data_5O33 # _entry.id 5O33 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.383 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code _database_2.pdbx_database_accession _database_2.pdbx_DOI PDB 5O33 pdb_00005o33 10.2210/pdb5o33/pdb WWPDB D_1200005080 ? ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2017-05-31 2 'Structure model' 1 1 2019-10-16 3 'Structure model' 1 2 2024-01-17 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? _pdbx_audit_revision_details.details ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Data collection' 2 3 'Structure model' 'Data collection' 3 3 'Structure model' 'Database references' 4 3 'Structure model' 'Refinement description' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' reflns_shell 2 3 'Structure model' chem_comp_atom 3 3 'Structure model' chem_comp_bond 4 3 'Structure model' database_2 5 3 'Structure model' pdbx_initial_refinement_model # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 3 'Structure model' '_database_2.pdbx_DOI' 2 3 'Structure model' '_database_2.pdbx_database_accession' # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5O33 _pdbx_database_status.recvd_initial_deposition_date 2017-05-23 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_nmr_data ? # loop_ _audit_author.name _audit_author.pdbx_ordinal _audit_author.identifier_ORCID 'Gray, J.' 1 ? 'Krojer, T.' 2 ? 'Talon, R.' 3 ? 'Fairhead, M.' 4 ? 'Bountra, C.' 5 ? 'Arrowsmith, C.H.' 6 ? 'Edwards, A.' 7 ? 'Brennan, P.' 8 ? 'von Delft, F.' 9 ? # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country ? _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'To Be Published' _citation.journal_id_ASTM ? _citation.journal_id_CSD 0353 _citation.journal_id_ISSN ? _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume ? _citation.language ? _citation.page_first ? _citation.page_last ? _citation.title 'A structure of the GEF Kalirin DH1 domain in complex with the small GTPase Rac1' _citation.year ? _citation.database_id_CSD ? _citation.pdbx_database_id_DOI ? _citation.pdbx_database_id_PubMed ? _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal _citation_author.identifier_ORCID primary 'Gray, J.' 1 ? primary 'Krojer, T.' 2 ? primary 'Talon, R.' 3 ? primary 'Fairhead, M.' 4 ? primary 'Bountra, C.' 5 ? primary 'Arrowsmith, C.H.' 6 ? primary 'Edwards, A.' 7 ? primary 'Brennan, P.' 8 ? primary 'von Delft, F.' 9 ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Ras-related C3 botulinum toxin substrate 1' 19710.764 1 ? ? ? ? 2 polymer man Kalirin 21056.195 1 2.7.11.1 ? 'UNP residues 1253-1432' ? 3 non-polymer syn 1,2-ETHANEDIOL 62.068 6 ? ? ? ? 4 non-polymer syn "GUANOSINE-5'-DIPHOSPHATE" 443.201 1 ? ? ? ? 5 water nat water 18.015 282 ? ? ? ? # loop_ _entity_name_com.entity_id _entity_name_com.name 1 'Cell migration-inducing gene 5 protein,Ras-like protein TC25,p21-Rac1' 2 ;Huntingtin-associated protein-interacting protein,PAM COOH-terminal interactor protein 10,P-CIP10,Protein Duo,Serine/threonine-protein kinase with Dbl- and pleckstrin homology domain ; # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;MQAIKCVVVGDGAVGKTCLLISYTTNAFPGEYIPTVFDNYSANVMVDGKPVNLGLWDTAGQEDYDRLRPLSYPQTDVFLI CFSLVSPASFENVRAKWYPEVRHHCPNTPIILVGTKLDLRDDKDTIEKLKEKKLTPITYPQGLAMAKEIGAVKYLECSAL TQRGLKTVFDEAIRAVL ; ;MQAIKCVVVGDGAVGKTCLLISYTTNAFPGEYIPTVFDNYSANVMVDGKPVNLGLWDTAGQEDYDRLRPLSYPQTDVFLI CFSLVSPASFENVRAKWYPEVRHHCPNTPIILVGTKLDLRDDKDTIEKLKEKKLTPITYPQGLAMAKEIGAVKYLECSAL TQRGLKTVFDEAIRAVL ; A ? 2 'polypeptide(L)' no no ;RKKEFIMAELLQTEKAYVRDLHECLETYLWEMTSGVEEIPPGILNKEHIIFGNIQEIYDFHNNIFLKELEKYEQLPEDVG HCFVTWADKFQMYVTYCKNKPDSNQLILEHAGTFFDEIQQRHGLANSISSYLIKPVQRVTKYQLLLKELLTCCEEGKGEL KDGLEVMLSVPKKANDAMHV ; ;RKKEFIMAELLQTEKAYVRDLHECLETYLWEMTSGVEEIPPGILNKEHIIFGNIQEIYDFHNNIFLKELEKYEQLPEDVG HCFVTWADKFQMYVTYCKNKPDSNQLILEHAGTFFDEIQQRHGLANSISSYLIKPVQRVTKYQLLLKELLTCCEEGKGEL KDGLEVMLSVPKKANDAMHV ; B ? # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 1,2-ETHANEDIOL EDO 4 "GUANOSINE-5'-DIPHOSPHATE" GDP 5 water HOH # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET n 1 2 GLN n 1 3 ALA n 1 4 ILE n 1 5 LYS n 1 6 CYS n 1 7 VAL n 1 8 VAL n 1 9 VAL n 1 10 GLY n 1 11 ASP n 1 12 GLY n 1 13 ALA n 1 14 VAL n 1 15 GLY n 1 16 LYS n 1 17 THR n 1 18 CYS n 1 19 LEU n 1 20 LEU n 1 21 ILE n 1 22 SER n 1 23 TYR n 1 24 THR n 1 25 THR n 1 26 ASN n 1 27 ALA n 1 28 PHE n 1 29 PRO n 1 30 GLY n 1 31 GLU n 1 32 TYR n 1 33 ILE n 1 34 PRO n 1 35 THR n 1 36 VAL n 1 37 PHE n 1 38 ASP n 1 39 ASN n 1 40 TYR n 1 41 SER n 1 42 ALA n 1 43 ASN n 1 44 VAL n 1 45 MET n 1 46 VAL n 1 47 ASP n 1 48 GLY n 1 49 LYS n 1 50 PRO n 1 51 VAL n 1 52 ASN n 1 53 LEU n 1 54 GLY n 1 55 LEU n 1 56 TRP n 1 57 ASP n 1 58 THR n 1 59 ALA n 1 60 GLY n 1 61 GLN n 1 62 GLU n 1 63 ASP n 1 64 TYR n 1 65 ASP n 1 66 ARG n 1 67 LEU n 1 68 ARG n 1 69 PRO n 1 70 LEU n 1 71 SER n 1 72 TYR n 1 73 PRO n 1 74 GLN n 1 75 THR n 1 76 ASP n 1 77 VAL n 1 78 PHE n 1 79 LEU n 1 80 ILE n 1 81 CYS n 1 82 PHE n 1 83 SER n 1 84 LEU n 1 85 VAL n 1 86 SER n 1 87 PRO n 1 88 ALA n 1 89 SER n 1 90 PHE n 1 91 GLU n 1 92 ASN n 1 93 VAL n 1 94 ARG n 1 95 ALA n 1 96 LYS n 1 97 TRP n 1 98 TYR n 1 99 PRO n 1 100 GLU n 1 101 VAL n 1 102 ARG n 1 103 HIS n 1 104 HIS n 1 105 CYS n 1 106 PRO n 1 107 ASN n 1 108 THR n 1 109 PRO n 1 110 ILE n 1 111 ILE n 1 112 LEU n 1 113 VAL n 1 114 GLY n 1 115 THR n 1 116 LYS n 1 117 LEU n 1 118 ASP n 1 119 LEU n 1 120 ARG n 1 121 ASP n 1 122 ASP n 1 123 LYS n 1 124 ASP n 1 125 THR n 1 126 ILE n 1 127 GLU n 1 128 LYS n 1 129 LEU n 1 130 LYS n 1 131 GLU n 1 132 LYS n 1 133 LYS n 1 134 LEU n 1 135 THR n 1 136 PRO n 1 137 ILE n 1 138 THR n 1 139 TYR n 1 140 PRO n 1 141 GLN n 1 142 GLY n 1 143 LEU n 1 144 ALA n 1 145 MET n 1 146 ALA n 1 147 LYS n 1 148 GLU n 1 149 ILE n 1 150 GLY n 1 151 ALA n 1 152 VAL n 1 153 LYS n 1 154 TYR n 1 155 LEU n 1 156 GLU n 1 157 CYS n 1 158 SER n 1 159 ALA n 1 160 LEU n 1 161 THR n 1 162 GLN n 1 163 ARG n 1 164 GLY n 1 165 LEU n 1 166 LYS n 1 167 THR n 1 168 VAL n 1 169 PHE n 1 170 ASP n 1 171 GLU n 1 172 ALA n 1 173 ILE n 1 174 ARG n 1 175 ALA n 1 176 VAL n 1 177 LEU n 2 1 ARG n 2 2 LYS n 2 3 LYS n 2 4 GLU n 2 5 PHE n 2 6 ILE n 2 7 MET n 2 8 ALA n 2 9 GLU n 2 10 LEU n 2 11 LEU n 2 12 GLN n 2 13 THR n 2 14 GLU n 2 15 LYS n 2 16 ALA n 2 17 TYR n 2 18 VAL n 2 19 ARG n 2 20 ASP n 2 21 LEU n 2 22 HIS n 2 23 GLU n 2 24 CYS n 2 25 LEU n 2 26 GLU n 2 27 THR n 2 28 TYR n 2 29 LEU n 2 30 TRP n 2 31 GLU n 2 32 MET n 2 33 THR n 2 34 SER n 2 35 GLY n 2 36 VAL n 2 37 GLU n 2 38 GLU n 2 39 ILE n 2 40 PRO n 2 41 PRO n 2 42 GLY n 2 43 ILE n 2 44 LEU n 2 45 ASN n 2 46 LYS n 2 47 GLU n 2 48 HIS n 2 49 ILE n 2 50 ILE n 2 51 PHE n 2 52 GLY n 2 53 ASN n 2 54 ILE n 2 55 GLN n 2 56 GLU n 2 57 ILE n 2 58 TYR n 2 59 ASP n 2 60 PHE n 2 61 HIS n 2 62 ASN n 2 63 ASN n 2 64 ILE n 2 65 PHE n 2 66 LEU n 2 67 LYS n 2 68 GLU n 2 69 LEU n 2 70 GLU n 2 71 LYS n 2 72 TYR n 2 73 GLU n 2 74 GLN n 2 75 LEU n 2 76 PRO n 2 77 GLU n 2 78 ASP n 2 79 VAL n 2 80 GLY n 2 81 HIS n 2 82 CYS n 2 83 PHE n 2 84 VAL n 2 85 THR n 2 86 TRP n 2 87 ALA n 2 88 ASP n 2 89 LYS n 2 90 PHE n 2 91 GLN n 2 92 MET n 2 93 TYR n 2 94 VAL n 2 95 THR n 2 96 TYR n 2 97 CYS n 2 98 LYS n 2 99 ASN n 2 100 LYS n 2 101 PRO n 2 102 ASP n 2 103 SER n 2 104 ASN n 2 105 GLN n 2 106 LEU n 2 107 ILE n 2 108 LEU n 2 109 GLU n 2 110 HIS n 2 111 ALA n 2 112 GLY n 2 113 THR n 2 114 PHE n 2 115 PHE n 2 116 ASP n 2 117 GLU n 2 118 ILE n 2 119 GLN n 2 120 GLN n 2 121 ARG n 2 122 HIS n 2 123 GLY n 2 124 LEU n 2 125 ALA n 2 126 ASN n 2 127 SER n 2 128 ILE n 2 129 SER n 2 130 SER n 2 131 TYR n 2 132 LEU n 2 133 ILE n 2 134 LYS n 2 135 PRO n 2 136 VAL n 2 137 GLN n 2 138 ARG n 2 139 VAL n 2 140 THR n 2 141 LYS n 2 142 TYR n 2 143 GLN n 2 144 LEU n 2 145 LEU n 2 146 LEU n 2 147 LYS n 2 148 GLU n 2 149 LEU n 2 150 LEU n 2 151 THR n 2 152 CYS n 2 153 CYS n 2 154 GLU n 2 155 GLU n 2 156 GLY n 2 157 LYS n 2 158 GLY n 2 159 GLU n 2 160 LEU n 2 161 LYS n 2 162 ASP n 2 163 GLY n 2 164 LEU n 2 165 GLU n 2 166 VAL n 2 167 MET n 2 168 LEU n 2 169 SER n 2 170 VAL n 2 171 PRO n 2 172 LYS n 2 173 LYS n 2 174 ALA n 2 175 ASN n 2 176 ASP n 2 177 ALA n 2 178 MET n 2 179 HIS n 2 180 VAL n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample 'Biological sequence' 1 177 Human ? 'RAC1, TC25, MIG5' ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample 'Biological sequence' 1 180 Rat ? 'Kalrn, Duo, Hapip' ? ? ? ? ? ? 'Rattus norvegicus' 10116 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 EDO non-polymer . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2' 62.068 GDP 'RNA linking' n "GUANOSINE-5'-DIPHOSPHATE" ? 'C10 H15 N5 O11 P2' 443.201 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 MET 1 1 1 MET MET A . n A 1 2 GLN 2 2 2 GLN GLN A . n A 1 3 ALA 3 3 3 ALA ALA A . n A 1 4 ILE 4 4 4 ILE ILE A . n A 1 5 LYS 5 5 5 LYS LYS A . n A 1 6 CYS 6 6 6 CYS CYS A . n A 1 7 VAL 7 7 7 VAL VAL A . n A 1 8 VAL 8 8 8 VAL VAL A . n A 1 9 VAL 9 9 9 VAL VAL A . n A 1 10 GLY 10 10 10 GLY GLY A . n A 1 11 ASP 11 11 11 ASP ASP A . n A 1 12 GLY 12 12 12 GLY GLY A . n A 1 13 ALA 13 13 13 ALA ALA A . n A 1 14 VAL 14 14 14 VAL VAL A . n A 1 15 GLY 15 15 15 GLY GLY A . n A 1 16 LYS 16 16 16 LYS LYS A . n A 1 17 THR 17 17 17 THR THR A . n A 1 18 CYS 18 18 18 CYS CYS A . n A 1 19 LEU 19 19 19 LEU LEU A . n A 1 20 LEU 20 20 20 LEU LEU A . n A 1 21 ILE 21 21 21 ILE ILE A . n A 1 22 SER 22 22 22 SER SER A . n A 1 23 TYR 23 23 23 TYR TYR A . n A 1 24 THR 24 24 24 THR THR A . n A 1 25 THR 25 25 25 THR THR A . n A 1 26 ASN 26 26 26 ASN ASN A . n A 1 27 ALA 27 27 27 ALA ALA A . n A 1 28 PHE 28 28 28 PHE PHE A . n A 1 29 PRO 29 29 29 PRO PRO A . n A 1 30 GLY 30 30 30 GLY GLY A . n A 1 31 GLU 31 31 31 GLU GLU A . n A 1 32 TYR 32 32 32 TYR TYR A . n A 1 33 ILE 33 33 33 ILE ILE A . n A 1 34 PRO 34 34 34 PRO PRO A . n A 1 35 THR 35 35 35 THR THR A . n A 1 36 VAL 36 36 36 VAL VAL A . n A 1 37 PHE 37 37 37 PHE PHE A . n A 1 38 ASP 38 38 38 ASP ASP A . n A 1 39 ASN 39 39 39 ASN ASN A . n A 1 40 TYR 40 40 40 TYR TYR A . n A 1 41 SER 41 41 41 SER SER A . n A 1 42 ALA 42 42 42 ALA ALA A . n A 1 43 ASN 43 43 43 ASN ASN A . n A 1 44 VAL 44 44 44 VAL VAL A . n A 1 45 MET 45 45 45 MET MET A . n A 1 46 VAL 46 46 46 VAL VAL A . n A 1 47 ASP 47 47 47 ASP ASP A . n A 1 48 GLY 48 48 48 GLY GLY A . n A 1 49 LYS 49 49 49 LYS LYS A . n A 1 50 PRO 50 50 50 PRO PRO A . n A 1 51 VAL 51 51 51 VAL VAL A . n A 1 52 ASN 52 52 52 ASN ASN A . n A 1 53 LEU 53 53 53 LEU LEU A . n A 1 54 GLY 54 54 54 GLY GLY A . n A 1 55 LEU 55 55 55 LEU LEU A . n A 1 56 TRP 56 56 56 TRP TRP A . n A 1 57 ASP 57 57 57 ASP ASP A . n A 1 58 THR 58 58 58 THR THR A . n A 1 59 ALA 59 59 59 ALA ALA A . n A 1 60 GLY 60 60 60 GLY GLY A . n A 1 61 GLN 61 61 61 GLN GLN A . n A 1 62 GLU 62 62 62 GLU GLU A . n A 1 63 ASP 63 63 63 ASP ASP A . n A 1 64 TYR 64 64 64 TYR TYR A . n A 1 65 ASP 65 65 65 ASP ASP A . n A 1 66 ARG 66 66 66 ARG ARG A . n A 1 67 LEU 67 67 67 LEU LEU A . n A 1 68 ARG 68 68 68 ARG ARG A . n A 1 69 PRO 69 69 69 PRO PRO A . n A 1 70 LEU 70 70 70 LEU LEU A . n A 1 71 SER 71 71 71 SER SER A . n A 1 72 TYR 72 72 72 TYR TYR A . n A 1 73 PRO 73 73 73 PRO PRO A . n A 1 74 GLN 74 74 74 GLN GLN A . n A 1 75 THR 75 75 75 THR THR A . n A 1 76 ASP 76 76 76 ASP ASP A . n A 1 77 VAL 77 77 77 VAL VAL A . n A 1 78 PHE 78 78 78 PHE PHE A . n A 1 79 LEU 79 79 79 LEU LEU A . n A 1 80 ILE 80 80 80 ILE ILE A . n A 1 81 CYS 81 81 81 CYS CYS A . n A 1 82 PHE 82 82 82 PHE PHE A . n A 1 83 SER 83 83 83 SER SER A . n A 1 84 LEU 84 84 84 LEU LEU A . n A 1 85 VAL 85 85 85 VAL VAL A . n A 1 86 SER 86 86 86 SER SER A . n A 1 87 PRO 87 87 87 PRO PRO A . n A 1 88 ALA 88 88 88 ALA ALA A . n A 1 89 SER 89 89 89 SER SER A . n A 1 90 PHE 90 90 90 PHE PHE A . n A 1 91 GLU 91 91 91 GLU GLU A . n A 1 92 ASN 92 92 92 ASN ASN A . n A 1 93 VAL 93 93 93 VAL VAL A . n A 1 94 ARG 94 94 94 ARG ARG A . n A 1 95 ALA 95 95 95 ALA ALA A . n A 1 96 LYS 96 96 96 LYS LYS A . n A 1 97 TRP 97 97 97 TRP TRP A . n A 1 98 TYR 98 98 98 TYR TYR A . n A 1 99 PRO 99 99 99 PRO PRO A . n A 1 100 GLU 100 100 100 GLU GLU A . n A 1 101 VAL 101 101 101 VAL VAL A . n A 1 102 ARG 102 102 102 ARG ARG A . n A 1 103 HIS 103 103 103 HIS HIS A . n A 1 104 HIS 104 104 104 HIS HIS A . n A 1 105 CYS 105 105 105 CYS CYS A . n A 1 106 PRO 106 106 106 PRO PRO A . n A 1 107 ASN 107 107 107 ASN ASN A . n A 1 108 THR 108 108 108 THR THR A . n A 1 109 PRO 109 109 109 PRO PRO A . n A 1 110 ILE 110 110 110 ILE ILE A . n A 1 111 ILE 111 111 111 ILE ILE A . n A 1 112 LEU 112 112 112 LEU LEU A . n A 1 113 VAL 113 113 113 VAL VAL A . n A 1 114 GLY 114 114 114 GLY GLY A . n A 1 115 THR 115 115 115 THR THR A . n A 1 116 LYS 116 116 116 LYS LYS A . n A 1 117 LEU 117 117 117 LEU LEU A . n A 1 118 ASP 118 118 118 ASP ASP A . n A 1 119 LEU 119 119 119 LEU LEU A . n A 1 120 ARG 120 120 120 ARG ARG A . n A 1 121 ASP 121 121 121 ASP ASP A . n A 1 122 ASP 122 122 122 ASP ASP A . n A 1 123 LYS 123 123 123 LYS LYS A . n A 1 124 ASP 124 124 124 ASP ASP A . n A 1 125 THR 125 125 125 THR THR A . n A 1 126 ILE 126 126 126 ILE ILE A . n A 1 127 GLU 127 127 127 GLU GLU A . n A 1 128 LYS 128 128 128 LYS LYS A . n A 1 129 LEU 129 129 129 LEU LEU A . n A 1 130 LYS 130 130 130 LYS LYS A . n A 1 131 GLU 131 131 131 GLU GLU A . n A 1 132 LYS 132 132 132 LYS LYS A . n A 1 133 LYS 133 133 133 LYS LYS A . n A 1 134 LEU 134 134 134 LEU LEU A . n A 1 135 THR 135 135 135 THR THR A . n A 1 136 PRO 136 136 136 PRO PRO A . n A 1 137 ILE 137 137 137 ILE ILE A . n A 1 138 THR 138 138 138 THR THR A . n A 1 139 TYR 139 139 139 TYR TYR A . n A 1 140 PRO 140 140 140 PRO PRO A . n A 1 141 GLN 141 141 141 GLN GLN A . n A 1 142 GLY 142 142 142 GLY GLY A . n A 1 143 LEU 143 143 143 LEU LEU A . n A 1 144 ALA 144 144 144 ALA ALA A . n A 1 145 MET 145 145 145 MET MET A . n A 1 146 ALA 146 146 146 ALA ALA A . n A 1 147 LYS 147 147 147 LYS LYS A . n A 1 148 GLU 148 148 148 GLU GLU A . n A 1 149 ILE 149 149 149 ILE ILE A . n A 1 150 GLY 150 150 150 GLY GLY A . n A 1 151 ALA 151 151 151 ALA ALA A . n A 1 152 VAL 152 152 152 VAL VAL A . n A 1 153 LYS 153 153 153 LYS LYS A . n A 1 154 TYR 154 154 154 TYR TYR A . n A 1 155 LEU 155 155 155 LEU LEU A . n A 1 156 GLU 156 156 156 GLU GLU A . n A 1 157 CYS 157 157 157 CYS CYS A . n A 1 158 SER 158 158 158 SER SER A . n A 1 159 ALA 159 159 159 ALA ALA A . n A 1 160 LEU 160 160 160 LEU LEU A . n A 1 161 THR 161 161 161 THR THR A . n A 1 162 GLN 162 162 162 GLN GLN A . n A 1 163 ARG 163 163 163 ARG ARG A . n A 1 164 GLY 164 164 164 GLY GLY A . n A 1 165 LEU 165 165 165 LEU LEU A . n A 1 166 LYS 166 166 166 LYS LYS A . n A 1 167 THR 167 167 167 THR THR A . n A 1 168 VAL 168 168 168 VAL VAL A . n A 1 169 PHE 169 169 169 PHE PHE A . n A 1 170 ASP 170 170 170 ASP ASP A . n A 1 171 GLU 171 171 171 GLU GLU A . n A 1 172 ALA 172 172 172 ALA ALA A . n A 1 173 ILE 173 173 173 ILE ILE A . n A 1 174 ARG 174 174 174 ARG ARG A . n A 1 175 ALA 175 175 175 ALA ALA A . n A 1 176 VAL 176 176 176 VAL VAL A . n A 1 177 LEU 177 177 177 LEU LEU A . n B 2 1 ARG 1 1232 1232 ARG ARG B . n B 2 2 LYS 2 1233 1233 LYS LYS B . n B 2 3 LYS 3 1234 1234 LYS LYS B . n B 2 4 GLU 4 1235 1235 GLU GLU B . n B 2 5 PHE 5 1236 1236 PHE PHE B . n B 2 6 ILE 6 1237 1237 ILE ILE B . n B 2 7 MET 7 1238 1238 MET MET B . n B 2 8 ALA 8 1239 1239 ALA ALA B . n B 2 9 GLU 9 1240 1240 GLU GLU B . n B 2 10 LEU 10 1241 1241 LEU LEU B . n B 2 11 LEU 11 1242 1242 LEU LEU B . n B 2 12 GLN 12 1243 1243 GLN GLN B . n B 2 13 THR 13 1244 1244 THR THR B . n B 2 14 GLU 14 1245 1245 GLU GLU B . n B 2 15 LYS 15 1246 1246 LYS LYS B . n B 2 16 ALA 16 1247 1247 ALA ALA B . n B 2 17 TYR 17 1248 1248 TYR TYR B . n B 2 18 VAL 18 1249 1249 VAL VAL B . n B 2 19 ARG 19 1250 1250 ARG ARG B . n B 2 20 ASP 20 1251 1251 ASP ASP B . n B 2 21 LEU 21 1252 1252 LEU LEU B . n B 2 22 HIS 22 1253 1253 HIS HIS B . n B 2 23 GLU 23 1254 1254 GLU GLU B . n B 2 24 CYS 24 1255 1255 CYS CYS B . n B 2 25 LEU 25 1256 1256 LEU LEU B . n B 2 26 GLU 26 1257 1257 GLU GLU B . n B 2 27 THR 27 1258 1258 THR THR B . n B 2 28 TYR 28 1259 1259 TYR TYR B . n B 2 29 LEU 29 1260 1260 LEU LEU B . n B 2 30 TRP 30 1261 1261 TRP TRP B . n B 2 31 GLU 31 1262 1262 GLU GLU B . n B 2 32 MET 32 1263 1263 MET MET B . n B 2 33 THR 33 1264 1264 THR THR B . n B 2 34 SER 34 1265 1265 SER SER B . n B 2 35 GLY 35 1266 1266 GLY GLY B . n B 2 36 VAL 36 1267 1267 VAL VAL B . n B 2 37 GLU 37 1268 1268 GLU GLU B . n B 2 38 GLU 38 1269 1269 GLU GLU B . n B 2 39 ILE 39 1270 1270 ILE ILE B . n B 2 40 PRO 40 1271 1271 PRO PRO B . n B 2 41 PRO 41 1272 1272 PRO PRO B . n B 2 42 GLY 42 1273 1273 GLY GLY B . n B 2 43 ILE 43 1274 1274 ILE ILE B . n B 2 44 LEU 44 1275 1275 LEU LEU B . n B 2 45 ASN 45 1276 1276 ASN ASN B . n B 2 46 LYS 46 1277 1277 LYS LYS B . n B 2 47 GLU 47 1278 1278 GLU GLU B . n B 2 48 HIS 48 1279 1279 HIS HIS B . n B 2 49 ILE 49 1280 1280 ILE ILE B . n B 2 50 ILE 50 1281 1281 ILE ILE B . n B 2 51 PHE 51 1282 1282 PHE PHE B . n B 2 52 GLY 52 1283 1283 GLY GLY B . n B 2 53 ASN 53 1284 1284 ASN ASN B . n B 2 54 ILE 54 1285 1285 ILE ILE B . n B 2 55 GLN 55 1286 1286 GLN GLN B . n B 2 56 GLU 56 1287 1287 GLU GLU B . n B 2 57 ILE 57 1288 1288 ILE ILE B . n B 2 58 TYR 58 1289 1289 TYR TYR B . n B 2 59 ASP 59 1290 1290 ASP ASP B . n B 2 60 PHE 60 1291 1291 PHE PHE B . n B 2 61 HIS 61 1292 1292 HIS HIS B . n B 2 62 ASN 62 1293 1293 ASN ASN B . n B 2 63 ASN 63 1294 1294 ASN ASN B . n B 2 64 ILE 64 1295 1295 ILE ILE B . n B 2 65 PHE 65 1296 1296 PHE PHE B . n B 2 66 LEU 66 1297 1297 LEU LEU B . n B 2 67 LYS 67 1298 1298 LYS LYS B . n B 2 68 GLU 68 1299 1299 GLU GLU B . n B 2 69 LEU 69 1300 1300 LEU LEU B . n B 2 70 GLU 70 1301 1301 GLU GLU B . n B 2 71 LYS 71 1302 1302 LYS LYS B . n B 2 72 TYR 72 1303 1303 TYR TYR B . n B 2 73 GLU 73 1304 1304 GLU GLU B . n B 2 74 GLN 74 1305 1305 GLN GLN B . n B 2 75 LEU 75 1306 1306 LEU LEU B . n B 2 76 PRO 76 1307 1307 PRO PRO B . n B 2 77 GLU 77 1308 1308 GLU GLU B . n B 2 78 ASP 78 1309 1309 ASP ASP B . n B 2 79 VAL 79 1310 1310 VAL VAL B . n B 2 80 GLY 80 1311 1311 GLY GLY B . n B 2 81 HIS 81 1312 1312 HIS HIS B . n B 2 82 CYS 82 1313 1313 CYS CYS B . n B 2 83 PHE 83 1314 1314 PHE PHE B . n B 2 84 VAL 84 1315 1315 VAL VAL B . n B 2 85 THR 85 1316 1316 THR THR B . n B 2 86 TRP 86 1317 1317 TRP TRP B . n B 2 87 ALA 87 1318 1318 ALA ALA B . n B 2 88 ASP 88 1319 1319 ASP ASP B . n B 2 89 LYS 89 1320 1320 LYS LYS B . n B 2 90 PHE 90 1321 1321 PHE PHE B . n B 2 91 GLN 91 1322 1322 GLN GLN B . n B 2 92 MET 92 1323 1323 MET MET B . n B 2 93 TYR 93 1324 1324 TYR TYR B . n B 2 94 VAL 94 1325 1325 VAL VAL B . n B 2 95 THR 95 1326 1326 THR THR B . n B 2 96 TYR 96 1327 1327 TYR TYR B . n B 2 97 CYS 97 1328 1328 CYS CYS B . n B 2 98 LYS 98 1329 1329 LYS LYS B . n B 2 99 ASN 99 1330 1330 ASN ASN B . n B 2 100 LYS 100 1331 1331 LYS LYS B . n B 2 101 PRO 101 1332 1332 PRO PRO B . n B 2 102 ASP 102 1333 1333 ASP ASP B . n B 2 103 SER 103 1334 1334 SER SER B . n B 2 104 ASN 104 1335 1335 ASN ASN B . n B 2 105 GLN 105 1336 1336 GLN GLN B . n B 2 106 LEU 106 1337 1337 LEU LEU B . n B 2 107 ILE 107 1338 1338 ILE ILE B . n B 2 108 LEU 108 1339 1339 LEU LEU B . n B 2 109 GLU 109 1340 1340 GLU GLU B . n B 2 110 HIS 110 1341 1341 HIS HIS B . n B 2 111 ALA 111 1342 1342 ALA ALA B . n B 2 112 GLY 112 1343 1343 GLY GLY B . n B 2 113 THR 113 1344 1344 THR THR B . n B 2 114 PHE 114 1345 1345 PHE PHE B . n B 2 115 PHE 115 1346 1346 PHE PHE B . n B 2 116 ASP 116 1347 1347 ASP ASP B . n B 2 117 GLU 117 1348 1348 GLU GLU B . n B 2 118 ILE 118 1349 1349 ILE ILE B . n B 2 119 GLN 119 1350 1350 GLN GLN B . n B 2 120 GLN 120 1351 1351 GLN GLN B . n B 2 121 ARG 121 1352 1352 ARG ARG B . n B 2 122 HIS 122 1353 1353 HIS HIS B . n B 2 123 GLY 123 1354 1354 GLY GLY B . n B 2 124 LEU 124 1355 1355 LEU LEU B . n B 2 125 ALA 125 1356 1356 ALA ALA B . n B 2 126 ASN 126 1357 1357 ASN ASN B . n B 2 127 SER 127 1358 1358 SER SER B . n B 2 128 ILE 128 1359 1359 ILE ILE B . n B 2 129 SER 129 1360 1360 SER SER B . n B 2 130 SER 130 1361 1361 SER SER B . n B 2 131 TYR 131 1362 1362 TYR TYR B . n B 2 132 LEU 132 1363 1363 LEU LEU B . n B 2 133 ILE 133 1364 1364 ILE ILE B . n B 2 134 LYS 134 1365 1365 LYS LYS B . n B 2 135 PRO 135 1366 1366 PRO PRO B . n B 2 136 VAL 136 1367 1367 VAL VAL B . n B 2 137 GLN 137 1368 1368 GLN GLN B . n B 2 138 ARG 138 1369 1369 ARG ARG B . n B 2 139 VAL 139 1370 1370 VAL VAL B . n B 2 140 THR 140 1371 1371 THR THR B . n B 2 141 LYS 141 1372 1372 LYS LYS B . n B 2 142 TYR 142 1373 1373 TYR TYR B . n B 2 143 GLN 143 1374 1374 GLN GLN B . n B 2 144 LEU 144 1375 1375 LEU LEU B . n B 2 145 LEU 145 1376 1376 LEU LEU B . n B 2 146 LEU 146 1377 1377 LEU LEU B . n B 2 147 LYS 147 1378 1378 LYS LYS B . n B 2 148 GLU 148 1379 1379 GLU GLU B . n B 2 149 LEU 149 1380 1380 LEU LEU B . n B 2 150 LEU 150 1381 1381 LEU LEU B . n B 2 151 THR 151 1382 1382 THR THR B . n B 2 152 CYS 152 1383 1383 CYS CYS B . n B 2 153 CYS 153 1384 1384 CYS CYS B . n B 2 154 GLU 154 1385 1385 GLU GLU B . n B 2 155 GLU 155 1386 1386 GLU GLU B . n B 2 156 GLY 156 1387 1387 GLY GLY B . n B 2 157 LYS 157 1388 1388 LYS LYS B . n B 2 158 GLY 158 1389 1389 GLY GLY B . n B 2 159 GLU 159 1390 1390 GLU GLU B . n B 2 160 LEU 160 1391 1391 LEU LEU B . n B 2 161 LYS 161 1392 1392 LYS LYS B . n B 2 162 ASP 162 1393 1393 ASP ASP B . n B 2 163 GLY 163 1394 1394 GLY GLY B . n B 2 164 LEU 164 1395 1395 LEU LEU B . n B 2 165 GLU 165 1396 1396 GLU GLU B . n B 2 166 VAL 166 1397 1397 VAL VAL B . n B 2 167 MET 167 1398 1398 MET MET B . n B 2 168 LEU 168 1399 1399 LEU LEU B . n B 2 169 SER 169 1400 1400 SER SER B . n B 2 170 VAL 170 1401 1401 VAL VAL B . n B 2 171 PRO 171 1402 1402 PRO PRO B . n B 2 172 LYS 172 1403 1403 LYS LYS B . n B 2 173 LYS 173 1404 1404 LYS LYS B . n B 2 174 ALA 174 1405 1405 ALA ALA B . n B 2 175 ASN 175 1406 1406 ASN ASN B . n B 2 176 ASP 176 1407 1407 ASP ASP B . n B 2 177 ALA 177 1408 1408 ALA ALA B . n B 2 178 MET 178 1409 1409 MET MET B . n B 2 179 HIS 179 1410 1410 HIS HIS B . n B 2 180 VAL 180 1411 ? ? ? B . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 3 EDO 1 201 1 EDO EDO A . D 3 EDO 1 202 3 EDO EDO A . E 4 GDP 1 203 1 GDP GDP A . F 3 EDO 1 1501 2 EDO EDO B . G 3 EDO 1 1502 4 EDO EDO B . H 3 EDO 1 1503 5 EDO EDO B . I 3 EDO 1 1504 6 EDO EDO B . J 5 HOH 1 301 108 HOH HOH A . J 5 HOH 2 302 242 HOH HOH A . J 5 HOH 3 303 273 HOH HOH A . J 5 HOH 4 304 139 HOH HOH A . J 5 HOH 5 305 292 HOH HOH A . J 5 HOH 6 306 210 HOH HOH A . J 5 HOH 7 307 124 HOH HOH A . J 5 HOH 8 308 297 HOH HOH A . J 5 HOH 9 309 195 HOH HOH A . J 5 HOH 10 310 143 HOH HOH A . J 5 HOH 11 311 260 HOH HOH A . J 5 HOH 12 312 56 HOH HOH A . J 5 HOH 13 313 129 HOH HOH A . J 5 HOH 14 314 194 HOH HOH A . J 5 HOH 15 315 27 HOH HOH A . J 5 HOH 16 316 42 HOH HOH A . J 5 HOH 17 317 162 HOH HOH A . J 5 HOH 18 318 102 HOH HOH A . J 5 HOH 19 319 64 HOH HOH A . J 5 HOH 20 320 241 HOH HOH A . J 5 HOH 21 321 18 HOH HOH A . J 5 HOH 22 322 161 HOH HOH A . J 5 HOH 23 323 25 HOH HOH A . J 5 HOH 24 324 121 HOH HOH A . J 5 HOH 25 325 304 HOH HOH A . J 5 HOH 26 326 78 HOH HOH A . J 5 HOH 27 327 7 HOH HOH A . J 5 HOH 28 328 48 HOH HOH A . J 5 HOH 29 329 61 HOH HOH A . J 5 HOH 30 330 205 HOH HOH A . J 5 HOH 31 331 75 HOH HOH A . J 5 HOH 32 332 73 HOH HOH A . J 5 HOH 33 333 72 HOH HOH A . J 5 HOH 34 334 220 HOH HOH A . J 5 HOH 35 335 200 HOH HOH A . J 5 HOH 36 336 113 HOH HOH A . J 5 HOH 37 337 99 HOH HOH A . J 5 HOH 38 338 65 HOH HOH A . J 5 HOH 39 339 89 HOH HOH A . J 5 HOH 40 340 163 HOH HOH A . J 5 HOH 41 341 32 HOH HOH A . J 5 HOH 42 342 185 HOH HOH A . J 5 HOH 43 343 122 HOH HOH A . J 5 HOH 44 344 26 HOH HOH A . J 5 HOH 45 345 46 HOH HOH A . J 5 HOH 46 346 97 HOH HOH A . J 5 HOH 47 347 86 HOH HOH A . J 5 HOH 48 348 16 HOH HOH A . J 5 HOH 49 349 5 HOH HOH A . J 5 HOH 50 350 98 HOH HOH A . J 5 HOH 51 351 1 HOH HOH A . J 5 HOH 52 352 199 HOH HOH A . J 5 HOH 53 353 174 HOH HOH A . J 5 HOH 54 354 83 HOH HOH A . J 5 HOH 55 355 151 HOH HOH A . J 5 HOH 56 356 6 HOH HOH A . J 5 HOH 57 357 144 HOH HOH A . J 5 HOH 58 358 87 HOH HOH A . J 5 HOH 59 359 160 HOH HOH A . J 5 HOH 60 360 127 HOH HOH A . J 5 HOH 61 361 9 HOH HOH A . J 5 HOH 62 362 142 HOH HOH A . J 5 HOH 63 363 30 HOH HOH A . J 5 HOH 64 364 49 HOH HOH A . J 5 HOH 65 365 240 HOH HOH A . J 5 HOH 66 366 54 HOH HOH A . J 5 HOH 67 367 96 HOH HOH A . J 5 HOH 68 368 112 HOH HOH A . J 5 HOH 69 369 180 HOH HOH A . J 5 HOH 70 370 191 HOH HOH A . J 5 HOH 71 371 123 HOH HOH A . J 5 HOH 72 372 51 HOH HOH A . J 5 HOH 73 373 59 HOH HOH A . J 5 HOH 74 374 34 HOH HOH A . J 5 HOH 75 375 15 HOH HOH A . J 5 HOH 76 376 52 HOH HOH A . J 5 HOH 77 377 152 HOH HOH A . J 5 HOH 78 378 267 HOH HOH A . J 5 HOH 79 379 126 HOH HOH A . J 5 HOH 80 380 3 HOH HOH A . J 5 HOH 81 381 153 HOH HOH A . J 5 HOH 82 382 201 HOH HOH A . J 5 HOH 83 383 245 HOH HOH A . J 5 HOH 84 384 118 HOH HOH A . J 5 HOH 85 385 256 HOH HOH A . J 5 HOH 86 386 21 HOH HOH A . J 5 HOH 87 387 296 HOH HOH A . J 5 HOH 88 388 158 HOH HOH A . J 5 HOH 89 389 106 HOH HOH A . J 5 HOH 90 390 146 HOH HOH A . J 5 HOH 91 391 84 HOH HOH A . J 5 HOH 92 392 11 HOH HOH A . J 5 HOH 93 393 203 HOH HOH A . J 5 HOH 94 394 62 HOH HOH A . J 5 HOH 95 395 77 HOH HOH A . J 5 HOH 96 396 57 HOH HOH A . J 5 HOH 97 397 284 HOH HOH A . J 5 HOH 98 398 244 HOH HOH A . J 5 HOH 99 399 281 HOH HOH A . J 5 HOH 100 400 258 HOH HOH A . J 5 HOH 101 401 140 HOH HOH A . J 5 HOH 102 402 262 HOH HOH A . J 5 HOH 103 403 302 HOH HOH A . J 5 HOH 104 404 159 HOH HOH A . J 5 HOH 105 405 149 HOH HOH A . J 5 HOH 106 406 80 HOH HOH A . J 5 HOH 107 407 218 HOH HOH A . J 5 HOH 108 408 145 HOH HOH A . J 5 HOH 109 409 81 HOH HOH A . J 5 HOH 110 410 282 HOH HOH A . J 5 HOH 111 411 270 HOH HOH A . J 5 HOH 112 412 286 HOH HOH A . J 5 HOH 113 413 298 HOH HOH A . J 5 HOH 114 414 183 HOH HOH A . J 5 HOH 115 415 300 HOH HOH A . J 5 HOH 116 416 271 HOH HOH A . J 5 HOH 117 417 261 HOH HOH A . J 5 HOH 118 418 216 HOH HOH A . J 5 HOH 119 419 283 HOH HOH A . J 5 HOH 120 420 202 HOH HOH A . J 5 HOH 121 421 303 HOH HOH A . J 5 HOH 122 422 212 HOH HOH A . J 5 HOH 123 423 120 HOH HOH A . J 5 HOH 124 424 277 HOH HOH A . J 5 HOH 125 425 197 HOH HOH A . J 5 HOH 126 426 213 HOH HOH A . J 5 HOH 127 427 133 HOH HOH A . J 5 HOH 128 428 176 HOH HOH A . J 5 HOH 129 429 231 HOH HOH A . J 5 HOH 130 430 243 HOH HOH A . J 5 HOH 131 431 248 HOH HOH A . J 5 HOH 132 432 301 HOH HOH A . J 5 HOH 133 433 171 HOH HOH A . J 5 HOH 134 434 279 HOH HOH A . J 5 HOH 135 435 184 HOH HOH A . J 5 HOH 136 436 237 HOH HOH A . J 5 HOH 137 437 55 HOH HOH A . J 5 HOH 138 438 178 HOH HOH A . J 5 HOH 139 439 92 HOH HOH A . J 5 HOH 140 440 290 HOH HOH A . J 5 HOH 141 441 207 HOH HOH A . J 5 HOH 142 442 60 HOH HOH A . J 5 HOH 143 443 70 HOH HOH A . J 5 HOH 144 444 257 HOH HOH A . J 5 HOH 145 445 239 HOH HOH A . J 5 HOH 146 446 156 HOH HOH A . J 5 HOH 147 447 107 HOH HOH A . J 5 HOH 148 448 130 HOH HOH A . J 5 HOH 149 449 68 HOH HOH A . K 5 HOH 1 1601 294 HOH HOH B . K 5 HOH 2 1602 255 HOH HOH B . K 5 HOH 3 1603 117 HOH HOH B . K 5 HOH 4 1604 299 HOH HOH B . K 5 HOH 5 1605 128 HOH HOH B . K 5 HOH 6 1606 165 HOH HOH B . K 5 HOH 7 1607 232 HOH HOH B . K 5 HOH 8 1608 219 HOH HOH B . K 5 HOH 9 1609 37 HOH HOH B . K 5 HOH 10 1610 157 HOH HOH B . K 5 HOH 11 1611 181 HOH HOH B . K 5 HOH 12 1612 67 HOH HOH B . K 5 HOH 13 1613 79 HOH HOH B . K 5 HOH 14 1614 295 HOH HOH B . K 5 HOH 15 1615 119 HOH HOH B . K 5 HOH 16 1616 110 HOH HOH B . K 5 HOH 17 1617 74 HOH HOH B . K 5 HOH 18 1618 173 HOH HOH B . K 5 HOH 19 1619 305 HOH HOH B . K 5 HOH 20 1620 2 HOH HOH B . K 5 HOH 21 1621 278 HOH HOH B . K 5 HOH 22 1622 131 HOH HOH B . K 5 HOH 23 1623 193 HOH HOH B . K 5 HOH 24 1624 125 HOH HOH B . K 5 HOH 25 1625 228 HOH HOH B . K 5 HOH 26 1626 136 HOH HOH B . K 5 HOH 27 1627 43 HOH HOH B . K 5 HOH 28 1628 109 HOH HOH B . K 5 HOH 29 1629 4 HOH HOH B . K 5 HOH 30 1630 76 HOH HOH B . K 5 HOH 31 1631 226 HOH HOH B . K 5 HOH 32 1632 50 HOH HOH B . K 5 HOH 33 1633 22 HOH HOH B . K 5 HOH 34 1634 288 HOH HOH B . K 5 HOH 35 1635 132 HOH HOH B . K 5 HOH 36 1636 63 HOH HOH B . K 5 HOH 37 1637 266 HOH HOH B . K 5 HOH 38 1638 172 HOH HOH B . K 5 HOH 39 1639 138 HOH HOH B . K 5 HOH 40 1640 190 HOH HOH B . K 5 HOH 41 1641 116 HOH HOH B . K 5 HOH 42 1642 104 HOH HOH B . K 5 HOH 43 1643 19 HOH HOH B . K 5 HOH 44 1644 91 HOH HOH B . K 5 HOH 45 1645 90 HOH HOH B . K 5 HOH 46 1646 135 HOH HOH B . K 5 HOH 47 1647 17 HOH HOH B . K 5 HOH 48 1648 10 HOH HOH B . K 5 HOH 49 1649 23 HOH HOH B . K 5 HOH 50 1650 40 HOH HOH B . K 5 HOH 51 1651 155 HOH HOH B . K 5 HOH 52 1652 150 HOH HOH B . K 5 HOH 53 1653 94 HOH HOH B . K 5 HOH 54 1654 58 HOH HOH B . K 5 HOH 55 1655 230 HOH HOH B . K 5 HOH 56 1656 275 HOH HOH B . K 5 HOH 57 1657 100 HOH HOH B . K 5 HOH 58 1658 12 HOH HOH B . K 5 HOH 59 1659 233 HOH HOH B . K 5 HOH 60 1660 182 HOH HOH B . K 5 HOH 61 1661 28 HOH HOH B . K 5 HOH 62 1662 214 HOH HOH B . K 5 HOH 63 1663 82 HOH HOH B . K 5 HOH 64 1664 249 HOH HOH B . K 5 HOH 65 1665 31 HOH HOH B . K 5 HOH 66 1666 192 HOH HOH B . K 5 HOH 67 1667 187 HOH HOH B . K 5 HOH 68 1668 196 HOH HOH B . K 5 HOH 69 1669 41 HOH HOH B . K 5 HOH 70 1670 170 HOH HOH B . K 5 HOH 71 1671 36 HOH HOH B . K 5 HOH 72 1672 259 HOH HOH B . K 5 HOH 73 1673 224 HOH HOH B . K 5 HOH 74 1674 105 HOH HOH B . K 5 HOH 75 1675 93 HOH HOH B . K 5 HOH 76 1676 20 HOH HOH B . K 5 HOH 77 1677 14 HOH HOH B . K 5 HOH 78 1678 53 HOH HOH B . K 5 HOH 79 1679 164 HOH HOH B . K 5 HOH 80 1680 38 HOH HOH B . K 5 HOH 81 1681 222 HOH HOH B . K 5 HOH 82 1682 29 HOH HOH B . K 5 HOH 83 1683 198 HOH HOH B . K 5 HOH 84 1684 103 HOH HOH B . K 5 HOH 85 1685 134 HOH HOH B . K 5 HOH 86 1686 45 HOH HOH B . K 5 HOH 87 1687 169 HOH HOH B . K 5 HOH 88 1688 33 HOH HOH B . K 5 HOH 89 1689 280 HOH HOH B . K 5 HOH 90 1690 217 HOH HOH B . K 5 HOH 91 1691 101 HOH HOH B . K 5 HOH 92 1692 115 HOH HOH B . K 5 HOH 93 1693 114 HOH HOH B . K 5 HOH 94 1694 95 HOH HOH B . K 5 HOH 95 1695 208 HOH HOH B . K 5 HOH 96 1696 253 HOH HOH B . K 5 HOH 97 1697 8 HOH HOH B . K 5 HOH 98 1698 209 HOH HOH B . K 5 HOH 99 1699 234 HOH HOH B . K 5 HOH 100 1700 66 HOH HOH B . K 5 HOH 101 1701 269 HOH HOH B . K 5 HOH 102 1702 221 HOH HOH B . K 5 HOH 103 1703 47 HOH HOH B . K 5 HOH 104 1704 289 HOH HOH B . K 5 HOH 105 1705 147 HOH HOH B . K 5 HOH 106 1706 211 HOH HOH B . K 5 HOH 107 1707 111 HOH HOH B . K 5 HOH 108 1708 39 HOH HOH B . K 5 HOH 109 1709 274 HOH HOH B . K 5 HOH 110 1710 227 HOH HOH B . K 5 HOH 111 1711 215 HOH HOH B . K 5 HOH 112 1712 179 HOH HOH B . K 5 HOH 113 1713 71 HOH HOH B . K 5 HOH 114 1714 148 HOH HOH B . K 5 HOH 115 1715 287 HOH HOH B . K 5 HOH 116 1716 188 HOH HOH B . K 5 HOH 117 1717 85 HOH HOH B . K 5 HOH 118 1718 254 HOH HOH B . K 5 HOH 119 1719 291 HOH HOH B . K 5 HOH 120 1720 265 HOH HOH B . K 5 HOH 121 1721 69 HOH HOH B . K 5 HOH 122 1722 235 HOH HOH B . K 5 HOH 123 1723 175 HOH HOH B . K 5 HOH 124 1724 264 HOH HOH B . K 5 HOH 125 1725 250 HOH HOH B . K 5 HOH 126 1726 263 HOH HOH B . K 5 HOH 127 1727 276 HOH HOH B . K 5 HOH 128 1728 44 HOH HOH B . K 5 HOH 129 1729 238 HOH HOH B . K 5 HOH 130 1730 186 HOH HOH B . K 5 HOH 131 1731 88 HOH HOH B . K 5 HOH 132 1732 293 HOH HOH B . K 5 HOH 133 1733 204 HOH HOH B . # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A GLN 2 ? CG ? A GLN 2 CG 2 1 Y 1 A GLN 2 ? CD ? A GLN 2 CD 3 1 Y 1 A GLN 2 ? OE1 ? A GLN 2 OE1 4 1 Y 1 A GLN 2 ? NE2 ? A GLN 2 NE2 5 1 Y 1 A MET 45 ? CG ? A MET 45 CG 6 1 Y 1 A MET 45 ? SD ? A MET 45 SD 7 1 Y 1 A MET 45 ? CE ? A MET 45 CE 8 1 Y 1 A LYS 49 ? CG ? A LYS 49 CG 9 1 Y 1 A LYS 49 ? CD ? A LYS 49 CD 10 1 Y 1 A LYS 49 ? CE ? A LYS 49 CE 11 1 Y 1 A LYS 49 ? NZ ? A LYS 49 NZ 12 1 Y 1 A LYS 123 ? CG ? A LYS 123 CG 13 1 Y 1 A LYS 123 ? CD ? A LYS 123 CD 14 1 Y 1 A LYS 123 ? CE ? A LYS 123 CE 15 1 Y 1 A LYS 123 ? NZ ? A LYS 123 NZ 16 1 Y 1 A LYS 128 ? CG ? A LYS 128 CG 17 1 Y 1 A LYS 128 ? CD ? A LYS 128 CD 18 1 Y 1 A LYS 128 ? CE ? A LYS 128 CE 19 1 Y 1 A LYS 128 ? NZ ? A LYS 128 NZ 20 1 Y 1 A LYS 132 ? CG ? A LYS 132 CG 21 1 Y 1 A LYS 132 ? CD ? A LYS 132 CD 22 1 Y 1 A LYS 132 ? CE ? A LYS 132 CE 23 1 Y 1 A LYS 132 ? NZ ? A LYS 132 NZ 24 1 Y 1 A LYS 166 ? CG ? A LYS 166 CG 25 1 Y 1 A LYS 166 ? CD ? A LYS 166 CD 26 1 Y 1 A LYS 166 ? CE ? A LYS 166 CE 27 1 Y 1 A LYS 166 ? NZ ? A LYS 166 NZ 28 1 Y 1 B PHE 1236 ? CG ? B PHE 5 CG 29 1 Y 1 B PHE 1236 ? CD1 ? B PHE 5 CD1 30 1 Y 1 B PHE 1236 ? CD2 ? B PHE 5 CD2 31 1 Y 1 B PHE 1236 ? CE1 ? B PHE 5 CE1 32 1 Y 1 B PHE 1236 ? CE2 ? B PHE 5 CE2 33 1 Y 1 B PHE 1236 ? CZ ? B PHE 5 CZ 34 1 Y 1 B GLU 1269 ? CG ? B GLU 38 CG 35 1 Y 1 B GLU 1269 ? CD ? B GLU 38 CD 36 1 Y 1 B GLU 1269 ? OE1 ? B GLU 38 OE1 37 1 Y 1 B GLU 1269 ? OE2 ? B GLU 38 OE2 38 1 Y 1 B GLU 1348 ? CG ? B GLU 117 CG 39 1 Y 1 B GLU 1348 ? CD ? B GLU 117 CD 40 1 Y 1 B GLU 1348 ? OE1 ? B GLU 117 OE1 41 1 Y 1 B GLU 1348 ? OE2 ? B GLU 117 OE2 42 1 Y 1 B GLN 1351 ? CG ? B GLN 120 CG 43 1 Y 1 B GLN 1351 ? CD ? B GLN 120 CD 44 1 Y 1 B GLN 1351 ? OE1 ? B GLN 120 OE1 45 1 Y 1 B GLN 1351 ? NE2 ? B GLN 120 NE2 46 1 Y 1 B GLU 1385 ? CG ? B GLU 154 CG 47 1 Y 1 B GLU 1385 ? CD ? B GLU 154 CD 48 1 Y 1 B GLU 1385 ? OE1 ? B GLU 154 OE1 49 1 Y 1 B GLU 1385 ? OE2 ? B GLU 154 OE2 50 1 Y 1 B GLU 1386 ? CG ? B GLU 155 CG 51 1 Y 1 B GLU 1386 ? CD ? B GLU 155 CD 52 1 Y 1 B GLU 1386 ? OE1 ? B GLU 155 OE1 53 1 Y 1 B GLU 1386 ? OE2 ? B GLU 155 OE2 54 1 Y 1 B LYS 1388 ? CG ? B LYS 157 CG 55 1 Y 1 B LYS 1388 ? CD ? B LYS 157 CD 56 1 Y 1 B LYS 1388 ? CE ? B LYS 157 CE 57 1 Y 1 B LYS 1388 ? NZ ? B LYS 157 NZ 58 1 Y 1 B LYS 1392 ? CG ? B LYS 161 CG 59 1 Y 1 B LYS 1392 ? CD ? B LYS 161 CD 60 1 Y 1 B LYS 1392 ? CE ? B LYS 161 CE 61 1 Y 1 B LYS 1392 ? NZ ? B LYS 161 NZ 62 1 Y 1 B HIS 1410 ? CG ? B HIS 179 CG 63 1 Y 1 B HIS 1410 ? ND1 ? B HIS 179 ND1 64 1 Y 1 B HIS 1410 ? CD2 ? B HIS 179 CD2 65 1 Y 1 B HIS 1410 ? CE1 ? B HIS 179 CE1 66 1 Y 1 B HIS 1410 ? NE2 ? B HIS 179 NE2 # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.9_1692 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2 ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? xia2 ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? . 4 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 90.00 _cell.angle_beta_esd ? _cell.angle_gamma 120.00 _cell.angle_gamma_esd ? _cell.entry_id 5O33 _cell.details ? _cell.formula_units_Z ? _cell.length_a 63.255 _cell.length_a_esd ? _cell.length_b 63.255 _cell.length_b_esd ? _cell.length_c 346.704 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 12 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5O33 _symmetry.cell_setting ? _symmetry.Int_Tables_number 179 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 65 2 2' _symmetry.pdbx_full_space_group_name_H-M ? # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5O33 _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.43 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 49.37 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 4.2 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '0.1M citrate pH4.2, 0.2M sodium chloride, 18% (W/V) PEG 8000' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'DECTRIS PILATUS 2M' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2017-04-11 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.92819 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'DIAMOND BEAMLINE I04-1' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.92819 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline I04-1 _diffrn_source.pdbx_synchrotron_site Diamond # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5O33 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.64 _reflns.d_resolution_low 57.78 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 52137 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 100 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 18.8 _reflns.pdbx_Rmerge_I_obs 0.0971 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 11.21 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _refine.aniso_B[1][1] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][2] ? _refine.aniso_B[2][3] ? _refine.aniso_B[3][3] ? _refine.B_iso_max ? _refine.B_iso_mean ? _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.details ? _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5O33 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 1.640 _refine.ls_d_res_low 54.780 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 49371 _refine.ls_number_reflns_R_free 2442 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 94.99 _refine.ls_percent_reflns_R_free 4.95 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.2084 _refine.ls_R_factor_R_free 0.2398 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.2067 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details ? _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.33 _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model 2NZ8 _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error 31.48 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B ? _refine.overall_SU_ML 0.29 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2787 _refine_hist.pdbx_number_atoms_nucleic_acid 28 _refine_hist.pdbx_number_atoms_ligand 24 _refine_hist.number_atoms_solvent 282 _refine_hist.number_atoms_total 3121 _refine_hist.d_res_high 1.640 _refine_hist.d_res_low 54.780 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.009 ? 2921 ? f_bond_d ? ? 'X-RAY DIFFRACTION' ? 1.072 ? 3968 ? f_angle_d ? ? 'X-RAY DIFFRACTION' ? 14.308 ? 1071 ? f_dihedral_angle_d ? ? 'X-RAY DIFFRACTION' ? 0.043 ? 451 ? f_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.005 ? 503 ? f_plane_restr ? ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.R_factor_R_work _refine_ls_shell.redundancy_reflns_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.wR_factor_all _refine_ls_shell.wR_factor_obs _refine_ls_shell.wR_factor_R_free _refine_ls_shell.wR_factor_R_work _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.pdbx_phase_error _refine_ls_shell.pdbx_fsc_work _refine_ls_shell.pdbx_fsc_free 'X-RAY DIFFRACTION' 1.6402 1.6737 . . 141 2493 88.00 . . . 0.4863 . 0.4308 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.6737 1.7101 . . 118 2621 92.00 . . . 0.4064 . 0.4130 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.7101 1.7499 . . 135 2561 91.00 . . . 0.4744 . 0.3939 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.7499 1.7936 . . 118 2637 93.00 . . . 0.3981 . 0.3612 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.7936 1.8421 . . 145 2623 93.00 . . . 0.3450 . 0.3296 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.8421 1.8963 . . 139 2692 94.00 . . . 0.3537 . 0.3079 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.8963 1.9575 . . 147 2698 95.00 . . . 0.3252 . 0.2911 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.9575 2.0275 . . 150 2713 95.00 . . . 0.3613 . 0.2716 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.0275 2.1087 . . 137 2786 96.00 . . . 0.3283 . 0.2594 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.1087 2.2047 . . 155 2696 95.00 . . . 0.3131 . 0.2343 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.2047 2.3209 . . 143 2800 97.00 . . . 0.2378 . 0.2155 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.3209 2.4663 . . 117 2814 96.00 . . . 0.2577 . 0.2017 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.4663 2.6567 . . 147 2835 97.00 . . . 0.2375 . 0.2076 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.6567 2.9241 . . 151 2847 97.00 . . . 0.2562 . 0.2035 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.9241 3.3471 . . 140 2921 98.00 . . . 0.2212 . 0.2015 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.3471 4.2168 . . 162 3001 99.00 . . . 0.1973 . 0.1644 . . . . . . . . . . 'X-RAY DIFFRACTION' 4.2168 54.8106 . . 197 3191 99.00 . . . 0.1870 . 0.1671 . . . . . . . . . . # _struct.entry_id 5O33 _struct.title 'A structure of the GEF Kalirin DH1 domain in complex with the small GTPase Rac1' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag N # _struct_keywords.entry_id 5O33 _struct_keywords.text 'Complex. GEF. Small GTPase, hydrolase' _struct_keywords.pdbx_keywords HYDROLASE # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 3 ? E N N 4 ? F N N 3 ? G N N 3 ? H N N 3 ? I N N 3 ? J N N 5 ? K N N 5 ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin 1 UNP RAC1_HUMAN P63000 ? 1 ;MQAIKCVVVGDGAVGKTCLLISYTTNAFPGEYIPTVFDNYSANVMVDGKPVNLGLWDTAGQEDYDRLRPLSYPQTDVFLI CFSLVSPASFENVRAKWYPEVRHHCPNTPIILVGTKLDLRDDKDTIEKLKEKKLTPITYPQGLAMAKEIGAVKYLECSAL TQRGLKTVFDEAIRAVL ; 1 2 UNP KALRN_RAT P97924 ? 2 ;RKKEFIMAELLQTEKAYVRDLHECLETYLWEMTSGVEEIPPGILNKEHIIFGNIQEIYDFHNNIFLKELEKYEQLPEDVG HCFVTWADKFQMYVTYCKNKPDSNQLILEHAGTFFDEIQQRHGLANSISSYLIKPVQRVTKYQLLLKELLTCCEEGKGEL KDGLEVMLSVPKKANDAMHV ; 1253 # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 5O33 A 1 ? 177 ? P63000 1 ? 177 ? 1 177 2 2 5O33 B 1 ? 180 ? P97924 1253 ? 1432 ? 1232 1411 # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 4190 ? 1 MORE -3 ? 1 'SSA (A^2)' 15930 ? # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K # _pdbx_struct_assembly_auth_evidence.id 1 _pdbx_struct_assembly_auth_evidence.assembly_id 1 _pdbx_struct_assembly_auth_evidence.experimental_support SAXS _pdbx_struct_assembly_auth_evidence.details ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 GLY A 15 ? ASN A 26 ? GLY A 15 ASN A 26 1 ? 12 HELX_P HELX_P2 AA2 LEU A 67 ? TYR A 72 ? LEU A 67 TYR A 72 5 ? 6 HELX_P HELX_P3 AA3 SER A 86 ? LYS A 96 ? SER A 86 LYS A 96 1 ? 11 HELX_P HELX_P4 AA4 LYS A 96 ? CYS A 105 ? LYS A 96 CYS A 105 1 ? 10 HELX_P HELX_P5 AA5 LYS A 116 ? ARG A 120 ? LYS A 116 ARG A 120 5 ? 5 HELX_P HELX_P6 AA6 ASP A 122 ? GLU A 131 ? ASP A 122 GLU A 131 1 ? 10 HELX_P HELX_P7 AA7 THR A 138 ? GLY A 150 ? THR A 138 GLY A 150 1 ? 13 HELX_P HELX_P8 AA8 GLY A 164 ? LEU A 177 ? GLY A 164 LEU A 177 1 ? 14 HELX_P HELX_P9 AA9 LYS B 2 ? THR B 27 ? LYS B 1233 THR B 1258 1 ? 26 HELX_P HELX_P10 AB1 THR B 27 ? GLY B 35 ? THR B 1258 GLY B 1266 1 ? 9 HELX_P HELX_P11 AB2 LYS B 46 ? GLY B 52 ? LYS B 1277 GLY B 1283 1 ? 7 HELX_P HELX_P12 AB3 ASN B 53 ? ILE B 64 ? ASN B 1284 ILE B 1295 1 ? 12 HELX_P HELX_P13 AB4 ILE B 64 ? TYR B 72 ? ILE B 1295 TYR B 1303 1 ? 9 HELX_P HELX_P14 AB5 LEU B 75 ? ASP B 78 ? LEU B 1306 ASP B 1309 5 ? 4 HELX_P HELX_P15 AB6 VAL B 79 ? TRP B 86 ? VAL B 1310 TRP B 1317 1 ? 8 HELX_P HELX_P16 AB7 ALA B 87 ? PHE B 90 ? ALA B 1318 PHE B 1321 5 ? 4 HELX_P HELX_P17 AB8 GLN B 91 ? ALA B 111 ? GLN B 1322 ALA B 1342 1 ? 21 HELX_P HELX_P18 AB9 THR B 113 ? GLY B 123 ? THR B 1344 GLY B 1354 1 ? 11 HELX_P HELX_P19 AC1 SER B 127 ? ILE B 133 ? SER B 1358 ILE B 1364 1 ? 7 HELX_P HELX_P20 AC2 ILE B 133 ? THR B 140 ? ILE B 1364 THR B 1371 1 ? 8 HELX_P HELX_P21 AC3 LYS B 141 ? THR B 151 ? LYS B 1372 THR B 1382 1 ? 11 HELX_P HELX_P22 AC4 GLY B 156 ? ALA B 177 ? GLY B 1387 ALA B 1408 1 ? 22 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id GLU _struct_mon_prot_cis.label_seq_id 155 _struct_mon_prot_cis.label_asym_id B _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id GLU _struct_mon_prot_cis.auth_seq_id 1386 _struct_mon_prot_cis.auth_asym_id B _struct_mon_prot_cis.pdbx_label_comp_id_2 GLY _struct_mon_prot_cis.pdbx_label_seq_id_2 156 _struct_mon_prot_cis.pdbx_label_asym_id_2 B _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 GLY _struct_mon_prot_cis.pdbx_auth_seq_id_2 1387 _struct_mon_prot_cis.pdbx_auth_asym_id_2 B _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle -6.83 # _struct_sheet.id AA1 _struct_sheet.type ? _struct_sheet.number_strands 6 _struct_sheet.details ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA1 2 3 ? parallel AA1 3 4 ? parallel AA1 4 5 ? parallel AA1 5 6 ? parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 TYR A 40 ? VAL A 46 ? TYR A 40 VAL A 46 AA1 2 LYS A 49 ? TRP A 56 ? LYS A 49 TRP A 56 AA1 3 GLN A 2 ? VAL A 9 ? GLN A 2 VAL A 9 AA1 4 VAL A 77 ? SER A 83 ? VAL A 77 SER A 83 AA1 5 ILE A 110 ? THR A 115 ? ILE A 110 THR A 115 AA1 6 LYS A 153 ? GLU A 156 ? LYS A 153 GLU A 156 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 N TYR A 40 ? N TYR A 40 O LEU A 55 ? O LEU A 55 AA1 2 3 O GLY A 54 ? O GLY A 54 N ILE A 4 ? N ILE A 4 AA1 3 4 N VAL A 9 ? N VAL A 9 O CYS A 81 ? O CYS A 81 AA1 4 5 N PHE A 82 ? N PHE A 82 O THR A 115 ? O THR A 115 AA1 5 6 N GLY A 114 ? N GLY A 114 O LEU A 155 ? O LEU A 155 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A EDO 201 ? 5 'binding site for residue EDO A 201' AC2 Software A EDO 202 ? 5 'binding site for residue EDO A 202' AC3 Software A GDP 203 ? 18 'binding site for residue GDP A 203' AC4 Software B EDO 1501 ? 4 'binding site for residue EDO B 1501' AC5 Software B EDO 1502 ? 6 'binding site for residue EDO B 1502' AC6 Software B EDO 1503 ? 5 'binding site for residue EDO B 1503' AC7 Software B EDO 1504 ? 2 'binding site for residue EDO B 1504' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 5 LYS A 153 ? LYS A 153 . ? 1_555 ? 2 AC1 5 TYR A 154 ? TYR A 154 . ? 1_555 ? 3 AC1 5 HOH J . ? HOH A 301 . ? 1_555 ? 4 AC1 5 HOH J . ? HOH A 370 . ? 1_555 ? 5 AC1 5 HOH J . ? HOH A 377 . ? 1_555 ? 6 AC2 5 ASP A 121 ? ASP A 121 . ? 1_555 ? 7 AC2 5 HOH J . ? HOH A 331 . ? 1_555 ? 8 AC2 5 HOH J . ? HOH A 354 . ? 1_555 ? 9 AC2 5 THR B 85 ? THR B 1316 . ? 10_545 ? 10 AC2 5 TRP B 86 ? TRP B 1317 . ? 10_545 ? 11 AC3 18 ASP A 11 ? ASP A 11 . ? 1_555 ? 12 AC3 18 ALA A 13 ? ALA A 13 . ? 1_555 ? 13 AC3 18 VAL A 14 ? VAL A 14 . ? 1_555 ? 14 AC3 18 GLY A 15 ? GLY A 15 . ? 1_555 ? 15 AC3 18 LYS A 16 ? LYS A 16 . ? 1_555 ? 16 AC3 18 THR A 17 ? THR A 17 . ? 1_555 ? 17 AC3 18 CYS A 18 ? CYS A 18 . ? 1_555 ? 18 AC3 18 ILE A 33 ? ILE A 33 . ? 1_555 ? 19 AC3 18 LYS A 116 ? LYS A 116 . ? 1_555 ? 20 AC3 18 ASP A 118 ? ASP A 118 . ? 1_555 ? 21 AC3 18 LEU A 119 ? LEU A 119 . ? 1_555 ? 22 AC3 18 SER A 158 ? SER A 158 . ? 1_555 ? 23 AC3 18 ALA A 159 ? ALA A 159 . ? 1_555 ? 24 AC3 18 LEU A 160 ? LEU A 160 . ? 1_555 ? 25 AC3 18 HOH J . ? HOH A 307 . ? 1_555 ? 26 AC3 18 HOH J . ? HOH A 363 . ? 1_555 ? 27 AC3 18 HOH J . ? HOH A 368 . ? 1_555 ? 28 AC3 18 HOH J . ? HOH A 371 . ? 1_555 ? 29 AC4 4 ARG B 1 ? ARG B 1232 . ? 10_555 ? 30 AC4 4 PHE B 5 ? PHE B 1236 . ? 1_555 ? 31 AC4 4 ALA B 8 ? ALA B 1239 . ? 1_555 ? 32 AC4 4 GLN B 12 ? GLN B 1243 . ? 1_555 ? 33 AC5 6 VAL A 36 ? VAL A 36 . ? 1_555 ? 34 AC5 6 ASP A 38 ? ASP A 38 . ? 1_555 ? 35 AC5 6 GLN B 137 ? GLN B 1368 . ? 1_555 ? 36 AC5 6 ARG B 138 ? ARG B 1369 . ? 1_555 ? 37 AC5 6 HOH K . ? HOH B 1609 . ? 1_555 ? 38 AC5 6 HOH K . ? HOH B 1643 . ? 1_555 ? 39 AC6 5 THR A 138 ? THR A 138 . ? 10_455 ? 40 AC6 5 HOH J . ? HOH A 328 . ? 10_455 ? 41 AC6 5 GLU B 68 ? GLU B 1299 . ? 1_555 ? 42 AC6 5 HOH K . ? HOH B 1669 . ? 1_555 ? 43 AC6 5 HOH K . ? HOH B 1688 . ? 1_555 ? 44 AC7 2 ARG B 1 ? ARG B 1232 . ? 1_555 ? 45 AC7 2 LYS B 2 ? LYS B 1233 . ? 1_555 ? # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O A HOH 407 ? ? O A HOH 436 ? ? 2.01 2 1 NH2 B ARG 1369 ? ? O B HOH 1601 ? ? 2.14 3 1 OE1 B GLU 1245 ? ? O B HOH 1601 ? ? 2.16 4 1 O A HOH 407 ? ? O A HOH 418 ? ? 2.18 5 1 O A HOH 430 ? ? O A HOH 442 ? ? 