775 -7.472 12.685 1.00 36.44 19 A 1 ATOM 152 C CD . LYS A 1 19 ? 6.282 -7.486 13.062 1.00 34.80 19 A 1 ATOM 153 C CE . LYS A 1 19 ? 5.973 -6.572 14.251 1.00 33.06 19 A 1 ATOM 154 N NZ . LYS A 1 19 ? 4.506 -6.468 14.497 1.00 30.38 19 A 1 ATOM 155 N N . ILE A 1 20 ? 9.472 -9.392 8.736 1.00 38.60 20 A 1 ATOM 156 C CA . ILE A 1 20 ? 9.531 -10.403 7.667 1.00 39.35 20 A 1 ATOM 157 C C . ILE A 1 20 ? 10.798 -10.278 6.811 1.00 39.19 20 A 1 ATOM 158 O O . ILE A 1 20 ? 10.985 -11.056 5.883 1.00 38.27 20 A 1 ATOM 159 C CB . ILE A 1 20 ? 8.235 -10.399 6.825 1.00 38.44 20 A 1 ATOM 160 C CG1 . ILE A 1 20 ? 8.047 -9.065 6.072 1.00 35.88 20 A 1 ATOM 161 C CG2 . ILE A 1 20 ? 7.026 -10.726 7.718 1.00 35.67 20 A 1 ATOM 162 C CD1 . ILE A 1 20 ? 6.822 -9.046 5.150 1.00 34.97 20 A 1 ATOM 163 N N . ASN A 1 21 ? 11.672 -9.316 7.146 1.00 38.94 21 A 1 ATOM 164 C CA . ASN A 1 21 ? 12.967 -9.083 6.515 1.00 39.73 21 A 1 ATOM 165 C C . ASN A 1 21 ? 12.890 -8.952 4.977 1.00 40.28 21 A 1 ATOM 166 O O . ASN A 1 21 ? 13.643 -9.601 4.253 1.00 39.67 21 A 1 ATOM 167 C CB . ASN A 1 21 ? 13.958 -10.150 7.013 1.00 38.80 21 A 1 ATOM 168 C CG . ASN A 1 21 ? 15.391 -9.799 6.654 1.00 35.34 21 A 1 ATOM 169 O OD1 . ASN A 1 21 ? 15.853 -8.688 6.853 1.00 33.37 21 A 1 ATOM 170 N ND2 . ASN A 1 21 ? 16.158 -10.731 6.147 1.00 33.27 21 A 1 ATOM 171 N N . THR A 1 22 ? 11.955 -8.138 4.483 1.00 37.14 22 A 1 ATOM 172 C CA . THR A 1 22 ? 11.750 -7.946 3.041 1.00 38.35 22 A 1 ATOM 173 C C . THR A 1 22 ? 11.485 -6.490 2.681 1.00 38.85 22 A 1 ATOM 174 O O . THR A 1 22 ? 11.157 -5.673 3.548 1.00 38.38 22 A 1 ATOM 175 C CB . THR A 1 22 ? 10.648 -8.877 2.523 1.00 37.13 22 A 1 ATOM 176 O OG1 . THR A 1 22 ? 10.804 -9.044 1.134 1.00 34.32 22 A 1 ATOM 177 C CG2 . THR A 1 22 ? 9.227 -8.371 2.771 1.00 33.65 22 A 1 ATOM 178 N N . PHE A 1 23 ? 11.641 -6.160 1.400 1.00 37.97 23 A 1 ATOM 179 C CA . PHE A 1 23 ? 11.419 -4.844 0.819 1.00 38.16 23 A 1 ATOM 180 C C . PHE A 1 23 ? 10.225 -4.880 -0.127 1.00 38.64 23 A 1 ATOM 181 O O . PHE A 1 23 ? 10.027 -5.862 -0.840 1.00 38.08 23 A 1 ATOM 182 C CB . PHE A 1 23 ? 12.670 -4.379 0.075 1.00 36.87 23 A 1 ATOM 183 C CG . PHE A 1 23 ? 13.892 -4.209 0.957 1.00 34.08 23 A 1 ATOM 184 C CD1 . PHE A 1 23 ? 14.158 -2.964 1.555 1.00 31.18 23 A 1 ATOM 185 C CD2 . PHE A 1 23 ? 14.766 -5.293 1.173 1.00 31.28 23 A 1 ATOM 186 C CE1 . PHE A 1 23 ? 15.298 -2.796 2.354 1.00 29.38 23 A 1 ATOM 187 C CE2 . PHE A 1 23 ? 15.905 -5.125 1.976 1.00 29.89 23 A 1 ATOM 188 C CZ . PHE A 1 23 ? 16.173 -3.876 2.564 1.00 29.75 23 A 1 ATOM 189 N N . VAL A 1 24 ? 9.479 -3.787 -0.159 1.00 36.66 24 A 1 ATOM 190 C CA . VAL A 1 24 ? 8.391 -3.566 -1.111 1.00 36.98 24 A 1 ATOM 191 C C . VAL A 1 24 ? 8.645 -2.249 -1.826 1.00 36.80 24 A 1 ATOM 192 O O . VAL A 1 24 ? 8.931 -1.235 -1.187 1.00 35.95 24 A 1 ATOM 193 C CB . VAL A 1 24 ? 7.025 -3.567 -0.423 1.00 36.09 24 A 1 ATOM 194 C CG1 . VAL A 1 24 ? 5.915 -3.412 -1.464 1.00 34.03 24 A 1 ATOM 195 C CG2 . VAL A 1 24 ? 6.791 -4.879 0.340 1.00 33.95 24 A 1 ATOM 196 N N . TRP A 1 25 ? 8.566 -2.281 -3.150 1.00 33.39 25 A 1 ATOM 197 C CA . TRP A 1 25 ? 8.698 -1.100 -3.991 1.00 33.47 25 A 1 ATOM 198 C C . TRP A 1 25 ? 7.328 -0.458 -4.192 1.00 33.81 25 A 1 ATOM 199 O O . TRP A 1 25 ? 6.385 -1.126 -4.621 1.00 32.77 25 A 1 ATOM 200 C CB . TRP A 1 25 ? 9.354 -1.497 -5.309 1.00 31.82 25 A 1 ATOM 201 C CG . TRP A 1 25 ? 9.757 -0.372 -6.206 1.00 30.43 25 A 1 ATOM 202 C CD1 . TRP A 1 25 ? 10.218 0.842 -5.813 1.00 27.99 25 A 1 ATOM 203 C CD2 . TRP A 1 25 ? 9.780 -0.349 -7.667 1.00 28.39 25 A 1 ATOM 204 N NE1 . TRP A 1 25 ? 10.517 1.613 -6.920 1.00 26.74 25 A 1 ATOM 205 C CE2 . TRP A 1 25 ? 10.273 0.921 -8.092 1.00 26.80 25 A 1 ATOM 206 C CE3 . TRP A 1 25 ? 9.441 -1.273 -8.674 1.00 26.85 25 A 1 ATOM 207 C CZ2 . TRP A 1 25 ? 10.424 1.254 -9.444 1.00 25.59 25 A 1 ATOM 208 C CZ3 . TRP A 1 25 ? 9.587 -0.953 -10.032 1.00 25.80 25 A 1 ATOM 209 C CH2 . TRP A 1 25 ? 10.077 0.308 -10.418 1.00 25.71 25 A 1 ATOM 210 N N . ASP A 1 26 ? 7.259 0.838 -3.897 1.00 36.11 26 A 1 ATOM 211 C CA . ASP A 1 26 ? 6.091 1.672 -4.137 1.00 36.57 26 A 1 ATOM 212 C C . ASP A 1 26 ? 6.433 2.701 -5.223 1.00 36.71 26 A 1 ATOM 213 O O . ASP A 1 26 ? 7.471 3.364 -5.167 1.00 35.07 26 A 1 ATOM 214 C CB . ASP A 1 26 ? 5.655 2.324 -2.828 1.00 34.90 26 A 1 ATOM 215 C CG . ASP A 1 26 ? 4.348 3.094 -2.985 1.00 32.88 26 A 1 ATOM 216 O OD1 . ASP A 1 26 ? 3.802 3.116 -4.120 1.00 30.89 26 A 1 ATOM 217 O OD2 . ASP A 1 26 ? 3.900 3.646 -1.968 1.00 30.64 26 A 1 ATOM 218 N N . VAL A 1 27 ? 5.573 2.799 -6.239 1.00 31.23 27 A 1 ATOM 219 C CA . VAL A 1 27 ? 5.766 3.701 -7.385 1.00 31.34 27 A 1 ATOM 220 C C . VAL A 1 27 ? 4.731 4.831 -7.398 1.00 31.89 27 A 1 ATOM 221 O O . VAL A 1 27 ? 4.978 5.864 -8.004 1.00 30.62 27 A 1 ATOM 222 C CB . VAL A 1 27 ? 5.782 2.912 -8.712 1.00 29.22 27 A 1 ATOM 223 C CG1 . VAL A 1 27 ? 6.345 3.750 -9.866 1.00 26.80 27 A 1 ATOM 224 C CG2 . VAL A 1 27 ? 6.626 1.639 -8.646 1.00 26.33 27 A 1 ATOM 225 N N . GLU A 1 28 ? 3.572 4.663 -6.731 1.00 32.43 28 A 1 ATOM 226 C CA . GLU A 1 28 ? 2.470 5.639 -6.835 1.00 32.39 28 A 1 ATOM 227 C C . GLU A 1 28 ? 1.480 5.643 -5.643 1.00 33.14 28 A 1 ATOM 228 O O . GLU A 1 28 ? 0.398 6.227 -5.773 1.00 32.49 28 A 1 ATOM 229 C CB . GLU A 1 28 ? 1.671 5.370 -8.129 1.00 30.95 28 A 1 ATOM 230 C CG . GLU A 1 28 ? 2.387 5.669 -9.460 1.00 28.56 28 A 1 ATOM 231 C CD . GLU A 1 28 ? 1.390 5.588 -10.634 1.00 27.25 28 A 1 ATOM 232 O OE1 . GLU A 1 28 ? 1.389 6.474 -11.512 1.00 25.33 28 A 1 ATOM 233 O OE2 . GLU A 1 28 ? 0.488 4.703 -10.631 1.00 25.64 28 A 1 ATOM 234 N N . PHE A 1 29 ? 1.774 4.964 -4.510 1.00 34.09 29 A 1 ATOM 235 C CA . PHE A 1 29 ? 0.767 4.669 -3.493 1.00 34.19 29 A 1 ATOM 236 C C . PHE A 1 29 ? 1.309 4.882 -2.071 1.00 34.77 29 A 1 ATOM 237 O O . PHE A 1 29 ? 2.512 4.861 -1.845 1.00 33.74 29 A 1 ATOM 238 C CB . PHE A 1 29 ? 0.265 3.224 -3.692 1.00 32.36 29 A 1 ATOM 239 C CG . PHE A 1 29 ? -0.308 2.840 -5.060 1.00 30.27 29 A 1 ATOM 240 C CD1 . PHE A 1 29 ? -1.690 2.657 -5.224 1.00 28.17 29 A 1 ATOM 241 C CD2 . PHE A 1 29 ? 0.539 2.590 -6.154 1.00 28.31 29 A 1 ATOM 242 C CE1 . PHE A 1 29 ? -2.217 2.228 -6.462 1.00 26.36 29 A 1 ATOM 243 C CE2 . PHE A 1 29 ? 0.008 2.168 -7.395 1.00 26.47 29 A 1 ATOM 244 C CZ . PHE A 1 29 ? -1.369 1.984 -7.546 1.00 25.97 29 A 1 ATOM 245 N N . ASP A 1 30 ? 0.421 5.040 -1.088 1.00 37.52 30 A 1 ATOM 246 C CA . ASP A 1 30 ? 0.802 4.944 0.322 1.00 38.35 30 A 1 ATOM 247 C C . ASP A 1 30 ? 0.701 3.482 0.774 1.00 38.61 30 A 1 ATOM 248 O O . ASP A 1 30 ? -0.340 2.834 0.593 1.00 37.03 30 A 1 ATOM 249 C CB . ASP A 1 30 ? -0.092 5.837 1.195 1.00 36.82 30 A 1 ATOM 250 C CG . ASP A 1 30 ? 0.154 7.343 1.035 1.00 34.50 30 A 1 ATOM 251 O OD1 . ASP A 1 30 ? 1.333 7.750 1.027 1.00 32.02 30 A 1 ATOM 252 O OD2 . ASP A 1 30 ? -0.856 8.088 1.020 1.00 31.84 30 A 1 ATOM 253 N N . ILE A 1 31 ? 1.763 2.944 1.373 1.00 37.38 31 A 1 ATOM 254 C CA . ILE A 1 31 ? 1.799 1.550 1.842 1.00 37.35 31 A 1 ATOM 255 C C . ILE A 1 31 ? 1.157 1.431 3.227 1.00 37.37 31 A 1 ATOM 256 O O . ILE A 1 31 ? 