2.19 # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 O _pdbx_validate_symm_contact.auth_asym_id_1 A _pdbx_validate_symm_contact.auth_comp_id_1 HOH _pdbx_validate_symm_contact.auth_seq_id_1 325 _pdbx_validate_symm_contact.PDB_ins_code_1 ? _pdbx_validate_symm_contact.label_alt_id_1 ? _pdbx_validate_symm_contact.site_symmetry_1 1_555 _pdbx_validate_symm_contact.auth_atom_id_2 O _pdbx_validate_symm_contact.auth_asym_id_2 A _pdbx_validate_symm_contact.auth_comp_id_2 HOH _pdbx_validate_symm_contact.auth_seq_id_2 325 _pdbx_validate_symm_contact.PDB_ins_code_2 ? _pdbx_validate_symm_contact.label_alt_id_2 ? _pdbx_validate_symm_contact.site_symmetry_2 10_445 _pdbx_validate_symm_contact.dist 2.17 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 LYS A 96 ? ? -127.36 -55.38 2 1 THR B 1258 ? ? -116.68 -76.71 3 1 GLU B 1268 ? ? -130.89 -157.13 4 1 ILE B 1295 ? ? -125.94 -60.33 5 1 CYS B 1383 ? ? -140.81 17.31 # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined 1.3091 -14.7920 17.8238 0.3375 0.2642 0.3136 0.1402 -0.0737 -0.0167 2.8808 3.4797 0.2010 0.3300 0.2375 -0.7733 -0.0673 0.0519 0.1119 -0.1520 -0.1877 -0.0831 -0.0414 0.0780 0.0992 'X-RAY DIFFRACTION' 2 ? refined 2.0000 -7.6085 18.0962 0.3010 0.3909 0.4921 0.1379 -0.0069 0.0212 3.0797 0.9483 1.7623 0.7972 1.5818 -0.3372 0.0777 -0.0382 0.2282 -0.1960 -0.1457 -0.2654 -0.0015 -0.2913 0.1361 'X-RAY DIFFRACTION' 3 ? refined -6.2186 -20.3984 14.0088 0.3603 0.3520 0.3433 0.1740 -0.1126 -0.0768 2.8121 2.4852 2.0251 -0.6017 -0.2404 -0.5182 0.2458 0.4607 -0.3896 -0.4295 -0.2409 0.2887 0.2594 0.0064 0.0078 'X-RAY DIFFRACTION' 4 ? refined 4.3515 -26.9323 27.3522 0.2472 0.2612 0.3153 0.1463 -0.0014 -0.0075 2.9628 3.1164 2.0385 -0.2112 1.1888 -0.4809 0.0431 -0.2160 -0.3460 -0.0885 -0.0951 0.0718 0.1797 -0.0510 -0.0092 'X-RAY DIFFRACTION' 5 ? refined 11.1859 -18.1708 18.8198 0.2868 0.3211 0.3399 0.2028 0.0375 0.0198 2.0939 2.0396 2.5599 -0.5533 0.2583 1.2878 0.0330 0.4487 0.2739 -0.3659 -0.0185 -0.6319 -0.0656 0.7086 -0.0375 'X-RAY DIFFRACTION' 6 ? refined -14.0037 -1.8726 18.1250 0.1328 0.2649 0.3046 0.0432 0.0066 -0.0060 2.8382 2.5972 8.6778 -0.3454 2.4648 1.0240 -0.0492 0.1588 0.4199 0.0587 0.0868 -0.3905 -0.5342 0.5106 -0.0720 'X-RAY DIFFRACTION' 7 ? refined -18.2683 -12.0539 -8.1520 0.7837 0.9012 0.2579 0.2828 -0.1278 -0.1025 2.2623 1.6622 1.7696 0.3823 -1.0534 -0.7859 0.1057 0.4964 -0.9285 -1.1974 0.0980 0.3938 0.8702 0.7406 -0.3093 'X-RAY DIFFRACTION' 8 ? refined -22.9513 -10.3635 14.2875 0.1939 0.3213 0.3499 0.0360 -0.0847 -0.0097 2.4499 2.9563 3.0645 -1.6927 0.1819 0.0257 0.3050 0.2022 -0.3159 -0.1556 -0.0424 0.3487 0.4292 -0.1379 -0.1660 'X-RAY DIFFRACTION' 9 ? refined -8.6796 -11.4140 -5.6837 0.7330 1.2658 0.0607 0.4505 0.1555 -0.0146 1.9603 0.4567 3.7018 0.9135 -0.3771 -0.5610 0.2410 1.2095 -0.1035 -0.3950 0.2071 -0.0067 -0.1870 0.2448 0.0743 'X-RAY DIFFRACTION' 10 ? refined -11.8999 -12.1517 10.3885 0.3144 0.4175 0.2798 0.1347 -0.0468 -0.0786 2.1868 0.7568 1.1033 -1.0973 -0.7023 -0.0723 0.4025 0.2331 -0.1026 -0.4142 -0.0937 0.0953 0.0855 0.4804 -0.1887 'X-RAY DIFFRACTION' 11 ? refined -15.4574 -8.6681 32.6880 0.3499 0.4102 0.3488 0.1594 -0.0378 -0.0019 2.6102 2.9956 1.9404 1.1341 1.1312 0.9254 -0.1215 -0.6084 0.3007 0.7592 0.3732 -0.1358 0.0220 0.1424 -0.3015 'X-RAY DIFFRACTION' 12 ? refined -23.0968 -18.0740 25.9345 0.3349 0.4060 0.4797 -0.0237 -0.0529 0.1035 2.6267 2.2976 2.4387 1.1346 1.4577 -0.7675 0.4519 -0.4438 -0.5565 0.8833 -0.0564 0.4421 0.7739 -0.7131 -0.4694 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 1 through 25 ) ; 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 26 through 48 ) ; 'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 49 through 76 ) ; 'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 77 through 149 ) ; 'X-RAY DIFFRACTION' 5 5 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 150 through 177 ) ; 'X-RAY DIFFRACTION' 6 6 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 1232 through 1257 ) ; 'X-RAY DIFFRACTION' 7 7 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 1258 through 1277 ) ; 'X-RAY DIFFRACTION' 8 8 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 1278 through 1341 ) ; 'X-RAY DIFFRACTION' 9 9 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 1342 through 1353 ) ; 'X-RAY DIFFRACTION' 10 10 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 1354 through 1372 ) ; 'X-RAY DIFFRACTION' 11 11 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 1373 through 1387 ) ; 'X-RAY DIFFRACTION' 12 12 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 1388 through 1410 ) ; # _pdbx_unobs_or_zero_occ_residues.id 1 _pdbx_unobs_or_zero_occ_residues.PDB_model_num 1 _pdbx_unobs_or_zero_occ_residues.polymer_flag Y _pdbx_unobs_or_zero_occ_residues.occupancy_flag 1 _pdbx_unobs_or_zero_occ_residues.auth_asym_id B _pdbx_unobs_or_zero_occ_residues.auth_comp_id VAL _pdbx_unobs_or_zero_occ_residues.auth_seq_id 1411 _pdbx_unobs_or_zero_occ_residues.PDB_ins_code ? _pdbx_unobs_or_zero_occ_residues.label_asym_id B _pdbx_unobs_or_zero_occ_residues.label_comp_id VAL _pdbx_unobs_or_zero_occ_residues.label_seq_id 180 # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.pdbx_ordinal ALA N N N N 1 ALA CA C N S 2 ALA C C N N 3 ALA O O N N 4 ALA CB C N N 5 ALA OXT O N N 6 ALA H H N N 7 ALA H2 H N N 8 ALA HA H N N 9 ALA HB1 H N N 10 ALA HB2 H N N 11 ALA HB3 H N N 12 ALA HXT H N N 13 ARG N N N N 14 ARG CA C N S 15 ARG C C N N 16 ARG O O N N 17 ARG CB C N N 18 ARG CG C N N 19 ARG CD C N N 20 ARG NE N N N 21 ARG CZ C N N 22 ARG NH1 N N N 23 ARG NH2 N N N 24 ARG OXT O N N 25 ARG H H N N 26 ARG H2 H N N 27 ARG HA H N N 28 ARG HB2 H N N 29 ARG HB3 H N N 30 ARG HG2 H N N 31 ARG HG3 H N N 32 ARG HD2 H N N 33 ARG HD3 H N N 34 ARG HE H N N 35 ARG HH11 H N N 36 ARG HH12 H N N 37 ARG HH21 H N N 38 ARG HH22 H N N 39 ARG HXT H N N 40 ASN N N N N 41 ASN CA C N S 42 ASN C C N N 43 ASN O O N N 44 ASN CB C N N 45 ASN CG C N N 46 ASN OD1 O N N 47 ASN ND2 N N N 48 ASN OXT O N N 49 ASN H H N N 50 ASN H2 H N N 51 ASN HA H N N 52 ASN HB2 H N N 53 ASN HB3 H N N 54 ASN HD21 H N N 55 ASN HD22 H N N 56 ASN HXT H N N 57 ASP N N N N 58 ASP CA C N S 59 ASP C C N N 60 ASP O O N N 61 ASP CB C N N 62 ASP CG C N N 63 ASP OD1 O N N 64 ASP OD2 O N N 65 ASP OXT O N N 66 ASP H H N N 67 ASP H2 H N N 68 ASP HA H N N 69 ASP HB2 H N N 70 ASP HB3 H N N 71 ASP HD2 H N N 72 ASP HXT H N N 73 CYS N N N N 74 CYS CA C N R 75 CYS C C N N 76 CYS O O N N 77 CYS CB C N N 78 CYS SG S N N 79 CYS OXT O N N 80 CYS H H N N 81 CYS H2 H N N 82 CYS HA H N N 83 CYS HB2 H N N 84 CYS HB3 H N N 85 CYS HG H N N 86 CYS HXT H N N 87 EDO C1 C N N 88 EDO O1 O N N 89 EDO C2 C N N 90 EDO O2 O N N 91 EDO H11 H N N 92 EDO H12 H N N 93 EDO HO1 H N N 94 EDO H21 H N N 95 EDO H22 H N N 96 EDO HO2 H N N 97 GDP PB P N N 98 GDP O1B O N N 99 GDP O2B O N N 100 GDP O3B O N N 101 GDP O3A O N N 102 GDP PA P N N 103 GDP O1A O N N 104 GDP O2A O N N 105 GDP "O5'" O N N 106 GDP "C5'" C N N 107 GDP "C4'" C N R 108 GDP "O4'" O N N 109 GDP "C3'" C N S 110 GDP "O3'" O N N 111 GDP "C2'" C N R 112 GDP "O2'" O N N 113 GDP "C1'" C N R 114 GDP N9 N Y N 115 GDP C8 C Y N 116 GDP N7 N Y N 117 GDP C5 C Y N 118 GDP C6 C N N 119 GDP O6 O N N 120 GDP N1 N N N 121 GDP C2 C N N 122 GDP N2 N N N 123 GDP N3 N N N 124 GDP C4 C Y N 125 GDP HOB2 H N N 126 GDP HOB3 H N N 127 GDP HOA2 H N N 128 GDP "H5'" H N N 129 GDP "H5''" H N N 130 GDP "H4'" H N N 131 GDP "H3'" H N N 132 GDP "HO3'" H N N 133 GDP "H2'" H N N 134 GDP "HO2'" H N N 135 GDP "H1'" H N N 136 GDP H8 H N N 137 GDP HN1 H N N 138 GDP HN21 H N N 139 GDP HN22 H N N 140 GLN N N N N 141 GLN CA C N S 142 GLN C C N N 143 GLN O O N N 144 GLN CB C N N 145 GLN CG C N N 146 GLN CD C N N 147 GLN OE1 O N N 148 GLN NE2 N N N 149 GLN OXT O N N 150 GLN H H N N 151 GLN H2 H N N 152 GLN HA H N N 153 GLN HB2 H N N 154 GLN HB3 H N N 155 GLN HG2 H N N 156 GLN HG3 H N N 157 GLN HE21 H N N 158 GLN HE22 H N N 159 GLN HXT H N N 160 GLU N N N N 161 GLU CA C N S 162 GLU C C N N 163 GLU O O N N 164 GLU CB C N N 165 GLU CG C N N 166 GLU CD C N N 167 GLU OE1 O N N 168 GLU OE2 O N N 169 GLU OXT O N N 170 GLU H H N N 171 GLU H2 H N N 172 GLU HA H N N 173 GLU HB2 H N N 174 GLU HB3 H N N 175 GLU HG2 H N N 176 GLU HG3 H N N 177 GLU HE2 H N N 178 GLU HXT H N N 179 GLY N N N N 180 GLY CA C N N 181 GLY C C N N 182 GLY O O N N 183 GLY OXT O N N 184 GLY H H N N 185 GLY H2 H N N 186 GLY HA2 H N N 187 GLY HA3 H N N 188 GLY HXT H N N 189 HIS N N N N 190 HIS CA C N S 191 HIS C C N N 192 HIS O O N N 193 HIS CB C N N 194 HIS CG C Y N 195 HIS ND1 N Y N 196 HIS CD2 C Y N 197 HIS CE1 C Y N 198 HIS NE2 N Y N 199 HIS OXT O N N 200 HIS H H N N 201 HIS H2 H N N 202 HIS HA H N N 203 HIS HB2 H N N 204 HIS HB3 H N N 205 HIS HD1 H N N 206 HIS HD2 H N N 207 HIS HE1 H N N 208 HIS HE2 H N N 209 HIS HXT H N N 210 HOH O O N N 211 HOH H1 H N N 212 HOH H2 H N N 213 ILE N N N N 214 ILE CA C N S 215 ILE C C N N 216 ILE O O N N 217 ILE CB C N S 218 ILE CG1 C N N 219 ILE CG2 C N N 220 ILE CD1 C N N 221 ILE OXT O N N 222 ILE H H N N 223 ILE H2 H N N 224 ILE HA H N N 225 ILE HB H N N 226 ILE HG12 H N N 227 ILE HG13 H N N 228 ILE HG21 H N N 229 ILE HG22 H N N 230 ILE HG23 H N N 231 ILE HD11 H N N 232 ILE HD12 H N N 233 ILE HD13 H N N 234 ILE HXT H N N 235 LEU N N N N 236 LEU CA C N S 237 LEU C C N N 238 LEU O O N N 239 LEU CB C N N 240 LEU CG C N N 241 LEU CD1 C N N 242 LEU CD2 C N N 243 LEU OXT O N N 244 LEU H H N N 245 LEU H2 H N N 246 LEU HA H N N 247 LEU HB2 H N N 248 LEU HB3 H N N 249 LEU HG H N N 250 LEU HD11 H N N 251 LEU HD12 H N N 252 LEU HD13 H N N 253 LEU HD21 H N N 254 LEU HD22 H N N 255 LEU HD23 H N N 256 LEU HXT H N N 257 LYS N N N N 258 LYS CA C N S 259 LYS C C N N 260 LYS O O N N 261 LYS CB C N N 262 LYS CG C N N 263 LYS CD C N N 264 LYS CE C N N 265 LYS NZ N N N 266 LYS OXT O N N 267 LYS H H N N 268 LYS H2 H N N 269 LYS HA H N N 270 LYS HB2 H N N 271 LYS HB3 H N N 272 LYS HG2 H N N 273 LYS HG3 H N N 274 LYS HD2 H N N 275 LYS HD3 H N N 276 LYS HE2 H N N 277 LYS HE3 H N N 278 LYS HZ1 H N N 279 LYS HZ2 H N N 280 LYS HZ3 H N N 281 LYS HXT H N N 282 MET N N N N 283 MET CA C N S 284 MET C C N N 285 MET O O N N 286 MET CB C N N 287 MET CG C N N 288 MET SD S N N 289 MET CE C N N 290 MET OXT O N N 291 MET H H N N 292 MET H2 H N N 293 MET HA H N N 294 MET HB2 H N N 295 MET HB3 H N N 296 MET HG2 H N N 297 MET HG3 H N N 298 MET HE1 H N N 299 MET HE2 H N N 300 MET HE3 H N N 301 MET HXT H N N 302 PHE N N N N 303 PHE CA C N S 304 PHE C C N N 305 PHE O O N N 306 PHE CB C N N 307 PHE CG C Y N 308 PHE CD1 C Y N 309 PHE CD2 C Y N 310 PHE CE1 C Y N 311 PHE CE2 C Y N 312 PHE CZ C Y N 313 PHE OXT O N N 314 PHE H H N N 315 PHE H2 H N N 316 PHE HA H N N 317 PHE HB2 H N N 318 PHE HB3 H N N 319 PHE HD1 H N N 320 PHE HD2 H N N 321 PHE HE1 H N N 322 PHE HE2 H N N 323 PHE HZ H N N 324 PHE HXT H N N 325 PRO N N N N 326 PRO CA C N S 327 PRO C C N N 328 PRO O O N N 329 PRO CB C N N 330 PRO CG C N N 331 PRO CD C N N 332 PRO OXT O N N 333 PRO H H N N 334 PRO HA H N N 335 PRO HB2 H N N 336 PRO HB3 H N N 337 PRO HG2 H N N 338 PRO HG3 H N N 339 PRO HD2 H N N 340 PRO HD3 H N N 341 PRO HXT H N N 342 SER N N N N 343 SER CA C N S 344 SER C C N N 345 SER O O N N 346 SER CB C N N 347 SER OG O N N 348 SER OXT O N N 349 SER H H N N 350 SER H2 H N N 351 SER HA H N N 352 SER HB2 H N N 353 SER HB3 H N N 354 SER HG H N N 355 SER HXT H N N 356 THR N N N N 357 THR CA C N S 358 THR C C N N 359 THR O O N N 360 THR CB C N R 361 THR OG1 O N N 362 THR CG2 C N N 363 THR OXT O N N 364 THR H H N N 365 THR H2 H N N 366 THR HA H N N 367 THR HB H N N 368 THR HG1 H N N 369 THR HG21 H N N 370 THR HG22 H N N 371 THR HG23 H N N 372 THR HXT H N N 373 TRP N N N N 374 TRP CA C N S 375 TRP C C N N 376 TRP O O N N 377 TRP CB C N N 378 TRP CG C Y N 379 TRP CD1 C Y N 380 TRP CD2 C Y N 381 TRP NE1 N Y N 382 TRP CE2 C Y N 383 TRP CE3 C Y N 384 TRP CZ2 C Y N 385 TRP CZ3 C Y N 386 TRP CH2 C Y N 387 TRP OXT O N N 388 TRP H H N N 389 TRP H2 H N N 390 TRP HA H N N 391 TRP HB2 H N N 392 TRP HB3 H N N 393 TRP HD1 H N N 394 TRP HE1 H N N 395 TRP HE3 H N N 396 TRP HZ2 H N N 397 TRP HZ3 H N N 398 TRP HH2 H N N 399 TRP HXT H N N 400 TYR N N N N 401 TYR CA C N S 402 TYR C C N N 403 TYR O O N N 404 TYR CB C N N 405 TYR CG C Y N 406 TYR CD1 C Y N 407 TYR CD2 C Y N 408 TYR CE1 C Y N 409 TYR CE2 C Y N 410 TYR CZ C Y N 411 TYR OH O N N 412 TYR OXT O N N 413 TYR H H N N 414 TYR H2 H N N 415 TYR HA H N N 416 TYR HB2 H N N 417 TYR HB3 H N N 418 TYR HD1 H N N 419 TYR HD2 H N N 420 TYR HE1 H N N 421 TYR HE2 H N N 422 TYR HH H N N 423 TYR HXT H N N 424 VAL N N N N 425 VAL CA C N S 426 VAL C C N N 427 VAL O O N N 428 VAL CB C N N 429 VAL CG1 C N N 430 VAL CG2 C N N 431 VAL OXT O N N 432 VAL H H N N 433 VAL H2 H N N 434 VAL HA H N N 435 VAL HB H N N 436 VAL HG11 H N N 437 VAL HG12 H N N 438 VAL HG13 H N N 439 VAL HG21 H N N 440 VAL HG22 H N N 441 VAL HG23 H N N 442 VAL HXT H N N 443 # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal ALA N CA sing N N 1 ALA N H sing N N 2 ALA N H2 sing N N 3 ALA CA C sing N N 4 ALA CA CB sing N N 5 ALA CA HA sing N N 6 ALA C O doub N N 7 ALA C OXT sing N N 8 ALA CB HB1 sing N N 9 ALA CB HB2 sing N N 10 ALA CB HB3 sing N N 11 ALA OXT HXT sing N N 12 ARG N CA sing N N 13 ARG N H sing N N 14 ARG N H2 sing N N 15 ARG CA C sing N N 16 ARG CA CB sing N N 17 ARG CA HA sing N N 18 ARG C O doub N N 19 ARG C OXT sing N N 20 ARG CB CG sing N N 21 ARG CB HB2 sing N N 22 ARG CB HB3 sing N N 23 ARG CG CD sing N N 24 ARG CG HG2 sing N N 25 ARG CG HG3 sing N N 26 ARG CD NE sing N N 27 ARG CD HD2 sing N N 28 ARG CD HD3 sing N N 29 ARG NE CZ sing N N 30 ARG NE HE sing N N 31 ARG CZ NH1 sing N N 32 ARG CZ NH2 doub N N 33 ARG NH1 HH11 sing N N 34 ARG NH1 HH12 sing N N 35 ARG NH2 HH21 sing N N 36 ARG NH2 HH22 sing N N 37 ARG OXT HXT sing N N 38 ASN N CA sing N N 39 ASN N H sing N N 40 ASN N H2 sing N N 41 ASN CA C sing N N 42 ASN CA CB sing N N 43 ASN CA HA sing N N 44 ASN C O doub N N 45 ASN C OXT sing N N 46 ASN CB CG sing N N 47 ASN CB HB2 sing N N 48 ASN CB HB3 sing N N 49 ASN CG OD1 doub N N 50 ASN CG ND2 sing N N 51 ASN ND2 HD21 sing N N 52 ASN ND2 HD22 sing N N 53 ASN OXT HXT sing N N 54 ASP N CA sing N N 55 ASP N H sing N N 56 ASP N H2 sing N N 57 ASP CA C sing N N 58 ASP CA CB sing N N 59 ASP CA HA sing N N 60 ASP C O doub N N 61 ASP C OXT sing N N 62 ASP CB CG sing N N 63 ASP CB HB2 sing N N 64 ASP CB HB3 sing N N 65 ASP CG OD1 doub N N 66 ASP CG OD2 sing N N 67 ASP OD2 HD2 sing N N 68 ASP OXT HXT sing N N 69 CYS N CA sing N N 70 CYS N H sing N N 71 CYS N H2 sing N N 72 CYS CA C sing N N 73 CYS CA CB sing N N 74 CYS CA HA sing N N 75 CYS C O doub N N 76 CYS C OXT sing N N 77 CYS CB SG sing N N 78 CYS CB HB2 sing N N 79 CYS CB HB3 sing N N 80 CYS SG HG sing N N 81 CYS OXT HXT sing N N 82 EDO C1 O1 sing N N 83 EDO C1 C2 sing N N 84 EDO C1 H11 sing N N 85 EDO C1 H12 sing N N 86 EDO O1 HO1 sing N N 87 EDO C2 O2 sing N N 88 EDO C2 H21 sing N N 89 EDO C2 H22 sing N N 90 EDO O2 HO2 sing N N 91 GDP PB O1B doub N N 92 GDP PB O2B sing N N 93 GDP PB O3B sing N N 94 GDP PB O3A sing N N 95 GDP O2B HOB2 sing N N 96 GDP O3B HOB3 sing N N 97 GDP O3A PA sing N N 98 GDP PA O1A doub N N 99 GDP PA O2A sing N N 100 GDP PA "O5'" sing N N 101 GDP O2A HOA2 sing N N 102 GDP "O5'" "C5'" sing N N 103 GDP "C5'" "C4'" sing N N 104 GDP "C5'" "H5'" sing N N 105 GDP "C5'" "H5''" sing N N 106 GDP "C4'" "O4'" sing N N 107 GDP "C4'" "C3'" sing N N 108 GDP "C4'" "H4'" sing N N 109 GDP "O4'" "C1'" sing N N 110 GDP "C3'" "O3'" sing N N 111 GDP "C3'" "C2'" sing N N 112 GDP "C3'" "H3'" sing N N 113 GDP "O3'" "HO3'" sing N N 114 GDP "C2'" "O2'" sing N N 115 GDP "C2'" "C1'" sing N N 116 GDP "C2'" "H2'" sing N N 117 GDP "O2'" "HO2'" sing N N 118 GDP "C1'" N9 sing N N 119 GDP "C1'" "H1'" sing N N 120 GDP N9 C8 sing Y N 121 GDP N9 C4 sing Y N 122 GDP C8 N7 doub Y N 123 GDP C8 H8 sing N N 124 GDP N7 C5 sing Y N 125 GDP C5 C6 sing N N 126 GDP C5 C4 doub Y N 127 GDP C6 O6 doub N N 128 GDP C6 N1 sing N N 129 GDP N1 C2 sing N N 130 GDP N1 HN1 sing N N 131 GDP C2 N2 sing N N 132 GDP C2 N3 doub N N 133 GDP N2 HN21 sing N N 134 GDP N2 HN22 sing N N 135 GDP N3 C4 sing N N 136 GLN N CA sing N N 137 GLN N H sing N N 138 GLN N H2 sing N N 139 GLN CA C sing N N 140 GLN CA CB sing N N 141 GLN CA HA sing N N 142 GLN C O doub N N 143 GLN C OXT sing N N 144 GLN CB CG sing N N 145 GLN CB HB2 sing N N 146 GLN CB HB3 sing N N 147 GLN CG CD sing N N 148 GLN CG HG2 sing N N 149 GLN CG HG3 sing N N 150 GLN CD OE1 doub N N 151 GLN CD NE2 sing N N 152 GLN NE2 HE21 sing N N 153 GLN NE2 HE22 sing N N 154 GLN OXT HXT sing N N 155 GLU N CA sing N N 156 GLU N H sing N N 157 GLU N H2 sing N N 158 GLU CA C sing N N 159 GLU CA CB sing N N 160 GLU CA HA sing N N 161 GLU C O doub N N 162 GLU C OXT sing N N 163 GLU CB CG sing N N 164 GLU CB HB2 sing N N 165 GLU CB HB3 sing N N 166 GLU CG CD sing N N 167 GLU CG HG2 sing N N 168 GLU CG HG3 sing N N 169 GLU CD OE1 doub N N 170 GLU CD OE2 sing N N 171 GLU OE2 HE2 sing N N 172 GLU OXT HXT sing N N 173 GLY N CA sing N N 174 GLY N H sing N N 175 GLY N H2 sing N N 176 GLY CA C sing N N 177 GLY CA HA2 sing N N 178 GLY CA HA3 sing N N 179 GLY C O doub N N 180 GLY C OXT sing N N 181 GLY OXT HXT sing N N 182 HIS N CA sing N N 183 HIS N H sing N N 184 HIS N H2 sing N N 185 HIS CA C sing N N 186 HIS CA CB sing N N 187 HIS CA HA sing N N 188 HIS C O doub N N 189 HIS C OXT sing N N 190 HIS CB CG sing N N 191 HIS CB HB2 sing N N 192 HIS CB HB3 sing N N 193 HIS CG ND1 sing Y N 194 HIS CG CD2 doub Y N 195 HIS ND1 CE1 doub Y N 196 HIS ND1 HD1 sing N N 197 HIS CD2 NE2 sing Y N 198 HIS CD2 HD2 sing N N 199 HIS CE1 NE2 sing Y N 200 HIS CE1 HE1 sing N N 201 HIS NE2 HE2 sing N N 202 HIS OXT HXT sing N N 203 HOH O H1 sing N N 204 HOH O H2 sing N N 205 ILE N CA sing N N 206 ILE N H sing N N 207 ILE N H2 sing N N 208 ILE CA C sing N N 209 ILE CA CB sing N N 210 ILE CA HA sing N N 211 ILE C O doub N N 212 ILE C OXT sing N N 213 ILE CB CG1 sing N N 214 ILE CB CG2 sing N N 215 ILE CB HB sing N N 216 ILE CG1 CD1 sing N N 217 ILE CG1 HG12 sing N N 218 ILE CG1 HG13 sing N N 219 ILE CG2 HG21 sing N N 220 ILE CG2 HG22 sing N N 221 ILE CG2 HG23 sing N N 222 ILE CD1 HD11 sing N N 223 ILE CD1 HD12 sing N N 224 ILE CD1 HD13 sing N N 225 ILE OXT HXT sing N N 226 LEU N CA sing N N 227 LEU N H sing N N 228 LEU N H2 sing N N 229 LEU CA C sing N N 230 LEU CA CB sing N N 231 LEU CA HA sing N N 232 LEU C O doub N N 233 LEU C OXT sing N N 234 LEU CB CG sing N N 235 LEU CB HB2 sing N N 236 LEU CB HB3 sing N N 237 LEU CG CD1 sing N N 238 LEU CG CD2 sing N N 239 LEU CG HG sing N N 240 LEU CD1 HD11 sing N N 241 LEU CD1 HD12 sing N N 242 LEU CD1 HD13 sing N N 243 LEU CD2 HD21 sing N N 244 LEU CD2 HD22 sing N N 245 LEU CD2 HD23 sing N N 246 LEU OXT HXT sing N N 247 LYS N CA sing N N 248 LYS N H sing N N 249 LYS N H2 sing N N 250 LYS CA C sing N N 251 LYS CA CB sing N N 252 LYS CA HA sing N N 253 LYS C O doub N N 254 LYS C OXT sing N N 255 LYS CB CG sing N N 256 LYS CB HB2 sing N N 257 LYS CB HB3 sing N N 258 LYS CG CD sing N N 259 LYS CG HG2 sing N N 260 LYS CG HG3 sing N N 261 LYS CD CE sing N N 262 LYS CD HD2 sing N N 263 LYS CD HD3 sing N N 264 LYS CE NZ sing N N 265 LYS CE HE2 sing N N 266 LYS CE HE3 sing N N 267 LYS NZ HZ1 sing N N 268 LYS NZ HZ2 sing N N 269 LYS NZ HZ3 sing N N 270 LYS OXT HXT sing N N 271 MET N CA sing N N 272 MET N H sing N N 273 MET N H2 sing N N 274 MET CA C sing N N 275 MET CA CB sing N N 276 MET CA HA sing N N 277 MET C O doub N N 278 MET C OXT sing N N 279 MET CB CG sing N N 280 MET CB HB2 sing N N 281 MET CB HB3 sing N N 282 MET CG SD sing N N 283 MET CG HG2 sing N N 284 MET CG HG3 sing N N 285 MET SD CE sing N N 286 MET CE HE1 sing N N 287 MET CE HE2 sing N N 288 MET CE HE3 sing N N 289 MET OXT HXT sing N N 290 PHE N CA sing N N 291 PHE N H sing N N 292 PHE N H2 sing N N 293 PHE CA C sing N N 294 PHE CA CB sing N N 295 PHE CA HA sing N N 296 PHE C O doub N N 297 PHE C OXT sing N N 298 PHE CB CG sing N N 299 PHE CB HB2 sing N N 300 PHE CB HB3 sing N N 301 PHE CG CD1 doub Y N 302 PHE CG CD2 sing Y N 303 PHE CD1 CE1 sing Y N 304 PHE CD1 HD1 sing N N 305 PHE CD2 CE2 doub Y N 306 PHE CD2 HD2 sing N N 307 PHE CE1 CZ doub Y N 308 PHE CE1 HE1 sing N N 309 PHE CE2 CZ sing Y N 310 PHE CE2 HE2 sing N N 311 PHE CZ HZ sing N N 312 PHE OXT HXT sing N N 313 PRO N CA sing N N 314 PRO N CD sing N N 315 PRO N H sing N N 316 PRO CA C sing N N 317 PRO CA CB sing N N 318 PRO CA HA sing N N 319 PRO C O doub N N 320 PRO C OXT sing N N 321 PRO CB CG sing N N 322 PRO CB HB2 sing N N 323 PRO CB HB3 sing N N 324 PRO CG CD sing N N 325 PRO CG HG2 sing N N 326 PRO CG HG3 sing N N 327 PRO CD HD2 sing N N 328 PRO CD HD3 sing N N 329 PRO OXT HXT sing N N 330 SER N CA sing N N 331 SER N H sing N N 332 SER N H2 sing N N 333 SER CA C sing N N 334 SER CA CB sing N N 335 SER CA HA sing N N 336 SER C O doub N N 337 SER C OXT sing N N 338 SER CB OG sing N N 339 SER CB HB2 sing N N 340 SER CB HB3 sing N N 341 SER OG HG sing N N 342 SER OXT HXT sing N N 343 THR N CA sing N N 344 THR N H sing N N 345 THR N H2 sing N N 346 THR CA C sing N N 347 THR CA CB sing N N 348 THR CA HA sing N N 349 THR C O doub N N 350 THR C OXT sing N N 351 THR CB OG1 sing N N 352 THR CB CG2 sing N N 353 THR CB HB sing N N 354 THR OG1 HG1 sing N N 355 THR CG2 HG21 sing N N 356 THR CG2 HG22 sing N N 357 THR CG2 HG23 sing N N 358 THR OXT HXT sing N N 359 TRP N CA sing N N 360 TRP N H sing N N 361 TRP N H2 sing N N 362 TRP CA C sing N N 363 TRP CA CB sing N N 364 TRP CA HA sing N N 365 TRP C O doub N N 366 TRP C OXT sing N N 367 TRP CB CG sing N N 368 TRP CB HB2 sing N N 369 TRP CB HB3 sing N N 370 TRP CG CD1 doub Y N 371 TRP CG CD2 sing Y N 372 TRP CD1 NE1 sing Y N 373 TRP CD1 HD1 sing N N 374 TRP CD2 CE2 doub Y N 375 TRP CD2 CE3 sing Y N 376 TRP NE1 CE2 sing Y N 377 TRP NE1 HE1 sing N N 378 TRP CE2 CZ2 sing Y N 379 TRP CE3 CZ3 doub Y N 380 TRP CE3 HE3 sing N N 381 TRP CZ2 CH2 doub Y N 382 TRP CZ2 HZ2 sing N N 383 TRP CZ3 CH2 sing Y N 384 TRP CZ3 HZ3 sing N N 385 TRP CH2 HH2 sing N N 386 TRP OXT HXT sing N N 387 TYR N CA sing N N 388 TYR N H sing N N 389 TYR N H2 sing N N 390 TYR CA C sing N N 391 TYR CA CB sing N N 392 TYR CA HA sing N N 393 TYR C O doub N N 394 TYR C OXT sing N N 395 TYR CB CG sing N N 396 TYR CB HB2 sing N N 397 TYR CB HB3 sing N N 398 TYR CG CD1 doub Y N 399 TYR CG CD2 sing Y N 400 TYR CD1 CE1 sing Y N 401 TYR CD1 HD1 sing N N 402 TYR CD2 CE2 doub Y N 403 TYR CD2 HD2 sing N N 404 TYR CE1 CZ doub Y N 405 TYR CE1 HE1 sing N N 406 TYR CE2 CZ sing Y N 407 TYR CE2 HE2 sing N N 408 TYR CZ OH sing N N 409 TYR OH HH sing N N 410 TYR OXT HXT sing N N 411 VAL N CA sing N N 412 VAL N H sing N N 413 VAL N H2 sing N N 414 VAL CA C sing N N 415 VAL CA CB sing N N 416 VAL CA HA sing N N 417 VAL C O doub N N 418 VAL C OXT sing N N 419 VAL CB CG1 sing N N 420 VAL CB CG2 sing N N 421 VAL CB HB sing N N 422 VAL CG1 HG11 sing N N 423 VAL CG1 HG12 sing N N 424 VAL CG1 HG13 sing N N 425 VAL CG2 HG21 sing N N 426 VAL CG2 HG22 sing N N 427 VAL CG2 HG23 sing N N 428 VAL OXT HXT sing N N 429 # _pdbx_initial_refinement_model.id 1 _pdbx_initial_refinement_model.entity_id_list ? _pdbx_initial_refinement_model.type 'experimental model' _pdbx_initial_refinement_model.source_name PDB _pdbx_initial_refinement_model.accession_code 2NZ8 _pdbx_initial_refinement_model.details ? # _atom_sites.entry_id 5O33 _atom_sites.fract_transf_matrix[1][1] 0.015809 _atom_sites.fract_transf_matrix[1][2] 0.009127 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.018255 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.002884 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C H N O P S # 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.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? 5.825 -12.222 -3.663 1.00 89.47 ? 1 MET A N 1 ATOM 2 C CA . MET A 1 1 ? 6.418 -12.389 -2.341 1.00 88.56 ? 1 MET A CA 1 ATOM 3 C C . MET A 1 1 ? 5.788 -13.568 -1.606 1.00 86.30 ? 1 MET A C 1 ATOM 4 O O . MET A 1 1 ? 4.565 -13.719 -1.591 1.00 86.96 ? 1 MET A O 1 ATOM 5 C CB . MET A 1 1 ? 6.255 -11.111 -1.512 1.00 87.23 ? 1 MET A CB 1 ATOM 6 C CG . MET A 1 1 ? 7.266 -10.963 -0.380 1.00 85.95 ? 1 MET A CG 1 ATOM 7 S SD . MET A 1 1 ? 6.808 -9.674 0.799 1.00 82.46 ? 1 MET A SD 1 ATOM 8 C CE . MET A 1 1 ? 8.415 -9.004 1.218 1.00 72.08 ? 1 MET A CE 1 ATOM 9 N N . GLN A 1 2 ? 6.629 -14.401 -0.998 1.00 84.71 ? 2 GLN A N 1 ATOM 10 C CA . GLN A 1 2 ? 6.151 -15.529 -0.206 1.00 77.69 ? 2 GLN A CA 1 ATOM 11 C C . GLN A 1 2 ? 5.279 -15.048 0.961 1.00 69.24 ? 2 GLN A C 1 ATOM 12 O O . GLN A 1 2 ? 5.686 -14.178 1.733 1.00 66.58 ? 2 GLN A O 1 ATOM 13 C CB . GLN A 1 2 ? 7.331 -16.357 0.317 1.00 74.58 ? 2 GLN A CB 1 ATOM 14 N N . ALA A 1 3 ? 4.078 -15.614 1.067 1.00 62.20 ? 3 ALA A N 1 ATOM 15 C CA . ALA A 1 3 ? 3.145 -15.299 2.152 1.00 50.62 ? 3 ALA A CA 1 ATOM 16 C C . ALA A 1 3 ? 3.044 -16.464 3.139 1.00 47.89 ? 3 ALA A C 1 ATOM 17 O O . ALA A 1 3 ? 2.981 -17.629 2.736 1.00 52.13 ? 3 ALA A O 1 ATOM 18 C CB . ALA A 1 3 ? 1.769 -14.961 1.581 1.00 45.27 ? 3 ALA A CB 1 ATOM 19 N N . ILE A 1 4 ? 3.023 -16.157 4.432 1.00 41.06 ? 4 ILE A N 1 ATOM 20 C CA . ILE A 1 4 ? 3.038 -17.212 5.443 1.00 43.47 ? 4 ILE A CA 1 ATOM 21 C C . ILE A 1 4 ? 1.942 -17.000 6.481 1.00 43.94 ? 4 ILE A C 1 ATOM 22 O O . ILE A 1 4 ? 1.859 -15.942 7.087 1.00 45.74 ? 4 ILE A O 1 ATOM 23 C CB . ILE A 1 4 ? 4.410 -17.290 6.152 1.00 42.03 ? 4 ILE A CB 1 ATOM 24 C CG1 . ILE A 1 4 ? 5.523 -17.497 5.121 1.00 45.69 ? 4 ILE A CG1 1 ATOM 25 C CG2 . ILE A 1 4 ? 4.424 -18.409 7.192 1.00 37.90 ? 4 ILE A CG2 1 ATOM 26 C CD1 . ILE A 1 4 ? 6.920 -17.412 5.696 1.00 53.60 ? 4 ILE A CD1 1 ATOM 27 N N . LYS A 1 5 ? 1.093 -18.008 6.657 1.00 36.92 ? 5 LYS A N 1 ATOM 28 C CA . LYS A 1 5 ? 0.057 -17.966 7.684 1.00 33.72 ? 5 LYS A CA 1 ATOM 29 C C . LYS A 1 5 ? 0.533 -18.739 8.910 1.00 31.15 ? 5 LYS A C 1 ATOM 30 O O . LYS A 1 5 ? 0.812 -19.940 8.819 1.00 30.84 ? 5 LYS A O 1 ATOM 31 C CB . LYS A 1 5 ? -1.257 -18.554 7.166 1.00 37.26 ? 5 LYS A CB 1 ATOM 32 C CG . LYS A 1 5 ? -2.374 -18.662 8.217 1.00 36.30 ? 5 LYS A CG 1 ATOM 33 C CD . LYS A 1 5 ? -3.621 -19.346 7.638 1.00 39.57 ? 5 LYS A CD 1 ATOM 34 C CE . LYS A 1 5 ? -4.735 -19.522 8.685 1.00 34.51 ? 5 LYS A CE 1 ATOM 35 N NZ . LYS A 1 5 ? -5.979 -20.145 8.101 1.00 37.59 ? 5 LYS A NZ 1 ATOM 36 N N . CYS A 1 6 ? 0.630 -18.047 10.049 1.00 29.62 ? 6 CYS A N 1 ATOM 37 C CA . CYS A 1 6 ? 1.076 -18.669 11.303 1.00 32.25 ? 6 CYS A CA 1 ATOM 38 C C . CYS A 1 6 ? -0.016 -18.528 12.359 1.00 30.77 ? 6 CYS A C 1 ATOM 39 O O . CYS A 1 6 ? -0.493 -17.424 12.628 1.00 30.53 ? 6 CYS A O 1 ATOM 40 C CB . CYS A 1 6 ? 2.376 -18.024 11.781 1.00 27.36 ? 6 CYS A CB 1 ATOM 41 S SG . CYS A 1 6 ? 2.969 -18.524 13.449 1.00 32.43 ? 6 CYS A SG 1 ATOM 42 N N . VAL A 1 7 ? -0.447 -19.651 12.918 1.00 29.51 ? 7 VAL A N 1 ATOM 43 C CA . VAL A 1 7 ? -1.507 -19.651 13.922 1.00 29.56 ? 7 VAL A CA 1 ATOM 44 C C . VAL A 1 7 ? -0.938 -20.047 15.283 1.00 28.56 ? 7 VAL A C 1 ATOM 45 O O . VAL A 1 7 ? -0.168 -21.003 15.384 1.00 28.04 ? 7 VAL A O 1 ATOM 46 C CB . VAL A 1 7 ? -2.653 -20.614 13.538 1.00 33.08 ? 7 VAL A CB 1 ATOM 47 C CG1 . VAL A 1 7 ? -3.694 -20.663 14.637 1.00 31.73 ? 7 VAL A CG1 1 ATOM 48 C CG2 . VAL A 1 7 ? -3.309 -20.191 12.208 1.00 33.32 ? 7 VAL A CG2 1 ATOM 49 N N . VAL A 1 8 ? -1.325 -19.307 16.318 1.00 24.18 ? 8 VAL A N 1 ATOM 50 C CA . VAL A 1 8 ? -0.818 -19.504 17.679 1.00 25.89 ? 8 VAL A CA 1 ATOM 51 C C . VAL A 1 8 ? -1.890 -20.162 18.557 1.00 27.12 ? 8 VAL A C 1 ATOM 52 O O . VAL A 1 8 ? -2.959 -19.571 18.760 1.00 25.16 ? 8 VAL A O 1 ATOM 53 C CB . VAL A 1 8 ? -0.389 -18.155 18.336 1.00 31.14 ? 8 VAL A CB 1 ATOM 54 C CG1 . VAL A 1 8 ? 0.206 -18.394 19.735 1.00 28.67 ? 8 VAL A CG1 1 ATOM 55 C CG2 . VAL A 1 8 ? 0.610 -17.416 17.453 1.00 29.72 ? 8 VAL A CG2 1 ATOM 56 N N . VAL A 1 9 ? -1.596 -21.357 19.071 1.00 24.81 ? 9 VAL A N 1 ATOM 57 C CA . VAL A 1 9 ? -2.546 -22.113 19.908 1.00 26.86 ? 9 VAL A CA 1 ATOM 58 C C . VAL A 1 9 ? -1.964 -22.469 21.285 1.00 30.30 ? 9 VAL A C 1 ATOM 59 O O . VAL A 1 9 ? -0.748 -22.380 21.501 1.00 23.87 ? 9 VAL A O 1 ATOM 60 C CB . VAL A 1 9 ? -2.993 -23.423 19.218 1.00 26.29 ? 9 VAL A CB 1 ATOM 61 C CG1 . VAL A 1 9 ? -3.474 -23.142 17.771 1.00 31.99 ? 9 VAL A CG1 1 ATOM 62 C CG2 . VAL A 1 9 ? -1.879 -24.434 19.221 1.00 27.15 ? 9 VAL A CG2 1 ATOM 63 N N . GLY A 1 10 ? -2.831 -22.891 22.205 1.00 27.06 ? 10 GLY A N 1 ATOM 64 C CA . GLY A 1 10 ? -2.399 -23.256 23.557 1.00 25.99 ? 10 GLY A CA 1 ATOM 65 C C . GLY A 1 10 ? -3.402 -22.809 24.617 1.00 24.83 ? 10 GLY A C 1 ATOM 66 O O . GLY A 1 10 ? -4.279 -21.997 24.327 1.00 27.07 ? 10 GLY A O 1 ATOM 67 N N . ASP A 1 11 ? -3.276 -23.337 25.839 1.00 26.31 ? 11 ASP A N 1 ATOM 68 C CA . ASP A 1 11 ? -4.204 -23.027 26.943 1.00 29.34 ? 11 ASP A CA 1 ATOM 69 C C . ASP A 1 11 ? -4.401 -21.532 27.221 1.00 33.91 ? 11 ASP A C 1 ATOM 70 O O . ASP A 1 11 ? -3.541 -20.698 26.919 1.00 26.47 ? 11 ASP A O 1 ATOM 71 C CB . ASP A 1 11 ? -3.724 -23.675 28.258 1.00 28.00 ? 11 ASP A CB 1 ATOM 72 C CG . ASP A 1 11 ? -3.973 -25.178 28.324 1.00 30.82 ? 11 ASP A CG 1 ATOM 73 O OD1 . ASP A 1 11 ? -4.447 -25.784 27.343 1.00 28.73 ? 11 ASP A OD1 1 ATOM 74 O OD2 . ASP A 1 11 ? -3.653 -25.758 29.378 1.00 29.32 ? 11 ASP A OD2 1 ATOM 75 N N . GLY A 1 12 ? -5.532 -21.201 27.835 1.00 29.40 ? 12 GLY A N 1 ATOM 76 C CA . GLY A 1 12 ? -5.752 -19.836 28.274 1.00 27.48 ? 12 GLY A CA 1 ATOM 77 C C . GLY A 1 12 ? -4.656 -19.390 29.223 1.00 30.41 ? 12 GLY A C 1 ATOM 78 O O . GLY A 1 12 ? -4.182 -20.167 30.070 1.00 34.42 ? 12 GLY A O 1 ATOM 79 N N . ALA A 1 13 ? -4.226 -18.143 29.056 1.00 30.46 ? 13 ALA A N 1 ATOM 80 C CA . ALA A 1 13 ? -3.326 -17.500 30.005 1.00 36.56 ? 13 ALA A CA 1 ATOM 81 C C . ALA A 1 13 ? -1.907 -18.080 29.974 1.00 40.87 ? 13 ALA A C 1 ATOM 82 O O . ALA A 1 13 ? -1.121 -17.821 30.882 1.00 36.61 ? 13 ALA A O 1 ATOM 83 C CB . ALA A 1 13 ? -3.900 -17.581 31.419 1.00 46.44 ? 13 ALA A CB 1 ATOM 84 N N . VAL A 1 14 ? -1.559 -18.841 28.932 1.00 38.53 ? 14 VAL A N 1 ATOM 85 C CA . VAL A 1 14 ? -0.147 -19.164 28.735 1.00 36.78 ? 14 VAL A CA 1 ATOM 86 C C . VAL A 1 14 ? 0.549 -17.932 28.124 1.00 35.00 ? 14 VAL A C 1 ATOM 87 O O . VAL A 1 14 ? 1.776 -17.864 28.065 1.00 35.75 ? 14 VAL A O 1 ATOM 88 C CB . VAL A 1 14 ? 0.071 -20.421 27.861 1.00 37.38 ? 14 VAL A CB 1 ATOM 89 C CG1 . VAL A 1 14 ? -0.723 -21.597 28.437 1.00 37.56 ? 14 VAL A CG1 1 ATOM 90 C CG2 . VAL A 1 14 ? -0.277 -20.174 26.384 1.00 28.29 ? 14 VAL A CG2 1 ATOM 91 N N . GLY A 1 15 ? -0.246 -16.935 27.734 1.00 28.76 ? 15 GLY A N 1 ATOM 92 C CA . GLY A 1 15 ? 0.300 -15.683 27.240 1.00 35.30 ? 15 GLY A CA 1 ATOM 93 C C . GLY A 1 15 ? 0.362 -15.576 25.721 1.00 35.50 ? 15 GLY A C 1 ATOM 94 O O . GLY A 1 15 ? 1.306 -14.982 25.184 1.00 33.34 ? 15 GLY A O 1 ATOM 95 N N . LYS A 1 16 ? -0.624 -16.152 25.029 1.00 29.81 ? 16 LYS A N 1 ATOM 96 C CA . LYS A 1 16 ? -0.666 -16.076 23.568 1.00 29.56 ? 16 LYS A CA 1 ATOM 97 C C . LYS A 1 16 ? -0.743 -14.619 23.104 1.00 32.39 ? 16 LYS A C 1 ATOM 98 O O . LYS A 1 16 ? 0.050 -14.178 22.263 1.00 30.76 ? 16 LYS A O 1 ATOM 99 C CB . LYS A 1 16 ? -1.862 -16.870 22.998 1.00 27.67 ? 16 LYS A CB 1 ATOM 100 C CG . LYS A 1 16 ? -1.783 -18.389 23.214 1.00 25.90 ? 16 LYS A CG 1 ATOM 101 C CD . LYS A 1 16 ? -2.985 -19.135 22.616 1.00 28.52 ? 16 LYS A CD 1 ATOM 102 C CE . LYS A 1 16 ? -4.341 -18.692 23.206 1.00 29.39 ? 16 LYS A CE 1 ATOM 103 N NZ . LYS A 1 16 ? -4.479 -19.219 24.604 1.00 34.60 ? 16 LYS A NZ 1 ATOM 104 N N . THR A 1 17 ? -1.708 -13.886 23.647 1.00 29.89 ? 17 THR A N 1 ATOM 105 C CA . THR A 1 17 ? -1.978 -12.520 23.202 1.00 30.96 ? 17 THR A CA 1 ATOM 106 C C . THR A 1 17 ? -0.782 -11.612 23.551 1.00 31.68 ? 17 THR A C 1 ATOM 107 O O . THR A 1 17 ? -0.357 -10.784 22.740 1.00 30.30 ? 17 THR A O 1 ATOM 108 C CB . THR A 1 17 ? -3.311 -11.980 23.812 1.00 32.22 ? 17 THR A CB 1 ATOM 109 O OG1 . THR A 1 17 ? -4.405 -12.844 23.444 1.00 29.98 ? 17 THR A OG1 1 ATOM 110 C CG2 . THR A 1 17 ? -3.619 -10.572 23.297 1.00 31.34 ? 17 THR A CG2 1 ATOM 111 N N . CYS A 1 18 ? -0.211 -11.795 24.740 1.00 37.67 ? 18 CYS A N 1 ATOM 112 C CA . CYS A 1 18 ? 0.980 -11.036 25.141 1.00 36.79 ? 18 CYS A CA 1 ATOM 113 C C . CYS A 1 18 ? 2.181 -11.277 24.261 1.00 37.98 ? 18 CYS A C 1 ATOM 114 O O . CYS A 1 18 ? 2.916 -10.342 23.917 1.00 37.53 ? 18 CYS A O 1 ATOM 115 C CB . CYS A 1 18 ? 1.381 -11.369 26.583 1.00 35.16 ? 18 CYS A CB 1 ATOM 116 S SG . CYS A 1 18 ? 0.909 -10.067 27.651 1.00 39.96 ? 18 CYS A SG 1 ATOM 117 N N . LEU A 1 19 ? 2.398 -12.546 23.937 1.00 32.42 ? 19 LEU A N 1 ATOM 118 C CA . LEU A 1 19 ? 3.464 -12.944 23.035 1.00 33.39 ? 19 LEU A CA 1 ATOM 119 C C . LEU A 1 19 ? 3.372 -12.173 21.718 1.00 33.96 ? 19 LEU A C 1 ATOM 120 O O . LEU A 1 19 ? 4.357 -11.588 21.257 1.00 31.90 ? 19 LEU A O 1 ATOM 121 C CB . LEU A 1 19 ? 3.399 -14.455 22.780 1.00 34.86 ? 19 LEU A CB 1 ATOM 122 C CG . LEU A 1 19 ? 4.354 -14.983 21.706 1.00 41.51 ? 19 LEU A CG 1 ATOM 123 C CD1 . LEU A 1 19 ? 5.716 -15.312 22.312 1.00 49.42 ? 19 LEU A CD1 1 ATOM 124 C CD2 . LEU A 1 19 ? 3.766 -16.186 20.989 1.00 47.34 ? 19 LEU A CD2 1 ATOM 125 N N . LEU A 1 20 ? 2.174 -12.160 21.133 1.00 33.39 ? 20 LEU A N 1 ATOM 126 C CA . LEU A 1 20 ? 1.929 -11.518 19.844 1.00 33.84 ? 20 LEU A CA 1 ATOM 127 C C . LEU A 1 20 ? 2.068 -9.996 19.912 1.00 31.18 ? 20 LEU A C 1 ATOM 128 O O . LEU A 1 20 ? 2.690 -9.396 19.047 1.00 31.78 ? 20 LEU A O 1 ATOM 129 C CB . LEU A 1 20 ? 0.539 -11.904 19.319 1.00 28.77 ? 20 LEU A CB 1 ATOM 130 C CG . LEU A 1 20 ? 0.505 -13.384 18.926 1.00 27.89 ? 20 LEU A CG 1 ATOM 131 C CD1 . LEU A 1 20 ? -0.917 -13.893 18.759 1.00 28.42 ? 20 LEU A CD1 1 ATOM 132 C CD2 . LEU A 1 20 ? 1.283 -13.573 17.614 1.00 30.44 ? 20 LEU A CD2 1 ATOM 133 N N . ILE A 1 21 ? 1.494 -9.371 20.941 1.00 29.92 ? 21 ILE A N 1 ATOM 134 C CA . ILE A 1 21 ? 1.616 -7.922 21.122 1.00 33.72 ? 21 ILE A CA 1 ATOM 135 C C . ILE A 1 21 ? 3.072 -7.489 21.357 1.00 29.07 ? 21 ILE A C 1 ATOM 136 O O . ILE A 1 21 ? 3.542 -6.477 20.817 1.00 33.64 ? 21 ILE A O 1 ATOM 137 C CB . ILE A 1 21 ? 0.743 -7.448 22.319 1.00 28.35 ? 21 ILE A CB 1 ATOM 138 C CG1 . ILE A 1 21 ? -0.735 -7.664 22.009 1.00 37.25 ? 21 ILE A CG1 1 ATOM 139 C CG2 . ILE A 1 21 ? 1.028 -5.971 22.705 1.00 35.83 ? 21 ILE A CG2 1 ATOM 140 C CD1 . ILE A 1 21 ? -1.638 -7.382 23.195 1.00 40.81 ? 21 ILE A CD1 1 ATOM 141 N N . SER A 1 22 ? 3.781 -8.251 22.178 1.00 30.60 ? 22 SER A N 1 ATOM 142 C CA . SER A 1 22 ? 5.132 -7.888 22.563 1.00 33.11 ? 22 SER A CA 1 ATOM 143 C C . SER A 1 22 ? 6.047 -7.970 21.349 1.00 35.13 ? 22 SER A C 1 ATOM 144 O O . SER A 1 22 ? 6.931 -7.133 21.162 1.00 35.30 ? 22 SER A O 1 ATOM 145 C CB . SER A 1 22 ? 5.629 -8.797 23.699 1.00 35.37 ? 22 SER A CB 1 ATOM 146 O OG . SER A 1 22 ? 6.800 -8.275 24.308 1.00 39.75 ? 22 SER A OG 1 ATOM 147 N N . TYR A 1 23 ? 5.815 -8.971 20.509 1.00 33.74 ? 23 TYR A N 1 ATOM 148 C CA . TYR A 1 23 ? 6.572 -9.120 19.270 1.00 37.98 ? 23 TYR A CA 1 ATOM 149 C C . TYR A 1 23 ? 6.297 -8.012 18.257 1.00 37.90 ? 23 TYR A C 1 ATOM 150 O O . TYR A 1 23 ? 7.226 -7.400 17.732 1.00 37.64 ? 23 TYR A O 1 ATOM 151 C CB . TYR A 1 23 ? 6.278 -10.476 18.631 1.00 39.88 ? 23 TYR A CB 1 ATOM 152 C CG . TYR A 1 23 ? 6.944 -10.669 17.288 1.00 39.05 ? 23 TYR A CG 1 ATOM 153 C CD1 . TYR A 1 23 ? 8.326 -10.754 17.189 1.00 36.08 ? 23 TYR A CD1 1 ATOM 154 C CD2 . TYR A 1 23 ? 6.189 -10.764 16.118 1.00 36.37 ? 23 TYR A CD2 1 ATOM 155 C CE1 . TYR A 1 23 ? 8.941 -10.934 15.966 1.00 39.06 ? 23 TYR A CE1 1 ATOM 156 C CE2 . TYR A 1 23 ? 6.797 -10.945 14.890 1.00 34.98 ? 23 TYR A CE2 1 ATOM 157 C CZ . TYR A 1 23 ? 8.173 -11.030 14.824 1.00 39.34 ? 23 TYR A CZ 1 ATOM 158 O OH . TYR A 1 23 ? 8.793 -11.213 13.613 1.00 43.72 ? 23 TYR A OH 1 ATOM 159 N N . THR A 1 24 ? 5.022 -7.757 17.973 1.00 34.22 ? 24 THR A N 1 ATOM 160 C CA . THR A 1 24 ? 4.657 -6.829 16.901 1.00 32.10 ? 24 THR A CA 1 ATOM 161 C C . THR A 1 24 ? 4.867 -5.362 17.297 1.00 38.20 ? 24 THR A C 1 ATOM 162 O O . THR A 1 24 ? 5.057 -4.518 16.425 1.00 37.92 ? 24 THR A O 1 ATOM 163 C CB . THR A 1 24 ? 3.188 -7.023 16.451 1.00 35.06 ? 24 THR A CB 1 ATOM 164 O OG1 . THR A 1 24 ? 2.311 -6.921 17.582 1.00 36.11 ? 24 THR A OG1 1 ATOM 165 C CG2 . THR A 1 24 ? 2.994 -8.385 15.775 1.00 35.80 ? 24 THR A CG2 1 ATOM 166 N N . THR A 1 25 ? 4.845 -5.053 18.595 1.00 34.21 ? 25 THR A N 1 ATOM 167 C CA . THR A 1 25 ? 5.014 -3.658 19.026 1.00 38.15 ? 25 THR A CA 1 ATOM 168 C C . THR A 1 25 ? 6.368 -3.421 19.679 1.00 41.77 ? 25 THR A C 1 ATOM 169 O O . THR A 1 25 ? 6.701 -2.287 20.029 1.00 37.78 ? 25 THR A O 1 ATOM 170 C CB . THR A 1 25 ? 3.920 -3.209 20.022 1.00 37.21 ? 25 THR A CB 1 ATOM 171 O OG1 . THR A 1 25 ? 4.115 -3.859 21.285 1.00 37.58 ? 25 THR A OG1 1 ATOM 172 C CG2 . THR A 1 25 ? 2.535 -3.517 19.475 1.00 38.24 ? 25 THR A CG2 1 ATOM 173 N N . ASN A 1 26 ? 7.134 -4.494 19.845 1.00 32.09 ? 26 ASN A N 1 ATOM 174 C CA . ASN A 1 26 ? 8.477 -4.422 20.417 1.00 39.78 ? 26 ASN A CA 1 ATOM 175 C C . ASN A 1 26 ? 8.508 -3.978 21.884 1.00 39.03 ? 26 ASN A C 1 ATOM 176 O O . ASN A 1 26 ? 9.515 -3.452 22.358 1.00 35.89 ? 26 ASN A O 1 ATOM 177 C CB . ASN A 1 26 ? 9.351 -3.483 19.579 1.00 44.61 ? 26 ASN A CB 1 ATOM 178 C CG . ASN A 1 26 ? 9.487 -3.951 18.145 1.00 51.72 ? 26 ASN A CG 1 ATOM 179 O OD1 . ASN A 1 26 ? 10.179 -4.930 17.868 1.00 45.68 ? 26 ASN A OD1 1 ATOM 180 N ND2 . ASN A 1 26 ? 8.818 -3.259 17.227 1.00 55.60 ? 26 ASN A ND2 1 ATOM 181 N N . ALA A 1 27 ? 7.415 -4.202 22.603 1.00 35.16 ? 27 ALA A N 1 ATOM 182 C CA . ALA A 1 27 ? 7.375 -3.876 24.026 1.00 32.32 ? 27 ALA A CA 1 ATOM 183 C C . ALA A 1 27 ? 6.260 -4.642 24.734 1.00 32.11 ? 27 ALA A C 1 ATOM 184 O O . ALA A 1 27 ? 5.170 -4.803 24.184 1.00 32.01 ? 27 ALA A O 1 ATOM 185 C CB . ALA A 1 27 ? 7.182 -2.371 24.222 1.00 33.14 ? 27 ALA A CB 1 ATOM 186 N N . PHE A 1 28 ? 6.536 -5.111 25.947 1.00 32.18 ? 28 PHE A N 1 ATOM 187 C CA . PHE A 1 28 ? 5.497 -5.684 26.807 1.00 32.31 ? 28 PHE A CA 1 ATOM 188 C C . PHE A 1 28 ? 4.453 -4.599 27.113 1.00 33.03 ? 28 PHE A C 1 ATOM 189 O O . PHE A 1 28 ? 4.825 -3.460 27.348 1.00 33.63 ? 28 PHE A O 1 ATOM 190 C CB . PHE A 1 28 ? 6.136 -6.239 28.093 1.00 32.53 ? 28 PHE A CB 1 ATOM 191 C CG . PHE A 1 28 ? 5.188 -7.035 28.942 1.00 33.31 ? 28 PHE A CG 1 ATOM 192 C CD1 . PHE A 1 28 ? 4.822 -8.320 28.564 1.00 32.39 ? 28 PHE A CD1 1 ATOM 193 C CD2 . PHE A 1 28 ? 4.642 -6.489 30.099 1.00 33.68 ? 28 PHE A CD2 1 ATOM 194 C CE1 . PHE A 1 28 ? 3.949 -9.062 29.337 1.00 32.82 ? 28 PHE A CE1 1 ATOM 195 C CE2 . PHE A 1 28 ? 3.753 -7.220 30.877 1.00 35.76 ? 28 PHE A CE2 1 ATOM 196 C CZ . PHE A 1 28 ? 3.412 -8.517 30.485 1.00 33.68 ? 28 PHE A CZ 1 ATOM 197 N N . PRO A 1 29 ? 3.146 -4.940 27.098 1.00 33.14 ? 29 PRO A N 1 ATOM 198 C CA . PRO A 1 29 ? 2.113 -3.902 27.295 1.00 34.03 ? 29 PRO A CA 1 ATOM 199 C C . PRO A 1 29 ? 1.803 -3.464 28.750 1.00 40.70 ? 29 PRO A C 1 ATOM 200 O O . PRO A 1 29 ? 0.740 -2.880 28.974 1.00 59.20 ? 29 PRO A O 1 ATOM 201 C CB . PRO A 1 29 ? 0.860 -4.542 26.683 1.00 33.80 ? 29 PRO A CB 1 ATOM 202 C CG . PRO A 1 29 ? 1.078 -6.021 26.847 1.00 35.12 ? 29 PRO A CG 1 ATOM 203 C CD . PRO A 1 29 ? 2.568 -6.229 26.673 1.00 32.58 ? 29 PRO A CD 1 ATOM 204 N N . GLY A 1 30 ? 2.707 -3.718 29.690 1.00 35.22 ? 30 GLY A N 1 ATOM 205 C CA . GLY A 1 30 ? 2.522 -3.457 31.120 1.00 36.38 ? 30 GLY A CA 1 ATOM 206 C C . GLY A 1 30 ? 1.354 -2.657 31.683 1.00 46.64 ? 30 GLY A C 1 ATOM 207 O O . GLY A 1 30 ? 0.740 -3.071 32.673 1.00 40.81 ? 30 GLY A O 1 ATOM 208 N N . GLU A 1 31 ? 1.058 -1.504 31.086 1.00 54.96 ? 31 GLU A N 1 ATOM 209 C CA . GLU A 1 31 ? 0.026 -0.610 31.619 1.00 62.82 ? 31 GLU A CA 1 ATOM 210 C C . GLU A 1 31 ? -1.366 -1.249 31.585 1.00 62.95 ? 31 GLU A C 1 ATOM 211 O O . GLU A 1 31 ? -2.204 -0.986 32.446 1.00 63.77 ? 31 GLU A O 1 ATOM 212 C CB . GLU A 1 31 ? 0.006 0.715 30.845 1.00 69.38 ? 31 GLU A CB 1 ATOM 213 C CG . GLU A 1 31 ? 0.773 1.858 31.504 1.00 77.51 ? 31 GLU A CG 1 ATOM 214 C CD . GLU A 1 31 ? 0.110 2.375 32.774 1.00 91.84 ? 31 GLU A CD 1 ATOM 215 O OE1 . GLU A 1 31 ? 0.785 2.395 33.827 1.00 98.75 ? 31 GLU A OE1 1 ATOM 216 O OE2 . GLU A 1 31 ? -1.077 2.772 32.720 1.00 92.51 ? 31 GLU A OE2 1 ATOM 217 N N . TYR A 1 32 ? -1.601 -2.083 30.581 1.00 49.01 ? 32 TYR A N 1 ATOM 218 C CA . TYR A 1 32 ? -2.884 -2.753 30.403 1.00 46.83 ? 32 TYR A CA 1 ATOM 219 C C . TYR A 1 32 ? -2.698 -3.847 29.388 1.00 42.00 ? 32 TYR A C 1 ATOM 220 O O . TYR A 1 32 ? -2.250 -3.573 28.273 1.00 43.91 ? 32 TYR A O 1 ATOM 221 C CB . TYR A 1 32 ? -3.966 -1.780 29.917 1.00 41.87 ? 32 TYR A CB 1 ATOM 222 C CG . TYR A 1 32 ? -5.229 -2.453 29.386 1.00 40.37 ? 32 TYR A CG 1 ATOM 223 C CD1 . TYR A 1 32 ? -6.080 -3.146 30.238 1.00 45.51 ? 32 TYR A CD1 1 ATOM 224 C CD2 . TYR A 1 32 ? -5.587 -2.369 28.034 1.00 39.21 ? 32 TYR A CD2 1 ATOM 225 C CE1 . TYR A 1 32 ? -7.246 -3.749 29.772 1.00 48.35 ? 32 TYR A CE1 1 ATOM 226 C CE2 . TYR A 1 32 ? -6.745 -2.974 27.558 1.00 39.22 ? 32 TYR A CE2 1 ATOM 227 C CZ . TYR A 1 32 ? -7.573 -3.670 28.432 1.00 48.53 ? 32 TYR A CZ 1 ATOM 228 O OH . TYR A 1 32 ? -8.739 -4.282 27.981 1.00 42.33 ? 32 TYR A OH 1 ATOM 229 N N . ILE A 1 33 ? -3.049 -5.080 29.741 1.00 39.71 ? 33 ILE A N 1 ATOM 230 C CA . ILE A 1 33 ? -2.875 -6.171 28.787 1.00 41.62 ? 33 ILE A CA 1 ATOM 231 C C . ILE A 1 33 ? -4.145 -6.350 27.968 1.00 36.58 ? 33 ILE A C 1 ATOM 232 O O . ILE A 1 33 ? -5.204 -6.711 28.507 1.00 40.17 ? 33 ILE A O 1 ATOM 233 C CB . ILE A 1 33 ? -2.485 -7.469 29.493 1.00 45.38 ? 33 ILE A CB 1 ATOM 234 C CG1 . ILE A 1 33 ? -1.137 -7.272 30.182 1.00 48.09 ? 33 ILE A CG1 1 ATOM 235 C CG2 . ILE A 1 33 ? -2.385 -8.624 28.499 1.00 46.96 ? 33 ILE A CG2 1 ATOM 236 C CD1 . ILE A 1 33 ? -0.667 -8.478 30.827 1.00 46.35 ? 33 ILE A CD1 1 ATOM 237 N N . PRO A 1 34 ? -4.059 -6.048 26.658 1.00 35.16 ? 34 PRO A N 1 ATOM 238 C CA . PRO A 1 34 ? -5.249 -6.104 25.805 1.00 35.30 ? 34 PRO A CA 1 ATOM 239 C C . PRO A 1 34 ? -5.756 -7.536 25.697 1.00 37.63 ? 34 PRO A C 1 ATOM 240 O O . PRO A 1 34 ? -4.967 -8.480 25.805 1.00 37.13 ? 34 PRO A O 1 ATOM 241 C CB . PRO A 1 34 ? -4.747 -5.579 24.444 1.00 37.32 ? 34 PRO A CB 1 ATOM 242 C CG . PRO A 1 34 ? -3.460 -4.837 24.756 1.00 41.05 ? 34 PRO A CG 1 ATOM 243 C CD . PRO A 1 34 ? -2.865 -5.592 25.921 1.00 36.65 ? 34 PRO A CD 1 ATOM 244 N N . THR A 1 35 ? -7.060 -7.679 25.502 1.00 35.53 ? 35 THR A N 1 ATOM 245 C CA . THR A 1 35 ? -7.695 -8.970 25.300 1.00 40.71 ? 35 THR A CA 1 ATOM 246 C C . THR A 1 35 ? -7.697 -9.332 23.812 1.00 39.25 ? 35 THR A C 1 ATOM 247 O O . THR A 1 35 ? -7.690 -10.510 23.456 1.00 35.69 ? 35 THR A O 1 ATOM 248 C CB . THR A 1 35 ? -9.160 -8.964 25.840 1.00 39.01 ? 35 THR A CB 1 ATOM 249 O OG1 . THR A 1 35 ? -9.145 -8.934 27.276 1.00 41.68 ? 35 THR A OG1 1 ATOM 250 C CG2 . THR A 1 35 ? -9.929 -10.183 25.378 1.00 39.53 ? 35 THR A CG2 1 ATOM 251 N N . VAL A 1 36 ? -7.698 -8.323 22.942 1.00 34.45 ? 36 VAL A N 1 ATOM 252 C CA . VAL A 1 36 ? -7.887 -8.576 21.511 1.00 33.95 ? 36 VAL A CA 1 ATOM 253 C C . VAL A 1 36 ? -6.638 -8.292 20.657 1.00 43.98 ? 36 VAL A C 1 ATOM 254 O O . VAL A 1 36 ? -6.094 -7.186 20.689 1.00 34.78 ? 36 VAL A O 1 ATOM 255 C CB . VAL A 1 36 ? -9.046 -7.736 20.946 1.00 34.68 ? 36 VAL A CB 1 ATOM 256 C CG1 . VAL A 1 36 ? -9.257 -8.039 19.439 1.00 34.28 ? 36 VAL A CG1 1 ATOM 257 C CG2 . VAL A 1 36 ? -10.351 -7.965 21.745 1.00 35.68 ? 36 VAL A CG2 1 ATOM 258 N N . PHE A 1 37 ? -6.192 -9.300 19.903 1.00 32.59 ? 37 PHE A N 1 ATOM 259 C CA . PHE A 1 37 ? -5.149 -9.138 18.880 1.00 32.11 ? 37 PHE A CA 1 ATOM 260 C C . PHE A 1 37 ? -5.804 -9.471 17.534 1.00 35.66 ? 37 PHE A C 1 ATOM 261 O O . PHE A 1 37 ? -6.125 -10.634 17.271 1.00 32.18 ? 37 PHE A O 1 ATOM 262 C CB . PHE A 1 37 ? -3.940 -10.060 19.176 1.00 31.63 ? 37 PHE A CB 1 ATOM 263 C CG . PHE A 1 37 ? -2.825 -10.008 18.138 1.00 33.08 ? 37 PHE A CG 1 ATOM 264 C CD1 . PHE A 1 37 ? -1.797 -9.084 18.247 1.00 31.26 ? 37 PHE A CD1 1 ATOM 265 C CD2 . PHE A 1 37 ? -2.798 -10.900 17.077 1.00 31.38 ? 37 PHE A CD2 1 ATOM 266 C CE1 . PHE A 1 37 ? -0.774 -9.026 17.316 1.00 31.21 ? 37 PHE A CE1 1 ATOM 267 C CE2 . PHE A 1 37 ? -1.759 -10.861 16.132 1.00 31.38 ? 37 PHE A CE2 1 ATOM 268 C CZ . PHE A 1 37 ? -0.750 -9.915 16.256 1.00 31.30 ? 37 PHE A CZ 1 ATOM 269 N N . ASP A 1 38 ? -6.043 -8.458 16.699 1.00 32.51 ? 38 ASP A N 1 ATOM 270 C CA . ASP A 1 38 ? -6.648 -8.702 15.377 1.00 32.74 ? 38 ASP A CA 1 ATOM 271 C C . ASP A 1 38 ? -5.619 -9.336 14.424 1.00 32.74 ? 38 ASP A C 1 ATOM 272 O O . ASP A 1 38 ? -4.405 -9.142 14.586 1.00 32.21 ? 38 ASP A O 1 ATOM 273 C CB . ASP A 1 38 ? -7.216 -7.401 14.789 1.00 36.61 ? 38 ASP A CB 1 ATOM 274 C CG . ASP A 1 38 ? -8.561 -7.009 15.400 1.00 45.00 ? 38 ASP A CG 1 ATOM 275 O OD1 . ASP A 1 38 ? -9.289 -7.895 15.898 1.00 48.31 ? 38 ASP A OD1 1 ATOM 276 O OD2 . ASP A 1 38 ? -8.902 -5.809 15.368 1.00 50.66 ? 38 ASP A OD2 1 ATOM 277 N N . ASN A 1 39 ? -6.095 -10.125 13.458 1.00 32.71 ? 39 ASN A N 1 ATOM 278 C CA . ASN A 1 39 ? -5.195 -10.760 12.484 1.00 32.79 ? 39 ASN A CA 1 ATOM 279 C C . ASN A 1 39 ? -4.202 -9.738 11.935 1.00 34.41 ? 39 ASN A C 1 ATOM 280 O O . ASN A 1 39 ? -4.601 -8.638 11.536 1.00 33.82 ? 39 ASN A O 1 ATOM 281 C CB . ASN A 1 39 ? -5.986 -11.392 11.312 1.00 33.34 ? 39 ASN A CB 1 ATOM 282 C CG . ASN A 1 39 ? -6.950 -12.492 11.755 1.00 38.56 ? 39 ASN A CG 1 ATOM 283 O OD1 . ASN A 1 39 ? -6.851 -13.032 12.863 1.00 33.08 ? 39 ASN A OD1 1 ATOM 284 N ND2 . ASN A 1 39 ? -7.883 -12.842 10.869 1.00 33.94 ? 39 ASN A ND2 1 ATOM 285 N N . TYR A 1 40 ? -2.925 -10.107 11.905 1.00 34.84 ? 40 TYR A N 1 ATOM 286 C CA . TYR A 1 40 ? -1.828 -9.195 11.597 1.00 33.29 ? 40 TYR A CA 1 ATOM 287 C C . TYR A 1 40 ? -0.980 -9.646 10.392 1.00 33.62 ? 40 TYR A C 1 ATOM 288 O O . TYR A 1 40 ? -0.762 -10.844 10.194 1.00 33.75 ? 40 TYR A O 1 ATOM 289 C CB . TYR A 1 40 ? -0.956 -9.066 12.854 1.00 35.96 ? 40 TYR A CB 1 ATOM 290 C CG . TYR A 1 40 ? 0.418 -8.448 12.688 1.00 39.72 ? 40 TYR A CG 1 ATOM 291 C CD1 . TYR A 1 40 ? 1.507 -9.219 12.314 1.00 42.63 ? 40 TYR A CD1 1 ATOM 292 C CD2 . TYR A 1 40 ? 0.634 -7.101 12.971 1.00 44.67 ? 40 TYR A CD2 1 ATOM 293 C CE1 . TYR A 1 40 ? 2.770 -8.663 12.186 1.00 49.27 ? 40 TYR A CE1 1 ATOM 294 C CE2 . TYR A 1 40 ? 1.888 -6.537 12.850 1.00 39.16 ? 40 TYR A CE2 1 ATOM 295 C CZ . TYR A 1 40 ? 2.955 -7.324 12.458 1.00 52.57 ? 40 TYR A CZ 1 ATOM 296 O OH . TYR A 1 40 ? 4.210 -6.771 12.333 1.00 57.99 ? 40 TYR A OH 1 ATOM 297 N N . SER A 1 41 ? -0.506 -8.683 9.594 1.00 34.22 ? 41 SER A N 1 ATOM 298 C CA . SER A 1 41 ? 0.396 -8.954 8.469 1.00 42.46 ? 41 SER A CA 1 ATOM 299 C C . SER A 1 41 ? 1.540 -7.947 8.434 1.00 44.51 ? 41 SER A C 1 ATOM 300 O O . SER A 1 41 ? 1.345 -6.770 8.737 1.00 48.00 ? 41 SER A O 1 ATOM 301 C CB . SER A 1 41 ? -0.357 -8.916 7.131 1.00 44.49 ? 41 SER A CB 1 ATOM 302 O OG . SER A 1 41 ? -1.189 -10.050 6.986 1.00 61.03 ? 41 SER A OG 1 ATOM 303 N N . ALA A 1 42 ? 2.729 -8.403 8.050 1.00 47.54 ? 42 ALA A N 1 ATOM 304 C CA . ALA A 1 42 ? 3.877 -7.505 7.957 1.00 49.75 ? 42 ALA A CA 1 ATOM 305 C C . ALA A 1 42 ? 5.029 -8.110 7.169 1.00 54.87 ? 42 ALA A C 1 ATOM 306 O O . ALA A 1 42 ? 5.357 -9.287 7.334 1.00 55.03 ? 42 ALA A O 1 ATOM 307 C CB . ALA A 1 42 ? 4.349 -7.115 9.341 1.00 50.84 ? 42 ALA A CB 1 ATOM 308 N N . ASN A 1 43 ? 5.646 -7.296 6.315 1.00 62.06 ? 43 ASN A N 1 ATOM 309 C CA . ASN A 1 43 ? 6.866 -7.705 5.626 1.00 70.52 ? 43 ASN A CA 1 ATOM 310 C C . ASN A 1 43 ? 8.026 -7.811 6.605 1.00 70.20 ? 43 ASN A C 1 ATOM 311 O O . ASN A 1 43 ? 8.241 -6.919 7.427 1.00 71.25 ? 