1.636 1.985 4.215 1.00 36.32 31 A 1 ATOM 257 C CB . ILE A 1 31 ? 3.230 0.968 1.817 1.00 36.35 31 A 1 ATOM 258 C CG1 . ILE A 1 31 ? 3.767 0.985 0.366 1.00 33.80 31 A 1 ATOM 259 C CG2 . ILE A 1 31 ? 3.233 -0.459 2.399 1.00 33.02 31 A 1 ATOM 260 C CD1 . ILE A 1 31 ? 5.144 0.357 0.175 1.00 31.80 31 A 1 ATOM 261 N N . VAL A 1 32 ? 0.111 0.615 3.318 1.00 38.16 32 A 1 ATOM 262 C CA . VAL A 1 32 ? -0.590 0.274 4.558 1.00 38.48 32 A 1 ATOM 263 C C . VAL A 1 32 ? -0.374 -1.200 4.874 1.00 38.35 32 A 1 ATOM 264 O O . VAL A 1 32 ? -0.800 -2.090 4.140 1.00 36.88 32 A 1 ATOM 265 C CB . VAL A 1 32 ? -2.080 0.624 4.458 1.00 37.18 32 A 1 ATOM 266 C CG1 . VAL A 1 32 ? -2.817 0.227 5.738 1.00 34.74 32 A 1 ATOM 267 C CG2 . VAL A 1 32 ? -2.283 2.130 4.216 1.00 33.95 32 A 1 ATOM 268 N N . LEU A 1 33 ? 0.262 -1.475 6.014 1.00 36.39 33 A 1 ATOM 269 C CA . LEU A 1 33 ? 0.452 -2.838 6.494 1.00 36.74 33 A 1 ATOM 270 C C . LEU A 1 33 ? -0.672 -3.209 7.465 1.00 36.87 33 A 1 ATOM 271 O O . LEU A 1 33 ? -0.919 -2.520 8.450 1.00 35.86 33 A 1 ATOM 272 C CB . LEU A 1 33 ? 1.857 -2.985 7.087 1.00 35.27 33 A 1 ATOM 273 C CG . LEU A 1 33 ? 2.968 -2.881 6.019 1.00 33.22 33 A 1 ATOM 274 C CD1 . LEU A 1 33 ? 4.353 -2.765 6.635 1.00 30.70 33 A 1 ATOM 275 C CD2 . LEU A 1 33 ? 3.007 -4.131 5.138 1.00 30.77 33 A 1 ATOM 276 N N . SER A 1 34 ? -1.352 -4.320 7.170 1.00 37.44 34 A 1 ATOM 277 C CA . SER A 1 34 ? -2.398 -4.867 8.037 1.00 37.69 34 A 1 ATOM 278 C C . SER A 1 34 ? -1.785 -5.654 9.198 1.00 37.72 34 A 1 ATOM 279 O O . SER A 1 34 ? -0.878 -6.457 8.998 1.00 36.19 34 A 1 ATOM 280 C CB . SER A 1 34 ? -3.338 -5.749 7.220 1.00 36.23 34 A 1 ATOM 281 O OG . SER A 1 34 ? -4.378 -6.255 8.033 1.00 33.81 34 A 1 ATOM 282 N N . ASP A 1 35 ? -2.323 -5.476 10.407 1.00 37.14 35 A 1 ATOM 283 C CA . ASP A 1 35 ? -2.010 -6.304 11.586 1.00 38.00 35 A 1 ATOM 284 C C . ASP A 1 35 ? -2.731 -7.671 11.551 1.00 38.18 35 A 1 ATOM 285 O O . ASP A 1 35 ? -2.687 -8.436 12.517 1.00 36.81 35 A 1 ATOM 286 C CB . ASP A 1 35 ? -2.343 -5.522 12.875 1.00 36.53 35 A 1 ATOM 287 C CG . ASP A 1 35 ? -1.146 -4.861 13.582 1.00 34.23 35 A 1 ATOM 288 O OD1 . ASP A 1 35 ? 0.012 -5.021 13.132 1.00 31.83 35 A 1 ATOM 289 O OD2 . ASP A 1 35 ? -1.387 -4.245 14.648 1.00 31.48 35 A 1 ATOM 290 N N . SER A 1 36 ? -3.430 -8.004 10.452 1.00 36.20 36 A 1 ATOM 291 C CA . SER A 1 36 ? -4.082 -9.305 10.318 1.00 36.39 36 A 1 ATOM 292 C C . SER A 1 36 ? -3.043 -10.430 10.327 1.00 36.52 36 A 1 ATOM 293 O O . SER A 1 36 ? -1.931 -10.291 9.820 1.00 35.01 36 A 1 ATOM 294 C CB . SER A 1 36 ? -5.001 -9.375 9.091 1.00 34.43 36 A 1 ATOM 295 O OG . SER A 1 36 ? -4.289 -9.559 7.890 1.00 31.87 36 A 1 ATOM 296 N N . LYS A 1 37 ? -3.420 -11.581 10.899 1.00 34.75 37 A 1 ATOM 297 C CA . LYS A 1 37 ? -2.553 -12.773 10.984 1.00 35.14 37 A 1 ATOM 298 C C . LYS A 1 37 ? -2.133 -13.327 9.615 1.00 35.53 37 A 1 ATOM 299 O O . LYS A 1 37 ? -1.256 -14.185 9.560 1.00 34.29 37 A 1 ATOM 300 C CB . LYS A 1 37 ? -3.246 -13.862 11.813 1.00 33.53 37 A 1 ATOM 301 C CG . LYS A 1 37 ? -3.356 -13.500 13.301 1.00 30.96 37 A 1 ATOM 302 C CD . LYS A 1 37 ? -4.023 -14.649 14.065 1.00 29.80 37 A 1 ATOM 303 C CE . LYS A 1 37 ? -4.111 -14.325 15.555 1.00 27.54 37 A 1 ATOM 304 N NZ . LYS A 1 37 ? -4.836 -15.390 16.290 1.00 26.13 37 A 1 ATOM 305 N N . GLU A 1 38 ? -2.722 -12.833 8.531 1.00 34.61 38 A 1 ATOM 306 C CA . GLU A 1 38 ? -2.266 -13.056 7.161 1.00 35.11 38 A 1 ATOM 307 C C . GLU A 1 38 ? -1.162 -12.047 6.815 1.00 35.69 38 A 1 ATOM 308 O O . GLU A 1 38 ? -1.367 -11.075 6.098 1.00 34.82 38 A 1 ATOM 309 C CB . GLU A 1 38 ? -3.437 -12.975 6.174 1.00 34.24 38 A 1 ATOM 310 C CG . GLU A 1 38 ? -4.466 -14.087 6.397 1.00 31.51 38 A 1 ATOM 311 C CD . GLU A 1 38 ? -5.524 -14.149 5.282 1.00 29.87 38 A 1 ATOM 312 O OE1 . GLU A 1 38 ? -6.407 -15.011 5.428 1.00 27.96 38 A 1 ATOM 313 O OE2 . GLU A 1 38 ? -5.419 -13.382 4.288 1.00 28.45 38 A 1 ATOM 314 N N . LEU A 1 39 ? 0.041 -12.271 7.334 1.00 33.72 39 A 1 ATOM 315 C CA . LEU A 1 39 ? 1.244 -11.430 7.185 1.00 34.03 39 A 1 ATOM 316 C C . LEU A 1 39 ? 1.758 -11.278 5.736 1.00 34.92 39 A 1 ATOM 317 O O . LEU A 1 39 ? 2.878 -10.809 5.539 1.00 33.83 39 A 1 ATOM 318 C CB . LEU A 1 39 ? 2.343 -12.035 8.087 1.00 31.70 39 A 1 ATOM 319 C CG . LEU A 1 39 ? 2.116 -11.844 9.599 1.00 29.34 39 A 1 ATOM 320 C CD1 . LEU A 1 39 ? 3.004 -12.809 10.388 1.00 26.96 39 A 1 ATOM 321 C CD2 . LEU A 1 39 ? 2.461 -10.421 10.035 1.00 27.60 39 A 1 ATOM 322 N N . ASN A 1 40 ? 0.986 -11.680 4.734 1.00 37.08 40 A 1 ATOM 323 C CA . ASN A 1 40 ? 1.464 -11.868 3.369 1.00 37.90 40 A 1 ATOM 324 C C . ASN A 1 40 ? 1.013 -10.758 2.412 1.00 38.78 40 A 1 ATOM 325 O O . ASN A 1 40 ? 1.443 -10.763 1.263 1.00 37.59 40 A 1 ATOM 326 C CB . ASN A 1 40 ? 1.035 -13.258 2.869 1.00 36.41 40 A 1 ATOM 327 C CG . ASN A 1 40 ? 1.543 -14.426 3.697 1.00 33.65 40 A 1 ATOM 328 O OD1 . ASN A 1 40 ? 2.226 -14.307 4.698 1.00 31.49 40 A 1 ATOM 329 N ND2 . ASN A 1 40 ? 1.197 -15.631 3.309 1.00 31.41 40 A 1 ATOM 330 N N . LYS A 1 41 ? 0.154 -9.814 2.839 1.00 37.92 41 A 1 ATOM 331 C CA . LYS A 1 41 ? -0.437 -8.803 1.947 1.00 39.03 41 A 1 ATOM 332 C C . LYS A 1 41 ? -0.125 -7.382 2.418 1.00 39.08 41 A 1 ATOM 333 O O . LYS A 1 41 ? -0.438 -7.008 3.547 1.00 38.85 41 A 1 ATOM 334 C CB . LYS A 1 41 ? -1.945 -9.051 1.795 1.00 38.74 41 A 1 ATOM 335 C CG . LYS A 1 41 ? -2.263 -10.383 1.083 1.00 36.32 41 A 1 ATOM 336 C CD . LYS A 1 41 ? -3.774 -10.659 1.058 1.00 35.24 41 A 1 ATOM 337 C CE . LYS A 1 41 ? -4.075 -12.052 0.494 1.00 33.76 41 A 1 ATOM 338 N NZ . LYS A 1 41 ? -5.437 -12.526 0.897 1.00 31.58 41 A 1 ATOM 339 N N . CYS A 1 42 ? 0.468 -6.582 1.527 1.00 39.39 42 A 1 ATOM 340 C CA . CYS A 1 42 ? 0.510 -5.121 1.626 1.00 39.49 42 A 1 ATOM 341 C C . CYS A 1 42 ? -0.718 -4.534 0.940 1.00 39.97 42 A 1 ATOM 342 O O . CYS A 1 42 ? -1.064 -4.972 -0.155 1.00 38.80 42 A 1 ATOM 343 C CB . CYS A 1 42 ? 1.749 -4.559 0.932 1.00 37.66 42 A 1 ATOM 344 S SG . CYS A 1 42 ? 3.123 -4.395 2.075 1.00 34.55 42 A 1 ATOM 345 N N . TYR A 1 43 ? -1.317 -3.524 1.551 1.00 39.15 43 A 1 ATOM 346 C CA . TYR A 1 43 ? -2.370 -2.727 0.939 1.00 39.81 43 A 1 ATOM 347 C C . TYR A 1 43 ? -1.814 -1.369 0.529 1.00 39.86 43 A 1 ATOM 348 O O . TYR A 1 43 ? -1.014 -0.766 1.239 1.00 39.19 43 A 1 ATOM 349 C CB . TYR A 1 43 ? -3.566 -2.601 1.885 1.00 38.71 43 A 1 ATOM 350 C CG . TYR A 1 43 ? -4.205 -3.931 2.219 1.00 36.06 43 A 1 ATOM 351 C CD1 . TYR A 1 43 ? -5.220 -4.458 1.397 1.00 33.65 43 A 1 ATOM 352 C CD2 . TYR A 1 43 ? -3.764 -4.667 3.341 1.00 33.68 43 A 1 ATOM 353 C CE1 . TYR A 1 43 ? -5.796 -5.707 1.692 1.00 31.75 43 A 1 ATOM 354 C CE2 . TYR A 1 43 ? -4.333 -5.919 3.635 1.00 31.79 43 A 1 ATOM 355 C CZ . TYR A 1 43 ? -5.353 -6.439 2.812 1.00 30.77 43 A 1 ATOM 356 O OH . TYR A 1 43 ? -5.905 -7.651 3.100 1.00 30.16 43 A 1 ATOM 357 N N . PHE A 1 44 ? -2.254 -0.893 -0.624 1.00 37.11 44 A 1 ATOM 358 C CA . PHE A 1 44 ? -1.811 0.352 -1.228 1.00 37.18 44 A 1 ATOM 359 C C . PHE A 1 44 ? -3.016 1.247 -1.439 1.00 37.22 44 A 1 ATOM 360 O O . PHE A 1 44 ? -4.042 0.779 -1.932 1.00 36.22 44 A 1 ATOM 361 C CB . PHE A 1 44 ? -1.144 0.054 -2.571 1.00 36.06 44 A 1 ATOM 362 C CG . PHE A 1 44 ? 0.062 -0.843 -2.456 1.00 33.79 44 A 1 ATOM 363 C CD1 . PHE A 1 44 ? 1.341 -0.285 -2.312 1.00 31.52 44 A 1 ATOM 364 C CD2 . PHE A 1 44 ? -0.107 -2.237 -2.467 1.00 31.76 44 A 1 ATOM 365 C CE1 . PHE A 1 44 ? 2.455 -1.114 -2.179 1.00 29.50 44 A 1 ATOM 366 C CE2 . PHE A 1 44 ? 1.011 -3.066 -2.330 1.00 29.59 44 A 1 ATOM 367 C CZ . PHE A 1 44 ? 2.291 -2.501 -2.186 1.00 29.24 44 A 1 ATOM 368 N N . VAL A 1 45 ? -2.883 2.524 -1.118 1.00 37.30 45 A 1 ATOM 369 C CA . VAL A 1 45 ? -3.944 3.512 -1.354 1.00 37.73 45 A 1 ATOM 370 C C . VAL A 1 45 ? -3.464 4.521 -2.389 1.00 37.91 45 A 1 ATOM 371 O O . VAL A 1 45 ? -2.610 5.353 -2.095 1.00 37.16 45 A 1 ATOM 372 C CB . VAL A 1 45 ? -4.385 4.193 -0.043 1.00 36.72 45 A 1 ATOM 373 C CG1 . VAL A 1 45 ? -5.569 5.133 -0.304 1.00 34.18 45 A 1 ATOM 374 C CG2 . VAL A 1 45 ? -4.823 3.165 1.010 1.00 33.69 45 A 1 ATOM 375 N N . LYS A 1 46 ? -4.030 4.480 -3.604 1.00 35.45 46 A 1 ATOM 376 C CA . LYS A 1 46 ? -3.762 5.469 -4.657 1.00 35.52 46 A 1 ATOM 377 C C . LYS A 1 46 ? -4.808 6.574 -4.637 1.00 35.61 46 A 1 ATOM 378 O O . LYS A 1 46 ? -6.002 6.292 -4.738 1.00 34.69 46 A 1 ATOM 379 C CB . LYS A 1 46 ? -3.713 4.790 -6.030 1.00 34.75 46 A 1 ATOM 380 C CG . LYS A 1 46 ? -3.248 5.750 -7.144 1.00 32.31 46 A 1 ATOM 381 C CD . LYS A 1 46 ? -3.019 5.025 -8.477 1.00 30.68 46 A 1 ATOM 382 C CE . LYS A 1 46 ? -2.437 5.977 -9.524 1.00 29.14 46 A 1 ATOM 383 N NZ . LYS A 1 46 ? -1.923 5.279 -10.728 1.00 27.14 46 A 1 ATOM 384 N N . CYS A 1 47 ? -4.361 7.823 -4.599 1.00 32.53 47 A 1 ATOM 385 C CA . CYS A 1 47 ? -5.211 8.976 -4.904 1.00 32.53 47 A 1 ATOM 386 C C . CYS A 1 47 ? -5.132 9.278 -6.410 1.00 32.83 47 A 1 ATOM 387 O O . CYS A 1 47 ? -4.093 9.699 -6.907 1.00 31.39 47 A 1 ATOM 388 C CB . CYS A 1 47 ? -4.777 10.162 -4.034 1.00 30.65 47 A 1 ATOM 389 S SG . CYS A 1 47 ? -5.859 11.572 -4.367 1.00 28.18 47 A 1 ATOM 390 N N . PHE A 1 48 ? -6.238 9.077 -7.152 1.00 31.69 48 A 1 ATOM 391 C CA . PHE A 1 48 ? -6.244 9.239 -8.616 1.00 31.41 48 A 1 ATOM 392 C C . PHE A 1 48 ? -6.378 10.679 -9.099 1.00 31.83 48 A 1 ATOM 393 O O . PHE A 1 48 ? -6.153 10.937 -10.281 1.00 30.57 48 A 1 ATOM 394 C CB . PHE A 1 48 ? -7.351 8.383 -9.235 1.00 29.37 48 A 1 ATOM 395 C CG . PHE A 1 48 ? -6.936 6.942 -9.405 1.00 27.03 48 A 1 ATOM 396 C CD1 . PHE A 1 48 ? -6.232 6.536 -10.558 1.00 24.91 48 A 1 ATOM 397 C CD2 . PHE A 1 48 ? -7.233 6.014 -8.409 1.00 24.93 48 A 1 ATOM 398 C CE1 . PHE A 1 48 ? -5.829 5.202 -10.711 1.00 23.47 48 A 1 ATOM 399 C CE2 . PHE A 1 48 ? -6.829 4.680 -8.563 1.00 23.79 48 A 1 ATOM 400 C CZ . PHE A 1 48 ? -6.128 4.273 -9.711 1.00 23.26 48 A 1 ATOM 401 N N . ASN A 1 49 ? -6.790 11.620 -8.231 1.00 29.93 49 A 1 ATOM 402 C CA . ASN A 1 49 ? -7.080 12.963 -8.724 1.00 30.44 49 A 1 ATOM 403 C C . ASN A 1 49 ? -6.977 14.049 -7.640 1.00 30.81 49 A 1 ATOM 404 O O . ASN A 1 49 ? -8.004 14.522 -7.144 1.00 30.09 49 A 1 ATOM 405 C CB . ASN A 1 49 ? -8.441 12.931 -9.441 1.00 29.73 49 A 1 ATOM 406 C CG . ASN A 1 49 ? -8.450 13.852 -10.645 1.00 27.75 49 A 1 ATOM 407 O OD1 . ASN A 1 49 ? -7.785 14.867 -10.730 1.00 26.10 49 A 1 ATOM 408 N ND2 . ASN A 1 49 ? -9.199 13.497 -11.657 1.00 26.38 49 A 1 ATOM 409 N N . PRO A 1 50 ? -5.760 14.499 -7.287 1.00 31.60 50 A 1 ATOM 410 C CA . PRO A 1 50 ? -5.574 15.544 -6.278 1.00 31.53 50 A 1 ATOM 411 C C . PRO A 1 50 ? -6.002 16.951 -6.748 1.00 31.16 50 A 1 ATOM 412 O O . PRO A 1 50 ? -6.073 17.865 -5.937 1.00 30.09 50 A 1 ATOM 413 C CB . PRO A 1 50 ? -4.088 15.465 -5.902 1.00 30.09 50 A 1 ATOM 414 C CG . PRO A 1 50 ? -3.408 14.902 -7.147 1.00 29.73 50 A 1 ATOM 415 C CD . PRO A 1 50 ? -4.471 13.985 -7.748 1.00 31.34 50 A 1 ATOM 416 N N . TYR A 1 51 ? -6.324 17.137 -8.038 1.00 30.12 51 A 1 ATOM 417 C CA . TYR A 1 51 ? -6.533 18.459 -8.656 1.00 30.26 51 A 1 ATOM 418 C C . TYR A 1 51 ? -7.875 18.636 -9.388 1.00 30.59 51 A 1 ATOM 419 O O . TYR A 1 51 ? -7.987 19.479 -10.281 1.00 29.53 51 A 1 ATOM 420 C CB . TYR A 1 51 ? -5.343 18.792 -9.568 1.00 28.70 51 A 1 ATOM 421 C CG . TYR A 1 51 ? -4.021 18.913 -8.836 1.00 26.52 51 A 1 ATOM 422 C CD1 . TYR A 1 51 ? -3.771 20.036 -8.020 1.00 24.52 51 A 1 ATOM 423 C CD2 . TYR A 1 51 ? -3.044 17.910 -8.966 1.00 23.96 51 A 1 ATOM 424 C CE1 . TYR A 1 51 ? -2.549 20.156 -7.339 1.00 22.49 51 A 1 ATOM 425 C CE2 . TYR A 1 51 ? -1.821 18.026 -8.284 1.00 22.99 51 A 1 ATOM 426 C CZ . TYR A 1 51 ? -1.571 19.150 -7.474 1.00 22.83 51 A 1 ATOM 427 O OH . TYR A 1 51 ? -0.384 19.264 -6.814 1.00 21.80 51 A 1 ATOM 428 N N . ARG A 1 52 ? -8.923 17.901 -9.038 1.00 32.99 52 A 1 ATOM 429 C CA . ARG A 1 52 ? -10.257 18.241 -9.563 1.00 33.92 52 A 1 ATOM 430 C C . ARG A 1 52 ? -10.825 19.462 -8.838 1.00 33.69 52 A 1 ATOM 431 O O . ARG A 1 52 ? -10.887 19.505 -7.615 1.00 32.54 52 A 1 ATOM 432 C CB . ARG A 1 52 ? -11.220 17.041 -9.562 1.00 33.28 52 A 1 ATOM 433 C CG . ARG A 1 52 ? -11.239 16.378 -10.948 1.00 31.10 52 A 1 ATOM 434 C CD . ARG A 1 52 ? -12.305 15.284 -11.033 1.00 30.14 52 A 1 ATOM 435 N NE . ARG A 1 52 ? -12.379 14.705 -12.389 1.00 28.37 52 A 1 ATOM 436 C CZ . ARG A 1 52 ? -13.247 13.793 -12.801 1.00 26.97 52 A 1 ATOM 437 N NH1 . ARG A 1 52 ? -14.149 13.295 -12.001 1.00 26.29 52 A 1 ATOM 438 N NH2 . ARG A 1 52 ? -13.223 13.353 -14.031 1.00 26.47 52 A 1 ATOM 439 N N . ILE A 1 53 ? -11.314 20.412 -9.617 1.00 33.88 53 A 1 ATOM 440 C CA . ILE A 1 53 ? -11.898 21.713 -9.224 1.00 35.20 53 A 1 ATOM 441 C C . ILE A 1 53 ? -13.016 21.586 -8.162 1.00 35.38 53 A 1 ATOM 442 O O . ILE A 1 53 ? -13.349 22.555 -7.494 1.00 33.86 53 A 1 ATOM 443 C CB . ILE A 1 53 ? -12.372 22.431 -10.523 1.00 33.82 53 A 1 ATOM 444 C CG1 . ILE A 1 53 ? -11.150 22.737 -11.436 1.00 31.06 53 A 1 ATOM 445 C CG2 . ILE A 1 53 ? -13.156 23.728 -10.261 1.00 32.02 53 A 1 ATOM 446 C CD1 . ILE A 1 53 ? -11.507 23.164 -12.870 1.00 30.42 53 A 1 ATOM 447 N N . ASN A 1 54 ? -13.548 20.378 -7.937 1.00 37.73 54 A 1 ATOM 448 C CA . ASN A 1 54 ? -14.634 20.091 -6.994 1.00 39.44 54 A 1 ATOM 449 C C . ASN A 1 54 ? -14.181 19.373 -5.706 1.00 39.94 54 A 1 ATOM 450 O O . ASN A 1 54 ? -15.035 18.881 -4.969 1.00 38.81 54 A 1 ATOM 451 C CB . ASN A 1 54 ? -15.733 19.313 -7.740 1.00 38.75 54 A 1 ATOM 452 C CG . ASN A 1 54 ? -16.340 20.080 -8.904 1.00 35.65 54 A 1 ATOM 453 O OD1 . ASN A 1 54 ? -16.117 21.253 -9.127 1.00 33.45 54 A 1 ATOM 454 N ND2 . ASN A 1 54 ? -17.145 19.429 -9.704 1.00 33.73 54 A 1 ATOM 455 N N . GLY A 1 55 ? -12.879 19.261 -5.429 1.00 35.08 55 A 1 ATOM 456 C CA . GLY A 1 55 ? -12.335 18.738 -4.164 1.00 35.25 55 A 1 ATOM 457 C C . GLY A 1 55 ? -12.620 17.260 -3.870 1.00 35.95 55 A 1 ATOM 458 O O . GLY A 1 55 ? -12.523 16.842 -2.720 1.00 34.15 55 A 1 ATOM 459 N N . LYS A 1 56 ? -12.992 16.460 -4.876 1.00 33.74 56 A 1 ATOM 460 C CA . LYS A 1 56 ? -13.171 15.007 -4.735 1.00 34.58 56 A 1 ATOM 461 C C . LYS A 1 56 ? -11.906 14.290 -5.196 1.00 34.77 56 A 1 ATOM 462 O O . LYS A 1 56 ? -11.515 14.428 -6.353 1.00 34.46 56 A 1 ATOM 463 C CB . LYS A 1 56 ? -14.402 14.522 -5.507 1.00 34.36 56 A 1 ATOM 464 C CG . LYS A 