43 ASN A O 1 ATOM 312 C CB . ASN A 1 43 ? 7.223 -6.725 4.505 1.00 74.20 ? 43 ASN A CB 1 ATOM 313 C CG . ASN A 1 43 ? 6.204 -6.725 3.381 1.00 78.34 ? 43 ASN A CG 1 ATOM 314 O OD1 . ASN A 1 43 ? 5.473 -7.696 3.185 1.00 74.35 ? 43 ASN A OD1 1 ATOM 315 N ND2 . ASN A 1 43 ? 6.156 -5.631 2.631 1.00 85.33 ? 43 ASN A ND2 1 ATOM 316 N N . VAL A 1 44 ? 8.765 -8.911 6.517 1.00 67.25 ? 44 VAL A N 1 ATOM 317 C CA . VAL A 1 44 ? 9.918 -9.127 7.377 1.00 68.95 ? 44 VAL A CA 1 ATOM 318 C C . VAL A 1 44 ? 11.053 -9.784 6.598 1.00 71.37 ? 44 VAL A C 1 ATOM 319 O O . VAL A 1 44 ? 10.817 -10.582 5.687 1.00 70.04 ? 44 VAL A O 1 ATOM 320 C CB . VAL A 1 44 ? 9.561 -9.994 8.593 1.00 66.78 ? 44 VAL A CB 1 ATOM 321 C CG1 . VAL A 1 44 ? 8.557 -9.266 9.482 1.00 68.59 ? 44 VAL A CG1 1 ATOM 322 C CG2 . VAL A 1 44 ? 9.008 -11.331 8.142 1.00 64.86 ? 44 VAL A CG2 1 ATOM 323 N N . MET A 1 45 ? 12.283 -9.435 6.957 1.00 71.45 ? 45 MET A N 1 ATOM 324 C CA . MET A 1 45 ? 13.458 -9.960 6.274 1.00 69.89 ? 45 MET A CA 1 ATOM 325 C C . MET A 1 45 ? 14.126 -11.055 7.096 1.00 72.86 ? 45 MET A C 1 ATOM 326 O O . MET A 1 45 ? 14.475 -10.848 8.257 1.00 72.92 ? 45 MET A O 1 ATOM 327 C CB . MET A 1 45 ? 14.455 -8.837 5.985 1.00 71.53 ? 45 MET A CB 1 ATOM 328 N N . VAL A 1 46 ? 14.296 -12.223 6.488 1.00 74.60 ? 46 VAL A N 1 ATOM 329 C CA . VAL A 1 46 ? 14.952 -13.336 7.156 1.00 80.76 ? 46 VAL A CA 1 ATOM 330 C C . VAL A 1 46 ? 15.947 -14.013 6.215 1.00 85.92 ? 46 VAL A C 1 ATOM 331 O O . VAL A 1 46 ? 15.563 -14.595 5.198 1.00 86.50 ? 46 VAL A O 1 ATOM 332 C CB . VAL A 1 46 ? 13.923 -14.365 7.679 1.00 84.53 ? 46 VAL A CB 1 ATOM 333 C CG1 . VAL A 1 46 ? 12.953 -14.765 6.576 1.00 91.20 ? 46 VAL A CG1 1 ATOM 334 C CG2 . VAL A 1 46 ? 14.625 -15.584 8.264 1.00 82.30 ? 46 VAL A CG2 1 ATOM 335 N N . ASP A 1 47 ? 17.229 -13.912 6.561 1.00 91.48 ? 47 ASP A N 1 ATOM 336 C CA . ASP A 1 47 ? 18.324 -14.486 5.774 1.00 92.25 ? 47 ASP A CA 1 ATOM 337 C C . ASP A 1 47 ? 18.340 -13.993 4.328 1.00 86.28 ? 47 ASP A C 1 ATOM 338 O O . ASP A 1 47 ? 18.488 -14.787 3.401 1.00 77.50 ? 47 ASP A O 1 ATOM 339 C CB . ASP A 1 47 ? 18.255 -16.017 5.791 1.00 95.44 ? 47 ASP A CB 1 ATOM 340 C CG . ASP A 1 47 ? 18.352 -16.591 7.194 1.00 94.48 ? 47 ASP A CG 1 ATOM 341 O OD1 . ASP A 1 47 ? 18.839 -15.877 8.096 1.00 96.92 ? 47 ASP A OD1 1 ATOM 342 O OD2 . ASP A 1 47 ? 17.943 -17.754 7.398 1.00 87.52 ? 47 ASP A OD2 1 ATOM 343 N N . GLY A 1 48 ? 18.190 -12.684 4.144 1.00 90.41 ? 48 GLY A N 1 ATOM 344 C CA . GLY A 1 48 ? 18.221 -12.084 2.821 1.00 94.59 ? 48 GLY A CA 1 ATOM 345 C C . GLY A 1 48 ? 16.952 -12.313 2.023 1.00 97.68 ? 48 GLY A C 1 ATOM 346 O O . GLY A 1 48 ? 16.829 -11.857 0.886 1.00 99.35 ? 48 GLY A O 1 ATOM 347 N N . LYS A 1 49 ? 16.001 -13.021 2.623 1.00 98.44 ? 49 LYS A N 1 ATOM 348 C CA . LYS A 1 49 ? 14.751 -13.343 1.949 1.00 96.02 ? 49 LYS A CA 1 ATOM 349 C C . LYS A 1 49 ? 13.602 -12.494 2.473 1.00 90.25 ? 49 LYS A C 1 ATOM 350 O O . LYS A 1 49 ? 13.359 -12.445 3.680 1.00 85.96 ? 49 LYS A O 1 ATOM 351 C CB . LYS A 1 49 ? 14.423 -14.828 2.117 1.00 95.94 ? 49 LYS A CB 1 ATOM 352 N N . PRO A 1 50 ? 12.893 -11.815 1.560 1.00 87.29 ? 50 PRO A N 1 ATOM 353 C CA . PRO A 1 50 ? 11.698 -11.029 1.880 1.00 75.24 ? 50 PRO A CA 1 ATOM 354 C C . PRO A 1 50 ? 10.474 -11.926 2.020 1.00 68.97 ? 50 PRO A C 1 ATOM 355 O O . PRO A 1 50 ? 10.243 -12.772 1.155 1.00 70.96 ? 50 PRO A O 1 ATOM 356 C CB . PRO A 1 50 ? 11.564 -10.101 0.673 1.00 76.13 ? 50 PRO A CB 1 ATOM 357 C CG . PRO A 1 50 ? 12.102 -10.916 -0.456 1.00 80.69 ? 50 PRO A CG 1 ATOM 358 C CD . PRO A 1 50 ? 13.232 -11.739 0.127 1.00 86.94 ? 50 PRO A CD 1 ATOM 359 N N . VAL A 1 51 ? 9.699 -11.749 3.086 1.00 68.01 ? 51 VAL A N 1 ATOM 360 C CA . VAL A 1 51 ? 8.524 -12.585 3.294 1.00 59.41 ? 51 VAL A CA 1 ATOM 361 C C . VAL A 1 51 ? 7.381 -11.783 3.923 1.00 57.52 ? 51 VAL A C 1 ATOM 362 O O . VAL A 1 51 ? 7.614 -10.811 4.638 1.00 50.93 ? 51 VAL A O 1 ATOM 363 C CB . VAL A 1 51 ? 8.871 -13.812 4.175 1.00 68.12 ? 51 VAL A CB 1 ATOM 364 C CG1 . VAL A 1 51 ? 8.415 -13.603 5.613 1.00 61.87 ? 51 VAL A CG1 1 ATOM 365 C CG2 . VAL A 1 51 ? 8.269 -15.079 3.588 1.00 71.85 ? 51 VAL A CG2 1 ATOM 366 N N . ASN A 1 52 ? 6.142 -12.165 3.633 1.00 51.34 ? 52 ASN A N 1 ATOM 367 C CA . ASN A 1 52 ? 5.017 -11.568 4.344 1.00 49.85 ? 52 ASN A CA 1 ATOM 368 C C . ASN A 1 52 ? 4.449 -12.518 5.395 1.00 46.76 ? 52 ASN A C 1 ATOM 369 O O . ASN A 1 52 ? 3.835 -13.535 5.057 1.00 47.31 ? 52 ASN A O 1 ATOM 370 C CB . ASN A 1 52 ? 3.915 -11.157 3.378 1.00 57.87 ? 52 ASN A CB 1 ATOM 371 C CG . ASN A 1 52 ? 2.778 -10.432 4.076 1.00 68.36 ? 52 ASN A CG 1 ATOM 372 O OD1 . ASN A 1 52 ? 1.804 -11.048 4.510 1.00 74.09 ? 52 ASN A OD1 1 ATOM 373 N ND2 . ASN A 1 52 ? 2.902 -9.117 4.197 1.00 69.73 ? 52 ASN A ND2 1 ATOM 374 N N . LEU A 1 53 ? 4.643 -12.161 6.665 1.00 41.51 ? 53 LEU A N 1 ATOM 375 C CA . LEU A 1 53 ? 4.269 -13.013 7.800 1.00 36.74 ? 53 LEU A CA 1 ATOM 376 C C . LEU A 1 53 ? 2.908 -12.629 8.365 1.00 41.19 ? 53 LEU A C 1 ATOM 377 O O . LEU A 1 53 ? 2.726 -11.514 8.850 1.00 50.37 ? 53 LEU A O 1 ATOM 378 C CB . LEU A 1 53 ? 5.323 -12.928 8.910 1.00 40.44 ? 53 LEU A CB 1 ATOM 379 C CG . LEU A 1 53 ? 5.036 -13.693 10.208 1.00 37.20 ? 53 LEU A CG 1 ATOM 380 C CD1 . LEU A 1 53 ? 5.079 -15.199 9.970 1.00 41.05 ? 53 LEU A CD1 1 ATOM 381 C CD2 . LEU A 1 53 ? 6.027 -13.299 11.290 1.00 44.54 ? 53 LEU A CD2 1 ATOM 382 N N . GLY A 1 54 ? 1.956 -13.556 8.300 1.00 37.69 ? 54 GLY A N 1 ATOM 383 C CA . GLY A 1 54 ? 0.630 -13.335 8.861 1.00 37.28 ? 54 GLY A CA 1 ATOM 384 C C . GLY A 1 54 ? 0.480 -14.058 10.188 1.00 40.11 ? 54 GLY A C 1 ATOM 385 O O . GLY A 1 54 ? 0.905 -15.201 10.318 1.00 39.34 ? 54 GLY A O 1 ATOM 386 N N . LEU A 1 55 ? -0.118 -13.394 11.174 1.00 35.64 ? 55 LEU A N 1 ATOM 387 C CA . LEU A 1 55 ? -0.244 -13.955 12.527 1.00 36.22 ? 55 LEU A CA 1 ATOM 388 C C . LEU A 1 55 ? -1.697 -13.940 12.995 1.00 33.37 ? 55 LEU A C 1 ATOM 389 O O . LEU A 1 55 ? -2.334 -12.880 12.998 1.00 31.70 ? 55 LEU A O 1 ATOM 390 C CB . LEU A 1 55 ? 0.632 -13.169 13.520 1.00 31.30 ? 55 LEU A CB 1 ATOM 391 C CG . LEU A 1 55 ? 2.147 -13.266 13.268 1.00 35.28 ? 55 LEU A CG 1 ATOM 392 C CD1 . LEU A 1 55 ? 2.931 -12.269 14.105 1.00 39.91 ? 55 LEU A CD1 1 ATOM 393 C CD2 . LEU A 1 55 ? 2.637 -14.678 13.517 1.00 33.72 ? 55 LEU A CD2 1 ATOM 394 N N . TRP A 1 56 ? -2.221 -15.106 13.385 1.00 28.98 ? 56 TRP A N 1 ATOM 395 C CA . TRP A 1 56 ? -3.586 -15.189 13.935 1.00 29.23 ? 56 TRP A CA 1 ATOM 396 C C . TRP A 1 56 ? -3.572 -15.684 15.389 1.00 31.93 ? 56 TRP A C 1 ATOM 397 O O . TRP A 1 56 ? -3.006 -16.731 15.679 1.00 28.75 ? 56 TRP A O 1 ATOM 398 C CB . TRP A 1 56 ? -4.481 -16.143 13.111 1.00 33.53 ? 56 TRP A CB 1 ATOM 399 C CG . TRP A 1 56 ? -4.812 -15.782 11.669 1.00 32.50 ? 56 TRP A CG 1 ATOM 400 C CD1 . TRP A 1 56 ? -4.197 -14.859 10.878 1.00 36.26 ? 56 TRP A CD1 1 ATOM 401 C CD2 . TRP A 1 56 ? -5.845 -16.377 10.866 1.00 37.63 ? 56 TRP A CD2 1 ATOM 402 N NE1 . TRP A 1 56 ? -4.784 -14.842 9.621 1.00 36.85 ? 56 TRP A NE1 1 ATOM 403 C CE2 . TRP A 1 56 ? -5.796 -15.767 9.592 1.00 37.41 ? 56 TRP A CE2 1 ATOM 404 C CE3 . TRP A 1 56 ? -6.802 -17.370 11.103 1.00 33.35 ? 56 TRP A CE3 1 ATOM 405 C CZ2 . TRP A 1 56 ? -6.677 -16.114 8.555 1.00 37.35 ? 56 TRP A CZ2 1 ATOM 406 C CZ3 . TRP A 1 56 ? -7.672 -17.718 10.077 1.00 33.74 ? 56 TRP A CZ3 1 ATOM 407 C CH2 . TRP A 1 56 ? -7.605 -17.087 8.817 1.00 40.14 ? 56 TRP A CH2 1 ATOM 408 N N . ASP A 1 57 ? -4.208 -14.934 16.288 1.00 27.26 ? 57 ASP A N 1 ATOM 409 C CA . ASP A 1 57 ? -4.434 -15.345 17.672 1.00 28.92 ? 57 ASP A CA 1 ATOM 410 C C . ASP A 1 57 ? -5.635 -16.304 17.759 1.00 24.50 ? 57 ASP A C 1 ATOM 411 O O . ASP A 1 57 ? -6.471 -16.346 16.841 1.00 27.75 ? 57 ASP A O 1 ATOM 412 C CB . ASP A 1 57 ? -4.685 -14.097 18.552 1.00 26.26 ? 57 ASP A CB 1 ATOM 413 C CG . ASP A 1 57 ? -4.495 -14.355 20.054 1.00 33.61 ? 57 ASP A CG 1 ATOM 414 O OD1 . ASP A 1 57 ? -4.315 -15.514 20.498 1.00 29.14 ? 57 ASP A OD1 1 ATOM 415 O OD2 . ASP A 1 57 ? -4.554 -13.356 20.807 1.00 29.05 ? 57 ASP A OD2 1 ATOM 416 N N . THR A 1 58 ? -5.721 -17.060 18.863 1.00 25.58 ? 58 THR A N 1 ATOM 417 C CA . THR A 1 58 ? -6.876 -17.927 19.107 1.00 28.44 ? 58 THR A CA 1 ATOM 418 C C . THR A 1 58 ? -7.475 -17.757 20.527 1.00 32.14 ? 58 THR A C 1 ATOM 419 O O . THR A 1 58 ? -8.366 -18.512 20.924 1.00 27.53 ? 58 THR A O 1 ATOM 420 C CB . THR A 1 58 ? -6.511 -19.430 18.912 1.00 24.36 ? 58 THR A CB 1 ATOM 421 O OG1 . THR A 1 58 ? -5.414 -19.743 19.766 1.00 25.87 ? 58 THR A OG1 1 ATOM 422 C CG2 . THR A 1 58 ? -6.109 -19.741 17.452 1.00 26.87 ? 58 THR A CG2 1 ATOM 423 N N . ALA A 1 59 ? -7.000 -16.770 21.292 1.00 28.37 ? 59 ALA A N 1 ATOM 424 C CA . ALA A 1 59 ? -7.518 -16.554 22.652 1.00 27.16 ? 59 ALA A CA 1 ATOM 425 C C . ALA A 1 59 ? -9.042 -16.397 22.664 1.00 28.62 ? 59 ALA A C 1 ATOM 426 O O . ALA A 1 59 ? -9.625 -15.688 21.830 1.00 29.16 ? 59 ALA A O 1 ATOM 427 C CB . ALA A 1 59 ? -6.859 -15.344 23.280 1.00 27.50 ? 59 ALA A CB 1 ATOM 428 N N . GLY A 1 60 ? -9.692 -17.087 23.596 1.00 29.04 ? 60 GLY A N 1 ATOM 429 C CA . GLY A 1 60 ? -11.139 -17.036 23.697 1.00 30.40 ? 60 GLY A CA 1 ATOM 430 C C . GLY A 1 60 ? -11.812 -18.272 23.126 1.00 32.08 ? 60 GLY A C 1 ATOM 431 O O . GLY A 1 60 ? -12.975 -18.565 23.435 1.00 29.33 ? 60 GLY A O 1 ATOM 432 N N . GLN A 1 61 ? -11.092 -19.017 22.292 1.00 30.52 ? 61 GLN A N 1 ATOM 433 C CA . GLN A 1 61 ? -11.688 -20.202 21.674 1.00 31.73 ? 61 GLN A CA 1 ATOM 434 C C . GLN A 1 61 ? -11.336 -21.512 22.399 1.00 34.40 ? 61 GLN A C 1 ATOM 435 O O . GLN A 1 61 ? -11.754 -22.588 21.965 1.00 33.06 ? 61 GLN A O 1 ATOM 436 C CB . GLN A 1 61 ? -11.265 -20.299 20.204 1.00 31.43 ? 61 GLN A CB 1 ATOM 437 C CG . GLN A 1 61 ? -11.615 -19.067 19.385 1.00 33.31 ? 61 GLN A CG 1 ATOM 438 C CD . GLN A 1 61 ? -10.883 -19.052 18.056 1.00 38.10 ? 61 GLN A CD 1 ATOM 439 O OE1 . GLN A 1 61 ? -10.678 -20.097 17.441 1.00 36.16 ? 61 GLN A OE1 1 ATOM 440 N NE2 . GLN A 1 61 ? -10.458 -17.871 17.625 1.00 34.08 ? 61 GLN A NE2 1 ATOM 441 N N . GLU A 1 62 ? -10.607 -21.426 23.513 1.00 30.55 ? 62 GLU A N 1 ATOM 442 C CA . GLU A 1 62 ? -10.075 -22.628 24.173 1.00 28.74 ? 62 GLU A CA 1 ATOM 443 C C . GLU A 1 62 ? -11.149 -23.637 24.609 1.00 33.44 ? 62 GLU A C 1 ATOM 444 O O . GLU A 1 62 ? -10.868 -24.834 24.722 1.00 34.84 ? 62 GLU A O 1 ATOM 445 C CB . GLU A 1 62 ? -9.222 -22.228 25.389 1.00 33.98 ? 62 GLU A CB 1 ATOM 446 C CG . GLU A 1 62 ? -7.978 -21.400 25.041 1.00 36.23 ? 62 GLU A CG 1 ATOM 447 C CD . GLU A 1 62 ? -8.234 -19.891 25.025 1.00 40.15 ? 62 GLU A CD 1 ATOM 448 O OE1 . GLU A 1 62 ? -9.409 -19.464 25.041 1.00 33.06 ? 62 GLU A OE1 1 ATOM 449 O OE2 . GLU A 1 62 ? -7.247 -19.126 25.005 1.00 30.70 ? 62 GLU A OE2 1 ATOM 450 N N . ASP A 1 63 ? -12.375 -23.179 24.844 1.00 28.86 ? 63 ASP A N 1 ATOM 451 C CA . ASP A 1 63 ? -13.424 -24.096 25.304 1.00 33.10 ? 63 ASP A CA 1 ATOM 452 C C . ASP A 1 63 ? -14.377 -24.599 24.212 1.00 34.40 ? 63 ASP A C 1 ATOM 453 O O . ASP A 1 63 ? -15.360 -25.273 24.523 1.00 40.94 ? 63 ASP A O 1 ATOM 454 C CB . ASP A 1 63 ? -14.258 -23.433 26.405 1.00 37.38 ? 63 ASP A CB 1 ATOM 455 C CG . ASP A 1 63 ? -13.450 -23.145 27.659 1.00 48.23 ? 63 ASP A CG 1 ATOM 456 O OD1 . ASP A 1 63 ? -12.402 -23.789 27.851 1.00 50.69 ? 63 ASP A OD1 1 ATOM 457 O OD2 . ASP A 1 63 ? -13.866 -22.274 28.453 1.00 58.76 ? 63 ASP A OD2 1 ATOM 458 N N . TYR A 1 64 ? -14.094 -24.286 22.950 1.00 34.76 ? 64 TYR A N 1 ATOM 459 C CA . TYR A 1 64 ? -15.021 -24.614 21.854 1.00 33.87 ? 64 TYR A CA 1 ATOM 460 C C . TYR A 1 64 ? -14.324 -25.471 20.798 1.00 33.02 ? 64 TYR A C 1 ATOM 461 O O . TYR A 1 64 ? -13.752 -24.947 19.845 1.00 38.71 ? 64 TYR A O 1 ATOM 462 C CB . TYR A 1 64 ? -15.596 -23.325 21.249 1.00 38.30 ? 64 TYR A CB 1 ATOM 463 C CG . TYR A 1 64 ? -16.186 -22.447 22.330 1.00 37.05 ? 64 TYR A CG 1 ATOM 464 C CD1 . TYR A 1 64 ? -17.335 -22.839 23.000 1.00 34.90 ? 64 TYR A CD1 1 ATOM 465 C CD2 . TYR A 1 64 ? -15.564 -21.272 22.725 1.00 33.39 ? 64 TYR A CD2 1 ATOM 466 C CE1 . TYR A 1 64 ? -17.870 -22.071 24.020 1.00 36.21 ? 64 TYR A CE1 1 ATOM 467 C CE2 . TYR A 1 64 ? -16.100 -20.484 23.750 1.00 34.33 ? 64 TYR A CE2 1 ATOM 468 C CZ . TYR A 1 64 ? -17.254 -20.900 24.392 1.00 35.44 ? 64 TYR A CZ 1 ATOM 469 O OH . TYR A 1 64 ? -17.806 -20.161 25.418 1.00 35.03 ? 64 TYR A OH 1 ATOM 470 N N . ASP A 1 65 ? -14.362 -26.789 20.993 1.00 40.24 ? 65 ASP A N 1 ATOM 471 C CA . ASP A 1 65 ? -13.505 -27.697 20.231 1.00 39.93 ? 65 ASP A CA 1 ATOM 472 C C . ASP A 1 65 ? -13.891 -27.772 18.753 1.00 40.84 ? 65 ASP A C 1 ATOM 473 O O . ASP A 1 65 ? -13.075 -28.170 17.924 1.00 43.82 ? 65 ASP A O 1 ATOM 474 C CB . ASP A 1 65 ? -13.516 -29.100 20.854 1.00 46.00 ? 65 ASP A CB 1 ATOM 475 C CG . ASP A 1 65 ? -14.869 -29.793 20.735 1.00 66.58 ? 65 ASP A CG 1 ATOM 476 O OD1 . ASP A 1 65 ? -15.876 -29.125 20.413 1.00 68.60 ? 65 ASP A OD1 1 ATOM 477 O OD2 . ASP A 1 65 ? -14.927 -31.019 20.977 1.00 73.22 ? 65 ASP A OD2 1 ATOM 478 N N . ARG A 1 66 ? -15.118 -27.382 18.414 1.00 45.78 ? 66 ARG A N 1 ATOM 479 C CA . ARG A 1 66 ? -15.555 -27.459 17.018 1.00 45.01 ? 66 ARG A CA 1 ATOM 480 C C . ARG A 1 66 ? -15.441 -26.116 16.295 1.00 48.61 ? 66 ARG A C 1 ATOM 481 O O . ARG A 1 66 ? -15.554 -26.057 15.063 1.00 47.39 ? 66 ARG A O 1 ATOM 482 C CB . ARG A 1 66 ? -16.992 -27.980 16.931 1.00 47.87 ? 66 ARG A CB 1 ATOM 483 C CG . ARG A 1 66 ? -17.126 -29.416 17.402 1.00 52.21 ? 66 ARG A CG 1 ATOM 484 C CD . ARG A 1 66 ? -18.478 -30.001 17.059 1.00 67.36 ? 66 ARG A CD 1 ATOM 485 N NE . ARG A 1 66 ? -18.771 -31.163 17.888 1.00 72.38 ? 66 ARG A NE 1 ATOM 486 C CZ . ARG A 1 66 ? -19.771 -32.006 17.667 1.00 85.38 ? 66 ARG A CZ 1 ATOM 487 N NH1 . ARG A 1 66 ? -20.575 -31.827 16.628 1.00 91.80 ? 66 ARG A NH1 1 ATOM 488 N NH2 . ARG A 1 66 ? -19.958 -33.034 18.481 1.00 90.68 ? 66 ARG A NH2 1 ATOM 489 N N . LEU A 1 67 ? -15.218 -25.046 17.057 1.00 41.03 ? 67 LEU A N 1 ATOM 490 C CA . LEU A 1 67 ? -15.029 -23.718 16.472 1.00 34.74 ? 67 LEU A CA 1 ATOM 491 C C . LEU A 1 67 ? -13.549 -23.461 16.199 1.00 42.34 ? 67 LEU A C 1 ATOM 492 O O . LEU A 1 67 ? -13.204 -22.776 15.233 1.00 36.16 ? 67 LEU A O 1 ATOM 493 C CB . LEU A 1 67 ? -15.601 -22.622 17.385 1.00 32.66 ? 67 LEU A CB 1 ATOM 494 C CG . LEU A 1 67 ? -17.133 -22.584 17.526 1.00 34.08 ? 67 LEU A CG 1 ATOM 495 C CD1 . LEU A 1 67 ? -17.562 -21.415 18.401 1.00 40.69 ? 67 LEU A CD1 1 ATOM 496 C CD2 . LEU A 1 67 ? -17.825 -22.524 16.168 1.00 38.88 ? 67 LEU A CD2 1 ATOM 497 N N . ARG A 1 68 ? -12.681 -24.013 17.048 1.00 37.08 ? 68 ARG A N 1 ATOM 498 C CA . ARG A 1 68 ? -11.235 -23.811 16.914 1.00 36.01 ? 68 ARG A CA 1 ATOM 499 C C . ARG A 1 68 ? -10.670 -24.222 15.559 1.00 37.57 ? 68 ARG A C 1 ATOM 500 O O . ARG A 1 68 ? -9.866 -23.498 14.980 1.00 39.81 ? 68 ARG A O 1 ATOM 501 C CB . ARG A 1 68 ? -10.471 -24.576 18.009 1.00 41.88 ? 68 ARG A CB 1 ATOM 502 C CG . ARG A 1 68 ? -10.439 -23.880 19.346 1.00 34.53 ? 68 ARG A CG 1 ATOM 503 C CD . ARG A 1 68 ? -9.349 -24.485 20.261 1.00 29.73 ? 68 ARG A CD 1 ATOM 504 N NE . ARG A 1 68 ? -9.490 -25.932 20.446 1.00 37.34 ? 68 ARG A NE 1 ATOM 505 C CZ . ARG A 1 68 ? -10.298 -26.495 21.343 1.00 36.59 ? 68 ARG A CZ 1 ATOM 506 N NH1 . ARG A 1 68 ? -11.054 -25.732 22.122 1.00 40.99 ? 68 ARG A NH1 1 ATOM 507 N NH2 . ARG A 1 68 ? -10.365 -27.818 21.457 1.00 37.85 ? 68 ARG A NH2 1 ATOM 508 N N . PRO A 1 69 ? -11.066 -25.399 15.052 1.00 38.74 ? 69 PRO A N 1 ATOM 509 C CA . PRO A 1 69 ? -10.462 -25.849 13.793 1.00 37.11 ? 69 PRO A CA 1 ATOM 510 C C . PRO A 1 69 ? -10.882 -25.028 12.571 1.00 39.76 ? 69 PRO A C 1 ATOM 511 O O . PRO A 1 69 ? -10.360 -25.276 11.493 1.00 41.14 ? 69 PRO A O 1 ATOM 512 C CB . PRO A 1 69 ? -10.962 -27.298 13.662 1.00 42.27 ? 69 PRO A CB 1 ATOM 513 C CG . PRO A 1 69 ? -11.275 -27.709 15.076 1.00 43.45 ? 69 PRO A CG 1 ATOM 514 C CD . PRO A 1 69 ? -11.855 -26.463 15.691 1.00 37.82 ? 69 PRO A CD 1 ATOM 515 N N . LEU A 1 70 ? -11.802 -24.079 12.721 1.00 37.77 ? 70 LEU A N 1 ATOM 516 C CA . LEU A 1 70 ? -12.161 -23.228 11.593 1.00 43.61 ? 70 LEU A CA 1 ATOM 517 C C . LEU A 1 70 ? -10.985 -22.342 11.172 1.00 38.74 ? 70 LEU A C 1 ATOM 518 O O . LEU A 1 70 ? -10.921 -21.905 10.024 1.00 41.81 ? 70 LEU A O 1 ATOM 519 C CB . LEU A 1 70 ? -13.388 -22.372 11.917 1.00 34.96 ? 70 LEU A CB 1 ATOM 520 C CG . LEU A 1 70 ? -14.703 -23.134 12.114 1.00 37.54 ? 70 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 70 ? -15.803 -22.189 12.552 1.00 40.05 ? 70 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 70 ? -15.120 -23.893 10.840 1.00 40.41 ? 70 LEU A CD2 1 ATOM 523 N N . SER A 1 71 ? -10.054 -22.097 12.094 1.00 37.50 ? 71 SER A N 1 ATOM 524 C CA . SER A 1 71 ? -8.860 -21.302 11.791 1.00 33.07 ? 71 SER A CA 1 ATOM 525 C C . SER A 1 71 ? -7.709 -22.102 11.158 1.00 35.95 ? 71 SER A C 1 ATOM 526 O O . SER A 1 71 ? -6.740 -21.512 10.687 1.00 33.84 ? 71 SER A O 1 ATOM 527 C CB . SER A 1 71 ? -8.332 -20.624 13.064 1.00 29.47 ? 71 SER A CB 1 ATOM 528 O OG . SER A 1 71 ? -9.233 -19.634 13.534 1.00 34.31 ? 71 SER A OG 1 ATOM 529 N N . TYR A 1 72 ? -7.801 -23.427 11.164 1.00 35.74 ? 72 TYR A N 1 ATOM 530 C CA . TYR A 1 72 ? -6.636 -24.257 10.840 1.00 40.66 ? 72 TYR A CA 1 ATOM 531 C C . TYR A 1 72 ? -6.337 -24.476 9.336 1.00 40.69 ? 72 TYR A C 1 ATOM 532 O O . TYR A 1 72 ? -5.166 -24.569 8.961 1.00 41.43 ? 72 TYR A O 1 ATOM 533 C CB . TYR A 1 72 ? -6.766 -25.627 11.519 1.00 37.98 ? 72 TYR A CB 1 ATOM 534 C CG . TYR A 1 72 ? -6.715 -25.599 13.038 1.00 32.98 ? 72 TYR A CG 1 ATOM 535 C CD1 . TYR A 1 72 ? -6.395 -24.430 13.730 1.00 31.11 ? 72 TYR A CD1 1 ATOM 536 C CD2 . TYR A 1 72 ? -6.984 -26.744 13.778 1.00 41.26 ? 72 TYR A CD2 1 ATOM 537 C CE1 . TYR A 1 72 ? -6.339 -24.406 15.125 1.00 38.12 ? 72 TYR A CE1 1 ATOM 538 C CE2 . TYR A 1 72 ? -6.935 -26.733 15.167 1.00 40.94 ? 72 TYR A CE2 1 ATOM 539 C CZ . TYR A 1 72 ? -6.611 -25.562 15.834 1.00 37.40 ? 72 TYR A CZ 1 ATOM 540 O OH . TYR A 1 72 ? -6.576 -25.551 17.211 1.00 34.04 ? 72 TYR A OH 1 ATOM 541 N N . PRO A 1 73 ? -7.370 -24.583 8.477 1.00 41.96 ? 73 PRO A N 1 ATOM 542 C CA . PRO A 1 73 ? -7.062 -24.857 7.055 1.00 42.36 ? 73 PRO A CA 1 ATOM 543 C C . PRO A 1 73 ? -6.118 -23.836 6.387 1.00 39.18 ? 73 PRO A C 1 ATOM 544 O O . PRO A 1 73 ? -6.231 -22.641 6.618 1.00 39.33 ? 73 PRO A O 1 ATOM 545 C CB . PRO A 1 73 ? -8.446 -24.835 6.389 1.00 41.84 ? 73 PRO A CB 1 ATOM 546 C CG . PRO A 1 73 ? -9.380 -25.242 7.466 1.00 45.57 ? 73 PRO A CG 1 ATOM 547 C CD . PRO A 1 73 ? -8.824 -24.615 8.735 1.00 41.28 ? 73 PRO A CD 1 ATOM 548 N N . GLN A 1 74 ? -5.188 -24.340 5.571 1.00 43.59 ? 74 GLN A N 1 ATOM 549 C CA . GLN A 1 74 ? -4.165 -23.541 4.873 1.00 45.79 ? 74 GLN A CA 1 ATOM 550 C C . GLN A 1 74 ? -3.115 -22.857 5.775 1.00 46.57 ? 74 GLN A C 1 ATOM 551 O O . GLN A 1 74 ? -2.381 -21.972 5.327 1.00 41.80 ? 74 GLN A O 1 ATOM 552 C CB . GLN A 1 74 ? -4.828 -22.485 3.992 1.00 49.18 ? 74 GLN A CB 1 ATOM 553 C CG . GLN A 1 74 ? -5.503 -23.051 2.754 1.00 60.63 ? 74 GLN A CG 1 ATOM 554 C CD . GLN A 1 74 ? -6.773 -23.821 3.074 1.00 60.62 ? 74 GLN A CD 1 ATOM 555 O OE1 . GLN A 1 74 ? -7.764 -23.242 3.528 1.00 53.85 ? 74 GLN A OE1 1 ATOM 556 N NE2 . GLN A 1 74 ? -6.751 -25.131 2.839 1.00 53.64 ? 74 GLN A NE2 1 ATOM 557 N N . THR A 1 75 ? -3.025 -23.271 7.030 1.00 43.88 ? 75 THR A N 1 ATOM 558 C CA . THR A 1 75 ? -1.943 -22.802 7.897 1.00 40.65 ? 75 THR A CA 1 ATOM 559 C C . THR A 1 75 ? -0.593 -23.334 7.398 1.00 38.49 ? 75 THR A C 1 ATOM 560 O O . THR A 1 75 ? -0.475 -24.505 7.047 1.00 41.10 ? 75 THR A O 1 ATOM 561 C CB . THR A 1 75 ? -2.188 -23.235 9.359 1.00 36.27 ? 75 THR A CB 1 ATOM 562 O OG1 . THR A 1 75 ? -3.425 -22.671 9.813 1.00 34.72 ? 75 THR A OG1 1 ATOM 563 C CG2 . THR A 1 75 ? -1.053 -22.788 10.265 1.00 32.59 ? 75 THR A CG2 1 ATOM 564 N N . ASP A 1 76 ? 0.426 -22.476 7.356 1.00 39.46 ? 76 ASP A N 1 ATOM 565 C CA . ASP A 1 76 ? 1.764 -22.909 6.946 1.00 41.30 ? 76 ASP A CA 1 ATOM 566 C C . ASP A 1 76 ? 2.658 -23.360 8.118 1.00 36.42 ? 76 ASP A C 1 ATOM 567 O O . ASP A 1 76 ? 3.548 -24.209 7.938 1.00 37.67 ? 76 ASP A O 1 ATOM 568 C CB . ASP A 1 76 ? 2.471 -21.789 6.181 1.00 39.36 ? 76 ASP A CB 1 ATOM 569 C CG . ASP A 1 76 ? 1.730 -21.386 4.915 1.00 44.62 ? 76 ASP A CG 1 ATOM 570 O OD1 . ASP A 1 76 ? 1.686 -22.196 3.967 1.00 46.65 ? 76 ASP A OD1 1 ATOM 571 O OD2 . ASP A 1 76 ? 1.206 -20.256 4.867 1.00 45.68 ? 76 ASP A OD2 1 ATOM 572 N N . VAL A 1 77 ? 2.442 -22.790 9.302 1.00 34.12 ? 77 VAL A N 1 ATOM 573 C CA . VAL A 1 77 ? 3.209 -23.187 10.495 1.00 34.86 ? 77 VAL A CA 1 ATOM 574 C C . VAL A 1 77 ? 2.442 -22.858 11.777 1.00 34.90 ? 77 VAL A C 1 ATOM 575 O O . VAL A 1 77 ? 1.796 -21.809 11.866 1.00 32.23 ? 77 VAL A O 1 ATOM 576 C CB . VAL A 1 77 ? 4.596 -22.499 10.525 1.00 31.64 ? 77 VAL A CB 1 ATOM 577 C CG1 . VAL A 1 77 ? 4.442 -20.970 10.511 1.00 34.84 ? 77 VAL A CG1 1 ATOM 578 C CG2 . VAL A 1 77 ? 5.423 -22.963 11.714 1.00 33.13 ? 77 VAL A CG2 1 ATOM 579 N N . PHE A 1 78 ? 2.514 -23.760 12.756 1.00 31.16 ? 78 PHE A N 1 ATOM 580 C CA . PHE A 1 78 ? 1.844 -23.591 14.046 1.00 28.36 ? 78 PHE A CA 1 ATOM 581 C C . PHE A 1 78 ? 2.863 -23.297 15.143 1.00 27.35 ? 78 PHE A C 1 ATOM 582 O O . PHE A 1 78 ? 3.936 -23.918 15.172 1.00 32.86 ? 78 PHE A O 1 ATOM 583 C CB . PHE A 1 78 ? 1.053 -24.855 14.437 1.00 29.10 ? 78 PHE A CB 1 ATOM 584 C CG . PHE A 1 78 ? -0.257 -25.023 13.707 1.00 33.72 ? 78 PHE A CG 1 ATOM 585 C CD1 . PHE A 1 78 ? -1.421 -24.412 14.181 1.00 32.32 ? 78 PHE A CD1 1 ATOM 586 C CD2 . PHE A 1 78 ? -0.325 -25.810 12.562 1.00 36.11 ? 78 PHE A CD2 1 ATOM 587 C CE1 . PHE A 1 78 ? -2.632 -24.572 13.507 1.00 30.97 ? 78 PHE A CE1 1 ATOM 588 C CE2 . PHE A 1 78 ? -1.530 -25.978 11.884 1.00 33.99 ? 78 PHE A CE2 1 ATOM 589 C CZ . PHE A 1 78 ? -2.688 -25.347 12.365 1.00 33.19 ? 78 PHE A CZ 1 ATOM 590 N N . LEU A 1 79 ? 2.534 -22.369 16.042 1.00 29.23 ? 79 LEU A N 1 ATOM 591 C CA . LEU A 1 79 ? 3.220 -22.294 17.339 1.00 24.38 ? 79 LEU A CA 1 ATOM 592 C C . LEU A 1 79 ? 2.302 -22.935 18.368 1.00 26.05 ? 79 LEU A C 1 ATOM 593 O O . LEU A 1 79 ? 1.221 -22.406 18.625 1.00 27.73 ? 79 LEU A O 1 ATOM 594 C CB . LEU A 1 79 ? 3.526 -20.841 17.751 1.00 29.87 ? 79 LEU A CB 1 ATOM 595 C CG . LEU A 1 79 ? 4.259 -19.947 16.738 1.00 30.52 ? 79 LEU A CG 1 ATOM 596 C CD1 . LEU A 1 79 ? 4.506 -18.577 17.357 1.00 35.77 ? 79 LEU A CD1 1 ATOM 597 C CD2 . LEU A 1 79 ? 5.565 -20.574 16.276 1.00 33.30 ? 79 LEU A CD2 1 ATOM 598 N N . ILE A 1 80 ? 2.698 -24.077 18.935 1.00 25.16 ? 80 ILE A N 1 ATOM 599 C CA . ILE A 1 80 ? 1.954 -24.633 20.069 1.00 23.95 ? 80 ILE A CA 1 ATOM 600 C C . ILE A 1 80 ? 2.660 -24.167 21.358 1.00 24.48 ? 80 ILE A C 1 ATOM 601 O O . ILE A 1 80 ? 3.849 -24.457 21.553 1.00 27.71 ? 80 ILE A O 1 ATOM 602 C CB . ILE A 1 80 ? 1.880 -26.174 20.003 1.00 30.13 ? 80 ILE A CB 1 ATOM 603 C CG1 . ILE A 1 80 ? 1.102 -26.619 18.758 1.00 27.69 ? 80 ILE A CG1 1 ATOM 604 C CG2 . ILE A 1 80 ? 1.284 -26.762 21.288 1.00 31.08 ? 80 ILE A CG2 1 ATOM 605 C CD1 . ILE A 1 80 ? 1.007 -28.139 18.585 1.00 30.32 ? 80 ILE A CD1 1 ATOM 606 N N . CYS A 1 81 ? 1.937 -23.450 22.219 1.00 21.91 ? 81 CYS A N 1 ATOM 607 C CA . CYS A 1 81 ? 2.524 -22.766 23.375 1.00 24.17 ? 81 CYS A CA 1 ATOM 608 C C . CYS A 1 81 ? 2.071 -23.362 24.704 1.00 31.11 ? 81 CYS A C 1 ATOM 609 O O . CYS A 1 81 ? 0.915 -23.757 24.847 1.00 29.91 ? 81 CYS A O 1 ATOM 610 C CB . CYS A 1 81 ? 2.149 -21.270 23.391 1.00 25.79 ? 81 CYS A CB 1 ATOM 611 S SG . CYS A 1 81 ? 2.628 -20.366 21.896 1.00 29.04 ? 81 CYS A SG 1 ATOM 612 N N . PHE A 1 82 ? 2.973 -23.363 25.683 1.00 24.45 ? 82 PHE A N 1 ATOM 613 C CA . PHE A 1 82 ? 2.620 -23.667 27.076 1.00 26.58 ? 82 PHE A CA 1 ATOM 614 C C . PHE A 1 82 ? 3.450 -22.756 27.967 1.00 25.08 ? 82 PHE A C 1 ATOM 615 O O . PHE A 1 82 ? 4.543 -22.349 27.569 1.00 26.71 ? 82 PHE A O 1 ATOM 616 C CB . PHE A 1 82 ? 2.907 -25.146 27.436 1.00 22.71 ? 82 PHE A CB 1 ATOM 617 C CG . PHE A 1 82 ? 4.367 -25.491 27.478 1.00 26.20 ? 82 PHE A CG 1 ATOM 618 C CD1 . PHE A 1 82 ? 5.050 -25.825 26.323 1.00 23.91 ? 82 PHE A CD1 1 ATOM 619 C CD2 . PHE A 1 82 ? 5.059 -25.480 28.697 1.00 25.06 ? 82 PHE A CD2 1 ATOM 620 C CE1 . PHE A 1 82 ? 6.403 -26.156 26.345 1.00 28.10 ? 82 PHE A CE1 1 ATOM 621 C CE2 . PHE A 1 82 ? 6.404 -25.793 28.742 1.00 23.45 ? 82 PHE A CE2 1 ATOM 622 C CZ . PHE A 1 82 ? 7.088 -26.140 27.561 1.00 28.42 ? 82 PHE A CZ 1 ATOM 623 N N . SER A 1 83 ? 2.963 -22.462 29.171 1.00 24.72 ? 83 SER A N 1 ATOM 624 C CA . SER A 1 83 ? 3.743 -21.680 30.135 1.00 28.70 ? 83 SER A CA 1 ATOM 625 C C . SER A 1 83 ? 4.725 -22.565 30.908 1.00 28.31 ? 83 SER A C 1 ATOM 626 O O . SER A 1 83 ? 4.332 -23.622 31.419 1.00 25.12 ? 83 SER A O 1 ATOM 627 C CB . SER A 1 83 ? 2.802 -20.965 31.110 1.00 26.74 ? 83 SER A CB 1 ATOM 628 O OG . SER A 1 83 ? 3.489 -20.610 32.305 1.00 26.30 ? 83 SER A OG 1 ATOM 629 N N . LEU A 1 84 ? 5.989 -22.129 31.005 1.00 22.91 ? 84 LEU A N 1 ATOM 630 C CA . LEU A 1 84 ? 7.032 -22.861 31.736 1.00 22.50 ? 84 LEU A CA 1 ATOM 631 C C . LEU A 1 84 ? 6.775 -22.967 33.235 1.00 22.87 ? 84 LEU A C 1 ATOM 632 O O . LEU A 1 84 ? 7.430 -23.759 33.929 1.00 25.20 ? 84 LEU A O 1 ATOM 633 C CB . LEU A 1 84 ? 8.393 -22.204 31.481 1.00 26.51 ? 84 LEU A CB 1 ATOM 634 C CG . LEU A 1 84 ? 8.868 -22.385 30.034 1.00 27.60 ? 84 LEU A CG 1 ATOM 635 C CD1 . LEU A 1 84 ? 9.997 -21.409 29.699 1.00 27.69 ? 84 LEU A CD1 1 ATOM 636 C CD2 . LEU A 1 84 ? 9.354 -23.826 29.817 1.00 26.01 ? 84 LEU A CD2 1 ATOM 637 N N . VAL A 1 85 ? 5.818 -22.190 33.749 1.00 25.04 ? 85 VAL A N 1 ATOM 638 C CA . VAL A 1 85 ? 5.463 -22.337 35.152 1.00 29.88 ? 85 VAL A CA 1 ATOM 639 C C . VAL A 1 85 ? 4.026 -22.852 35.346 1.00 26.81 ? 85 VAL A C 1 ATOM 640 O O . VAL A 1 85 ? 3.440 -22.680 36.425 1.00 30.58 ? 85 VAL A O 1 ATOM 641 C CB . VAL A 1 85 ? 5.685 -21.008 35.933 1.00 27.76 ? 85 VAL A CB 1 ATOM 642 C CG1 . VAL A 1 85 ? 7.168 -20.640 35.899 1.00 29.61 ? 85 VAL A CG1 1 ATOM 643 C CG2 . VAL A 1 85 ? 4.840 -19.878 35.384 1.00 25.79 ? 85 VAL A CG2 1 ATOM 644 N N . SER A 1 86 ? 3.491 -23.527 34.319 1.00 27.81 ? 86 SER A N 1 ATOM 645 C CA . SER A 1 86 ? 2.204 -24.232 34.424 1.00 25.12 ? 86 SER A CA 1 ATOM 646 C C . SER A 1 86 ? 2.297 -25.654 33.869 1.00 28.68 ? 86 SER A C 1 ATOM 647 O O . SER A 1 86 ? 2.111 -25.877 32.661 1.00 27.24 ? 86 SER A O 1 ATOM 648 C CB . SER A 1 86 ? 1.091 -23.487 33.681 1.00 30.75 ? 86 SER A CB 1 ATOM 649 O OG . SER A 1 86 ? -0.140 -24.203 33.793 1.00 29.18 ? 86 SER A OG 1 ATOM 650 N N . PRO A 1 87 ? 2.606 -26.623 34.737 1.00 28.03 ? 87 PRO A N 1 ATOM 651 C CA . PRO A 1 87 ? 2.710 -28.007 34.258 1.00 30.87 ? 87 PRO A CA 1 ATOM 652 C C . PRO A 1 87 ? 1.427 -28.511 33.584 1.00 28.94 ? 87 PRO A C 1 ATOM 653 O O . PRO A 1 87 ? 1.511 -29.332 32.675 1.00 29.66 ? 87 PRO A O 1 ATOM 654 C CB . PRO A 1 87 ? 3.004 -28.789 35.541 1.00 32.30 ? 87 PRO A CB 1 ATOM 655 C CG . PRO A 1 87 ? 3.771 -27.805 36.382 1.00 31.81 ? 87 PRO A CG 1 ATOM 656 C CD . PRO A 1 87 ? 3.094 -26.478 36.123 1.00 30.46 ? 87 PRO A CD 1 ATOM 657 N N . ALA A 1 88 ? 0.269 -28.040 34.025 1.00 27.53 ? 88 ALA A N 1 ATOM 658 C CA . ALA A 1 88 ? -0.988 -28.440 33.395 1.00 28.41 ? 88 ALA A CA 1 ATOM 659 C C . ALA A 1 88 ? -1.033 -28.006 31.919 1.00 31.61 ? 88 ALA A C 1 ATOM 660 O O . ALA A 1 88 ? -1.472 -28.784 31.063 1.00 27.09 ? 88 ALA A O 1 ATOM 661 C CB . ALA A 1 88 ? -2.203 -27.864 34.165 1.00 28.56 ? 88 ALA A CB 1 ATOM 662 N N . SER A 1 89 ? -0.582 -26.785 31.616 1.00 28.02 ? 89 SER A N 1 ATOM 663 C CA . SER A 1 89 ? -0.580 -26.293 30.230 1.00 27.43 ? 89 SER A CA 1 ATOM 664 C C . SER A 1 89 ? 0.405 -27.112 29.384 1.00 28.59 ? 89 SER A C 1 ATOM 665 O O . SER A 1 89 ? 0.187 -27.289 28.186 1.00 25.15 ? 89 SER A O 1 ATOM 666 C CB . SER A 1 89 ? -0.252 -24.783 30.162 1.00 29.05 ? 89 SER A CB 1 ATOM 667 O OG . SER A 1 89 ? 1.114 -24.503 30.437 1.00 25.35 ? 89 SER A OG 1 ATOM 668 N N . PHE A 1 90 ? 1.466 -27.623 30.017 1.00 23.50 ? 90 PHE A N 1 ATOM 669 C CA . PHE A 1 90 ? 2.476 -28.454 29.349 1.00 24.02 ? 90 PHE A CA 1 ATOM 670 C C . PHE A 1 90 ? 1.886 -29.816 28.982 1.00 30.37 ? 90 PHE A C 1 ATOM 671 O O . PHE A 1 90 ? 1.997 -30.264 27.831 1.00 28.14 ? 90 PHE A O 1 ATOM 672 C CB . PHE A 1 90 ? 3.706 -28.592 30.265 1.00 23.68 ? 90 PHE A CB 1 ATOM 673 C CG . PHE A 1 90 ? 4.822 -29.465 29.731 1.00 29.69 ? 90 PHE A CG 1 ATOM 674 C CD1 . PHE A 1 90 ? 5.547 -29.111 28.601 1.00 29.46 ? 90 PHE A CD1 1 ATOM 675 C CD2 . PHE A 1 90 ? 5.200 -30.611 30.424 1.00 29.09 ? 90 PHE A CD2 1 ATOM 676 C CE1 . PHE A 1 90 ? 6.607 -29.924 28.152 1.00 26.91 ? 90 PHE A CE1 1 ATOM 677 C CE2 . PHE A 1 90 ? 6.260 -31.423 29.971 1.00 30.59 ? 90 PHE A CE2 1 ATOM 678 C CZ . PHE A 1 90 ? 6.955 -31.066 28.842 1.00 31.04 ? 90 PHE A CZ 1 ATOM 679 N N . GLU A 1 91 ? 1.244 -30.471 29.940 1.00 28.40 ? 91 GLU A N 1 ATOM 680 C CA . GLU A 1 91 ? 0.605 -31.749 29.639 1.00 26.60 ? 91 GLU A CA 1 ATOM 681 C C . GLU A 1 91 ? -0.465 -31.616 28.552 1.00 30.28 ? 91 GLU A C 1 ATOM 682 O O . GLU A 1 91 ? -0.670 -32.534 27.760 1.00 31.86 ? 91 GLU A O 1 ATOM 683 C CB . GLU A 1 91 ? -0.025 -32.354 30.891 1.00 31.17 ? 91 GLU A CB 1 ATOM 684 C CG . GLU A 1 91 ? -0.460 -33.788 30.658 1.00 35.96 ? 91 GLU A CG 1 ATOM 685 C CD . GLU A 1 91 ? 0.714 -34.677 30.258 1.00 41.19 ? 91 GLU A CD 1 ATOM 686 O OE1 . GLU A 1 91 ? 1.765 -34.636 30.935 1.00 44.42 ? 91 GLU A OE1 1 ATOM 687 O OE2 . GLU A 1 91 ? 0.599 -35.405 29.260 1.00 45.41 ? 91 GLU A OE2 1 ATOM 688 N N . ASN A 1 92 ? -1.146 -30.474 28.505 1.00 26.76 ? 92 ASN A N 1 ATOM 689 C CA . ASN A 1 92 ? -2.199 -30.279 27.506 1.00 26.37 ? 92 ASN A CA 1 ATOM 690 C C . ASN A 1 92 ? -1.655 -30.172 26.080 1.00 28.78 ? 92 ASN A C 1 ATOM 691 O O . ASN A 1 92 ? -2.402 -30.352 25.116 1.00 26.50 ? 92 ASN A O 1 ATOM 692 C CB . ASN A 1 92 ? -3.045 -29.055 27.853 1.00 27.88 ? 92 ASN A CB 1 ATOM 693 C CG . ASN A 1 92 ? -4.215 -29.411 28.749 1.00 35.98 ? 92 ASN A CG 1 ATOM 694 O OD1 . ASN A 1 92 ? -4.620 -30.573 28.812 1.00 40.89 ? 92 ASN A OD1 1 ATOM 695 N ND2 . ASN A 1 92 ? -4.761 -28.422 29.452 1.00 35.04 ? 92 ASN A ND2 1 ATOM 696 N N . VAL A 1 93 ? -0.352 -29.922 25.938 1.00 27.91 ? 93 VAL A N 1 ATOM 697 C CA . VAL A 1 93 ? 0.305 -30.022 24.626 1.00 27.47 ? 93 VAL A CA 1 ATOM 698 C C . VAL A 1 93 ? 0.086 -31.415 24.020 1.00 31.11 ? 93 VAL A C 1 ATOM 699 O O . VAL A 1 93 ? -0.223 -31.570 22.827 1.00 29.39 ? 93 VAL A O 1 ATOM 700 C CB . VAL A 1 93 ? 1.828 -29.757 24.732 1.00 26.63 ? 93 VAL A CB 1 ATOM 701 C CG1 . VAL A 1 93 ? 2.526 -30.114 23.402 1.00 28.77 ? 93 VAL A CG1 1 ATOM 702 C CG2 . VAL A 1 93 ? 2.104 -28.315 25.121 1.00 24.35 ? 93 VAL A CG2 1 ATOM 703 N N . ARG A 1 94 ? 0.245 -32.423 24.866 1.00 26.70 ? 94 ARG A N 1 ATOM 704 C CA . ARG A 1 94 ? 0.068 -33.823 24.495 1.00 31.43 ? 94 ARG A CA 1 ATOM 705 C C . ARG A 1 94 ? -1.399 -34.266 24.487 1.00 37.23 ? 94 ARG A C 1 ATOM 706 O O . ARG A 1 94 ? -1.813 -35.049 23.632 1.00 33.71 ? 94 ARG A O 1 ATOM 707 C CB . ARG A 1 94 ? 0.875 -34.703 25.460 1.00 29.48 ? 94 ARG A CB 1 ATOM 708 C CG . ARG A 1 94 ? 0.927 -36.147 25.118 1.00 36.28 ? 94 ARG A CG 1 ATOM 709 C CD . ARG A 1 94 ? 2.157 -36.786 25.781 1.00 38.69 ? 94 ARG A CD 1 ATOM 710 N NE . ARG A 1 94 ? 2.260 -36.446 27.197 1.00 42.04 ? 94 ARG A NE 1 ATOM 711 C CZ . ARG A 1 94 ? 3.345 -36.634 27.950 1.00 46.03 ? 94 ARG A CZ 1 ATOM 712 N NH1 . ARG A 1 94 ? 3.327 -36.293 29.236 1.00 40.32 ? 94 ARG A NH1 1 ATOM 713 N NH2 . ARG A 1 94 ? 4.452 -37.153 27.426 1.00 40.75 ? 94 ARG A NH2 1 ATOM 714 N N . ALA A 1 95 ? -2.193 -33.768 25.431 1.00 31.33 ? 95 ALA A N 1 ATOM 715 C CA . ALA A 1 95 ? -3.561 -34.260 25.582 1.00 35.04 ? 95 ALA A CA 1 ATOM 716 C C . ALA A 1 95 ? -4.558 -33.559 24.660 1.00 34.53 ? 95 ALA A C 1 ATOM 717 O O . ALA A 1 95 ? -5.581 -34.137 24.296 1.00 40.40 ? 95 ALA A O 1 ATOM 718 C CB . ALA A 1 95 ? -4.019 -34.126 27.045 1.00 34.27 ? 95 ALA A CB 1 ATOM 719 N N . LYS A 1 96 ? -4.266 -32.321 24.280 1.00 29.37 ? 96 LYS A N 1 ATOM 720 C CA . LYS A 1 96 ? -5.261 -31.510 23.583 1.00 29.48 ? 96 LYS A CA 1 ATOM 721 C C . LYS A 1 96 ? -4.745 -30.915 22.264 1.00 33.29 ? 96 LYS A C 1 ATOM 722 O O . LYS A 1 96 ? -5.343 -31.136 21.216 1.00 35.38 ? 96 LYS A O 1 ATOM 723 C CB . LYS A 1 96 ? -5.755 -30.387 24.516 1.00 28.90 ? 96 LYS A CB 1 ATOM 724 C CG . LYS A 1 96 ? -6.882 -29.514 23.953 1.00 29.28 ? 96 LYS A CG 1 ATOM 725 C CD . LYS A 1 96 ? -7.363 -28.515 25.035 1.00 29.10 ? 96 LYS A CD 1 ATOM 726 C CE . LYS A 1 96 ? -8.589 -27.721 24.586 1.00 33.95 ? 96 LYS A CE 1 ATOM 727 N NZ . LYS A 1 96 ? -9.179 -26.906 25.700 1.00 33.71 ? 96 LYS A NZ 1 ATOM 728 N N . TRP A 1 97 ? -3.633 -30.179 22.304 1.00 28.11 ? 97 TRP A N 1 ATOM 729 C CA . TRP A 1 97 ? -3.251 -29.350 21.150 1.00 34.53 ? 97 TRP A CA 1 ATOM 730 C C . TRP A 1 97 ? -2.608 -30.124 19.973 1.00 38.25 ? 97 TRP A C 1 ATOM 731 O O . TRP A 1 97 ? -3.024 -29.964 18.814 1.00 34.66 ? 97 TRP A O 1 ATOM 732 C CB . TRP A 1 97 ? -2.338 -28.205 21.626 1.00 27.77 ? 97 TRP A CB 1 ATOM 733 C CG . TRP A 1 97 ? -3.064 -27.324 22.661 1.00 25.06 ? 97 TRP A CG 1 ATOM 734 C CD1 . TRP A 1 97 ? -2.717 -27.130 23.972 1.00 31.99 ? 97 TRP A CD1 1 ATOM 735 C CD2 . TRP A 1 97 ? -4.270 -26.587 22.454 1.00 27.64 ? 97 TRP A CD2 1 ATOM 736 N NE1 . TRP A 1 97 ? -3.623 -26.299 24.582 1.00 30.76 ? 97 TRP A NE1 1 ATOM 737 C CE2 . TRP A 1 97 ? -4.592 -25.956 23.677 1.00 29.79 ? 97 TRP A CE2 1 ATOM 738 C CE3 . TRP A 1 97 ? -5.115 -26.396 21.351 1.00 27.43 ? 97 TRP A CE3 1 ATOM 739 C CZ2 . TRP A 1 97 ? -5.714 -25.143 23.821 1.00 32.05 ? 97 TRP A CZ2 1 ATOM 740 C CZ3 . TRP A 1 97 ? -6.226 -25.590 21.499 1.00 32.39 ? 97 TRP A CZ3 1 ATOM 741 C CH2 . TRP A 1 97 ? -6.513 -24.968 22.721 1.00 31.07 ? 97 TRP A CH2 1 ATOM 742 N N . TYR A 1 98 ? -1.611 -30.957 20.243 1.00 29.47 ? 98 TYR A N 1 ATOM 743 C CA . TYR A 1 98 ? -0.988 -31.712 19.154 1.00 29.30 ? 98 TYR A CA 1 ATOM 744 C C . TYR A 1 98 ? -1.999 -32.599 18.409 1.00 32.79 ? 98 TYR A C 1 ATOM 745 O O . TYR A 1 98 ? -2.023 -32.619 17.165 1.00 32.27 ? 98 TYR A O 1 ATOM 746 C CB . TYR A 1 98 ? 0.177 -32.549 19.684 1.00 31.36 ? 98 TYR A CB 1 ATOM 747 C CG . TYR A 1 98 ? 0.619 -33.631 18.725 1.00 34.24 ? 98 TYR A CG 1 ATOM 748 C CD1 . TYR A 1 98 ? 1.249 -33.313 17.528 1.00 35.67 ? 98 TYR A CD1 1 ATOM 749 C CD2 . TYR A 1 98 ? 0.399 -34.965 19.017 1.00 37.05 ? 98 TYR A CD2 1 ATOM 750 C CE1 . TYR A 1 98 ? 1.650 -34.301 16.647 1.00 39.60 ? 98 TYR A CE1 1 ATOM 751 C CE2 . TYR A 1 98 ? 0.803 -35.967 18.138 1.00 46.27 ? 98 TYR A CE2 1 ATOM 752 C CZ . TYR A 1 98 ? 1.424 -35.621 16.954 1.00 44.68 ? 98 TYR A CZ 1 ATOM 753 O OH . TYR A 1 98 ? 1.828 -36.599 16.070 1.00 64.34 ? 98 TYR A OH 1 ATOM 754 N N . PRO A 1 99 ? -2.845 -33.334 19.149 1.00 31.40 ? 99 PRO A N 1 ATOM 755 C CA . PRO A 1 99 ? -3.767 -34.234 18.438 1.00 33.14 ? 99 PRO A CA 1 ATOM 756 C C . PRO A 1 99 ? -4.703 -33.525 17.453 1.00 35.11 ? 99 PRO A C 1 ATOM 757 O O . PRO A 1 99 ? -4.921 -34.032 16.352 1.00 35.22 ? 99 PRO A O 1 ATOM 758 C CB . PRO A 1 99 ? -4.565 -34.870 19.578 1.00 36.55 ? 99 PRO A CB 1 ATOM 759 C CG . PRO A 1 99 ? -3.583 -34.926 20.695 1.00 33.83 ? 99 PRO A CG 1 ATOM 760 C CD . PRO A 1 99 ? -2.857 -33.591 20.601 1.00 30.65 ? 99 PRO A CD 1 ATOM 761 N N . GLU A 1 100 ? -5.242 -32.371 17.826 1.00 35.75 ? 100 GLU A N 1 ATOM 762 C CA . GLU A 1 100 ? -6.214 -31.727 16.954 1.00 41.44 ? 100 GLU A CA 1 ATOM 763 C C . GLU A 1 100 ? -5.536 -30.981 15.809 1.00 36.38 ? 100 GLU A C 1 ATOM 764 O O . GLU A 1 100 ? -6.058 -30.940 14.686 1.00 36.61 ? 100 GLU A O 1 ATOM 765 C CB . GLU A 1 100 ? -7.125 -30.793 17.751 1.00 37.25 ? 100 GLU A CB 1 ATOM 766 C CG . GLU A 1 100 ? -6.573 -29.427 18.116 1.00 40.45 ? 100 GLU A CG 1 ATOM 767 C CD . GLU A 1 100 ? -7.647 -28.570 18.776 1.00 41.96 ? 100 GLU A CD 1 ATOM 768 O OE1 . GLU A 1 100 ? -8.545 -29.157 19.422 1.00 41.40 ? 100 GLU A OE1 1 ATOM 769 O OE2 . GLU A 1 100 ? -7.609 -27.328 18.637 1.00 36.09 ? 100 GLU A OE2 1 ATOM 770 N N . VAL A 1 101 ? -4.361 -30.426 16.076 1.00 33.84 ? 101 VAL A N 1 ATOM 771 C CA . VAL A 1 101 ? -3.617 -29.715 15.039 1.00 34.07 ? 101 VAL A CA 1 ATOM 772 C C . VAL A 1 101 ? -3.141 -30.683 13.952 1.00 41.42 ? 101 VAL A C 1 ATOM 773 O O . VAL A 1 101 ? -3.216 -30.391 12.744 1.00 40.37 ? 101 VAL A O 1 ATOM 774 C CB . VAL A 1 101 ? -2.409 -28.972 15.639 1.00 32.73 ? 101 VAL A CB 1 ATOM 775 C CG1 . VAL A 1 101 ? -1.385 -28.657 14.557 1.00 34.53 ? 101 VAL A CG1 1 ATOM 776 C CG2 . VAL A 1 101 ? -2.856 -27.708 16.406 1.00 35.79 ? 101 VAL A CG2 1 ATOM 777 N N . ARG A 1 102 ? -2.683 -31.855 14.373 1.00 36.63 ? 102 ARG A N 1 ATOM 778 C CA . ARG A 1 102 ? -2.125 -32.829 13.435 1.00 42.38 ? 102 ARG A CA 1 ATOM 779 C C . ARG A 1 102 ? -3.248 -33.541 12.684 1.00 47.08 ? 102 ARG A C 1 ATOM 780 O O . ARG A 1 102 ? -3.097 -33.933 11.511 1.00 45.27 ? 102 ARG A O 1 ATOM 781 C CB . ARG A 1 102 ? -1.228 -33.832 14.173 1.00 35.19 ? 102 ARG A CB 1 ATOM 782 C CG . ARG A 1 102 ? -0.587 -34.888 13.280 1.00 41.18 ? 102 ARG A CG 1 ATOM 783 C CD . ARG A 1 102 ? 0.248 -34.278 12.143 1.00 48.13 ? 102 ARG A CD 1 ATOM 784 N NE . ARG A 1 102 ? 1.541 -33.724 12.567 1.00 44.49 ? 102 ARG A NE 1 ATOM 785 C CZ . ARG A 1 102 ? 1.967 -32.499 12.259 1.00 48.16 ? 102 ARG A CZ 1 ATOM 786 N NH1 . ARG A 1 102 ? 3.157 -32.076 12.672 1.00 41.23 ? 102 ARG A NH1 1 ATOM 787 N NH2 . ARG A 1 102 ? 1.199 -31.684 11.537 1.00 42.94 ? 102 ARG A NH2 1 ATOM 788 N N . HIS A 1 103 ? -4.391 -33.687 13.346 1.00 46.05 ? 103 HIS A N 1 ATOM 789 C CA . HIS A 1 103 ? -5.545 -34.304 12.701 1.00 42.95 ? 103 HIS A CA 1 ATOM 790 C C . HIS A 1 103 ? -6.060 -33.449 11.545 1.00 46.74 ? 103 HIS A C 1 ATOM 791 O O . HIS A 1 103 ? -6.392 -33.971 10.485 1.00 44.81 ? 103 HIS A O 1 ATOM 792 C CB . HIS A 1 103 ? -6.671 -34.544 13.706 1.00 47.33 ? 103 HIS A CB 1 ATOM 793 C CG . HIS A 1 103 ? -7.902 -35.131 13.095 1.00 60.79 ? 103 HIS A CG 1 ATOM 794 N ND1 . HIS A 1 103 ? -9.080 -34.426 12.973 1.00 68.02 ? 103 HIS A ND1 1 ATOM 795 C CD2 . HIS A 1 103 ? -8.133 -36.350 12.549 1.00 65.54 ? 103 HIS A CD2 1 ATOM 796 C CE1 . HIS A 1 103 ? -9.987 -35.188 12.386 1.00 71.84 ? 103 HIS A CE1 1 ATOM 797 N NE2 . HIS A 1 103 ? -9.438 -36.360 12.119 1.00 70.46 ? 103 HIS A NE2 1 ATOM 798 N N . HIS A 1 104 ? -6.121 -32.136 11.744 1.00 44.39 ? 104 HIS A N 1 ATOM 799 C CA . HIS A 1 104 ? -6.648 -31.242 10.711 1.00 49.03 ? 104 HIS A CA 1 ATOM 800 C C . HIS A 1 104 ? -5.593 -30.828 9.690 1.00 48.34 ? 104 HIS A C 1 ATOM 801 O O . HIS A 1 104 ? -5.913 -30.528 8.536 1.00 45.87 ? 104 HIS A O 1 ATOM 802 C CB . HIS A 1 104 ? -7.267 -29.998 11.354 1.00 43.64 ? 104 HIS A CB 1 ATOM 803 C CG . HIS A 1 104 ? -8.574 -30.263 12.035 1.00 52.01 ? 104 HIS A CG 1 ATOM 804 N ND1 . HIS A 1 104 ? -8.683 -30.438 13.398 1.00 52.00 ? 104 HIS A ND1 1 ATOM 805 C CD2 . HIS A 1 104 ? -9.827 -30.400 11.537 1.00 48.75 ? 104 HIS A CD2 1 ATOM 806 C CE1 . HIS A 1 104 ? -9.947 -30.664 13.712 1.00 48.34 ? 104 HIS A CE1 1 ATOM 807 N NE2 . HIS A 1 104 ? -10.661 -30.646 12.600 1.00 54.15 ? 104 HIS A NE2 1 ATOM 808 N N . CYS A 1 105 ? -4.336 -30.833 10.115 1.00 38.52 ? 105 CYS A N 1 ATOM 809 C CA . CYS A 1 105 ? -3.229 -30.377 9.279 1.00 38.81 ? 105 CYS A CA 1 ATOM 810 C C . CYS A 1 105 ? -2.073 -31.386 9.307 1.00 40.94 ? 105 CYS A C 1 ATOM 811 O O . CYS A 1 105 ? -1.041 -31.135 9.932 1.00 42.22 ? 105 CYS A O 1 ATOM 812 C CB . CYS A 1 105 ? -2.746 -29.000 9.750 1.00 36.72 ? 105 CYS A CB 1 ATOM 813 S SG . CYS A 1 105 ? -4.055 -27.701 9.810 1.00 40.12 ? 105 CYS A SG 1 ATOM 814 N N . PRO A 1 106 ? -2.254 -32.530 8.640 1.00 41.64 ? 106 PRO A N 1 ATOM 815 C CA . PRO A 1 106 ? -1.318 -33.665 8.710 1.00 42.56 ? 106 PRO A CA 1 ATOM 816 C C . PRO A 1 106 ? 0.127 -33.345 8.313 1.00 50.10 ? 106 PRO A C 1 ATOM 817 O O . PRO A 1 106 ? 1.034 -33.983 8.837 1.00 49.48 ? 106 PRO A O 1 ATOM 818 C CB . PRO A 1 106 ? -1.925 -34.679 7.735 1.00 48.00 ? 106 PRO A CB 1 ATOM 819 C CG . PRO A 1 106 ? -2.814 -33.872 6.839 1.00 54.02 ? 106 PRO A CG 1 ATOM 820 C CD . PRO A 1 106 ? -3.362 -32.796 7.708 1.00 43.88 ? 106 PRO A CD 1 ATOM 821 N N . ASN A 1 107 ? 0.351 -32.384 7.424 1.00 50.34 ? 107 ASN A N 1 ATOM 822 C CA . ASN A 1 107 ? 1.707 -32.146 6.928 1.00 54.38 ? 107 ASN A CA 1 ATOM 823 C C . ASN A 1 107 ? 2.349 -30.856 7.435 1.00 48.66 ? 107 ASN A C 1 ATOM 824 O O . ASN A 1 107 ? 3.465 -30.525 7.039 1.00 45.81 ? 107 ASN A O 1 ATOM 825 C CB . ASN A 1 107 ? 1.715 -32.129 5.393 1.00 55.09 ? 107 ASN A CB 1 ATOM 826 C CG . ASN A 1 107 ? 1.067 -33.360 4.786 1.00 66.33 ? 107 ASN A CG 1 ATOM 827 O OD1 . ASN A 1 107 ? 1.426 -34.496 5.111 1.00 64.76 ? 107 ASN A OD1 1 ATOM 828 N ND2 . ASN A 1 107 ? 0.102 -33.139 3.900 1.00 73.40 ? 107 ASN A ND2 1 ATOM 829 N N . THR A 1 108 ? 1.655 -30.126 8.305 1.00 39.21 ? 108 THR A N 1 ATOM 830 C CA . THR A 1 108 ? 2.100 -28.791 8.684 1.00 37.46 ? 108 THR A CA 1 ATOM 831 C C . THR A 1 108 ? 3.103 -28.781 9.848 1.00 35.93 ? 108 THR A C 1 ATOM 832 O O . THR A 1 108 ? 2.867 -29.392 10.897 1.00 41.22 ? 108 THR A O 1 ATOM 833 C CB . THR A 1 108 ? 0.897 -27.903 9.062 1.00 36.18 ? 108 THR A CB 1 ATOM 834 O OG1 . THR A 1 108 ? -0.063 -27.904 7.993 1.00 39.71 ? 108 THR A OG1 1 ATOM 835 C CG2 . THR A 1 108 ? 1.353 -26.467 9.364 1.00 35.92 ? 108 THR A CG2 1 ATOM 836 N N . PRO A 1 109 ? 4.226 -28.067 9.674 1.00 37.54 ? 109 PRO A N 1 ATOM 837 C CA . PRO A 1 109 ? 5.235 -28.047 10.751 1.00 34.82 ? 109 PRO A CA 1 ATOM 838 C C . PRO A 1 109 ? 4.775 -27.356 12.025 1.00 39.07 ? 109 PRO A C 1 ATOM 839 O O . PRO A 1 109 ? 4.012 -26.372 11.998 1.00 35.22 ? 109 PRO A O 1 ATOM 840 C CB . PRO A 1 109 ? 6.412 -27.285 10.128 1.00 40.64 ? 109 PRO A CB 1 ATOM 841 C CG . PRO A 1 109 ? 5.832 -26.591 8.900 1.00 50.08 ? 109 PRO A CG 1 ATOM 842 C CD . PRO A 1 109 ? 4.736 -27.482 8.422 1.00 41.02 ? 109 PRO A CD 1 ATOM 843 N N . ILE A 1 110 ? 5.266 -27.884 13.144 1.00 34.46 ? 110 ILE A N 1 ATOM 844 C CA . ILE A 1 110 ? 4.949 -27.383 14.481 1.00 31.60 ? 110 ILE A CA 1 ATOM 845 C C . ILE A 1 110 ? 6.210 -26.920 15.214 1.00 31.99 ? 110 ILE A C 1 ATOM 846 O O . ILE A 1 110 ? 7.230 -27.633 15.230 1.00 35.31 ? 110 ILE A O 1 ATOM 847 C CB . ILE A 1 110 ? 4.254 -28.480 15.335 1.00 32.65 ? 110 ILE A CB 1 ATOM 848 C CG1 . ILE A 1 110 ? 2.859 -28.795 14.780 1.00 39.64 ? 110 ILE A CG1 1 ATOM 849 C CG2 . ILE A 1 110 ? 4.170 -28.051 16.799 1.00 32.74 ? 110 ILE A CG2 1 ATOM 850 C CD1 . ILE A 1 110 ? 2.218 -30.043 15.388 1.00 37.34 ? 110 ILE A CD1 1 ATOM 851 N N . ILE A 1 111 ? 6.146 -25.722 15.781 1.00 31.15 ? 111 ILE A N 1 ATOM 852 C CA . ILE A 1 111 ? 7.177 -25.264 16.705 1.00 34.24 ? 111 ILE A CA 1 ATOM 853 C C . ILE A 1 111 ? 6.604 -25.274 18.125 1.00 28.67 ? 111 ILE A C 1 ATOM 854 O O . ILE A 1 111 ? 5.545 -24.685 18.378 1.00 25.18 ? 111 ILE A O 1 ATOM 855 C CB . ILE A 1 111 ? 7.687 -23.851 16.337 1.00 33.87 ? 111 ILE A CB 1 ATOM 856 C CG1 . ILE A 1 111 ? 8.333 -23.883 14.944 1.00 41.97 ? 111 ILE A CG1 1 ATOM 857 C CG2 . ILE A 1 111 ? 8.683 -23.330 17.385 1.00 31.90 ? 111 ILE A CG2 1 ATOM 858 C CD1 . ILE A 1 111 ? 9.292 -22.749 14.682 1.00 47.26 ? 111 ILE A CD1 1 ATOM 859 N N . LEU A 1 112 ? 7.280 -25.965 19.042 1.00 27.88 ? 112 LEU A N 1 ATOM 860 C CA . LEU A 1 112 ? 6.846 -25.968 20.439 1.00 30.88 ? 112 LEU A CA 1 ATOM 861 C C . LEU A 1 112 ? 7.495 -24.802 21.210 1.00 26.05 ? 112 LEU A C 1 ATOM 862 O O . LEU A 1 112 ? 8.731 -24.712 21.268 1.00 26.62 ? 112 LEU A O 1 ATOM 863 C CB . LEU A 1 112 ? 7.201 -27.315 21.092 1.00 26.89 ? 112 LEU A CB 1 ATOM 864 C CG . LEU A 1 112 ? 6.756 -27.475 22.557 1.00 23.47 ? 112 LEU A CG 1 ATOM 865 C CD1 . LEU A 1 112 ? 5.227 -27.338 22.736 1.00 27.29 ? 112 LEU A CD1 1 ATOM 866 C CD2 . LEU A 1 112 ? 7.312 -28.801 23.148 1.00 24.48 ? 112 LEU A CD2 1 ATOM 867 N N . VAL A 1 113 ? 6.672 -23.933 21.799 1.00 23.34 ? 113 VAL A N 1 ATOM 868 C CA . VAL A 1 113 ? 7.144 -22.721 22.481 1.00 25.43 ? 113 VAL A CA 1 ATOM 869 C C . VAL A 1 113 ? 6.838 -22.722 23.980 1.00 28.37 ? 113 VAL A C 1 ATOM 870 O O . VAL A 1 113 ? 5.670 -22.801 24.377 1.00 24.67 ? 113 VAL A O 1 ATOM 871 C CB . VAL A 1 113 ? 6.516 -21.470 21.850 1.00 26.69 ? 113 VAL A CB 1 ATOM 872 C CG1 . VAL A 1 113 ? 6.959 -20.183 22.603 1.00 23.81 ? 113 VAL A CG1 1 ATOM 873 C CG2 . VAL A 1 113 ? 6.854 -21.401 20.366 1.00 27.86 ? 113 VAL A CG2 1 ATOM 874 N N . GLY A 1 114 ? 7.881 -22.634 24.817 1.00 23.57 ? 114 GLY A N 1 ATOM 875 C CA . GLY A 1 114 ? 7.686 -22.421 26.246 1.00 28.03 ? 114 GLY A CA 1 ATOM 876 C C . GLY A 1 114 ? 7.711 -20.934 26.588 1.00 28.17 ? 114 GLY A C 1 ATOM 877 O O . GLY A 1 114 ? 8.708 -20.245 26.308 1.00 26.19 ? 114 GLY A O 1 ATOM 878 N N . THR A 1 115 ? 6.621 -20.440 27.176 1.00 25.11 ? 115 THR A N 1 ATOM 879 C CA . THR A 1 115 ? 6.464 -19.002 27.477 1.00 24.54 ? 115 THR A CA 1 ATOM 880 C C . THR A 1 115 ? 6.731 -18.655 28.959 1.00 28.15 ? 115 THR A C 1 ATOM 881 O O . THR A 1 115 ? 6.887 -19.535 29.814 1.00 24.93 ? 115 THR A O 1 ATOM 882 C CB . THR A 1 115 ? 5.044 -18.488 27.142 1.00 27.17 ? 115 THR A CB 1 ATOM 883 O OG1 . THR A 1 115 ? 4.093 -19.142 27.995 1.00 27.63 ? 115 THR A OG1 1 ATOM 884 C CG2 . THR A 1 115 ? 4.686 -18.734 25.665 1.00 24.82 ? 115 THR A CG2 1 ATOM 885 N N . LYS A 1 116 ? 6.765 -17.356 29.254 1.00 25.12 ? 116 LYS A N 1 ATOM 886 C CA . LYS A 1 116 ? 7.031 -16.854 30.626 1.00 25.20 ? 116 LYS A CA 1 ATOM 887 C C . LYS A 1 116 ? 8.353 -17.347 31.237 1.00 27.09 ? 116 LYS A C 1 ATOM 888 O O . LYS A 1 116 ? 8.434 -17.680 32.425 1.00 29.31 ? 116 LYS A O 1 ATOM 889 C CB . LYS A 1 116 ? 5.853 -17.203 31.565 1.00 26.19 ? 116 LYS A CB 1 ATOM 890 C CG . LYS A 1 116 ? 4.493 -16.779 30.994 1.00 27.14 ? 116 LYS A CG 1 ATOM 891 C CD . LYS A 1 116 ? 3.374 -16.789 32.048 1.00 25.89 ? 116 LYS A CD 1 ATOM 892 C CE . LYS A 1 116 ? 1.976 -16.664 31.441 1.00 32.62 ? 116 LYS A CE 1 ATOM 893 N NZ . LYS A 1 116 ? 0.909 -16.721 32.492 1.00 30.25 ? 116 LYS A NZ 1 ATOM 894 N N . LEU A 1 117 ? 9.394 -17.367 30.414 1.00 27.41 ? 117 LEU A N 1 ATOM 895 C CA . LEU A 1 117 ? 10.721 -17.813 30.829 1.00 30.10 ? 117 LEU A CA 1 ATOM 896 C C . LEU A 1 117 ? 11.207 -17.037 32.046 1.00 30.36 ? 117 LEU A C 1 ATOM 897 O O . LEU A 1 117 ? 11.842 -17.613 32.939 1.00 27.71 ? 117 LEU A O 1 ATOM 898 C CB . LEU A 1 117 ? 11.705 -17.671 29.665 1.00 28.66 ? 117 LEU A CB 1 ATOM 899 C CG . LEU A 1 117 ? 13.202 -17.956 29.862 1.00 28.15 ? 117 LEU A CG 1 ATOM 900 C CD1 . LEU A 1 117 ? 13.481 -19.403 30.261 1.00 30.08 ? 117 LEU A CD1 1 ATOM 901 C CD2 . LEU A 1 117 ? 13.942 -17.601 28.572 1.00 32.04 ? 117 LEU A CD2 1 ATOM 902 N N . ASP A 1 118 ? 10.877 -15.746 32.109 1.00 27.30 ? 118 ASP A N 1 ATOM 903 C CA . ASP A 1 118 ? 11.308 -14.912 33.244 1.00 30.12 ? 118 ASP A CA 1 ATOM 904 C C . ASP A 1 118 ? 10.827 -15.410 34.615 1.00 33.58 ? 118 ASP A C 1 ATOM 905 O O . ASP A 1 118 ? 11.406 -15.058 35.637 1.00 32.49 ? 118 ASP A O 1 ATOM 906 C CB . ASP A 1 118 ? 10.841 -13.463 33.052 1.00 30.17 ? 118 ASP A CB 1 ATOM 907 C CG . ASP A 1 118 ? 9.337 -13.348 32.902 1.00 34.75 ? 118 ASP A CG 1 ATOM 908 O OD1 . ASP A 1 118 ? 8.806 -13.704 31.819 1.00 29.93 ? 118 ASP A OD1 1 ATOM 909 O OD2 . ASP A 1 118 ? 8.693 -12.900 33.869 1.00 31.41 ? 118 ASP A OD2 1 ATOM 910 N N . LEU A 1 119 ? 9.768 -16.217 34.644 1.00 28.87 ? 119 LEU A N 1 ATOM 911 C CA . LEU A 1 119 ? 9.226 -16.671 35.925 1.00 27.12 ? 119 LEU A CA 1 ATOM 912 C C . LEU A 1 119 ? 9.831 -17.986 36.436 1.00 29.51 ? 119 LEU A C 1 ATOM 913 O O . LEU A 1 119 ? 9.566 -18.373 37.578 1.00 32.93 ? 119 LEU A O 1 ATOM 914 C CB . LEU A 1 119 ? 7.699 -16.821 35.820 1.00 31.11 ? 119 LEU A CB 1 ATOM 915 C CG . LEU A 1 119 ? 6.916 -15.512 35.652 1.00 30.63 ? 119 LEU A CG 1 ATOM 916 C CD1 . LEU A 1 119 ? 5.405 -15.748 35.680 1.00 36.17 ? 119 LEU A CD1 1 ATOM 917 C CD2 . LEU A 1 119 ? 7.311 -14.491 36.709 1.00 30.22 ? 119 LEU A CD2 1 ATOM 918 N N . ARG A 1 120 ? 10.646 -18.669 35.630 1.00 31.16 ? 120 ARG A N 1 ATOM 919 C CA . ARG A 1 120 ? 11.114 -20.004 36.030 1.00 30.37 ? 120 ARG A CA 1 ATOM 920 C C . ARG A 1 120 ? 12.017 -19.952 37.266 1.00 34.92 ? 120 ARG A C 1 ATOM 921 O O . ARG A 1 120 ? 12.006 -20.878 38.094 1.00 31.95 ? 120 ARG A O 1 ATOM 922 C CB . ARG A 1 120 ? 11.839 -20.720 34.865 1.00 25.76 ? 120 ARG A CB 1 ATOM 923 C CG . ARG A 1 120 ? 12.333 -22.127 35.242 1.00 27.53 ? 120 ARG A CG 1 ATOM 924 C CD . ARG A 1 120 ? 12.471 -23.027 33.989 1.00 28.83 ? 120 ARG A CD 1 ATOM 925 N NE . ARG A 1 120 ? 13.517 -22.576 33.068 1.00 34.56 ? 120 ARG A NE 1 ATOM 926 C CZ . ARG A 1 120 ? 13.652 -23.028 31.820 1.00 34.86 ? 120 ARG A CZ 1 ATOM 927 N NH1 . ARG A 1 120 ? 12.810 -23.942 31.350 1.00 26.32 ? 120 ARG A NH1 1 ATOM 928 N NH2 . ARG A 1 120 ? 14.627 -22.575 31.040 1.00 28.54 ? 120 ARG A NH2 1 ATOM 929 N N . ASP A 1 121 ? 12.768 -18.862 37.418 1.00 32.43 ? 121 ASP A N 1 ATOM 930 C CA . ASP A 1 121 ? 13.622 -18.678 38.592 1.00 35.84 ? 121 ASP A CA 1 ATOM 931 C C . ASP A 1 121 ? 13.060 -17.653 39.580 1.00 44.80 ? 121 ASP A C 1 ATOM 932 O O . ASP A 1 121 ? 13.805 -17.100 40.386 1.00 48.40 ? 121 ASP A O 1 ATOM 933 C CB . ASP A 1 121 ? 15.031 -18.241 38.179 1.00 46.04 ? 121 ASP A CB 1 ATOM 934 C CG . ASP A 1 121 ? 15.810 -19.334 37.454 1.00 57.77 ? 121 ASP A CG 1 ATOM 935 O OD1 . ASP A 1 121 ? 15.646 -20.537 37.766 1.00 56.24 ? 121 ASP A OD1 1 ATOM 936 O OD2 . ASP A 1 121 ? 16.608 -18.973 36.567 1.00 54.83 ? 121 ASP A OD2 1 ATOM 937 N N . ASP A 1 122 ? 11.759 -17.384 39.507 1.00 42.76 ? 122 ASP A N 1 ATOM 938 C CA . ASP A 1 122 ? 11.122 -16.435 40.421 1.00 45.23 ? 122 ASP A CA 1 ATOM 939 C C . ASP A 1 122 ? 10.730 -17.100 41.744 1.00 43.43 ? 122 ASP A C 1 ATOM 940 O O . ASP A 1 122 ? 9.977 -18.074 41.747 1.00 40.23 ? 122 ASP A O 1 ATOM 941 C CB . ASP A 1 122 ? 9.890 -15.817 39.760 1.00 43.09 ? 122 ASP A CB 1 ATOM 942 C CG . ASP A 1 122 ? 9.144 -14.870 40.689 1.00 46.64 ? 122 ASP A CG 1 ATOM 943 O OD1 . ASP A 1 122 ? 9.695 -13.796 41.006 1.00 44.65 ? 122 ASP A OD1 1 ATOM 944 O OD2 . ASP A 1 122 ? 8.010 -15.206 41.096 1.00 44.51 ? 122 ASP A OD2 1 ATOM 945 N N . LYS A 1 123 ? 11.223 -16.563 42.863 1.00 43.21 ? 123 LYS A N 1 ATOM 946 C CA . LYS A 1 123 ? 11.060 -17.213 44.167 1.00 37.22 ? 123 LYS A CA 1 ATOM 947 C C . LYS A 1 123 ? 9.597 -17.498 44.531 1.00 43.47 ? 123 LYS A C 1 ATOM 948 O O . LYS A 1 123 ? 9.256 -18.611 44.940 1.00 43.69 ? 123 LYS A O 1 ATOM 949 C CB . LYS A 1 123 ? 11.709 -16.360 45.266 1.00 41.65 ? 123 LYS A CB 1 ATOM 950 N N . ASP A 1 124 ? 8.739 -16.494 44.396 1.00 46.87 ? 124 ASP A N 1 ATOM 951 C CA . ASP A 1 124 ? 7.338 -16.636 44.787 1.00 48.34 ? 124 ASP A CA 1 ATOM 952 C C . ASP A 1 124 ? 6.598 -17.636 43.907 1.00 49.65 ? 124 ASP A C 1 ATOM 953 O O . ASP A 1 124 ? 5.752 -18.397 44.390 1.00 41.07 ? 124 ASP A O 1 ATOM 954 C CB . ASP A 1 124 ? 6.633 -15.283 44.739 1.00 56.68 ? 124 ASP A CB 1 ATOM 955 C CG . ASP A 1 124 ? 6.970 -14.411 45.934 1.00 67.44 ? 124 ASP A CG 1 ATOM 956 O OD1 . ASP A 1 124 ? 7.363 -14.970 46.977 1.00 66.94 ? 124 ASP A OD1 1 ATOM 957 O OD2 . ASP A 1 124 ? 6.837 -13.172 45.836 1.00 75.72 ? 124 ASP A OD2 1 ATOM 958 N N . THR A 1 125 ? 6.907 -17.616 42.613 1.00 40.25 ? 125 THR A N 1 ATOM 959 C CA . THR A 1 125 ? 6.306 -18.552 41.663 1.00 35.77 ? 125 THR A CA 1 ATOM 960 C C . THR A 1 125 ? 6.659 -19.995 42.029 1.00 39.54 ? 125 THR A C 1 ATOM 961 O O . THR A 1 125 ? 5.797 -20.878 42.051 1.00 34.80 ? 125 THR A O 1 ATOM 962 C CB . THR A 1 125 ? 6.767 -18.268 40.210 1.00 40.16 ? 125 THR A CB 1 ATOM 963 O OG1 . THR A 1 125 ? 6.473 -16.905 39.861 1.00 37.87 ? 125 THR A OG1 1 ATOM 964 C CG2 . THR A 1 125 ? 6.065 -19.214 39.221 1.00 33.86 ? 125 THR A CG2 1 ATOM 965 N N . ILE A 1 126 ? 7.934 -20.222 42.321 1.00 37.95 ? 126 ILE A N 1 ATOM 966 C CA . ILE A 1 126 ? 8.423 -21.545 42.676 1.00 40.38 ? 126 ILE A CA 1 ATOM 967 C C . ILE A 1 126 ? 7.737 -22.046 43.947 1.00 39.15 ? 126 ILE A C 1 ATOM 968 O O . ILE A 1 126 ? 7.305 -23.197 44.027 1.00 43.79 ? 126 ILE A O 1 ATOM 969 C CB . ILE A 1 126 ? 9.944 -21.528 42.877 1.00 38.86 ? 126 ILE A CB 1 ATOM 970 C CG1 . ILE A 1 126 ? 10.651 -21.306 41.539 1.00 35.71 ? 126 ILE A CG1 1 ATOM 971 C CG2 . ILE A 1 126 ? 10.421 -22.830 43.527 1.00 42.76 ? 126 ILE A CG2 1 ATOM 972 C CD1 . ILE A 1 126 ? 12.156 -21.182 41.651 1.00 43.07 ? 126 ILE A CD1 1 ATOM 973 N N . GLU A 1 127 ? 7.637 -21.163 44.931 1.00 41.69 ? 127 GLU A N 1 ATOM 974 C CA . GLU A 1 127 ? 7.019 -21.486 46.213 1.00 46.45 ? 127 GLU A CA 1 ATOM 975 C C . GLU A 1 127 ? 5.540 -21.850 46.078 1.00 40.69 ? 127 GLU A C 1 ATOM 976 O O . GLU A 1 127 ? 5.063 -22.779 46.732 1.00 48.73 ? 127 GLU A O 1 ATOM 977 C CB . GLU A 1 127 ? 7.181 -20.306 47.173 1.00 49.20 ? 127 GLU A CB 1 ATOM 978 C CG . GLU A 1 127 ? 6.419 -20.455 48.480 1.00 68.53 ? 127 GLU A CG 1 ATOM 979 C CD . GLU A 1 127 ? 6.957 -21.582 49.334 1.00 79.94 ? 127 GLU A CD 1 ATOM 980 O OE1 . GLU A 1 127 ? 6.160 -22.202 50.069 1.00 89.70 ? 127 GLU A OE1 1 ATOM 981 O OE2 . GLU A 1 127 ? 8.179 -21.843 49.269 1.00 75.42 ? 127 GLU A OE2 1 ATOM 982 N N . LYS A 1 128 ? 4.823 -21.120 45.234 1.00 39.08 ? 128 LYS A N 1 ATOM 983 C CA . LYS A 1 128 ? 3.412 -21.405 44.987 1.00 43.88 ? 128 LYS A CA 1 ATOM 984 C C . LYS A 1 128 ? 3.215 -22.750 44.269 1.00 41.51 ? 128 LYS A C 1 ATOM 985 O O . LYS A 1 128 ? 2.257 -23.474 44.551 1.00 44.47 ? 128 LYS A O 1 ATOM 986 C CB . LYS A 1 128 ? 2.774 -20.272 44.187 1.00 46.54 ? 128 LYS A CB 1 ATOM 987 N N . LEU A 1 129 ? 4.119 -23.085 43.348 1.00 39.49 ? 129 LEU A N 1 ATOM 988 C CA . LEU A 1 129 ? 4.103 -24.406 42.719 1.00 37.31 ? 129 LEU A CA 1 ATOM 989 C C . LEU A 1 129 ? 4.411 -25.497 43.750 1.00 43.15 ? 129 LEU A C 1 ATOM 990 O O . LEU A 1 129 ? 3.772 -26.550 43.756 1.00 42.89 ? 129 LEU A O 1 ATOM 991 C CB . LEU A 1 129 ? 5.100 -24.477 41.552 1.00 32.24 ? 129 LEU A CB 1 ATOM 992 C CG . LEU A 1 129 ? 4.645 -23.800 40.242 1.00 31.79 ? 129 LEU A CG 1 ATOM 993 C CD1 . LEU A 1 129 ? 5.785 -23.677 39.248 1.00 34.48 ? 129 LEU A CD1 1 ATOM 994 C CD2 . LEU A 1 129 ? 3.479 -24.560 39.621 1.00 38.39 ? 129 LEU A CD2 1 ATOM 995 N N . LYS A 1 130 ? 5.378 -25.222 44.626 1.00 38.88 ? 130 LYS A N 1 ATOM 996 C CA . LYS A 1 130 ? 5.794 -26.147 45.678 1.00 42.21 ? 130 LYS A CA 1 ATOM 997 C C . LYS A 1 130 ? 4.611 -26.536 46.571 1.00 49.97 ? 130 LYS A C 1 ATOM 998 O O . LYS A 1 130 ? 4.453 -27.702 46.934 1.00 47.26 ? 130 LYS A O 1 ATOM 999 C CB . LYS A 1 130 ? 6.912 -25.510 46.523 1.00 44.49 ? 130 LYS A CB 1 ATOM 1000 C CG . LYS A 1 130 ? 7.298 -26.270 47.796 1.00 58.59 ? 130 LYS A CG 1 ATOM 1001 C CD . LYS A 1 130 ? 8.357 -27.327 47.539 1.00 64.08 ? 130 LYS A CD 1 ATOM 1002 C CE . LYS A 1 130 ? 9.136 -27.669 48.815 1.00 74.20 ? 130 LYS A CE 1 ATOM 1003 N NZ . LYS A 1 130 ? 8.260 -28.084 49.952 1.00 80.98 ? 130 LYS A NZ 1 ATOM 1004 N N . GLU A 1 131 ? 3.782 -25.551 46.913 1.00 49.46 ? 131 GLU A N 1 ATOM 1005 C CA . GLU A 1 131 ? 2.619 -25.780 47.764 1.00 57.52 ? 131 GLU A CA 1 ATOM 1006 C C . GLU A 1 131 ? 1.655 -26.780 47.130 1.00 57.52 ? 131 GLU A C 1 ATOM 1007 O O . GLU A 1 131 ? 0.835 -27.390 47.818 1.00 61.45 ? 131 GLU A O 1 ATOM 1008 C CB . GLU A 1 131 ? 1.901 -24.457 48.054 1.00 68.68 ? 131 GLU A CB 1 ATOM 1009 C CG . GLU A 1 131 ? 2.678 -23.517 48.971 1.00 77.21 ? 131 GLU A CG 1 ATOM 1010 C CD . GLU A 1 131 ? 2.134 -22.096 48.958 1.00 82.80 ? 131 GLU A CD 1 ATOM 1011 O OE1 . GLU A 1 131 ? 1.172 -21.825 48.208 1.00 79.41 ? 131 GLU A OE1 1 ATOM 1012 O OE2 . GLU A 1 131 ? 2.677 -21.248 49.699 1.00 87.15 ? 131 GLU A OE2 1 ATOM 1013 N N . LYS A 1 132 ? 1.772 -26.953 45.818 1.00 49.16 ? 132 LYS A N 1 ATOM 1014 C CA . LYS A 1 132 ? 0.930 -27.885 45.076 1.00 47.37 ? 132 LYS A CA 1 ATOM 1015 C C . LYS A 1 132 ? 1.713 -29.127 44.631 1.00 49.34 ? 132 LYS A C 1 ATOM 1016 O O . LYS A 1 132 ? 1.271 -29.872 43.752 1.00 49.84 ? 132 LYS A O 1 ATOM 1017 C CB . LYS A 1 132 ? 0.314 -27.180 43.862 1.00 49.86 ? 132 LYS A CB 1 ATOM 1018 N N . LYS A 1 133 ? 2.874 -29.350 45.242 1.00 43.28 ? 133 LYS A N 1 ATOM 1019 C CA . LYS A 1 133 ? 3.720 -30.486 44.877 1.00 46.89 ? 133 LYS A CA 1 ATOM 1020 C C . LYS A 1 133 ? 4.086 -30.487 43.385 1.00 48.87 ? 133 LYS A C 1 ATOM 1021 O O . LYS A 1 133 ? 4.088 -31.533 42.730 1.00 48.88 ? 133 LYS A O 1 ATOM 1022 C CB . LYS A 1 133 ? 3.032 -31.803 45.251 1.00 46.41 ? 133 LYS A CB 1 ATOM 1023 C CG . LYS A 1 133 ? 2.519 -31.863 46.699 1.00 58.90 ? 133 LYS A CG 1 ATOM 1024 C CD . LYS A 1 133 ? 3.477 -31.173 47.652 1.00 67.85 ? 133 LYS A CD 1 ATOM 1025 C CE . LYS A 1 133 ? 2.906 -31.096 49.068 1.00 83.65 ? 133 LYS A CE 1 ATOM 1026 N NZ . LYS A 1 133 ? 3.755 -30.269 49.979 1.00 83.88 ? 133 LYS A NZ 1 ATOM 1027 N N . LEU A 1 134 ? 4.397 -29.308 42.855 1.00 39.75 ? 134 LEU A N 1 ATOM 1028 C CA . LEU A 1 134 ? 4.853 -29.169 41.472 1.00 39.13 ? 134 LEU A CA 1 ATOM 1029 C C . LEU A 1 134 ? 6.156 -28.362 41.403 1.00 39.39 ? 134 LEU A C 1 ATOM 1030 O O . LEU A 1 134 ? 6.571 -27.733 42.384 1.00 39.55 ? 134 LEU A O 1 ATOM 1031 C CB . LEU A 1 134 ? 3.772 -28.500 40.612 1.00 41.53 ? 134 LEU A CB 1 ATOM 1032 C CG . LEU A 1 134 ? 2.455 -29.270 40.445 1.00 45.13 ? 134 LEU A CG 1 ATOM 1033 C CD1 . LEU A 1 134 ? 1.380 -28.400 39.829 1.00 42.35 ? 134 LEU A CD1 1 ATOM 1034 C CD2 . LEU A 1 134 ? 2.667 -30.519 39.602 1.00 52.21 ? 134 LEU A CD2 1 ATOM 1035 N N . THR A 1 135 ? 6.802 -28.404 40.242 1.00 35.18 ? 135 THR A N 1 ATOM 1036 C CA . THR A 1 135 ? 7.978 -27.586 39.953 1.00 35.12 ? 135 THR A CA 1 ATOM 1037 C C . THR A 1 135 ? 7.855 -27.069 38.529 1.00 34.94 ? 135 THR A C 1 ATOM 1038 O O . THR A 1 135 ? 7.032 -27.573 37.762 1.00 31.28 ? 135 THR A O 1 ATOM 1039 C CB . THR A 1 135 ? 9.297 -28.378 40.107 1.00 38.66 ? 135 THR A CB 1 ATOM 1040 O OG1 . THR A 1 135 ? 9.294 -29.510 39.222 1.00 36.56 ? 135 THR A OG1 1 ATOM 1041 C CG2 . THR A 1 135 ? 9.481 -28.866 41.541 1.00 34.74 ? 135 THR A CG2 1 ATOM 1042 N N . PRO A 1 136 ? 8.651 -26.047 38.168 1.00 33.24 ? 136 PRO A N 1 ATOM 1043 C CA . PRO A 1 136 ? 8.614 -25.550 36.789 1.00 30.53 ? 136 PRO A CA 1 ATOM 1044 C C . PRO A 1 136 ? 9.087 -26.577 35.755 1.00 28.66 ? 136 PRO A C 1 ATOM 1045 O O . PRO A 1 136 ? 9.801 -27.518 36.089 1.00 29.20 ? 136 PRO A O 1 ATOM 1046 C CB . PRO A 1 136 ? 9.563 -24.344 36.821 1.00 30.62 ? 136 PRO A CB 1 ATOM 1047 C CG . PRO A 1 136 ? 9.589 -23.917 38.273 1.00 30.19 ? 136 PRO A CG 1 ATOM 1048 C CD . PRO A 1 136 ? 9.452 -25.186 39.061 1.00 31.20 ? 136 PRO A CD 1 ATOM 1049 N N . ILE A 1 137 ? 8.667 -26.382 34.509 1.00 26.14 ? 137 ILE A N 1 ATOM 1050 C CA . ILE A 1 137 ? 9.101 -27.214 33.381 1.00 25.92 ? 137 ILE A CA 1 ATOM 1051 C C . ILE A 1 137 ? 10.502 -26.790 32.948 1.00 24.60 ? 137 ILE A C 1 ATOM 1052 O O . ILE A 1 137 ? 10.710 -25.615 32.596 1.00 27.29 ? 137 ILE A O 1 ATOM 1053 C CB . ILE A 1 137 ? 8.120 -27.089 32.179 1.00 27.52 ? 137 ILE A CB 1 ATOM 1054 C CG1 . ILE A 1 137 ? 6.684 -27.412 32.612 1.00 27.48 ? 137 ILE A CG1 1 ATOM 1055 C CG2 . ILE A 1 137 ? 8.594 -27.961 30.984 1.00 23.91 ? 137 ILE A CG2 1 ATOM 1056 C CD1 . ILE A 1 137 ? 6.496 -28.797 33.210 1.00 28.97 ? 137 ILE A CD1 1 ATOM 1057 N N . THR A 1 138 ? 11.450 -27.728 32.952 1.00 24.75 ? 138 THR A N 1 ATOM 1058 C CA . THR A 1 138 ? 12.823 -27.416 32.551 1.00 30.34 ? 138 THR A CA 1 ATOM 1059 C C . THR A 1 138 ? 13.121 -27.817 31.105 1.00 30.20 ? 138 THR A C 1 ATOM 1060 O O . THR A 1 138 ? 12.308 -28.481 30.453 1.00 27.55 ? 138 THR A O 1 ATOM 1061 C CB . THR A 1 138 ? 13.839 -28.092 33.489 1.00 26.30 ? 138 THR A CB 1 ATOM 1062 O OG1 . THR A 1 138 ? 13.755 -29.518 33.352 1.00 30.79 ? 138 THR A OG1 1 ATOM 1063 C CG2 . THR A 1 138 ? 13.548 -27.715 34.946 1.00 31.20 ? 138 THR A CG2 1 ATOM 1064 N N . TYR A 1 139 ? 14.280 -27.383 30.609 1.00 27.00 ? 139 TYR A N 1 ATOM 1065 C CA . TYR A 1 139 ? 14.649 -27.540 29.199 1.00 34.84 ? 139 TYR A CA 1 ATOM 1066 C C . TYR A 1 139 ? 14.548 -28.988 28.670 1.00 30.67 ? 139 TYR A C 1 ATOM 1067 O O . TYR A 1 139 ? 13.972 -29.220 27.614 1.00 30.32 ? 139 TYR A O 1 ATOM 1068 C CB . TYR A 1 139 ? 16.072 -27.005 28.971 1.00 31.67 ? 139 TYR A CB 1 ATOM 1069 C CG . TYR A 1 139 ? 16.391 -26.750 27.504 1.00 36.10 ? 139 TYR A CG 1 ATOM 1070 C CD1 . TYR A 1 139 ? 15.881 -25.629 26.846 1.00 31.39 ? 139 TYR A CD1 1 ATOM 1071 C CD2 . TYR A 1 139 ? 17.185 -27.636 26.781 1.00 35.69 ? 139 TYR A CD2 1 ATOM 1072 C CE1 . TYR A 1 139 ? 16.168 -25.395 25.492 1.00 31.68 ? 139 TYR A CE1 1 ATOM 1073 C CE2 . TYR A 1 139 ? 17.483 -27.406 25.438 1.00 44.87 ? 139 TYR A CE2 1 ATOM 1074 C CZ . TYR A 1 139 ? 16.971 -26.286 24.801 1.00 38.47 ? 139 TYR A CZ 1 ATOM 1075 O OH . TYR A 1 139 ? 17.265 -26.063 23.467 1.00 34.05 ? 139 TYR A OH 1 ATOM 1076 N N . PRO A 1 140 ? 15.093 -29.972 29.404 1.00 28.82 ? 140 PRO A N 1 ATOM 1077 C CA . PRO A 1 140 ? 15.002 -31.337 28.861 1.00 31.41 ? 140 PRO A CA 1 ATOM 1078 C C . PRO A 1 140 ? 13.562 -31.877 28.768 1.00 30.77 ? 140 PRO A C 1 ATOM 1079 O O . PRO A 1 140 ? 13.301 -32.751 27.938 1.00 31.00 ? 140 PRO A O 1 ATOM 1080 C CB . PRO A 1 140 ? 15.840 -32.167 29.843 1.00 29.21 ? 140 PRO A CB 1 ATOM 1081 C CG . PRO A 1 140 ? 15.873 -31.334 31.125 1.00 32.48 ? 140 PRO A CG 1 ATOM 1082 C CD . PRO A 1 140 ? 15.885 -29.908 30.648 1.00 28.37 ? 140 PRO A CD 1 ATOM 1083 N N . GLN A 1 141 ? 12.651 -31.384 29.598 1.00 30.03 ? 141 GLN A N 1 ATOM 1084 C CA . GLN A 1 141 ? 11.240 -31.764 29.477 1.00 28.73 ? 141 GLN A CA 1 ATOM 1085 C C . GLN A 1 141 ? 10.664 -31.215 28.172 1.00 29.10 ? 141 GLN A C 1 ATOM 1086 O O . GLN A 1 141 ? 9.921 -31.909 27.464 1.00 28.14 ? 141 GLN A O 1 ATOM 1087 C CB . GLN A 1 141 ? 10.424 -31.260 30.679 1.00 26.12 ? 141 GLN A CB 1 ATOM 1088 C CG . GLN A 1 141 ? 10.776 -31.964 32.002 1.00 29.95 ? 141 GLN A CG 1 ATOM 1089 C CD . GLN A 1 141 ? 10.032 -31.364 33.183 1.00 37.29 ? 141 GLN A CD 1 ATOM 1090 O OE1 . GLN A 1 141 ? 10.516 -30.431 33.822 1.00 36.25 ? 141 GLN A OE1 1 ATOM 1091 N NE2 . GLN A 1 141 ? 8.853 -31.901 33.481 1.00 39.47 ? 141 GLN A NE2 1 ATOM 1092 N N . GLY A 1 142 ? 10.994 -29.960 27.868 1.00 29.05 ? 142 GLY A N 1 ATOM 1093 C CA . GLY A 1 142 ? 10.611 -29.346 26.603 1.00 27.84 ? 142 GLY A CA 1 ATOM 1094 C C . GLY A 1 142 ? 11.127 -30.137 25.407 1.00 26.57 ? 142 GLY A C 1 ATOM 1095 O O . GLY A 1 142 ? 10.375 -30.430 24.479 1.00 29.17 ? 142 GLY A O 1 ATOM 1096 N N . LEU A 1 143 ? 12.416 -30.477 25.416 1.00 28.40 ? 143 LEU A N 1 ATOM 1097 C CA . LEU A 1 143 ? 13.009 -31.254 24.327 1.00 27.31 ? 143 LEU A CA 1 ATOM 1098 C C . LEU A 1 143 ? 12.318 -32.601 24.124 1.00 36.29 ? 143 LEU A C 1 ATOM 1099 O O . LEU A 1 143 ? 12.110 -33.042 22.989 1.00 36.36 ? 143 LEU A O 1 ATOM 1100 C CB . LEU A 1 143 ? 14.500 -31.500 24.585 1.00 33.35 ? 143 LEU A CB 1 ATOM 1101 C CG . LEU A 1 143 ? 15.494 -30.347 24.492 1.00 31.01 ? 143 LEU A CG 1 ATOM 1102 C CD1 . LEU A 1 143 ? 16.884 -30.851 24.908 1.00 32.05 ? 143 LEU A CD1 1 ATOM 1103 C CD2 . LEU A 1 143 ? 15.532 -29.768 23.063 1.00 30.53 ? 143 LEU A CD2 1 ATOM 1104 N N . ALA A 1 144 ? 12.010 -33.277 25.228 1.00 31.58 ? 144 ALA A N 1 ATOM 1105 C CA . ALA A 1 144 ? 11.361 -34.580 25.163 1.00 29.18 ? 144 ALA A CA 1 ATOM 1106 C C . ALA A 1 144 ? 9.949 -34.468 24.580 1.00 29.98 ? 144 ALA A C 1 ATOM 1107 O O . ALA A 1 144 ? 9.542 -35.322 23.780 1.00 35.22 ? 144 ALA A O 1 ATOM 1108 C CB . ALA A 1 144 ? 11.314 -35.218 26.542 1.00 32.10 ? 144 ALA A CB 1 ATOM 1109 N N . MET A 1 145 ? 9.212 -33.435 24.996 1.00 27.71 ? 145 MET A N 1 ATOM 1110 C CA . MET A 1 145 ? 7.846 -33.225 24.520 1.00 30.40 ? 145 MET A CA 1 ATOM 1111 C C . MET A 1 145 ? 7.873 -32.937 23.029 1.00 34.44 ? 145 MET A C 1 ATOM 1112 O O . MET A 1 145 ? 7.049 -33.468 22.274 1.00 34.87 ? 145 MET A O 1 ATOM 1113 C CB . MET A 1 145 ? 7.148 -32.082 25.283 1.00 25.69 ? 145 MET A CB 1 ATOM 1114 C CG . MET A 1 145 ? 5.658 -31.830 24.889 1.00 29.33 ? 145 MET A CG 1 ATOM 1115 S SD . MET A 1 145 ? 4.512 -33.205 25.241 1.00 32.31 ? 145 MET A SD 1 ATOM 1116 C CE . MET A 1 145 ? 4.196 -32.974 27.005 1.00 32.65 ? 145 MET A CE 1 ATOM 1117 N N . ALA A 1 146 ? 8.815 -32.101 22.598 1.00 28.59 ? 146 ALA A N 1 ATOM 1118 C CA . ALA A 1 146 ? 8.935 -31.780 21.169 1.00 32.53 ? 146 ALA A CA 1 ATOM 1119 C C . ALA A 1 146 ? 9.209 -33.034 20.330 1.00 37.73 ? 146 ALA A C 1 ATOM 1120 O O . ALA A 1 146 ? 8.653 -33.202 19.243 1.00 34.03 ? 146 ALA A O 1 ATOM 1121 C CB . ALA A 1 146 ? 10.028 -30.731 20.939 1.00 31.06 ? 146 ALA A CB 1 ATOM 1122 N N . LYS A 1 147 ? 10.061 -33.923 20.831 1.00 33.59 ? 147 LYS A N 1 ATOM 1123 C CA . LYS A 1 147 ? 10.350 -35.150 20.120 1.00 31.99 ? 147 LYS A CA 1 ATOM 1124 C C . LYS A 1 147 ? 9.104 -36.027 20.024 1.00 37.95 ? 147 LYS A C 1 ATOM 1125 O O . LYS A 1 147 ? 8.836 -36.632 18.987 1.00 39.13 ? 147 LYS A O 1 ATOM 1126 C CB . LYS A 1 147 ? 11.485 -35.918 20.806 1.00 33.01 ? 147 LYS A CB 1 ATOM 1127 C CG . LYS A 1 147 ? 11.701 -37.313 20.247 1.00 37.43 ? 147 LYS A CG 1 ATOM 1128 C CD . LYS A 1 147 ? 13.070 -37.858 20.615 1.00 44.52 ? 147 LYS A CD 1 ATOM 1129 C CE . LYS A 1 147 ? 13.258 -39.257 20.036 1.00 50.71 ? 147 LYS A CE 1 ATOM 1130 N NZ . LYS A 1 147 ? 14.631 -39.777 20.281 1.00 62.20 ? 147 LYS A NZ 1 ATOM 1131 N N . GLU A 1 148 ? 8.343 -36.090 21.107 1.00 35.02 ? 148 GLU A N 1 ATOM 1132 C CA . GLU A 1 148 ? 7.128 -36.888 21.141 1.00 40.38 ? 148 GLU A CA 1 ATOM 1133 C C . GLU A 1 148 ? 6.113 -36.456 20.080 1.00 46.08 ? 148 GLU A C 1 ATOM 1134 O O . GLU A 1 148 ? 5.524 -37.297 19.401 1.00 47.67 ? 148 GLU A O 1 ATOM 1135 C CB . GLU A 1 148 ? 6.484 -36.804 22.517 1.00 41.12 ? 148 GLU A CB 1 ATOM 1136 C CG . GLU A 1 148 ? 5.322 -37.745 22.702 1.00 52.16 ? 148 GLU A CG 1 ATOM 1137 C CD . GLU A 1 148 ? 5.026 -38.012 24.163 1.00 63.39 ? 148 GLU A CD 1 ATOM 1138 O OE1 . GLU A 1 148 ? 5.726 -37.443 25.028 1.00 57.63 ? 148 GLU A OE1 1 ATOM 1139 O OE2 . GLU A 1 148 ? 4.098 -38.799 24.445 1.00 73.17 ? 148 GLU A OE2 1 ATOM 1140 N N . ILE A 1 149 ? 5.912 -35.150 19.938 1.00 42.76 ? 149 ILE A N 1 ATOM 1141 C CA . ILE A 1 149 ? 4.893 -34.644 19.020 1.00 43.17 ? 149 ILE A CA 1 ATOM 1142 C C . ILE A 1 149 ? 5.446 -34.313 17.629 1.00 41.97 ? 149 ILE A C 1 ATOM 1143 O O . ILE A 1 149 ? 4.704 -33.845 16.761 1.00 39.84 ? 149 ILE A O 1 ATOM 1144 C CB . ILE A 1 149 ? 4.189 -33.400 19.589 1.00 35.49 ? 149 ILE A CB 1 ATOM 1145 C CG1 . ILE A 1 149 ? 5.112 -32.168 19.597 1.00 32.14 ? 149 ILE A CG1 1 ATOM 1146 C CG2 . ILE A 1 149 ? 3.673 -33.678 21.004 1.00 36.57 ? 149 ILE A CG2 1 ATOM 1147 C CD1 . ILE A 1 149 ? 4.380 -30.873 19.987 1.00 28.93 ? 149 ILE A CD1 1 ATOM 1148 N N . GLY A 1 150 ? 6.738 -34.560 17.422 1.00 36.87 ? 150 GLY A N 1 ATOM 1149 C CA . GLY A 1 150 ? 7.365 -34.338 16.129 1.00 36.33 ? 150 GLY A CA 1 ATOM 1150 C C . GLY A 1 150 ? 7.524 -32.871 15.750 1.00 35.67 ? 150 GLY A C 1 ATOM 1151 O O . GLY A 1 150 ? 7.489 -32.523 14.567 1.00 35.31 ? 150 GLY A O 1 ATOM 1152 N N . ALA A 1 151 ? 7.689 -32.008 16.754 1.00 33.58 ? 151 ALA A N 1 ATOM 1153 C CA . ALA A 1 151 ? 7.942 -30.590 16.517 1.00 31.65 ? 151 ALA A CA 1 ATOM 1154 C C . ALA A 1 151 ? 9.308 -30.401 15.858 1.00 31.60 ? 151 ALA A C 1 ATOM 1155 O O . ALA A 1 151 ? 10.262 -31.123 16.184 1.00 36.21 ? 151 ALA A O 1 ATOM 1156 C CB . ALA A 1 151 ? 7.848 -29.799 17.846 1.00 26.97 ? 151 ALA A CB 1 ATOM 1157 N N . VAL A 1 152 ? 9.413 -29.457 14.921 1.00 32.54 ? 152 VAL A N 1 ATOM 1158 C CA . VAL A 1 152 ? 10.686 -29.251 14.222 1.00 34.79 ? 152 VAL A CA 1 ATOM 1159 C C . VAL A 1 152 ? 11.677 -28.435 15.073 1.00 33.46 ? 152 VAL A C 1 ATOM 1160 O O . VAL A 1 152 ? 12.884 -28.505 14.843 1.00 38.35 ? 152 VAL A O 1 ATOM 1161 C CB . VAL A 1 152 ? 10.492 -28.582 12.828 1.00 41.94 ? 152 VAL A CB 1 ATOM 1162 C CG1 . VAL A 1 152 ? 9.557 -29.415 11.965 1.00 46.97 ? 152 VAL A CG1 1 ATOM 1163 C CG2 . VAL A 1 152 ? 9.961 -27.157 12.949 1.00 33.03 ? 152 VAL A CG2 1 ATOM 1164 N N . LYS A 1 153 ? 11.177 -27.699 16.070 1.00 30.11 ? 153 LYS A N 1 ATOM 1165 C CA . LYS A 1 153 ? 12.022 -26.992 17.048 1.00 31.00 ? 153 LYS A CA 1 ATOM 1166 C C . LYS A 1 153 ? 11.312 -26.869 18.399 1.00 36.56 ? 153 LYS A C 1 ATOM 1167 O O . LYS A 1 153 ? 10.075 -26.809 18.452 1.00 29.58 ? 153 LYS A O 1 ATOM 1168 C CB . LYS A 1 153 ? 12.376 -25.575 16.577 1.00 35.94 ? 153 LYS A CB 1 ATOM 1169 C CG . LYS A 1 153 ? 13.180 -25.465 15.312 1.00 48.44 ? 153 LYS A CG 1 ATOM 1170 C CD . LYS A 1 153 ? 14.672 -25.554 15.605 1.00 54.98 ? 153 LYS A CD 1 ATOM 1171 C CE . LYS A 1 153 ? 15.471 -25.344 14.332 1.00 58.34 ? 153 LYS A CE 1 ATOM 1172 N NZ . LYS A 1 153 ? 16.907 -25.693 14.507 1.00 63.95 ? 153 LYS A NZ 1 ATOM 1173 N N . TYR A 1 154 ? 12.102 -26.815 19.472 1.00 29.46 ? 154 TYR A N 1 ATOM 1174 C CA . TYR A 1 154 ? 11.630 -26.375 20.790 1.00 29.63 ? 154 TYR A CA 1 ATOM 1175 C C . TYR A 1 154 ? 12.333 -25.064 21.156 1.00 27.04 ? 154 TYR A C 1 ATOM 1176 O O . TYR A 1 154 ? 13.568 -24.986 21.085 1.00 30.96 ? 154 TYR A O 1 ATOM 1177 C CB . TYR A 1 154 ? 11.899 -27.439 21.880 1.00 28.84 ? 154 TYR A CB 1 ATOM 1178 C CG . TYR A 1 154 ? 11.650 -26.930 23.307 1.00 28.99 ? 154 TYR A CG 1 ATOM 1179 C CD1 . TYR A 1 154 ? 10.375 -26.568 23.718 1.00 24.85 ? 154 TYR A CD1 1 ATOM 1180 C CD2 . TYR A 1 154 ? 12.687 -26.833 24.244 1.00 32.31 ? 154 TYR A CD2 1 ATOM 1181 C CE1 . TYR A 1 154 ? 10.126 -26.089 25.000 1.00 27.10 ? 154 TYR A CE1 1 ATOM 1182 C CE2 . TYR A 1 154 ? 12.445 -26.373 25.541 1.00 30.03 ? 154 TYR A CE2 1 ATOM 1183 C CZ . TYR A 1 154 ? 11.152 -25.993 25.907 1.00 29.58 ? 154 TYR A CZ 1 ATOM 1184 O OH . TYR A 1 154 ? 10.874 -25.533 27.179 1.00 28.40 ? 154 TYR A OH 1 ATOM 1185 N N . LEU A 1 155 ? 11.559 -24.051 21.548 1.00 27.66 ? 155 LEU A N 1 ATOM 1186 C CA . LEU A 1 155 ? 12.092 -22.716 21.875 1.00 28.31 ? 155 LEU A CA 1 ATOM 1187 C C . LEU A 1 155 ? 11.468 -22.135 23.149 1.00 27.92 ? 155 LEU A C 1 ATOM 1188 O O . LEU A 1 155 ? 10.267 -22.281 23.376 1.00 31.46 ? 155 LEU A O 1 ATOM 1189 C CB . LEU A 1 155 ? 11.861 -21.749 20.700 1.00 30.01 ? 155 LEU A CB 1 ATOM 1190 C CG . LEU A 1 155 ? 12.583 -22.078 19.382 1.00 31.44 ? 155 LEU A CG 1 ATOM 1191 C CD1 . LEU A 1 155 ? 12.109 -21.167 18.230 1.00 33.07 ? 155 LEU A CD1 1 ATOM 1192 C CD2 . LEU A 1 155 ? 14.125 -22.041 19.507 1.00 35.50 ? 155 LEU A CD2 1 ATOM 1193 N N . GLU A 1 156 ? 12.276 -21.454 23.965 1.00 26.54 ? 156 GLU A N 1 ATOM 1194 C CA . GLU A 1 156 ? 11.769 -20.794 25.183 1.00 23.52 ? 156 GLU A CA 1 ATOM 1195 C C . GLU A 1 156 ? 11.858 -19.271 25.049 1.00 29.14 ? 156 GLU A C 1 ATOM 1196 O O . GLU A 1 156 ? 12.794 -18.775 24.426 1.00 28.44 ? 156 GLU A O 1 ATOM 1197 C CB . GLU A 1 156 ? 12.557 -21.274 26.408 1.00 23.55 ? 156 GLU A CB 1 ATOM 1198 C CG . GLU A 1 156 ? 12.463 -22.782 26.627 1.00 24.64 ? 156 GLU A CG 1 ATOM 1199 C CD . GLU A 1 156 ? 13.252 -23.289 27.834 1.00 31.37 ? 156 GLU A CD 1 ATOM 1200 O OE1 . GLU A 1 156 ? 14.206 -22.613 28.271 1.00 31.81 ? 156 GLU A OE1 1 ATOM 1201 O OE2 . GLU A 1 156 ? 12.931 -24.391 28.335 1.00 32.35 ? 156 GLU A OE2 1 ATOM 1202 N N . CYS A 1 157 ? 10.889 -18.530 25.601 1.00 23.81 ? 157 CYS A N 1 ATOM 1203 C CA . CYS A 1 157 ? 10.917 -17.066 25.503 1.00 21.63 ? 157 CYS A CA 1 ATOM 1204 C C . CYS A 1 157 ? 10.146 -16.383 26.620 1.00 27.49 ? 157 CYS A C 1 ATOM 1205 O O . CYS A 1 157 ? 9.417 -17.034 27.380 1.00 27.53 ? 157 CYS A O 1 ATOM 1206 C CB . CYS A 1 157 ? 10.352 -16.591 24.154 1.00 23.67 ? 157 CYS A CB 1 ATOM 1207 S SG . CYS A 1 157 ? 8.556 -16.843 23.953 1.00 29.49 ? 157 CYS A SG 1 ATOM 1208 N N . SER A 1 158 ? 10.320 -15.063 26.699 1.00 26.39 ? 158 SER A N 1 ATOM 1209 C CA . SER A 1 158 ? 9.576 -14.198 27.618 1.00 26.20 ? 158 SER A CA 1 ATOM 1210 C C . SER A 1 158 ? 9.035 -12.980 26.868 1.00 29.52 ? 158 SER A C 1 ATOM 1211 O O . SER A 1 158 ? 9.806 -12.205 26.284 1.00 28.64 ? 158 SER A O 1 ATOM 1212 C CB . SER A 1 158 ? 10.479 -13.750 28.794 1.00 27.65 ? 158 SER A CB 1 ATOM 1213 O OG . SER A 1 158 ? 9.863 -12.705 29.560 1.00 28.38 ? 158 SER A OG 1 ATOM 1214 N N . ALA A 1 159 ? 7.711 -12.809 26.878 1.00 29.23 ? 159 ALA A N 1 ATOM 1215 C CA . ALA A 1 159 ? 7.099 -11.599 26.349 1.00 27.74 ? 159 ALA A CA 1 ATOM 1216 C C . ALA A 1 159 ? 7.490 -10.372 27.190 1.00 25.44 ? 159 ALA A C 1 ATOM 1217 O O . ALA A 1 159 ? 7.547 -9.239 26.679 1.00 27.46 ? 159 ALA A O 1 ATOM 1218 C CB . ALA A 1 159 ? 5.557 -11.750 26.299 1.00 30.50 ? 159 ALA A CB 1 ATOM 1219 N N A LEU A 1 160 ? 7.741 -10.602 28.476 0.52 25.07 ? 160 LEU A N 1 ATOM 1220 N N B LEU A 1 160 ? 7.735 -10.603 28.477 0.48 25.10 ? 160 LEU A N 1 ATOM 1221 C CA A LEU A 1 160 ? 8.018 -9.522 29.422 0.52 27.47 ? 160 LEU A CA 1 ATOM 1222 C CA B LEU A 1 160 ? 8.023 -9.527 29.421 0.48 27.42 ? 160 LEU A CA 1 ATOM 1223 C C A LEU A 1 160 ? 9.386 -8.875 29.182 0.52 28.11 ? 160 LEU A C 1 ATOM 1224 C C B LEU A 1 160 ? 9.385 -8.876 29.171 0.48 28.12 ? 160 LEU A C 1 ATOM 1225 O O A LEU A 1 160 ? 9.490 -7.645 29.086 0.52 29.45 ? 160 LEU A O 1 ATOM 1226 O O B LEU A 1 160 ? 9.484 -7.648 29.057 0.48 29.33 ? 160 LEU A O 1 ATOM 1227 C CB A LEU A 1 160 ? 7.936 -10.054 30.859 0.52 29.66 ? 160 LEU A CB 1 ATOM 1228 C CB B LEU A 1 160 ? 7.965 -10.058 30.859 0.48 29.45 ? 160 LEU A CB 1 ATOM 1229 C CG A LEU A 1 160 ? 7.983 -9.096 32.059 0.52 28.95 ? 160 LEU A CG 1 ATOM 1230 C CG B LEU A 1 160 ? 8.257 -9.071 31.996 0.48 29.01 ? 160 LEU A CG 1 ATOM 1231 C CD1 A LEU A 1 160 ? 9.381 -8.525 32.284 0.52 31.79 ? 160 LEU A CD1 1 ATOM 1232 C CD1 B LEU A 1 160 ? 7.170 -8.030 32.092 0.48 34.02 ? 160 LEU A CD1 1 ATOM 1233 C CD2 A LEU A 1 160 ? 6.962 -7.989 31.915 0.52 37.34 ? 160 LEU A CD2 1 ATOM 1234 C CD2 B LEU A 1 160 ? 8.431 -9.789 33.335 0.48 27.80 ? 160 LEU A CD2 1 ATOM 1235 N N . THR A 1 161 ? 10.420 -9.710 29.096 1.00 27.70 ? 161 THR A N 1 ATOM 1236 C CA . THR A 1 161 ? 11.805 -9.255 28.907 1.00 32.06 ? 161 THR A CA 1 ATOM 1237 C C . THR A 1 161 ? 12.234 -9.240 27.429 1.00 38.67 ? 161 THR A C 1 ATOM 1238 O O . THR A 1 161 ? 13.256 -8.640 27.078 1.00 31.10 ? 161 THR A O 1 ATOM 1239 C CB . THR A 1 161 ? 12.822 -10.154 29.670 1.00 35.35 ? 161 THR A CB 1 ATOM 1240 O OG1 . THR A 1 161 ? 12.840 -11.463 29.086 1.00 27.63 ? 161 THR A OG1 1 ATOM 1241 C CG2 . THR A 1 161 ? 12.461 -10.285 31.146 1.00 34.60 ? 161 THR A CG2 1 ATOM 1242 N N . GLN A 1 162 ? 11.439 -9.917 26.599 1.00 27.85 ? 162 GLN A N 1 ATOM 1243 C CA . GLN A 1 162 ? 11.689 -10.144 25.157 1.00 32.67 ? 162 GLN A CA 1 ATOM 1244 C C . GLN A 1 162 ? 12.828 -11.123 24.857 1.00 36.31 ? 162 GLN A C 1 ATOM 1245 O O . GLN A 1 162 ? 13.156 -11.365 23.688 1.00 32.55 ? 162 GLN A O 1 ATOM 1246 C CB . GLN A 1 162 ? 11.916 -8.811 24.445 1.00 38.19 ? 162 GLN A CB 1 ATOM 1247 C CG . GLN A 1 162 ? 10.622 -7.995 24.444 1.00 35.13 ? 162 GLN A CG 1 ATOM 1248 C CD . GLN A 1 162 ? 10.611 -6.839 23.474 1.00 46.59 ? 162 GLN A CD 1 ATOM 1249 O OE1 . GLN A 1 162 ? 10.376 -5.697 23.863 1.00 56.46 ? 162 GLN A OE1 1 ATOM 1250 N NE2 . GLN A 1 162 ? 10.829 -7.130 22.197 1.00 44.46 ? 162 GLN A NE2 1 ATOM 1251 N N . ARG A 1 163 ? 13.403 -11.722 25.900 1.00 30.67 ? 163 ARG A N 1 ATOM 1252 C CA . ARG A 1 163 ? 14.439 -12.746 25.706 1.00 31.42 ? 163 ARG A CA 1 ATOM 1253 C C . ARG A 1 163 ? 13.897 -13.904 24.867 1.00 38.02 ? 163 ARG A C 1 ATOM 1254 O O . ARG A 1 163 ? 12.857 -14.475 25.196 1.00 31.91 ? 163 ARG A O 1 ATOM 1255 C CB . ARG A 1 163 ? 14.955 -13.275 27.045 1.00 29.46 ? 163 ARG A CB 1 ATOM 1256 C CG . ARG A 1 163 ? 16.020 -14.355 26.896 1.00 42.14 ? 163 ARG A CG 1 ATOM 1257 C CD . ARG A 1 163 ? 16.492 -14.879 28.253 1.00 57.84 ? 163 ARG A CD 1 ATOM 1258 N NE . ARG A 1 163 ? 17.007 -13.806 29.101 1.00 74.23 ? 163 ARG A NE 1 ATOM 1259 C CZ . ARG A 1 163 ? 18.288 -13.449 29.162 1.00 92.36 ? 163 ARG A CZ 1 ATOM 1260 N NH1 . ARG A 1 163 ? 18.667 -12.460 29.964 1.00 97.23 ? 163 ARG A NH1 1 ATOM 1261 N NH2 . ARG A 1 163 ? 19.193 -14.081 28.422 1.00 96.46 ? 163 ARG A NH2 1 ATOM 1262 N N . GLY A 1 164 ? 14.586 -14.226 23.771 1.00 33.81 ? 164 GLY A N 1 ATOM 1263 C CA . GLY A 1 164 ? 14.173 -15.313 22.896 1.00 28.24 ? 164 GLY A CA 1 ATOM 1264 C C . GLY A 1 164 ? 12.970 -15.041 21.995 1.00 31.19 ? 164 GLY A C 1 ATOM 1265 O O . GLY A 1 164 ? 12.603 -15.904 21.176 1.00 30.61 ? 164 GLY A O 1 ATOM 1266 N N . LEU A 1 165 ? 12.370 -13.859 22.112 1.00 30.47 ? 165 LEU A N 1 ATOM 1267 C CA . LEU A 1 165 ? 11.088 -13.591 21.445 1.00 35.19 ? 165 LEU A CA 1 ATOM 1268 C C . LEU A 1 165 ? 11.196 -13.481 19.903 1.00 40.80 ? 165 LEU A C 1 ATOM 1269 O O . LEU A 1 165 ? 10.395 -14.083 19.179 1.00 34.51 ? 165 LEU A O 1 ATOM 1270 C CB . LEU A 1 165 ? 10.439 -12.318 22.025 1.00 32.05 ? 165 LEU A CB 1 ATOM 1271 C CG . LEU A 1 165 ? 8.993 -12.048 21.564 1.00 33.75 ? 165 LEU A CG 1 ATOM 1272 C CD1 . LEU A 1 165 ? 8.046 -13.163 21.995 1.00 32.51 ? 165 LEU A CD1 1 ATOM 1273 C CD2 . LEU A 1 165 ? 8.476 -10.694 22.060 1.00 34.64 ? 165 LEU A CD2 1 ATOM 1274 N N . LYS A 1 166 ? 12.161 -12.711 19.395 1.00 32.77 ? 166 LYS A N 1 ATOM 1275 C CA . LYS A 1 166 ? 12.317 -12.566 17.949 1.00 31.91 ? 166 LYS A CA 1 ATOM 1276 C C . LYS A 1 166 ? 12.712 -13.892 17.298 1.00 33.22 ? 166 LYS A C 1 ATOM 1277 O O . LYS A 1 166 ? 12.327 -14.170 16.159 1.00 36.12 ? 166 LYS A O 1 ATOM 1278 C CB . LYS A 1 166 ? 13.355 -11.493 17.616 1.00 39.10 ? 166 LYS A CB 1 ATOM 1279 N N . THR A 1 167 ? 13.449 -14.715 18.039 1.00 34.68 ? 167 THR A N 1 ATOM 1280 C CA . THR A 1 167 ? 13.934 -15.999 17.532 1.00 35.41 ? 167 THR A CA 1 ATOM 1281 C C . THR A 1 167 ? 12.794 -16.975 17.244 1.00 36.46 ? 167 THR A C 1 ATOM 1282 O O . THR A 1 167 ? 12.848 -17.730 16.267 1.00 34.96 ? 167 THR A O 1 ATOM 1283 C CB . THR A 1 167 ? 14.924 -16.652 18.519 1.00 34.39 ? 167 THR A CB 1 ATOM 1284 O OG1 . THR A 1 167 ? 16.126 -15.873 18.563 1.00 38.63 ? 167 THR A OG1 1 ATOM 1285 C CG2 . THR A 1 167 ? 15.271 -18.072 18.085 1.00 40.43 ? 167 THR A CG2 1 ATOM 1286 N N . VAL A 1 168 ? 11.772 -16.967 18.092 1.00 32.22 ? 168 VAL A N 1 ATOM 1287 C CA . VAL A 1 168 ? 10.588 -17.782 17.857 1.00 30.83 ? 168 VAL A CA 1 ATOM 1288 C C . VAL A 1 168 ? 10.004 -17.540 16.456 1.00 33.10 ? 168 VAL A C 1 ATOM 1289 O O . VAL A 1 168 ? 9.773 -18.481 15.696 1.00 32.77 ? 168 VAL A O 1 ATOM 1290 C CB . VAL A 1 168 ? 9.503 -17.510 18.913 1.00 31.48 ? 168 VAL A CB 1 ATOM 1291 C CG1 . VAL A 1 168 ? 8.181 -18.133 18.482 1.00 34.12 ? 168 VAL A CG1 1 ATOM 1292 C CG2 . VAL A 1 168 ? 9.957 -18.052 20.271 1.00 28.57 ? 168 VAL A CG2 1 ATOM 1293 N N . PHE A 1 169 ? 9.798 -16.276 16.109 1.00 37.43 ? 169 PHE A N 1 ATOM 1294 C CA . PHE A 1 169 ? 9.121 -15.955 14.860 1.00 34.12 ? 169 PHE A CA 1 ATOM 1295 C C . PHE A 1 169 ? 10.050 -16.083 13.659 1.00 37.15 ? 169 PHE A C 1 ATOM 1296 O O . PHE A 1 169 ? 9.585 -16.397 12.564 1.00 36.79 ? 169 PHE A O 1 ATOM 1297 C CB . PHE A 1 169 ? 8.479 -14.563 14.959 1.00 35.02 ? 169 PHE A CB 1 ATOM 1298 C CG . PHE A 1 169 ? 7.329 -14.528 15.929 1.00 31.66 ? 169 PHE A CG 1 ATOM 1299 C CD1 . PHE A 1 169 ? 6.064 -14.948 15.535 1.00 38.20 ? 169 PHE A CD1 1 ATOM 1300 C CD2 . PHE A 1 169 ? 7.520 -14.135 17.244 1.00 32.05 ? 169 PHE A CD2 1 ATOM 1301 C CE1 . PHE A 1 169 ? 5.010 -14.956 16.427 1.00 35.93 ? 169 PHE A CE1 1 ATOM 1302 C CE2 . PHE A 1 169 ? 6.469 -14.146 18.154 1.00 33.48 ? 169 PHE A CE2 1 ATOM 1303 C CZ . PHE A 1 169 ? 5.213 -14.552 17.745 1.00 38.59 ? 169 PHE A CZ 1 ATOM 1304 N N . ASP A 1 170 ? 11.355 -15.895 13.864 1.00 31.52 ? 170 ASP A N 1 ATOM 1305 C CA . ASP A 1 170 ? 12.330 -16.156 12.805 1.00 38.37 ? 170 ASP A CA 1 ATOM 1306 C C . ASP A 1 170 ? 12.323 -17.638 12.422 1.00 40.93 ? 170 ASP A C 1 ATOM 1307 O O . ASP A 1 170 ? 12.344 -17.993 11.243 1.00 41.92 ? 170 ASP A O 1 ATOM 1308 C CB . ASP A 1 170 ? 13.748 -15.749 13.232 1.00 50.49 ? 170 ASP A CB 1 ATOM 1309 C CG . ASP A 1 170 ? 13.996 -14.255 13.122 1.00 61.44 ? 170 ASP A CG 1 ATOM 1310 O OD1 . ASP A 1 170 ? 13.215 -13.556 12.437 1.00 58.95 ? 170 ASP A OD1 1 ATOM 1311 O OD2 . ASP A 1 170 ? 14.987 -13.780 13.717 1.00 70.25 ? 170 ASP A OD2 1 ATOM 1312 N N . GLU A 1 171 ? 12.295 -18.500 13.433 1.00 36.41 ? 171 GLU A N 1 ATOM 1313 C CA . GLU A 1 171 ? 12.337 -19.939 13.200 1.00 36.48 ? 171 GLU A CA 1 ATOM 1314 C C . GLU A 1 171 ? 11.017 -20.444 12.602 1.00 39.92 ? 171 GLU A C 1 ATOM 1315 O O . GLU A 1 171 ? 11.017 -21.381 11.805 1.00 38.43 ? 171 GLU A O 1 ATOM 1316 C CB . GLU A 1 171 ? 12.672 -20.682 14.502 1.00 37.47 ? 171 GLU A CB 1 ATOM 1317 C CG . GLU A 1 171 ? 14.129 -20.515 14.945 1.00 33.62 ? 171 GLU A CG 1 ATOM 1318 C CD . GLU A 1 171 ? 15.126 -21.189 14.004 1.00 46.58 ? 171 GLU A CD 1 ATOM 1319 O OE1 . GLU A 1 171 ? 14.782 -22.224 13.395 1.00 47.39 ? 171 GLU A OE1 1 ATOM 1320 O OE2 . GLU A 1 171 ? 16.262 -20.684 13.872 1.00 50.74 ? 171 GLU A OE2 1 ATOM 1321 N N . ALA A 1 172 ? 9.899 -19.817 12.964 1.00 35.47 ? 172 ALA A N 1 ATOM 1322 C CA . ALA A 1 172 ? 8.624 -20.167 12.343 1.00 39.81 ? 172 ALA A CA 1 ATOM 1323 C C . ALA A 1 172 ? 8.712 -19.951 10.823 1.00 41.63 ? 172 ALA A C 1 ATOM 1324 O O . ALA A 1 172 ? 8.312 -20.813 10.030 1.00 39.52 ? 172 ALA A O 1 ATOM 1325 C CB . ALA A 1 172 ? 7.500 -19.365 12.950 1.00 35.19 ? 172 ALA A CB 1 ATOM 1326 N N . ILE A 1 173 ? 9.279 -18.821 10.415 1.00 41.56 ? 173 ILE A N 1 ATOM 1327 C CA . ILE A 1 173 ? 9.485 -18.564 8.990 1.00 41.31 ? 173 ILE A CA 1 ATOM 1328 C C . ILE A 1 173 ? 10.461 -19.572 8.373 1.00 45.61 ? 173 ILE A C 1 ATOM 1329 O O . ILE A 1 173 ? 10.239 -20.055 7.266 1.00 48.14 ? 173 ILE A O 1 ATOM 1330 C CB . ILE A 1 173 ? 9.990 -17.133 8.742 1.00 40.52 ? 173 ILE A CB 1 ATOM 1331 C CG1 . ILE A 1 173 ? 8.905 -16.122 9.137 1.00 42.10 ? 173 ILE A CG1 1 ATOM 1332 C CG2 . ILE A 1 173 ? 10.397 -16.958 7.273 1.00 44.65 ? 173 ILE A CG2 1 ATOM 1333 C CD1 . ILE A 1 173 ? 9.364 -14.680 9.142 1.00 42.70 ? 173 ILE A CD1 1 ATOM 1334 N N . ARG A 1 174 ? 11.530 -19.912 9.089 1.00 44.77 ? 174 ARG A N 1 ATOM 1335 C CA . ARG A 1 174 ? 12.509 -20.853 8.545 1.00 42.16 ? 174 ARG A CA 1 ATOM 1336 C C . ARG A 1 174 ? 11.945 -22.265 8.388 1.00 45.16 ? 174 ARG A C 1 ATOM 1337 O O . ARG A 1 174 ? 12.423 -23.040 7.558 1.00 42.33 ? 174 ARG A O 1 ATOM 1338 C CB . ARG A 1 174 ? 13.763 -20.895 9.416 1.00 39.59 ? 174 ARG A CB 1 ATOM 1339 C CG . ARG A 1 174 ? 14.640 -19.664 9.266 1.00 52.51 ? 174 ARG A CG 1 ATOM 1340 C CD . ARG A 1 174 ? 15.935 -19.808 10.035 1.00 56.80 ? 174 ARG A CD 1 ATOM 1341 N NE . ARG A 1 174 ? 16.858 -18.719 9.740 1.00 72.15 ? 174 ARG A NE 1 ATOM 1342 C CZ . ARG A 1 174 ? 17.024 -17.649 10.510 1.00 86.36 ? 174 ARG A CZ 1 ATOM 1343 N NH1 . ARG A 1 174 ? 16.332 -17.523 11.636 1.00 88.66 ? 174 ARG A NH1 1 ATOM 1344 N NH2 . ARG A 1 174 ? 17.889 -16.707 10.158 1.00 95.13 ? 174 ARG A NH2 1 ATOM 1345 N N . ALA A 1 175 ? 10.927 -22.598 9.176 1.00 41.92 ? 175 ALA A N 1 ATOM 1346 C CA . ALA A 1 175 ? 10.285 -23.906 9.061 1.00 36.85 ? 175 ALA A CA 1 ATOM 1347 C C . ALA A 1 175 ? 9.564 -24.043 7.727 1.00 47.45 ? 175 ALA A C 1 ATOM 1348 O O . ALA A 1 175 ? 9.322 -25.151 7.258 1.00 50.23 ? 175 ALA A O 1 ATOM 1349 C CB . ALA A 1 175 ? 9.302 -24.131 10.212 1.00 37.34 ? 175 ALA A CB 1 ATOM 1350 N N . VAL A 1 176 ? 9.224 -22.909 7.122 1.00 43.87 ? 176 VAL A N 1 ATOM 1351 C CA . VAL A 1 176 ? 8.410 -22.904 5.909 1.00 54.26 ? 176 VAL A CA 1 ATOM 1352 C C . VAL A 1 176 ? 9.238 -22.698 4.639 1.00 60.30 ? 176 VAL A C 1 ATOM 1353 O O . VAL A 1 176 ? 8.933 -23.272 3.593 1.00 65.45 ? 176 VAL A O 1 ATOM 1354 C CB . VAL A 1 176 ? 7.321 -21.813 5.983 1.00 46.39 ? 176 VAL A CB 1 ATOM 1355 C CG1 . VAL A 1 176 ? 6.419 -21.873 4.760 1.00 49.97 ? 176 VAL A CG1 1 ATOM 1356 C CG2 . VAL A 1 176 ? 6.502 -21.962 7.260 1.00 47.92 ? 176 VAL A CG2 1 ATOM 1357 N N . LEU A 1 177 ? 10.283 -21.880 4.729 1.00 58.57 ? 177 LEU A N 1 ATOM 1358 C CA . LEU A 1 177 ? 11.136 -21.605 3.575 1.00 68.84 ? 177 LEU A CA 1 ATOM 1359 C C . LEU A 1 177 ? 11.922 -22.843 3.159 1.00 79.72 ? 177 LEU A C 1 ATOM 1360 O O . LEU A 1 177 ? 11.629 -23.456 2.131 1.00 88.64 ? 177 LEU A O 1 ATOM 1361 C CB . LEU A 1 177 ? 12.094 -20.450 3.874 1.00 65.88 ? 177 LEU A CB 1 ATOM 1362 C CG . LEU A 1 177 ? 11.421 -19.114 4.206 1.00 61.93 ? 177 LEU A CG 1 ATOM 1363 C CD1 . LEU A 1 177 ? 12.456 -18.043 4.524 1.00 56.49 ? 177 LEU A CD1 1 ATOM 1364 C CD2 . LEU A 1 177 ? 10.525 -18.674 3.060 1.00 66.22 ? 177 LEU A CD2 1 ATOM 1365 N N . ARG B 2 1 ? -9.670 2.493 37.126 1.00 66.51 ? 1232 ARG B N 1 ATOM 1366 C CA . ARG B 2 1 ? -8.866 2.719 35.930 1.00 60.64 ? 1232 ARG B CA 1 ATOM 1367 C C . ARG B 2 1 ? -8.915 1.521 34.988 1.00 59.17 ? 1232 ARG B C 1 ATOM 1368 O O . ARG B 2 1 ? -9.007 1.684 33.769 1.00 54.16 ? 1232 ARG B O 1 ATOM 1369 C CB . ARG B 2 1 ? -7.411 3.016 36.299 1.00 68.20 ? 1232 ARG B CB 1 ATOM 1370 C CG . ARG B 2 1 ? -6.535 3.386 35.105 1.00 69.74 ? 1232 ARG B CG 1 ATOM 1371 C CD . ARG B 2 1 ? -5.058 3.111 35.369 1.00 71.02 ? 1232 ARG B CD 1 ATOM 1372 N NE . ARG B 2 1 ? -4.568 3.775 36.572 1.00 76.83 ? 1232 ARG B NE 1 ATOM 1373 C CZ . ARG B 2 1 ? -3.336 3.631 37.055 1.00 84.76 ? 1232 ARG B CZ 1 ATOM 1374 N NH1 . ARG B 2 1 ? -2.972 4.273 38.159 1.00 88.39 ? 1232 ARG B NH1 1 ATOM 1375 N NH2 . ARG B 2 1 ? -2.466 2.843 36.435 1.00 82.56 ? 1232 ARG B NH2 1 ATOM 1376 N N . LYS B 2 2 ? -8.842 0.317 35.548 1.00 49.20 ? 1233 LYS B N 1 ATOM 1377 C CA . LYS B 2 2 ? -8.832 -0.876 34.711 1.00 45.59 ? 1233 LYS B CA 1 ATOM 1378 C C . LYS B 2 2 ? -10.156 -1.057 33.987 1.00 44.96 ? 1233 LYS B C 1 ATOM 1379 O O . LYS B 2 2 ? -10.168 -1.435 32.818 1.00 36.64 ? 1233 LYS B O 1 ATOM 1380 C CB . LYS B 2 2 ? -8.510 -2.133 35.524 1.00 47.03 ? 1233 LYS B CB 1 ATOM 1381 C CG . LYS B 2 2 ? -8.269 -3.348 34.637 1.00 50.58 ? 1233 LYS B CG 1 ATOM 1382 C CD . LYS B 2 2 ? -7.935 -4.597 35.430 1.00 55.45 ? 1233 LYS B CD 1 ATOM 1383 C CE . LYS B 2 2 ? -7.793 -5.790 34.494 1.00 60.23 ? 1233 LYS B CE 1 ATOM 1384 N NZ . LYS B 2 2 ? -7.640 -7.082 35.217 1.00 64.67 ? 1233 LYS B NZ 1 ATOM 1385 N N . LYS B 2 3 ? -11.276 -0.792 34.657 1.00 38.68 ? 1234 LYS B N 1 ATOM 1386 C CA . LYS B 2 3 ? -12.558 -1.005 33.985 1.00 39.99 ? 1234 LYS B CA 1 ATOM 1387 C C . LYS B 2 3 ? -12.722 -0.008 32.834 1.00 35.54 ? 1234 LYS B C 1 ATOM 1388 O O . LYS B 2 3 ? -13.366 -0.317 31.826 1.00 37.11 ? 1234 LYS B O 1 ATOM 1389 C CB . LYS B 2 3 ? -13.735 -0.916 34.974 1.00 43.77 ? 1234 LYS B CB 1 ATOM 1390 C CG . LYS B 2 3 ? -14.190 0.468 35.366 1.00 48.67 ? 1234 LYS B CG 1 ATOM 1391 C CD . LYS B 2 3 ? -15.122 0.359 36.564 1.00 53.35 ? 1234 LYS B CD 1 ATOM 1392 C CE . LYS B 2 3 ? -15.514 1.711 37.127 1.00 65.60 ? 1234 LYS B CE 1 ATOM 1393 N NZ . LYS B 2 3 ? -16.309 1.539 38.376 1.00 65.56 ? 1234 LYS B NZ 1 ATOM 1394 N N . GLU B 2 4 ? -12.121 1.175 32.967 1.00 35.24 ? 1235 GLU B N 1 ATOM 1395 C CA . GLU B 2 4 ? -12.165 2.157 31.882 1.00 43.21 ? 1235 GLU B CA 1 ATOM 1396 C C . GLU B 2 4 ? -11.316 1.691 30.693 1.00 34.97 ? 1235 GLU B C 1 ATOM 1397 O O . GLU B 2 4 ? -11.673 1.929 29.543 1.00 32.45 ? 1235 GLU B O 1 ATOM 1398 C CB . GLU B 2 4 ? -11.699 3.540 32.361 1.00 51.70 ? 1235 GLU B CB 1 ATOM 1399 C CG . GLU B 2 4 ? -11.753 4.594 31.253 1.00 66.77 ? 1235 GLU B CG 1 ATOM 1400 C CD . GLU B 2 4 ? -11.214 5.956 31.672 1.00 77.18 ? 1235 GLU B CD 1 ATOM 1401 O OE1 . GLU B 2 4 ? -10.958 6.166 32.879 1.00 77.92 ? 1235 GLU B OE1 1 ATOM 1402 O OE2 . GLU B 2 4 ? -11.048 6.818 30.781 1.00 76.54 ? 1235 GLU B OE2 1 ATOM 1403 N N . PHE B 2 5 ? -10.192 1.027 30.964 1.00 37.92 ? 1236 PHE B N 1 ATOM 1404 C CA . PHE B 2 5 ? -9.390 0.449 29.885 1.00 31.18 ? 1236 PHE B CA 1 ATOM 1405 C C . PHE B 2 5 ? -10.155 -0.654 29.176 1.00 27.45 ? 1236 PHE B C 1 ATOM 1406 O O . PHE B 2 5 ? -10.143 -0.720 27.949 1.00 28.30 ? 1236 PHE B O 1 ATOM 1407 C CB . PHE B 2 5 ? -8.048 -0.104 30.424 1.00 35.73 ? 1236 PHE B CB 1 ATOM 1408 N N . ILE B 2 6 ? -10.821 -1.526 29.934 1.00 28.94 ? 1237 ILE B N 1 ATOM 1409 C CA . ILE B 2 6 ? -11.580 -2.611 29.312 1.00 26.62 ? 1237 ILE B CA 1 ATOM 1410 C C . ILE B 2 6 ? -12.707 -2.057 28.430 1.00 28.91 ? 1237 ILE B C 1 ATOM 1411 O O . ILE B 2 6 ? -12.846 -2.454 27.268 1.00 27.90 ? 1237 ILE B O 1 ATOM 1412 C CB . ILE B 2 6 ? -12.140 -3.583 30.373 1.00 28.28 ? 1237 ILE B CB 1 ATOM 1413 C CG1 . ILE B 2 6 ? -10.980 -4.230 31.137 1.00 31.77 ? 1237 ILE B CG1 1 ATOM 1414 C CG2 . ILE B 2 6 ? -12.971 -4.672 29.699 1.00 29.38 ? 1237 ILE B CG2 1 ATOM 1415 C CD1 . ILE B 2 6 ? -11.338 -4.678 32.541 1.00 33.32 ? 1237 ILE B CD1 1 ATOM 1416 N N . MET B 2 7 ? -13.498 -1.119 28.963 1.00 27.71 ? 1238 MET B N 1 ATOM 1417 C CA . MET B 2 7 ? -14.577 -0.527 28.176 1.00 25.68 ? 1238 MET B CA 1 ATOM 1418 C C . MET B 2 7 ? -14.032 0.161 26.910 1.00 28.05 ? 1238 MET B C 1 ATOM 1419 O O . MET B 2 7 ? -14.624 0.058 25.829 1.00 28.26 ? 1238 MET B O 1 ATOM 1420 C CB . MET B 2 7 ? -15.393 0.469 29.033 1.00 29.19 ? 1238 MET B CB 1 ATOM 1421 C CG . MET B 2 7 ? -16.668 1.000 28.342 1.00 36.27 ? 1238 MET B CG 1 ATOM 1422 S SD . MET B 2 7 ? -17.919 -0.267 27.984 1.00 41.05 ? 1238 MET B SD 1 ATOM 1423 C CE . MET B 2 7 ? -17.952 -1.132 29.552 1.00 64.01 ? 1238 MET B CE 1 ATOM 1424 N N . ALA B 2 8 ? -12.910 0.861 27.030 1.00 30.93 ? 1239 ALA B N 1 ATOM 1425 C CA . ALA B 2 8 ? -12.327 1.506 25.855 1.00 28.18 ? 1239 ALA B CA 1 ATOM 1426 C C . ALA B 2 8 ? -11.929 0.482 24.785 1.00 33.76 ? 1239 ALA B C 1 ATOM 1427 O O . ALA B 2 8 ? -12.095 0.738 23.581 1.00 30.50 ? 1239 ALA B O 1 ATOM 1428 C CB . ALA B 2 8 ? -11.128 2.353 26.249 1.00 31.07 ? 1239 ALA B CB 1 ATOM 1429 N N . GLU B 2 9 ? -11.422 -0.679 25.210 1.00 25.50 ? 1240 GLU B N 1 ATOM 1430 C CA . GLU B 2 9 ? -11.004 -1.692 24.245 1.00 26.24 ? 1240 GLU B CA 1 ATOM 1431 C C . GLU B 2 9 ? -12.237 -2.320 23.600 1.00 29.05 ? 1240 GLU B C 1 ATOM 1432 O O . GLU B 2 9 ? -12.245 -2.612 22.396 1.00 26.48 ? 1240 GLU B O 1 ATOM 1433 C CB . GLU B 2 9 ? -10.119 -2.784 24.877 1.00 24.89 ? 1240 GLU B CB 1 ATOM 1434 C CG . GLU B 2 9 ? -9.572 -3.739 23.782 1.00 26.20 ? 1240 GLU B CG 1 ATOM 1435 C CD . GLU B 2 9 ? -8.709 -4.893 24.292 1.00 38.69 ? 1240 GLU B CD 1 ATOM 1436 O OE1 . GLU B 2 9 ? -8.702 -5.184 25.516 1.00 32.05 ? 1240 GLU B OE1 1 ATOM 1437 O OE2 . GLU B 2 9 ? -8.020 -5.505 23.441 1.00 34.89 ? 1240 GLU B OE2 1 ATOM 1438 N N . LEU B 2 10 ? -13.287 -2.513 24.393 1.00 24.96 ? 1241 LEU B N 1 ATOM 1439 C CA . LEU B 2 10 ? -14.523 -3.067 23.846 1.00 24.70 ? 1241 LEU B CA 1 ATOM 1440 C C . LEU B 2 10 ? -15.037 -2.183 22.702 1.00 23.70 ? 1241 LEU B C 1 ATOM 1441 O O . LEU B 2 10 ? -15.403 -2.687 21.623 1.00 23.89 ? 1241 LEU B O 1 ATOM 1442 C CB . LEU B 2 10 ? -15.582 -3.207 24.941 1.00 24.74 ? 1241 LEU B CB 1 ATOM 1443 C CG . LEU B 2 10 ? -16.996 -3.615 24.553 1.00 24.48 ? 1241 LEU B CG 1 ATOM 1444 C CD1 . LEU B 2 10 ? -17.030 -4.955 23.801 1.00 27.30 ? 1241 LEU B CD1 1 ATOM 1445 C CD2 . LEU B 2 10 ? -17.849 -3.690 25.821 1.00 28.04 ? 1241 LEU B CD2 1 ATOM 1446 N N . LEU B 2 11 ? -15.093 -0.871 22.949 1.00 24.92 ? 1242 LEU B N 1 ATOM 1447 C CA . LEU B 2 11 ? -15.601 0.064 21.947 1.00 23.49 ? 1242 LEU B CA 1 ATOM 1448 C C . LEU B 2 11 ? -14.671 0.200 20.733 1.00 27.59 ? 1242 LEU B C 1 ATOM 1449 O O . LEU B 2 11 ? -15.129 0.197 19.582 1.00 25.21 ? 1242 LEU B O 1 ATOM 1450 C CB . LEU B 2 11 ? -15.837 1.437 22.590 1.00 28.43 ? 1242 LEU B CB 1 ATOM 1451 C CG . LEU B 2 11 ? -16.984 1.503 23.601 1.00 32.47 ? 1242 LEU B CG 1 ATOM 1452 C CD1 . LEU B 2 11 ? -17.007 2.882 24.237 1.00 36.37 ? 1242 LEU B CD1 1 ATOM 1453 C CD2 . LEU B 2 11 ? -18.328 1.199 22.935 1.00 32.15 ? 1242 LEU B CD2 1 ATOM 1454 N N A GLN B 2 12 ? -13.370 0.308 20.982 0.48 26.52 ? 1243 GLN B N 1 ATOM 1455 N N B GLN B 2 12 ? -13.369 0.312 20.970 0.52 26.64 ? 1243 GLN B N 1 ATOM 1456 C CA A GLN B 2 12 ? -12.411 0.470 19.887 0.48 28.21 ? 1243 GLN B CA 1 ATOM 1457 C CA B GLN B 2 12 ? -12.447 0.459 19.845 0.52 28.51 ? 1243 GLN B CA 1 ATOM 1458 C C A GLN B 2 12 ? -12.345 -0.763 18.972 0.48 29.81 ? 1243 GLN B C 1 ATOM 1459 C C B GLN B 2 12 ? -12.444 -0.776 18.946 0.52 29.82 ? 1243 GLN B C 1 ATOM 1460 O O A GLN B 2 12 ? -12.209 -0.622 17.752 0.48 28.03 ? 1243 GLN B O 1 ATOM 1461 O O B GLN B 2 12 ? -12.437 -0.656 17.717 0.52 26.38 ? 1243 GLN B O 1 ATOM 1462 C CB A GLN B 2 12 ? -11.017 0.800 20.438 0.48 24.45 ? 1243 GLN B CB 1 ATOM 1463 C CB B GLN B 2 12 ? -11.024 0.751 20.325 0.52 28.47 ? 1243 GLN B CB 1 ATOM 1464 C CG A GLN B 2 12 ? -10.870 2.232 20.972 0.48 32.51 ? 1243 GLN B CG 1 ATOM 1465 C CG B GLN B 2 12 ? -10.047 0.957 19.165 0.52 33.82 ? 1243 GLN B CG 1 ATOM 1466 C CD A GLN B 2 12 ? -11.237 3.302 19.943 0.48 45.56 ? 1243 GLN B CD 1 ATOM 1467 C CD B GLN B 2 12 ? -10.650 1.799 18.041 0.52 50.16 ? 1243 GLN B CD 1 ATOM 1468 O OE1 A GLN B 2 12 ? -12.329 3.886 19.987 0.48 36.42 ? 1243 GLN B OE1 1 ATOM 1469 O OE1 B GLN B 2 12 ? -11.336 2.791 18.299 0.52 57.55 ? 1243 GLN B OE1 1 ATOM 1470 N NE2 A GLN B 2 12 ? -10.319 3.574 19.022 0.48 54.26 ? 1243 GLN B NE2 1 ATOM 1471 N NE2 B GLN B 2 12 ? -10.406 1.399 16.791 0.52 44.26 ? 1243 GLN B NE2 1 ATOM 1472 N N . THR B 2 13 ? -12.441 -1.961 19.547 1.00 25.22 ? 1244 THR B N 1 ATOM 1473 C CA . THR B 2 13 ? -12.398 -3.186 18.752 1.00 28.01 ? 1244 THR B CA 1 ATOM 1474 C C . THR B 2 13 ? -13.760 -3.429 18.079 1.00 26.03 ? 1244 THR B C 1 ATOM 1475 O O . THR B 2 13 ? -13.830 -4.078 17.022 1.00 25.81 ? 1244 THR B O 1 ATOM 1476 C CB . THR B 2 13 ? -11.989 -4.426 19.595 1.00 26.84 ? 1244 THR B CB 1 ATOM 1477 O OG1 . THR B 2 13 ? -12.924 -4.605 20.668 1.00 25.81 ? 1244 THR B OG1 1 ATOM 1478 C CG2 . THR B 2 13 ? -10.555 -4.275 20.167 1.00 24.95 ? 1244 THR B CG2 1 ATOM 1479 N N . GLU B 2 14 ? -14.834 -2.908 18.669 1.00 22.99 ? 1245 GLU B N 1 ATOM 1480 C CA . GLU B 2 14 ? -16.149 -2.974 18.016 1.00 21.41 ? 1245 GLU B CA 1 ATOM 1481 C C . GLU B 2 14 ? -16.155 -2.118 16.748 1.00 25.88 ? 1245 GLU B C 1 ATOM 1482 O O . GLU B 2 14 ? -16.662 -2.546 15.711 1.00 25.23 ? 1245 GLU B O 1 ATOM 1483 C CB . GLU B 2 14 ? -17.286 -2.519 18.958 1.00 20.57 ? 1245 GLU B CB 1 ATOM 1484 C CG . GLU B 2 14 ? -18.711 -2.654 18.319 1.00 26.24 ? 1245 GLU B CG 1 ATOM 1485 C CD . GLU B 2 14 ? -19.308 -4.079 18.395 1.00 26.76 ? 1245 GLU B CD 1 ATOM 1486 O OE1 . GLU B 2 14 ? -18.688 -5.002 18.948 1.00 24.76 ? 1245 GLU B OE1 1 ATOM 1487 O OE2 . GLU B 2 14 ? -20.429 -4.283 17.898 1.00 26.41 ? 1245 GLU B OE2 1 ATOM 1488 N N . LYS B 2 15 ? -15.600 -0.913 16.829 1.00 25.31 ? 1246 LYS B N 1 ATOM 1489 C CA . LYS B 2 15 ? -15.510 -0.054 15.650 1.00 24.98 ? 1246 LYS B CA 1 ATOM 1490 C C . LYS B 2 15 ? -14.657 -0.711 14.560 1.00 28.92 ? 1246 LYS B C 1 ATOM 1491 O O . LYS B 2 15 ? -14.993 -0.641 13.376 1.00 27.78 ? 1246 LYS B O 1 ATOM 1492 C CB . LYS B 2 15 ? -14.924 1.317 16.014 1.00 26.22 ? 1246 LYS B CB 1 ATOM 1493 C CG . LYS B 2 15 ? -15.841 2.172 16.882 1.00 30.97 ? 1246 LYS B CG 1 ATOM 1494 C CD . LYS B 2 15 ? -15.154 3.450 17.337 1.00 37.43 ? 1246 LYS B CD 1 ATOM 1495 C CE . LYS B 2 15 ? -15.988 4.128 18.409 1.00 42.34 ? 1246 LYS B CE 1 ATOM 1496 N NZ . LYS B 2 15 ? -15.194 5.039 19.254 1.00 48.53 ? 1246 LYS B NZ 1 ATOM 1497 N N . ALA B 2 16 ? -13.551 -1.339 14.966 1.00 27.82 ? 1247 ALA B N 1 ATOM 1498 C CA . ALA B 2 16 ? -12.659 -1.997 14.011 1.00 28.49 ? 1247 ALA B CA 1 ATOM 1499 C C . ALA B 2 16 ? -13.376 -3.156 13.328 1.00 27.04 ? 1247 ALA B C 1 ATOM 1500 O O . ALA B 2 16 ? -13.194 -3.401 12.130 1.00 28.26 ? 1247 ALA B O 1 ATOM 1501 C CB . ALA B 2 16 ? -11.385 -2.491 14.714 1.00 31.80 ? 1247 ALA B CB 1 ATOM 1502 N N . TYR B 2 17 ? -14.190 -3.868 14.105 1.00 25.98 ? 1248 TYR B N 1 ATOM 1503 C CA . TYR B 2 17 ? -14.957 -5.007 13.599 1.00 28.11 ? 1248 TYR B CA 1 ATOM 1504 C C . TYR B 2 17 ? -15.985 -4.575 12.540 1.00 26.99 ? 