1 56 ? -15.705 15.027 -4.871 1.00 32.11 56 A 1 ATOM 465 C CD . LYS A 1 56 ? -16.918 14.394 -5.560 1.00 31.25 56 A 1 ATOM 466 C CE . LYS A 1 56 ? -18.206 14.873 -4.885 1.00 29.81 56 A 1 ATOM 467 N NZ . LYS A 1 56 ? -19.398 14.194 -5.456 1.00 27.79 56 A 1 ATOM 468 N N . CYS A 1 57 ? -11.301 13.532 -4.294 1.00 31.59 57 A 1 ATOM 469 C CA . CYS A 1 57 ? -10.231 12.592 -4.611 1.00 32.40 57 A 1 ATOM 470 C C . CYS A 1 57 ? -10.838 11.196 -4.767 1.00 33.23 57 A 1 ATOM 471 O O . CYS A 1 57 ? -11.548 10.733 -3.876 1.00 32.82 57 A 1 ATOM 472 C CB . CYS A 1 57 ? -9.166 12.629 -3.513 1.00 30.92 57 A 1 ATOM 473 S SG . CYS A 1 57 ? -8.293 14.222 -3.517 1.00 28.55 57 A 1 ATOM 474 N N . ASP A 1 58 ? -10.552 10.538 -5.884 1.00 34.50 58 A 1 ATOM 475 C CA . ASP A 1 58 ? -10.877 9.129 -6.079 1.00 35.39 58 A 1 ATOM 476 C C . ASP A 1 58 ? -9.705 8.292 -5.553 1.00 35.83 58 A 1 ATOM 477 O O . ASP A 1 58 ? -8.546 8.575 -5.874 1.00 35.14 58 A 1 ATOM 478 C CB . ASP A 1 58 ? -11.179 8.847 -7.561 1.00 34.86 58 A 1 ATOM 479 C CG . ASP A 1 58 ? -12.424 9.583 -8.089 1.00 32.55 58 A 1 ATOM 480 O OD1 . ASP A 1 58 ? -13.444 9.614 -7.364 1.00 30.86 58 A 1 ATOM 481 O OD2 . ASP A 1 58 ? -12.367 10.118 -9.224 1.00 31.01 58 A 1 ATOM 482 N N . PHE A 1 59 ? -9.988 7.276 -4.741 1.00 33.90 59 A 1 ATOM 483 C CA . PHE A 1 59 ? -8.985 6.370 -4.180 1.00 34.58 59 A 1 ATOM 484 C C . PHE A 1 59 ? -9.225 4.951 -4.688 1.00 34.88 59 A 1 ATOM 485 O O . PHE A 1 59 ? -10.366 4.497 -4.760 1.00 33.86 59 A 1 ATOM 486 C CB . PHE A 1 59 ? -8.996 6.422 -2.646 1.00 33.53 59 A 1 ATOM 487 C CG . PHE A 1 59 ? -8.671 7.788 -2.057 1.00 31.53 59 A 1 ATOM 488 C CD1 . PHE A 1 59 ? -7.335 8.155 -1.809 1.00 29.06 59 A 1 ATOM 489 C CD2 . PHE A 1 59 ? -9.707 8.688 -1.750 1.00 29.86 59 A 1 ATOM 490 C CE1 . PHE A 1 59 ? -7.038 9.415 -1.259 1.00 27.59 59 A 1 ATOM 491 C CE2 . PHE A 1 59 ? -9.406 9.950 -1.200 1.00 28.03 59 A 1 ATOM 492 C CZ . PHE A 1 59 ? -8.072 10.314 -0.953 1.00 27.10 59 A 1 ATOM 493 N N . ALA A 1 60 ? -8.148 4.221 -5.008 1.00 36.26 60 A 1 ATOM 494 C CA . ALA A 1 60 ? -8.199 2.770 -5.161 1.00 36.58 60 A 1 ATOM 495 C C . ALA A 1 60 ? -7.304 2.121 -4.120 1.00 37.39 60 A 1 ATOM 496 O O . ALA A 1 60 ? -6.227 2.622 -3.812 1.00 36.36 60 A 1 ATOM 497 C CB . ALA A 1 60 ? -7.807 2.301 -6.557 1.00 34.96 60 A 1 ATOM 498 N N . VAL A 1 61 ? -7.757 0.970 -3.637 1.00 35.45 61 A 1 ATOM 499 C CA . VAL A 1 61 ? -6.975 0.087 -2.776 1.00 36.25 61 A 1 ATOM 500 C C . VAL A 1 61 ? -6.550 -1.109 -3.616 1.00 36.89 61 A 1 ATOM 501 O O . VAL A 1 61 ? -7.381 -1.774 -4.226 1.00 36.42 61 A 1 ATOM 502 C CB . VAL A 1 61 ? -7.750 -0.321 -1.514 1.00 35.40 61 A 1 ATOM 503 C CG1 . VAL A 1 61 ? -6.860 -1.147 -0.578 1.00 32.80 61 A 1 ATOM 504 C CG2 . VAL A 1 61 ? -8.230 0.918 -0.741 1.00 32.52 61 A 1 ATOM 505 N N . SER A 1 62 ? -5.252 -1.364 -3.669 1.00 38.59 62 A 1 ATOM 506 C CA . SER A 1 62 ? -4.672 -2.554 -4.288 1.00 40.05 62 A 1 ATOM 507 C C . SER A 1 62 ? -3.934 -3.365 -3.228 1.00 40.87 62 A 1 ATOM 508 O O . SER A 1 62 ? -3.604 -2.839 -2.169 1.00 39.82 62 A 1 ATOM 509 C CB . SER A 1 62 ? -3.760 -2.155 -5.445 1.00 38.67 62 A 1 ATOM 510 O OG . SER A 1 62 ? -3.358 -3.298 -6.167 1.00 35.17 62 A 1 ATOM 511 N N . SER A 1 63 ? -3.674 -4.637 -3.493 1.00 38.72 63 A 1 ATOM 512 C CA . SER A 1 63 ? -2.868 -5.483 -2.615 1.00 39.16 63 A 1 ATOM 513 C C . SER A 1 63 ? -1.851 -6.284 -3.417 1.00 39.86 63 A 1 ATOM 514 O O . SER A 1 63 ? -2.165 -6.757 -4.508 1.00 38.66 63 A 1 ATOM 515 C CB . SER A 1 63 ? -3.748 -6.402 -1.761 1.00 37.52 63 A 1 ATOM 516 O OG . SER A 1 63 ? -4.439 -7.342 -2.565 1.00 34.58 63 A 1 ATOM 517 N N . ILE A 1 64 ? -0.656 -6.467 -2.869 1.00 39.20 64 A 1 ATOM 518 C CA . ILE A 1 64 ? 0.354 -7.377 -3.420 1.00 39.93 64 A 1 ATOM 519 C C . ILE A 1 64 ? 0.794 -8.386 -2.366 1.00 40.27 64 A 1 ATOM 520 O O . ILE A 1 64 ? 0.738 -8.119 -1.163 1.00 39.20 64 A 1 ATOM 521 C CB . ILE A 1 64 ? 1.562 -6.643 -4.049 1.00 38.92 64 A 1 ATOM 522 C CG1 . ILE A 1 64 ? 2.460 -5.959 -3.000 1.00 36.15 64 A 1 ATOM 523 C CG2 . ILE A 1 64 ? 1.087 -5.670 -5.142 1.00 35.73 64 A 1 ATOM 524 C CD1 . ILE A 1 64 ? 3.784 -5.448 -3.581 1.00 34.47 64 A 1 ATOM 525 N N . ASP A 1 65 ? 1.268 -9.535 -2.829 1.00 38.98 65 A 1 ATOM 526 C CA . ASP A 1 65 ? 1.973 -10.499 -1.990 1.00 40.17 65 A 1 ATOM 527 C C . ASP A 1 65 ? 3.406 -10.004 -1.736 1.00 40.76 65 A 1 ATOM 528 O O . ASP A 1 65 ? 4.236 -9.918 -2.642 1.00 40.37 65 A 1 ATOM 529 C CB . ASP A 1 65 ? 1.928 -11.882 -2.648 1.00 39.22 65 A 1 ATOM 530 C CG . ASP A 1 65 ? 2.499 -12.972 -1.739 1.00 35.62 65 A 1 ATOM 531 O OD1 . ASP A 1 65 ? 3.611 -12.776 -1.195 1.00 33.27 65 A 1 ATOM 532 O OD2 . ASP A 1 65 ? 1.831 -14.017 -1.603 1.00 33.68 65 A 1 ATOM 533 N N . ILE A 1 66 ? 3.691 -9.653 -0.485 1.00 37.22 66 A 1 ATOM 534 C CA . ILE A 1 66 ? 4.973 -9.074 -0.072 1.00 37.05 66 A 1 ATOM 535 C C . ILE A 1 66 ? 6.112 -10.085 -0.218 1.00 36.93 66 A 1 ATOM 536 O O . ILE A 1 66 ? 7.243 -9.708 -0.509 1.00 35.92 66 A 1 ATOM 537 C CB . ILE A 1 66 ? 4.913 -8.598 1.397 1.00 35.95 66 A 1 ATOM 538 C CG1 . ILE A 1 66 ? 3.679 -7.736 1.717 1.00 33.97 66 A 1 ATOM 539 C CG2 . ILE A 1 66 ? 6.187 -7.810 1.731 1.00 33.61 66 A 1 ATOM 540 C CD1 . ILE A 1 66 ? 3.525 -7.467 3.227 1.00 32.49 66 A 1 ATOM 541 N N . PHE A 1 67 ? 5.843 -11.372 -0.010 1.00 35.74 67 A 1 ATOM 542 C CA . PHE A 1 67 ? 6.886 -12.391 -0.053 1.00 35.88 67 A 1 ATOM 543 C C . PHE A 1 67 ? 7.341 -12.670 -1.479 1.00 36.15 67 A 1 ATOM 544 O O . PHE A 1 67 ? 8.542 -12.798 -1.715 1.00 34.68 67 A 1 ATOM 545 C CB . PHE A 1 67 ? 6.396 -13.681 0.609 1.00 33.63 67 A 1 ATOM 546 C CG . PHE A 1 67 ? 6.299 -13.585 2.119 1.00 31.29 67 A 1 ATOM 547 C CD1 . PHE A 1 67 ? 7.473 -13.597 2.897 1.00 28.83 67 A 1 ATOM 548 C CD2 . PHE A 1 67 ? 5.049 -13.494 2.744 1.00 28.92 67 A 1 ATOM 549 C CE1 . PHE A 1 67 ? 7.393 -13.522 4.300 1.00 27.30 67 A 1 ATOM 550 C CE2 . PHE A 1 67 ? 4.968 -13.418 4.147 1.00 26.90 67 A 1 ATOM 551 C CZ . PHE A 1 67 ? 6.139 -13.434 4.925 1.00 26.97 67 A 1 ATOM 552 N N . SER A 1 68 ? 6.416 -12.740 -2.424 1.00 39.40 68 A 1 ATOM 553 C CA . SER A 1 68 ? 6.764 -12.957 -3.825 1.00 40.34 68 A 1 ATOM 554 C C . SER A 1 68 ? 7.509 -11.758 -4.409 1.00 40.85 68 A 1 ATOM 555 O O . SER A 1 68 ? 8.573 -11.939 -5.005 1.00 39.35 68 A 1 ATOM 556 C CB . SER A 1 68 ? 5.522 -13.299 -4.659 1.00 38.21 68 A 1 ATOM 557 O OG . SER A 1 68 ? 4.537 -12.294 -4.595 1.00 34.75 68 A 1 ATOM 558 N N . GLU A 1 69 ? 7.021 -10.539 -4.170 1.00 41.62 69 A 1 ATOM 559 C CA . GLU A 1 69 ? 7.609 -9.322 -4.728 1.00 42.66 69 A 1 ATOM 560 C C . GLU A 1 69 ? 8.919 -8.942 -4.028 1.00 42.83 69 A 1 ATOM 561 O O . GLU A 1 69 ? 9.923 -8.675 -4.683 1.00 42.55 69 A 1 ATOM 562 C CB . GLU A 1 69 ? 6.567 -8.193 -4.681 1.00 42.42 69 A 1 ATOM 563 C CG . GLU A 1 69 ? 6.997 -6.930 -5.438 1.00 38.55 69 A 1 ATOM 564 C CD . GLU A 1 69 ? 7.273 -7.147 -6.936 1.00 36.48 69 A 1 ATOM 565 O OE1 . GLU A 1 69 ? 7.865 -6.242 -7.562 1.00 35.21 69 A 1 ATOM 566 O OE2 . GLU A 1 69 ? 6.981 -8.237 -7.490 1.00 34.84 69 A 1 ATOM 567 N N . GLY A 1 70 ? 8.976 -9.010 -2.705 1.00 41.57 70 A 1 ATOM 568 C CA . GLY A 1 70 ? 