1248 TYR B C 1 ATOM 1505 O O . TYR B 2 17 ? -16.110 -5.197 11.482 1.00 26.57 ? 1248 TYR B O 1 ATOM 1506 C CB . TYR B 2 17 ? -15.652 -5.707 14.769 1.00 26.22 ? 1248 TYR B CB 1 ATOM 1507 C CG . TYR B 2 17 ? -16.487 -6.935 14.414 1.00 25.09 ? 1248 TYR B CG 1 ATOM 1508 C CD1 . TYR B 2 17 ? -15.911 -8.045 13.798 1.00 25.13 ? 1248 TYR B CD1 1 ATOM 1509 C CD2 . TYR B 2 17 ? -17.830 -7.006 14.764 1.00 24.98 ? 1248 TYR B CD2 1 ATOM 1510 C CE1 . TYR B 2 17 ? -16.668 -9.182 13.510 1.00 27.51 ? 1248 TYR B CE1 1 ATOM 1511 C CE2 . TYR B 2 17 ? -18.592 -8.138 14.486 1.00 27.51 ? 1248 TYR B CE2 1 ATOM 1512 C CZ . TYR B 2 17 ? -18.010 -9.217 13.855 1.00 29.67 ? 1248 TYR B CZ 1 ATOM 1513 O OH . TYR B 2 17 ? -18.778 -10.334 13.587 1.00 30.55 ? 1248 TYR B OH 1 ATOM 1514 N N . VAL B 2 18 ? -16.721 -3.513 12.834 1.00 23.72 ? 1249 VAL B N 1 ATOM 1515 C CA . VAL B 2 18 ? -17.681 -2.948 11.876 1.00 27.83 ? 1249 VAL B CA 1 ATOM 1516 C C . VAL B 2 18 ? -16.971 -2.496 10.590 1.00 33.09 ? 1249 VAL B C 1 ATOM 1517 O O . VAL B 2 18 ? -17.439 -2.770 9.470 1.00 29.51 ? 1249 VAL B O 1 ATOM 1518 C CB . VAL B 2 18 ? -18.463 -1.768 12.508 1.00 22.68 ? 1249 VAL B CB 1 ATOM 1519 C CG1 . VAL B 2 18 ? -19.239 -0.933 11.441 1.00 26.56 ? 1249 VAL B CG1 1 ATOM 1520 C CG2 . VAL B 2 18 ? -19.420 -2.262 13.617 1.00 26.13 ? 1249 VAL B CG2 1 ATOM 1521 N N . ARG B 2 19 ? -15.837 -1.816 10.745 1.00 25.90 ? 1250 ARG B N 1 ATOM 1522 C CA . ARG B 2 19 ? -15.040 -1.376 9.595 1.00 32.27 ? 1250 ARG B CA 1 ATOM 1523 C C . ARG B 2 19 ? -14.542 -2.539 8.729 1.00 34.15 ? 1250 ARG B C 1 ATOM 1524 O O . ARG B 2 19 ? -14.512 -2.451 7.494 1.00 33.75 ? 1250 ARG B O 1 ATOM 1525 C CB . ARG B 2 19 ? -13.845 -0.548 10.070 1.00 35.37 ? 1250 ARG B CB 1 ATOM 1526 C CG . ARG B 2 19 ? -14.164 0.921 10.325 1.00 46.15 ? 1250 ARG B CG 1 ATOM 1527 C CD . ARG B 2 19 ? -12.893 1.708 10.663 1.00 57.40 ? 1250 ARG B CD 1 ATOM 1528 N NE . ARG B 2 19 ? -13.179 3.036 11.205 1.00 61.61 ? 1250 ARG B NE 1 ATOM 1529 C CZ . ARG B 2 19 ? -13.107 4.165 10.508 1.00 75.06 ? 1250 ARG B CZ 1 ATOM 1530 N NH1 . ARG B 2 19 ? -12.755 4.139 9.227 1.00 80.36 ? 1250 ARG B NH1 1 ATOM 1531 N NH2 . ARG B 2 19 ? -13.383 5.325 11.093 1.00 74.16 ? 1250 ARG B NH2 1 ATOM 1532 N N . ASP B 2 20 ? -14.132 -3.623 9.376 1.00 29.48 ? 1251 ASP B N 1 ATOM 1533 C CA . ASP B 2 20 ? -13.603 -4.789 8.674 1.00 27.33 ? 1251 ASP B CA 1 ATOM 1534 C C . ASP B 2 20 ? -14.699 -5.504 7.886 1.00 31.37 ? 1251 ASP B C 1 ATOM 1535 O O . ASP B 2 20 ? -14.491 -5.889 6.734 1.00 31.98 ? 1251 ASP B O 1 ATOM 1536 C CB . ASP B 2 20 ? -12.951 -5.770 9.662 1.00 31.63 ? 1251 ASP B CB 1 ATOM 1537 C CG . ASP B 2 20 ? -11.580 -5.311 10.136 1.00 38.56 ? 1251 ASP B CG 1 ATOM 1538 O OD1 . ASP B 2 20 ? -10.975 -4.437 9.488 1.00 38.19 ? 1251 ASP B OD1 1 ATOM 1539 O OD2 . ASP B 2 20 ? -11.095 -5.843 11.158 1.00 36.78 ? 1251 ASP B OD2 1 ATOM 1540 N N . LEU B 2 21 ? -15.854 -5.706 8.511 1.00 28.19 ? 1252 LEU B N 1 ATOM 1541 C CA . LEU B 2 21 ? -16.968 -6.326 7.805 1.00 30.67 ? 1252 LEU B CA 1 ATOM 1542 C C . LEU B 2 21 ? -17.422 -5.440 6.635 1.00 34.04 ? 1252 LEU B C 1 ATOM 1543 O O . LEU B 2 21 ? -17.735 -5.942 5.550 1.00 31.73 ? 1252 LEU B O 1 ATOM 1544 C CB . LEU B 2 21 ? -18.145 -6.591 8.750 1.00 28.13 ? 1252 LEU B CB 1 ATOM 1545 C CG . LEU B 2 21 ? -17.967 -7.555 9.934 1.00 32.35 ? 1252 LEU B CG 1 ATOM 1546 C CD1 . LEU B 2 21 ? -19.315 -7.979 10.507 1.00 31.44 ? 1252 LEU B CD1 1 ATOM 1547 C CD2 . LEU B 2 21 ? -17.132 -8.758 9.611 1.00 30.64 ? 1252 LEU B CD2 1 ATOM 1548 N N . HIS B 2 22 ? -17.478 -4.128 6.860 1.00 28.89 ? 1253 HIS B N 1 ATOM 1549 C CA . HIS B 2 22 ? -17.820 -3.199 5.786 1.00 32.58 ? 1253 HIS B CA 1 ATOM 1550 C C . HIS B 2 22 ? -16.850 -3.348 4.596 1.00 33.15 ? 1253 HIS B C 1 ATOM 1551 O O . HIS B 2 22 ? -17.281 -3.413 3.448 1.00 31.83 ? 1253 HIS B O 1 ATOM 1552 C CB . HIS B 2 22 ? -17.833 -1.760 6.312 1.00 32.87 ? 1253 HIS B CB 1 ATOM 1553 C CG . HIS B 2 22 ? -18.000 -0.721 5.243 1.00 34.74 ? 1253 HIS B CG 1 ATOM 1554 N ND1 . HIS B 2 22 ? -19.208 -0.464 4.630 1.00 33.57 ? 1253 HIS B ND1 1 ATOM 1555 C CD2 . HIS B 2 22 ? -17.108 0.129 4.685 1.00 31.49 ? 1253 HIS B CD2 1 ATOM 1556 C CE1 . HIS B 2 22 ? -19.051 0.496 3.734 1.00 35.50 ? 1253 HIS B CE1 1 ATOM 1557 N NE2 . HIS B 2 22 ? -17.785 0.872 3.746 1.00 40.04 ? 1253 HIS B NE2 1 ATOM 1558 N N . GLU B 2 23 ? -15.548 -3.418 4.866 1.00 33.08 ? 1254 GLU B N 1 ATOM 1559 C CA . GLU B 2 23 ? -14.554 -3.571 3.802 1.00 35.33 ? 1254 GLU B CA 1 ATOM 1560 C C . GLU B 2 23 ? -14.744 -4.890 3.039 1.00 36.89 ? 1254 GLU B C 1 ATOM 1561 O O . GLU B 2 23 ? -14.651 -4.919 1.806 1.00 37.23 ? 1254 GLU B O 1 ATOM 1562 C CB . GLU B 2 23 ? -13.122 -3.484 4.379 1.00 30.21 ? 1254 GLU B CB 1 ATOM 1563 C CG . GLU B 2 23 ? -12.034 -3.182 3.358 1.00 45.95 ? 1254 GLU B CG 1 ATOM 1564 C CD . GLU B 2 23 ? -12.143 -1.776 2.788 1.00 60.02 ? 1254 GLU B CD 1 ATOM 1565 O OE1 . GLU B 2 23 ? -12.988 -0.995 3.277 1.00 68.59 ? 1254 GLU B OE1 1 ATOM 1566 O OE2 . GLU B 2 23 ? -11.389 -1.455 1.846 1.00 65.33 ? 1254 GLU B OE2 1 ATOM 1567 N N . CYS B 2 24 ? -14.996 -5.978 3.764 1.00 38.87 ? 1255 CYS B N 1 ATOM 1568 C CA . CYS B 2 24 ? -15.206 -7.289 3.140 1.00 38.44 ? 1255 CYS B CA 1 ATOM 1569 C C . CYS B 2 24 ? -16.406 -7.247 2.181 1.00 37.94 ? 1255 CYS B C 1 ATOM 1570 O O . CYS B 2 24 ? -16.329 -7.759 1.062 1.00 37.96 ? 1255 CYS B O 1 ATOM 1571 C CB . CYS B 2 24 ? -15.409 -8.369 4.216 1.00 36.82 ? 1255 CYS B CB 1 ATOM 1572 S SG . CYS B 2 24 ? -15.681 -10.069 3.612 1.00 38.15 ? 1255 CYS B SG 1 ATOM 1573 N N . LEU B 2 25 ? -17.503 -6.626 2.623 1.00 33.02 ? 1256 LEU B N 1 ATOM 1574 C CA . LEU B 2 25 ? -18.728 -6.527 1.818 1.00 33.57 ? 1256 LEU B CA 1 ATOM 1575 C C . LEU B 2 25 ? -18.541 -5.669 0.574 1.00 42.54 ? 1256 LEU B C 1 ATOM 1576 O O . LEU B 2 25 ? -19.096 -5.973 -0.496 1.00 38.32 ? 1256 LEU B O 1 ATOM 1577 C CB . LEU B 2 25 ? -19.892 -5.970 2.668 1.00 31.85 ? 1256 LEU B CB 1 ATOM 1578 C CG . LEU B 2 25 ? -20.427 -6.880 3.783 1.00 34.31 ? 1256 LEU B CG 1 ATOM 1579 C CD1 . LEU B 2 25 ? -21.382 -6.129 4.714 1.00 28.43 ? 1256 LEU B CD1 1 ATOM 1580 C CD2 . LEU B 2 25 ? -21.106 -8.112 3.193 1.00 37.02 ? 1256 LEU B CD2 1 ATOM 1581 N N . GLU B 2 26 ? -17.755 -4.606 0.687 1.00 35.74 ? 1257 GLU B N 1 ATOM 1582 C CA . GLU B 2 26 ? -17.665 -3.668 -0.428 1.00 36.77 ? 1257 GLU B CA 1 ATOM 1583 C C . GLU B 2 26 ? -16.510 -3.970 -1.374 1.00 41.08 ? 1257 GLU B C 1 ATOM 1584 O O . GLU B 2 26 ? -16.334 -3.271 -2.377 1.00 43.89 ? 1257 GLU B O 1 ATOM 1585 C CB . GLU B 2 26 ? -17.557 -2.230 0.089 1.00 34.22 ? 1257 GLU B CB 1 ATOM 1586 C CG . GLU B 2 26 ? -18.774 -1.782 0.914 1.00 35.74 ? 1257 GLU B CG 1 ATOM 1587 C CD . GLU B 2 26 ? -20.100 -1.827 0.144 1.00 43.74 ? 1257 GLU B CD 1 ATOM 1588 O OE1 . GLU B 2 26 ? -20.082 -1.753 -1.101 1.00 43.63 ? 1257 GLU B OE1 1 ATOM 1589 O OE2 . GLU B 2 26 ? -21.165 -1.942 0.795 1.00 50.30 ? 1257 GLU B OE2 1 ATOM 1590 N N . THR B 2 27 ? -15.726 -4.999 -1.056 1.00 46.13 ? 1258 THR B N 1 ATOM 1591 C CA . THR B 2 27 ? -14.661 -5.437 -1.954 1.00 51.47 ? 1258 THR B CA 1 ATOM 1592 C C . THR B 2 27 ? -14.890 -6.855 -2.465 1.00 49.06 ? 1258 THR B C 1 ATOM 1593 O O . THR B 2 27 ? -15.285 -7.053 -3.610 1.00 47.24 ? 1258 THR B O 1 ATOM 1594 C CB . THR B 2 27 ? -13.273 -5.374 -1.282 1.00 50.09 ? 1258 THR B CB 1 ATOM 1595 O OG1 . THR B 2 27 ? -13.288 -6.140 -0.071 1.00 55.65 ? 1258 THR B OG1 1 ATOM 1596 C CG2 . THR B 2 27 ? -12.885 -3.931 -0.972 1.00 48.94 ? 1258 THR B CG2 1 ATOM 1597 N N . TYR B 2 28 ? -14.624 -7.845 -1.621 1.00 45.11 ? 1259 TYR B N 1 ATOM 1598 C CA . TYR B 2 28 ? -14.709 -9.239 -2.049 1.00 50.92 ? 1259 TYR B CA 1 ATOM 1599 C C . TYR B 2 28 ? -16.136 -9.591 -2.507 1.00 48.54 ? 1259 TYR B C 1 ATOM 1600 O O . TYR B 2 28 ? -16.320 -10.250 -3.535 1.00 50.17 ? 1259 TYR B O 1 ATOM 1601 C CB . TYR B 2 28 ? -14.241 -10.175 -0.919 1.00 45.12 ? 1259 TYR B CB 1 ATOM 1602 C CG . TYR B 2 28 ? -12.755 -10.066 -0.577 1.00 43.15 ? 1259 TYR B CG 1 ATOM 1603 C CD1 . TYR B 2 28 ? -11.780 -10.215 -1.555 1.00 47.73 ? 1259 TYR B CD1 1 ATOM 1604 C CD2 . TYR B 2 28 ? -12.341 -9.813 0.732 1.00 42.90 ? 1259 TYR B CD2 1 ATOM 1605 C CE1 . TYR B 2 28 ? -10.434 -10.114 -1.250 1.00 50.21 ? 1259 TYR B CE1 1 ATOM 1606 C CE2 . TYR B 2 28 ? -10.992 -9.713 1.047 1.00 47.06 ? 1259 TYR B CE2 1 ATOM 1607 C CZ . TYR B 2 28 ? -10.043 -9.867 0.053 1.00 46.69 ? 1259 TYR B CZ 1 ATOM 1608 O OH . TYR B 2 28 ? -8.697 -9.763 0.342 1.00 51.97 ? 1259 TYR B OH 1 ATOM 1609 N N . LEU B 2 29 ? -17.149 -9.131 -1.773 1.00 41.89 ? 1260 LEU B N 1 ATOM 1610 C CA . LEU B 2 29 ? -18.528 -9.418 -2.173 1.00 44.13 ? 1260 LEU B CA 1 ATOM 1611 C C . LEU B 2 29 ? -18.975 -8.578 -3.371 1.00 47.56 ? 1260 LEU B C 1 ATOM 1612 O O . LEU B 2 29 ? -19.557 -9.113 -4.318 1.00 46.39 ? 1260 LEU B O 1 ATOM 1613 C CB . LEU B 2 29 ? -19.500 -9.201 -1.008 1.00 43.95 ? 1260 LEU B CB 1 ATOM 1614 C CG . LEU B 2 29 ? -20.981 -9.271 -1.407 1.00 45.93 ? 1260 LEU B CG 1 ATOM 1615 C CD1 . LEU B 2 29 ? -21.318 -10.600 -2.073 1.00 48.80 ? 1260 LEU B CD1 1 ATOM 1616 C CD2 . LEU B 2 29 ? -21.891 -9.025 -0.213 1.00 43.95 ? 1260 LEU B CD2 1 ATOM 1617 N N . TRP B 2 30 ? -18.722 -7.270 -3.335 1.00 44.44 ? 1261 TRP B N 1 ATOM 1618 C CA . TRP B 2 30 ? -19.166 -6.396 -4.433 1.00 42.12 ? 1261 TRP B CA 1 ATOM 1619 C C . TRP B 2 30 ? -18.622 -6.866 -5.789 1.00 48.82 ? 1261 TRP B C 1 ATOM 1620 O O . TRP B 2 30 ? -19.284 -6.698 -6.820 1.00 49.31 ? 1261 TRP B O 1 ATOM 1621 C CB . TRP B 2 30 ? -18.760 -4.937 -4.159 1.00 43.44 ? 1261 TRP B CB 1 ATOM 1622 C CG . TRP B 2 30 ? -19.301 -3.913 -5.141 1.00 44.29 ? 1261 TRP B CG 1 ATOM 1623 C CD1 . TRP B 2 30 ? -20.568 -3.406 -5.188 1.00 43.59 ? 1261 TRP B CD1 1 ATOM 1624 C CD2 . TRP B 2 30 ? -18.572 -3.258 -6.193 1.00 43.26 ? 1261 TRP B CD2 1 ATOM 1625 N NE1 . TRP B 2 30 ? -20.680 -2.491 -6.214 1.00 46.75 ? 1261 TRP B NE1 1 ATOM 1626 C CE2 . TRP B 2 30 ? -19.468 -2.384 -6.844 1.00 42.31 ? 1261 TRP B CE2 1 ATOM 1627 C CE3 . TRP B 2 30 ? -17.252 -3.331 -6.648 1.00 47.45 ? 1261 TRP B CE3 1 ATOM 1628 C CZ2 . TRP B 2 30 ? -19.083 -1.587 -7.920 1.00 46.24 ? 1261 TRP B CZ2 1 ATOM 1629 C CZ3 . TRP B 2 30 ? -16.875 -2.546 -7.722 1.00 46.51 ? 1261 TRP B CZ3 1 ATOM 1630 C CH2 . TRP B 2 30 ? -17.787 -1.684 -8.345 1.00 47.63 ? 1261 TRP B CH2 1 ATOM 1631 N N . GLU B 2 31 ? -17.440 -7.478 -5.792 1.00 47.69 ? 1262 GLU B N 1 ATOM 1632 C CA . GLU B 2 31 ? -16.836 -7.954 -7.044 1.00 46.12 ? 1262 GLU B CA 1 ATOM 1633 C C . GLU B 2 31 ? -17.644 -9.081 -7.679 1.00 52.26 ? 1262 GLU B C 1 ATOM 1634 O O . GLU B 2 31 ? -17.771 -9.164 -8.904 1.00 51.71 ? 1262 GLU B O 1 ATOM 1635 C CB . GLU B 2 31 ? -15.402 -8.426 -6.804 1.00 46.16 ? 1262 GLU B CB 1 ATOM 1636 C CG . GLU B 2 31 ? -14.403 -7.316 -6.506 1.00 51.64 ? 1262 GLU B CG 1 ATOM 1637 C CD . GLU B 2 31 ? -14.236 -6.341 -7.663 1.00 64.83 ? 1262 GLU B CD 1 ATOM 1638 O OE1 . GLU B 2 31 ? -14.483 -6.734 -8.824 1.00 65.23 ? 1262 GLU B OE1 1 ATOM 1639 O OE2 . GLU B 2 31 ? -13.853 -5.179 -7.412 1.00 66.29 ? 1262 GLU B OE2 1 ATOM 1640 N N . MET B 2 32 ? -18.182 -9.961 -6.842 1.00 61.01 ? 1263 MET B N 1 ATOM 1641 C CA . MET B 2 32 ? -18.972 -11.080 -7.340 1.00 62.57 ? 1263 MET B CA 1 ATOM 1642 C C . MET B 2 32 ? -20.302 -10.622 -7.913 1.00 64.09 ? 1263 MET B C 1 ATOM 1643 O O . MET B 2 32 ? -20.752 -11.121 -8.950 1.00 66.84 ? 1263 MET B O 1 ATOM 1644 C CB . MET B 2 32 ? -19.231 -12.098 -6.232 1.00 57.08 ? 1263 MET B CB 1 ATOM 1645 C CG . MET B 2 32 ? -18.031 -12.909 -5.810 1.00 49.48 ? 1263 MET B CG 1 ATOM 1646 S SD . MET B 2 32 ? -18.614 -14.352 -4.907 1.00 56.63 ? 1263 MET B SD 1 ATOM 1647 C CE . MET B 2 32 ? -19.261 -15.360 -6.244 1.00 53.68 ? 1263 MET B CE 1 ATOM 1648 N N . THR B 2 33 ? -20.926 -9.664 -7.235 1.00 58.33 ? 1264 THR B N 1 ATOM 1649 C CA . THR B 2 33 ? -22.304 -9.292 -7.526 1.00 65.29 ? 1264 THR B CA 1 ATOM 1650 C C . THR B 2 33 ? -22.422 -8.090 -8.464 1.00 65.53 ? 1264 THR B C 1 ATOM 1651 O O . THR B 2 33 ? -23.456 -7.894 -9.103 1.00 67.69 ? 1264 THR B O 1 ATOM 1652 C CB . THR B 2 33 ? -23.061 -8.989 -6.224 1.00 65.79 ? 1264 THR B CB 1 ATOM 1653 O OG1 . THR B 2 33 ? -22.605 -7.743 -5.678 1.00 56.32 ? 1264 THR B OG1 1 ATOM 1654 C CG2 . THR B 2 33 ? -22.825 -10.104 -5.212 1.00 66.27 ? 1264 THR B CG2 1 ATOM 1655 N N . SER B 2 34 ? -21.357 -7.301 -8.552 1.00 66.47 ? 1265 SER B N 1 ATOM 1656 C CA . SER B 2 34 ? -21.369 -6.067 -9.331 1.00 66.34 ? 1265 SER B CA 1 ATOM 1657 C C . SER B 2 34 ? -21.709 -6.318 -10.792 1.00 70.66 ? 1265 SER B C 1 ATOM 1658 O O . SER B 2 34 ? -22.388 -5.510 -11.438 1.00 68.53 ? 1265 SER B O 1 ATOM 1659 C CB . SER B 2 34 ? -20.013 -5.369 -9.233 1.00 66.93 ? 1265 SER B CB 1 ATOM 1660 O OG . SER B 2 34 ? -20.137 -3.982 -9.478 1.00 75.17 ? 1265 SER B OG 1 ATOM 1661 N N . GLY B 2 35 ? -21.239 -7.447 -11.310 1.00 75.46 ? 1266 GLY B N 1 ATOM 1662 C CA . GLY B 2 35 ? -21.350 -7.721 -12.727 1.00 84.58 ? 1266 GLY B CA 1 ATOM 1663 C C . GLY B 2 35 ? -20.365 -6.842 -13.472 1.00 91.11 ? 1266 GLY B C 1 ATOM 1664 O O . GLY B 2 35 ? -20.668 -6.310 -14.542 1.00 99.60 ? 1266 GLY B O 1 ATOM 1665 N N . VAL B 2 36 ? -19.178 -6.683 -12.891 1.00 81.04 ? 1267 VAL B N 1 ATOM 1666 C CA . VAL B 2 36 ? -18.136 -5.854 -13.487 1.00 81.93 ? 1267 VAL B CA 1 ATOM 1667 C C . VAL B 2 36 ? -16.950 -6.694 -13.982 1.00 91.64 ? 1267 VAL B C 1 ATOM 1668 O O . VAL B 2 36 ? -16.181 -6.241 -14.832 1.00 95.73 ? 1267 VAL B O 1 ATOM 1669 C CB . VAL B 2 36 ? -17.637 -4.787 -12.484 1.00 75.94 ? 1267 VAL B CB 1 ATOM 1670 C CG1 . VAL B 2 36 ? -16.504 -3.967 -13.078 1.00 73.10 ? 1267 VAL B CG1 1 ATOM 1671 C CG2 . VAL B 2 36 ? -18.782 -3.878 -12.064 1.00 78.80 ? 1267 VAL B CG2 1 ATOM 1672 N N . GLU B 2 37 ? -16.815 -7.921 -13.474 1.00 88.44 ? 1268 GLU B N 1 ATOM 1673 C CA . GLU B 2 37 ? -15.678 -8.771 -13.838 1.00 93.65 ? 1268 GLU B CA 1 ATOM 1674 C C . GLU B 2 37 ? -16.061 -10.195 -14.259 1.00 100.12 ? 1268 GLU B C 1 ATOM 1675 O O . GLU B 2 37 ? -17.188 -10.448 -14.685 1.00 104.22 ? 1268 GLU B O 1 ATOM 1676 C CB . GLU B 2 37 ? -14.685 -8.835 -12.679 1.00 103.05 ? 1268 GLU B CB 1 ATOM 1677 C CG . GLU B 2 37 ? -13.288 -8.395 -13.066 1.00 109.35 ? 1268 GLU B CG 1 ATOM 1678 C CD . GLU B 2 37 ? -13.273 -7.007 -13.675 1.00 111.56 ? 1268 GLU B CD 1 ATOM 1679 O OE1 . GLU B 2 37 ? -12.551 -6.802 -14.674 1.00 112.60 ? 1268 GLU B OE1 1 ATOM 1680 O OE2 . GLU B 2 37 ? -13.982 -6.122 -13.151 1.00 112.54 ? 1268 GLU B OE2 1 ATOM 1681 N N . GLU B 2 38 ? -15.106 -11.117 -14.141 1.00 99.00 ? 1269 GLU B N 1 ATOM 1682 C CA . GLU B 2 38 ? -15.279 -12.485 -14.630 1.00 98.02 ? 1269 GLU B CA 1 ATOM 1683 C C . GLU B 2 38 ? -15.149 -13.528 -13.522 1.00 94.26 ? 1269 GLU B C 1 ATOM 1684 O O . GLU B 2 38 ? -14.056 -13.781 -13.016 1.00 93.04 ? 1269 GLU B O 1 ATOM 1685 C CB . GLU B 2 38 ? -14.263 -12.780 -15.735 1.00 104.35 ? 1269 GLU B CB 1 ATOM 1686 N N . ILE B 2 39 ? -16.270 -14.148 -13.170 1.00 92.13 ? 1270 ILE B N 1 ATOM 1687 C CA . ILE B 2 39 ? -16.322 -15.084 -12.050 1.00 84.52 ? 1270 ILE B CA 1 ATOM 1688 C C . ILE B 2 39 ? -16.284 -16.534 -12.519 1.00 85.48 ? 1270 ILE B C 1 ATOM 1689 O O . ILE B 2 39 ? -16.955 -16.889 -13.487 1.00 88.05 ? 1270 ILE B O 1 ATOM 1690 C CB . ILE B 2 39 ? -17.590 -14.855 -11.217 1.00 74.74 ? 1270 ILE B CB 1 ATOM 1691 C CG1 . ILE B 2 39 ? -17.642 -13.399 -10.749 1.00 68.31 ? 1270 ILE B CG1 1 ATOM 1692 C CG2 . ILE B 2 39 ? -17.649 -15.832 -10.046 1.00 74.63 ? 1270 ILE B CG2 1 ATOM 1693 C CD1 . ILE B 2 39 ? -19.010 -12.791 -10.815 1.00 62.90 ? 1270 ILE B CD1 1 ATOM 1694 N N . PRO B 2 40 ? -15.499 -17.380 -11.833 1.00 70.47 ? 1271 PRO B N 1 ATOM 1695 C CA . PRO B 2 40 ? -15.411 -18.793 -12.231 1.00 76.73 ? 1271 PRO B CA 1 ATOM 1696 C C . PRO B 2 40 ? -16.775 -19.473 -12.133 1.00 80.10 ? 1271 PRO B C 1 ATOM 1697 O O . PRO B 2 40 ? -17.520 -19.177 -11.199 1.00 81.49 ? 1271 PRO B O 1 ATOM 1698 C CB . PRO B 2 40 ? -14.423 -19.392 -11.221 1.00 81.97 ? 1271 PRO B CB 1 ATOM 1699 C CG . PRO B 2 40 ? -13.697 -18.212 -10.625 1.00 70.17 ? 1271 PRO B CG 1 ATOM 1700 C CD . PRO B 2 40 ? -14.685 -17.084 -10.642 1.00 68.96 ? 1271 PRO B CD 1 ATOM 1701 N N . PRO B 2 41 ? -17.107 -20.361 -13.085 1.00 76.42 ? 1272 PRO B N 1 ATOM 1702 C CA . PRO B 2 41 ? -18.423 -21.012 -13.029 1.00 78.31 ? 1272 PRO B CA 1 ATOM 1703 C C . PRO B 2 41 ? -18.610 -21.863 -11.771 1.00 76.84 ? 1272 PRO B C 1 ATOM 1704 O O . PRO B 2 41 ? -19.746 -22.126 -11.374 1.00 76.39 ? 1272 PRO B O 1 ATOM 1705 C CB . PRO B 2 41 ? -18.442 -21.887 -14.291 1.00 81.96 ? 1272 PRO B CB 1 ATOM 1706 C CG . PRO B 2 41 ? -17.006 -22.095 -14.642 1.00 83.62 ? 1272 PRO B CG 1 ATOM 1707 C CD . PRO B 2 41 ? -16.304 -20.828 -14.227 1.00 89.82 ? 1272 PRO B CD 1 ATOM 1708 N N . GLY B 2 42 ? -17.504 -22.271 -11.153 1.00 77.00 ? 1273 GLY B N 1 ATOM 1709 C CA . GLY B 2 42 ? -17.547 -23.059 -9.936 1.00 84.12 ? 1273 GLY B CA 1 ATOM 1710 C C . GLY B 2 42 ? -18.106 -22.316 -8.730 1.00 78.96 ? 1273 GLY B C 1 ATOM 1711 O O . GLY B 2 42 ? -18.566 -22.943 -7.775 1.00 74.92 ? 1273 GLY B O 1 ATOM 1712 N N . ILE B 2 43 ? -18.069 -20.986 -8.768 1.00 71.92 ? 1274 ILE B N 1 ATOM 1713 C CA . ILE B 2 43 ? -18.603 -20.181 -7.668 1.00 76.88 ? 1274 ILE B CA 1 ATOM 1714 C C . ILE B 2 43 ? -19.697 -19.204 -8.107 1.00 67.48 ? 1274 ILE B C 1 ATOM 1715 O O . ILE B 2 43 ? -20.359 -18.590 -7.269 1.00 61.23 ? 1274 ILE B O 1 ATOM 1716 C CB . ILE B 2 43 ? -17.488 -19.377 -6.962 1.00 74.72 ? 1274 ILE B CB 1 ATOM 1717 C CG1 . ILE B 2 43 ? -16.828 -18.392 -7.935 1.00 63.13 ? 1274 ILE B CG1 1 ATOM 1718 C CG2 . ILE B 2 43 ? -16.461 -20.322 -6.335 1.00 67.27 ? 1274 ILE B CG2 1 ATOM 1719 C CD1 . ILE B 2 43 ? -15.787 -17.504 -7.278 1.00 62.48 ? 1274 ILE B CD1 1 ATOM 1720 N N . LEU B 2 44 ? -19.883 -19.069 -9.417 1.00 65.97 ? 1275 LEU B N 1 ATOM 1721 C CA . LEU B 2 44 ? -20.880 -18.152 -9.968 1.00 64.82 ? 1275 LEU B CA 1 ATOM 1722 C C . LEU B 2 44 ? -22.238 -18.357 -9.289 1.00 63.83 ? 1275 LEU B C 1 ATOM 1723 O O . LEU B 2 44 ? -22.701 -19.491 -9.145 1.00 65.88 ? 1275 LEU B O 1 ATOM 1724 C CB . LEU B 2 44 ? -20.984 -18.347 -11.486 1.00 72.37 ? 1275 LEU B CB 1 ATOM 1725 C CG . LEU B 2 44 ? -21.796 -17.368 -12.343 1.00 82.06 ? 1275 LEU B CG 1 ATOM 1726 C CD1 . LEU B 2 44 ? -23.253 -17.774 -12.394 1.00 87.56 ? 1275 LEU B CD1 1 ATOM 1727 C CD2 . LEU B 2 44 ? -21.659 -15.942 -11.836 1.00 79.79 ? 1275 LEU B CD2 1 ATOM 1728 N N . ASN B 2 45 ? -22.844 -17.261 -8.835 1.00 60.76 ? 1276 ASN B N 1 ATOM 1729 C CA . ASN B 2 45 ? -24.137 -17.298 -8.145 1.00 59.57 ? 1276 ASN B CA 1 ATOM 1730 C C . ASN B 2 45 ? -24.144 -18.045 -6.807 1.00 66.25 ? 1276 ASN B C 1 ATOM 1731 O O . ASN B 2 45 ? -25.218 -18.351 -6.281 1.00 58.50 ? 1276 ASN B O 1 ATOM 1732 C CB . ASN B 2 45 ? -25.204 -17.918 -9.054 1.00 69.15 ? 1276 ASN B CB 1 ATOM 1733 C CG . ASN B 2 45 ? -25.532 -17.049 -10.246 1.00 75.73 ? 1276 ASN B CG 1 ATOM 1734 O OD1 . ASN B 2 45 ? -25.413 -15.826 -10.189 1.00 79.72 ? 1276 ASN B OD1 1 ATOM 1735 N ND2 . ASN B 2 45 ? -25.956 -17.678 -11.335 1.00 76.74 ? 1276 ASN B ND2 1 ATOM 1736 N N . LYS B 2 46 ? -22.968 -18.341 -6.253 1.00 58.59 ? 1277 LYS B N 1 ATOM 1737 C CA . LYS B 2 46 ? -22.910 -19.043 -4.973 1.00 58.02 ? 1277 LYS B CA 1 ATOM 1738 C C . LYS B 2 46 ? -22.368 -18.167 -3.842 1.00 55.40 ? 1277 LYS B C 1 ATOM 1739 O O . LYS B 2 46 ? -21.714 -18.662 -2.918 1.00 54.53 ? 1277 LYS B O 1 ATOM 1740 C CB . LYS B 2 46 ? -22.056 -20.308 -5.096 1.00 61.47 ? 1277 LYS B CB 1 ATOM 1741 C CG . LYS B 2 46 ? -22.650 -21.372 -6.012 1.00 64.62 ? 1277 LYS B CG 1 ATOM 1742 C CD . LYS B 2 46 ? -21.825 -22.639 -5.953 1.00 67.54 ? 1277 LYS B CD 1 ATOM 1743 C CE . LYS B 2 46 ? -22.413 -23.737 -6.828 1.00 77.88 ? 1277 LYS B CE 1 ATOM 1744 N NZ . LYS B 2 46 ? -21.653 -25.012 -6.685 1.00 80.19 ? 1277 LYS B NZ 1 ATOM 1745 N N . GLU B 2 47 ? -22.649 -16.871 -3.917 1.00 49.77 ? 1278 GLU B N 1 ATOM 1746 C CA . GLU B 2 47 ? -22.151 -15.928 -2.916 1.00 50.66 ? 1278 GLU B CA 1 ATOM 1747 C C . GLU B 2 47 ? -22.773 -16.160 -1.542 1.00 49.35 ? 1278 GLU B C 1 ATOM 1748 O O . GLU B 2 47 ? -22.145 -15.878 -0.523 1.00 47.64 ? 1278 GLU B O 1 ATOM 1749 C CB . GLU B 2 47 ? -22.389 -14.484 -3.368 1.00 55.36 ? 1278 GLU B CB 1 ATOM 1750 C CG . GLU B 2 47 ? -23.846 -14.114 -3.631 1.00 59.45 ? 1278 GLU B CG 1 ATOM 1751 C CD . GLU B 2 47 ? -24.232 -14.201 -5.105 1.00 60.92 ? 1278 GLU B CD 1 ATOM 1752 O OE1 . GLU B 2 47 ? -23.522 -14.875 -5.881 1.00 55.56 ? 1278 GLU B OE1 1 ATOM 1753 O OE2 . GLU B 2 47 ? -25.247 -13.579 -5.488 1.00 60.83 ? 1278 GLU B OE2 1 ATOM 1754 N N . HIS B 2 48 ? -23.996 -16.681 -1.495 1.00 50.34 ? 1279 HIS B N 1 ATOM 1755 C CA . HIS B 2 48 ? -24.614 -16.958 -0.196 1.00 57.82 ? 1279 HIS B CA 1 ATOM 1756 C C . HIS B 2 48 ? -23.929 -18.115 0.561 1.00 50.40 ? 1279 HIS B C 1 ATOM 1757 O O . HIS B 2 48 ? -24.002 -18.198 1.791 1.00 51.40 ? 1279 HIS B O 1 ATOM 1758 C CB . HIS B 2 48 ? -26.103 -17.259 -0.353 1.00 61.93 ? 1279 HIS B CB 1 ATOM 1759 C CG . HIS B 2 48 ? -26.810 -17.421 0.956 1.00 79.17 ? 1279 HIS B CG 1 ATOM 1760 N ND1 . HIS B 2 48 ? -26.667 -16.520 1.991 1.00 77.90 ? 1279 HIS B ND1 1 ATOM 1761 C CD2 . HIS B 2 48 ? -27.640 -18.388 1.411 1.00 90.83 ? 1279 HIS B CD2 1 ATOM 1762 C CE1 . HIS B 2 48 ? -27.390 -16.919 3.022 1.00 81.35 ? 1279 HIS B CE1 1 ATOM 1763 N NE2 . HIS B 2 48 ? -27.990 -18.050 2.697 1.00 90.87 ? 1279 HIS B NE2 1 ATOM 1764 N N . ILE B 2 49 ? -23.265 -19.012 -0.157 1.00 50.31 ? 1280 ILE B N 1 ATOM 1765 C CA . ILE B 2 49 ? -22.515 -20.069 0.516 1.00 50.37 ? 1280 ILE B CA 1 ATOM 1766 C C . ILE B 2 49 ? -21.181 -19.524 1.007 1.00 50.20 ? 1280 ILE B C 1 ATOM 1767 O O . ILE B 2 49 ? -20.749 -19.795 2.139 1.00 46.46 ? 1280 ILE B O 1 ATOM 1768 C CB . ILE B 2 49 ? -22.256 -21.282 -0.404 1.00 51.50 ? 1280 ILE B CB 1 ATOM 1769 C CG1 . ILE B 2 49 ? -23.570 -21.804 -0.989 1.00 59.62 ? 1280 ILE B CG1 1 ATOM 1770 C CG2 . ILE B 2 49 ? -21.512 -22.373 0.359 1.00 53.54 ? 1280 ILE B CG2 1 ATOM 1771 C CD1 . ILE B 2 49 ? -24.634 -22.063 0.054 1.00 68.07 ? 1280 ILE B CD1 1 ATOM 1772 N N . ILE B 2 50 ? -20.533 -18.739 0.154 1.00 49.47 ? 1281 ILE B N 1 ATOM 1773 C CA . ILE B 2 50 ? -19.230 -18.171 0.483 1.00 45.02 ? 1281 ILE B CA 1 ATOM 1774 C C . ILE B 2 50 ? -19.281 -17.214 1.677 1.00 48.68 ? 1281 ILE B C 1 ATOM 1775 O O . ILE B 2 50 ? -18.453 -17.303 2.584 1.00 47.43 ? 1281 ILE B O 1 ATOM 1776 C CB . ILE B 2 50 ? -18.636 -17.420 -0.734 1.00 48.57 ? 1281 ILE B CB 1 ATOM 1777 C CG1 . ILE B 2 50 ? -18.325 -18.405 -1.866 1.00 50.83 ? 1281 ILE B CG1 1 ATOM 1778 C CG2 . ILE B 2 50 ? -17.379 -16.654 -0.325 1.00 41.14 ? 1281 ILE B CG2 1 ATOM 1779 C CD1 . ILE B 2 50 ? -17.476 -17.828 -2.967 1.00 53.81 ? 1281 ILE B CD1 1 ATOM 1780 N N . PHE B 2 51 ? -20.249 -16.302 1.677 1.00 45.44 ? 1282 PHE B N 1 ATOM 1781 C CA . PHE B 2 51 ? -20.296 -15.248 2.697 1.00 39.74 ? 1282 PHE B CA 1 ATOM 1782 C C . PHE B 2 51 ? -21.286 -15.535 3.833 1.00 42.85 ? 1282 PHE B C 1 ATOM 1783 O O . PHE B 2 51 ? -21.343 -14.793 4.809 1.00 40.36 ? 1282 PHE B O 1 ATOM 1784 C CB . PHE B 2 51 ? -20.635 -13.900 2.038 1.00 39.50 ? 1282 PHE B CB 1 ATOM 1785 C CG . PHE B 2 51 ? -19.574 -13.408 1.095 1.00 43.22 ? 1282 PHE B CG 1 ATOM 1786 C CD1 . PHE B 2 51 ? -18.459 -12.751 1.574 1.00 37.59 ? 1282 PHE B CD1 1 ATOM 1787 C CD2 . PHE B 2 51 ? -19.678 -13.626 -0.272 1.00 44.32 ? 1282 PHE B CD2 1 ATOM 1788 C CE1 . PHE B 2 51 ? -17.471 -12.306 0.721 1.00 38.67 ? 1282 PHE B CE1 1 ATOM 1789 C CE2 . PHE B 2 51 ? -18.692 -13.179 -1.133 1.00 46.37 ? 1282 PHE B CE2 1 ATOM 1790 C CZ . PHE B 2 51 ? -17.583 -12.519 -0.635 1.00 38.96 ? 1282 PHE B CZ 1 ATOM 1791 N N . GLY B 2 52 ? -22.063 -16.606 3.710 1.00 43.66 ? 1283 GLY B N 1 ATOM 1792 C CA . GLY B 2 52 ? -23.082 -16.902 4.703 1.00 42.92 ? 1283 GLY B CA 1 ATOM 1793 C C . GLY B 2 52 ? -24.015 -15.726 4.948 1.00 41.81 ? 1283 GLY B C 1 ATOM 1794 O O . GLY B 2 52 ? -24.448 -15.054 4.004 1.00 42.82 ? 1283 GLY B O 1 ATOM 1795 N N . ASN B 2 53 ? -24.326 -15.475 6.215 1.00 40.64 ? 1284 ASN B N 1 ATOM 1796 C CA . ASN B 2 53 ? -25.191 -14.360 6.575 1.00 35.75 ? 1284 ASN B CA 1 ATOM 1797 C C . ASN B 2 53 ? -24.399 -13.199 7.145 1.00 38.83 ? 1284 ASN B C 1 ATOM 1798 O O . ASN B 2 53 ? -24.858 -12.520 8.067 1.00 37.09 ? 1284 ASN B O 1 ATOM 1799 C CB . ASN B 2 53 ? -26.277 -14.809 7.567 1.00 33.20 ? 1284 ASN B CB 1 ATOM 1800 C CG . ASN B 2 53 ? -25.710 -15.371 8.886 1.00 38.90 ? 1284 ASN B CG 1 ATOM 1801 O OD1 . ASN B 2 53 ? -24.563 -15.823 8.964 1.00 40.20 ? 1284 ASN B OD1 1 ATOM 1802 N ND2 . ASN B 2 53 ? -26.540 -15.352 9.927 1.00 38.91 ? 1284 ASN B ND2 1 ATOM 1803 N N . ILE B 2 54 ? -23.209 -12.959 6.599 1.00 38.05 ? 1285 ILE B N 1 ATOM 1804 C CA . ILE B 2 54 ? -22.350 -11.912 7.149 1.00 36.18 ? 1285 ILE B CA 1 ATOM 1805 C C . ILE B 2 54 ? -22.945 -10.519 6.889 1.00 35.07 ? 1285 ILE B C 1 ATOM 1806 O O . ILE B 2 54 ? -22.699 -9.591 7.666 1.00 34.90 ? 1285 ILE B O 1 ATOM 1807 C CB . ILE B 2 54 ? -20.907 -11.996 6.591 1.00 38.26 ? 1285 ILE B CB 1 ATOM 1808 C CG1 . ILE B 2 54 ? -19.898 -11.360 7.571 1.00 32.33 ? 1285 ILE B CG1 1 ATOM 1809 C CG2 . ILE B 2 54 ? -20.826 -11.414 5.185 1.00 37.64 ? 1285 ILE B CG2 1 ATOM 1810 C CD1 . ILE B 2 54 ? -18.449 -11.603 7.192 1.00 29.43 ? 1285 ILE B CD1 1 ATOM 1811 N N . GLN B 2 55 ? -23.740 -10.378 5.826 1.00 32.51 ? 1286 GLN B N 1 ATOM 1812 C CA . GLN B 2 55 ? -24.495 -9.138 5.591 1.00 33.36 ? 1286 GLN B CA 1 ATOM 1813 C C . GLN B 2 55 ? -25.414 -8.805 6.776 1.00 35.60 ? 1286 GLN B C 1 ATOM 1814 O O . GLN B 2 55 ? -25.437 -7.673 7.260 1.00 30.78 ? 1286 GLN B O 1 ATOM 1815 C CB . GLN B 2 55 ? -25.339 -9.229 4.317 1.00 35.83 ? 1286 GLN B CB 1 ATOM 1816 C CG . GLN B 2 55 ? -26.175 -7.974 4.060 1.00 39.70 ? 1286 GLN B CG 1 ATOM 1817 C CD . GLN B 2 55 ? -25.333 -6.811 3.558 1.00 44.52 ? 1286 GLN B CD 1 ATOM 1818 O OE1 . GLN B 2 55 ? -24.690 -6.904 2.507 1.00 44.71 ? 1286 GLN B OE1 1 ATOM 1819 N NE2 . GLN B 2 55 ? -25.328 -5.709 4.310 1.00 41.63 ? 1286 GLN B NE2 1 ATOM 1820 N N . GLU B 2 56 ? -26.181 -9.801 7.217 1.00 37.65 ? 1287 GLU B N 1 ATOM 1821 C CA . GLU B 2 56 ? -27.105 -9.638 8.334 1.00 37.36 ? 1287 GLU B CA 1 ATOM 1822 C C . GLU B 2 56 ? -26.356 -9.355 9.637 1.00 30.78 ? 1287 GLU B C 1 ATOM 1823 O O . GLU B 2 56 ? -26.828 -8.584 10.479 1.00 31.57 ? 1287 GLU B O 1 ATOM 1824 C CB . GLU B 2 56 ? -27.984 -10.882 8.485 1.00 34.47 ? 1287 GLU B CB 1 ATOM 1825 C CG . GLU B 2 56 ? -29.085 -11.010 7.407 1.00 44.20 ? 1287 GLU B CG 1 ATOM 1826 C CD . GLU B 2 56 ? -28.571 -11.417 6.026 1.00 51.67 ? 1287 GLU B CD 1 ATOM 1827 O OE1 . GLU B 2 56 ? -27.518 -12.078 5.924 1.00 44.17 ? 1287 GLU B OE1 1 ATOM 1828 O OE2 . GLU B 2 56 ? -29.237 -11.072 5.023 1.00 65.46 ? 1287 GLU B OE2 1 ATOM 1829 N N . ILE B 2 57 ? -25.190 -9.969 9.805 1.00 28.54 ? 1288 ILE B N 1 ATOM 1830 C CA . ILE B 2 57 ? -24.407 -9.756 11.018 1.00 31.83 ? 1288 ILE B CA 1 ATOM 1831 C C . ILE B 2 57 ? -23.852 -8.331 11.020 1.00 29.36 ? 1288 ILE B C 1 ATOM 1832 O O . ILE B 2 57 ? -23.923 -7.631 12.039 1.00 28.09 ? 1288 ILE B O 1 ATOM 1833 C CB . ILE B 2 57 ? -23.291 -10.820 11.155 1.00 28.94 ? 1288 ILE B CB 1 ATOM 1834 C CG1 . ILE B 2 57 ? -23.933 -12.206 11.354 1.00 34.12 ? 1288 ILE B CG1 1 ATOM 1835 C CG2 . ILE B 2 57 ? -22.296 -10.471 12.301 1.00 28.44 ? 1288 ILE B CG2 1 ATOM 1836 C CD1 . ILE B 2 57 ? -22.946 -13.384 11.480 1.00 31.97 ? 1288 ILE B CD1 1 ATOM 1837 N N . TYR B 2 58 ? -23.326 -7.890 9.883 1.00 30.03 ? 1289 TYR B N 1 ATOM 1838 C CA . TYR B 2 58 ? -22.891 -6.502 9.730 1.00 29.00 ? 1289 TYR B CA 1 ATOM 1839 C C . TYR B 2 58 ? -24.013 -5.493 10.023 1.00 25.62 ? 1289 TYR B C 1 ATOM 1840 O O . TYR B 2 58 ? -23.789 -4.508 10.736 1.00 29.98 ? 1289 TYR B O 1 ATOM 1841 C CB . TYR B 2 58 ? -22.349 -6.262 8.310 1.00 31.91 ? 1289 TYR B CB 1 ATOM 1842 C CG . TYR B 2 58 ? -22.109 -4.795 7.978 1.00 29.56 ? 1289 TYR B CG 1 ATOM 1843 C CD1 . TYR B 2 58 ? -20.997 -4.119 8.487 1.00 27.43 ? 1289 TYR B CD1 1 ATOM 1844 C CD2 . TYR B 2 58 ? -22.997 -4.087 7.163 1.00 32.67 ? 1289 TYR B CD2 1 ATOM 1845 C CE1 . TYR B 2 58 ? -20.774 -2.781 8.179 1.00 30.60 ? 1289 TYR B CE1 1 ATOM 1846 C CE2 . TYR B 2 58 ? -22.788 -2.744 6.856 1.00 31.86 ? 1289 TYR B CE2 1 ATOM 1847 C CZ . TYR B 2 58 ? -21.668 -2.105 7.358 1.00 34.87 ? 1289 TYR B CZ 1 ATOM 1848 O OH . TYR B 2 58 ? -21.453 -0.781 7.053 1.00 34.77 ? 1289 TYR B OH 1 ATOM 1849 N N . ASP B 2 59 ? -25.203 -5.728 9.468 1.00 24.53 ? 1290 ASP B N 1 ATOM 1850 C CA . ASP B 2 59 ? -26.315 -4.803 9.651 1.00 28.38 ? 1290 ASP B CA 1 ATOM 1851 C C . ASP B 2 59 ? -26.626 -4.649 11.142 1.00 30.24 ? 1290 ASP B C 1 ATOM 1852 O O . ASP B 2 59 ? -26.881 -3.543 11.616 1.00 28.99 ? 1290 ASP B O 1 ATOM 1853 C CB . ASP B 2 59 ? -27.573 -5.270 8.916 1.00 30.05 ? 1290 ASP B CB 1 ATOM 1854 C CG . ASP B 2 59 ? -27.485 -5.107 7.391 1.00 36.07 ? 1290 ASP B CG 1 ATOM 1855 O OD1 . ASP B 2 59 ? -26.747 -4.226 6.904 1.00 35.61 ? 1290 ASP B OD1 1 ATOM 1856 O OD2 . ASP B 2 59 ? -28.193 -5.853 6.682 1.00 38.08 ? 1290 ASP B OD2 1 ATOM 1857 N N . PHE B 2 60 ? -26.610 -5.760 11.876 1.00 26.69 ? 1291 PHE B N 1 ATOM 1858 C CA . PHE B 2 60 ? -26.868 -5.704 13.313 1.00 28.23 ? 1291 PHE B CA 1 ATOM 1859 C C . PHE B 2 60 ? -25.832 -4.841 14.048 1.00 29.82 ? 1291 PHE B C 1 ATOM 1860 O O . PHE B 2 60 ? -26.209 -3.955 14.816 1.00 27.23 ? 1291 PHE B O 1 ATOM 1861 C CB . PHE B 2 60 ? -26.906 -7.125 13.891 1.00 26.87 ? 1291 PHE B CB 1 ATOM 1862 C CG . PHE B 2 60 ? -26.815 -7.192 15.406 1.00 30.95 ? 1291 PHE B CG 1 ATOM 1863 C CD1 . PHE B 2 60 ? -27.716 -6.513 16.210 1.00 30.78 ? 1291 PHE B CD1 1 ATOM 1864 C CD2 . PHE B 2 60 ? -25.840 -7.970 16.007 1.00 25.20 ? 1291 PHE B CD2 1 ATOM 1865 C CE1 . PHE B 2 60 ? -27.630 -6.587 17.603 1.00 29.84 ? 1291 PHE B CE1 1 ATOM 1866 C CE2 . PHE B 2 60 ? -25.743 -8.059 17.395 1.00 28.46 ? 1291 PHE B CE2 1 ATOM 1867 C CZ . PHE B 2 60 ? -26.653 -7.370 18.194 1.00 31.18 ? 1291 PHE B CZ 1 ATOM 1868 N N . HIS B 2 61 ? -24.542 -5.054 13.802 1.00 26.41 ? 1292 HIS B N 1 ATOM 1869 C CA . HIS B 2 61 ? -23.545 -4.291 14.558 1.00 25.22 ? 1292 HIS B CA 1 ATOM 1870 C C . HIS B 2 61 ? -23.476 -2.830 14.092 1.00 27.26 ? 1292 HIS B C 1 ATOM 1871 O O . HIS B 2 61 ? -23.334 -1.921 14.930 1.00 27.30 ? 1292 HIS B O 1 ATOM 1872 C CB . HIS B 2 61 ? -22.165 -4.949 14.476 1.00 24.89 ? 1292 HIS B CB 1 ATOM 1873 C CG . HIS B 2 61 ? -22.080 -6.254 15.211 1.00 27.73 ? 1292 HIS B CG 1 ATOM 1874 N ND1 . HIS B 2 61 ? -21.596 -6.351 16.499 1.00 23.67 ? 1292 HIS B ND1 1 ATOM 1875 C CD2 . HIS B 2 61 ? -22.441 -7.507 14.847 1.00 30.93 ? 1292 HIS B CD2 1 ATOM 1876 C CE1 . HIS B 2 61 ? -21.656 -7.612 16.893 1.00 26.15 ? 1292 HIS B CE1 1 ATOM 1877 N NE2 . HIS B 2 61 ? -22.158 -8.335 15.907 1.00 27.78 ? 1292 HIS B NE2 1 ATOM 1878 N N . ASN B 2 62 ? -23.588 -2.606 12.779 1.00 24.82 ? 1293 ASN B N 1 ATOM 1879 C CA . ASN B 2 62 ? -23.578 -1.255 12.214 1.00 29.96 ? 1293 ASN B CA 1 ATOM 1880 C C . ASN B 2 62 ? -24.824 -0.434 12.594 1.00 30.11 ? 1293 ASN B C 1 ATOM 1881 O O . ASN B 2 62 ? -24.705 0.741 12.944 1.00 32.14 ? 1293 ASN B O 1 ATOM 1882 C CB . ASN B 2 62 ? -23.452 -1.314 10.672 1.00 27.15 ? 1293 ASN B CB 1 ATOM 1883 C CG . ASN B 2 62 ? -23.143 0.046 10.057 1.00 34.84 ? 1293 ASN B CG 1 ATOM 1884 O OD1 . ASN B 2 62 ? -22.289 0.785 10.550 1.00 34.75 ? 1293 ASN B OD1 1 ATOM 1885 N ND2 . ASN B 2 62 ? -23.843 0.381 8.972 1.00 35.45 ? 1293 ASN B ND2 1 ATOM 1886 N N . ASN B 2 63 ? -26.013 -1.034 12.505 1.00 23.13 ? 1294 ASN B N 1 ATOM 1887 C CA . ASN B 2 63 ? -27.252 -0.301 12.777 1.00 25.78 ? 1294 ASN B CA 1 ATOM 1888 C C . ASN B 2 63 ? -27.601 -0.192 14.273 1.00 30.27 ? 1294 ASN B C 1 ATOM 1889 O O . ASN B 2 63 ? -28.220 0.795 14.707 1.00 31.96 ? 1294 ASN B O 1 ATOM 1890 C CB . ASN B 2 63 ? -28.441 -0.957 12.049 1.00 28.98 ? 1294 ASN B CB 1 ATOM 1891 C CG . ASN B 2 63 ? -28.306 -0.922 10.525 1.00 35.17 ? 1294 ASN B CG 1 ATOM 1892 O OD1 . ASN B 2 63 ? -27.540 -0.136 9.972 1.00 33.49 ? 1294 ASN B OD1 1 ATOM 1893 N ND2 . ASN B 2 63 ? -29.070 -1.780 9.844 1.00 35.19 ? 1294 ASN B ND2 1 ATOM 1894 N N . ILE B 2 64 ? -27.241 -1.207 15.059 1.00 25.60 ? 1295 ILE B N 1 ATOM 1895 C CA . ILE B 2 64 ? -27.756 -1.290 16.431 1.00 25.15 ? 1295 ILE B CA 1 ATOM 1896 C C . ILE B 2 64 ? -26.660 -1.420 17.502 1.00 29.56 ? 1295 ILE B C 1 ATOM 1897 O O . ILE B 2 64 ? -26.546 -0.560 18.383 1.00 26.56 ? 1295 ILE B O 1 ATOM 1898 C CB . ILE B 2 64 ? -28.748 -2.477 16.576 1.00 23.56 ? 1295 ILE B CB 1 ATOM 1899 C CG1 . ILE B 2 64 ? -29.972 -2.279 15.653 1.00 29.10 ? 1295 ILE B CG1 1 ATOM 1900 C CG2 . ILE B 2 64 ? -29.186 -2.666 18.057 1.00 27.46 ? 1295 ILE B CG2 1 ATOM 1901 C CD1 . ILE B 2 64 ? -30.939 -3.485 15.598 1.00 29.66 ? 1295 ILE B CD1 1 ATOM 1902 N N . PHE B 2 65 ? -25.850 -2.481 17.441 1.00 28.28 ? 1296 PHE B N 1 ATOM 1903 C CA . PHE B 2 65 ? -25.046 -2.852 18.619 1.00 27.53 ? 1296 PHE B CA 1 ATOM 1904 C C . PHE B 2 65 ? -23.908 -1.878 18.936 1.00 22.48 ? 1296 PHE B C 1 ATOM 1905 O O . PHE B 2 65 ? -23.669 -1.601 20.116 1.00 24.21 ? 1296 PHE B O 1 ATOM 1906 C CB . PHE B 2 65 ? -24.479 -4.276 18.483 1.00 22.99 ? 1296 PHE B CB 1 ATOM 1907 C CG . PHE B 2 65 ? -24.198 -4.940 19.813 1.00 25.90 ? 1296 PHE B CG 1 ATOM 1908 C CD1 . PHE B 2 65 ? -25.240 -5.195 20.703 1.00 27.01 ? 1296 PHE B CD1 1 ATOM 1909 C CD2 . PHE B 2 65 ? -22.903 -5.294 20.182 1.00 26.40 ? 1296 PHE B CD2 1 ATOM 1910 C CE1 . PHE B 2 65 ? -25.011 -5.794 21.931 1.00 27.34 ? 1296 PHE B CE1 1 ATOM 1911 C CE2 . PHE B 2 65 ? -22.645 -5.906 21.420 1.00 26.29 ? 1296 PHE B CE2 1 ATOM 1912 C CZ . PHE B 2 65 ? -23.706 -6.154 22.314 1.00 22.23 ? 1296 PHE B CZ 1 ATOM 1913 N N . LEU B 2 66 ? -23.200 -1.348 17.926 1.00 22.92 ? 1297 LEU B N 1 ATOM 1914 C CA . LEU B 2 66 ? -22.142 -0.372 18.236 1.00 25.89 ? 1297 LEU B CA 1 ATOM 1915 C C . LEU B 2 66 ? -22.766 0.887 18.859 1.00 26.00 ? 1297 LEU B C 1 ATOM 1916 O O . LEU B 2 66 ? -22.233 1.435 19.829 1.00 24.72 ? 1297 LEU B O 1 ATOM 1917 C CB . LEU B 2 66 ? -21.307 -0.005 16.998 1.00 22.85 ? 1297 LEU B CB 1 ATOM 1918 C CG . LEU B 2 66 ? -20.339 1.190 17.123 1.00 26.90 ? 1297 LEU B CG 1 ATOM 1919 C CD1 . LEU B 2 66 ? -19.285 1.014 18.249 1.00 22.63 ? 1297 LEU B CD1 1 ATOM 1920 C CD2 . LEU B 2 66 ? -19.634 1.488 15.797 1.00 29.84 ? 1297 LEU B CD2 1 ATOM 1921 N N . LYS B 2 67 ? -23.903 1.328 18.335 1.00 24.39 ? 1298 LYS B N 1 ATOM 1922 C CA . LYS B 2 67 ? -24.571 2.499 18.916 1.00 25.47 ? 1298 LYS B CA 1 ATOM 1923 C C . LYS B 2 67 ? -25.009 2.257 20.359 1.00 28.31 ? 1298 LYS B C 1 ATOM 1924 O O . LYS B 2 67 ? -24.945 3.167 21.207 1.00 28.61 ? 1298 LYS B O 1 ATOM 1925 C CB . LYS B 2 67 ? -25.787 2.914 18.071 1.00 27.69 ? 1298 LYS B CB 1 ATOM 1926 C CG . LYS B 2 67 ? -25.428 3.390 16.650 1.00 33.55 ? 1298 LYS B CG 1 ATOM 1927 C CD . LYS B 2 67 ? -26.677 3.950 15.949 1.00 43.46 ? 1298 LYS B CD 1 ATOM 1928 C CE . LYS B 2 67 ? -26.522 3.922 14.428 1.00 45.99 ? 1298 LYS B CE 1 ATOM 1929 N NZ . LYS B 2 67 ? -25.326 4.669 13.974 1.00 50.01 ? 1298 LYS B NZ 1 ATOM 1930 N N . GLU B 2 68 ? -25.466 1.046 20.660 1.00 23.04 ? 1299 GLU B N 1 ATOM 1931 C CA . GLU B 2 68 ? -25.933 0.790 22.028 1.00 25.03 ? 1299 GLU B CA 1 ATOM 1932 C C . GLU B 2 68 ? -24.759 0.604 22.999 1.00 29.01 ? 1299 GLU B C 1 ATOM 1933 O O . GLU B 2 68 ? -24.838 1.080 24.133 1.00 25.17 ? 1299 GLU B O 1 ATOM 1934 C CB . GLU B 2 68 ? -26.885 -0.413 22.066 1.00 22.52 ? 1299 GLU B CB 1 ATOM 1935 C CG . GLU B 2 68 ? -28.235 -0.123 21.395 1.00 25.80 ? 1299 GLU B CG 1 ATOM 1936 C CD . GLU B 2 68 ? -28.936 1.078 22.012 1.00 30.32 ? 1299 GLU B CD 1 ATOM 1937 O OE1 . GLU B 2 68 ? -29.206 1.031 23.229 1.00 27.74 ? 1299 GLU B OE1 1 ATOM 1938 O OE2 . GLU B 2 68 ? -29.207 2.069 21.293 1.00 29.01 ? 1299 GLU B OE2 1 ATOM 1939 N N . LEU B 2 69 ? -23.673 -0.048 22.565 1.00 25.66 ? 1300 LEU B N 1 ATOM 1940 C CA . LEU B 2 69 ? -22.452 -0.129 23.387 1.00 24.07 ? 1300 LEU B CA 1 ATOM 1941 C C . LEU B 2 69 ? -21.898 1.271 23.726 1.00 25.06 ? 1300 LEU B C 1 ATOM 1942 O O . LEU B 2 69 ? -21.447 1.513 24.849 1.00 25.01 ? 1300 LEU B O 1 ATOM 1943 C CB . LEU B 2 69 ? -21.355 -0.956 22.689 1.00 22.88 ? 1300 LEU B CB 1 ATOM 1944 C CG . LEU B 2 69 ? -21.517 -2.477 22.701 1.00 24.08 ? 1300 LEU B CG 1 ATOM 1945 C CD1 . LEU B 2 69 ? -20.424 -3.129 21.861 1.00 26.24 ? 1300 LEU B CD1 1 ATOM 1946 C CD2 . LEU B 2 69 ? -21.539 -3.041 24.133 1.00 23.45 ? 1300 LEU B CD2 1 ATOM 1947 N N . GLU B 2 70 ? -21.938 2.186 22.761 1.00 24.97 ? 1301 GLU B N 1 ATOM 1948 C CA A GLU B 2 70 ? -21.504 3.567 22.982 0.55 27.38 ? 1301 GLU B CA 1 ATOM 1949 C CA B GLU B 2 70 ? -21.483 3.552 23.004 0.45 27.77 ? 1301 GLU B CA 1 ATOM 1950 C C . GLU B 2 70 ? -22.279 4.252 24.112 1.00 29.34 ? 1301 GLU B C 1 ATOM 1951 O O . GLU B 2 70 ? -21.725 5.079 24.851 1.00 26.79 ? 1301 GLU B O 1 ATOM 1952 C CB A GLU B 2 70 ? -21.652 4.388 21.696 0.55 24.48 ? 1301 GLU B CB 1 ATOM 1953 C CB B GLU B 2 70 ? -21.550 4.371 21.715 0.45 25.74 ? 1301 GLU B CB 1 ATOM 1954 C CG A GLU B 2 70 ? -20.731 3.988 20.555 0.55 27.79 ? 1301 GLU B CG 1 ATOM 1955 C CG B GLU B 2 70 ? -20.513 3.968 20.684 0.45 28.91 ? 1301 GLU B CG 1 ATOM 1956 C CD A GLU B 2 70 ? -19.384 4.676 20.621 0.55 36.81 ? 1301 GLU B CD 1 ATOM 1957 C CD B GLU B 2 70 ? -20.719 4.646 19.349 0.45 27.75 ? 1301 GLU B CD 1 ATOM 1958 O OE1 A GLU B 2 70 ? -18.704 4.740 19.575 0.55 43.92 ? 1301 GLU B OE1 1 ATOM 1959 O OE1 B GLU B 2 70 ? -21.805 5.222 19.131 0.45 30.91 ? 1301 GLU B OE1 1 ATOM 1960 O OE2 A GLU B 2 70 ? -19.002 5.155 21.711 0.55 42.07 ? 1301 GLU B OE2 1 ATOM 1961 O OE2 B GLU B 2 70 ? -19.791 4.597 18.516 0.45 36.18 ? 1301 GLU B OE2 1 ATOM 1962 N N . LYS B 2 71 ? -23.565 3.923 24.237 1.00 24.36 ? 1302 LYS B N 1 ATOM 1963 C CA . LYS B 2 71 ? -24.408 4.510 25.286 1.00 24.14 ? 1302 LYS B CA 1 ATOM 1964 C C . LYS B 2 71 ? -23.988 4.014 26.679 1.00 25.14 ? 1302 LYS B C 1 ATOM 1965 O O . LYS B 2 71 ? -24.324 4.643 27.694 1.00 28.34 ? 1302 LYS B O 1 ATOM 1966 C CB . LYS B 2 71 ? -25.898 4.197 25.034 1.00 24.25 ? 1302 LYS B CB 1 ATOM 1967 C CG . LYS B 2 71 ? -26.508 4.951 23.831 1.00 26.14 ? 1302 LYS B CG 1 ATOM 1968 C CD . LYS B 2 71 ? -27.952 4.478 23.554 1.00 27.65 ? 1302 LYS B CD 1 ATOM 1969 C CE . LYS B 2 71 ? -28.549 5.144 22.317 1.00 29.86 ? 1302 LYS B CE 1 ATOM 1970 N NZ . LYS B 2 71 ? -29.941 4.643 22.102 1.00 30.83 ? 1302 LYS B NZ 1 ATOM 1971 N N . TYR B 2 72 ? -23.252 2.901 26.718 1.00 25.28 ? 1303 TYR B N 1 ATOM 1972 C CA . TYR B 2 72 ? -22.768 2.331 27.980 1.00 27.44 ? 1303 TYR B CA 1 ATOM 1973 C C . TYR B 2 72 ? -21.347 2.796 28.334 1.00 28.53 ? 1303 TYR B C 1 ATOM 1974 O O . TYR B 2 72 ? -20.781 2.318 29.312 1.00 29.63 ? 1303 TYR B O 1 ATOM 1975 C CB . TYR B 2 72 ? -22.784 0.779 27.944 1.00 28.10 ? 1303 TYR B CB 1 ATOM 1976 C CG . TYR B 2 72 ? -24.148 0.133 28.214 1.00 27.21 ? 1303 TYR B CG 1 ATOM 1977 C CD1 . TYR B 2 72 ? -24.613 -0.056 29.520 1.00 27.07 ? 1303 TYR B CD1 1 ATOM 1978 C CD2 . TYR B 2 72 ? -24.946 -0.311 27.165 1.00 23.87 ? 1303 TYR B CD2 1 ATOM 1979 C CE1 . TYR B 2 72 ? -25.848 -0.654 29.766 1.00 35.73 ? 1303 TYR B CE1 1 ATOM 1980 C CE2 . TYR B 2 72 ? -26.190 -0.912 27.401 1.00 27.33 ? 1303 TYR B CE2 1 ATOM 1981 C CZ . TYR B 2 72 ? -26.633 -1.080 28.697 1.00 29.82 ? 1303 TYR B CZ 1 ATOM 1982 O OH . TYR B 2 72 ? -27.866 -1.673 28.933 1.00 29.33 ? 1303 TYR B OH 1 ATOM 1983 N N . GLU B 2 73 ? -20.766 3.702 27.546 1.00 29.72 ? 1304 GLU B N 1 ATOM 1984 C CA . GLU B 2 73 ? -19.353 4.066 27.737 1.00 34.46 ? 1304 GLU B CA 1 ATOM 1985 C C . GLU B 2 73 ? -19.012 4.530 29.160 1.00 38.27 ? 1304 GLU B C 1 ATOM 1986 O O . GLU B 2 73 ? -17.944 4.196 29.683 1.00 35.24 ? 1304 GLU B O 1 ATOM 1987 C CB . GLU B 2 73 ? -18.919 5.161 26.759 1.00 32.07 ? 1304 GLU B CB 1 ATOM 1988 C CG . GLU B 2 73 ? -17.428 5.484 26.891 1.00 36.95 ? 1304 GLU B CG 1 ATOM 1989 C CD . GLU B 2 73 ? -16.919 6.421 25.818 1.00 53.53 ? 1304 GLU B CD 1 ATOM 1990 O OE1 . GLU B 2 73 ? -17.738 7.140 25.210 1.00 60.82 ? 1304 GLU B OE1 1 ATOM 1991 O OE2 . GLU B 2 73 ? -15.693 6.438 25.580 1.00 53.50 ? 1304 GLU B OE2 1 ATOM 1992 N N . GLN B 2 74 ? -19.894 5.313 29.779 1.00 31.49 ? 1305 GLN B N 1 ATOM 1993 C CA . GLN B 2 74 ? -19.640 5.773 31.142 1.00 30.23 ? 1305 GLN B CA 1 ATOM 1994 C C . GLN B 2 74 ? -20.301 4.888 32.192 1.00 32.56 ? 1305 GLN B C 1 ATOM 1995 O O . GLN B 2 74 ? -20.339 5.236 33.379 1.00 34.18 ? 1305 GLN B O 1 ATOM 1996 C CB . GLN B 2 74 ? -20.111 7.223 31.318 1.00 37.00 ? 1305 GLN B CB 1 ATOM 1997 C CG . GLN B 2 74 ? -19.422 8.199 30.377 1.00 47.02 ? 1305 GLN B CG 1 ATOM 1998 C CD . GLN B 2 74 ? -17.914 8.116 30.468 1.00 67.61 ? 1305 GLN B CD 1 ATOM 1999 O OE1 . GLN B 2 74 ? -17.359 7.799 31.521 1.00 73.29 ? 1305 GLN B OE1 1 ATOM 2000 N NE2 . GLN B 2 74 ? -17.240 8.393 29.358 1.00 74.98 ? 1305 GLN B NE2 1 ATOM 2001 N N . LEU B 2 75 ? -20.778 3.728 31.762 1.00 31.81 ? 1306 LEU B N 1 ATOM 2002 C CA . LEU B 2 75 ? -21.476 2.789 32.635 1.00 31.80 ? 1306 LEU B CA 1 ATOM 2003 C C . LEU B 2 75 ? -20.930 1.388 32.453 1.00 33.61 ? 1306 LEU B C 1 ATOM 2004 O O . LEU B 2 75 ? -21.702 0.454 32.260 1.00 32.06 ? 1306 LEU B O 1 ATOM 2005 C CB . LEU B 2 75 ? -22.974 2.778 32.333 1.00 36.30 ? 1306 LEU B CB 1 ATOM 2006 C CG . LEU B 2 75 ? -23.680 4.128 32.409 1.00 41.61 ? 1306 LEU B CG 1 ATOM 2007 C CD1 . LEU B 2 75 ? -24.952 4.082 31.574 1.00 45.21 ? 1306 LEU B CD1 1 ATOM 2008 C CD2 . LEU B 2 75 ? -23.993 4.471 33.850 1.00 43.05 ? 1306 LEU B CD2 1 ATOM 2009 N N . PRO B 2 76 ? -19.595 1.234 32.508 1.00 32.35 ? 1307 PRO B N 1 ATOM 2010 C CA . PRO B 2 76 ? -18.989 -0.072 32.212 1.00 37.18 ? 1307 PRO B CA 1 ATOM 2011 C C . PRO B 2 76 ? -19.481 -1.213 33.114 1.00 32.32 ? 1307 PRO B C 1 ATOM 2012 O O . PRO B 2 76 ? -19.597 -2.331 32.607 1.00 39.42 ? 1307 PRO B O 1 ATOM 2013 C CB . PRO B 2 76 ? -17.487 0.181 32.402 1.00 37.64 ? 1307 PRO B CB 1 ATOM 2014 C CG . PRO B 2 76 ? -17.391 1.371 33.283 1.00 36.03 ? 1307 PRO B CG 1 ATOM 2015 C CD . PRO B 2 76 ? -18.614 2.213 33.015 1.00 33.44 ? 1307 PRO B CD 1 ATOM 2016 N N . GLU B 2 77 ? -19.789 -0.947 34.390 1.00 30.76 ? 1308 GLU B N 1 ATOM 2017 C CA . GLU B 2 77 ? -20.325 -1.981 35.285 1.00 37.44 ? 1308 GLU B CA 1 ATOM 2018 C C . GLU B 2 77 ? -21.707 -2.495 34.881 1.00 39.89 ? 1308 GLU B C 1 ATOM 2019 O O . GLU B 2 77 ? -22.164 -3.523 35.398 1.00 41.46 ? 1308 GLU B O 1 ATOM 2020 C CB . GLU B 2 77 ? -20.419 -1.478 36.733 1.00 50.63 ? 1308 GLU B CB 1 ATOM 2021 C CG . GLU B 2 77 ? -19.658 -0.211 37.047 1.00 61.26 ? 1308 GLU B CG 1 ATOM 2022 C CD . GLU B 2 77 ? -20.411 1.025 36.620 1.00 63.87 ? 1308 GLU B CD 1 ATOM 2023 O OE1 . GLU B 2 77 ? -21.597 1.169 36.991 1.00 74.04 ? 1308 GLU B OE1 1 ATOM 2024 O OE2 . GLU B 2 77 ? -19.813 1.849 35.903 1.00 49.18 ? 1308 GLU B OE2 1 ATOM 2025 N N . ASP B 2 78 ? -22.384 -1.775 33.986 1.00 37.43 ? 1309 ASP B N 1 ATOM 2026 C CA . ASP B 2 78 ? -23.721 -2.173 33.556 1.00 31.20 ? 1309 ASP B CA 1 ATOM 2027 C C . ASP B 2 78 ? -23.761 -2.816 32.159 1.00 32.74 ? 1309 ASP B C 1 ATOM 2028 O O . ASP B 2 78 ? -24.834 -3.241 31.727 1.00 32.27 ? 1309 ASP B O 1 ATOM 2029 C CB . ASP B 2 78 ? -24.681 -0.959 33.565 1.00 30.51 ? 1309 ASP B CB 1 ATOM 2030 C CG . ASP B 2 78 ? -24.925 -0.399 34.970 1.00 44.86 ? 1309 ASP B CG 1 ATOM 2031 O OD1 . ASP B 2 78 ? -25.073 -1.193 35.920 1.00 43.23 ? 1309 ASP B OD1 1 ATOM 2032 O OD2 . ASP B 2 78 ? -24.983 0.841 35.123 1.00 43.00 ? 1309 ASP B OD2 1 ATOM 2033 N N . VAL B 2 79 ? -22.626 -2.888 31.460 1.00 33.52 ? 1310 VAL B N 1 ATOM 2034 C CA . VAL B 2 79 ? -22.648 -3.227 30.030 1.00 27.61 ? 1310 VAL B CA 1 ATOM 2035 C C . VAL B 2 79 ? -23.072 -4.680 29.767 1.00 26.66 ? 1310 VAL B C 1 ATOM 2036 O O . VAL B 2 79 ? -23.415 -5.032 28.634 1.00 28.05 ? 1310 VAL B O 1 ATOM 2037 C CB . VAL B 2 79 ? -21.264 -2.949 29.350 1.00 26.68 ? 1310 VAL B CB 1 ATOM 2038 C CG1 . VAL B 2 79 ? -20.243 -4.000 29.750 1.00 27.85 ? 1310 VAL B CG1 1 ATOM 2039 C CG2 . VAL B 2 79 ? -21.390 -2.901 27.830 1.00 31.11 ? 1310 VAL B CG2 1 ATOM 2040 N N . GLY B 2 80 ? -23.079 -5.517 30.801 1.00 29.58 ? 1311 GLY B N 1 ATOM 2041 C CA . GLY B 2 80 ? -23.591 -6.871 30.642 1.00 28.31 ? 1311 GLY B CA 1 ATOM 2042 C C . GLY B 2 80 ? -25.036 -6.866 30.153 1.00 33.46 ? 1311 GLY B C 1 ATOM 2043 O O . GLY B 2 80 ? -25.466 -7.754 29.417 1.00 32.31 ? 1311 GLY B O 1 ATOM 2044 N N . HIS B 2 81 ? -25.783 -5.840 30.546 1.00 30.24 ? 1312 HIS B N 1 ATOM 2045 C CA . HIS B 2 81 ? -27.187 -5.702 30.140 1.00 32.16 ? 1312 HIS B CA 1 ATOM 2046 C C . HIS B 2 81 ? -27.383 -5.524 28.625 1.00 30.33 ? 1312 HIS B C 1 ATOM 2047 O O . HIS B 2 81 ? -28.431 -5.899 28.096 1.00 34.85 ? 1312 HIS B O 1 ATOM 2048 C CB . HIS B 2 81 ? -27.826 -4.516 30.871 1.00 34.18 ? 1312 HIS B CB 1 ATOM 2049 C CG . HIS B 2 81 ? -29.325 -4.572 30.929 1.00 35.16 ? 1312 HIS B CG 1 ATOM 2050 N ND1 . HIS B 2 81 ? -30.012 -4.887 32.079 1.00 38.03 ? 1312 HIS B ND1 1 ATOM 2051 C CD2 . HIS B 2 81 ? -30.266 -4.346 29.980 1.00 30.72 ? 1312 HIS B CD2 1 ATOM 2052 C CE1 . HIS B 2 81 ? -31.313 -4.855 31.842 1.00 44.94 ? 1312 HIS B CE1 1 ATOM 2053 N NE2 . HIS B 2 81 ? -31.495 -4.529 30.575 1.00 38.98 ? 1312 HIS B NE2 1 ATOM 2054 N N . CYS B 2 82 ? -26.401 -4.921 27.946 1.00 28.33 ? 1313 CYS B N 1 ATOM 2055 C CA . CYS B 2 82 ? -26.481 -4.706 26.506 1.00 30.55 ? 1313 CYS B CA 1 ATOM 2056 C C . CYS B 2 82 ? -26.621 -6.066 25.814 1.00 29.72 ? 1313 CYS B C 1 ATOM 2057 O O . CYS B 2 82 ? -27.392 -6.225 24.864 1.00 31.43 ? 1313 CYS B O 1 ATOM 2058 C CB . CYS B 2 82 ? -25.243 -3.946 25.993 1.00 29.73 ? 1313 CYS B CB 1 ATOM 2059 S SG . CYS B 2 82 ? -25.512 -3.010 24.444 1.00 29.50 ? 1313 CYS B SG 1 ATOM 2060 N N . PHE B 2 83 ? -25.889 -7.051 26.327 1.00 27.82 ? 1314 PHE B N 1 ATOM 2061 C CA . PHE B 2 83 ? -25.892 -8.387 25.736 1.00 28.52 ? 1314 PHE B CA 1 ATOM 2062 C C . PHE B 2 83 ? -27.168 -9.156 26.065 1.00 34.05 ? 1314 PHE B C 1 ATOM 2063 O O . PHE B 2 83 ? -27.637 -9.966 25.268 1.00 31.67 ? 1314 PHE B O 1 ATOM 2064 C CB . PHE B 2 83 ? -24.643 -9.142 26.195 1.00 26.95 ? 1314 PHE B CB 1 ATOM 2065 C CG . PHE B 2 83 ? -23.359 -8.484 25.761 1.00 32.37 ? 1314 PHE B CG 1 ATOM 2066 C CD1 . PHE B 2 83 ? -22.819 -8.755 24.508 1.00 29.62 ? 1314 PHE B CD1 1 ATOM 2067 C CD2 . PHE B 2 83 ? -22.698 -7.585 26.594 1.00 35.82 ? 1314 PHE B CD2 1 ATOM 2068 C CE1 . PHE B 2 83 ? -21.633 -8.148 24.094 1.00 27.57 ? 1314 PHE B CE1 1 ATOM 2069 C CE2 . PHE B 2 83 ? -21.513 -6.971 26.188 1.00 32.87 ? 1314 PHE B CE2 1 ATOM 2070 C CZ . PHE B 2 83 ? -20.983 -7.255 24.925 1.00 31.84 ? 1314 PHE B CZ 1 ATOM 2071 N N . VAL B 2 84 ? -27.750 -8.887 27.227 1.00 31.97 ? 1315 VAL B N 1 ATOM 2072 C CA . VAL B 2 84 ? -29.021 -9.498 27.579 1.00 34.69 ? 1315 VAL B CA 1 ATOM 2073 C C . VAL B 2 84 ? -30.118 -8.948 26.665 1.00 34.10 ? 1315 VAL B C 1 ATOM 2074 O O . VAL B 2 84 ? -30.908 -9.711 26.116 1.00 34.41 ? 1315 VAL B O 1 ATOM 2075 C CB . VAL B 2 84 ? -29.396 -9.249 29.074 1.00 32.36 ? 1315 VAL B CB 1 ATOM 2076 C CG1 . VAL B 2 84 ? -30.844 -9.651 29.340 1.00 40.13 ? 1315 VAL B CG1 1 ATOM 2077 C CG2 . VAL B 2 84 ? -28.440 -9.975 30.012 1.00 32.28 ? 1315 VAL B CG2 1 ATOM 2078 N N . THR B 2 85 ? -30.142 -7.628 26.484 1.00 31.11 ? 1316 THR B N 1 ATOM 2079 C CA . THR B 2 85 ? -31.160 -6.976 25.649 1.00 34.06 ? 1316 THR B CA 1 ATOM 2080 C C . THR B 2 85 ? -31.202 -7.531 24.229 1.00 34.33 ? 1316 THR B C 1 ATOM 2081 O O . THR B 2 85 ? -32.282 -7.813 23.694 1.00 36.30 ? 1316 THR B O 1 ATOM 2082 C CB . THR B 2 85 ? -30.931 -5.449 25.556 1.00 34.71 ? 1316 THR B CB 1 ATOM 2083 O OG1 . THR B 2 85 ? -31.185 -4.857 26.834 1.00 32.82 ? 1316 THR B OG1 1 ATOM 2084 C CG2 . THR B 2 85 ? -31.877 -4.821 24.530 1.00 35.03 ? 1316 THR B CG2 1 ATOM 2085 N N . TRP B 2 86 ? -30.032 -7.679 23.616 1.00 35.26 ? 1317 TRP B N 1 ATOM 2086 C CA . TRP B 2 86 ? -29.964 -8.037 22.202 1.00 35.14 ? 1317 TRP B CA 1 ATOM 2087 C C . TRP B 2 86 ? -29.594 -9.511 21.994 1.00 33.73 ? 1317 TRP B C 1 ATOM 2088 O O . TRP B 2 86 ? -29.112 -9.899 20.934 1.00 33.99 ? 1317 TRP B O 1 ATOM 2089 C CB . TRP B 2 86 ? -28.976 -7.098 21.479 1.00 30.65 ? 1317 TRP B CB 1 ATOM 2090 C CG . TRP B 2 86 ? -29.439 -5.657 21.567 1.00 31.35 ? 1317 TRP B CG 1 ATOM 2091 C CD1 . TRP B 2 86 ? -28.965 -4.685 22.418 1.00 30.75 ? 1317 TRP B CD1 1 ATOM 2092 C CD2 . TRP B 2 86 ? -30.501 -5.050 20.819 1.00 28.91 ? 1317 TRP B CD2 1 ATOM 2093 N NE1 . TRP B 2 86 ? -29.655 -3.508 22.220 1.00 29.97 ? 1317 TRP B NE1 1 ATOM 2094 C CE2 . TRP B 2 86 ? -30.610 -3.709 21.254 1.00 33.18 ? 1317 TRP B CE2 1 ATOM 2095 C CE3 . TRP B 2 86 ? -31.364 -5.505 19.812 1.00 34.00 ? 1317 TRP B CE3 1 ATOM 2096 C CZ2 . TRP B 2 86 ? -31.548 -2.821 20.717 1.00 33.21 ? 1317 TRP B CZ2 1 ATOM 2097 C CZ3 . TRP B 2 86 ? -32.311 -4.624 19.290 1.00 37.81 ? 1317 TRP B CZ3 1 ATOM 2098 C CH2 . TRP B 2 86 ? -32.390 -3.297 19.739 1.00 34.48 ? 1317 TRP B CH2 1 ATOM 2099 N N . ALA B 2 87 ? -29.866 -10.333 23.005 1.00 35.27 ? 1318 ALA B N 1 ATOM 2100 C CA . ALA B 2 87 ? -29.490 -11.748 22.988 1.00 34.22 ? 1318 ALA B CA 1 ATOM 2101 C C . ALA B 2 87 ? -29.992 -12.500 21.750 1.00 38.85 ? 1318 ALA B C 1 ATOM 2102 O O . ALA B 2 87 ? -29.261 -13.310 21.175 1.00 33.13 ? 1318 ALA B O 1 ATOM 2103 C CB . ALA B 2 87 ? -30.004 -12.430 24.245 1.00 34.03 ? 1318 ALA B CB 1 ATOM 2104 N N . ASP B 2 88 ? -31.235 -12.238 21.353 1.00 38.69 ? 1319 ASP B N 1 ATOM 2105 C CA . ASP B 2 88 ? -31.829 -12.901 20.190 1.00 42.82 ? 1319 ASP B CA 1 ATOM 2106 C C . ASP B 2 88 ? -31.027 -12.684 18.906 1.00 35.58 ? 1319 ASP B C 1 ATOM 2107 O O . ASP B 2 88 ? -30.889 -13.600 18.089 1.00 37.32 ? 1319 ASP B O 1 ATOM 2108 C CB . ASP B 2 88 ? -33.263 -12.419 19.961 1.00 43.64 ? 1319 ASP B CB 1 ATOM 2109 C CG . ASP B 2 88 ? -34.243 -13.011 20.948 1.00 67.16 ? 1319 ASP B CG 1 ATOM 2110 O OD1 . ASP B 2 88 ? -33.879 -13.987 21.643 1.00 67.79 ? 1319 ASP B OD1 1 ATOM 2111 O OD2 . ASP B 2 88 ? -35.383 -12.505 21.021 1.00 77.23 ? 1319 ASP B OD2 1 ATOM 2112 N N . LYS B 2 89 ? -30.519 -11.469 18.726 1.00 30.04 ? 1320 LYS B N 1 ATOM 2113 C CA . LYS B 2 89 ? -29.772 -11.129 17.515 1.00 32.43 ? 1320 LYS B CA 1 ATOM 2114 C C . LYS B 2 89 ? -28.521 -12.015 17.345 1.00 34.53 ? 1320 LYS B C 1 ATOM 2115 O O . LYS B 2 89 ? -28.141 -12.367 16.222 1.00 30.68 ? 1320 LYS B O 1 ATOM 2116 C CB . LYS B 2 89 ? -29.378 -9.648 17.535 1.00 31.48 ? 1320 LYS B CB 1 ATOM 2117 C CG . LYS B 2 89 ? -30.534 -8.673 17.387 1.00 32.45 ? 1320 LYS B CG 1 ATOM 2118 C CD . LYS B 2 89 ? -30.935 -8.513 15.917 1.00 33.24 ? 1320 LYS B CD 1 ATOM 2119 C CE . LYS B 2 89 ? -32.079 -7.522 15.745 1.00 37.83 ? 1320 LYS B CE 1 ATOM 2120 N NZ . LYS B 2 89 ? -32.507 -7.425 14.320 1.00 35.75 ? 1320 LYS B NZ 1 ATOM 2121 N N . PHE B 2 90 ? -27.897 -12.394 18.459 1.00 33.96 ? 1321 PHE B N 1 ATOM 2122 C CA . PHE B 2 90 ? -26.634 -13.132 18.406 1.00 31.26 ? 1321 PHE B CA 1 ATOM 2123 C C . PHE B 2 90 ? -26.833 -14.563 17.914 1.00 36.40 ? 1321 PHE B C 1 ATOM 2124 O O . PHE B 2 90 ? -25.865 -15.257 17.604 1.00 35.86 ? 1321 PHE B O 1 ATOM 2125 C CB . PHE B 2 90 ? -25.942 -13.129 19.774 1.00 31.38 ? 1321 PHE B CB 1 ATOM 2126 C CG . PHE B 2 90 ? -25.216 -11.852 20.070 1.00 31.08 ? 1321 PHE B CG 1 ATOM 2127 C CD1 . PHE B 2 90 ? -23.980 -11.601 19.496 1.00 31.12 ? 1321 PHE B CD1 1 ATOM 2128 C CD2 . PHE B 2 90 ? -25.777 -10.883 20.895 1.00 36.57 ? 1321 PHE B CD2 1 ATOM 2129 C CE1 . PHE B 2 90 ? -23.303 -10.421 19.754 1.00 28.20 ? 1321 PHE B CE1 1 ATOM 2130 C CE2 . PHE B 2 90 ? -25.090 -9.687 21.157 1.00 25.54 ? 1321 PHE B CE2 1 ATOM 2131 C CZ . PHE B 2 90 ? -23.864 -9.466 20.589 1.00 31.04 ? 1321 PHE B CZ 1 ATOM 2132 N N . GLN B 2 91 ? -28.088 -14.992 17.819 1.00 30.99 ? 1322 GLN B N 1 ATOM 2133 C CA . GLN B 2 91 ? -28.387 -16.284 17.219 1.00 37.97 ? 1322 GLN B CA 1 ATOM 2134 C C . GLN B 2 91 ? -27.897 -16.379 15.767 1.00 35.03 ? 1322 GLN B C 1 ATOM 2135 O O . GLN B 2 91 ? -27.706 -17.485 15.256 1.00 37.75 ? 1322 GLN B O 1 ATOM 2136 C CB . GLN B 2 91 ? -29.893 -16.571 17.285 1.00 48.39 ? 1322 GLN B CB 1 ATOM 2137 C CG . GLN B 2 91 ? -30.408 -16.874 18.689 1.00 50.46 ? 1322 GLN B CG 1 ATOM 2138 C CD . GLN B 2 91 ? -29.726 -18.079 19.330 1.00 55.80 ? 1322 GLN B CD 1 ATOM 2139 O OE1 . GLN B 2 91 ? -29.835 -19.212 18.842 1.00 50.64 ? 1322 GLN B OE1 1 ATOM 2140 N NE2 . GLN B 2 91 ? -29.024 -17.839 20.434 1.00 46.82 ? 1322 GLN B NE2 1 ATOM 2141 N N . MET B 2 92 ? -27.694 -15.242 15.097 1.00 33.91 ? 1323 MET B N 1 ATOM 2142 C CA . MET B 2 92 ? -27.205 -15.280 13.716 1.00 35.78 ? 1323 MET B CA 1 ATOM 2143 C C . MET B 2 92 ? -25.834 -15.945 13.639 1.00 34.23 ? 1323 MET B C 1 ATOM 2144 O O . MET B 2 92 ? -25.472 -16.495 12.597 1.00 34.67 ? 1323 MET B O 1 ATOM 2145 C CB . MET B 2 92 ? -27.103 -13.881 13.089 1.00 39.24 ? 1323 MET B CB 1 ATOM 2146 C CG . MET B 2 92 ? -28.296 -12.958 13.331 1.00 56.11 ? 1323 MET B CG 1 ATOM 2147 S SD . MET B 2 92 ? -28.298 -11.527 12.199 1.00 48.89 ? 1323 MET B SD 1 ATOM 2148 C CE . MET B 2 92 ? -28.365 -10.176 13.377 1.00 39.08 ? 1323 MET B CE 1 ATOM 2149 N N . TYR B 2 93 ? -25.065 -15.872 14.726 1.00 31.35 ? 1324 TYR B N 1 ATOM 2150 C CA . TYR B 2 93 ? -23.717 -16.419 14.705 1.00 31.13 ? 1324 TYR B CA 1 ATOM 2151 C C . TYR B 2 93 ? -23.746 -17.945 14.612 1.00 36.01 ? 1324 TYR B C 1 ATOM 2152 O O . TYR B 2 93 ? -22.813 -18.550 14.092 1.00 37.50 ? 1324 TYR B O 1 ATOM 2153 C CB . TYR B 2 93 ? -22.923 -15.960 15.939 1.00 31.21 ? 1324 TYR B CB 1 ATOM 2154 C CG . TYR B 2 93 ? -22.389 -14.542 15.811 1.00 32.88 ? 1324 TYR B CG 1 ATOM 2155 C CD1 . TYR B 2 93 ? -23.173 -13.443 16.158 1.00 30.39 ? 1324 TYR B CD1 1 ATOM 2156 C CD2 . TYR B 2 93 ? -21.101 -14.305 15.326 1.00 30.80 ? 1324 TYR B CD2 1 ATOM 2157 C CE1 . TYR B 2 93 ? -22.682 -12.137 16.031 1.00 29.78 ? 1324 TYR B CE1 1 ATOM 2158 C CE2 . TYR B 2 93 ? -20.604 -13.016 15.191 1.00 29.75 ? 1324 TYR B CE2 1 ATOM 2159 C CZ . TYR B 2 93 ? -21.397 -11.936 15.547 1.00 31.53 ? 1324 TYR B CZ 1 ATOM 2160 O OH . TYR B 2 93 ? -20.899 -10.650 15.414 1.00 27.94 ? 1324 TYR B OH 1 ATOM 2161 N N . VAL B 2 94 ? -24.815 -18.563 15.108 1.00 37.83 ? 1325 VAL B N 1 ATOM 2162 C CA . VAL B 2 94 ? -24.980 -20.015 15.009 1.00 34.92 ? 1325 VAL B CA 1 ATOM 2163 C C . VAL B 2 94 ? -25.088 -20.418 13.542 1.00 39.00 ? 1325 VAL B C 1 ATOM 2164 O O . VAL B 2 94 ? -24.447 -21.377 13.095 1.00 42.71 ? 1325 VAL B O 1 ATOM 2165 C CB . VAL B 2 94 ? -26.231 -20.506 15.785 1.00 38.60 ? 1325 VAL B CB 1 ATOM 2166 C CG1 . VAL B 2 94 ? -26.500 -21.992 15.515 1.00 45.30 ? 1325 VAL B CG1 1 ATOM 2167 C CG2 . VAL B 2 94 ? -26.082 -20.246 17.280 1.00 36.33 ? 1325 VAL B CG2 1 ATOM 2168 N N . THR B 2 95 ? -25.904 -19.676 12.796 1.00 40.37 ? 1326 THR B N 1 ATOM 2169 C CA . THR B 2 95 ? -26.071 -19.891 11.361 1.00 39.99 ? 1326 THR B CA 1 ATOM 2170 C C . THR B 2 95 ? -24.753 -19.669 10.623 1.00 43.56 ? 1326 THR B C 1 ATOM 2171 O O . THR B 2 95 ? -24.413 -20.419 9.701 1.00 45.87 ? 1326 THR B O 1 ATOM 2172 C CB . THR B 2 95 ? -27.143 -18.945 10.781 1.00 40.04 ? 1326 THR B CB 1 ATOM 2173 O OG1 . THR B 2 95 ? -28.350 -19.081 11.538 1.00 44.44 ? 1326 THR B OG1 1 ATOM 2174 C CG2 . THR B 2 95 ? -27.422 -19.251 9.311 1.00 40.12 ? 1326 THR B CG2 1 ATOM 2175 N N . TYR B 2 96 ? -24.013 -18.639 11.034 1.00 34.55 ? 1327 TYR B N 1 ATOM 2176 C CA . TYR B 2 96 ? -22.745 -18.314 10.379 1.00 41.74 ? 1327 TYR B CA 1 ATOM 2177 C C . TYR B 2 96 ? -21.693 -19.411 10.567 1.00 38.94 ? 1327 TYR B C 1 ATOM 2178 O O . TYR B 2 96 ? -21.033 -19.812 9.607 1.00 40.46 ? 1327 TYR B O 1 ATOM 2179 C CB . TYR B 2 96 ? -22.167 -16.978 10.882 1.00 30.39 ? 1327 TYR B CB 1 ATOM 2180 C CG . TYR B 2 96 ? -20.955 -16.563 10.059 1.00 35.51 ? 1327 TYR B CG 1 ATOM 2181 C CD1 . TYR B 2 96 ? -21.111 -15.921 8.839 1.00 36.44 ? 1327 TYR B CD1 1 ATOM 2182 C CD2 . TYR B 2 96 ? -19.661 -16.869 10.475 1.00 31.31 ? 1327 TYR B CD2 1 ATOM 2183 C CE1 . TYR B 2 96 ? -20.019 -15.566 8.059 1.00 37.98 ? 1327 TYR B CE1 1 ATOM 2184 C CE2 . TYR B 2 96 ? -18.549 -16.517 9.699 1.00 35.75 ? 1327 TYR B CE2 1 ATOM 2185 C CZ . TYR B 2 96 ? -18.739 -15.871 8.484 1.00 38.85 ? 1327 TYR B CZ 1 ATOM 2186 O OH . TYR B 2 96 ? -17.664 -15.506 7.683 1.00 34.45 ? 1327 TYR B OH 1 ATOM 2187 N N . CYS B 2 97 ? -21.522 -19.877 11.804 1.00 38.68 ? 1328 CYS B N 1 ATOM 2188 C CA . CYS B 2 97 ? -20.500 -20.875 12.093 1.00 34.28 ? 1328 CYS B CA 1 ATOM 2189 C C . CYS B 2 97 ? -20.817 -22.195 11.407 1.00 40.85 ? 1328 CYS B C 1 ATOM 2190 O O . CYS B 2 97 ? -19.921 -22.844 10.861 1.00 43.36 ? 1328 CYS B O 1 ATOM 2191 C CB . CYS B 2 97 ? -20.347 -21.081 13.604 1.00 34.38 ? 1328 CYS B CB 1 ATOM 2192 S SG . CYS B 2 97 ? -19.627 -19.652 14.469 1.00 37.47 ? 1328 CYS B SG 1 ATOM 2193 N N . LYS B 2 98 ? -22.092 -22.578 11.406 1.00 42.13 ? 1329 LYS B N 1 ATOM 2194 C CA . LYS B 2 98 ? -22.499 -23.832 10.777 1.00 47.29 ? 1329 LYS B CA 1 ATOM 2195 C C . LYS B 2 98 ? -22.071 -23.888 9.318 1.00 46.06 ? 1329 LYS B C 1 ATOM 2196 O O . LYS B 2 98 ? -21.647 -24.936 8.826 1.00 46.22 ? 1329 LYS B O 1 ATOM 2197 C CB . LYS B 2 98 ? -24.014 -24.026 10.880 1.00 59.54 ? 1329 LYS B CB 1 ATOM 2198 C CG . LYS B 2 98 ? -24.486 -24.573 12.221 1.00 67.99 ? 1329 LYS B CG 1 ATOM 2199 C CD . LYS B 2 98 ? -26.007 -24.578 12.321 1.00 74.07 ? 1329 LYS B CD 1 ATOM 2200 C CE . LYS B 2 98 ? -26.644 -25.242 11.114 1.00 78.61 ? 1329 LYS B CE 1 ATOM 2201 N NZ . LYS B 2 98 ? -26.126 -26.618 10.895 1.00 88.01 ? 1329 LYS B NZ 1 ATOM 2202 N N . ASN B 2 99 ? -22.159 -22.748 8.639 1.00 46.20 ? 1330 ASN B N 1 ATOM 2203 C CA . ASN B 2 99 ? -21.912 -22.680 7.199 1.00 45.04 ? 1330 ASN B CA 1 ATOM 2204 C C . ASN B 2 99 ? -20.429 -22.511 6.829 1.00 43.98 ? 1330 ASN B C 1 ATOM 2205 O O . ASN B 2 99 ? -20.041 -22.729 5.684 1.00 47.52 ? 1330 ASN B O 1 ATOM 2206 C CB . ASN B 2 99 ? -22.750 -21.533 6.604 1.00 45.66 ? 1330 ASN B CB 1 ATOM 2207 C CG . ASN B 2 99 ? -22.560 -21.375 5.111 1.00 48.96 ? 1330 ASN B CG 1 ATOM 2208 O OD1 . ASN B 2 99 ? -23.119 -22.140 4.309 1.00 51.19 ? 1330 ASN B OD1 1 ATOM 2209 N ND2 . ASN B 2 99 ? -21.780 -20.371 4.721 1.00 44.66 ? 1330 ASN B ND2 1 ATOM 2210 N N . LYS B 2 100 ? -19.602 -22.145 7.809 1.00 40.11 ? 1331 LYS B N 1 ATOM 2211 C CA . LYS B 2 100 ? -18.198 -21.792 7.563 1.00 38.09 ? 1331 LYS B CA 1 ATOM 2212 C C . LYS B 2 100 ? -17.357 -22.870 6.851 1.00 45.63 ? 1331 LYS B C 1 ATOM 2213 O O . LYS B 2 100 ? -16.616 -22.555 5.911 1.00 44.24 ? 1331 LYS B O 1 ATOM 2214 C CB . LYS B 2 100 ? -17.537 -21.397 8.895 1.00 40.35 ? 1331 LYS B CB 1 ATOM 2215 C CG . LYS B 2 100 ? -16.113 -20.878 8.766 1.00 40.39 ? 1331 LYS B CG 1 ATOM 2216 C CD . LYS B 2 100 ? -16.037 -19.614 7.920 1.00 34.59 ? 1331 LYS B CD 1 ATOM 2217 C CE . LYS B 2 100 ? -14.626 -19.026 7.915 1.00 36.70 ? 1331 LYS B CE 1 ATOM 2218 N NZ . LYS B 2 100 ? -13.670 -19.826 7.085 1.00 38.77 ? 1331 LYS B NZ 1 ATOM 2219 N N . PRO B 2 101 ? -17.463 -24.143 7.279 1.00 43.89 ? 1332 PRO B N 1 ATOM 2220 C CA . PRO B 2 101 ? -16.740 -25.184 6.539 1.00 49.85 ? 1332 PRO B CA 1 ATOM 2221 C C . PRO B 2 101 ? -17.134 -25.254 5.052 1.00 52.98 ? 1332 PRO B C 1 ATOM 2222 O O . PRO B 2 101 ? -16.238 -25.346 4.202 1.00 50.64 ? 1332 PRO B O 1 ATOM 2223 C CB . PRO B 2 101 ? -17.132 -26.471 7.268 1.00 52.03 ? 1332 PRO B CB 1 ATOM 2224 C CG . PRO B 2 101 ? -17.444 -26.030 8.659 1.00 45.73 ? 1332 PRO B CG 1 ATOM 2225 C CD . PRO B 2 101 ? -18.071 -24.663 8.517 1.00 46.04 ? 1332 PRO B CD 1 ATOM 2226 N N . ASP B 2 102 ? -18.430 -25.208 4.735 1.00 51.59 ? 1333 ASP B N 1 ATOM 2227 C CA . ASP B 2 102 ? -18.841 -25.243 3.331 1.00 54.06 ? 1333 ASP B CA 1 ATOM 2228 C C . ASP B 2 102 ? -18.246 -24.050 2.580 1.00 54.41 ? 1333 ASP B C 1 ATOM 2229 O O . ASP B 2 102 ? -17.825 -24.174 1.437 1.00 55.20 ? 1333 ASP B O 1 ATOM 2230 C CB . ASP B 2 102 ? -20.368 -25.250 3.192 1.00 58.62 ? 1333 ASP B CB 1 ATOM 2231 C CG . ASP B 2 102 ? -20.994 -26.574 3.606 1.00 66.47 ? 1333 ASP B CG 1 ATOM 2232 O OD1 . ASP B 2 102 ? -20.329 -27.624 3.482 1.00 61.58 ? 1333 ASP B OD1 1 ATOM 2233 O OD2 . ASP B 2 102 ? -22.163 -26.567 4.049 1.00 72.68 ? 1333 ASP B OD2 1 ATOM 2234 N N . SER B 2 103 ? -18.193 -22.892 3.232 1.00 54.36 ? 1334 SER B N 1 ATOM 2235 C CA . SER B 2 103 ? -17.608 -21.708 2.609 1.00 43.45 ? 1334 SER B CA 1 ATOM 2236 C C . SER B 2 103 ? -16.138 -21.917 2.265 1.00 52.71 ? 1334 SER B C 1 ATOM 2237 O O . SER B 2 103 ? -15.709 -21.654 1.143 1.00 52.88 ? 1334 SER B O 1 ATOM 2238 C CB . SER B 2 103 ? -17.745 -20.491 3.522 1.00 40.47 ? 1334 SER B CB 1 ATOM 2239 O OG . SER B 2 103 ? -17.023 -19.394 2.989 1.00 45.03 ? 1334 SER B OG 1 ATOM 2240 N N . ASN B 2 104 ? -15.366 -22.375 3.242 1.00 47.42 ? 1335 ASN B N 1 ATOM 2241 C CA . ASN B 2 104 ? -13.951 -22.630 3.026 1.00 48.13 ? 1335 ASN B CA 1 ATOM 2242 C C . ASN B 2 104 ? -13.733 -23.665 1.939 1.00 53.55 ? 1335 ASN B C 1 ATOM 2243 O O . ASN B 2 104 ? -12.882 -23.487 1.074 1.00 53.16 ? 1335 ASN B O 1 ATOM 2244 C CB . ASN B 2 104 ? -13.278 -23.094 4.316 1.00 52.07 ? 1335 ASN B CB 1 ATOM 2245 C CG . ASN B 2 104 ? -11.764 -23.084 4.219 1.00 49.62 ? 1335 ASN B CG 1 ATOM 2246 O OD1 . ASN B 2 104 ? -11.138 -22.023 4.238 1.00 50.52 ? 1335 ASN B OD1 1 ATOM 2247 N ND2 . ASN B 2 104 ? -11.166 -24.263 4.143 1.00 45.90 ? 1335 ASN B ND2 1 ATOM 2248 N N . GLN B 2 105 ? -14.513 -24.741 1.996 1.00 55.35 ? 1336 GLN B N 1 ATOM 2249 C CA . GLN B 2 105 ? -14.399 -25.848 1.040 1.00 58.46 ? 1336 GLN B CA 1 ATOM 2250 C C . GLN B 2 105 ? -14.712 -25.401 -0.386 1.00 61.52 ? 1336 GLN B C 1 ATOM 2251 O O . GLN B 2 105 ? -14.064 -25.835 -1.344 1.00 60.45 ? 1336 GLN B O 1 ATOM 2252 C CB . GLN B 2 105 ? -15.332 -26.992 1.454 1.00 57.74 ? 1336 GLN B CB 1 ATOM 2253 C CG . GLN B 2 105 ? -15.424 -28.155 0.465 1.00 69.41 ? 1336 GLN B CG 1 ATOM 2254 C CD . GLN B 2 105 ? -14.350 -29.202 0.684 1.00 79.86 ? 1336 GLN B CD 1 ATOM 2255 O OE1 . GLN B 2 105 ? -13.390 -28.982 1.427 1.00 84.11 ? 1336 GLN B OE1 1 ATOM 2256 N NE2 . GLN B 2 105 ? -14.509 -30.354 0.041 1.00 84.48 ? 1336 GLN B NE2 1 ATOM 2257 N N . LEU B 2 106 ? -15.711 -24.537 -0.530 1.00 55.92 ? 1337 LEU B N 1 ATOM 2258 C CA . LEU B 2 106 ? -16.104 -24.063 -1.860 1.00 53.94 ? 1337 LEU B CA 1 ATOM 2259 C C . LEU B 2 106 ? -15.034 -23.136 -2.433 1.00 56.34 ? 1337 LEU B C 1 ATOM 2260 O O . LEU B 2 106 ? -14.684 -23.236 -3.606 1.00 63.28 ? 1337 LEU B O 1 ATOM 2261 C CB . LEU B 2 106 ? -17.457 -23.348 -1.804 1.00 52.86 ? 1337 LEU B CB 1 ATOM 2262 C CG . LEU B 2 106 ? -17.964 -22.678 -3.081 1.00 58.88 ? 1337 LEU B CG 1 ATOM 2263 C CD1 . LEU B 2 106 ? -18.136 -23.699 -4.192 1.00 58.02 ? 1337 LEU B CD1 1 ATOM 2264 C CD2 . LEU B 2 106 ? -19.273 -21.959 -2.803 1.00 52.88 ? 1337 LEU B CD2 1 ATOM 2265 N N . ILE B 2 107 ? -14.510 -22.242 -1.599 1.00 57.35 ? 1338 ILE B N 1 ATOM 2266 C CA . ILE B 2 107 ? -13.451 -21.333 -2.032 1.00 59.44 ? 1338 ILE B CA 1 ATOM 2267 C C . ILE B 2 107 ? -12.207 -22.111 -2.460 1.00 63.97 ? 1338 ILE B C 1 ATOM 2268 O O . ILE B 2 107 ? -11.594 -21.797 -3.481 1.00 63.41 ? 1338 ILE B O 1 ATOM 2269 C CB . ILE B 2 107 ? -13.049 -20.334 -0.931 1.00 52.95 ? 1338 ILE B CB 1 ATOM 2270 C CG1 . ILE B 2 107 ? -14.148 -19.292 -0.688 1.00 50.71 ? 1338 ILE B CG1 1 ATOM 2271 C CG2 . ILE B 2 107 ? -11.745 -19.635 -1.302 1.00 54.89 ? 1338 ILE B CG2 1 ATOM 2272 C CD1 . ILE B 2 107 ? -13.834 -18.358 0.499 1.00 48.01 ? 1338 ILE B CD1 1 ATOM 2273 N N . LEU B 2 108 ? -11.841 -23.131 -1.690 1.00 58.93 ? 1339 LEU B N 1 ATOM 2274 C CA . LEU B 2 108 ? -10.625 -23.885 -1.973 1.00 58.85 ? 1339 LEU B CA 1 ATOM 2275 C C . LEU B 2 108 ? -10.751 -24.717 -3.253 1.00 67.50 ? 1339 LEU B C 1 ATOM 2276 O O . LEU B 2 108 ? -9.783 -24.871 -3.997 1.00 79.01 ? 1339 LEU B O 1 ATOM 2277 C CB . LEU B 2 108 ? -10.265 -24.791 -0.790 1.00 58.29 ? 1339 LEU B CB 1 ATOM 2278 C CG . LEU B 2 108 ? -8.994 -25.628 -0.965 1.00 75.08 ? 1339 LEU B CG 1 ATOM 2279 C CD1 . LEU B 2 108 ? -7.766 -24.733 -1.068 1.00 80.10 ? 1339 LEU B CD1 1 ATOM 2280 C CD2 . LEU B 2 108 ? -8.833 -26.633 0.168 1.00 74.51 ? 1339 LEU B CD2 1 ATOM 2281 N N . GLU B 2 109 ? -11.944 -25.239 -3.519 1.00 62.48 ? 1340 GLU B N 1 ATOM 2282 C CA . GLU B 2 109 ? -12.127 -26.165 -4.637 1.00 67.60 ? 1340 GLU B CA 1 ATOM 2283 C C . GLU B 2 109 ? -12.436 -25.499 -5.974 1.00 68.84 ? 1340 GLU B C 1 ATOM 2284 O O . GLU B 2 109 ? -12.059 -26.021 -7.024 1.00 71.19 ? 1340 GLU B O 1 ATOM 2285 C CB . GLU B 2 109 ? -13.237 -27.169 -4.312 1.00 71.25 ? 1340 GLU B CB 1 ATOM 2286 C CG . GLU B 2 109 ? -12.818 -28.255 -3.328 1.00 81.44 ? 1340 GLU B CG 1 ATOM 2287 C CD . GLU B 2 109 ? -13.885 -29.317 -3.141 1.00 87.83 ? 1340 GLU B CD 1 ATOM 2288 O OE1 . GLU B 2 109 ? -15.045 -29.071 -3.538 1.00 86.96 ? 1340 GLU B OE1 1 ATOM 2289 O OE2 . GLU B 2 109 ? -13.563 -30.399 -2.602 1.00 91.81 ? 1340 GLU B OE2 1 ATOM 2290 N N . HIS B 2 110 ? -13.118 -24.357 -5.948 1.00 66.52 ? 1341 HIS B N 1 ATOM 2291 C CA . HIS B 2 110 ? -13.643 -23.769 -7.181 1.00 64.67 ? 1341 HIS B CA 1 ATOM 2292 C C . HIS B 2 110 ? -13.327 -22.286 -7.378 1.00 64.57 ? 1341 HIS B C 1 ATOM 2293 O O . HIS B 2 110 ? -13.651 -21.720 -8.415 1.00 65.30 ? 1341 HIS B O 1 ATOM 2294 C CB . HIS B 2 110 ? -15.159 -23.963 -7.239 1.00 64.36 ? 1341 HIS B CB 1 ATOM 2295 C CG . HIS B 2 110 ? -15.582 -25.398 -7.292 1.00 87.48 ? 1341 HIS B CG 1 ATOM 2296 N ND1 . HIS B 2 110 ? -16.098 -26.064 -6.201 1.00 86.07 ? 1341 HIS B ND1 1 ATOM 2297 C CD2 . HIS B 2 110 ? -15.565 -26.295 -8.306 1.00 85.93 ? 1341 HIS B CD2 1 ATOM 2298 C CE1 . HIS B 2 110 ? -16.381 -27.309 -6.541 1.00 90.02 ? 1341 HIS B CE1 1 ATOM 2299 N NE2 . HIS B 2 110 ? -16.068 -27.474 -7.813 1.00 91.75 ? 1341 HIS B NE2 1 ATOM 2300 N N . ALA B 2 111 ? -12.697 -21.649 -6.396 1.00 62.71 ? 1342 ALA B N 1 ATOM 2301 C CA . ALA B 2 111 ? -12.482 -20.207 -6.485 1.00 61.45 ? 1342 ALA B CA 1 ATOM 2302 C C . ALA B 2 111 ? -11.210 -19.856 -7.255 1.00 60.07 ? 1342 ALA B C 1 ATOM 2303 O O . ALA B 2 111 ? -11.097 -18.764 -7.805 1.00 69.21 ? 1342 ALA B O 1 ATOM 2304 C CB . ALA B 2 111 ? -12.446 -19.586 -5.089 1.00 60.21 ? 1342 ALA B CB 1 ATOM 2305 N N . GLY B 2 112 ? -10.253 -20.777 -7.292 1.00 64.43 ? 1343 GLY B N 1 ATOM 2306 C CA . GLY B 2 112 ? -8.973 -20.504 -7.925 1.00 66.63 ? 1343 GLY B CA 1 ATOM 2307 C C . GLY B 2 112 ? -8.308 -19.296 -7.295 1.00 66.29 ? 1343 GLY B C 1 ATOM 2308 O O . GLY B 2 112 ? -8.285 -19.160 -6.066 1.00 64.98 ? 1343 GLY B O 1 ATOM 2309 N N . THR B 2 113 ? -7.788 -18.400 -8.127 1.00 65.42 ? 1344 THR B N 1 ATOM 2310 C CA . THR B 2 113 ? -7.119 -17.200 -7.625 1.00 71.04 ? 1344 THR B CA 1 ATOM 2311 C C . THR B 2 113 ? -8.021 -15.962 -7.652 1.00 68.64 ? 1344 THR B C 1 ATOM 2312 O O . THR B 2 113 ? -7.551 -14.839 -7.443 1.00 65.52 ? 1344 THR B O 1 ATOM 2313 C CB . THR B 2 113 ? -5.844 -16.896 -8.434 1.00 75.65 ? 1344 THR B CB 1 ATOM 2314 O OG1 . THR B 2 113 ? -6.180 -16.722 -9.818 1.00 78.26 ? 1344 THR B OG1 1 ATOM 2315 C CG2 . THR B 2 113 ? -4.838 -18.031 -8.284 1.00 66.92 ? 1344 THR B CG2 1 ATOM 2316 N N . PHE B 2 114 ? -9.311 -16.174 -7.896 1.00 60.12 ? 1345 PHE B N 1 ATOM 2317 C CA . PHE B 2 114 ? -10.258 -15.072 -8.088 1.00 63.36 ? 1345 PHE B CA 1 ATOM 2318 C C . PHE B 2 114 ? -10.240 -14.066 -6.927 1.00 58.25 ? 1345 PHE B C 1 ATOM 2319 O O . PHE B 2 114 ? -10.132 -12.859 -7.139 1.00 62.57 ? 1345 PHE B O 1 ATOM 2320 C CB . PHE B 2 114 ? -11.670 -15.636 -8.287 1.00 62.58 ? 1345 PHE B CB 1 ATOM 2321 C CG . PHE B 2 114 ? -12.755 -14.595 -8.305 1.00 62.92 ? 1345 PHE B CG 1 ATOM 2322 C CD1 . PHE B 2 114 ? -13.083 -13.937 -9.482 1.00 66.74 ? 1345 PHE B CD1 1 ATOM 2323 C CD2 . PHE B 2 114 ? -13.468 -14.295 -7.150 1.00 59.51 ? 1345 PHE B CD2 1 ATOM 2324 C CE1 . PHE B 2 114 ? -14.088 -12.987 -9.506 1.00 68.88 ? 1345 PHE B CE1 1 ATOM 2325 C CE2 . PHE B 2 114 ? -14.476 -13.342 -7.163 1.00 66.05 ? 1345 PHE B CE2 1 ATOM 2326 C CZ . PHE B 2 114 ? -14.786 -12.687 -8.342 1.00 75.34 ? 1345 PHE B CZ 1 ATOM 2327 N N . PHE B 2 115 ? -10.334 -14.560 -5.701 1.00 56.65 ? 1346 PHE B N 1 ATOM 2328 C CA . PHE B 2 115 ? -10.357 -13.667 -4.544 1.00 58.56 ? 1346 PHE B CA 1 ATOM 2329 C C . PHE B 2 115 ? -8.962 -13.142 -4.213 1.00 61.78 ? 1346 PHE B C 1 ATOM 2330 O O . PHE B 2 115 ? -8.814 -12.008 -3.761 1.00 62.03 ? 1346 PHE B O 1 ATOM 2331 C CB . PHE B 2 115 ? -10.967 -14.371 -3.342 1.00 53.15 ? 1346 PHE B CB 1 ATOM 2332 C CG . PHE B 2 115 ? -12.442 -14.602 -3.467 1.00 55.69 ? 1346 PHE B CG 1 ATOM 2333 C CD1 . PHE B 2 115 ? -13.312 -13.533 -3.642 1.00 57.69 ? 1346 PHE B CD1 1 ATOM 2334 C CD2 . PHE B 2 115 ? -12.966 -15.882 -3.391 1.00 56.72 ? 1346 PHE B CD2 1 ATOM 2335 C CE1 . PHE B 2 115 ? -14.667 -13.741 -3.752 1.00 55.43 ? 1346 PHE B CE1 1 ATOM 2336 C CE2 . PHE B 2 115 ? -14.323 -16.096 -3.499 1.00 55.31 ? 1346 PHE B CE2 1 ATOM 2337 C CZ . PHE B 2 115 ? -15.179 -15.021 -3.675 1.00 55.52 ? 1346 PHE B CZ 1 ATOM 2338 N N . ASP B 2 116 ? -7.941 -13.960 -4.449 1.00 59.54 ? 1347 ASP B N 1 ATOM 2339 C CA . ASP B 2 116 ? -6.565 -13.498 -4.317 1.00 65.25 ? 1347 ASP B CA 1 ATOM 2340 C C . ASP B 2 116 ? -6.264 -12.349 -5.286 1.00 64.28 ? 1347 ASP B C 1 ATOM 2341 O O . ASP B 2 116 ? -5.610 -11.370 -4.914 1.00 55.73 ? 1347 ASP B O 1 ATOM 2342 C CB . ASP B 2 116 ? -5.585 -14.655 -4.543 1.00 74.88 ? 1347 ASP B CB 1 ATOM 2343 C CG . ASP B 2 116 ? -5.646 -15.695 -3.436 1.00 76.61 ? 1347 ASP B CG 1 ATOM 2344 O OD1 . ASP B 2 116 ? -6.278 -15.418 -2.390 1.00 73.25 ? 1347 ASP B OD1 1 ATOM 2345 O OD2 . ASP B 2 116 ? -5.059 -16.785 -3.611 1.00 79.95 ? 1347 ASP B OD2 1 ATOM 2346 N N . GLU B 2 117 ? -6.738 -12.471 -6.526 1.00 63.32 ? 1348 GLU B N 1 ATOM 2347 C CA . GLU B 2 117 ? -6.589 -11.400 -7.505 1.00 67.29 ? 1348 GLU B CA 1 ATOM 2348 C C . GLU B 2 117 ? -7.293 -10.131 -7.026 1.00 68.46 ? 1348 GLU B C 1 ATOM 2349 O O . GLU B 2 117 ? -6.738 -9.034 -7.107 1.00 72.82 ? 1348 GLU B O 1 ATOM 2350 C CB . GLU B 2 117 ? -7.139 -11.829 -8.872 1.00 68.11 ? 1348 GLU B CB 1 ATOM 2351 N N . ILE B 2 118 ? -8.518 -10.291 -6.530 1.00 61.97 ? 1349 ILE B N 1 ATOM 2352 C CA . ILE B 2 118 ? -9.278 -9.177 -5.959 1.00 63.98 ? 1349 ILE B CA 1 ATOM 2353 C C . ILE B 2 118 ? -8.508 -8.478 -4.832 1.00 60.69 ? 1349 ILE B C 1 ATOM 2354 O O . ILE B 2 118 ? -8.513 -7.251 -4.746 1.00 60.14 ? 1349 ILE B O 1 ATOM 2355 C CB . ILE B 2 118 ? -10.655 -9.646 -5.418 1.00 61.81 ? 1349 ILE B CB 1 ATOM 2356 C CG1 . ILE B 2 118 ? -11.581 -10.036 -6.570 1.00 68.68 ? 1349 ILE B CG1 1 ATOM 2357 C CG2 . ILE B 2 118 ? -11.308 -8.559 -4.566 1.00 62.46 ? 1349 ILE B CG2 1 ATOM 2358 C CD1 . ILE B 2 118 ? -12.841 -10.737 -6.131 1.00 66.62 ? 1349 ILE B CD1 1 ATOM 2359 N N . GLN B 2 119 ? -7.846 -9.257 -3.974 1.00 54.03 ? 1350 GLN B N 1 ATOM 2360 C CA . GLN B 2 119 ? -7.089 -8.685 -2.861 1.00 54.86 ? 1350 GLN B CA 1 ATOM 2361 C C . GLN B 2 119 ? -5.940 -7.812 -3.353 1.00 57.22 ? 1350 GLN B C 1 ATOM 2362 O O . GLN B 2 119 ? -5.703 -6.728 -2.822 1.00 59.18 ? 1350 GLN B O 1 ATOM 2363 C CB . GLN B 2 119 ? -6.543 -9.788 -1.948 1.00 52.50 ? 1350 GLN B CB 1 ATOM 2364 C CG . GLN B 2 119 ? -5.661 -9.273 -0.819 1.00 56.24 ? 1350 GLN B CG 1 ATOM 2365 C CD . GLN B 2 119 ? -5.027 -10.394 -0.007 1.00 54.52 ? 1350 GLN B CD 1 ATOM 2366 O OE1 . GLN B 2 119 ? -5.219 -11.575 -0.300 1.00 58.49 ? 1350 GLN B OE1 1 ATOM 2367 N NE2 . GLN B 2 119 ? -4.272 -10.025 1.021 1.00 52.17 ? 1350 GLN B NE2 1 ATOM 2368 N N . GLN B 2 120 ? -5.224 -8.300 -4.363 1.00 62.56 ? 1351 GLN B N 1 ATOM 2369 C CA . GLN B 2 120 ? -4.094 -7.574 -4.936 1.00 70.94 ? 1351 GLN B CA 1 ATOM 2370 C C . GLN B 2 120 ? -4.522 -6.235 -5.528 1.00 73.09 ? 1351 GLN B C 1 ATOM 2371 O O . GLN B 2 120 ? -3.879 -5.207 -5.304 1.00 78.32 ? 1351 GLN B O 1 ATOM 2372 C CB . GLN B 2 120 ? -3.408 -8.415 -6.009 1.00 71.02 ? 1351 GLN B CB 1 ATOM 2373 N N . ARG B 2 121 ? -5.616 -6.249 -6.278 1.00 67.33 ? 1352 ARG B N 1 ATOM 2374 C CA . ARG B 2 121 ? -6.076 -5.047 -6.956 1.00 71.57 ? 1352 ARG B CA 1 ATOM 2375 C C . ARG B 2 121 ? -6.547 -3.965 -5.984 1.00 71.30 ? 1352 ARG B C 1 ATOM 2376 O O . ARG B 2 121 ? -6.511 -2.782 -6.315 1.00 73.72 ? 1352 ARG B O 1 ATOM 2377 C CB . ARG B 2 121 ? -7.190 -5.397 -7.945 1.00 76.37 ? 1352 ARG B CB 1 ATOM 2378 C CG . ARG B 2 121 ? -6.755 -6.406 -9.003 1.00 82.22 ? 1352 ARG B CG 1 ATOM 2379 C CD . ARG B 2 121 ? -7.731 -6.477 -10.159 1.00 83.33 ? 1352 ARG B CD 1 ATOM 2380 N NE . ARG B 2 121 ? -9.121 -6.589 -9.721 1.00 85.24 ? 1352 ARG B NE 1 ATOM 2381 C CZ . ARG B 2 121 ? -9.768 -7.739 -9.554 1.00 78.76 ? 1352 ARG B CZ 1 ATOM 2382 N NH1 . ARG B 2 121 ? -9.153 -8.897 -9.779 1.00 68.93 ? 1352 ARG B NH1 1 ATOM 2383 N NH2 . ARG B 2 121 ? -11.034 -7.731 -9.160 1.00 84.33 ? 1352 ARG B NH2 1 ATOM 2384 N N . HIS B 2 122 ? -6.976 -4.360 -4.785 1.00 64.78 ? 1353 HIS B N 1 ATOM 2385 C CA . HIS B 2 122 ? -7.441 -3.392 -3.799 1.00 67.81 ? 1353 HIS B CA 1 ATOM 2386 C C . HIS B 2 122 ? -6.370 -3.089 -2.753 1.00 70.11 ? 1353 HIS B C 1 ATOM 2387 O O . HIS B 2 122 ? -6.551 -2.216 -1.905 1.00 65.54 ? 1353 HIS B O 1 ATOM 2388 C CB . HIS B 2 122 ? -8.717 -3.889 -3.109 1.00 66.19 ? 1353 HIS B CB 1 ATOM 2389 C CG . HIS B 2 122 ? -9.950 -3.783 -3.954 1.00 70.24 ? 1353 HIS B CG 1 ATOM 2390 N ND1 . HIS B 2 122 ? -10.712 -2.637 -4.019 1.00 77.69 ? 1353 HIS B ND1 1 ATOM 2391 C CD2 . HIS B 2 122 ? -10.561 -4.686 -4.761 1.00 71.54 ? 1353 HIS B CD2 1 ATOM 2392 C CE1 . HIS B 2 122 ? -11.735 -2.833 -4.833 1.00 79.79 ? 1353 HIS B CE1 1 ATOM 2393 N NE2 . HIS B 2 122 ? -11.666 -4.069 -5.296 1.00 76.25 ? 1353 HIS B NE2 1 ATOM 2394 N N . GLY B 2 123 ? -5.259 -3.816 -2.811 1.00 63.05 ? 1354 GLY B N 1 ATOM 2395 C CA . GLY B 2 123 ? -4.171 -3.619 -1.869 1.00 61.08 ? 1354 GLY B CA 1 ATOM 2396 C C . GLY B 2 123 ? -4.545 -3.917 -0.424 1.00 56.45 ? 1354 GLY B C 1 ATOM 2397 O O . GLY B 2 123 ? -4.073 -3.256 0.505 1.00 52.93 ? 1354 GLY B O 1 ATOM 2398 N N . LEU B 2 124 ? -5.393 -4.920 -0.232 1.00 51.47 ? 1355 LEU B N 1 ATOM 2399 C CA . LEU B 2 124 ? -5.825 -5.307 1.109 1.00 47.84 ? 1355 LEU B CA 1 ATOM 2400 C C . LEU B 2 124 ? -4.789 -6.203 1.769 1.00 50.76 ? 1355 LEU B C 1 ATOM 2401 O O . LEU B 2 124 ? -4.277 -7.135 1.146 1.00 54.47 ? 1355 LEU B O 1 ATOM 2402 C CB . LEU B 2 124 ? -7.173 -6.023 1.055 1.00 47.12 ? 1355 LEU B CB 1 ATOM 2403 C CG . LEU B 2 124 ? -8.319 -5.230 0.428 1.00 49.95 ? 1355 LEU B CG 1 ATOM 2404 C CD1 . LEU B 2 124 ? -9.598 -6.045 0.413 1.00 59.51 ? 1355 LEU B CD1 1 ATOM 2405 C CD2 . LEU B 2 124 ? -8.521 -3.934 1.183 1.00 48.08 ? 1355 LEU B CD2 1 ATOM 2406 N N . ALA B 2 125 ? -4.485 -5.911 3.028 1.00 49.24 ? 1356 ALA B N 1 ATOM 2407 C CA . ALA B 2 125 ? -3.551 -6.717 3.801 1.00 55.33 ? 1356 ALA B CA 1 ATOM 2408 C C . ALA B 2 125 ? -4.206 -8.025 4.239 1.00 55.30 ? 1356 ALA B C 1 ATOM 2409 O O . ALA B 2 125 ? -3.534 -9.040 4.417 1.00 55.16 ? 1356 ALA B O 1 ATOM 2410 C CB . ALA B 2 125 ? -3.057 -5.938 4.999 1.00 45.41 ? 1356 ALA B CB 1 ATOM 2411 N N . ASN B 2 126 ? -5.524 -7.987 4.398 1.00 50.94 ? 1357 ASN B N 1 ATOM 2412 C CA . ASN B 2 126 ? -6.301 -9.159 4.786 1.00 50.16 ? 1357 ASN B CA 1 ATOM 2413 C C . ASN B 2 126 ? -6.939 -9.902 3.614 1.00 45.21 ? 1357 ASN B C 1 ATOM 2414 O O . ASN B 2 126 ? -7.656 -9.311 2.808 1.00 46.84 ? 1357 ASN B O 1 ATOM 2415 C CB . ASN B 2 126 ? -7.403 -8.751 5.758 1.00 49.71 ? 1357 ASN B CB 1 ATOM 2416 C CG . ASN B 2 126 ? -6.941 -8.754 7.204 1.00 61.26 ? 1357 ASN B CG 1 ATOM 2417 O OD1 . ASN B 2 126 ? -5.743 -8.737 7.497 1.00 73.53 ? 1357 ASN B OD1 1 ATOM 2418 N ND2 . ASN B 2 126 ? -7.898 -8.785 8.115 1.00 51.84 ? 1357 ASN B ND2 1 ATOM 2419 N N . SER B 2 127 ? -6.696 -11.206 3.553 1.00 42.61 ? 1358 SER B N 1 ATOM 2420 C CA . SER B 2 127 ? -7.308 -12.078 2.561 1.00 49.15 ? 1358 SER B CA 1 ATOM 2421 C C . SER B 2 127 ? -8.799 -12.250 2.833 1.00 49.17 ? 1358 SER B C 1 ATOM 2422 O O . SER B 2 127 ? -9.288 -11.838 3.877 1.00 44.30 ? 1358 SER B O 1 ATOM 2423 C CB . SER B 2 127 ? -6.618 -13.440 2.572 1.00 46.73 ? 1358 SER B CB 1 ATOM 2424 O OG . SER B 2 127 ? -6.907 -14.117 3.784 1.00 43.82 ? 1358 SER B OG 1 ATOM 2425 N N . ILE B 2 128 ? -9.531 -12.861 1.905 1.00 47.12 ? 1359 ILE B N 1 ATOM 2426 C CA . ILE B 2 128 ? -10.939 -13.126 2.172 1.00 39.97 ? 1359 ILE B CA 1 ATOM 2427 C C . ILE B 2 128 ? -11.070 -14.125 3.341 1.00 44.64 ? 1359 ILE B C 1 ATOM 2428 O O . ILE B 2 128 ? -11.978 -14.015 4.156 1.00 37.28 ? 1359 ILE B O 1 ATOM 2429 C CB . ILE B 2 128 ? -11.691 -13.638 0.910 1.00 42.79 ? 1359 ILE B CB 1 ATOM 2430 C CG1 . ILE B 2 128 ? -13.196 -13.704 1.185 1.00 39.94 ? 1359 ILE B CG1 1 ATOM 2431 C CG2 . ILE B 2 128 ? -11.134 -14.974 0.425 1.00 39.57 ? 1359 ILE B CG2 1 ATOM 2432 C CD1 . ILE B 2 128 ? -14.012 -14.169 -0.001 1.00 44.11 ? 1359 ILE B CD1 1 ATOM 2433 N N . SER B 2 129 ? -10.147 -15.080 3.446 1.00 37.34 ? 1360 SER B N 1 ATOM 2434 C CA . SER B 2 129 ? -10.178 -16.020 4.558 1.00 40.21 ? 1360 SER B CA 1 ATOM 2435 C C . SER B 2 129 ? -9.934 -15.300 5.881 1.00 39.12 ? 1360 SER B C 1 ATOM 2436 O O . SER B 2 129 ? -10.530 -15.645 6.906 1.00 36.04 ? 1360 SER B O 1 ATOM 2437 C CB . SER B 2 129 ? -9.144 -17.128 4.359 1.00 39.90 ? 1360 SER B CB 1 ATOM 2438 O OG . SER B 2 129 ? -9.342 -17.739 3.087 1.00 54.66 ? 1360 SER B OG 1 ATOM 2439 N N . SER B 2 130 ? -9.066 -14.293 5.858 1.00 31.76 ? 1361 SER B N 1 ATOM 2440 C CA . SER B 2 130 ? -8.815 -13.508 7.066 1.00 36.05 ? 1361 SER B CA 1 ATOM 2441 C C . SER B 2 130 ? -10.057 -12.719 7.519 1.00 34.69 ? 1361 SER B C 1 ATOM 2442 O O . SER B 2 130 ? -10.287 -12.532 8.725 1.00 30.52 ? 1361 SER B O 1 ATOM 2443 C CB . SER B 2 130 ? -7.635 -12.550 6.851 1.00 36.37 ? 1361 SER B CB 1 ATOM 2444 O OG . SER B 2 130 ? -7.473 -11.706 7.981 1.00 37.31 ? 1361 SER B OG 1 ATOM 2445 N N . TYR B 2 131 ? -10.847 -12.239 6.564 1.00 37.09 ? 1362 TYR B N 1 ATOM 2446 C CA . TYR B 2 131 ? -12.057 -11.513 6.916 1.00 34.00 ? 1362 TYR B CA 1 ATOM 2447 C C . TYR B 2 131 ? -13.166 -12.440 7.396 1.00 28.30 ? 1362 TYR B C 1 ATOM 2448 O O . TYR B 2 131 ? -13.875 -12.120 8.355 1.00 29.76 ? 1362 TYR B O 1 ATOM 2449 C CB . TYR B 2 131 ? -12.569 -10.687 5.725 1.00 35.89 ? 1362 TYR B CB 1 ATOM 2450 C CG . TYR B 2 131 ? -11.875 -9.359 5.530 1.00 33.19 ? 1362 TYR B CG 1 ATOM 2451 C CD1 . TYR B 2 131 ? -12.118 -8.304 6.384 1.00 37.62 ? 1362 TYR B CD1 1 ATOM 2452 C CD2 . TYR B 2 131 ? -10.988 -9.158 4.483 1.00 45.25 ? 1362 TYR B CD2 1 ATOM 2453 C CE1 . TYR B 2 131 ? -11.501 -7.087 6.220 1.00 34.78 ? 1362 TYR B CE1 1 ATOM 2454 C CE2 . TYR B 2 131 ? -10.362 -7.931 4.303 1.00 51.92 ? 1362 TYR B CE2 1 ATOM 2455 C CZ . TYR B 2 131 ? -10.630 -6.898 5.177 1.00 47.67 ? 1362 TYR B CZ 1 ATOM 2456 O OH . TYR B 2 131 ? -10.025 -5.672 5.027 1.00 46.49 ? 1362 TYR B OH 1 ATOM 2457 N N . LEU B 2 132 ? -13.329 -13.573 6.720 1.00 31.50 ? 1363 LEU B N 1 ATOM 2458 C CA . LEU B 2 132 ? -14.440 -14.484 6.996 1.00 35.74 ? 1363 LEU B CA 1 ATOM 2459 C C . LEU B 2 132 ? -14.306 -15.229 8.343 1.00 33.72 ? 1363 LEU B C 1 ATOM 2460 O O . LEU B 2 132 ? -15.285 -15.788 8.832 1.00 35.41 ? 1363 LEU B O 1 ATOM 2461 C CB . LEU B 2 132 ? -14.597 -15.491 5.846 1.00 34.53 ? 1363 LEU B CB 1 ATOM 2462 C CG . LEU B 2 132 ? -15.091 -14.915 4.509 1.00 34.84 ? 1363 LEU B CG 1 ATOM 2463 C CD1 . LEU B 2 132 ? -15.212 -16.005 3.427 1.00 38.33 ? 1363 LEU B CD1 1 ATOM 2464 C CD2 . LEU B 2 132 ? -16.417 -14.157 4.682 1.00 37.01 ? 1363 LEU B CD2 1 ATOM 2465 N N . ILE B 2 133 ? -13.109 -15.244 8.927 1.00 30.97 ? 1364 ILE B N 1 ATOM 2466 C CA . ILE B 2 133 ? -12.901 -15.855 10.253 1.00 34.28 ? 1364 ILE B CA 1 ATOM 2467 C C . ILE B 2 133 ? -13.318 -14.895 11.376 1.00 33.18 ? 1364 ILE B C 1 ATOM 2468 O O . ILE B 2 133 ? -13.517 -15.305 12.513 1.00 31.72 ? 1364 ILE B O 1 ATOM 2469 C CB . ILE B 2 133 ? -11.407 -16.290 10.465 1.00 33.50 ? 1364 ILE B CB 1 ATOM 2470 C CG1 . ILE B 2 133 ? -11.244 -17.261 11.647 1.00 31.82 ? 1364 ILE B CG1 1 ATOM 2471 C CG2 . ILE B 2 133 ? -10.499 -15.075 10.624 1.00 34.36 ? 1364 ILE B CG2 1 ATOM 2472 C CD1 . ILE B 2 133 ? -12.011 -18.568 11.500 1.00 36.24 ? 1364 ILE B CD1 1 ATOM 2473 N N . LYS B 2 134 ? -13.466 -13.614 11.054 1.00 33.16 ? 1365 LYS B N 1 ATOM 2474 C CA . LYS B 2 134 ? -13.612 -12.598 12.101 1.00 37.18 ? 1365 LYS B CA 1 ATOM 2475 C C . LYS B 2 134 ? -14.892 -12.704 12.932 1.00 31.31 ? 1365 LYS B C 1 ATOM 2476 O O . LYS B 2 134 ? -14.869 -12.408 14.131 1.00 28.56 ? 1365 LYS B O 1 ATOM 2477 C CB . LYS B 2 134 ? -13.514 -11.199 11.490 1.00 30.45 ? 1365 LYS B CB 1 ATOM 2478 C CG . LYS B 2 134 ? -12.075 -10.788 11.195 1.00 35.12 ? 1365 LYS B CG 1 ATOM 2479 C CD . LYS B 2 134 ? -11.976 -9.430 10.525 1.00 39.11 ? 1365 LYS B CD 1 ATOM 2480 C CE . LYS B 2 134 ? -10.519 -9.028 10.292 1.00 40.92 ? 1365 LYS B CE 1 ATOM 2481 N NZ . LYS B 2 134 ? -9.826 -8.700 11.574 1.00 36.15 ? 1365 LYS B NZ 1 ATOM 2482 N N . PRO B 2 135 ? -16.025 -13.088 12.306 1.00 30.51 ? 1366 PRO B N 1 ATOM 2483 C CA . PRO B 2 135 ? -17.197 -13.292 13.165 1.00 30.77 ? 1366 PRO B CA 1 ATOM 2484 C C . PRO B 2 135 ? -17.005 -14.440 14.164 1.00 33.36 ? 1366 PRO B C 1 ATOM 2485 O O . PRO B 2 135 ? -17.550 -14.386 15.272 1.00 30.87 ? 1366 PRO B O 1 ATOM 2486 C CB . PRO B 2 135 ? -18.319 -13.612 12.160 1.00 31.87 ? 1366 PRO B CB 1 ATOM 2487 C CG . PRO B 2 135 ? -17.858 -12.992 10.869 1.00 30.67 ? 1366 PRO B CG 1 ATOM 2488 C CD . PRO B 2 135 ? -16.364 -13.200 10.875 1.00 28.46 ? 1366 PRO B CD 1 ATOM 2489 N N . VAL B 2 136 ? -16.236 -15.463 13.784 1.00 29.84 ? 1367 VAL B N 1 ATOM 2490 C CA . VAL B 2 136 ? -15.962 -16.571 14.693 1.00 31.54 ? 1367 VAL B CA 1 ATOM 2491 C C . VAL B 2 136 ? -15.098 -16.078 15.850 1.00 31.80 ? 1367 VAL B C 1 ATOM 2492 O O . VAL B 2 136 ? -15.298 -16.457 17.014 1.00 31.91 ? 1367 VAL B O 1 ATOM 2493 C CB . VAL B 2 136 ? -15.263 -17.750 13.958 1.00 31.49 ? 1367 VAL B CB 1 ATOM 2494 C CG1 . VAL B 2 136 ? -14.960 -18.890 14.926 1.00 30.28 ? 1367 VAL B CG1 1 ATOM 2495 C CG2 . VAL B 2 136 ? -16.135 -18.232 12.783 1.00 30.93 ? 1367 VAL B CG2 1 ATOM 2496 N N . GLN B 2 137 ? -14.144 -15.209 15.536 1.00 30.70 ? 1368 GLN B N 1 ATOM 2497 C CA . GLN B 2 137 ? -13.284 -14.651 16.569 1.00 31.82 ? 1368 GLN B CA 1 ATOM 2498 C C . GLN B 2 137 ? -14.078 -13.709 17.479 1.00 29.64 ? 1368 GLN B C 1 ATOM 2499 O O . GLN B 2 137 ? -13.922 -13.731 18.721 1.00 29.48 ? 1368 GLN B O 1 ATOM 2500 C CB . GLN B 2 137 ? -12.091 -13.918 15.938 1.00 27.53 ? 1368 GLN B CB 1 ATOM 2501 C CG . GLN B 2 137 ? -11.094 -14.835 15.198 1.00 30.43 ? 1368 GLN B CG 1 ATOM 2502 C CD . GLN B 2 137 ? -10.069 -14.060 14.371 1.00 34.46 ? 1368 GLN B CD 1 ATOM 2503 O OE1 . GLN B 2 137 ? -10.300 -12.909 13.997 1.00 32.32 ? 1368 GLN B OE1 1 ATOM 2504 N NE2 . GLN B 2 137 ? -8.927 -14.687 14.093 1.00 31.90 ? 1368 GLN B NE2 1 ATOM 2505 N N . ARG B 2 138 ? -14.930 -12.878 16.878 1.00 30.99 ? 1369 ARG B N 1 ATOM 2506 C CA . ARG B 2 138 ? -15.617 -11.844 17.654 1.00 25.91 ? 1369 ARG B CA 1 ATOM 2507 C C . ARG B 2 138 ? -16.606 -12.452 18.644 1.00 29.32 ? 1369 ARG B C 1 ATOM 2508 O O . ARG B 2 138 ? -16.672 -12.015 19.796 1.00 28.13 ? 1369 ARG B O 1 ATOM 2509 C CB . ARG B 2 138 ? -16.339 -10.847 16.735 1.00 28.62 ? 1369 ARG B CB 1 ATOM 2510 C CG . ARG B 2 138 ? -16.937 -9.639 17.477 1.00 25.87 ? 1369 ARG B CG 1 ATOM 2511 C CD . ARG B 2 138 ? -15.825 -8.680 17.924 1.00 30.21 ? 1369 ARG B CD 1 ATOM 2512 N NE . ARG B 2 138 ? -16.303 -7.478 18.614 1.00 22.41 ? 1369 ARG B NE 1 ATOM 2513 C CZ . ARG B 2 138 ? -15.530 -6.716 19.385 1.00 23.54 ? 1369 ARG B CZ 1 ATOM 2514 N NH1 . ARG B 2 138 ? -14.242 -7.043 19.581 1.00 27.73 ? 1369 ARG B NH1 1 ATOM 2515 N NH2 . ARG B 2 138 ? -16.033 -5.645 19.991 1.00 23.75 ? 1369 ARG B NH2 1 ATOM 2516 N N . VAL B 2 139 ? -17.353 -13.471 18.218 1.00 27.60 ? 1370 VAL B N 1 ATOM 2517 C CA . VAL B 2 139 ? -18.375 -14.044 19.092 1.00 29.54 ? 1370 VAL B CA 1 ATOM 2518 C C . VAL B 2 139 ? -17.763 -14.838 20.266 1.00 32.44 ? 1370 VAL B C 1 ATOM 2519 O O . VAL B 2 139 ? -18.455 -15.104 21.253 1.00 34.16 ? 1370 VAL B O 1 ATOM 2520 C CB . VAL B 2 139 ? -19.357 -14.943 18.306 1.00 30.43 ? 1370 VAL B CB 1 ATOM 2521 C CG1 . VAL B 2 139 ? -18.747 -16.318 18.037 1.00 36.40 ? 1370 VAL B CG1 1 ATOM 2522 C CG2 . VAL B 2 139 ? -20.671 -15.073 19.071 1.00 34.57 ? 1370 VAL B CG2 1 ATOM 2523 N N . THR B 2 140 ? -16.476 -15.189 20.179 1.00 29.34 ? 1371 THR B N 1 ATOM 2524 C CA . THR B 2 140 ? -15.788 -15.844 21.302 1.00 30.61 ? 1371 THR B CA 1 ATOM 2525 C C . THR B 2 140 ? -14.927 -14.879 22.131 1.00 33.83 ? 1371 THR B C 1 ATOM 2526 O O . THR B 2 140 ? -14.295 -15.283 23.113 1.00 35.66 ? 1371 THR B O 1 ATOM 2527 C CB . THR B 2 140 ? -14.880 -17.028 20.831 1.00 33.89 ? 1371 THR B CB 1 ATOM 2528 O OG1 . THR B 2 140 ? -13.977 -16.593 19.808 1.00 33.84 ? 1371 THR B OG1 1 ATOM 2529 C CG2 . THR B 2 140 ? -15.721 -18.178 20.297 1.00 32.94 ? 1371 THR B CG2 1 ATOM 2530 N N . LYS B 2 141 ? -14.901 -13.609 21.737 1.00 29.73 ? 1372 LYS B N 1 ATOM 2531 C CA . LYS B 2 141 ? -14.100 -12.600 22.424 1.00 32.99 ? 1372 LYS B CA 1 ATOM 2532 C C . LYS B 2 141 ? -14.900 -11.822 23.486 1.00 26.81 ? 1372 LYS B C 1 ATOM 2533 O O . LYS B 2 141 ? -14.343 -11.364 24.501 1.00 30.60 ? 1372 LYS B O 1 ATOM 2534 C CB . LYS B 2 141 ? -13.507 -11.636 21.391 1.00 41.51 ? 1372 LYS B CB 1 ATOM 2535 C CG . LYS B 2 141 ? -12.111 -11.135 21.715 1.00 48.98 ? 1372 LYS B CG 1 ATOM 2536 C CD . LYS B 2 141 ? -11.047 -12.231 21.574 1.00 41.96 ? 1372 LYS B CD 1 ATOM 2537 C CE . LYS B 2 141 ? -10.633 -12.473 20.138 1.00 41.59 ? 1372 LYS B CE 1 ATOM 2538 N NZ . LYS B 2 141 ? -9.455 -13.421 20.057 1.00 38.33 ? 1372 LYS B NZ 1 ATOM 2539 N N . TYR B 2 142 ? -16.205 -11.664 23.269 1.00 29.19 ? 1373 TYR B N 1 ATOM 2540 C CA . TYR B 2 142 ? -16.994 -10.860 24.201 1.00 26.75 ? 1373 TYR B CA 1 ATOM 2541 C C . TYR B 2 142 ? -16.952 -11.434 25.625 1.00 31.59 ? 1373 TYR B C 1 ATOM 2542 O O . TYR B 2 142 ? -16.901 -10.673 26.597 1.00 29.30 ? 1373 TYR B O 1 ATOM 2543 C CB . TYR B 2 142 ? -18.453 -10.731 23.742 1.00 23.99 ? 1373 TYR B CB 1 ATOM 2544 C CG . TYR B 2 142 ? -18.680 -9.865 22.520 1.00 22.94 ? 1373 TYR B CG 1 ATOM 2545 C CD1 . TYR B 2 142 ? -18.403 -8.492 22.536 1.00 20.81 ? 1373 TYR B CD1 1 ATOM 2546 C CD2 . TYR B 2 142 ? -19.205 -10.411 21.347 1.00 29.07 ? 1373 TYR B CD2 1 ATOM 2547 C CE1 . TYR B 2 142 ? -18.640 -7.688 21.404 1.00 25.38 ? 1373 TYR B CE1 1 ATOM 2548 C CE2 . TYR B 2 142 ? -19.429 -9.626 20.224 1.00 28.06 ? 1373 TYR B CE2 1 ATOM 2549 C CZ . TYR B 2 142 ? -19.145 -8.273 20.248 1.00 26.88 ? 1373 TYR B CZ 1 ATOM 2550 O OH . TYR B 2 142 ? -19.387 -7.501 19.125 1.00 26.89 ? 1373 TYR B OH 1 ATOM 2551 N N . GLN B 2 143 ? -16.971 -12.760 25.759 1.00 28.21 ? 1374 GLN B N 1 ATOM 2552 C CA . GLN B 2 143 ? -16.946 -13.367 27.090 1.00 30.20 ? 1374 GLN B CA 1 ATOM 2553 C C . GLN B 2 143 ? -15.632 -13.050 27.829 1.00 31.59 ? 1374 GLN B C 1 ATOM 2554 O O . GLN B 2 143 ? -15.629 -12.882 29.062 1.00 33.60 ? 1374 GLN B O 1 ATOM 2555 C CB . GLN B 2 143 ? -17.186 -14.894 27.023 1.00 29.07 ? 1374 GLN B CB 1 ATOM 2556 C CG . GLN B 2 143 ? -16.302 -15.696 26.084 1.00 32.25 ? 1374 GLN B CG 1 ATOM 2557 C CD . GLN B 2 143 ? -15.079 -16.315 26.749 1.00 37.03 ? 1374 GLN B CD 1 ATOM 2558 O OE1 . GLN B 2 143 ? -14.913 -16.269 27.974 1.00 36.82 ? 1374 GLN B OE1 1 ATOM 2559 N NE2 . GLN B 2 143 ? -14.206 -16.898 25.934 1.00 37.41 ? 1374 GLN B NE2 1 ATOM 2560 N N . LEU B 2 144 ? -14.525 -12.936 27.096 1.00 30.58 ? 1375 LEU B N 1 ATOM 2561 C CA . LEU B 2 144 ? -13.245 -12.607 27.732 1.00 29.39 ? 1375 LEU B CA 1 ATOM 2562 C C . LEU B 2 144 ? -13.274 -11.211 28.337 1.00 29.69 ? 1375 LEU B C 1 ATOM 2563 O O . LEU B 2 144 ? -12.747 -10.989 29.431 1.00 30.64 ? 1375 LEU B O 1 ATOM 2564 C CB . LEU B 2 144 ? -12.085 -12.692 26.736 1.00 28.68 ? 1375 LEU B CB 1 ATOM 2565 C CG . LEU B 2 144 ? -11.691 -14.080 26.234 1.00 30.99 ? 1375 LEU B CG 1 ATOM 2566 C CD1 . LEU B 2 144 ? -10.442 -13.981 25.372 1.00 33.88 ? 1375 LEU B CD1 1 ATOM 2567 C CD2 . LEU B 2 144 ? -11.453 -15.005 27.415 1.00 35.58 ? 1375 LEU B CD2 1 ATOM 2568 N N . LEU B 2 145 ? -13.889 -10.275 27.617 1.00 28.62 ? 1376 LEU B N 1 ATOM 2569 C CA . LEU B 2 145 ? -13.956 -8.889 28.078 1.00 24.96 ? 1376 LEU B CA 1 ATOM 2570 C C . LEU B 2 145 ? -14.887 -8.766 29.277 1.00 30.37 ? 1376 LEU B C 1 ATOM 2571 O O . LEU B 2 145 ? -14.587 -8.019 30.215 1.00 28.28 ? 1376 LEU B O 1 ATOM 2572 C CB . LEU B 2 145 ? -14.408 -7.964 26.945 1.00 24.12 ? 1376 LEU B CB 1 ATOM 2573 C CG . LEU B 2 145 ? -13.386 -7.777 25.811 1.00 25.56 ? 1376 LEU B CG 1 ATOM 2574 C CD1 . LEU B 2 145 ? -14.091 -7.223 24.558 1.00 27.90 ? 1376 LEU B CD1 1 ATOM 2575 C CD2 . LEU B 2 145 ? -12.245 -6.855 26.202 1.00 26.36 ? 1376 LEU B CD2 1 ATOM 2576 N N . LEU B 2 146 ? -16.003 -9.497 29.261 1.00 27.59 ? 1377 LEU B N 1 ATOM 2577 C CA . LEU B 2 146 ? -16.927 -9.498 30.415 1.00 30.39 ? 1377 LEU B CA 1 ATOM 2578 C C . LEU B 2 146 ? -16.274 -10.129 31.671 1.00 34.24 ? 1377 LEU B C 1 ATOM 2579 O O . LEU B 2 146 ? -16.466 -9.640 32.791 1.00 33.37 ? 1377 LEU B O 1 ATOM 2580 C CB . LEU B 2 146 ? -18.230 -10.228 30.065 1.00 28.07 ? 1377 LEU B CB 1 ATOM 2581 C CG . LEU B 2 146 ? -19.144 -9.493 29.068 1.00 30.84 ? 1377 LEU B CG 1 ATOM 2582 C CD1 . LEU B 2 146 ? -20.158 -10.430 28.410 1.00 35.36 ? 1377 LEU B CD1 1 ATOM 2583 C CD2 . LEU B 2 146 ? -19.868 -8.296 29.701 1.00 29.63 ? 1377 LEU B CD2 1 ATOM 2584 N N . LYS B 2 147 ? -15.504 -11.204 31.489 1.00 34.35 ? 1378 LYS B N 1 ATOM 2585 C CA . LYS B 2 147 ? -14.740 -11.800 32.588 1.00 37.48 ? 1378 LYS B CA 1 ATOM 2586 C C . LYS B 2 147 ? -13.732 -10.799 33.160 1.00 40.81 ? 1378 LYS B C 1 ATOM 2587 O O . LYS B 2 147 ? -13.540 -10.725 34.379 1.00 37.11 ? 1378 LYS B O 1 ATOM 2588 C CB . LYS B 2 147 ? -14.011 -13.073 32.133 1.00 35.86 ? 1378 LYS B CB 1 ATOM 2589 C CG . LYS B 2 147 ? -14.896 -14.297 32.011 1.00 37.59 ? 1378 LYS B CG 1 ATOM 2590 C CD . LYS B 2 147 ? -14.162 -15.441 31.320 1.00 39.64 ? 1378 LYS B CD 1 ATOM 2591 C CE . LYS B 2 147 ? -15.059 -16.659 31.158 1.00 42.47 ? 1378 LYS B CE 1 ATOM 2592 N NZ . LYS B 2 147 ? -14.394 -17.707 30.336 1.00 41.79 ? 1378 LYS B NZ 1 ATOM 2593 N N . GLU B 2 148 ? -13.092 -10.024 32.289 1.00 36.20 ? 1379 GLU B N 1 ATOM 2594 C CA . GLU B 2 148 ? -12.139 -9.017 32.760 1.00 39.42 ? 1379 GLU B CA 1 ATOM 2595 C C . GLU B 2 148 ? -12.850 -7.985 33.632 1.00 31.45 ? 1379 GLU B C 1 ATOM 2596 O O . GLU B 2 148 ? -12.316 -7.571 34.660 1.00 35.24 ? 1379 GLU B O 1 ATOM 2597 C CB . GLU B 2 148 ? -11.435 -8.313 31.592 1.00 43.53 ? 1379 GLU B CB 1 ATOM 2598 C CG . GLU B 2 148 ? -10.328 -9.111 30.918 1.00 47.92 ? 1379 GLU B CG 1 ATOM 2599 C CD . GLU B 2 148 ? -8.998 -8.999 31.652 1.00 68.72 ? 1379 GLU B CD 1 ATOM 2600 O OE1 . GLU B 2 148 ? -8.521 -7.863 31.871 1.00 69.65 ? 1379 GLU B OE1 1 ATOM 2601 O OE2 . GLU B 2 148 ? -8.429 -10.051 32.008 1.00 74.43 ? 1379 GLU B OE2 1 ATOM 2602 N N . LEU B 2 149 ? -14.050 -7.566 33.228 1.00 30.59 ? 1380 LEU B N 1 ATOM 2603 C CA . LEU B 2 149 ? -14.776 -6.559 34.002 1.00 33.26 ? 1380 LEU B CA 1 ATOM 2604 C C . LEU B 2 149 ? -15.167 -7.107 35.373 1.00 33.36 ? 1380 LEU B C 1 ATOM 2605 O O . LEU B 2 149 ? -15.220 -6.363 36.356 1.00 35.09 ? 1380 LEU B O 1 ATOM 2606 C CB . LEU B 2 149 ? -16.023 -6.067 33.244 1.00 35.38 ? 1380 LEU B CB 1 ATOM 2607 C CG . LEU B 2 149 ? -15.777 -5.074 32.101 1.00 29.82 ? 1380 LEU B CG 1 ATOM 2608 C CD1 . LEU B 2 149 ? -17.009 -4.933 31.187 1.00 28.71 ? 1380 LEU B CD1 1 ATOM 2609 C CD2 . LEU B 2 149 ? -15.363 -3.716 32.658 1.00 31.33 ? 1380 LEU B CD2 1 ATOM 2610 N N . LEU B 2 150 ? -15.418 -8.409 35.455 1.00 35.25 ? 1381 LEU B N 1 ATOM 2611 C CA . LEU B 2 150 ? -15.768 -9.020 36.732 1.00 44.37 ? 1381 LEU B CA 1 ATOM 2612 C C . LEU B 2 150 ? -14.619 -8.967 37.745 1.00 47.14 ? 1381 LEU B C 1 ATOM 2613 O O . LEU B 2 150 ? -14.856 -8.995 38.955 1.00 46.61 ? 1381 LEU B O 1 ATOM 2614 C CB . LEU B 2 150 ? -16.221 -10.462 36.514 1.00 47.63 ? 1381 LEU B CB 1 ATOM 2615 C CG . LEU B 2 150 ? -17.639 -10.562 35.954 1.00 48.76 ? 1381 LEU B CG 1 ATOM 2616 C CD1 . LEU B 2 150 ? -17.933 -11.966 35.457 1.00 61.79 ? 1381 LEU B CD1 1 ATOM 2617 C CD2 . LEU B 2 150 ? -18.653 -10.133 37.004 1.00 43.48 ? 1381 LEU B CD2 1 ATOM 2618 N N . THR B 2 151 ? -13.381 -8.866 37.265 1.00 44.08 ? 1382 THR B N 1 ATOM 2619 C CA . THR B 2 151 ? -12.229 -8.810 38.179 1.00 43.82 ? 1382 THR B CA 1 ATOM 2620 C C . THR B 2 151 ? -12.021 -7.428 38.805 1.00 40.87 ? 1382 THR B C 1 ATOM 2621 O O . THR B 2 151 ? -11.216 -7.279 39.728 1.00 48.14 ? 1382 THR B O 1 ATOM 2622 C CB . THR B 2 151 ? -10.902 -9.204 37.484 1.00 40.22 ? 1382 THR B CB 1 ATOM 2623 O OG1 . THR B 2 151 ? -10.520 -8.196 36.540 1.00 44.43 ? 1382 THR B OG1 1 ATOM 2624 C CG2 . THR B 2 151 ? -11.016 -10.542 36.785 1.00 38.15 ? 1382 THR B CG2 1 ATOM 2625 N N . CYS B 2 152 ? -12.729 -6.414 38.313 1.00 38.85 ? 1383 CYS B N 1 ATOM 2626 C CA . CYS B 2 152 ? -12.502 -5.057 38.802 1.00 40.20 ? 1383 CYS B CA 1 ATOM 2627 C C . CYS B 2 152 ? -13.772 -4.219 38.968 1.00 49.57 ? 1383 CYS B C 1 ATOM 2628 O O . CYS B 2 152 ? -13.697 -2.990 39.066 1.00 49.22 ? 1383 CYS B O 1 ATOM 2629 C CB . CYS B 2 152 ? -11.533 -4.328 37.872 1.00 39.30 ? 1383 CYS B CB 1 ATOM 2630 S SG . CYS B 2 152 ? -12.106 -4.248 36.152 1.00 40.82 ? 1383 CYS B SG 1 ATOM 2631 N N . CYS B 2 153 ? -14.933 -4.868 39.006 1.00 51.59 ? 1384 CYS B N 1 ATOM 2632 C CA . CYS B 2 153 ? -16.178 -4.154 39.294 1.00 48.43 ? 1384 CYS B CA 1 ATOM 2633 C C . CYS B 2 153 ? -16.789 -4.661 40.599 1.00 60.86 ? 1384 CYS B C 1 ATOM 2634 O O . CYS B 2 153 ? -17.081 -5.849 40.734 1.00 67.06 ? 1384 CYS B O 1 ATOM 2635 C CB . CYS B 2 153 ? -17.189 -4.298 38.144 1.00 49.24 ? 1384 CYS B CB 1 ATOM 2636 S SG . CYS B 2 153 ? -16.741 -3.463 36.572 1.00 45.31 ? 1384 CYS B SG 1 ATOM 2637 N N . GLU B 2 154 ? -16.961 -3.759 41.562 1.00 69.52 ? 1385 GLU B N 1 ATOM 2638 C CA . GLU B 2 154 ? -17.645 -4.088 42.812 1.00 80.37 ? 1385 GLU B CA 1 ATOM 2639 C C . GLU B 2 154 ? -19.145 -4.110 42.558 1.00 88.36 ? 1385 GLU B C 1 ATOM 2640 O O . GLU B 2 154 ? -19.786 -5.163 42.607 1.00 88.65 ? 1385 GLU B O 1 ATOM 2641 C CB . GLU B 2 154 ? -17.301 -3.081 43.910 1.00 79.28 ? 1385 GLU B CB 1 ATOM 2642 N N . GLU B 2 155 ? -19.697 -2.931 42.290 1.00 90.70 ? 1386 GLU B N 1 ATOM 2643 C CA . GLU B 2 155 ? -21.036 -2.816 41.730 1.00 94.29 ? 1386 GLU B CA 1 ATOM 2644 C C . GLU B 2 155 ? -20.897 -2.571 40.229 1.00 97.15 ? 1386 GLU B C 1 ATOM 2645 O O . GLU B 2 155 ? -19.997 -1.847 39.797 1.00 95.46 ? 1386 GLU B O 1 ATOM 2646 C CB . GLU B 2 155 ? -21.823 -1.685 42.398 1.00 92.88 ? 1386 GLU B CB 1 ATOM 2647 N N . GLY B 2 156 ? -21.748 -3.206 39.429 1.00 98.65 ? 1387 GLY B N 1 ATOM 2648 C CA . GLY B 2 156 ? -22.681 -4.208 39.908 1.00 94.15 ? 1387 GLY B CA 1 ATOM 2649 C C . GLY B 2 156 ? -22.377 -5.521 39.214 1.00 86.14 ? 1387 GLY B C 1 ATOM 2650 O O . GLY B 2 156 ? -22.600 -5.666 38.006 1.00 80.65 ? 1387 GLY B O 1 ATOM 2651 N N . LYS B 2 157 ? -21.848 -6.475 39.974 1.00 83.54 ? 1388 LYS B N 1 ATOM 2652 C CA . LYS B 2 157 ? -21.451 -7.763 39.417 1.00 74.91 ? 1388 LYS B CA 1 ATOM 2653 C C . LYS B 2 157 ? -22.643 -8.509 38.808 1.00 72.98 ? 1388 LYS B C 1 ATOM 2654 O O . LYS B 2 157 ? -22.490 -9.251 37.834 1.00 60.38 ? 1388 LYS B O 1 ATOM 2655 C CB . LYS B 2 157 ? -20.778 -8.622 40.491 1.00 66.51 ? 1388 LYS B CB 1 ATOM 2656 N N . GLY B 2 158 ? -23.826 -8.300 39.381 1.00 75.76 ? 1389 GLY B N 1 ATOM 2657 C CA . GLY B 2 158 ? -25.041 -8.936 38.900 1.00 74.27 ? 1389 GLY B CA 1 ATOM 2658 C C . GLY B 2 158 ? -25.309 -8.725 37.419 1.00 67.73 ? 1389 GLY B C 1 ATOM 2659 O O . GLY B 2 158 ? -25.595 -9.681 36.693 1.00 65.53 ? 