10.200 -8.759 -1.946 1.00 41.19 70 A 1 ATOM 569 C C . GLY A 1 70 ? 11.314 -9.744 -2.299 1.00 41.31 70 A 1 ATOM 570 O O . GLY A 1 70 ? 12.468 -9.349 -2.447 1.00 40.26 70 A 1 ATOM 571 N N . LYS A 1 71 ? 10.979 -11.020 -2.519 1.00 39.82 71 A 1 ATOM 572 C CA . LYS A 1 71 ? 11.949 -12.022 -2.980 1.00 40.15 71 A 1 ATOM 573 C C . LYS A 1 71 ? 12.465 -11.711 -4.386 1.00 40.41 71 A 1 ATOM 574 O O . LYS A 1 71 ? 13.663 -11.858 -4.620 1.00 39.94 71 A 1 ATOM 575 C CB . LYS A 1 71 ? 11.312 -13.415 -2.895 1.00 39.19 71 A 1 ATOM 576 C CG . LYS A 1 71 ? 12.308 -14.528 -3.243 1.00 35.79 71 A 1 ATOM 577 C CD . LYS A 1 71 ? 11.633 -15.893 -3.090 1.00 34.31 71 A 1 ATOM 578 C CE . LYS A 1 71 ? 12.626 -17.001 -3.444 1.00 32.20 71 A 1 ATOM 579 N NZ . LYS A 1 71 ? 11.980 -18.327 -3.365 1.00 30.16 71 A 1 ATOM 580 N N . ARG A 1 72 ? 11.603 -11.275 -5.303 1.00 44.81 72 A 1 ATOM 581 C CA . ARG A 1 72 ? 11.993 -10.870 -6.660 1.00 45.72 72 A 1 ATOM 582 C C . ARG A 1 72 ? 12.960 -9.684 -6.618 1.00 45.64 72 A 1 ATOM 583 O O . ARG A 1 72 ? 14.048 -9.774 -7.180 1.00 45.32 72 A 1 ATOM 584 C CB . ARG A 1 72 ? 10.730 -10.547 -7.478 1.00 45.35 72 A 1 ATOM 585 C CG . ARG A 1 72 ? 11.048 -10.313 -8.962 1.00 41.21 72 A 1 ATOM 586 C CD . ARG A 1 72 ? 9.805 -9.868 -9.747 1.00 39.40 72 A 1 ATOM 587 N NE . ARG A 1 72 ? 9.422 -8.481 -9.438 1.00 38.25 72 A 1 ATOM 588 C CZ . ARG A 1 72 ? 9.998 -7.374 -9.880 1.00 34.98 72 A 1 ATOM 589 N NH1 . ARG A 1 72 ? 10.992 -7.382 -10.723 1.00 34.45 72 A 1 ATOM 590 N NH2 . ARG A 1 72 ? 9.567 -6.226 -9.466 1.00 33.08 72 A 1 ATOM 591 N N . LEU A 1 73 ? 12.623 -8.636 -5.869 1.00 40.35 73 A 1 ATOM 592 C CA . LEU A 1 73 ? 13.446 -7.429 -5.718 1.00 40.94 73 A 1 ATOM 593 C C . LEU A 1 73 ? 14.816 -7.721 -5.082 1.00 40.77 73 A 1 ATOM 594 O O . LEU A 1 73 ? 15.813 -7.130 -5.479 1.00 40.12 73 A 1 ATOM 595 C CB . LEU A 1 73 ? 12.674 -6.404 -4.869 1.00 39.78 73 A 1 ATOM 596 C CG . LEU A 1 73 ? 11.439 -5.793 -5.562 1.00 36.77 73 A 1 ATOM 597 C CD1 . LEU A 1 73 ? 10.643 -4.981 -4.540 1.00 34.03 73 A 1 ATOM 598 C CD2 . LEU A 1 73 ? 11.822 -4.875 -6.721 1.00 34.14 73 A 1 ATOM 599 N N . LEU A 1 74 ? 14.894 -8.652 -4.133 1.00 38.91 74 A 1 ATOM 600 C CA . LEU A 1 74 ? 16.167 -9.068 -3.530 1.00 39.05 74 A 1 ATOM 601 C C . LEU A 1 74 ? 17.056 -9.869 -4.496 1.00 39.10 74 A 1 ATOM 602 O O . LEU A 1 74 ? 18.275 -9.769 -4.411 1.00 37.90 74 A 1 ATOM 603 C CB . LEU A 1 74 ? 15.886 -9.896 -2.265 1.00 37.49 74 A 1 ATOM 604 C CG . LEU A 1 74 ? 15.405 -9.075 -1.052 1.00 34.67 74 A 1 ATOM 605 C CD1 . LEU A 1 74 ? 14.930 -10.028 0.045 1.00 31.62 74 A 1 ATOM 606 C CD2 . LEU A 1 74 ? 16.504 -8.189 -0.473 1.00 31.75 74 A 1 ATOM 607 N N . ILE A 1 75 ? 16.467 -10.669 -5.383 1.00 43.41 75 A 1 ATOM 608 C CA . ILE A 1 75 ? 17.208 -11.466 -6.377 1.00 44.23 75 A 1 ATOM 609 C C . ILE A 1 75 ? 17.733 -10.578 -7.513 1.00 44.07 75 A 1 ATOM 610 O O . ILE A 1 75 ? 18.843 -10.791 -7.989 1.00 43.44 75 A 1 ATOM 611 C CB . ILE A 1 75 ? 16.323 -12.623 -6.896 1.00 43.54 75 A 1 ATOM 612 C CG1 . ILE A 1 75 ? 16.105 -13.668 -5.776 1.00 40.27 75 A 1 ATOM 613 C CG2 . ILE A 1 75 ? 16.939 -13.313 -8.133 1.00 39.82 75 A 1 ATOM 614 C CD1 . ILE A 1 75 ? 14.984 -14.678 -6.071 1.00 38.62 75 A 1 ATOM 615 N N . GLU A 1 76 ? 16.955 -9.575 -7.931 1.00 43.82 76 A 1 ATOM 616 C CA . GLU A 1 76 ? 17.283 -8.656 -9.031 1.00 44.73 76 A 1 ATOM 617 C C . GLU A 1 76 ? 18.152 -7.457 -8.592 1.00 44.48 76 A 1 ATOM 618 O O . GLU A 1 76 ? 18.380 -6.539 -9.370 1.00 43.58 76 A 1 ATOM 619 C CB . GLU A 1 76 ? 15.976 -8.195 -9.706 1.00 44.48 76 A 1 ATOM 620 C CG . GLU A 1 76 ? 15.256 -9.341 -10.442 1.00 40.59 76 A 1 ATOM 621 C CD . GLU A 1 76 ? 13.894 -8.931 -11.041 1.00 38.91 76 A 1 ATOM 622 O OE1 . GLU A 1 76 ? 13.214 -9.828 -11.592 1.00 37.37 76 A 1 ATOM 623 O OE2 . GLU A 1 76 ? 13.474 -7.752 -10.918 1.00 37.42 76 A 1 ATOM 624 N N . ASN A 1 77 ? 18.629 -7.432 -7.343 1.00 35.41 77 A 1 ATOM 625 C CA . ASN A 1 77 ? 19.201 -6.240 -6.720 1.00 35.73 77 A 1 ATOM 626 C C . ASN A 1 77 ? 20.569 -5.831 -7.305 1.00 35.68 77 A 1 ATOM 627 O O . ASN A 1 77 ? 21.625 -6.125 -6.740 1.00 34.77 77 A 1 ATOM 628 C CB . ASN A 1 77 ? 19.233 -6.448 -5.197 1.00 34.31 77 A 1 ATOM 629 C CG . ASN A 1 77 ? 19.260 -5.153 -4.407 1.00 31.94 77 A 1 ATOM 630 O OD1 . ASN A 1 77 ? 19.103 -4.054 -4.909 1.00 30.17 77 A 1 ATOM 631 N ND2 . ASN A 1 77 ? 19.406 -5.246 -3.108 1.00 30.53 77 A 1 ATOM 632 N N . GLU A 1 78 ? 20.559 -5.080 -8.393 1.00 33.04 78 A 1 ATOM 633 C CA . GLU A 1 78 ? 21.710 -4.300 -8.888 1.00 32.96 78 A 1 ATOM 634 C C . GLU A 1 78 ? 21.876 -2.954 -8.147 1.00 32.88 78 A 1 ATOM 635 O O . GLU A 1 78 ? 22.869 -2.247 -8.343 1.00 31.91 78 A 1 ATOM 636 C CB . GLU A 1 78 ? 21.604 -4.069 -10.406 1.00 31.52 78 A 1 ATOM 637 C CG . GLU A 1 78 ? 21.825 -5.347 -11.234 1.00 29.01 78 A 1 ATOM 638 C CD . GLU A 1 78 ? 22.031 -5.059 -12.736 1.00 28.10 78 A 1 ATOM 639 O OE1 . GLU A 1 78 ? 22.634 -5.925 -13.410 1.00 25.95 78 A 1 ATOM 640 O OE2 . GLU A 1 78 ? 21.618 -3.972 -13.207 1.00 27.86 78 A 1 ATOM 641 N N . PHE A 1 79 ? 20.944 -2.581 -7.259 1.00 31.51 79 A 1 ATOM 642 C CA . PHE A 1 79 ? 20.910 -1.281 -6.592 1.00 31.34 79 A 1 ATOM 643 C C . PHE A 1 79 ? 21.406 -1.371 -5.141 1.00 31.51 79 A 1 ATOM 644 O O . PHE A 1 79 ? 20.845 -2.069 -4.301 1.00 30.06 79 A 1 ATOM 645 C CB . PHE A 1 79 ? 19.506 -0.681 -6.706 1.00 29.42 79 A 1 ATOM 646 C CG . PHE A 1 79 ? 19.087 -0.362 -8.135 1.00 27.69 79 A 1 ATOM 647 C CD1 . PHE A 1 79 ? 19.501 0.840 -8.744 1.00 25.68 79 A 1 ATOM 648 C CD2 . PHE A 1 79 ? 18.306 -1.275 -8.865 1.00 25.69 79 A 1 ATOM 649 C CE1 . PHE A 1 79 ? 19.135 1.128 -10.071 1.00 24.19 79 A 1 ATOM 650 C CE2 . PHE A 1 79 ? 17.941 -0.990 -10.195 1.00 24.08 79 A 1 ATOM 651 C CZ . PHE A 1 79 ? 18.356 0.209 -10.796 1.00 24.10 79 A 1 ATOM 652 N N . ASN A 1 80 ? 22.441 -0.593 -4.823 1.00 33.53 80 A 1 ATOM 653 C CA . ASN A 1 80 ? 22.908 -0.405 -3.451 1.00 33.67 80 A 1 ATOM 654 C C . ASN A 1 80 ? 21.962 0.543 -2.692 1.00 33.94 80 A 1 ATOM 655 O O . ASN A 1 80 ? 22.206 1.752 -2.599 1.00 33.07 80 A 1 ATOM 656 C CB . ASN A 1 80 ? 24.359 0.116 -3.466 1.00 32.82 80 A 1 ATOM 657 C CG . ASN A 1 80 ? 25.397 -0.988 -3.514 1.00 30.73 80 A 1 ATOM 658 O OD1 . ASN A 1 80 ? 25.295 -2.005 -2.859 1.00 29.07 80 A 1 ATOM 659 N ND2 . ASN A 1 80 ? 26.473 -0.795 -4.234 1.00 29.01 80 A 1 ATOM 660 N N . PHE A 1 81 ? 20.890 0.008 -2.106 1.00 31.24 81 A 1 ATOM 661 C CA . PHE A 1 81 ? 19.972 0.785 -1.274 1.00 31.03 81 A 1 ATOM 662 C C . PHE A 1 81 ? 20.581 1.062 0.103 1.00 30.83 81 A 1 ATOM 663 O O . PHE A 1 81 ? 20.984 0.154 0.829 1.00 29.90 81 A 1 ATOM 664 C CB . PHE A 1 81 ? 18.618 0.076 -1.170 1.00 30.04 81 A 1 ATOM 665 C CG . PHE A 1 81 ? 17.920 -0.090 -2.509 1.00 28.37 81 A 1 ATOM 666 C CD1 . PHE A 1 81 ? 17.308 1.015 -3.129 1.00 26.83 81 A 1 ATOM 667 C CD2 . PHE A 1 81 ? 17.902 -1.346 -3.141 1.00 27.16 81 A 1 ATOM 668 C CE1 . PHE A 1 81 ? 16.674 0.866 -4.374 1.00 25.45 81 A 1 ATOM 669 C CE2 . PHE A 1 81 ? 17.266 -1.496 -4.386 1.00 25.48 81 A 1 ATOM 670 C CZ . PHE A 1 81 ? 16.652 -0.393 -5.003 1.00 25.30 81 A 1 ATOM 671 N N . LYS A 1 82 ? 