1389 GLY B O 1 ATOM 2660 N N . GLU B 2 159 ? -25.219 -7.474 36.971 1.00 59.07 ? 1390 GLU B N 1 ATOM 2661 C CA . GLU B 2 159 ? -25.458 -7.137 35.569 1.00 53.68 ? 1390 GLU B CA 1 ATOM 2662 C C . GLU B 2 159 ? -24.463 -7.851 34.653 1.00 57.09 ? 1390 GLU B C 1 ATOM 2663 O O . GLU B 2 159 ? -24.834 -8.374 33.595 1.00 51.65 ? 1390 GLU B O 1 ATOM 2664 C CB . GLU B 2 159 ? -25.369 -5.622 35.360 1.00 50.67 ? 1390 GLU B CB 1 ATOM 2665 C CG . GLU B 2 159 ? -26.516 -4.827 35.959 1.00 65.55 ? 1390 GLU B CG 1 ATOM 2666 C CD . GLU B 2 159 ? -27.791 -4.908 35.127 1.00 77.51 ? 1390 GLU B CD 1 ATOM 2667 O OE1 . GLU B 2 159 ? -27.977 -5.906 34.398 1.00 74.72 ? 1390 GLU B OE1 1 ATOM 2668 O OE2 . GLU B 2 159 ? -28.608 -3.966 35.202 1.00 86.03 ? 1390 GLU B OE2 1 ATOM 2669 N N . LEU B 2 160 ? -23.200 -7.873 35.070 1.00 50.27 ? 1391 LEU B N 1 ATOM 2670 C CA . LEU B 2 160 ? -22.147 -8.493 34.275 1.00 41.26 ? 1391 LEU B CA 1 ATOM 2671 C C . LEU B 2 160 ? -22.346 -10.007 34.170 1.00 42.74 ? 1391 LEU B C 1 ATOM 2672 O O . LEU B 2 160 ? -22.201 -10.575 33.080 1.00 43.20 ? 1391 LEU B O 1 ATOM 2673 C CB . LEU B 2 160 ? -20.769 -8.169 34.862 1.00 40.27 ? 1391 LEU B CB 1 ATOM 2674 C CG . LEU B 2 160 ? -20.331 -6.702 34.743 1.00 42.01 ? 1391 LEU B CG 1 ATOM 2675 C CD1 . LEU B 2 160 ? -19.118 -6.397 35.625 1.00 39.36 ? 1391 LEU B CD1 1 ATOM 2676 C CD2 . LEU B 2 160 ? -20.053 -6.337 33.283 1.00 35.61 ? 1391 LEU B CD2 1 ATOM 2677 N N . LYS B 2 161 ? -22.694 -10.644 35.289 1.00 42.14 ? 1392 LYS B N 1 ATOM 2678 C CA . LYS B 2 161 ? -22.916 -12.093 35.331 1.00 42.22 ? 1392 LYS B CA 1 ATOM 2679 C C . LYS B 2 161 ? -23.968 -12.570 34.331 1.00 43.10 ? 1392 LYS B C 1 ATOM 2680 O O . LYS B 2 161 ? -23.737 -13.528 33.596 1.00 42.92 ? 1392 LYS B O 1 ATOM 2681 C CB . LYS B 2 161 ? -23.323 -12.536 36.743 1.00 45.45 ? 1392 LYS B CB 1 ATOM 2682 N N . ASP B 2 162 ? -25.119 -11.904 34.305 1.00 50.17 ? 1393 ASP B N 1 ATOM 2683 C CA . ASP B 2 162 ? -26.179 -12.250 33.361 1.00 42.91 ? 1393 ASP B CA 1 ATOM 2684 C C . ASP B 2 162 ? -25.718 -12.092 31.905 1.00 42.22 ? 1393 ASP B C 1 ATOM 2685 O O . ASP B 2 162 ? -26.013 -12.942 31.063 1.00 43.55 ? 1393 ASP B O 1 ATOM 2686 C CB . ASP B 2 162 ? -27.426 -11.398 33.620 1.00 47.30 ? 1393 ASP B CB 1 ATOM 2687 C CG . ASP B 2 162 ? -28.043 -11.661 34.994 1.00 59.48 ? 1393 ASP B CG 1 ATOM 2688 O OD1 . ASP B 2 162 ? -27.833 -12.767 35.540 1.00 55.11 ? 1393 ASP B OD1 1 ATOM 2689 O OD2 . ASP B 2 162 ? -28.748 -10.772 35.529 1.00 59.51 ? 1393 ASP B OD2 1 ATOM 2690 N N . GLY B 2 163 ? -24.989 -11.013 31.611 1.00 36.84 ? 1394 GLY B N 1 ATOM 2691 C CA . GLY B 2 163 ? -24.447 -10.801 30.278 1.00 35.56 ? 1394 GLY B CA 1 ATOM 2692 C C . GLY B 2 163 ? -23.437 -11.874 29.895 1.00 38.10 ? 1394 GLY B C 1 ATOM 2693 O O . GLY B 2 163 ? -23.454 -12.393 28.775 1.00 36.72 ? 1394 GLY B O 1 ATOM 2694 N N . LEU B 2 164 ? -22.552 -12.206 30.830 1.00 34.85 ? 1395 LEU B N 1 ATOM 2695 C CA . LEU B 2 164 ? -21.556 -13.250 30.594 1.00 36.91 ? 1395 LEU B CA 1 ATOM 2696 C C . LEU B 2 164 ? -22.228 -14.601 30.278 1.00 39.75 ? 1395 LEU B C 1 ATOM 2697 O O . LEU B 2 164 ? -21.802 -15.316 29.368 1.00 41.02 ? 1395 LEU B O 1 ATOM 2698 C CB . LEU B 2 164 ? -20.630 -13.383 31.805 1.00 37.57 ? 1395 LEU B CB 1 ATOM 2699 C CG . LEU B 2 164 ? -19.588 -14.499 31.703 1.00 37.81 ? 1395 LEU B CG 1 ATOM 2700 C CD1 . LEU B 2 164 ? -18.809 -14.368 30.407 1.00 32.62 ? 1395 LEU B CD1 1 ATOM 2701 C CD2 . LEU B 2 164 ? -18.645 -14.497 32.912 1.00 40.69 ? 1395 LEU B CD2 1 ATOM 2702 N N . GLU B 2 165 ? -23.273 -14.930 31.031 1.00 39.68 ? 1396 GLU B N 1 ATOM 2703 C CA . GLU B 2 165 ? -24.038 -16.164 30.835 1.00 42.49 ? 1396 GLU B CA 1 ATOM 2704 C C . GLU B 2 165 ? -24.571 -16.253 29.402 1.00 40.77 ? 1396 GLU B C 1 ATOM 2705 O O . GLU B 2 165 ? -24.515 -17.304 28.752 1.00 40.35 ? 1396 GLU B O 1 ATOM 2706 C CB . GLU B 2 165 ? -25.187 -16.230 31.848 1.00 57.65 ? 1396 GLU B CB 1 ATOM 2707 C CG . GLU B 2 165 ? -25.961 -17.534 31.866 1.00 73.85 ? 1396 GLU B CG 1 ATOM 2708 C CD . GLU B 2 165 ? -26.838 -17.673 33.103 1.00 91.67 ? 1396 GLU B CD 1 ATOM 2709 O OE1 . GLU B 2 165 ? -26.732 -16.823 34.016 1.00 93.11 ? 1396 GLU B OE1 1 ATOM 2710 O OE2 . GLU B 2 165 ? -27.633 -18.635 33.165 1.00 100.29 ? 1396 GLU B OE2 1 ATOM 2711 N N . VAL B 2 166 ? -25.065 -15.130 28.900 1.00 41.73 ? 1397 VAL B N 1 ATOM 2712 C CA . VAL B 2 166 ? -25.526 -15.055 27.518 1.00 46.42 ? 1397 VAL B CA 1 ATOM 2713 C C . VAL B 2 166 ? -24.379 -15.319 26.539 1.00 42.67 ? 1397 VAL B C 1 ATOM 2714 O O . VAL B 2 166 ? -24.533 -16.094 25.578 1.00 37.88 ? 1397 VAL B O 1 ATOM 2715 C CB . VAL B 2 166 ? -26.166 -13.677 27.215 1.00 38.85 ? 1397 VAL B CB 1 ATOM 2716 C CG1 . VAL B 2 166 ? -26.537 -13.564 25.752 1.00 39.80 ? 1397 VAL B CG1 1 ATOM 2717 C CG2 . VAL B 2 166 ? -27.393 -13.450 28.101 1.00 39.89 ? 1397 VAL B CG2 1 ATOM 2718 N N . MET B 2 167 ? -23.227 -14.695 26.789 1.00 34.23 ? 1398 MET B N 1 ATOM 2719 C CA . MET B 2 167 ? -22.130 -14.735 25.823 1.00 34.00 ? 1398 MET B CA 1 ATOM 2720 C C . MET B 2 167 ? -21.232 -15.973 25.993 1.00 35.24 ? 1398 MET B C 1 ATOM 2721 O O . MET B 2 167 ? -20.252 -16.149 25.261 1.00 36.03 ? 1398 MET B O 1 ATOM 2722 C CB . MET B 2 167 ? -21.306 -13.440 25.895 1.00 26.61 ? 1398 MET B CB 1 ATOM 2723 C CG . MET B 2 167 ? -22.123 -12.187 25.476 1.00 28.93 ? 1398 MET B CG 1 ATOM 2724 S SD . MET B 2 167 ? -23.157 -12.417 23.996 1.00 35.22 ? 1398 MET B SD 1 ATOM 2725 C CE . MET B 2 167 ? -21.883 -12.336 22.721 1.00 32.62 ? 1398 MET B CE 1 ATOM 2726 N N . LEU B 2 168 ? -21.593 -16.836 26.943 1.00 34.27 ? 1399 LEU B N 1 ATOM 2727 C CA . LEU B 2 168 ? -21.062 -18.197 26.988 1.00 39.34 ? 1399 LEU B CA 1 ATOM 2728 C C . LEU B 2 168 ? -22.013 -19.165 26.270 1.00 42.65 ? 1399 LEU B C 1 ATOM 2729 O O . LEU B 2 168 ? -21.573 -20.120 25.635 1.00 47.15 ? 1399 LEU B O 1 ATOM 2730 C CB . LEU B 2 168 ? -20.838 -18.652 28.433 1.00 42.27 ? 1399 LEU B CB 1 ATOM 2731 C CG . LEU B 2 168 ? -19.731 -17.923 29.198 1.00 42.07 ? 1399 LEU B CG 1 ATOM 2732 C CD1 . LEU B 2 168 ? -19.680 -18.411 30.629 1.00 50.09 ? 1399 LEU B CD1 1 ATOM 2733 C CD2 . LEU B 2 168 ? -18.392 -18.117 28.517 1.00 38.60 ? 1399 LEU B CD2 1 ATOM 2734 N N . SER B 2 169 ? -23.316 -18.912 26.368 1.00 37.09 ? 1400 SER B N 1 ATOM 2735 C CA . SER B 2 169 ? -24.318 -19.787 25.746 1.00 40.02 ? 1400 SER B CA 1 ATOM 2736 C C . SER B 2 169 ? -24.294 -19.718 24.217 1.00 47.24 ? 1400 SER B C 1 ATOM 2737 O O . SER B 2 169 ? -24.459 -20.736 23.540 1.00 42.01 ? 1400 SER B O 1 ATOM 2738 C CB . SER B 2 169 ? -25.721 -19.438 26.238 1.00 45.99 ? 1400 SER B CB 1 ATOM 2739 O OG . SER B 2 169 ? -25.825 -19.616 27.636 1.00 63.21 ? 1400 SER B OG 1 ATOM 2740 N N . VAL B 2 170 ? -24.099 -18.516 23.681 1.00 42.29 ? 1401 VAL B N 1 ATOM 2741 C CA . VAL B 2 170 ? -24.145 -18.304 22.235 1.00 37.64 ? 1401 VAL B CA 1 ATOM 2742 C C . VAL B 2 170 ? -23.034 -19.065 21.494 1.00 38.62 ? 1401 VAL B C 1 ATOM 2743 O O . VAL B 2 170 ? -23.313 -19.803 20.543 1.00 37.02 ? 1401 VAL B O 1 ATOM 2744 C CB . VAL B 2 170 ? -24.053 -16.807 21.885 1.00 43.03 ? 1401 VAL B CB 1 ATOM 2745 C CG1 . VAL B 2 170 ? -23.738 -16.624 20.403 1.00 43.51 ? 1401 VAL B CG1 1 ATOM 2746 C CG2 . VAL B 2 170 ? -25.344 -16.096 22.249 1.00 40.56 ? 1401 VAL B CG2 1 ATOM 2747 N N . PRO B 2 171 ? -21.771 -18.880 21.907 1.00 40.06 ? 1402 PRO B N 1 ATOM 2748 C CA . PRO B 2 171 ? -20.725 -19.667 21.244 1.00 36.34 ? 1402 PRO B CA 1 ATOM 2749 C C . PRO B 2 171 ? -20.814 -21.165 21.558 1.00 39.03 ? 1402 PRO B C 1 ATOM 2750 O O . PRO B 2 171 ? -20.417 -21.981 20.722 1.00 42.33 ? 1402 PRO B O 1 ATOM 2751 C CB . PRO B 2 171 ? -19.422 -19.065 21.792 1.00 37.28 ? 1402 PRO B CB 1 ATOM 2752 C CG . PRO B 2 171 ? -19.809 -18.446 23.100 1.00 36.04 ? 1402 PRO B CG 1 ATOM 2753 C CD . PRO B 2 171 ? -21.213 -17.918 22.874 1.00 40.98 ? 1402 PRO B CD 1 ATOM 2754 N N . LYS B 2 172 ? -21.334 -21.531 22.728 1.00 37.56 ? 1403 LYS B N 1 ATOM 2755 C CA . LYS B 2 172 ? -21.542 -22.950 23.025 1.00 37.03 ? 1403 LYS B CA 1 ATOM 2756 C C . LYS B 2 172 ? -22.589 -23.562 22.091 1.00 41.60 ? 1403 LYS B C 1 ATOM 2757 O O . LYS B 2 172 ? -22.411 -24.678 21.594 1.00 44.18 ? 1403 LYS B O 1 ATOM 2758 C CB . LYS B 2 172 ? -21.957 -23.157 24.482 1.00 37.63 ? 1403 LYS B CB 1 ATOM 2759 C CG . LYS B 2 172 ? -21.964 -24.621 24.899 1.00 47.31 ? 1403 LYS B CG 1 ATOM 2760 C CD . LYS B 2 172 ? -22.408 -24.789 26.336 1.00 57.11 ? 1403 LYS B CD 1 ATOM 2761 C CE . LYS B 2 172 ? -22.084 -26.186 26.836 1.00 69.95 ? 1403 LYS B CE 1 ATOM 2762 N NZ . LYS B 2 172 ? -22.372 -27.204 25.798 1.00 71.71 ? 1403 LYS B NZ 1 ATOM 2763 N N . LYS B 2 173 ? -23.678 -22.833 21.854 1.00 40.08 ? 1404 LYS B N 1 ATOM 2764 C CA . LYS B 2 173 ? -24.729 -23.314 20.959 1.00 42.39 ? 1404 LYS B CA 1 ATOM 2765 C C . LYS B 2 173 ? -24.219 -23.410 19.524 1.00 41.34 ? 1404 LYS B C 1 ATOM 2766 O O . LYS B 2 173 ? -24.537 -24.372 18.810 1.00 43.59 ? 1404 LYS B O 1 ATOM 2767 C CB . LYS B 2 173 ? -25.968 -22.409 21.023 1.00 46.99 ? 1404 LYS B CB 1 ATOM 2768 C CG . LYS B 2 173 ? -27.097 -22.854 20.089 1.00 53.06 ? 1404 LYS B CG 1 ATOM 2769 C CD . LYS B 2 173 ? -28.377 -22.039 20.286 1.00 53.57 ? 1404 LYS B CD 1 ATOM 2770 C CE . LYS B 2 173 ? -29.535 -22.622 19.467 1.00 61.36 ? 1404 LYS B CE 1 ATOM 2771 N NZ . LYS B 2 173 ? -30.868 -22.087 19.884 1.00 58.34 ? 1404 LYS B NZ 1 ATOM 2772 N N . ALA B 2 174 ? -23.432 -22.415 19.109 1.00 42.05 ? 1405 ALA B N 1 ATOM 2773 C CA . ALA B 2 174 ? -22.786 -22.422 17.793 1.00 35.77 ? 1405 ALA B CA 1 ATOM 2774 C C . ALA B 2 174 ? -21.827 -23.611 17.660 1.00 42.81 ? 1405 ALA B C 1 ATOM 2775 O O . ALA B 2 174 ? -21.818 -24.292 16.630 1.00 43.13 ? 1405 ALA B O 1 ATOM 2776 C CB . ALA B 2 174 ? -22.047 -21.127 17.556 1.00 32.52 ? 1405 ALA B CB 1 ATOM 2777 N N . ASN B 2 175 ? -21.029 -23.858 18.702 1.00 39.54 ? 1406 ASN B N 1 ATOM 2778 C CA . ASN B 2 175 ? -20.127 -25.006 18.731 1.00 36.37 ? 1406 ASN B CA 1 ATOM 2779 C C . ASN B 2 175 ? -20.894 -26.315 18.570 1.00 42.39 ? 1406 ASN B C 1 ATOM 2780 O O . ASN B 2 175 ? -20.517 -27.189 17.781 1.00 48.01 ? 1406 ASN B O 1 ATOM 2781 C CB . ASN B 2 175 ? -19.321 -25.025 20.043 1.00 36.87 ? 1406 ASN B CB 1 ATOM 2782 C CG . ASN B 2 175 ? -18.254 -26.116 20.078 1.00 45.75 ? 1406 ASN B CG 1 ATOM 2783 O OD1 . ASN B 2 175 ? -17.142 -25.927 19.586 1.00 42.94 ? 1406 ASN B OD1 1 ATOM 2784 N ND2 . ASN B 2 175 ? -18.578 -27.250 20.704 1.00 48.82 ? 1406 ASN B ND2 1 ATOM 2785 N N . ASP B 2 176 ? -21.980 -26.447 19.322 1.00 50.07 ? 1407 ASP B N 1 ATOM 2786 C CA . ASP B 2 176 ? -22.719 -27.704 19.363 1.00 54.80 ? 1407 ASP B CA 1 ATOM 2787 C C . ASP B 2 176 ? -23.507 -27.941 18.081 1.00 54.16 ? 1407 ASP B C 1 ATOM 2788 O O . ASP B 2 176 ? -23.991 -29.049 17.847 1.00 62.64 ? 1407 ASP B O 1 ATOM 2789 C CB . ASP B 2 176 ? -23.647 -27.732 20.580 1.00 54.10 ? 1407 ASP B CB 1 ATOM 2790 C CG . ASP B 2 176 ? -22.881 -27.673 21.899 1.00 64.65 ? 1407 ASP B CG 1 ATOM 2791 O OD1 . ASP B 2 176 ? -21.665 -27.978 21.906 1.00 52.28 ? 1407 ASP B OD1 1 ATOM 2792 O OD2 . ASP B 2 176 ? -23.496 -27.321 22.929 1.00 76.70 ? 1407 ASP B OD2 1 ATOM 2793 N N . ALA B 2 177 ? -23.622 -26.906 17.249 1.00 48.97 ? 1408 ALA B N 1 ATOM 2794 C CA . ALA B 2 177 ? -24.326 -27.023 15.972 1.00 48.37 ? 1408 ALA B CA 1 ATOM 2795 C C . ALA B 2 177 ? -23.418 -27.490 14.825 1.00 45.90 ? 1408 ALA B C 1 ATOM 2796 O O . ALA B 2 177 ? -23.912 -27.816 13.742 1.00 50.44 ? 1408 ALA B O 1 ATOM 2797 C CB . ALA B 2 177 ? -24.995 -25.686 15.607 1.00 45.48 ? 1408 ALA B CB 1 ATOM 2798 N N . MET B 2 178 ? -22.109 -27.529 15.060 1.00 46.73 ? 1409 MET B N 1 ATOM 2799 C CA . MET B 2 178 ? -21.155 -27.988 14.051 1.00 48.54 ? 1409 MET B CA 1 ATOM 2800 C C . MET B 2 178 ? -21.257 -29.512 13.842 1.00 55.19 ? 1409 MET B C 1 ATOM 2801 O O . MET B 2 178 ? -21.420 -30.268 14.800 1.00 55.89 ? 1409 MET B O 1 ATOM 2802 C CB . MET B 2 178 ? -19.721 -27.606 14.447 1.00 45.70 ? 1409 MET B CB 1 ATOM 2803 C CG . MET B 2 178 ? -19.496 -26.108 14.768 1.00 45.93 ? 1409 MET B CG 1 ATOM 2804 S SD . MET B 2 178 ? -19.851 -24.956 13.405 1.00 47.97 ? 1409 MET B SD 1 ATOM 2805 C CE . MET B 2 178 ? -18.642 -25.481 12.183 1.00 59.99 ? 1409 MET B CE 1 ATOM 2806 N N . HIS B 2 179 ? -21.161 -29.960 12.594 1.00 61.03 ? 1410 HIS B N 1 ATOM 2807 C CA . HIS B 2 179 ? -21.262 -31.393 12.297 1.00 70.67 ? 1410 HIS B CA 1 ATOM 2808 C C . HIS B 2 179 ? -19.947 -32.119 12.567 1.00 73.92 ? 1410 HIS B C 1 ATOM 2809 O O . HIS B 2 179 ? -18.960 -31.506 12.970 1.00 75.29 ? 1410 HIS B O 1 ATOM 2810 C CB . HIS B 2 179 ? -21.689 -31.618 10.844 1.00 76.60 ? 1410 HIS B CB 1 HETATM 2811 C C1 . EDO C 3 . ? 15.127 -27.378 18.875 0.73 30.79 ? 201 EDO A C1 1 HETATM 2812 O O1 . EDO C 3 . ? 14.347 -28.451 19.405 0.73 40.84 ? 201 EDO A O1 1 HETATM 2813 C C2 . EDO C 3 . ? 16.185 -27.003 19.896 0.73 35.84 ? 201 EDO A C2 1 HETATM 2814 O O2 . EDO C 3 . ? 17.148 -26.182 19.226 0.73 49.30 ? 201 EDO A O2 1 HETATM 2815 C C1 . EDO D 3 . ? 18.169 -22.598 35.325 1.00 43.83 ? 202 EDO A C1 1 HETATM 2816 O O1 . EDO D 3 . ? 16.885 -22.096 35.723 1.00 43.52 ? 202 EDO A O1 1 HETATM 2817 C C2 . EDO D 3 . ? 19.284 -21.555 35.440 1.00 52.82 ? 202 EDO A C2 1 HETATM 2818 O O2 . EDO D 3 . ? 19.081 -20.690 36.565 1.00 59.34 ? 202 EDO A O2 1 HETATM 2819 H H11 . EDO D 3 . ? 18.423 -23.459 35.946 1.00 52.60 ? 202 EDO A H11 1 HETATM 2820 H H12 . EDO D 3 . ? 18.111 -22.944 34.291 1.00 52.60 ? 202 EDO A H12 1 HETATM 2821 H HO1 . EDO D 3 . ? 16.223 -22.795 35.630 1.00 52.23 ? 202 EDO A HO1 1 HETATM 2822 H H21 . EDO D 3 . ? 20.246 -22.062 35.543 1.00 63.38 ? 202 EDO A H21 1 HETATM 2823 H H22 . EDO D 3 . ? 19.317 -20.958 34.526 1.00 63.38 ? 202 EDO A H22 1 HETATM 2824 H HO2 . EDO D 3 . ? 19.800 -20.045 36.609 1.00 71.20 ? 202 EDO A HO2 1 HETATM 2825 P PB . GDP E 4 . ? -3.640 -15.755 26.631 0.79 33.84 ? 203 GDP A PB 1 HETATM 2826 O O1B . GDP E 4 . ? -3.772 -14.749 25.508 0.79 29.47 ? 203 GDP A O1B 1 HETATM 2827 O O2B . GDP E 4 . ? -4.920 -15.977 27.402 0.79 38.59 ? 203 GDP A O2B 1 HETATM 2828 O O3B . GDP E 4 . ? -3.022 -17.103 26.267 0.79 25.82 ? 203 GDP A O3B 1 HETATM 2829 O O3A . GDP E 4 . ? -2.598 -15.051 27.671 0.79 32.22 ? 203 GDP A O3A 1 HETATM 2830 P PA . GDP E 4 . ? -2.282 -13.458 27.837 0.79 32.64 ? 203 GDP A PA 1 HETATM 2831 O O1A . GDP E 4 . ? -1.431 -12.937 26.727 0.79 33.89 ? 203 GDP A O1A 1 HETATM 2832 O O2A . GDP E 4 . ? -3.587 -12.751 28.117 0.79 35.79 ? 203 GDP A O2A 1 HETATM 2833 O "O5'" . GDP E 4 . ? -1.393 -13.451 29.211 0.79 28.56 ? 203 GDP A "O5'" 1 HETATM 2834 C "C5'" . GDP E 4 . ? -1.878 -14.098 30.401 0.79 26.21 ? 203 GDP A "C5'" 1 HETATM 2835 C "C4'" . GDP E 4 . ? -1.220 -13.506 31.644 0.79 37.65 ? 203 GDP A "C4'" 1 HETATM 2836 O "O4'" . GDP E 4 . ? 0.157 -13.893 31.701 0.79 32.55 ? 203 GDP A "O4'" 1 HETATM 2837 C "C3'" . GDP E 4 . ? -1.268 -11.980 31.648 0.79 37.80 ? 203 GDP A "C3'" 1 HETATM 2838 O "O3'" . GDP E 4 . ? -1.653 -11.539 32.955 0.79 51.65 ? 203 GDP A "O3'" 1 HETATM 2839 C "C2'" . GDP E 4 . ? 0.160 -11.544 31.404 0.79 32.43 ? 203 GDP A "C2'" 1 HETATM 2840 O "O2'" . GDP E 4 . ? 0.535 -10.459 32.240 0.79 44.28 ? 203 GDP A "O2'" 1 HETATM 2841 C "C1'" . GDP E 4 . ? 0.978 -12.737 31.845 0.79 29.74 ? 203 GDP A "C1'" 1 HETATM 2842 N N9 . GDP E 4 . ? 2.138 -12.896 30.950 0.79 35.14 ? 203 GDP A N9 1 HETATM 2843 C C8 . GDP E 4 . ? 2.085 -13.068 29.619 0.79 23.36 ? 203 GDP A C8 1 HETATM 2844 N N7 . GDP E 4 . ? 3.346 -13.205 29.127 0.79 29.32 ? 203 GDP A N7 1 HETATM 2845 C C5 . GDP E 4 . ? 4.215 -13.113 30.151 0.79 28.32 ? 203 GDP A C5 1 HETATM 2846 C C6 . GDP E 4 . ? 5.687 -13.164 30.327 0.79 28.99 ? 203 GDP A C6 1 HETATM 2847 O O6 . GDP E 4 . ? 6.439 -13.334 29.350 0.79 32.75 ? 203 GDP A O6 1 HETATM 2848 N N1 . GDP E 4 . ? 6.178 -13.024 31.561 0.79 31.01 ? 203 GDP A N1 1 HETATM 2849 C C2 . GDP E 4 . ? 5.390 -12.838 32.643 0.79 27.85 ? 203 GDP A C2 1 HETATM 2850 N N2 . GDP E 4 . ? 5.958 -12.703 33.867 0.79 22.16 ? 203 GDP A N2 1 HETATM 2851 N N3 . GDP E 4 . ? 4.035 -12.779 32.553 0.79 30.29 ? 203 GDP A N3 1 HETATM 2852 C C4 . GDP E 4 . ? 3.411 -12.900 31.356 0.79 28.01 ? 203 GDP A C4 1 HETATM 2853 C C1 . EDO F 3 . ? -7.610 0.055 24.453 1.00 60.13 ? 1501 EDO B C1 1 HETATM 2854 O O1 . EDO F 3 . ? -7.978 0.628 25.716 1.00 56.81 ? 1501 EDO B O1 1 HETATM 2855 C C2 . EDO F 3 . ? -8.131 0.930 23.317 1.00 66.33 ? 1501 EDO B C2 1 HETATM 2856 O O2 . EDO F 3 . ? -7.816 0.308 22.065 1.00 76.89 ? 1501 EDO B O2 1 HETATM 2857 C C1 . EDO G 3 . ? -12.781 -9.727 17.021 1.00 52.28 ? 1502 EDO B C1 1 HETATM 2858 O O1 . EDO G 3 . ? -12.434 -8.478 17.642 1.00 42.37 ? 1502 EDO B O1 1 HETATM 2859 C C2 . EDO G 3 . ? -11.846 -10.047 15.860 1.00 57.81 ? 1502 EDO B C2 1 HETATM 2860 O O2 . EDO G 3 . ? -10.488 -10.074 16.329 1.00 56.54 ? 1502 EDO B O2 1 HETATM 2861 H H11 . EDO G 3 . ? -12.727 -10.528 17.762 1.00 62.74 ? 1502 EDO B H11 1 HETATM 2862 H H12 . EDO G 3 . ? -13.809 -9.677 16.656 1.00 62.74 ? 1502 EDO B H12 1 HETATM 2863 H HO1 . EDO G 3 . ? -13.042 -8.302 18.373 1.00 50.85 ? 1502 EDO B HO1 1 HETATM 2864 H H21 . EDO G 3 . ? -12.108 -11.017 15.431 1.00 69.38 ? 1502 EDO B H21 1 HETATM 2865 H H22 . EDO G 3 . ? -11.952 -9.290 15.080 1.00 69.38 ? 1502 EDO B H22 1 HETATM 2866 H HO2 . EDO G 3 . ? -9.896 -10.277 15.592 1.00 67.84 ? 1502 EDO B HO2 1 HETATM 2867 C C1 . EDO H 3 . ? -31.383 1.037 18.955 1.00 57.66 ? 1503 EDO B C1 1 HETATM 2868 O O1 . EDO H 3 . ? -32.454 1.971 19.165 1.00 65.29 ? 1503 EDO B O1 1 HETATM 2869 C C2 . EDO H 3 . ? -30.287 1.642 18.077 1.00 44.74 ? 1503 EDO B C2 1 HETATM 2870 O O2 . EDO H 3 . ? -29.612 2.730 18.726 1.00 42.27 ? 1503 EDO B O2 1 HETATM 2871 H H11 . EDO H 3 . ? -30.958 0.749 19.919 1.00 69.19 ? 1503 EDO B H11 1 HETATM 2872 H H12 . EDO H 3 . ? -31.775 0.136 18.479 1.00 69.19 ? 1503 EDO B H12 1 HETATM 2873 H HO1 . EDO H 3 . ? -33.132 1.564 19.722 1.00 78.35 ? 1503 EDO B HO1 1 HETATM 2874 H H21 . EDO H 3 . ? -29.561 0.867 17.824 1.00 53.69 ? 1503 EDO B H21 1 HETATM 2875 H H22 . EDO H 3 . ? -30.730 1.999 17.144 1.00 53.69 ? 1503 EDO B H22 1 HETATM 2876 H HO2 . EDO H 3 . ? -28.930 3.082 18.138 1.00 50.72 ? 1503 EDO B HO2 1 HETATM 2877 C C1 . EDO I 3 . ? -8.214 -0.610 39.295 1.00 62.27 ? 1504 EDO B C1 1 HETATM 2878 O O1 . EDO I 3 . ? -9.236 0.120 38.601 1.00 61.57 ? 1504 EDO B O1 1 HETATM 2879 C C2 . EDO I 3 . ? -6.910 -0.535 38.509 1.00 65.43 ? 1504 EDO B C2 1 HETATM 2880 O O2 . EDO I 3 . ? -6.163 0.614 38.924 1.00 74.89 ? 1504 EDO B O2 1 HETATM 2881 H H11 . EDO I 3 . ? -8.070 -0.187 40.292 1.00 74.73 ? 1504 EDO B H11 1 HETATM 2882 H H12 . EDO I 3 . ? -8.517 -1.653 39.408 1.00 74.73 ? 1504 EDO B H12 1 HETATM 2883 H HO1 . EDO I 3 . ? -10.062 0.072 39.100 1.00 73.88 ? 1504 EDO B HO1 1 HETATM 2884 H H21 . EDO I 3 . ? -6.322 -1.439 38.682 1.00 78.51 ? 1504 EDO B H21 1 HETATM 2885 H H22 . EDO I 3 . ? -7.126 -0.468 37.441 1.00 78.51 ? 1504 EDO B H22 1 HETATM 2886 H HO2 . EDO I 3 . ? -5.337 0.659 38.424 1.00 89.86 ? 1504 EDO B HO2 1 HETATM 2887 O O . HOH J 5 . ? 13.702 -30.528 19.798 1.00 50.78 ? 301 HOH A O 1 HETATM 2888 O O . HOH J 5 . ? 4.000 -13.024 -4.729 1.00 67.02 ? 302 HOH A O 1 HETATM 2889 O O . HOH J 5 . ? -9.011 -4.038 16.871 1.00 61.55 ? 303 HOH A O 1 HETATM 2890 O O . HOH J 5 . ? 16.059 -21.603 39.844 1.00 62.28 ? 304 HOH A O 1 HETATM 2891 O O . HOH J 5 . ? -1.383 -34.948 28.020 1.00 94.87 ? 305 HOH A O 1 HETATM 2892 O O . HOH J 5 . ? 8.268 -16.859 48.288 1.00 58.61 ? 306 HOH A O 1 HETATM 2893 O O . HOH J 5 . ? -4.946 -11.008 27.001 1.00 32.64 ? 307 HOH A O 1 HETATM 2894 O O . HOH J 5 . ? 18.020 -24.198 16.177 1.00 65.48 ? 308 HOH A O 1 HETATM 2895 O O . HOH J 5 . ? -2.437 -23.331 33.223 1.00 45.75 ? 309 HOH A O 1 HETATM 2896 O O . HOH J 5 . ? -12.061 -27.642 23.452 1.00 57.79 ? 310 HOH A O 1 HETATM 2897 O O . HOH J 5 . ? 3.309 -24.172 3.292 1.00 60.85 ? 311 HOH A O 1 HETATM 2898 O O . HOH J 5 . ? 13.624 -10.781 21.147 1.00 40.43 ? 312 HOH A O 1 HETATM 2899 O O . HOH J 5 . ? 13.712 -32.738 20.900 1.00 43.17 ? 313 HOH A O 1 HETATM 2900 O O . HOH J 5 . ? -0.866 -36.897 21.941 1.00 44.85 ? 314 HOH A O 1 HETATM 2901 O O . HOH J 5 . ? -4.138 -24.694 31.789 1.00 32.06 ? 315 HOH A O 1 HETATM 2902 O O . HOH J 5 . ? -11.527 -20.618 14.950 1.00 33.85 ? 316 HOH A O 1 HETATM 2903 O O . HOH J 5 . ? -15.151 -27.998 13.249 1.00 47.17 ? 317 HOH A O 1 HETATM 2904 O O . HOH J 5 . ? 4.483 -34.307 14.108 1.00 38.07 ? 318 HOH A O 1 HETATM 2905 O O . HOH J 5 . ? 9.719 -11.522 35.958 1.00 39.86 ? 319 HOH A O 1 HETATM 2906 O O . HOH J 5 . ? 3.154 -35.331 9.840 1.00 51.99 ? 320 HOH A O 1 HETATM 2907 O O . HOH J 5 . ? -8.584 -21.881 16.732 1.00 34.50 ? 321 HOH A O 1 HETATM 2908 O O . HOH J 5 . ? -8.046 -6.876 28.656 1.00 41.54 ? 322 HOH A O 1 HETATM 2909 O O . HOH J 5 . ? -6.876 -23.157 18.468 1.00 37.90 ? 323 HOH A O 1 HETATM 2910 O O . HOH J 5 . ? 14.256 -29.307 12.620 1.00 50.22 ? 324 HOH A O 1 HETATM 2911 O O . HOH J 5 . ? -7.271 -31.158 28.494 1.00 73.82 ? 325 HOH A O 1 HETATM 2912 O O . HOH J 5 . ? -10.853 -29.824 18.109 1.00 43.79 ? 326 HOH A O 1 HETATM 2913 O O . HOH J 5 . ? 15.923 -23.963 22.050 1.00 31.65 ? 327 HOH A O 1 HETATM 2914 O O . HOH J 5 . ? 11.496 -29.191 37.615 1.00 40.38 ? 328 HOH A O 1 HETATM 2915 O O . HOH J 5 . ? 13.705 -22.865 38.957 1.00 36.18 ? 329 HOH A O 1 HETATM 2916 O O . HOH J 5 . ? 11.529 -11.925 13.882 1.00 52.77 ? 330 HOH A O 1 HETATM 2917 O O . HOH J 5 . ? 15.623 -20.839 33.519 1.00 40.30 ? 331 HOH A O 1 HETATM 2918 O O . HOH J 5 . ? 2.639 -20.774 38.272 1.00 36.47 ? 332 HOH A O 1 HETATM 2919 O O . HOH J 5 . ? 12.616 -30.894 17.641 1.00 54.92 ? 333 HOH A O 1 HETATM 2920 O O . HOH J 5 . ? 4.212 -25.381 5.505 1.00 35.27 ? 334 HOH A O 1 HETATM 2921 O O . HOH J 5 . ? 10.923 -20.319 46.369 1.00 51.23 ? 335 HOH A O 1 HETATM 2922 O O . HOH J 5 . ? -7.220 -25.562 27.254 1.00 44.01 ? 336 HOH A O 1 HETATM 2923 O O . HOH J 5 . ? 12.745 -23.715 12.220 1.00 40.63 ? 337 HOH A O 1 HETATM 2924 O O . HOH J 5 . ? 10.211 -38.026 23.802 1.00 37.06 ? 338 HOH A O 1 HETATM 2925 O O . HOH J 5 . ? -8.314 -21.285 21.931 1.00 47.79 ? 339 HOH A O 1 HETATM 2926 O O . HOH J 5 . ? -15.605 -27.925 23.226 1.00 41.00 ? 340 HOH A O 1 HETATM 2927 O O . HOH J 5 . ? -13.165 -20.349 25.585 1.00 39.29 ? 341 HOH A O 1 HETATM 2928 O O . HOH J 5 . ? -7.159 -7.819 10.725 1.00 38.83 ? 342 HOH A O 1 HETATM 2929 O O . HOH J 5 . ? 9.328 -5.666 27.076 1.00 28.48 ? 343 HOH A O 1 HETATM 2930 O O . HOH J 5 . ? 8.297 -25.583 42.919 1.00 31.79 ? 344 HOH A O 1 HETATM 2931 O O . HOH J 5 . ? -9.332 -20.359 8.295 1.00 41.46 ? 345 HOH A O 1 HETATM 2932 O O . HOH J 5 . ? -2.521 -19.624 3.781 1.00 47.95 ? 346 HOH A O 1 HETATM 2933 O O . HOH J 5 . ? 16.226 -21.642 26.565 1.00 42.55 ? 347 HOH A O 1 HETATM 2934 O O . HOH J 5 . ? -5.983 -12.859 15.539 1.00 26.67 ? 348 HOH A O 1 HETATM 2935 O O . HOH J 5 . ? -8.694 -17.485 15.299 1.00 28.29 ? 349 HOH A O 1 HETATM 2936 O O . HOH J 5 . ? 0.082 -5.332 16.847 1.00 51.46 ? 350 HOH A O 1 HETATM 2937 O O . HOH J 5 . ? -0.892 -25.142 26.549 1.00 23.71 ? 351 HOH A O 1 HETATM 2938 O O . HOH J 5 . ? -16.554 -21.855 29.290 1.00 62.06 ? 352 HOH A O 1 HETATM 2939 O O . HOH J 5 . ? -7.450 -20.638 2.420 1.00 50.90 ? 353 HOH A O 1 HETATM 2940 O O . HOH J 5 . ? 15.374 -24.440 35.135 1.00 41.50 ? 354 HOH A O 1 HETATM 2941 O O . HOH J 5 . ? 17.334 -15.922 21.145 1.00 57.87 ? 355 HOH A O 1 HETATM 2942 O O . HOH J 5 . ? 13.520 -18.570 21.614 1.00 29.00 ? 356 HOH A O 1 HETATM 2943 O O . HOH J 5 . ? 9.674 -13.441 43.837 1.00 52.16 ? 357 HOH A O 1 HETATM 2944 O O . HOH J 5 . ? -12.002 -26.728 9.662 1.00 66.13 ? 358 HOH A O 1 HETATM 2945 O O . HOH J 5 . ? 5.893 -30.342 38.348 1.00 45.17 ? 359 HOH A O 1 HETATM 2946 O O . HOH J 5 . ? 3.142 -2.798 23.982 1.00 38.84 ? 360 HOH A O 1 HETATM 2947 O O . HOH J 5 . ? -5.651 -22.178 21.256 1.00 30.81 ? 361 HOH A O 1 HETATM 2948 O O . HOH J 5 . ? 0.634 -13.616 5.019 1.00 45.18 ? 362 HOH A O 1 HETATM 2949 O O . HOH J 5 . ? -7.711 -16.812 26.638 1.00 33.53 ? 363 HOH A O 1 HETATM 2950 O O . HOH J 5 . ? -6.559 -18.851 5.604 1.00 35.70 ? 364 HOH A O 1 HETATM 2951 O O . HOH J 5 . ? -19.285 -21.989 27.070 1.00 55.52 ? 365 HOH A O 1 HETATM 2952 O O . HOH J 5 . ? 16.949 -12.793 22.956 1.00 42.57 ? 366 HOH A O 1 HETATM 2953 O O . HOH J 5 . ? -0.317 -18.601 3.065 1.00 52.23 ? 367 HOH A O 1 HETATM 2954 O O . HOH J 5 . ? -5.603 -14.325 29.664 1.00 47.31 ? 368 HOH A O 1 HETATM 2955 O O . HOH J 5 . ? 8.100 -34.165 31.857 1.00 53.80 ? 369 HOH A O 1 HETATM 2956 O O . HOH J 5 . ? 17.580 -23.432 20.000 1.00 50.93 ? 370 HOH A O 1 HETATM 2957 O O . HOH J 5 . ? 3.873 -14.706 26.705 1.00 34.46 ? 371 HOH A O 1 HETATM 2958 O O . HOH J 5 . ? -4.856 -5.855 17.161 1.00 45.12 ? 372 HOH A O 1 HETATM 2959 O O . HOH J 5 . ? -1.257 -29.963 6.334 1.00 44.87 ? 373 HOH A O 1 HETATM 2960 O O . HOH J 5 . ? -3.366 -30.753 32.040 1.00 40.09 ? 374 HOH A O 1 HETATM 2961 O O . HOH J 5 . ? 8.535 -30.114 36.373 1.00 34.35 ? 375 HOH A O 1 HETATM 2962 O O . HOH J 5 . ? 6.071 -30.690 12.818 1.00 31.49 ? 376 HOH A O 1 HETATM 2963 O O . HOH J 5 . ? 15.124 -29.461 16.785 1.00 56.39 ? 377 HOH A O 1 HETATM 2964 O O . HOH J 5 . ? 17.120 -23.513 12.219 1.00 69.62 ? 378 HOH A O 1 HETATM 2965 O O . HOH J 5 . ? -6.624 -12.537 25.330 1.00 39.92 ? 379 HOH A O 1 HETATM 2966 O O . HOH J 5 . ? 1.322 -19.518 33.949 1.00 24.12 ? 380 HOH A O 1 HETATM 2967 O O . HOH J 5 . ? -3.085 -12.016 8.839 1.00 48.70 ? 381 HOH A O 1 HETATM 2968 O O . HOH J 5 . ? 13.094 -14.300 42.816 1.00 49.35 ? 382 HOH A O 1 HETATM 2969 O O . HOH J 5 . ? -7.591 -23.119 28.678 1.00 35.95 ? 383 HOH A O 1 HETATM 2970 O O . HOH J 5 . ? 1.583 -14.839 34.668 1.00 38.03 ? 384 HOH A O 1 HETATM 2971 O O . HOH J 5 . ? 3.669 -16.345 39.089 1.00 49.43 ? 385 HOH A O 1 HETATM 2972 O O . HOH J 5 . ? 15.274 -13.628 20.303 1.00 35.70 ? 386 HOH A O 1 HETATM 2973 O O . HOH J 5 . ? 10.034 -22.832 47.156 1.00 48.33 ? 387 HOH A O 1 HETATM 2974 O O . HOH J 5 . ? 6.610 -15.658 26.796 1.00 35.56 ? 388 HOH A O 1 HETATM 2975 O O . HOH J 5 . ? -2.656 -6.845 15.377 1.00 47.79 ? 389 HOH A O 1 HETATM 2976 O O . HOH J 5 . ? -8.335 -31.652 21.067 1.00 47.56 ? 390 HOH A O 1 HETATM 2977 O O . HOH J 5 . ? 3.059 -20.387 40.938 1.00 49.91 ? 391 HOH A O 1 HETATM 2978 O O . HOH J 5 . ? 15.260 -21.683 23.637 1.00 31.43 ? 392 HOH A O 1 HETATM 2979 O O . HOH J 5 . ? -10.052 -22.238 28.929 1.00 50.73 ? 393 HOH A O 1 HETATM 2980 O O . HOH J 5 . ? -5.782 -22.457 31.222 1.00 40.19 ? 394 HOH A O 1 HETATM 2981 O O . HOH J 5 . ? -11.575 -18.616 26.987 1.00 38.58 ? 395 HOH A O 1 HETATM 2982 O O . HOH J 5 . ? 11.324 -33.815 17.112 1.00 55.29 ? 396 HOH A O 1 HETATM 2983 O O . HOH J 5 . ? -1.963 -6.015 9.540 1.00 49.39 ? 397 HOH A O 1 HETATM 2984 O O . HOH J 5 . ? 3.607 -40.928 26.561 1.00 77.38 ? 398 HOH A O 1 HETATM 2985 O O . HOH J 5 . ? 13.866 -13.824 30.755 1.00 23.43 ? 399 HOH A O 1 HETATM 2986 O O . HOH J 5 . ? -5.625 -6.338 31.535 1.00 68.53 ? 400 HOH A O 1 HETATM 2987 O O . HOH J 5 . ? -8.507 -11.542 28.841 1.00 52.73 ? 401 HOH A O 1 HETATM 2988 O O . HOH J 5 . ? -4.967 -37.090 23.546 1.00 54.73 ? 402 HOH A O 1 HETATM 2989 O O . HOH J 5 . ? 15.779 -9.562 25.501 1.00 52.35 ? 403 HOH A O 1 HETATM 2990 O O . HOH J 5 . ? -0.078 -26.486 36.709 1.00 36.13 ? 404 HOH A O 1 HETATM 2991 O O . HOH J 5 . ? 4.262 -12.017 36.411 1.00 48.02 ? 405 HOH A O 1 HETATM 2992 O O . HOH J 5 . ? -15.266 -19.731 27.205 1.00 43.10 ? 406 HOH A O 1 HETATM 2993 O O . HOH J 5 . ? 5.647 -31.734 8.947 1.00 49.92 ? 407 HOH A O 1 HETATM 2994 O O . HOH J 5 . ? 7.456 -29.830 44.556 1.00 53.59 ? 408 HOH A O 1 HETATM 2995 O O . HOH J 5 . ? 16.170 -25.678 32.485 1.00 24.85 ? 409 HOH A O 1 HETATM 2996 O O . HOH J 5 . ? -4.010 -14.801 6.523 1.00 50.33 ? 410 HOH A O 1 HETATM 2997 O O . HOH J 5 . ? -10.590 -30.719 22.787 1.00 55.49 ? 411 HOH A O 1 HETATM 2998 O O . HOH J 5 . ? -3.506 -27.116 5.685 1.00 47.46 ? 412 HOH A O 1 HETATM 2999 O O . HOH J 5 . ? -1.683 -16.968 34.666 1.00 56.65 ? 413 HOH A O 1 HETATM 3000 O O . HOH J 5 . ? -1.589 -21.249 32.086 1.00 51.15 ? 414 HOH A O 1 HETATM 3001 O O . HOH J 5 . ? 8.029 -6.893 14.335 1.00 55.88 ? 415 HOH A O 1 HETATM 3002 O O . HOH J 5 . ? 0.944 -22.199 41.435 1.00 51.45 ? 416 HOH A O 1 HETATM 3003 O O . HOH J 5 . ? 5.767 -37.600 15.699 1.00 56.12 ? 417 HOH A O 1 HETATM 3004 O O . HOH J 5 . ? 5.217 -33.555 10.068 1.00 43.35 ? 418 HOH A O 1 HETATM 3005 O O . HOH J 5 . ? 16.163 -17.761 25.380 1.00 51.81 ? 419 HOH A O 1 HETATM 3006 O O . HOH J 5 . ? -13.726 -30.556 14.615 1.00 70.05 ? 420 HOH A O 1 HETATM 3007 O O . HOH J 5 . ? 8.041 -34.830 28.735 1.00 53.90 ? 421 HOH A O 1 HETATM 3008 O O . HOH J 5 . ? 6.492 -39.077 29.904 1.00 57.66 ? 422 HOH A O 1 HETATM 3009 O O . HOH J 5 . ? 18.151 -21.427 31.642 1.00 47.24 ? 423 HOH A O 1 HETATM 3010 O O . HOH J 5 . ? 19.079 -21.200 40.314 1.00 55.13 ? 424 HOH A O 1 HETATM 3011 O O . HOH J 5 . ? -8.356 -33.977 19.418 1.00 54.15 ? 425 HOH A O 1 HETATM 3012 O O . HOH J 5 . ? -7.555 -21.669 -0.031 1.00 61.60 ? 426 HOH A O 1 HETATM 3013 O O . HOH J 5 . ? 9.299 -34.497 36.431 1.00 49.34 ? 427 HOH A O 1 HETATM 3014 O O . HOH J 5 . ? 9.605 -39.796 21.711 1.00 56.06 ? 428 HOH A O 1 HETATM 3015 O O . HOH J 5 . ? -10.466 -28.901 8.986 1.00 56.09 ? 429 HOH A O 1 HETATM 3016 O O . HOH J 5 . ? 1.918 -16.534 36.434 1.00 67.24 ? 430 HOH A O 1 HETATM 3017 O O . HOH J 5 . ? -0.136 -31.798 35.688 1.00 56.40 ? 431 HOH A O 1 HETATM 3018 O O . HOH J 5 . ? -2.241 -37.307 16.443 1.00 63.83 ? 432 HOH A O 1 HETATM 3019 O O . HOH J 5 . ? 8.208 -32.061 43.027 1.00 61.73 ? 433 HOH A O 1 HETATM 3020 O O . HOH J 5 . ? -8.180 -35.721 21.438 1.00 55.13 ? 434 HOH A O 1 HETATM 3021 O O . HOH J 5 . ? 14.499 -13.085 33.611 1.00 41.26 ? 435 HOH A O 1 HETATM 3022 O O . HOH J 5 . ? 7.114 -31.101 10.171 1.00 47.16 ? 436 HOH A O 1 HETATM 3023 O O . HOH J 5 . ? 16.014 -19.432 21.748 1.00 39.35 ? 437 HOH A O 1 HETATM 3024 O O . HOH J 5 . ? 13.505 -33.696 18.330 1.00 43.76 ? 438 HOH A O 1 HETATM 3025 O O . HOH J 5 . ? 3.892 -13.676 38.553 1.00 50.05 ? 439 HOH A O 1 HETATM 3026 O O . HOH J 5 . ? -0.090 -23.497 38.826 1.00 63.94 ? 440 HOH A O 1 HETATM 3027 O O . HOH J 5 . ? -14.571 -32.551 12.963 1.00 70.46 ? 441 HOH A O 1 HETATM 3028 O O . HOH J 5 . ? 2.046 -18.603 37.151 1.00 53.30 ? 442 HOH A O 1 HETATM 3029 O O . HOH J 5 . ? 12.708 -38.200 24.693 1.00 43.39 ? 443 HOH A O 1 HETATM 3030 O O . HOH J 5 . ? 10.420 -26.591 44.366 1.00 46.66 ? 444 HOH A O 1 HETATM 3031 O O . HOH J 5 . ? 17.625 -17.501 22.744 1.00 62.06 ? 445 HOH A O 1 HETATM 3032 O O . HOH J 5 . ? 2.199 -17.930 41.205 1.00 49.94 ? 446 HOH A O 1 HETATM 3033 O O . HOH J 5 . ? 10.055 -29.265 45.121 1.00 44.79 ? 447 HOH A O 1 HETATM 3034 O O . HOH J 5 . ? -2.361 -38.377 20.225 1.00 46.56 ? 448 HOH A O 1 HETATM 3035 O O . HOH J 5 . ? 17.684 -20.602 19.795 1.00 43.95 ? 449 HOH A O 1 HETATM 3036 O O . HOH K 5 . ? -17.754 -4.727 20.873 1.00 115.94 ? 1601 HOH B O 1 HETATM 3037 O O . HOH K 5 . ? -29.211 -16.024 21.775 1.00 60.65 ? 1602 HOH B O 1 HETATM 3038 O O . HOH K 5 . ? -8.168 -23.227 -4.235 1.00 61.57 ? 1603 HOH B O 1 HETATM 3039 O O . HOH K 5 . ? -16.085 -5.515 -5.165 1.00 94.73 ? 1604 HOH B O 1 HETATM 3040 O O . HOH K 5 . ? -8.217 -16.430 1.432 1.00 44.97 ? 1605 HOH B O 1 HETATM 3041 O O . HOH K 5 . ? -27.727 -7.550 32.655 1.00 48.22 ? 1606 HOH B O 1 HETATM 3042 O O . HOH K 5 . ? -8.904 -20.732 -4.168 1.00 51.99 ? 1607 HOH B O 1 HETATM 3043 O O . HOH K 5 . ? -23.252 1.109 38.934 1.00 77.57 ? 1608 HOH B O 1 HETATM 3044 O O . HOH K 5 . ? -8.785 -11.561 17.523 1.00 45.95 ? 1609 HOH B O 1 HETATM 3045 O O . HOH K 5 . ? -25.106 -16.276 35.918 1.00 59.33 ? 1610 HOH B O 1 HETATM 3046 O O . HOH K 5 . ? -17.680 -0.754 39.472 1.00 54.59 ? 1611 HOH B O 1 HETATM 3047 O O . HOH K 5 . ? -24.059 -24.479 4.956 1.00 56.32 ? 1612 HOH B O 1 HETATM 3048 O O . HOH K 5 . ? -7.447 -5.664 4.669 1.00 45.54 ? 1613 HOH B O 1 HETATM 3049 O O . HOH K 5 . ? -22.916 -5.418 33.736 1.00 74.77 ? 1614 HOH B O 1 HETATM 3050 O O . HOH K 5 . ? -13.803 4.681 26.115 1.00 47.71 ? 1615 HOH B O 1 HETATM 3051 O O . HOH K 5 . ? -22.997 0.531 5.361 1.00 53.87 ? 1616 HOH B O 1 HETATM 3052 O O . HOH K 5 . ? -6.834 -4.338 21.381 1.00 41.55 ? 1617 HOH B O 1 HETATM 3053 O O . HOH K 5 . ? -9.025 -10.643 13.491 1.00 28.82 ? 1618 HOH B O 1 HETATM 3054 O O . HOH K 5 . ? -14.734 7.525 31.767 1.00 72.02 ? 1619 HOH B O 1 HETATM 3055 O O . HOH K 5 . ? -30.003 -1.271 24.295 1.00 29.28 ? 1620 HOH B O 1 HETATM 3056 O O . HOH K 5 . ? -32.178 -15.791 22.605 1.00 62.48 ? 1621 HOH B O 1 HETATM 3057 O O . HOH K 5 . ? -22.202 -22.031 -9.809 1.00 44.50 ? 1622 HOH B O 1 HETATM 3058 O O . HOH K 5 . ? -23.625 -5.453 -6.614 1.00 48.12 ? 1623 HOH B O 1 HETATM 3059 O O . HOH K 5 . ? -24.696 0.558 15.631 1.00 31.73 ? 1624 HOH B O 1 HETATM 3060 O O . HOH K 5 . ? -20.883 -26.440 6.723 1.00 50.23 ? 1625 HOH B O 1 HETATM 3061 O O . HOH K 5 . ? -20.191 7.479 24.140 1.00 38.14 ? 1626 HOH B O 1 HETATM 3062 O O . HOH K 5 . ? -14.418 -19.397 4.509 1.00 41.91 ? 1627 HOH B O 1 HETATM 3063 O O . HOH K 5 . ? -33.517 -3.477 27.112 1.00 38.18 ? 1628 HOH B O 1 HETATM 3064 O O . HOH K 5 . ? -18.503 -14.432 23.895 1.00 29.63 ? 1629 HOH B O 1 HETATM 3065 O O . HOH K 5 . ? -25.813 -22.177 8.153 1.00 48.59 ? 1630 HOH B O 1 HETATM 3066 O O . HOH K 5 . ? -25.908 2.499 37.093 1.00 52.47 ? 1631 HOH B O 1 HETATM 3067 O O . HOH K 5 . ? -15.467 3.926 30.818 1.00 47.30 ? 1632 HOH B O 1 HETATM 3068 O O . HOH K 5 . ? -29.288 -2.646 26.802 1.00 27.76 ? 1633 HOH B O 1 HETATM 3069 O O . HOH K 5 . ? -25.967 -17.521 -3.765 1.00 50.15 ? 1634 HOH B O 1 HETATM 3070 O O . HOH K 5 . ? -10.948 -11.719 -9.509 1.00 50.35 ? 1635 HOH B O 1 HETATM 3071 O O . HOH K 5 . ? -12.878 -22.327 7.923 1.00 38.69 ? 1636 HOH B O 1 HETATM 3072 O O . HOH K 5 . ? -21.482 7.356 34.731 1.00 43.61 ? 1637 HOH B O 1 HETATM 3073 O O . HOH K 5 . ? -23.721 -4.943 0.818 1.00 51.79 ? 1638 HOH B O 1 HETATM 3074 O O . HOH K 5 . ? -26.934 2.550 10.236 1.00 51.75 ? 1639 HOH B O 1 HETATM 3075 O O . HOH K 5 . ? -22.415 6.191 29.044 1.00 34.46 ? 1640 HOH B O 1 HETATM 3076 O O . HOH K 5 . ? -13.684 3.747 28.965 1.00 43.70 ? 1641 HOH B O 1 HETATM 3077 O O . HOH K 5 . ? -21.688 -27.126 -8.478 1.00 41.18 ? 1642 HOH B O 1 HETATM 3078 O O . HOH K 5 . ? -11.999 -6.175 16.155 1.00 31.20 ? 1643 HOH B O 1 HETATM 3079 O O . HOH K 5 . ? -25.766 -8.929 0.934 1.00 42.83 ? 1644 HOH B O 1 HETATM 3080 O O . HOH K 5 . ? -34.149 -4.303 29.772 1.00 42.56 ? 1645 HOH B O 1 HETATM 3081 O O . HOH K 5 . ? -24.276 -12.316 3.530 1.00 41.76 ? 1646 HOH B O 1 HETATM 3082 O O . HOH K 5 . ? -29.535 -8.047 10.857 1.00 35.86 ? 1647 HOH B O 1 HETATM 3083 O O . HOH K 5 . ? -24.817 5.881 20.589 1.00 33.77 ? 1648 HOH B O 1 HETATM 3084 O O . HOH K 5 . ? -26.333 6.552 28.000 1.00 33.47 ? 1649 HOH B O 1 HETATM 3085 O O . HOH K 5 . ? -10.335 -3.594 6.862 1.00 39.57 ? 1650 HOH B O 1 HETATM 3086 O O . HOH K 5 . ? -22.259 -14.569 -8.377 1.00 56.17 ? 1651 HOH B O 1 HETATM 3087 O O . HOH K 5 . ? -26.715 -26.090 19.250 1.00 57.07 ? 1652 HOH B O 1 HETATM 3088 O O . HOH K 5 . ? -21.365 -2.233 3.585 1.00 45.08 ? 1653 HOH B O 1 HETATM 3089 O O . HOH K 5 . ? -29.844 -16.692 11.544 1.00 49.84 ? 1654 HOH B O 1 HETATM 3090 O O . HOH K 5 . ? -22.423 -1.038 -2.498 1.00 56.41 ? 1655 HOH B O 1 HETATM 3091 O O . HOH K 5 . ? -1.532 -10.628 3.225 1.00 53.57 ? 1656 HOH B O 1 HETATM 3092 O O . HOH K 5 . ? -11.730 -19.371 3.461 1.00 42.62 ? 1657 HOH B O 1 HETATM 3093 O O . HOH K 5 . ? -12.163 -7.141 13.434 1.00 34.02 ? 1658 HOH B O 1 HETATM 3094 O O . HOH K 5 . ? -4.468 -1.310 -5.024 1.00 68.89 ? 1659 HOH B O 1 HETATM 3095 O O . HOH K 5 . ? -11.556 -17.531 30.379 1.00 73.99 ? 1660 HOH B O 1 HETATM 3096 O O . HOH K 5 . ? -7.238 -11.921 21.019 1.00 33.48 ? 1661 HOH B O 1 HETATM 3097 O O . HOH K 5 . ? -25.325 -20.824 3.087 1.00 72.40 ? 1662 HOH B O 1 HETATM 3098 O O . HOH K 5 . ? -11.333 -15.588 19.425 1.00 35.15 ? 1663 HOH B O 1 HETATM 3099 O O . HOH K 5 . ? -23.156 2.857 14.472 1.00 36.79 ? 1664 HOH B O 1 HETATM 3100 O O . HOH K 5 . ? -20.452 -19.034 6.902 1.00 36.82 ? 1665 HOH B O 1 HETATM 3101 O O . HOH K 5 . ? -13.617 -13.104 35.990 1.00 46.31 ? 1666 HOH B O 1 HETATM 3102 O O . HOH K 5 . ? -10.554 -12.517 30.493 1.00 41.77 ? 1667 HOH B O 1 HETATM 3103 O O . HOH K 5 . ? -33.044 -10.333 22.536 1.00 45.05 ? 1668 HOH B O 1 HETATM 3104 O O . HOH K 5 . ? -29.400 5.579 18.344 1.00 47.56 ? 1669 HOH B O 1 HETATM 3105 O O . HOH K 5 . ? -10.117 -23.570 -6.593 1.00 64.77 ? 1670 HOH B O 1 HETATM 3106 O O . HOH K 5 . ? -11.141 -18.423 7.378 1.00 34.70 ? 1671 HOH B O 1 HETATM 3107 O O . HOH K 5 . ? -5.470 -3.453 4.189 1.00 54.43 ? 1672 HOH B O 1 HETATM 3108 O O . HOH K 5 . ? -19.771 -28.176 24.970 1.00 62.07 ? 1673 HOH B O 1 HETATM 3109 O O . HOH K 5 . ? -21.803 -5.167 -1.156 1.00 41.65 ? 1674 HOH B O 1 HETATM 3110 O O . HOH K 5 . ? -8.450 -14.255 17.459 1.00 31.65 ? 1675 HOH B O 1 HETATM 3111 O O . HOH K 5 . ? -29.324 -14.476 9.654 1.00 43.55 ? 1676 HOH B O 1 HETATM 3112 O O . HOH K 5 . ? -30.268 -6.194 12.870 1.00 29.68 ? 1677 HOH B O 1 HETATM 3113 O O . HOH K 5 . ? -8.726 -21.184 5.691 1.00 42.21 ? 1678 HOH B O 1 HETATM 3114 O O . HOH K 5 . ? -5.136 -16.270 4.713 1.00 58.79 ? 1679 HOH B O 1 HETATM 3115 O O . HOH K 5 . ? -26.019 -1.441 7.808 1.00 37.63 ? 1680 HOH B O 1 HETATM 3116 O O . HOH K 5 . ? -26.130 -26.094 23.473 1.00 64.16 ? 1681 HOH B O 1 HETATM 3117 O O . HOH K 5 . ? -4.310 -11.846 5.197 1.00 43.71 ? 1682 HOH B O 1 HETATM 3118 O O . HOH K 5 . ? -31.435 -13.705 15.166 1.00 54.15 ? 1683 HOH B O 1 HETATM 3119 O O . HOH K 5 . ? -29.627 -1.758 6.906 1.00 42.29 ? 1684 HOH B O 1 HETATM 3120 O O . HOH K 5 . ? -32.957 -10.325 13.738 1.00 60.62 ? 1685 HOH B O 1 HETATM 3121 O O . HOH K 5 . ? -30.397 -7.160 8.249 1.00 40.32 ? 1686 HOH B O 1 HETATM 3122 O O . HOH K 5 . ? -19.024 9.283 26.885 1.00 49.78 ? 1687 HOH B O 1 HETATM 3123 O O . HOH K 5 . ? -34.719 0.474 20.483 1.00 38.90 ? 1688 HOH B O 1 HETATM 3124 O O . HOH K 5 . ? -24.917 -20.426 -12.055 1.00 40.72 ? 1689 HOH B O 1 HETATM 3125 O O . HOH K 5 . ? -23.650 2.912 7.317 1.00 54.21 ? 1690 HOH B O 1 HETATM 3126 O O . HOH K 5 . ? -13.626 -26.508 5.207 1.00 51.90 ? 1691 HOH B O 1 HETATM 3127 O O . HOH K 5 . ? -18.604 -26.610 -0.189 1.00 48.16 ? 1692 HOH B O 1 HETATM 3128 O O . HOH K 5 . ? -15.986 -20.116 31.260 1.00 48.79 ? 1693 HOH B O 1 HETATM 3129 O O . HOH K 5 . ? -8.142 -13.235 -0.769 1.00 43.26 ? 1694 HOH B O 1 HETATM 3130 O O . HOH K 5 . ? -10.324 -12.125 33.169 1.00 51.75 ? 1695 HOH B O 1 HETATM 3131 O O . HOH K 5 . ? -23.787 -20.629 29.658 1.00 54.58 ? 1696 HOH B O 1 HETATM 3132 O O . HOH K 5 . ? -30.839 -3.667 11.455 1.00 37.62 ? 1697 HOH B O 1 HETATM 3133 O O . HOH K 5 . ? -16.668 -33.553 12.652 1.00 77.99 ? 1698 HOH B O 1 HETATM 3134 O O . HOH K 5 . ? -25.554 -23.340 24.875 1.00 53.93 ? 1699 HOH B O 1 HETATM 3135 O O . HOH K 5 . ? -30.519 7.344 20.632 1.00 38.21 ? 1700 HOH B O 1 HETATM 3136 O O . HOH K 5 . ? -21.753 -27.650 10.408 1.00 54.42 ? 1701 HOH B O 1 HETATM 3137 O O . HOH K 5 . ? -3.124 -12.294 2.913 1.00 41.75 ? 1702 HOH B O 1 HETATM 3138 O O . HOH K 5 . ? -18.891 -17.809 5.841 1.00 36.75 ? 1703 HOH B O 1 HETATM 3139 O O . HOH K 5 . ? -14.016 0.491 6.312 1.00 47.56 ? 1704 HOH B O 1 HETATM 3140 O O . HOH K 5 . ? -10.144 -1.702 11.189 1.00 58.48 ? 1705 HOH B O 1 HETATM 3141 O O . HOH K 5 . ? -26.770 -21.196 -5.394 1.00 52.06 ? 1706 HOH B O 1 HETATM 3142 O O . HOH K 5 . ? -23.466 -3.178 3.106 1.00 54.55 ? 1707 HOH B O 1 HETATM 3143 O O . HOH K 5 . ? -21.709 7.912 26.755 1.00 58.00 ? 1708 HOH B O 1 HETATM 3144 O O . HOH K 5 . ? -25.526 -13.698 0.412 1.00 61.09 ? 1709 HOH B O 1 HETATM 3145 O O . HOH K 5 . ? -19.048 -27.264 -9.743 1.00 69.24 ? 1710 HOH B O 1 HETATM 3146 O O . HOH K 5 . ? -5.187 -16.513 1.716 1.00 58.10 ? 1711 HOH B O 1 HETATM 3147 O O . HOH K 5 . ? -30.967 -16.151 13.675 1.00 52.22 ? 1712 HOH B O 1 HETATM 3148 O O . HOH K 5 . ? -25.040 -24.532 7.171 1.00 55.56 ? 1713 HOH B O 1 HETATM 3149 O O . HOH K 5 . ? -31.385 -9.808 11.629 1.00 56.92 ? 1714 HOH B O 1 HETATM 3150 O O . HOH K 5 . ? -7.745 3.978 30.951 1.00 62.76 ? 1715 HOH B O 1 HETATM 3151 O O . HOH K 5 . ? -18.048 -29.293 -10.613 1.00 51.61 ? 1716 HOH B O 1 HETATM 3152 O O . HOH K 5 . ? -24.057 7.417 22.610 1.00 41.71 ? 1717 HOH B O 1 HETATM 3153 O O . HOH K 5 . ? -34.652 -8.156 26.954 1.00 64.11 ? 1718 HOH B O 1 HETATM 3154 O O . HOH K 5 . ? -34.176 -6.262 33.088 1.00 50.30 ? 1719 HOH B O 1 HETATM 3155 O O . HOH K 5 . ? -34.301 -7.152 28.936 1.00 66.80 ? 1720 HOH B O 1 HETATM 3156 O O . HOH K 5 . ? -13.305 -25.129 7.629 1.00 41.13 ? 1721 HOH B O 1 HETATM 3157 O O . HOH K 5 . ? -21.408 8.507 22.386 1.00 54.61 ? 1722 HOH B O 1 HETATM 3158 O O . HOH K 5 . ? -11.112 -14.127 35.137 1.00 47.53 ? 1723 HOH B O 1 HETATM 3159 O O . HOH K 5 . ? -32.167 -1.542 12.800 1.00 59.51 ? 1724 HOH B O 1 HETATM 3160 O O . HOH K 5 . ? -5.145 -18.810 3.661 1.00 58.10 ? 1725 HOH B O 1 HETATM 3161 O O . HOH K 5 . ? -24.947 -11.598 1.259 1.00 50.38 ? 1726 HOH B O 1 HETATM 3162 O O . HOH K 5 . ? -34.274 -3.713 16.418 1.00 50.10 ? 1727 HOH B O 1 HETATM 3163 O O . HOH K 5 . ? -23.367 8.436 30.504 1.00 37.87 ? 1728 HOH B O 1 HETATM 3164 O O . HOH K 5 . ? -15.388 -14.938 35.594 1.00 59.50 ? 1729 HOH B O 1 HETATM 3165 O O . HOH K 5 . ? -10.202 -15.575 31.060 1.00 56.95 ? 1730 HOH B O 1 HETATM 3166 O O . HOH K 5 . ? -27.020 6.739 18.808 1.00 45.29 ? 1731 HOH B O 1 HETATM 3167 O O . HOH K 5 . ? -30.143 5.286 14.479 1.00 59.97 ? 1732 HOH B O 1 HETATM 3168 O O . HOH K 5 . ? -25.916 9.266 28.427 1.00 60.34 ? 1733 HOH B O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . MET A 1 ? 1.3799 1.1969 0.8228 0.1504 0.0491 0.1068 1 MET A N 2 C CA . MET A 1 ? 1.3406 1.1721 0.8522 0.1548 0.0566 0.1035 1 MET A CA 3 C C . MET A 1 ? 1.3108 1.1361 0.8322 0.1567 0.0479 0.0742 1 MET A C 4 O O . MET A 1 ? 1.3267 1.1437 0.8336 0.1525 0.0211 0.0620 1 MET A O 5 C CB . MET A 1 ? 1.2999 1.1471 0.8674 0.1510 0.0357 0.1225 1 MET A CB 6 C CG . MET A 1 ? 1.2566 1.1198 0.8894 0.1548 0.0485 0.1286 1 MET A CG 7 S SD . MET A 1 ? 1.1868 1.0636 0.8827 0.1499 0.0187 0.1399 1 MET A SD 8 C CE . MET A 1 ? 1.0325 0.9253 0.7810 0.1527 0.0400 0.1632 1 MET A CE 9 N N . GLN A 2 ? 1.2794 1.1094 0.8297 0.1627 0.0704 0.0647 2 GLN A N 10 C CA . GLN A 2 ? 1.1859 1.0124 0.7537 0.1647 0.0641 0.0400 2 GLN A CA 11 C C . GLN A 2 ? 1.0614 0.8971 0.6724 0.1607 0.0343 0.0398 2 GLN A C 12 O O . GLN A 2 ? 1.0080 0.8584 0.6633 0.1597 0.0308 0.0554 2 GLN A O 13 C CB . GLN A 2 ? 1.1332 0.9660 0.7346 0.1714 0.0930 0.0358 2 GLN A CB 14 N N . ALA A 3 ? 0.9795 0.8059 0.5778 0.1584 0.0136 0.0215 3 ALA A N 15 C CA . ALA A 3 ? 0.8176 0.6512 0.4546 0.1552 -0.0118 0.0185 3 ALA A CA 16 C C . ALA A 3 ? 0.7730 0.6084 0.4381 0.1584 -0.0085 0.0002 3 ALA A C 17 O O . ALA A 3 ? 0.8378 0.6621 0.4807 0.1610 0.0001 -0.0167 3 ALA A O 18 C CB . ALA A 3 ? 0.7623 0.5855 0.3725 0.1497 -0.0398 0.0153 3 ALA A CB 19 N N . ILE A 4 ? 0.6661 0.5148 0.3792 0.1578 -0.0155 0.0036 4 ILE A N 20 C CA . ILE A 4 ? 0.6857 0.5383 0.4274 0.1603 -0.0113 -0.0094 4 ILE A CA 21 C C . ILE A 4 ? 0.6810 0.5385 0.4499 0.1573 -0.0331 -0.0144 4 ILE A C 22 O O . ILE A 4 ? 0.6933 0.5597 0.4848 0.1547 -0.0427 -0.0040 4 ILE A O 23 C CB . ILE A 4 ? 0.6521 0.5170 0.4278 0.1633 0.0082 0.0002 4 ILE A CB 24 C CG1 . ILE A 4 ? 0.7071 0.5676 0.4613 0.1671 0.0335 0.0060 4 ILE A CG1 25 C CG2 . ILE A 4 ? 0.5885 0.4577 0.3937 0.1651 0.0110 -0.0108 4 ILE A CG2 26 C CD1 . ILE A 4 ? 0.7903 0.6634 0.5830 0.1697 0.0518 0.0196 4 ILE A CD1 27 N N . LYS A 5 ? 0.5947 0.4458 0.3622 0.1577 -0.0399 -0.0307 5 LYS A N 28 C CA . LYS A 5 ? 0.5430 0.3993 0.3389 0.1555 -0.0564 -0.0358 5 LYS A CA 29 C C . LYS A 5 ? 0.4962 0.3625 0.3250 0.1576 -0.0463 -0.0387 5 LYS A C 30 O O . LYS A 5 ? 0.4938 0.3563 0.3216 0.1605 -0.0356 -0.0476 5 LYS A O 31 C CB . LYS A 5 ? 0.5971 0.4411 0.3773 0.1540 -0.0722 -0.0493 5 LYS A CB 32 C CG . LYS A 5 ? 0.5722 0.4214 0.3855 0.1525 -0.0860 -0.0548 5 LYS A CG 33 C CD . LYS A 5 ? 0.6213 0.4579 0.4243 0.1511 -0.1018 -0.0674 5 LYS A CD 34 C CE . LYS A 5 ? 0.5426 0.3851 0.3834 0.1502 -0.1124 -0.0716 5 LYS A CE 35 N NZ . LYS A 5 ? 0.5869 0.4170 0.4242 0.1484 -0.1300 -0.0821 5 LYS A NZ 36 N N . CYS A 6 ? 0.4632 0.3413 0.3208 0.1559 -0.0503 -0.0312 6 CYS A N 37 C CA . CYS A 6 ? 0.4836 0.3718 0.3701 0.1565 -0.0434 -0.0313 6 CYS A CA 38 C C . CYS A 6 ? 0.4572 0.3498 0.3623 0.1542 -0.0561 -0.0361 6 CYS A C 39 O O . CYS A 6 ? 0.4518 0.3464 0.3618 0.1518 -0.0663 -0.0329 6 CYS A O 40 C CB . CYS A 6 ? 0.4134 0.3112 0.3152 0.1560 -0.0351 -0.0174 6 CYS A CB 41 S SG . CYS A 6 ? 0.4619 0.3725 0.3980 0.1546 -0.0322 -0.0136 6 CYS A SG 42 N N . VAL A 7 ? 0.4368 0.3306 0.3540 0.1552 -0.0544 -0.0438 7 VAL A N 43 C CA . VAL A 7 ? 0.4299 0.3281 0.3651 0.1535 -0.0629 -0.0480 7 VAL A CA 44 C C . VAL A 7 ? 0.4066 0.3163 0.3622 0.1526 -0.0559 -0.0430 7 VAL A C 45 O O . VAL A 7 ? 0.3970 0.3093 0.3592 0.1539 -0.0464 -0.0408 7 VAL A O 46 C CB . VAL A 7 ? 0.4767 0.3674 0.4127 0.1546 -0.0686 -0.0591 7 VAL A CB 47 C CG1 . VAL A 7 ? 0.4498 0.3467 0.4092 0.1533 -0.0738 -0.0613 7 VAL A CG1 48 C CG2 . VAL A 7 ? 0.4915 0.3696 0.4048 0.1541 -0.0799 -0.0635 7 VAL A CG2 49 N N . VAL A 8 ? 0.3458 0.2616 0.3112 0.1500 -0.0609 -0.0413 8 VAL A N 50 C CA . VAL A 8 ? 0.3598 0.2857 0.3380 0.1478 -0.0569 -0.0359 8 VAL A CA 51 C C . VAL A 8 ? 0.3704 0.2997 0.3602 0.1475 -0.0571 -0.0409 8 VAL A C 52 O O . VAL A 8 ? 0.3455 0.2730 0.3375 0.1471 -0.0622 -0.0466 8 VAL A O 53 C CB . VAL A 8 ? 0.4256 0.3548 0.4029 0.1446 -0.0615 -0.0314 8 VAL A CB 54 C CG1 . VAL A 8 ? 0.3889 0.3267 0.3736 0.1413 -0.0595 -0.0259 8 VAL A CG1 55 C CG2 . VAL A 8 ? 0.4106 0.3370 0.3814 0.1449 -0.0614 -0.0244 8 VAL A CG2 56 N N . VAL A 9 ? 0.3357 0.2704 0.3364 0.1476 -0.0509 -0.0374 9 VAL A N 57 C CA . VAL A 9 ? 0.3556 0.2949 0.3700 0.1472 -0.0493 -0.0391 9 VAL A CA 58 C C . VAL A 9 ? 0.3937 0.3437 0.4140 0.1438 -0.0451 -0.0292 9 VAL A C 59 O O . VAL A 9 ? 0.3117 0.2652 0.3299 0.1417 -0.0445 -0.0208 9 VAL A O 60 C CB . VAL A 9 ? 0.3458 0.2810 0.3722 0.1502 -0.0476 -0.0435 9 VAL A CB 61 C CG1 . VAL A 9 ? 0.4262 0.3487 0.4405 0.1527 -0.0540 -0.0532 9 VAL A CG1 62 C CG2 . VAL A 9 ? 0.3525 0.2910 0.3879 0.1507 -0.0406 -0.0368 9 VAL A CG2 63 N N . GLY A 10 ? 0.3480 0.3034 0.3768 0.1427 -0.0425 -0.0288 10 GLY A N 64 C CA . GLY A 10 ? 0.3308 0.2961 0.3605 0.1386 -0.0392 -0.0183 10 GLY A CA 65 C C . GLY A 10 ? 0.3170 0.2856 0.3410 0.1369 -0.0361 -0.0211 10 GLY A C 66 O O . GLY A 10 ? 0.3480 0.3110 0.3694 0.1388 -0.0369 -0.0314 10 GLY A O 67 N N . ASP A 11 ? 0.3333 0.3106 0.3558 0.1332 -0.0319 -0.0114 11 ASP A N 68 C CA . ASP A 11 ? 0.3733 0.3540 0.3873 0.1315 -0.0251 -0.0133 11 ASP A CA 69 C C . ASP A 11 ? 0.4403 0.4148 0.4333 0.1306 -0.0264 -0.0247 11 ASP A C 70 O O . ASP A 11 ? 0.3516 0.3214 0.3327 0.1291 -0.0345 -0.0270 11 ASP A O 71 C CB . ASP A 11 ? 0.3559 0.3464 0.3615 0.1260 -0.0221 0.0012 11 ASP A CB 72 C CG . ASP A 11 ? 0.3802 0.3786 0.4123 0.1268 -0.0174 0.0132 11 ASP A CG 73 O OD1 . ASP A 11 ? 0.3463 0.3419 0.4035 0.1317 -0.0171 0.0089 11 ASP A OD1 74 O OD2 . ASP A 11 ? 0.3598 0.3670 0.3873 0.1220 -0.0154 0.0276 11 ASP A OD2 75 N N . GLY A 12 ? 0.3835 0.3581 0.3755 0.1316 -0.0175 -0.0313 12 GLY A N 76 C CA . GLY A 12 ? 0.3672 0.3356 0.3415 0.1306 -0.0165 -0.0431 12 GLY A CA 77 C C . GLY A 12 ? 0.4140 0.3828 0.3585 0.1243 -0.0214 -0.0397 12 GLY A C 78 O O . GLY A 12 ? 0.4661 0.4419 0.3997 0.1199 -0.0202 -0.0277 12 GLY A O 79 N N . ALA A 13 ? 0.4211 0.3818 0.3545 0.1233 -0.0289 -0.0491 13 ALA A N 80 C CA . ALA A 13 ? 