20.610 2.341 0.502 1.00 29.60 82 A 1 ATOM 672 C CA . LYS A 1 82 ? 21.010 2.755 1.848 1.00 29.46 82 A 1 ATOM 673 C C . LYS A 1 82 ? 19.765 3.098 2.659 1.00 29.85 82 A 1 ATOM 674 O O . LYS A 1 82 ? 19.140 4.126 2.432 1.00 29.09 82 A 1 ATOM 675 C CB . LYS A 1 82 ? 22.021 3.909 1.755 1.00 28.15 82 A 1 ATOM 676 C CG . LYS A 1 82 ? 22.652 4.207 3.123 1.00 25.78 82 A 1 ATOM 677 C CD . LYS A 1 82 ? 23.703 5.317 2.994 1.00 24.94 82 A 1 ATOM 678 C CE . LYS A 1 82 ? 24.360 5.581 4.351 1.00 23.14 82 A 1 ATOM 679 N NZ . LYS A 1 82 ? 25.375 6.655 4.254 1.00 21.46 82 A 1 ATOM 680 N N . ILE A 1 83 ? 19.441 2.259 3.650 1.00 26.23 83 A 1 ATOM 681 C CA . ILE A 1 83 ? 18.346 2.529 4.591 1.00 25.93 83 A 1 ATOM 682 C C . ILE A 1 83 ? 18.758 3.709 5.474 1.00 25.78 83 A 1 ATOM 683 O O . ILE A 1 83 ? 19.713 3.614 6.246 1.00 25.22 83 A 1 ATOM 684 C CB . ILE A 1 83 ? 17.997 1.269 5.420 1.00 25.30 83 A 1 ATOM 685 C CG1 . ILE A 1 83 ? 17.610 0.087 4.496 1.00 23.90 83 A 1 ATOM 686 C CG2 . ILE A 1 83 ? 16.858 1.587 6.409 1.00 24.04 83 A 1 ATOM 687 C CD1 . ILE A 1 83 ? 17.411 -1.237 5.239 1.00 23.09 83 A 1 ATOM 688 N N . THR A 1 84 ? 18.056 4.832 5.351 1.00 25.84 84 A 1 ATOM 689 C CA . THR A 1 84 ? 18.350 6.056 6.118 1.00 25.67 84 A 1 ATOM 690 C C . THR A 1 84 ? 17.448 6.230 7.341 1.00 25.82 84 A 1 ATOM 691 O O . THR A 1 84 ? 17.857 6.894 8.293 1.00 24.74 84 A 1 ATOM 692 C CB . THR A 1 84 ? 18.281 7.301 5.221 1.00 24.05 84 A 1 ATOM 693 O OG1 . THR A 1 84 ? 17.078 7.315 4.488 1.00 21.86 84 A 1 ATOM 694 C CG2 . THR A 1 84 ? 19.429 7.337 4.210 1.00 21.65 84 A 1 ATOM 695 N N . LYS A 1 85 ? 16.251 5.613 7.363 1.00 26.37 85 A 1 ATOM 696 C CA . LYS A 1 85 ? 15.313 5.619 8.502 1.00 26.44 85 A 1 ATOM 697 C C . LYS A 1 85 ? 14.482 4.331 8.566 1.00 26.78 85 A 1 ATOM 698 O O . LYS A 1 85 ? 14.116 3.780 7.535 1.00 25.92 85 A 1 ATOM 699 C CB . LYS A 1 85 ? 14.372 6.838 8.424 1.00 25.25 85 A 1 ATOM 700 C CG . LYS A 1 85 ? 15.078 8.161 8.760 1.00 23.37 85 A 1 ATOM 701 C CD . LYS A 1 85 ? 14.067 9.305 8.860 1.00 22.25 85 A 1 ATOM 702 C CE . LYS A 1 85 ? 14.756 10.595 9.314 1.00 20.94 85 A 1 ATOM 703 N NZ . LYS A 1 85 ? 13.765 11.686 9.474 1.00 19.44 85 A 1 ATOM 704 N N . ALA A 1 86 ? 14.158 3.889 9.788 1.00 26.08 86 A 1 ATOM 705 C CA . ALA A 1 86 ? 13.162 2.849 10.040 1.00 25.75 86 A 1 ATOM 706 C C . ALA A 1 86 ? 11.786 3.503 10.226 1.00 26.23 86 A 1 ATOM 707 O O . ALA A 1 86 ? 11.668 4.462 10.989 1.00 25.38 86 A 1 ATOM 708 C CB . ALA A 1 86 ? 13.585 2.034 11.268 1.00 23.90 86 A 1 ATOM 709 N N . VAL A 1 87 ? 10.767 2.989 9.535 1.00 29.13 87 A 1 ATOM 710 C CA . VAL A 1 87 ? 9.386 3.488 9.617 1.00 29.14 87 A 1 ATOM 711 C C . VAL A 1 87 ? 8.553 2.495 10.428 1.00 29.23 87 A 1 ATOM 712 O O . VAL A 1 87 ? 8.609 1.286 10.195 1.00 28.65 87 A 1 ATOM 713 C CB . VAL A 1 87 ? 8.795 3.753 8.216 1.00 27.75 87 A 1 ATOM 714 C CG1 . VAL A 1 87 ? 7.386 4.355 8.305 1.00 25.59 87 A 1 ATOM 715 C CG2 . VAL A 1 87 ? 9.675 4.735 7.423 1.00 25.55 87 A 1 ATOM 716 N N . HIS A 1 88 ? 7.808 2.999 11.414 1.00 28.43 88 A 1 ATOM 717 C CA . HIS A 1 88 ? 6.831 2.197 12.148 1.00 28.79 88 A 1 ATOM 718 C C . HIS A 1 88 ? 5.518 2.121 11.360 1.00 29.11 88 A 1 ATOM 719 O O . HIS A 1 88 ? 5.042 3.115 10.820 1.00 28.06 88 A 1 ATOM 720 C CB . HIS A 1 88 ? 6.622 2.746 13.562 1.00 27.51 88 A 1 ATOM 721 C CG . HIS A 1 88 ? 7.722 2.338 14.514 1.00 25.78 88 A 1 ATOM 722 N ND1 . HIS A 1 88 ? 7.841 1.113 15.126 1.00 24.24 88 A 1 ATOM 723 C CD2 . HIS A 1 88 ? 8.782 3.097 14.937 1.00 24.41 88 A 1 ATOM 724 C CE1 . HIS A 1 88 ? 8.944 1.131 15.893 1.00 22.72 88 A 1 ATOM 725 N NE2 . HIS A 1 88 ? 9.549 2.322 15.811 1.00 22.80 88 A 1 ATOM 726 N N . VAL A 1 89 ? 4.951 0.927 11.305 1.00 34.47 89 A 1 ATOM 727 C CA . VAL A 1 89 ? 3.795 0.582 10.475 1.00 34.79 89 A 1 ATOM 728 C C . VAL A 1 89 ? 2.493 0.851 11.225 1.00 34.98 89 A 1 ATOM 729 O O . VAL A 1 89 ? 2.371 0.481 12.388 1.00 34.43 89 A 1 ATOM 730 C CB . VAL A 1 89 ? 3.909 -0.888 10.074 1.00 33.46 89 A 1 ATOM 731 C CG1 . VAL A 1 89 ? 2.666 -1.342 9.315 1.00 30.84 89 A 1 ATOM 732 C CG2 . VAL A 1 89 ? 5.189 -1.097 9.243 1.00 30.76 89 A 1 ATOM 733 N N . ALA A 1 90 ? 1.539 1.468 10.533 1.00 38.18 90 A 1 ATOM 734 C CA . ALA A 1 90 ? 0.209 1.770 11.045 1.00 38.74 90 A 1 ATOM 735 C C . ALA A 1 90 ? -0.717 0.535 10.989 1.00 39.19 90 A 1 ATOM 736 O O . ALA A 1 90 ? -0.748 -0.196 10.000 1.00 37.99 90 A 1 ATOM 737 C CB . ALA A 1 90 ? -0.351 2.946 10.239 1.00 37.31 90 A 1 ATOM 738 N N . THR A 1 91 ? -1.495 0.341 12.047 1.00 37.11 91 A 1 ATOM 739 C CA . THR A 1 91 ? -2.521 -0.710 12.130 1.00 38.16 91 A 1 ATOM 740 C C . THR A 1 91 ? -3.791 -0.308 11.370 1.00 38.69 91 A 1 ATOM 741 O O . THR A 1 91 ? -4.023 0.870 11.091 1.00 37.49 91 A 1 ATOM 742 C CB . THR A 1 91 ? -2.868 -1.028 13.593 1.00 36.36 91 A 1 ATOM 743 O OG1 . THR A 1 91 ? -3.508 0.063 14.211 1.00 33.55 91 A 1 ATOM 744 C CG2 . THR A 1 91 ? -1.653 -1.407 14.437 1.00 32.99 91 A 1 ATOM 745 N N . SER A 1 92 ? -4.704 -1.246 11.097 1.00 41.36 92 A 1 ATOM 746 C CA . SER A 1 92 ? -6.013 -0.937 10.490 1.00 42.17 92 A 1 ATOM 747 C C . SER A 1 92 ? -6.828 0.098 11.280 1.00 43.03 92 A 1 ATOM 748 O O . SER A 1 92 ? -7.619 0.854 10.710 1.00 41.40 92 A 1 ATOM 749 C CB . SER A 1 92 ? -6.833 -2.225 10.344 1.00 39.84 92 A 1 ATOM 750 O OG . SER A 1 92 ? -7.017 -2.858 11.601 1.00 36.16 92 A 1 ATOM 751 N N . LYS A 1 93 ? -6.605 0.162 12.597 1.00 45.98 93 A 1 ATOM 752 C CA . LYS A 1 93 ? -7.198 1.172 13.474 1.00 46.92 93 A 1 ATOM 753 C C . LYS A 1 93 ? -6.567 2.550 13.250 1.00 47.06 93 A 1 ATOM 754 O O . LYS A 1 93 ? -7.299 3.534 13.139 1.00 46.64 93 A 1 ATOM 755 C CB . LYS A 1 93 ? -7.064 0.690 14.920 1.00 47.39 93 A 1 ATOM 756 C CG . LYS A 1 93 ? -7.887 1.560 15.869 1.00 44.74 93 A 1 ATOM 757 C CD . LYS A 1 93 ? -7.705 1.096 17.314 1.00 43.52 93 A 1 ATOM 758 C CE . LYS A 1 93 ? -8.455 2.070 18.215 1.00 41.11 93 A 1 ATOM 759 N NZ . LYS A 1 93 ? -8.121 1.858 19.637 1.00 37.77 93 A 1 ATOM 760 N N . ASP A 1 94 ? -5.253 2.613 13.087 1.00 43.62 94 A 1 ATOM 761 C CA . ASP A 1 94 ? -4.525 3.853 12.805 1.00 44.60 94 A 1 ATOM 762 C C . ASP A 1 94 ? -4.921 4.431 11.440 1.00 44.67 94 A 1 ATOM 763 O O . ASP A 1 94 ? -5.083 5.641 11.307 1.00 43.85 94 A 1 ATOM 764 C CB . ASP A 1 94 ? -3.009 3.610 12.839 1.00 43.12 94 A 1 ATOM 765 C CG . ASP A 1 94 ? -2.508 3.033 14.162 1.00 39.35 94 A 1 ATOM 766 O OD1 . ASP A 1 94 ? -2.945 3.509 15.230 1.00 36.85 94 A 1 ATOM 767 O OD2 . ASP A 1 94 ? -1.713 2.066 14.093 1.00 36.66 94 A 1 ATOM 768 N N . VAL A 1 95 ? -5.166 3.586 10.436 1.00 43.11 95 A 1 ATOM 769 C CA . VAL A 1 95 ? -5.673 4.015 9.119 1.00 43.23 95 A 1 ATOM 770 C C . VAL A 1 95 ? -7.035 4.693 9.244 1.00 43.18 95 A 1 ATOM 771 O O . VAL A 1 95 ? -7.266 5.741 8.644 1.00 42.74 95 A 1 ATOM 772 C CB . VAL A 1 95 ? -5.767 2.826 8.146 1.00 41.76 95 A 1 ATOM 773 C CG1 . VAL A 1 95 ? -6.351 3.223 6.778 1.00 38.82 95 A 1 ATOM 774 C CG2 . VAL A 1 95 ? -4.380 2.234 7.904 1.00 37.60 95 A 1 ATOM 775 N N . THR A 1 96 ? -7.927 4.136 10.059 1.00 44.43 96 A 1 ATOM 776 C CA . THR A 1 96 ? -9.252 4.722 10.303 1.00 45.45 96 A 1 ATOM 777 C C . THR A 1 96 ? -9.132 6.088 10.990 1.00 45.99 96 A 1 ATOM 778 O O . THR A 1 96 ? -9.808 7.040 10.593 1.00 45.27 96 A 1 ATOM 779 C CB . THR A 1 96 ? -10.127 3.776 11.139 1.00 44.37 96 A 1 ATOM 780 O OG1 . THR A 1 96 ? -10.193 2.499 10.538 1.00 40.24 96 A 1 ATOM 781 C CG2 . THR A 1 96 ? -11.567 4.275 11.257 1.00 38.88 96 A 1 ATOM 782 N N . GLU A 1 97 ? -8.235 6.224 11.969 1.00 45.62 97 A 1 ATOM 783 C CA . GLU A 1 97 ? -7.975 7.491 12.662 1.00 46.61 97 A 1 ATOM 784 C C . GLU A 1 97 ? -7.308 8.532 11.746 1.00 46.32 97 A 1 ATOM 785 O O . GLU A 1 97 ? -7.679 9.705 11.779 1.00 45.91 97 A 1 ATOM 786 C CB . GLU A 1 97 ? -7.138 7.236 13.928 1.00 46.66 97 A 1 ATOM 787 C CG . GLU A 1 97 ? -7.967 6.540 15.026 1.00 42.26 97 A 1 ATOM 788 C CD . GLU A 1 97 ? -7.204 6.306 16.350 1.00 40.59 97 A 1 ATOM 789 O OE1 . GLU A 1 97 ? -7.777 5.616 17.233 1.00 39.39 97 A 1 ATOM 790 O OE2 . GLU A 1 97 ? -6.072 6.819 16.499 1.00 39.79 97 A 1 ATOM 791 N N . ILE A 1 98 ? -6.385 8.121 10.872 1.00 43.90 98 A 1 ATOM 792 C CA . ILE A 1 98 ? -5.747 8.997 9.875 1.00 43.74 98 A 1 ATOM 793 C C . ILE A 1 98 ? -6.788 9.520 8.875 1.00 43.32 98 A 1 ATOM 794 O O . ILE A 1 98 ? -6.839 10.723 8.616 1.00 42.60 98 A 1 ATOM 795 C CB . ILE A 1 98 ? -4.586 8.255 9.170 1.00 42.38 98 A 1 ATOM 796 C CG1 . ILE A 1 98 ? -3.406 8.055 10.153 1.00 38.82 98 A 1 ATOM 797 C CG2 . ILE A 1 98 ? -4.091 9.019 7.924 1.00 37.55 98 A 1 ATOM 798 C CD1 . ILE A 1 98 ? -2.389 7.002 9.691 1.00 36.25 98 A 1 ATOM 799 N N . VAL A 1 99 ? -7.647 8.646 8.347 1.00 42.73 99 A 1 ATOM 800 C CA . VAL A 1 99 ? -8.723 9.033 7.414 1.00 43.10 99 A 1 ATOM 801 C C . VAL A 1 99 ? -9.713 9.990 8.087 1.00 43.21 99 A 1 ATOM 802 O O . VAL A 1 99 ? -10.079 11.003 7.489 1.00 42.58 99 A 1 ATOM 803 C CB . VAL A 1 99 ? -9.430 7.787 6.847 1.00 41.58 99 A 1 ATOM 804 C CG1 . VAL A 1 99 ? -10.684 8.138 6.030 1.00 38.27 99 A 1 ATOM 805 C CG2 . VAL A 1 99 ? -8.488 7.015 5.909 1.00 36.95 99 A 1 ATOM 806 N N . LEU A 1 100 ? -10.097 9.731 9.332 1.00 48.13 100 A 1 ATOM 807 C CA . LEU A 1 100 ? -10.948 10.639 10.110 1.00 49.47 100 A 1 ATOM 808 C C . LEU A 1 100 ? -10.270 11.997 10.320 1.00 49.71 100 A 1 ATOM 809 O O . LEU A 1 100 ? -10.869 13.031 10.022 1.00 49.39 100 A 1 ATOM 810 C CB . LEU A 1 100 ? -11.319 9.984 11.451 1.00 49.03 100 A 1 ATOM 811 C CG . LEU A 1 100 ? -12.420 8.914 11.335 1.00 45.73 100 A 1 ATOM 812 C CD1 . LEU A 1 100 ? -12.490 8.090 12.625 1.00 43.55 100 A 1 ATOM 813 C CD2 . LEU A 1 100 ? -13.796 9.541 11.106 1.00 43.83 100 A 1 ATOM 814 N N . HIS A 1 101 ? -8.999 12.021 10.716 1.00 45.92 101 A 1 ATOM 815 C CA . HIS A 1 101 ? -8.257 13.259 10.969 1.00 46.16 101 A 1 ATOM 816 C C . HIS A 1 101 ? -8.036 14.100 9.698 1.00 45.67 101 A 1 ATOM 817 O O . HIS A 1 101 ? -8.090 15.334 9.736 1.00 45.25 101 A 1 ATOM 818 C CB . HIS A 1 101 ? -6.920 12.898 11.627 1.00 45.09 101 A 1 ATOM 819 C CG . HIS A 1 101 ? -6.293 14.073 12.331 1.00 41.12 101 A 1 ATOM 820 N ND1 . HIS A 1 101 ? -6.785 14.655 13.475 1.00 38.15 101 A 1 ATOM 821 C CD2 . HIS A 1 101 ? -5.165 14.766 11.979 1.00 37.67 101 A 1 ATOM 822 C CE1 . HIS A 1 101 ? -5.972 15.669 13.807 1.00 36.44 101 A 1 ATOM 823 N NE2 . HIS A 1 101 ? -4.964 15.780 12.926 1.00 36.28 101 A 1 ATOM 824 N N . LEU A 1 102 ? -7.822 13.451 8.553 1.00 41.02 102 A 1 ATOM 825 C CA . LEU A 1 102 ? -7.755 14.118 7.248 1.00 41.25 102 A 1 ATOM 826 C C . LEU A 1 102 ? -9.126 14.664 6.826 1.00 41.16 102 A 1 ATOM 827 O O . LEU A 1 102 ? -9.204 15.777 6.307 1.00 40.50 102 A 1 ATOM 828 C CB . LEU A 1 102 ? -7.189 13.137 6.205 1.00 39.59 102 A 1 ATOM 829 C CG . LEU A 1 102 ? -5.685 12.823 6.371 1.00 36.91 102 A 1 ATOM 830 C CD1 . LEU A 1 102 ? -5.292 11.688 5.425 1.00 34.12 102 A 1 ATOM 831 C CD2 . LEU A 1 102 ? -4.801 14.033 6.059 1.00 33.85 102 A 1 ATOM 832 N N . SER A 1 103 ? -10.205 13.939 7.111 1.00 43.50 103 A 1 ATOM 833 C CA . SER A 1 103 ? -11.575 14.376 6.810 1.00 43.81 103 A 1 ATOM 834 C C . SER A 1 103 ? -12.027 15.599 7.622 1.00 43.64 103 A 1 ATOM 835 O O . SER A 1 103 ? -12.780 16.423 7.111 1.00 42.54 103 A 1 ATOM 836 C CB . SER A 1 103 ? -12.561 13.211 6.971 1.00 42.21 103 A 1 ATOM 837 O OG . SER A 1 103 ? -12.890 12.932 8.321 1.00 38.99 103 A 1 ATOM 838 N N . GLU A 1 104 ? -11.521 15.768 8.848 1.00 45.63 104 A 1 ATOM 839 C CA . GLU A 1 104 ? -11.825 16.932 9.697 1.00 46.71 104 A 1 ATOM 840 C C . GLU A 1 104 ? -11.098 18.209 9.246 1.00 46.29 104 A 1 ATOM 841 O O . GLU A 1 104 ? -11.573 19.322 9.489 1.00 45.87 104 A 1 ATOM 842 C CB . GLU A 1 104 ? -11.446 16.618 11.149 1.00 47.37 104 A 1 ATOM 843 C CG . GLU A 1 104 ? -12.416 15.640 11.828 1.00 43.64 104 A 1 ATOM 844 C CD . GLU A 1 104 ? -12.025 15.327 13.285 1.00 42.00 104 A 1 ATOM 845 O OE1 . GLU A 1 104 ? -12.882 14.754 13.992 1.00 40.85 104 A 1 ATOM 846 O OE2 . GLU A 1 104 ? -10.891 15.678 13.699 1.00 41.34 104 A 1 ATOM 847 N N . ARG A 1 105 ? -9.945 18.074 8.582 1.00 41.97 105 A 1 ATOM 848 C CA . ARG A 1 105 ? -9.151 19.217 8.099 1.00 41.99 105 A 1 ATOM 849 C C . ARG A 1 105 ? -9.539 19.696 6.704 1.00 40.31 105 A 1 ATOM 850 O O . ARG A 1 105 ? -9.198 20.820 6.337 1.00 38.78 105 A 1 ATOM 851 C CB . ARG A 1 105 ? -7.659 18.888 8.170 1.00 40.54 105 A 1 ATOM 852 C CG . ARG A 1 105 ? -7.161 18.962 9.615 1.00 37.10 105 A 1 ATOM 853 C CD . ARG A 1 105 ? -5.633 18.906 9.640 1.00 36.04 105 A 1 ATOM 854 N NE . ARG A 1 105 ? -5.117 19.169 10.992 1.00 33.92 105 A 1 ATOM 855 C CZ . ARG A 1 105 ? -3.874 19.484 11.304 1.00 31.56 105 A 1 ATOM 856 N NH1 . ARG A 1 105 ? -2.940 19.566 10.398 1.00 31.07 105 A 1 ATOM 857 N NH2 . ARG A 1 105 ? -3.552 19.718 12.546 1.00 30.91 105 A 1 ATOM 858 N N . ILE A 1 106 ? -10.242 18.872 5.942 1.00 35.09 106 A 1 ATOM 859 C CA . ILE A 1 106 ? -10.701 19.194 4.595 1.00 35.05 106 A 1 ATOM 860 C C . ILE A 1 106 ? -12.206 19.451 4.697 1.00 34.98 106 A 1 ATOM 861 O O . ILE A 1 106 ? -12.986 18.537 4.943 1.00 33.84 106 A 1 ATOM 862 C CB . ILE A 1 106 ? -10.303 18.081 3.605 1.00 33.33 106 A 1 ATOM 863 C CG1 . ILE A 1 106 ? -8.763 17.868 3.614 1.00 30.91 106 A 1 ATOM 864 C CG2 . ILE A 1 106 ? -10.786 18.469 2.193 1.00 30.95 106 A 1 ATOM 865 C CD1 . ILE A 1 106 ? -8.276 16.657 2.820 1.00 29.53 106 A 1 ATOM 866 N N . SER A 1 107 ? -12.621 20.701 4.522 1.00 33.50 107 A 1 ATOM 867 C CA . SER A 1 107 ? -13.983 21.218 4.768 1.00 33.76 107 A 1 ATOM 868 C C . SER A 1 107 ? -15.090 20.672 3.840 1.00 33.84 107 A 1 ATOM 869 O O . SER A 1 107 ? -16.093 21.352 3.595 1.00 32.53 107 A 1 ATOM 870 C CB . SER A 1 107 ? -13.966 22.755 4.690 1.00 32.44 107 A 1 ATOM 871 O OG . SER A 1 107 ? -12.800 23.299 5.278 1.00 30.27 107 A 1 ATOM 872 N N . SER A 1 108 ? -14.936 19.480 3.280 1.00 31.07 108 A 1 ATOM 873 C CA . SER A 1 108 ? -15.923 18.822 2.421 1.00 31.24 108 A 1 ATOM 874 C C . SER A 1 108 ? -16.046 17.345 2.782 1.00 31.21 108 A 1 ATOM 875 O O . SER A 1 108 ? -15.023 16.675 2.910 1.00 29.93 108 A 1 ATOM 876 C CB . SER A 1 108 ? -15.538 18.977 0.950 1.00 29.57 108 A 1 ATOM 877 O OG . SER A 1 108 ? -15.774 20.313 0.552 1.00 27.51 108 A 1 ATOM 878 N N . PRO A 1 109 ? -17.273 16.807 2.942 1.00 30.21 109 A 1 ATOM 879 C CA . PRO A 1 109 ? -17.474 15.420 3.339 1.00 30.19 109 A 1 ATOM 880 C C . PRO A 1 109 ? -16.971 14.493 2.231 1.00 30.24 109 A 1 ATOM 881 O O . PRO A 1 109 ? -17.516 14.459 1.128 1.00 29.34 109 A 1 ATOM 882 C CB . PRO A 1 109 ? -18.977 15.284 3.614 1.00 28.58 109 A 1 ATOM 883 C CG . PRO A 1 109 ? -19.606 16.380 2.757 1.00 28.02 109 A 1 ATOM 884 C CD . PRO A 1 109 ? -18.544 17.475 2.734 1.00 30.01 109 A 1 ATOM 885 N N . PHE A 1 110 ? -15.931 13.720 2.542 1.00 28.17 110 A 1 ATOM 886 C CA . PHE A 1 110 ? -15.521 12.591 1.714 1.00 27.91 110 A 1 ATOM 887 C C . PHE A 1 110 ? -16.629 11.533 1.729 1.00 27.92 110 A 1 ATOM 888 O O . PHE A 1 110 ? -17.102 11.163 2.809 1.00 27.09 110 A 1 ATOM 889 C CB . PHE A 1 110 ? -14.206 11.995 2.231 1.00 26.99 110 A 1 ATOM 890 C CG . PHE A 1 110 ? -12.977 12.739 1.759 1.00 25.41 110 A 1 ATOM 891 C CD1 . PHE A 1 110 ? -12.347 12.351 0.562 1.00 24.09 110 A 1 ATOM 892 C CD2 . PHE A 1 110 ? -12.464 13.812 2.502 1.00 24.10 110 A 1 ATOM 893 C CE1 . PHE A 1 110 ? -11.203 13.030 0.109 1.00 22.80 110 A 1 ATOM 894 C CE2 . PHE A 1 110 ? -11.321 14.494 2.045 1.00 22.95 110 A 1 ATOM 895 C CZ . PHE A 1 110 ? -10.691 14.101 0.848 1.00 22.77 110 A 1 ATOM 896 N N . PRO A 1 111 ? -17.041 10.982 0.576 1.00 27.71 111 A 1 ATOM 897 C CA . PRO A 1 111 ? -17.758 9.726 0.582 1.00 27.53 111 A 1 ATOM 898 C C . PRO A 1 111 ? -16.765 8.655 1.039 1.00 27.63 111 A 1 ATOM 899 O O . PRO A 1 111 ? -15.896 8.234 0.283 1.00 27.14 111 A 1 ATOM 900 C CB . PRO A 1 111 ? -18.272 9.543 -0.850 1.00 26.63 111 A 1 ATOM 901 C CG . PRO A 1 111 ? -17.252 10.298 -1.697 1.00 26.24 111 A 1 ATOM 902 C CD . PRO A 1 111 ? -16.715 11.396 -0.772 1.00 27.76 111 A 1 ATOM 903 N N . ILE A 1 112 ? -16.887 8.239 2.303 1.00 27.13 112 A 1 ATOM 904 C CA . ILE A 1 112 ? -16.224 7.035 2.803 1.00 27.03 112 A 1 ATOM 905 C C . ILE A 1 112 ? -16.763 5.885 1.953 1.00 26.91 112 A 1 ATOM 906 O O . ILE A 1 112 ? -17.919 5.481 2.111 1.00 26.29 112 A 1 ATOM 907 C CB . ILE A 1 112 ? -16.498 6.835 4.314 1.00 26.38 112 A 1 ATOM 908 C CG1 . ILE A 1 112 ? -15.977 8.041 5.136 1.00 24.92 112 A 1 ATOM 909 C CG2 . ILE A 1 112 ? -15.860 5.523 4.805 1.00 25.21 112 A 1 ATOM 910 C CD1 . ILE A 1 112 ? -16.375 8.010 6.618 1.00 24.06 112 A 1 ATOM 911 N N . VAL A 1 113 ? -15.958 5.382 1.016 1.00 26.33 113 A 1 ATOM 912 C CA . VAL A 1 113 ? -16.278 4.140 0.310 1.00 26.37 113 A 1 ATOM 913 C C . VAL A 1 113 ? -16.256 3.037 1.357 1.00 26.14 113 A 1 ATOM 914 O O . VAL A 1 113 ? -15.224 2.702 1.930 1.00 25.56 113 A 1 ATOM 915 C CB . VAL A 1 113 ? -15.337 3.866 -0.870 1.00 25.59 113 A 1 ATOM 916 C CG1 . VAL A 1 113 ? -15.713 2.556 -1.573 1.00 23.75 113 A 1 ATOM 917 C CG2 . VAL A 1 113 ? -15.441 5.000 -1.905 1.00 23.93 113 A 1 ATOM 918 N N . LYS A 1 114 ? -17.451 2.531 1.659 1.00 24.56 114 A 1 ATOM 919 C CA . LYS A 1 114 ? -17.749 1.629 2.772 1.00 24.69 114 A 1 ATOM 920 C C . LYS A 1 114 ? -17.483 0.163 2.404 1.00 25.03 114 A 1 ATOM 921 O O . LYS A 1 114 ? -18.205 -0.708 2.857 1.00 24.15 114 A 1 ATOM 922 C CB . LYS A 1 114 ? -19.191 1.914 3.238 1.00 23.43 114 A 1 ATOM 923 C CG . LYS A 1 114 ? -19.345 1.922 4.760 1.00 21.63 114 A 1 ATOM 924 C CD . LYS A 1 114 ? -20.819 2.123 5.115 1.00 20.59 114 A 1 ATOM 925 C CE . LYS A 1 114 ? -20.992 2.343 6.609 1.00 19.03 114 A 1 ATOM 926 N NZ . LYS A 1 114 ? -22.427 2.444 6.973 1.00 17.81 114 A 1 ATOM 927 N N . GLU A 1 115 ? -16.495 -0.120 1.589 1.00 23.70 115 A 1 ATOM 928 C CA . GLU A 1 115 ? -16.132 -1.492 1.205 1.00 23.54 115 A 1 ATOM 929 C C . GLU A 1 115 ? -14.650 -1.743 1.486 1.00 23.58 115 A 1 ATOM 930 O O . GLU A 1 115 ? -13.778 -1.658 0.632 1.00 22.81 115 A 1 ATOM 931 C CB . GLU A 1 115 ? -16.568 -1.812 -0.235 1.00 22.60 115 A 1 ATOM 932 C CG . GLU A 1 115 ? -18.055 -2.198 -0.262 1.00 20.83 115 A 1 ATOM 933 C CD . GLU A 1 115 ? -18.565 -2.633 -1.642 1.00 19.81 115 A 1 ATOM 934 O OE1 . GLU A 1 115 ? -19.648 -3.264 -1.667 1.00 18.43 115 A 1 ATOM 935 O OE2 . GLU A 1 115 ? -17.913 -2.300 -2.658 1.00 18.69 115 A 1 ATOM 936 N N . VAL A 1 116 ? -14.380 -2.089 2.743 1.00 25.06 116 A 1 ATOM 937 C CA . VAL A 1 116 ? -13.269 -2.992 3.036 1.00 25.02 116 A 1 ATOM 938 C C . VAL A 1 116 ? -13.746 -4.362 2.573 1.00 24.80 116 A 1 ATOM 939 O O . VAL A 1 116 ? -14.567 -4.992 3.240 1.00 24.23 116 A 1 ATOM 940 C CB . VAL A 1 116 ? -12.902 -2.980 4.531 1.00 24.41 116 A 1 ATOM 941 C CG1 . VAL A 1 116 ? -11.741 -3.940 4.826 1.00 22.62 116 A 1 ATOM 942 C CG2 . VAL A 1 116 ? -12.490 -1.576 4.995 1.00 22.82 116 A 1 ATOM 943 N N . VAL A 1 117 ? -13.304 -4.793 1.396 1.00 22.87 117 A 1 ATOM 944 C CA . VAL A 1 117 ? -13.576 -6.149 0.916 1.00 22.56 117 A 1 ATOM 945 C C . VAL A 1 117 ? -12.713 -7.100 1.740 1.00 22.55 117 A 1 ATOM 946 O O . VAL A 1 117 ? -11.504 -7.196 1.542 1.00 21.88 117 A 1 ATOM 947 C CB . VAL A 1 117 ? -13.341 -6.293 -0.601 1.00 21.73 117 A 1 ATOM 948 C CG1 . VAL A 1 117 ? -13.697 -7.709 -1.078 1.00 19.89 117 A 1 ATOM 949 C CG2 . VAL A 1 117 ? -14.213 -5.309 -1.398 1.00 20.07 117 A 1 ATOM 950 N N . TYR A 1 118 ? -13.351 -7.772 2.700 1.00 21.13 118 A 1 ATOM 951 C CA . TYR A 1 118 ? -12.787 -8.968 3.314 1.00 20.96 118 A 1 ATOM 952 C C . TYR A 1 118 ? -12.894 -10.087 2.275 1.00 21.00 118 A 1 ATOM 953 O O . TYR A 1 118 ? -13.999 -10.439 1.860 1.00 20.40 118 A 1 ATOM 954 C CB . TYR A 1 118 ? -13.547 -9.315 4.603 1.00 20.29 118 A 1 ATOM 955 C CG . TYR A 1 118 ? -13.350 -8.328 5.741 1.00 19.01 118 A 1 ATOM 956 C CD1 . TYR A 1 118 ? -12.304 -8.519 6.666 1.00 18.03 118 A 1 ATOM 957 C CD2 . TYR A 1 118 ? -14.209 -7.217 5.877 1.00 17.78 118 A 1 ATOM 958 C CE1 . TYR A 1 118 ? -12.113 -7.605 7.719 1.00 17.00 118 A 1 ATOM 959 C CE2 . TYR A 1 118 ? -14.016 -6.295 6.925 1.00 17.18 118 A 1 ATOM 960 C CZ . TYR A 1 118 ? -12.966 -6.488 7.846 1.00 17.13 118 A 1 ATOM 961 O OH . TYR A 1 118 ? -12.775 -5.597 8.858 1.00 15.79 118 A 1 ATOM 962 N N . LEU A 1 119 ? -11.767 -10.620 1.831 1.00 21.21 119 A 1 ATOM 963 C CA . LEU A 1 119 ? -11.722 -11.900 1.127 1.00 20.95 119 A 1 ATOM 964 C C . LEU A 1 119 ? -11.156 -12.924 2.110 1.00 20.97 119 A 1 ATOM 965 O O . LEU A 1 119 ? -10.070 -12.701 2.641 1.00 20.48 119 A 1 ATOM 966 C CB . LEU A 1 119 ? -10.910 -11.776 -0.176 1.00 20.19 119 A 1 ATOM 967 C CG . LEU A 1 119 ? -11.587 -10.908 -1.256 1.00 18.78 119 A 1 ATOM 968 C CD1 . LEU A 1 119 ? -10.622 -10.675 -2.423 1.00 17.49 119 A 1 ATOM 969 C CD2 . LEU A 1 119 ? -12.854 -11.556 -1.828 1.00 17.95 119 A 1 ATOM 970 N N . ASP A 1 120 ? -11.964 -13.963 2.365 1.00 19.14 120 A 1 ATOM 971 C CA . ASP A 1 120 ? -11.628 -15.137 3.182 1.00 19.19 120 A 1 ATOM 972 C C . ASP A 1 120 ? -10.336 -15.842 2.707 1.00 18.63 120 A 1 ATOM 973 O O . ASP A 1 120 ? -10.103 -15.894 1.476 1.00 17.66 120 A 1 ATOM 974 C CB . ASP A 1 120 ? -12.805 -16.146 3.165 1.00 18.42 120 A 1 ATOM 975 C CG . ASP A 1 120 ? -14.079 -15.750 3.940 1.00 17.31 120 A 1 ATOM 976 O OD1 . ASP A 1 120 ? -13.972 -15.093 5.001 1.00 16.46 120 A 1 ATOM 977 O OD2 . ASP A 1 120 ? -15.184 -16.156 3.493 1.00 16.07 120 A 1 ATOM 978 O OXT . ASP A 1 120 ? -9.606 -16.330 3.602 1.00 15.50 120 A 1 #