0.5086 0.4668 0.4138 0.1169 -0.0354 -0.0496 13 ALA A CA 81 C C . ALA A 13 ? 0.5623 0.5250 0.4655 0.1123 -0.0472 -0.0340 13 ALA A C 82 O O . ALA A 13 ? 0.5160 0.4781 0.3971 0.1057 -0.0548 -0.0303 13 ALA A O 83 C CB . ALA A 13 ? 0.6414 0.6011 0.5219 0.1137 -0.0243 -0.0525 13 ALA A CB 84 N N . VAL A 14 ? 0.5235 0.4900 0.4505 0.1156 -0.0493 -0.0252 14 VAL A N 85 C CA . VAL A 14 ? 0.4988 0.4681 0.4307 0.1122 -0.0596 -0.0120 14 VAL A CA 86 C C . VAL A 14 ? 0.4787 0.4404 0.4106 0.1121 -0.0692 -0.0177 14 VAL A C 87 O O . VAL A 14 ? 0.4864 0.4491 0.4226 0.1087 -0.0786 -0.0079 14 VAL A O 88 C CB . VAL A 14 ? 0.4959 0.4707 0.4538 0.1160 -0.0563 -0.0018 14 VAL A CB 89 C CG1 . VAL A 14 ? 0.4937 0.4758 0.4575 0.1163 -0.0472 0.0038 14 VAL A CG1 90 C CG2 . VAL A 14 ? 0.3779 0.3467 0.3502 0.1227 -0.0544 -0.0103 14 VAL A CG2 91 N N . GLY A 15 ? 0.4026 0.3571 0.3331 0.1154 -0.0671 -0.0322 15 GLY A N 92 C CA . GLY A 15 ? 0.4871 0.4345 0.4197 0.1150 -0.0761 -0.0370 15 GLY A CA 93 C C . GLY A 15 ? 0.4839 0.4295 0.4354 0.1204 -0.0762 -0.0352 15 GLY A C 94 O O . GLY A 15 ? 0.4551 0.3986 0.4131 0.1195 -0.0834 -0.0301 15 GLY A O 95 N N . LYS A 16 ? 0.4089 0.3548 0.3688 0.1255 -0.0686 -0.0387 16 LYS A N 96 C CA . LYS A 16 ? 0.4031 0.3457 0.3743 0.1300 -0.0695 -0.0379 16 LYS A CA 97 C C . LYS A 16 ? 0.4405 0.3762 0.4138 0.1302 -0.0761 -0.0437 16 LYS A C 98 O O . LYS A 16 ? 0.4190 0.3530 0.3966 0.1305 -0.0806 -0.0372 16 LYS A O 99 C CB . LYS A 16 ? 0.3768 0.3189 0.3556 0.1344 -0.0635 -0.0426 16 LYS A CB 100 C CG . LYS A 16 ? 0.3506 0.2990 0.3343 0.1349 -0.0573 -0.0360 16 LYS A CG 101 C CD . LYS A 16 ? 0.3806 0.3273 0.3757 0.1390 -0.0537 -0.0413 16 LYS A CD 102 C CE . LYS A 16 ? 0.3904 0.3362 0.3901 0.1397 -0.0507 -0.0500 16 LYS A CE 103 N NZ . LYS A 16 ? 0.4550 0.4084 0.4513 0.1370 -0.0429 -0.0466 16 LYS A NZ 104 N N . THR A 17 ? 0.4102 0.3422 0.3832 0.1302 -0.0755 -0.0551 17 THR A N 105 C CA . THR A 17 ? 0.4232 0.3484 0.4047 0.1308 -0.0817 -0.0611 17 THR A CA 106 C C . THR A 17 ? 0.4338 0.3571 0.4130 0.1266 -0.0901 -0.0578 17 THR A C 107 O O . THR A 17 ? 0.4138 0.3341 0.4036 0.1269 -0.0967 -0.0535 17 THR A O 108 C CB . THR A 17 ? 0.4386 0.3600 0.4258 0.1320 -0.0770 -0.0751 17 THR A CB 109 O OG1 . THR A 17 ? 0.4066 0.3302 0.4022 0.1357 -0.0705 -0.0760 17 THR A OG1 110 C CG2 . THR A 17 ? 0.4244 0.3388 0.4276 0.1328 -0.0839 -0.0804 17 THR A CG2 111 N N . CYS A 18 ? 0.5134 0.4385 0.4794 0.1221 -0.0910 -0.0583 18 CYS A N 112 C CA . CYS A 18 ? 0.5032 0.4260 0.4687 0.1172 -0.1017 -0.0546 18 CYS A CA 113 C C . CYS A 18 ? 0.5130 0.4399 0.4902 0.1172 -0.1058 -0.0383 18 CYS A C 114 O O . CYS A 18 ? 0.5042 0.4282 0.4936 0.1157 -0.1141 -0.0339 18 CYS A O 115 C CB . CYS A 18 ? 0.4889 0.4126 0.4343 0.1114 -0.1040 -0.0564 18 CYS A CB 116 S SG . CYS A 18 ? 0.5573 0.4702 0.4906 0.1081 -0.1079 -0.0760 18 CYS A SG 117 N N . LEU A 19 ? 0.4408 0.3742 0.4169 0.1190 -0.0989 -0.0292 19 LEU A N 118 C CA . LEU A 19 ? 0.4478 0.3850 0.4360 0.1203 -0.0981 -0.0145 19 LEU A CA 119 C C . LEU A 19 ? 0.4531 0.3865 0.4506 0.1240 -0.0979 -0.0128 19 LEU A C 120 O O . LEU A 19 ? 0.4229 0.3565 0.4326 0.1230 -0.1016 -0.0027 19 LEU A O 121 C CB . LEU A 19 ? 0.4649 0.4077 0.4520 0.1230 -0.0882 -0.0093 19 LEU A CB 122 C CG . LEU A 19 ? 0.5442 0.4895 0.5436 0.1258 -0.0827 0.0030 19 LEU A CG 123 C CD1 . LEU A 19 ? 0.6381 0.5891 0.6506 0.1216 -0.0863 0.0165 19 LEU A CD1 124 C CD2 . LEU A 19 ? 0.6187 0.5646 0.6154 0.1307 -0.0720 0.0006 19 LEU A CD2 125 N N . LEU A 20 ? 0.4486 0.3786 0.4416 0.1278 -0.0942 -0.0211 20 LEU A N 126 C CA . LEU A 20 ? 0.4539 0.3800 0.4520 0.1307 -0.0953 -0.0184 20 LEU A CA 127 C C . LEU A 20 ? 0.4174 0.3395 0.4280 0.1284 -0.1049 -0.0188 20 LEU A C 128 O O . LEU A 20 ? 0.4220 0.3438 0.4416 0.1288 -0.1072 -0.0082 20 LEU A O 129 C CB . LEU A 20 ? 0.3925 0.3155 0.3850 0.1342 -0.0926 -0.0269 20 LEU A CB 130 C CG . LEU A 20 ? 0.3835 0.3091 0.3672 0.1368 -0.0841 -0.0252 20 LEU A CG 131 C CD1 . LEU A 20 ? 0.3917 0.3144 0.3736 0.1392 -0.0833 -0.0349 20 LEU A CD1 132 C CD2 . LEU A 20 ? 0.4177 0.3419 0.3969 0.1390 -0.0805 -0.0152 20 LEU A CD2 133 N N . ILE A 21 ? 0.4020 0.3207 0.4141 0.1262 -0.1095 -0.0312 21 ILE A N 134 C CA . ILE A 21 ? 0.4468 0.3603 0.4743 0.1239 -0.1190 -0.0342 21 ILE A CA 135 C C . ILE A 21 ? 0.3842 0.2992 0.4210 0.1199 -0.1261 -0.0237 21 ILE A C 136 O O . ILE A 21 ? 0.4364 0.3495 0.4922 0.1192 -0.1328 -0.0164 21 ILE A O 137 C CB . ILE A 21 ? 0.3814 0.2896 0.4061 0.1224 -0.1199 -0.0527 21 ILE A CB 138 C CG1 . ILE A 21 ? 0.4941 0.4008 0.5203 0.1265 -0.1135 -0.0614 21 ILE A CG1 139 C CG2 . ILE A 21 ? 0.4729 0.3741 0.5145 0.1193 -0.1304 -0.0585 21 ILE A CG2 140 C CD1 . ILE A 21 ? 0.5417 0.4439 0.5651 0.1260 -0.1090 -0.0793 21 ILE A CD1 141 N N . SER A 22 ? 0.4056 0.3242 0.4328 0.1170 -0.1257 -0.0215 22 SER A N 142 C CA . SER A 22 ? 0.4330 0.3527 0.4723 0.1123 -0.1348 -0.0117 22 SER A CA 143 C C . SER A 22 ? 0.4513 0.3760 0.5075 0.1147 -0.1309 0.0074 22 SER A C 144 O O . SER A 22 ? 0.4464 0.3707 0.5243 0.1124 -0.1384 0.0171 22 SER A O 145 C CB . SER A 22 ? 0.4653 0.3881 0.4906 0.1081 -0.1366 -0.0115 22 SER A CB 146 O OG . SER A 22 ? 0.5171 0.4386 0.5546 0.1020 -0.1502 -0.0049 22 SER A OG 147 N N . TYR A 23 ? 0.4355 0.3643 0.4822 0.1193 -0.1183 0.0123 23 TYR A N 148 C CA . TYR A 23 ? 0.4847 0.4171 0.5413 0.1224 -0.1103 0.0285 23 TYR A CA 149 C C . TYR A 23 ? 0.4819 0.4110 0.5471 0.1241 -0.1125 0.0330 23 TYR A C 150 O O . TYR A 23 ? 0.4716 0.4027 0.5559 0.1235 -0.1132 0.0478 23 TYR A O 151 C CB . TYR A 23 ? 0.5134 0.4483 0.5536 0.1270 -0.0963 0.0287 23 TYR A CB 152 C CG . TYR A 23 ? 0.5013 0.4379 0.5447 0.1307 -0.0849 0.0424 23 TYR A CG 153 C CD1 . TYR A 23 ? 0.4552 0.3968 0.5188 0.1301 -0.0803 0.0578 23 TYR A CD1 154 C CD2 . TYR A 23 ? 0.4745 0.4071 0.5003 0.1347 -0.0786 0.0402 23 TYR A CD2 155 C CE1 . TYR A 23 ? 0.4918 0.4348 0.5575 0.1340 -0.0662 0.0701 23 TYR A CE1 156 C CE2 . TYR A 23 ? 0.4580 0.3910 0.4800 0.1380 -0.0666 0.0518 23 TYR A CE2 157 C CZ . TYR A 23 ? 0.5050 0.4432 0.5465 0.1380 -0.0587 0.0664 23 TYR A CZ 158 O OH . TYR A 23 ? 0.5619 0.5003 0.5990 0.1417 -0.0432 0.0777 23 TYR A OH 159 N N . THR A 24 ? 0.4405 0.3650 0.4948 0.1260 -0.1139 0.0223 24 THR A N 160 C CA . THR A 24 ? 0.4121 0.3339 0.4736 0.1274 -0.1166 0.0289 24 THR A CA 161 C C . THR A 24 ? 0.4814 0.4003 0.5696 0.1239 -0.1294 0.0299 24 THR A C 162 O O . THR A 24 ? 0.4730 0.3919 0.5759 0.1241 -0.1321 0.0424 24 THR A O 163 C CB . THR A 24 ? 0.4560 0.3735 0.5025 0.1299 -0.1166 0.0185 24 THR A CB 164 O OG1 . THR A 24 ? 0.4698 0.3843 0.5179 0.1287 -0.1212 0.0011 24 THR A OG1 165 C CG2 . THR A 24 ? 0.4733 0.3918 0.4953 0.1334 -0.1055 0.0187 24 THR A CG2 166 N N . THR A 25 ? 0.4299 0.3459 0.5240 0.1205 -0.1373 0.0170 25 THR A N 167 C CA . THR A 25 ? 0.4727 0.3838 0.5930 0.1171 -0.1503 0.0145 25 THR A CA 168 C C . THR A 25 ? 0.5128 0.4252 0.6490 0.1126 -0.1577 0.0216 25 THR A C 169 O O . THR A 25 ? 0.4556 0.3634 0.6167 0.1092 -0.1700 0.0207 25 THR A O 170 C CB . THR A 25 ? 0.4643 0.3677 0.5818 0.1161 -0.1555 -0.0083 25 THR A CB 171 O OG1 . THR A 25 ? 0.4755 0.3780 0.5743 0.1134 -0.1551 -0.0201 25 THR A OG1 172 C CG2 . THR A 25 ? 0.4811 0.3835 0.5883 0.1202 -0.1490 -0.0151 25 THR A CG2 173 N N . ASN A 26 ? 0.2964 0.3494 0.5734 0.1392 -0.0045 0.0388 26 ASN A N 174 C CA . ASN A 26 ? 0.3895 0.4370 0.6848 0.1345 -0.0045 0.0449 26 ASN A CA 175 C C . ASN A 26 ? 0.3749 0.4279 0.6800 0.1293 -0.0141 0.0368 26 ASN A C 176 O O . ASN A 26 ? 0.3318 0.3783 0.6537 0.1263 -0.0167 0.0415 26 ASN A O 177 C CB . ASN A 26 ? 0.4502 0.4869 0.7580 0.1379 -0.0009 0.0570 26 ASN A CB 178 C CG . ASN A 26 ? 0.5435 0.5801 0.8414 0.1415 0.0098 0.0653 26 ASN A CG 179 O OD1 . ASN A 26 ? 0.4662 0.5050 0.7643 0.1403 0.0173 0.0683 26 ASN A OD1 180 N ND2 . ASN A 26 ? 0.5959 0.6310 0.8858 0.1459 0.0098 0.0683 26 ASN A ND2 181 N N . ALA A 27 ? 0.3247 0.3923 0.6188 0.1276 -0.0195 0.0246 27 ALA A N 182 C CA . ALA A 27 ? 0.2828 0.3620 0.5833 0.1217 -0.0279 0.0147 27 ALA A CA 183 C C . ALA A 27 ? 0.2772 0.3803 0.5625 0.1161 -0.0315 0.0050 27 ALA A C 184 O O . ALA A 27 ? 0.2779 0.3884 0.5498 0.1208 -0.0299 0.0008 27 ALA A O 185 C CB . ALA A 27 ? 0.2915 0.3654 0.6021 0.1290 -0.0340 0.0060 27 ALA A CB 186 N N . PHE A 28 ? 0.2726 0.3898 0.5603 0.1046 -0.0370 0.0030 28 PHE A N 187 C CA . PHE A 28 ? 0.2688 0.4154 0.5435 0.0965 -0.0422 -0.0056 28 PHE A CA 188 C C . PHE A 28 ? 0.2734 0.4362 0.5454 0.1051 -0.0447 -0.0235 28 PHE A C 189 O O . PHE A 28 ? 0.2798 0.4339 0.5640 0.1116 -0.0471 -0.0311 28 PHE A O 190 C CB . PHE A 28 ? 0.2653 0.4253 0.5452 0.0808 -0.0489 -0.0025 28 PHE A CB 191 C CG . PHE A 28 ? 0.2687 0.4619 0.5350 0.0683 -0.0549 -0.0060 28 PHE A CG 192 C CD1 . PHE A 28 ? 0.2597 0.4548 0.5163 0.0612 -0.0562 0.0045 28 PHE A CD1 193 C CD2 . PHE A 28 ? 0.2640 0.4884 0.5272 0.0634 -0.0601 -0.0203 28 PHE A CD2 194 C CE1 . PHE A 28 ? 0.2583 0.4856 0.5030 0.0473 -0.0636 0.0043 28 PHE A CE1 195 C CE2 . PHE A 28 ? 0.2823 0.5439 0.5326 0.0501 -0.0654 -0.0220 28 PHE A CE2 196 C CZ . PHE A 28 ? 0.2586 0.5213 0.4999 0.0411 -0.0676 -0.0079 28 PHE A CZ 197 N N . PRO A 29 ? 0.2717 0.4581 0.5295 0.1055 -0.0451 -0.0306 29 PRO A N 198 C CA . PRO A 29 ? 0.2771 0.4804 0.5353 0.1164 -0.0472 -0.0491 29 PRO A CA 199 C C . PRO A 29 ? 0.3499 0.5862 0.6103 0.1118 -0.0531 -0.0671 29 PRO A C 200 O O . PRO A 29 ? 0.5769 0.8367 0.8358 0.1202 -0.0545 -0.0843 29 PRO A O 201 C CB . PRO A 29 ? 0.2742 0.4933 0.5168 0.1177 -0.0450 -0.0480 29 PRO A CB 202 C CG . PRO A 29 ? 0.2926 0.5171 0.5246 0.1016 -0.0457 -0.0338 29 PRO A CG 203 C CD . PRO A 29 ? 0.2671 0.4611 0.5098 0.0984 -0.0440 -0.0213 29 PRO A CD 204 N N . GLY A 30 ? 0.2781 0.5177 0.5426 0.0992 -0.0565 -0.0639 30 GLY A N 205 C CA . GLY A 30 ? 0.2815 0.5557 0.5452 0.0912 -0.0621 -0.0795 30 GLY A CA 206 C C . GLY A 30 ? 0.4005 0.7094 0.6621 0.1003 -0.0638 -0.1054 30 GLY A C 207 O O . GLY A 30 ? 0.3151 0.6687 0.5667 0.0894 -0.0659 -0.1137 30 GLY A O 208 N N . GLU A 31 ? 0.5083 0.7992 0.7808 0.1199 -0.0638 -0.1182 31 GLU A N 209 C CA . GLU A 31 ? 0.5966 0.9176 0.8725 0.1322 -0.0666 -0.1462 31 GLU A CA 210 C C . GLU A 31 ? 0.5889 0.9516 0.8511 0.1310 -0.0631 -0.1500 31 GLU A C 211 O O . GLU A 31 ? 0.5850 0.9929 0.8450 0.1327 -0.0644 -0.1715 31 GLU A O 212 C CB . GLU A 31 ? 0.6850 0.9721 0.9789 0.1537 -0.0699 -0.1559 31 GLU A CB 213 C CG . GLU A 31 ? 0.7880 1.0587 1.0984 0.1592 -0.0780 -0.1716 31 GLU A CG 214 C CD . GLU A 31 ? 0.9550 1.2686 1.2659 0.1628 -0.0821 -0.2039 31 GLU A CD 215 O OE1 . GLU A 31 ? 1.0396 1.3637 1.3488 0.1517 -0.0855 -0.2107 31 GLU A OE1 216 O OE2 . GLU A 31 ? 0.9543 1.2928 1.2676 0.1767 -0.0822 -0.2232 31 GLU A OE2 217 N N . TYR A 32 ? 0.4199 0.7692 0.6732 0.1281 -0.0590 -0.1296 32 TYR A N 218 C CA . TYR A 32 ? 0.3849 0.7690 0.6252 0.1257 -0.0568 -0.1289 32 TYR A CA 219 C C . TYR A 32 ? 0.3356 0.6949 0.5653 0.1176 -0.0540 -0.1028 32 TYR A C 220 O O . TYR A 32 ? 0.3719 0.6895 0.6069 0.1271 -0.0515 -0.0934 32 TYR A O 221 C CB . TYR A 32 ? 0.3164 0.7088 0.5655 0.1468 -0.0568 -0.1469 32 TYR A CB 222 C CG . TYR A 32 ? 0.2927 0.7114 0.5299 0.1458 -0.0543 -0.1412 32 TYR A CG 223 C CD1 . TYR A 32 ? 0.3430 0.8177 0.5683 0.1332 -0.0544 -0.1456 32 TYR A CD1 224 C CD2 . TYR A 32 ? 0.2872 0.6775 0.5252 0.1562 -0.0527 -0.1306 32 TYR A CD2 225 C CE1 . TYR A 32 ? 0.3738 0.8742 0.5890 0.1311 -0.0533 -0.1393 32 TYR A CE1 226 C CE2 . TYR A 32 ? 0.2829 0.6972 0.5099 0.1544 -0.0515 -0.1251 32 TYR A CE2 227 C CZ . TYR A 32 ? 0.3864 0.8552 0.6025 0.1420 -0.0520 -0.1293 32 TYR A CZ 228 O OH . TYR A 32 ? 0.3027 0.7974 0.5084 0.1387 -0.0519 -0.1225 32 TYR A OH 229 N N . ILE A 33 ? 0.3028 0.6881 0.5177 0.0996 -0.0553 -0.0912 33 ILE A N 230 C CA . ILE A 33 ? 0.3387 0.6985 0.5441 0.0924 -0.0543 -0.0686 33 ILE A CA 231 C C . ILE A 33 ? 0.2739 0.6456 0.4702 0.0987 -0.0529 -0.0681 33 ILE A C 232 O O . ILE A 33 ? 0.3073 0.7237 0.4952 0.0914 -0.0554 -0.0725 33 ILE A O 233 C CB . ILE A 33 ? 0.3849 0.7576 0.5818 0.0691 -0.0598 -0.0532 33 ILE A CB 234 C CG1 . ILE A 33 ? 0.4210 0.7774 0.6288 0.0635 -0.0615 -0.0514 33 ILE A CG1 235 C CG2 . ILE A 33 ? 0.4167 0.7625 0.6050 0.0632 -0.0606 -0.0330 33 ILE A CG2 236 C CD1 . ILE A 33 ? 0.3977 0.7625 0.6010 0.0415 -0.0686 -0.0349 33 ILE A CD1 237 N N . PRO A 34 ? 0.2677 0.6024 0.4659 0.1117 -0.0490 -0.0625 34 PRO A N 238 C CA . PRO A 34 ? 0.2691 0.6127 0.4595 0.1184 -0.0481 -0.0619 34 PRO A CA 239 C C . PRO A 34 ? 0.2999 0.6573 0.4726 0.1014 -0.0514 -0.0470 34 PRO A C 240 O O . PRO A 34 ? 0.3005 0.6418 0.4685 0.0882 -0.0537 -0.0338 34 PRO A O 241 C CB . PRO A 34 ? 0.3085 0.6059 0.5038 0.1318 -0.0441 -0.0551 34 PRO A CB 242 C CG . PRO A 34 ? 0.3592 0.6309 0.5697 0.1362 -0.0431 -0.0580 34 PRO A CG 243 C CD . PRO A 34 ? 0.2992 0.5862 0.5070 0.1197 -0.0456 -0.0558 34 PRO A CD 244 N N . THR A 35 ? 0.2660 0.6531 0.4310 0.1019 -0.0530 -0.0491 35 THR A N 245 C CA . THR A 35 ? 0.3328 0.7328 0.4811 0.0859 -0.0581 -0.0345 35 THR A CA 246 C C . THR A 35 ? 0.3303 0.6912 0.4699 0.0911 -0.0564 -0.0231 35 THR A C 247 O O . THR A 35 ? 0.2931 0.6433 0.4198 0.0783 -0.0611 -0.0092 35 THR A O 248 C CB . THR A 35 ? 0.2937 0.7508 0.4379 0.0822 -0.0612 -0.0415 35 THR A CB 249 O OG1 . THR A 35 ? 0.3120 0.8119 0.4597 0.0719 -0.0635 -0.0497 35 THR A OG1 250 C CG2 . THR A 35 ? 0.3029 0.7687 0.4304 0.0673 -0.0677 -0.0247 35 THR A CG2 251 N N . VAL A 36 ? 0.2741 0.6138 0.4208 0.1094 -0.0509 -0.0290 36 VAL A N 252 C CA . VAL A 36 ? 0.2808 0.5920 0.4172 0.1138 -0.0492 -0.0191 36 VAL A CA 253 C C . VAL A 36 ? 0.4220 0.6865 0.5625 0.1213 -0.0433 -0.0140 36 VAL A C 254 O O . VAL A 36 ? 0.3044 0.5572 0.4601 0.1330 -0.0399 -0.0207 36 VAL A O 255 C CB . VAL A 36 ? 0.2838 0.6105 0.4233 0.1268 -0.0490 -0.0254 36 VAL A CB 256 C CG1 . VAL A 36 ? 0.2923 0.5915 0.4188 0.1290 -0.0481 -0.0137 36 VAL A CG1 257 C CG2 . VAL A 36 ? 0.2796 0.6592 0.4169 0.1206 -0.0539 -0.0311 36 VAL A CG2 258 N N . PHE A 37 ? 0.2904 0.5300 0.4181 0.1143 -0.0428 -0.0026 37 PHE A N 259 C CA . PHE A 37 ? 0.2967 0.4981 0.4253 0.1212 -0.0362 0.0027 37 PHE A CA 260 C C . PHE A 37 ? 0.3505 0.5419 0.4623 0.1230 -0.0355 0.0089 37 PHE A C 261 O O . PHE A 37 ? 0.3121 0.5021 0.4084 0.1131 -0.0396 0.0141 37 PHE A O 262 C CB . PHE A 37 ? 0.2965 0.4790 0.4263 0.1127 -0.0358 0.0079 37 PHE A CB 263 C CG . PHE A 37 ? 0.3256 0.4747 0.4567 0.1194 -0.0279 0.0126 37 PHE A CG 264 C CD1 . PHE A 37 ? 0.3010 0.4381 0.4486 0.1269 -0.0223 0.0116 37 PHE A CD1 265 C CD2 . PHE A 37 ? 0.3146 0.4470 0.4305 0.1176 -0.0266 0.0175 37 PHE A CD2 266 C CE1 . PHE A 37 ? 0.3077 0.4207 0.4573 0.1319 -0.0147 0.0170 37 PHE A CE1 267 C CE2 . PHE A 37 ? 0.3224 0.4306 0.4394 0.1239 -0.0181 0.0203 37 PHE A CE2 268 C CZ . PHE A 37 ? 0.3182 0.4188 0.4523 0.1307 -0.0118 0.0209 37 PHE A CZ 269 N N . ASP A 38 ? 0.3117 0.4966 0.4268 0.1345 -0.0321 0.0088 38 ASP A N 270 C CA . ASP A 38 ? 0.3229 0.4997 0.4214 0.1353 -0.0317 0.0156 38 ASP A CA 271 C C . ASP A 38 ? 0.3361 0.4836 0.4242 0.1335 -0.0256 0.0217 38 ASP A C 272 O O . ASP A 38 ? 0.3308 0.4633 0.4298 0.1360 -0.0201 0.0216 38 ASP A O 273 C CB . ASP A 38 ? 0.3680 0.5480 0.4751 0.1470 -0.0319 0.0157 38 ASP A CB 274 C CG . ASP A 38 ? 0.4614 0.6740 0.5746 0.1497 -0.0386 0.0089 38 ASP A CG 275 O OD1 . ASP A 38 ? 0.4994 0.7336 0.6023 0.1402 -0.0428 0.0081 38 ASP A OD1 276 O OD2 . ASP A 38 ? 0.5258 0.7434 0.6555 0.1613 -0.0406 0.0048 38 ASP A OD2 277 N N . ASN A 39 ? 0.3446 0.4863 0.4120 0.1290 -0.0267 0.0258 39 ASN A N 278 C CA . ASN A 39 ? 0.3573 0.4751 0.4136 0.1285 -0.0205 0.0282 39 ASN A CA 279 C C . ASN A 39 ? 0.3779 0.4840 0.4454 0.1373 -0.0113 0.0313 39 ASN A C 280 O O . ASN A 39 ? 0.3670 0.4782 0.4398 0.1431 -0.0113 0.0353 39 ASN A O 281 C CB . ASN A 39 ? 0.3734 0.4883 0.4051 0.1247 -0.0228 0.0311 39 ASN A CB 282 C CG . ASN A 39 ? 0.4403 0.5649 0.4599 0.1139 -0.0338 0.0303 39 ASN A CG 283 O OD1 . ASN A 39 ? 0.3660 0.4971 0.3938 0.1075 -0.0394 0.0284 39 ASN A OD1 284 N ND2 . ASN A 39 ? 0.3877 0.5144 0.3876 0.1102 -0.0381 0.0334 39 ASN A ND2 285 N N . TYR A 40 ? 0.3865 0.4781 0.4592 0.1379 -0.0048 0.0304 40 TYR A N 286 C CA . TYR A 40 ? 0.3648 0.4485 0.4514 0.1442 0.0033 0.0346 40 TYR A CA 287 C C . TYR A 40 ? 0.3762 0.4493 0.4517 0.1452 0.0128 0.0368 40 TYR A C 288 O O . TYR A 40 ? 0.3838 0.4501 0.4484 0.1425 0.0137 0.0309 40 TYR A O 289 C CB . TYR A 40 ? 0.3920 0.4742 0.5001 0.1441 0.0029 0.0316 40 TYR A CB 290 C CG . TYR A 40 ? 0.4375 0.5102 0.5613 0.1483 0.0108 0.0361 40 TYR A CG 291 C CD1 . TYR A 40 ? 0.4776 0.5411 0.6009 0.1479 0.0180 0.0358 40 TYR A CD1 292 C CD2 . TYR A 40 ? 0.4941 0.5678 0.6354 0.1525 0.0095 0.0401 40 TYR A CD2 293 C CE1 . TYR A 40 ? 0.5578 0.6172 0.6969 0.1510 0.0253 0.0410 40 TYR A CE1 294 C CE2 . TYR A 40 ? 0.4219 0.4879 0.5782 0.1544 0.0151 0.0463 40 TYR A CE2 295 C CZ . TYR A 40 ? 0.5939 0.6547 0.7489 0.1532 0.0236 0.0474 40 TYR A CZ 296 O OH . TYR A 40 ? 0.6583 0.7157 0.8293 0.1545 0.0295 0.0546 40 TYR A OH 297 N N . SER A 41 ? 0.3825 0.4558 0.4619 0.1489 0.0190 0.0449 41 SER A N 298 C CA . SER A 41 ? 0.4906 0.5613 0.5613 0.1496 0.0296 0.0473 41 SER A CA 299 C C . SER A 41 ? 0.5098 0.5812 0.6003 0.1522 0.0357 0.0563 41 SER A C 300 O O . SER A 41 ? 0.5488 0.6214 0.6535 0.1533 0.0304 0.0641 41 SER A O 301 C CB . SER A 41 ? 0.5223 0.5989 0.5693 0.1475 0.0305 0.0518 41 SER A CB 302 O OG . SER A 41 ? 0.7394 0.8138 0.7659 0.1442 0.0259 0.0431 41 SER A OG 303 N N . ALA A 42 ? 0.5474 0.6187 0.6401 0.1534 0.0458 0.0549 42 ALA A N 304 C CA . ALA A 42 ? 0.5679 0.6431 0.6793 0.1543 0.0517 0.0653 42 ALA A CA 305 C C . ALA A 42 ? 0.6312 0.7141 0.7394 0.1557 0.0649 0.0634 42 ALA A C 306 O O . ALA A 42 ? 0.6356 0.7144 0.7409 0.1586 0.0682 0.0504 42 ALA A O 307 C CB . ALA A 42 ? 0.5757 0.6435 0.7124 0.1553 0.0464 0.0647 42 ALA A CB 308 N N . ASN A 43 ? 0.7171 0.8131 0.8279 0.1536 0.0715 0.0764 43 ASN A N 309 C CA . ASN A 43 ? 0.8190 0.9295 0.9310 0.1552 0.0854 0.0754 43 ASN A CA 310 C C . ASN A 43 ? 0.8073 0.9135 0.9464 0.1583 0.0876 0.0737 43 ASN A C 311 O O . ASN A 43 ? 0.8161 0.9156 0.9754 0.1562 0.0808 0.0833 43 ASN A O 312 C CB . ASN A 43 ? 0.8601 0.9908 0.9686 0.1494 0.0908 0.0932 43 ASN A CB 313 C CG . ASN A 43 ? 0.9192 1.0580 0.9993 0.1452 0.0897 0.0957 43 ASN A CG 314 O OD1 . ASN A 43 ? 0.8773 1.0106 0.9370 0.1476 0.0893 0.0809 43 ASN A OD1 315 N ND2 . ASN A 43 ? 1.0036 1.1555 1.0828 0.1375 0.0877 0.1158 43 ASN A ND2 316 N N . VAL A 44 ? 0.7683 0.8780 0.9089 0.1637 0.0960 0.0607 44 VAL A N 317 C CA . VAL A 44 ? 0.7816 0.8890 0.9490 0.1669 0.0982 0.0592 44 VAL A CA 318 C C . VAL A 44 ? 0.8048 0.9313 0.9756 0.1726 0.1128 0.0524 44 VAL A C 319 O O . VAL A 44 ? 0.7921 0.9259 0.9431 0.1766 0.1192 0.0396 44 VAL A O 320 C CB . VAL A 44 ? 0.7590 0.8454 0.9330 0.1687 0.0880 0.0473 44 VAL A CB 321 C CG1 . VAL A 44 ? 0.7858 0.8601 0.9600 0.1634 0.0747 0.0531 44 VAL A CG1 322 C CG2 . VAL A 44 ? 0.7431 0.8235 0.8978 0.1726 0.0877 0.0302 44 VAL A CG2 323 N N . MET A 45 ? 0.7940 0.9302 0.9907 0.1733 0.1179 0.0600 45 MET A N 324 C CA . MET A 45 ? 0.7635 0.9236 0.9684 0.1796 0.1326 0.0541 45 MET A CA 325 C C . MET A 45 ? 0.7979 0.9468 1.0236 0.1880 0.1313 0.0395 45 MET A C 326 O O . MET A 45 ? 0.7957 0.9311 1.0437 0.1856 0.1231 0.0459 45 MET A O 327 C CB . MET A 45 ? 0.7707 0.9551 0.9919 0.1738 0.1396 0.0747 45 MET A CB 328 N N . VAL A 46 ? 0.8205 0.9746 1.0394 0.1976 0.1380 0.0196 46 VAL A N 329 C CA . VAL A 46 ? 0.8948 1.0378 1.1359 0.2066 0.1351 0.0052 46 VAL A CA 330 C C . VAL A 46 ? 0.9491 1.1186 1.1970 0.2187 0.1505 -0.0099 46 VAL A C 331 O O . VAL A 46 ? 0.9612 1.1389 1.1866 0.2242 0.1567 -0.0260 46 VAL A O 332 C CB . VAL A 46 ? 0.9569 1.0684 1.1864 0.2074 0.1203 -0.0088 46 VAL A CB 333 C CG1 . VAL A 46 ? 1.0525 1.1651 1.2476 0.2087 0.1226 -0.0208 46 VAL A CG1 334 C CG2 . VAL A 46 ? 0.9245 1.0239 1.1786 0.2165 0.1151 -0.0231 46 VAL A CG2 335 N N . ASP A 47 ? 1.0038 1.1889 1.2833 0.2227 0.1567 -0.0052 47 ASP A N 336 C CA . ASP A 47 ? 0.9987 1.2150 1.2914 0.2354 0.1723 -0.0194 47 ASP A CA 337 C C . ASP A 47 ? 0.9181 1.1730 1.1872 0.2341 0.1891 -0.0187 47 ASP A C 338 O O . ASP A 47 ? 0.8042 1.0771 1.0633 0.2451 0.1993 -0.0409 47 ASP A O 339 C CB . ASP A 47 ? 1.0437 1.2419 1.3407 0.2497 0.1672 -0.0479 47 ASP A CB 340 C CG . ASP A 47 ? 1.0340 1.1982 1.3574 0.2498 0.1495 -0.0469 47 ASP A CG 341 O OD1 . ASP A 47 ? 1.0584 1.2216 1.4027 0.2420 0.1457 -0.0271 47 ASP A OD1 342 O OD2 . ASP A 47 ? 0.9545 1.0931 1.2777 0.2565 0.1381 -0.0651 47 ASP A OD2 343 N N . GLY A 48 ? 0.9689 1.2369 1.2295 0.2202 0.1907 0.0066 48 GLY A N 344 C CA . GLY A 48 ? 1.0159 1.3231 1.2552 0.2150 0.2046 0.0132 48 GLY A CA 345 C C . GLY A 48 ? 1.0709 1.3696 1.2707 0.2124 0.2022 0.0039 48 GLY A C 346 O O . GLY A 48 ? 1.0888 1.4192 1.2667 0.2063 0.2121 0.0095 48 GLY A O 347 N N . LYS A 49 ? 1.1561 1.4985 1.0855 0.3345 0.2090 0.1798 49 LYS A N 348 C CA . LYS A 49 ? 1.1535 1.4662 1.0285 0.3479 0.1976 0.1615 49 LYS A CA 349 C C . LYS A 49 ? 1.0880 1.3806 0.9603 0.3314 0.1821 0.1605 49 LYS A C 350 O O . LYS A 49 ? 1.0266 1.3104 0.9289 0.3109 0.1652 0.1540 49 LYS A O 351 C CB . LYS A 49 ? 1.1647 1.4582 1.0225 0.3585 0.1817 0.1323 49 LYS A CB 352 N N . PRO A 50 ? 1.0666 1.3480 0.9020 0.3379 0.1847 0.1670 50 PRO A N 353 C CA . PRO A 50 ? 0.9248 1.1812 0.7530 0.3232 0.1669 0.1654 50 PRO A CA 354 C C . PRO A 50 ? 0.8636 1.0935 0.6634 0.3286 0.1423 0.1358 50 PRO A C 355 O O . PRO A 50 ? 0.9031 1.1293 0.6639 0.3503 0.1420 0.1212 50 PRO A O 356 C CB . PRO A 50 ? 0.9452 1.2046 0.7429 0.3338 0.1822 0.1861 50 PRO A CB 357 C CG . PRO A 50 ? 1.0095 1.2809 0.7753 0.3594 0.1951 0.1819 50 PRO A CG 358 C CD . PRO A 50 ? 1.0711 1.3605 0.8719 0.3581 0.2017 0.1774 50 PRO A CD 359 N N . VAL A 51 ? 0.8510 1.0629 0.6703 0.3092 0.1223 0.1267 51 VAL A N 360 C CA . VAL A 51 ? 0.7566 0.9451 0.5558 0.3120 0.0994 0.1004 51 VAL A CA 361 C C . VAL A 51 ? 0.7364 0.9059 0.5431 0.2947 0.0830 0.1000 51 VAL A C 362 O O . VAL A 51 ? 0.6423 0.8136 0.4793 0.2765 0.0863 0.1147 51 VAL A O 363 C CB . VAL A 51 ? 0.8603 1.0477 0.6803 0.3097 0.0915 0.0827 51 VAL A CB 364 C CG1 . VAL A 51 ? 0.7738 0.9501 0.6269 0.2860 0.0757 0.0789 51 VAL A CG1 365 C CG2 . VAL A 51 ? 0.9238 1.0965 0.7096 0.3278 0.0812 0.0574 51 VAL A CG2 366 N N . ASN A 52 ? 0.6729 0.8246 0.4531 0.3006 0.0655 0.0831 52 ASN A N 367 C CA . ASN A 52 ? 0.6559 0.7907 0.4475 0.2853 0.0495 0.0804 52 ASN A CA 368 C C . ASN A 52 ? 0.6157 0.7378 0.4234 0.2758 0.0318 0.0587 52 ASN A C 369 O O . ASN A 52 ? 0.6320 0.7453 0.4201 0.2856 0.0197 0.0389 52 ASN A O 370 C CB . ASN A 52 ? 0.7716 0.8980 0.5291 0.2963 0.0413 0.0802 52 ASN A CB 371 C CG . ASN A 52 ? 0.9045 1.0159 0.6771 0.2821 0.0274 0.0802 52 ASN A CG 372 O OD1 . ASN A 52 ? 0.9802 1.0804 0.7544 0.2788 0.0092 0.0615 52 ASN A OD1 373 N ND2 . ASN A 52 ? 0.9176 1.0284 0.7036 0.2738 0.0369 0.1015 52 ASN A ND2 374 N N . LEU A 53 ? 0.5380 0.6584 0.3807 0.2564 0.0302 0.0627 53 LEU A N 375 C CA . LEU A 53 ? 0.4749 0.5855 0.3356 0.2463 0.0166 0.0464 53 LEU A CA 376 C C . LEU A 53 ? 0.5356 0.6294 0.3999 0.2358 0.0017 0.0398 53 LEU A C 377 O O . LEU A 53 ? 0.6483 0.7390 0.5264 0.2238 0.0039 0.0509 53 LEU A O 378 C CB . LEU A 53 ? 0.5069 0.6281 0.4014 0.2324 0.0230 0.0542 53 LEU A CB 379 C CG . LEU A 53 ? 0.4624 0.5751 0.3760 0.2212 0.0104 0.0417 53 LEU A CG 380 C CD1 . LEU A 53 ? 0.5155 0.6249 0.4194 0.2344 0.0056 0.0262 53 LEU A CD1 381 C CD2 . LEU A 53 ? 0.5409 0.6659 0.4854 0.2062 0.0153 0.0521 53 LEU A CD2 382 N N . GLY A 54 ? 0.4984 0.5812 0.3523 0.2404 -0.0130 0.0215 54 GLY A N 383 C CA . GLY A 54 ? 0.4951 0.5650 0.3564 0.2312 -0.0269 0.0146 54 GLY A CA 384 C C . GLY A 54 ? 0.5253 0.5882 0.4104 0.2184 -0.0338 0.0052 54 GLY A C 385 O O . GLY A 54 ? 0.5152 0.5778 0.4017 0.2222 -0.0355 -0.0042 54 GLY A O 386 N N . LEU A 55 ? 0.4648 0.5216 0.3678 0.2042 -0.0369 0.0083 55 LEU A N 387 C CA . LEU A 55 ? 0.4670 0.5183 0.3907 0.1917 -0.0416 0.0021 55 LEU A CA 388 C C . LEU A 55 ? 0.4324 0.4730 0.3627 0.1857 -0.0524 -0.0056 55 LEU A C 389 O O . LEU A 55 ? 0.4115 0.4496 0.3434 0.1827 -0.0517 0.0002 55 LEU A O 390 C CB . LEU A 55 ? 0.3972 0.4538 0.3381 0.1786 -0.0328 0.0136 55 LEU A CB 391 C CG . LEU A 55 ? 0.4418 0.5134 0.3853 0.1820 -0.0224 0.0223 55 LEU A CG 392 C CD1 . LEU A 55 ? 0.4923 0.5703 0.4538 0.1676 -0.0156 0.0338 55 LEU A CD1 393 C CD2 . LEU A 55 ? 0.4199 0.4944 0.3668 0.1873 -0.0254 0.0142 55 LEU A CD2 394 N N . TRP A 56 ? 0.3766 0.4111 0.3133 0.1845 -0.0614 -0.0178 56 TRP A N 395 C CA . TRP A 56 ? 0.3783 0.4055 0.3269 0.1776 -0.0704 -0.0241 56 TRP A CA 396 C C . TRP A 56 ? 0.4077 0.4304 0.3750 0.1653 -0.0694 -0.0247 56 TRP A C 397 O O . TRP A 56 ? 0.3670 0.3880 0.3373 0.1659 -0.0701 -0.0282 56 TRP A O 398 C CB . TRP A 56 ? 0.4360 0.4593 0.3786 0.1851 -0.0834 -0.0381 56 TRP A CB 399 C CG . TRP A 56 ? 0.4286 0.4565 0.3496 0.1980 -0.0886 -0.0401 56 TRP A CG 400 C CD1 . TRP A 56 ? 0.4799 0.5148 0.3831 0.2063 -0.0805 -0.0294 56 TRP A CD1 401 C CD2 . TRP A 56 ? 0.4961 0.5226 0.4110 0.2039 -0.1039 -0.0534 56 TRP A CD2 402 N NE1 . TRP A 56 ? 0.4932 0.5312 0.3757 0.2185 -0.0894 -0.0343 56 TRP A NE1 403 C CE2 . TRP A 56 ? 0.4995 0.5331 0.3887 0.2171 -0.1050 -0.0501 56 TRP A CE2 404 C CE3 . TRP A 56 ? 0.4390 0.4596 0.3687 0.1987 -0.1170 -0.0672 56 TRP A CE3 405 C CZ2 . TRP A 56 ? 0.5028 0.5386 0.3779 0.2258 -0.1207 -0.0616 56 TRP A CZ2 406 C CZ3 . TRP A 56 ? 0.4465 0.4690 0.3665 0.2056 -0.1328 -0.0794 56 TRP A CZ3 407 C CH2 . TRP A 56 ? 0.5343 0.5649 0.4258 0.2194 -0.1354 -0.0772 56 TRP A CH2 408 N N . ASP A 57 ? 0.3456 0.3660 0.3240 0.1557 -0.0674 -0.0208 57 ASP A N 409 C CA . ASP A 57 ? 0.3632 0.3797 0.3559 0.1449 -0.0665 -0.0211 57 ASP A CA 410 C C . ASP A 57 ? 0.3050 0.3166 0.3094 0.1440 -0.0750 -0.0297 57 ASP A C 411 O O . ASP A 57 ? 0.3462 0.3584 0.3497 0.1497 -0.0827 -0.0356 57 ASP A O 412 C CB . ASP A 57 ? 0.3285 0.3437 0.3257 0.1363 -0.0597 -0.0151 57 ASP A CB 413 C CG . ASP A 57 ? 0.4198 0.4329 0.4242 0.1257 -0.0563 -0.0135 57 ASP A CG 414 O OD1 . ASP A 57 ? 0.3618 0.3746 0.3707 0.1247 -0.0591 -0.0151 57 ASP A OD1 415 O OD2 . ASP A 57 ? 0.3630 0.3737 0.3673 0.1190 -0.0506 -0.0106 57 ASP A OD2 416 N N . THR A 58 ? 0.3160 0.3236 0.3321 0.1364 -0.0740 -0.0293 58 THR A N 417 C CA . THR A 58 ? 0.3485 0.3514 0.3808 0.1328 -0.0801 -0.0350 58 THR A CA 418 C C . THR A 58 ? 0.3911 0.3935 0.4365 0.1225 -0.0735 -0.0292 58 THR A C 419 O O . THR A 58 ? 0.3279 0.3278 0.3902 0.1180 -0.0758 -0.0309 58 THR A O 420 C CB . THR A 58 ? 0.2983 0.2935 0.3339 0.1354 -0.0855 -0.0407 58 THR A CB 421 O OG1 . THR A 58 ? 0.3186 0.3131 0.3513 0.1334 -0.0789 -0.0331 58 THR A OG1 422 C CG2 . THR A 58 ? 0.3353 0.3294 0.3562 0.1471 -0.0922 -0.0497 58 THR A CG2 423 N N . ALA A 59 ? 0.3451 0.3499 0.3828 0.1186 -0.0650 -0.0226 59 ALA A N 424 C CA . ALA A 59 ? 0.3280 0.3320 0.3721 0.1104 -0.0577 -0.0183 59 ALA A CA 425 C C . ALA A 59 ? 0.3402 0.3460 0.4013 0.1093 -0.0575 -0.0205 59 ALA A C 426 O O . ALA A 59 ? 0.3451 0.3542 0.4086 0.1142 -0.0605 -0.0235 59 ALA A O 427 C CB . ALA A 59 ? 0.3365 0.3411 0.3674 0.1070 -0.0502 -0.0145 59 ALA A CB 428 N N . GLY A 60 ? 0.3412 0.3466 0.4158 0.1033 -0.0538 -0.0177 60 GLY A N 429 C CA . GLY A 60 ? 0.3495 0.3600 0.4457 0.1016 -0.0524 -0.0183 60 GLY A CA 430 C C . GLY A 60 ? 0.3634 0.3743 0.4811 0.1002 -0.0620 -0.0222 60 GLY A C 431 O O . GLY A 60 ? 0.3186 0.3352 0.4607 0.0958 -0.0605 -0.0208 60 GLY A O 432 N N . GLN A 61 ? 0.3481 0.3530 0.4585 0.1037 -0.0717 -0.0276 61 GLN A N 433 C CA . GLN A 61 ? 0.3581 0.3597 0.4876 0.1020 -0.0825 -0.0344 61 GLN A CA 434 C C . GLN A 61 ? 0.3931 0.3835 0.5304 0.0965 -0.0801 -0.0302 61 GLN A C 435 O O . GLN A 61 ? 0.3728 0.3560 0.5271 0.0939 -0.0886 -0.0362 61 GLN A O 436 C CB . GLN A 61 ? 0.3596 0.3591 0.4757 0.1107 -0.0951 -0.0454 61 GLN A CB 437 C CG . GLN A 61 ? 0.3827 0.3926 0.4903 0.1175 -0.0982 -0.0475 61 GLN A CG 438 C CD . GLN A 61 ? 0.4516 0.4594 0.5366 0.1278 -0.1068 -0.0550 61 GLN A CD 439 O OE1 . GLN A 61 ? 0.4301 0.4306 0.5134 0.1300 -0.1158 -0.0643 61 GLN A OE1 440 N NE2 . GLN A 61 ? 0.4050 0.4180 0.4719 0.1346 -0.1030 -0.0508 61 GLN A NE2 441 N N . GLU A 62 ? 0.3491 0.3373 0.4746 0.0946 -0.0694 -0.0198 62 GLU A N 442 C CA . GLU A 62 ? 0.3286 0.3059 0.4575 0.0919 -0.0672 -0.0132 62 GLU A CA 443 C C . GLU A 62 ? 0.3797 0.3523 0.5386 0.0835 -0.0662 -0.0094 62 GLU A C 444 O O . GLU A 62 ? 0.3991 0.3582 0.5664 0.0821 -0.0683 -0.0071 62 GLU A O 445 C CB . GLU A 62 ? 0.4003 0.3803 0.5106 0.0912 -0.0567 -0.0014 62 GLU A CB 446 C CG . GLU A 62 ? 0.4357 0.4199 0.5209 0.0975 -0.0580 -0.0037 62 GLU A CG 447 C CD . GLU A 62 ? 0.4857 0.4789 0.5610 0.0972 -0.0540 -0.0061 62 GLU A CD 448 O OE1 . GLU A 62 ? 0.3905 0.3874 0.4782 0.0947 -0.0515 -0.0080 62 GLU A OE1 449 O OE2 . GLU A 62 ? 0.3708 0.3674 0.4280 0.0995 -0.0530 -0.0057 62 GLU A OE2 450 N N . ASP A 63 ? 0.3119 0.2952 0.4894 0.0781 -0.0624 -0.0081 63 ASP A N 451 C CA . ASP A 63 ? 0.3550 0.3369 0.5657 0.0687 -0.0598 -0.0025 63 ASP A CA 452 C C . ASP A 63 ? 0.3618 0.3444 0.6010 0.0651 -0.0740 -0.0148 63 ASP A C 453 O O . ASP A 63 ? 0.4330 0.4170 0.7057 0.0555 -0.0726 -0.0107 63 ASP A O 454 C CB . ASP A 63 ? 0.4017 0.3974 0.6210 0.0642 -0.0445 0.0089 63 ASP A CB 455 C CG . ASP A 63 ? 0.5487 0.5426 0.7411 0.0658 -0.0310 0.0211 63 ASP A CG 456 O OD1 . ASP A 63 ? 0.5888 0.5711 0.7661 0.0679 -0.0331 0.0250 63 ASP A OD1 457 O OD2 . ASP A 63 ? 0.6808 0.6851 0.8669 0.0657 -0.0188 0.0265 63 ASP A OD2 458 N N . TYR A 64 ? 0.3706 0.3532 0.5969 0.0722 -0.0876 -0.0295 64 TYR A N 459 C CA . TYR A 64 ? 0.3506 0.3368 0.5994 0.0697 -0.1037 -0.0431 64 TYR A CA 460 C C . TYR A 64 ? 0.3499 0.3185 0.5863 0.0745 -0.1180 -0.0579 64 TYR A C 461 O O . TYR A 64 ? 0.4302 0.4002 0.6403 0.0848 -0.1253 -0.0675 64 TYR A O 462 C CB . TYR A 64 ? 0.4014 0.4076 0.6464 0.0753 -0.1076 -0.0473 64 TYR A CB 463 C CG . TYR A 64 ? 0.3776 0.3983 0.6318 0.0728 -0.0913 -0.0338 64 TYR A CG 464 C CD1 . TYR A 64 ? 0.3348 0.3650 0.6263 0.0630 -0.0854 -0.0264 64 TYR A CD1 465 C CD2 . TYR A 64 ? 0.3397 0.3633 0.5656 0.0800 -0.0807 -0.0284 64 TYR A CD2 466 C CE1 . TYR A 64 ? 0.3449 0.3881 0.6429 0.0624 -0.0683 -0.0144 64 TYR A CE1 467 C CE2 . TYR A 64 ? 0.3462 0.3802 0.5779 0.0786 -0.0650 -0.0182 64 TYR A CE2 468 C CZ . TYR A 64 ? 0.3453 0.3893 0.6118 0.0707 -0.0583 -0.0114 64 TYR A CZ 469 O OH . TYR A 64 ? 0.3352 0.3895 0.6061 0.0708 -0.0409 -0.0017 64 TYR A OH 470 N N . ASP A 65 ? 0.4411 0.3918 0.6961 0.0676 -0.1204 -0.0589 65 ASP A N 471 C CA . ASP A 65 ? 0.4495 0.3781 0.6898 0.0737 -0.1296 -0.0715 65 ASP A CA 472 C C . ASP A 65 ? 0.4620 0.3907 0.6992 0.0773 -0.1494 -0.0937 65 ASP A C 473 O O . ASP A 65 ? 0.5123 0.4268 0.7260 0.0870 -0.1564 -0.1064 65 ASP A O 474 C CB . ASP A 65 ? 0.5260 0.4320 0.7897 0.0654 -0.1266 -0.0664 65 ASP A CB 475 C CG . ASP A 65 ? 0.7726 0.6776 1.0795 0.0507 -0.1354 -0.0716 65 ASP A CG 476 O OD1 . ASP A 65 ? 0.7858 0.7125 1.1081 0.0462 -0.1416 -0.0754 65 ASP A OD1 477 O OD2 . ASP A 65 ? 0.8570 0.7395 1.1854 0.0434 -0.1361 -0.0710 65 ASP A OD2 478 N N . ARG A 66 ? 0.5111 0.4574 0.7709 0.0707 -0.1586 -0.0982 66 ARG A N 479 C CA . ARG A 66 ? 0.5017 0.4506 0.7579 0.0739 -0.1799 -0.1193 66 ARG A CA 480 C C . ARG A 66 ? 0.5499 0.5192 0.7778 0.0862 -0.1828 -0.1206 66 ARG A C 481 O O . ARG A 66 ? 0.5388 0.5105 0.7514 0.0930 -0.1995 -0.1368 66 ARG A O 482 C CB . ARG A 66 ? 0.5200 0.4768 0.8219 0.0590 -0.1926 -0.1252 66 ARG A CB 483 C CG . ARG A 66 ? 0.5733 0.5058 0.9046 0.0463 -0.1927 -0.1266 66 ARG A CG 484 C CD . ARG A 66 ? 0.7476 0.6868 1.1247 0.0308 -0.2093 -0.1367 66 ARG A CD 485 N NE . ARG A 66 ? 0.8050 0.7254 1.2199 0.0156 -0.2026 -0.1290 66 ARG A NE 486 C CZ . ARG A 66 ? 0.9558 0.8730 1.4152 -0.0008 -0.2162 -0.1382 66 ARG A CZ 487 N NH1 . ARG A 66 ? 1.0280 0.9614 1.4986 -0.0038 -0.2394 -0.1570 66 ARG A NH1 488 N NH2 . ARG A 66 ? 1.0179 0.9160 1.5113 -0.0144 -0.2072 -0.1278 66 ARG A NH2 489 N N . LEU A 67 ? 0.4524 0.4346 0.6721 0.0891 -0.1667 -0.1036 67 LEU A N 490 C CA . LEU A 67 ? 0.3760 0.3741 0.5699 0.1006 -0.1666 -0.1019 67 LEU A CA 491 C C . LEU A 67 ? 0.4893 0.4768 0.6425 0.1126 -0.1594 -0.1012 67 LEU A C 492 O O . LEU A 67 ? 0.4178 0.4115 0.5445 0.1238 -0.1644 -0.1058 67 LEU A O 493 C CB . LEU A 67 ? 0.3392 0.3551 0.5466 0.0979 -0.1532 -0.0858 67 LEU A CB 494 C CG . LEU A 67 ? 0.3373 0.3715 0.5860 0.0891 -0.1592 -0.0847 67 LEU A CG 495 C CD1 . LEU A 67 ? 0.4132 0.4632 0.6697 0.0901 -0.1431 -0.0694 67 LEU A CD1 496 C CD2 . LEU A 67 ? 0.3931 0.4391 0.6451 0.0933 -0.1818 -0.0990 67 LEU A CD2 497 N N . ARG A 68 ? 0.4285 0.4019 0.5784 0.1105 -0.1474 -0.0939 68 ARG A N 498 C CA . ARG A 68 ? 0.4280 0.3947 0.5454 0.1210 -0.1395 -0.0913 68 ARG A CA 499 C C . ARG A 68 ? 0.4585 0.4172 0.5517 0.1326 -0.1502 -0.1071 68 ARG A C 500 O O . ARG A 68 ? 0.4944 0.4589 0.5595 0.1436 -0.1464 -0.1057 68 ARG A O 501 C CB . ARG A 68 ? 0.5052 0.4585 0.6276 0.1171 -0.1282 -0.0817 68 ARG A CB 502 C CG . ARG A 68 ? 0.4074 0.3697 0.5348 0.1110 -0.1135 -0.0641 68 ARG A CG 503 C CD . ARG A 68 ? 0.3520 0.3040 0.4734 0.1114 -0.1037 -0.0540 68 ARG A CD 504 N NE . ARG A 68 ? 0.4485 0.3823 0.5880 0.1075 -0.1070 -0.0563 68 ARG A NE 505 C CZ . ARG A 68 ? 0.4315 0.3614 0.5972 0.0964 -0.1033 -0.0482 68 ARG A CZ 506 N NH1 . ARG A 68 ? 0.4791 0.4239 0.6545 0.0893 -0.0957 -0.0384 68 ARG A NH1 507 N NH2 . ARG A 68 ? 0.4481 0.3587 0.6312 0.0929 -0.1059 -0.0495 68 ARG A NH2 508 N N . PRO A 69 ? 0.4746 0.4189 0.5783 0.1302 -0.1628 -0.1226 69 PRO A N 509 C CA . PRO A 69 ? 0.4666 0.4008 0.5427 0.1427 -0.1717 -0.1396 69 PRO A CA 510 C C . PRO A 69 ? 0.5019 0.4514 0.5572 0.1511 -0.1832 -0.1481 69 PRO A C 511 O O . PRO A 69 ? 0.5311 0.4746 0.5576 0.1633 -0.1892 -0.1614 69 PRO A O 512 C CB . PRO A 69 ? 0.5323 0.4448 0.6288 0.1356 -0.1834 -0.1554 69 PRO A CB 513 C CG . PRO A 69 ? 0.5376 0.4454 0.6681 0.1217 -0.1735 -0.1402 69 PRO A CG 514 C CD . PRO A 69 ? 0.4551 0.3878 0.5941 0.1165 -0.1665 -0.1244 69 PRO A CD 515 N N . LEU A 70 ? 0.4659 0.4350 0.5342 0.1462 -0.1856 -0.1401 70 LEU A N 516 C CA . LEU A 70 ? 0.5414 0.5262 0.5892 0.1559 -0.1959 -0.1446 70 LEU A CA 517 C C . LEU A 70 ? 0.4907 0.4795 0.5017 0.1700 -0.1835 -0.1357 70 LEU A C 518 O O . LEU A 70 ? 0.5364 0.5324 0.5199 0.1819 -0.1907 -0.1410 70 LEU A O 519 C CB . LEU A 70 ? 0.4166 0.4217 0.4898 0.1489 -0.1996 -0.1356 70 LEU A CB 520 C CG . LEU A 70 ? 0.4352 0.4431 0.5481 0.1354 -0.2139 -0.1444 70 LEU A CG 521 C CD1 . LEU A 70 ? 0.4502 0.4812 0.5902 0.1306 -0.2131 -0.1321 70 LEU A CD1 522 C CD2 . LEU A 70 ? 0.4755 0.4800 0.5798 0.1384 -0.2380 -0.1675 70 LEU A CD2 523 N N . SER A 71 ? 0.4761 0.4614 0.4872 0.1683 -0.1654 -0.1216 71 SER A N 524 C CA . SER A 71 ? 0.4281 0.4180 0.4106 0.1793 -0.1526 -0.1119 71 SER A CA 525 C C . SER A 71 ? 0.4763 0.4548 0.4349 0.1905 -0.1499 -0.1208 71 SER A C 526 O O . SER A 71 ? 0.4555 0.4402 0.3902 0.2011 -0.1401 -0.1140 71 SER A O 527 C CB . SER A 71 ? 0.3775 0.3707 0.3714 0.1720 -0.1358 -0.0936 71 SER A CB 528 O OG . SER A 71 ? 0.4302 0.4342 0.4391 0.1656 -0.1348 -0.0847 71 SER A OG 529 N N . TYR A 72 ? 0.4765 0.4381 0.4435 0.1885 -0.1571 -0.1352 72 TYR A N 530 C CA . TYR A 72 ? 0.5488 0.4972 0.4989 0.1992 -0.1510 -0.1419 72 TYR A CA 531 C C . TYR A 72 ? 0.5620 0.5078 0.4763 0.2158 -0.1576 -0.1583 72 TYR A C 532 O O . TYR A 72 ? 0.5787 0.5235 0.4718 0.2288 -0.1462 -0.1569 72 TYR A O 533 C CB . TYR A 72 ? 0.5141 0.4411 0.4881 0.1915 -0.1540 -0.1496 72 TYR A CB 534 C CG . TYR A 72 ? 0.4410 0.3686 0.4434 0.1787 -0.1437 -0.1319 72 TYR A CG 535 C CD1 . TYR A 72 ? 0.4115 0.3566 0.4141 0.1755 -0.1321 -0.1129 72 TYR A CD1 536 C CD2 . TYR A 72 ? 0.5436 0.4529 0.5710 0.1701 -0.1455 -0.1341 72 TYR A CD2 537 C CE1 . TYR A 72 ? 0.4930 0.4388 0.5166 0.1647 -0.1234 -0.0981 72 TYR A CE1 538 C CE2 . TYR A 72 ? 0.5318 0.4425 0.5811 0.1597 -0.1356 -0.1166 72 TYR A CE2 539 C CZ . TYR A 72 ? 0.4819 0.4116 0.5274 0.1575 -0.1250 -0.0995 72 TYR A CZ 540 O OH . TYR A 72 ? 0.4333 0.3645 0.4958 0.1479 -0.1161 -0.0837 72 TYR A OH 541 N N . PRO A 73 ? 0.5803 0.5266 0.4875 0.2162 -0.1759 -0.1740 73 PRO A N 542 C CA . PRO A 73 ? 0.5997 0.5424 0.4675 0.2331 -0.1827 -0.1912 73 PRO A CA 543 C C . PRO A 73 ? 0.5653 0.5243 0.3991 0.2486 -0.1686 -0.1782 73 PRO A C 544 O O . PRO A 73 ? 0.5602 0.5367 0.3973 0.2457 -0.1625 -0.1594 73 PRO A O 545 C CB . PRO A 73 ? 0.5910 0.5389 0.4599 0.2285 -0.2062 -0.2055 73 PRO A CB 546 C CG . PRO A 73 ? 0.6243 0.5676 0.5395 0.2086 -0.2126 -0.2038 73 PRO A CG 547 C CD . PRO A 73 ? 0.5614 0.5110 0.4960 0.2020 -0.1920 -0.1786 73 PRO A CD 548 N N . GLN A 74 ? 0.6339 0.5857 0.4366 0.2653 -0.1624 -0.1881 74 GLN A N 549 C CA . GLN A 74 ? 0.6675 0.6342 0.4381 0.2814 -0.1463 -0.1758 74 GLN A CA 550 C C . GLN A 74 ? 0.6680 0.6459 0.4557 0.2780 -0.1243 -0.1504 74 GLN A C 551 O O . GLN A 74 ? 0.6084 0.6020 0.3778 0.2871 -0.1106 -0.1355 74 GLN A O 552 C CB . GLN A 74 ? 0.7125 0.6964 0.4596 0.2865 -0.1543 -0.1708 74 GLN A CB 553 C CG . GLN A 74 ? 0.8702 0.8482 0.5853 0.2966 -0.1741 -0.1956 74 GLN A CG 554 C CD . GLN A 74 ? 0.8651 0.8316 0.6067 0.2818 -0.1977 -0.2142 74 GLN A CD 555 O OE1 . GLN A 74 ? 0.7672 0.7446 0.5343 0.2690 -0.2072 -0.2058 74 GLN A OE1 556 N NE2 . GLN A 74 ? 0.7852 0.7292 0.5237 0.2832 -0.2062 -0.2390 74 GLN A NE2 557 N N . THR A 75 ? 0.6248 0.5952 0.4471 0.2647 -0.1211 -0.1450 75 THR A N 558 C CA . THR A 75 ? 0.5754 0.5559 0.4131 0.2618 -0.1027 -0.1243 75 THR A CA 559 C C . THR A 75 ? 0.5536 0.5341 0.3749 0.2786 -0.0887 -0.1258 75 THR A C 560 O O . THR A 75 ? 0.5947 0.5580 0.4088 0.2873 -0.0926 -0.1438 75 THR A O 561 C CB . THR A 75 ? 0.5103 0.4825 0.3853 0.2451 -0.1040 -0.1191 75 THR A CB 562 O OG1 . THR A 75 ? 0.4845 0.4594 0.3752 0.2308 -0.1142 -0.1165 75 THR A OG1 563 C CG2 . THR A 75 ? 0.4551 0.4390 0.3443 0.2420 -0.0878 -0.0992 75 THR A CG2 564 N N . ASP A 76 ? 0.5608 0.5606 0.3781 0.2834 -0.0720 -0.1072 76 ASP A N 565 C CA . ASP A 76 ? 0.5857 0.5907 0.3928 0.2995 -0.0562 -0.1055 76 ASP A CA 566 C C . ASP A 76 ? 0.5127 0.5194 0.3517 0.2941 -0.0475 -0.0951 76 ASP A C 567 O O . ASP A 76 ? 0.5299 0.5336 0.3679 0.3050 -0.0392 -0.0988 76 ASP A O 568 C CB . ASP A 76 ? 0.5600 0.5877 0.3478 0.3086 -0.0414 -0.0895 76 ASP A CB 569 C CG . ASP A 76 ? 0.6390 0.6666 0.3898 0.3181 -0.0487 -0.0978 76 ASP A CG 570 O OD1 . ASP A 76 ? 0.6777 0.6951 0.3995 0.3337 -0.0525 -0.1170 76 ASP A OD1 571 O OD2 . ASP A 76 ? 0.6495 0.6869 0.3993 0.3107 -0.0509 -0.0851 76 ASP A OD2 572 N N . VAL A 77 ? 0.5862 0.4111 0.2992 0.1813 -0.0606 -0.0741 77 VAL A N 573 C CA . VAL A 77 ? 0.5768 0.4205 0.3272 0.1820 -0.0436 -0.0720 77 VAL A CA 574 C C . VAL A 77 ? 0.5582 0.4133 0.3547 0.1746 -0.0536 -0.0688 77 VAL A C 575 O O . VAL A 77 ? 0.5210 0.3783 0.3254 0.1692 -0.0656 -0.0616 77 VAL A O 576 C CB . VAL A 77 ? 0.5306 0.3925 0.2791 0.1827 -0.0214 -0.0572 77 VAL A CB 577 C CG1 . VAL A 77 ? 0.5683 0.4357 0.3197 0.1743 -0.0284 -0.0405 77 VAL A CG1 578 C CG2 . VAL A 77 ? 0.5307 0.4113 0.3169 0.1840 -0.0064 -0.0554 77 VAL A CG2 579 N N . PHE A 78 ? 0.4987 0.3608 0.3245 0.1752 -0.0483 -0.0739 78 PHE A N 580 C CA . PHE A 78 ? 0.4451 0.3207 0.3119 0.1691 -0.0541 -0.0710 78 PHE A CA 581 C C . PHE A 78 ? 0.4179 0.3137 0.3075 0.1685 -0.0380 -0.0615 78 PHE A C 582 O O . PHE A 78 ? 0.4877 0.3865 0.3742 0.1734 -0.0234 -0.0611 78 PHE A O 583 C CB . PHE A 78 ? 0.4508 0.3197 0.3353 0.1680 -0.0623 -0.0812 78 PHE A CB 584 C CG . PHE A 78 ? 0.5168 0.3703 0.3942 0.1653 -0.0840 -0.0895 78 PHE A CG 585 C CD1 . PHE A 78 ? 0.4870 0.3504 0.3908 0.1592 -0.0975 -0.0867 78 PHE A CD1 586 C CD2 . PHE A 78 ? 0.5658 0.3953 0.4110 0.1695 -0.0916 -0.1012 78 PHE A CD2 587 C CE1 . PHE A 78 ? 0.4742 0.3257 0.3767 0.1565 -0.1192 -0.0935 78 PHE A CE1 588 C CE2 . PHE A 78 ? 0.5460 0.3602 0.3851 0.1662 -0.1150 -0.1091 78 PHE A CE2 589 C CZ . PHE A 78 ? 0.5215 0.3479 0.3918 0.1591 -0.1292 -0.1042 78 PHE A CZ 590 N N . LEU A 79 ? 0.4296 0.3386 0.3424 0.1636 -0.0416 -0.0549 79 LEU A N 591 C CA . LEU A 79 ? 0.3538 0.2806 0.2919 0.1623 -0.0312 -0.0489 79 LEU A CA 592 C C . LEU A 79 ? 0.3642 0.2976 0.3278 0.1597 -0.0362 -0.0532 79 LEU A C 593 O O . LEU A 79 ? 0.3805 0.3173 0.3557 0.1570 -0.0466 -0.0551 79 LEU A O 594 C CB . LEU A 79 ? 0.4179 0.3540 0.3631 0.1590 -0.0321 -0.0400 79 LEU A CB 595 C CG . LEU A 79 ? 0.4352 0.3658 0.3586 0.1585 -0.0297 -0.0316 79 LEU A CG 596 C CD1 . LEU A 79 ? 0.4947 0.4321 0.4324 0.1539 -0.0337 -0.0230 79 LEU A CD1 597 C CD2 . LEU A 79 ? 0.4730 0.4074 0.3848 0.1621 -0.0129 -0.0278 79 LEU A CD2 598 N N . ILE A 80 ? 0.3489 0.2845 0.3226 0.1607 -0.0289 -0.0539 80 ILE A N 599 C CA . ILE A 80 ? 0.3219 0.2673 0.3209 0.1566 -0.0312 -0.0535 80 ILE A CA 600 C C . ILE A 80 ? 0.3178 0.2819 0.3304 0.1529 -0.0222 -0.0446 80 ILE A C 601 O O . ILE A 80 ? 0.3584 0.3250 0.3696 0.1537 -0.0132 -0.0396 80 ILE A O 602 C CB . ILE A 80 ? 0.4024 0.3368 0.4056 0.1569 -0.0314 -0.0570 80 ILE A CB 603 C CG1 . ILE A 80 ? 0.3833 0.2973 0.3717 0.1574 -0.0435 -0.0671 80 ILE A CG1 604 C CG2 . ILE A 80 ? 0.4012 0.3482 0.4315 0.1511 -0.0313 -0.0517 80 ILE A CG2 605 C CD1 . ILE A 80 ? 0.4210 0.3183 0.4128 0.1579 -0.0470 -0.0728 80 ILE A CD1 606 N N . CYS A 81 ? 0.2765 0.2537 0.3022 0.1493 -0.0252 -0.0436 81 CYS A N 607 C CA . CYS A 81 ? 0.2982 0.2897 0.3305 0.1466 -0.0199 -0.0380 81 CYS A CA 608 C C . CYS A 81 ? 0.3762 0.3817 0.4240 0.1455 -0.0167 -0.0356 81 CYS A C 609 O O . CYS A 81 ? 0.3557 0.3659 0.4149 0.1462 -0.0198 -0.0386 81 CYS A O 610 C CB . CYS A 81 ? 0.3182 0.3125 0.3492 0.1458 -0.0258 -0.0404 81 CYS A CB 611 S SG . CYS A 81 ? 0.3708 0.3491 0.3834 0.1497 -0.0315 -0.0403 81 CYS A SG 612 N N . PHE A 82 ? 0.2887 0.3026 0.3375 0.1453 -0.0113 -0.0298 82 PHE A N 613 C CA . PHE A 82 ? 0.3075 0.3371 0.3653 0.1469 -0.0083 -0.0266 82 PHE A CA 614 C C . PHE A 82 ? 0.2880 0.3252 0.3397 0.1473 -0.0080 -0.0250 82 PHE A C 615 O O . PHE A 82 ? 0.3126 0.3431 0.3593 0.1462 -0.0090 -0.0228 82 PHE A O 616 C CB . PHE A 82 ? 0.2569 0.2849 0.3210 0.1448 -0.0045 -0.0182 82 PHE A CB 617 C CG . PHE A 82 ? 0.3040 0.3270 0.3646 0.1474 -0.0022 -0.0123 82 PHE A CG 618 C CD1 . PHE A 82 ? 0.2809 0.2899 0.3377 0.1490 -0.0015 -0.0144 82 PHE A CD1 619 C CD2 . PHE A 82 ? 0.2858 0.3196 0.3468 0.1466 -0.0008 -0.0044 82 PHE A CD2 620 C CE1 . PHE A 82 ? 0.3335 0.3417 0.3923 0.1501 0.0020 -0.0089 82 PHE A CE1 621 C CE2 . PHE A 82 ? 0.2655 0.2970 0.3285 0.1492 -0.0003 0.0017 82 PHE A CE2 622 C CZ . PHE A 82 ? 0.3318 0.3516 0.3964 0.1510 0.0018 -0.0005 82 PHE A CZ 623 N N . SER A 83 ? 0.2784 0.3303 0.3307 0.1489 -0.0064 -0.0261 83 SER A N 624 C CA . SER A 83 ? 0.3298 0.3871 0.3736 0.1504 -0.0086 -0.0263 83 SER A CA 625 C C . SER A 83 ? 0.3244 0.3850 0.3663 0.1480 -0.0065 -0.0150 83 SER A C 626 O O . SER A 83 ? 0.2810 0.3475 0.3259 0.1454 -0.0016 -0.0076 83 SER A O 627 C CB . SER A 83 ? 0.3018 0.3723 0.3418 0.1533 -0.0075 -0.0342 83 SER A CB 628 O OG . SER A 83 ? 0.2984 0.3747 0.3261 0.1542 -0.0092 -0.0335 83 SER A OG 629 N N . LEU A 84 ? 0.2579 0.3151 0.2975 0.1484 -0.0114 -0.0123 84 LEU A N 630 C CA . LEU A 84 ? 0.2512 0.3120 0.2918 0.1470 -0.0123 -0.0014 84 LEU A CA 631 C C . LEU A 84 ? 0.2560 0.3282 0.2847 0.1459 -0.0131 0.0017 84 LEU A C 632 O O . LEU A 84 ? 0.2848 0.3599 0.3129 0.1442 -0.0146 0.0129 84 LEU A O 633 C CB . LEU A 84 ? 0.3012 0.3592 0.3468 0.1471 -0.0187 0.0006 84 LEU A CB 634 C CG . LEU A 84 ? 0.3141 0.3642 0.3702 0.1484 -0.0146 0.0018 84 LEU A CG 635 C CD1 . LEU A 84 ? 0.3128 0.3635 0.3757 0.1470 -0.0197 0.0037 84 LEU A CD1 636 C CD2 . LEU A 84 ? 0.2913 0.3402 0.3569 0.1505 -0.0091 0.0101 84 LEU A CD2 637 N N . VAL A 85 ? 0.2848 0.3637 0.3030 0.1476 -0.0119 -0.0081 85 VAL A N 638 C CA . VAL A 85 ? 0.3471 0.4389 0.3494 0.1475 -0.0096 -0.0057 85 VAL A CA 639 C C . VAL A 85 ? 0.3034 0.4077 0.3077 0.1468 0.0020 -0.0052 85 VAL A C 640 O O . VAL A 85 ? 0.3511 0.4700 0.3408 0.1482 0.0073 -0.0067 85 VAL A O 641 C CB . VAL A 85 ? 0.3258 0.4185 0.3104 0.1516 -0.0175 -0.0181 85 VAL A CB 642 C CG1 . VAL A 85 ? 0.3518 0.4348 0.3385 0.1498 -0.0306 -0.0149 85 VAL A CG1 643 C CG2 . VAL A 85 ? 0.3009 0.3905 0.2885 0.1567 -0.0176 -0.0345 85 VAL A CG2 644 N N . SER A 86 ? 0.3116 0.4109 0.3341 0.1443 0.0058 -0.0025 86 SER A N 645 C CA . SER A 86 ? 0.2703 0.3816 0.3025 0.1409 0.0151 0.0018 86 SER A CA 646 C C . SER A 86 ? 0.3135 0.4153 0.3608 0.1346 0.0153 0.0148 86 SER A C 647 O O . SER A 86 ? 0.2951 0.3842 0.3555 0.1345 0.0125 0.0104 86 SER A O 648 C CB . SER A 86 ? 0.3368 0.4514 0.3802 0.1444 0.0165 -0.0115 86 SER A CB 649 O OG . SER A 86 ? 0.3069 0.4363 0.3654 0.1400 0.0247 -0.0059 86 SER A OG 650 N N . PRO A 87 ? 0.3052 0.4107 0.3491 0.1299 0.0172 0.0305 87 PRO A N 651 C CA . PRO A 87 ? 0.3402 0.4329 0.4000 0.1245 0.0154 0.0425 87 PRO A CA 652 C C . PRO A 87 ? 0.3089 0.4024 0.3881 0.1194 0.0185 0.0415 87 PRO A C 653 O O . PRO A 87 ? 0.3197 0.3950 0.4122 0.1176 0.0133 0.0425 87 PRO A O 654 C CB . PRO A 87 ? 0.3586 0.4587 0.4100 0.1196 0.0169 0.0611 87 PRO A CB 655 C CG . PRO A 87 ? 0.3577 0.4652 0.3857 0.1248 0.0143 0.0565 87 PRO A CG 656 C CD . PRO A 87 ? 0.3393 0.4557 0.3623 0.1300 0.0178 0.0377 87 PRO A CD 657 N N . ALA A 88 ? 0.2831 0.3977 0.3651 0.1178 0.0260 0.0390 88 ALA A N 658 C CA . ALA A 88 ? 0.2850 0.4039 0.3906 0.1124 0.0273 0.0383 88 ALA A CA 659 C C . ALA A 88 ? 0.3293 0.4302 0.4414 0.1170 0.0185 0.0226 88 ALA A C 660 O O . ALA A 88 ? 0.2710 0.3591 0.3993 0.1123 0.0126 0.0234 88 ALA A O 661 C CB . ALA A 88 ? 0.2748 0.4252 0.3853 0.1119 0.0387 0.0374 88 ALA A CB 662 N N . SER A 89 ? 0.2894 0.3877 0.3877 0.1256 0.0163 0.0091 89 SER A N 663 C CA . SER A 89 ? 0.2869 0.3685 0.3869 0.1297 0.0081 -0.0035 89 SER A CA 664 C C . SER A 89 ? 0.3111 0.3679 0.4074 0.1297 0.0026 -0.0013 89 SER A C 665 O O . SER A 89 ? 0.2716 0.3129 0.3709 0.1304 -0.0037 -0.0083 89 SER A O 666 C CB . SER A 89 ? 0.3113 0.3944 0.3980 0.1377 0.0063 -0.0156 89 SER A CB 667 O OG . SER A 89 ? 0.2723 0.3476 0.3433 0.1406 0.0051 -0.0138 89 SER A OG 668 N N . PHE A 90 ? 0.2498 0.3036 0.3395 0.1299 0.0045 0.0079 90 PHE A N 669 C CA . PHE A 90 ? 0.2635 0.2966 0.3527 0.1322 0.0009 0.0100 90 PHE A CA 670 C C . PHE A 90 ? 0.3432 0.3636 0.4471 0.1267 -0.0027 0.0148 90 PHE A C 671 O O . PHE A 90 ? 0.3215 0.3217 0.4260 0.1295 -0.0079 0.0071 90 PHE A O 672 C CB . PHE A 90 ? 0.2601 0.2967 0.3431 0.1342 0.0024 0.0196 90 PHE A CB 673 C CG . PHE A 90 ? 0.3405 0.3599 0.4277 0.1386 -0.0002 0.0226 90 PHE A CG 674 C CD1 . PHE A 90 ? 0.3424 0.3515 0.4257 0.1456 -0.0003 0.0129 90 PHE A CD1 675 C CD2 . PHE A 90 ? 0.3316 0.3467 0.4269 0.1364 -0.0019 0.0361 90 PHE A CD2 676 C CE1 . PHE A 90 ? 0.3123 0.3090 0.4012 0.1519 -0.0003 0.0147 90 PHE A CE1 677 C CE2 . PHE A 90 ? 0.3534 0.3529 0.4558 0.1428 -0.0045 0.0379 90 PHE A CE2 678 C CZ . PHE A 90 ? 0.3626 0.3544 0.4623 0.1512 -0.0028 0.0262 90 PHE A CZ 679 N N . GLU A 91 ? 0.3110 0.3422 0.4258 0.1186 -0.0004 0.0277 91 GLU A N 680 C CA . GLU A 91 ? 0.2865 0.3048 0.4195 0.1112 -0.0058 0.0339 91 GLU A CA 681 C C . GLU A 91 ? 0.3319 0.3444 0.4743 0.1090 -0.0120 0.0220 91 GLU A C 682 O O . GLU A 91 ? 0.3562 0.3467 0.5076 0.1066 -0.0212 0.0193 91 GLU A O 683 C CB . GLU A 91 ? 0.3348 0.3700 0.4795 0.1006 -0.0011 0.0528 91 GLU A CB 684 C CG . GLU A 91 ? 0.3943 0.4118 0.5602 0.0915 -0.0090 0.0627 91 GLU A CG 685 C CD . GLU A 91 ? 0.4716 0.4591 0.6343 0.0974 -0.0166 0.0630 91 GLU A CD 686 O OE1 . GLU A 91 ? 0.5154 0.5052 0.6672 0.1025 -0.0136 0.0702 91 GLU A OE1 687 O OE2 . GLU A 91 ? 0.5307 0.4924 0.7022 0.0981 -0.0263 0.0549 91 GLU A OE2 688 N N . ASN A 92 ? 0.2818 0.3123 0.4224 0.1106 -0.0090 0.0143 92 ASN A N 689 C CA . ASN A 92 ? 0.2746 0.3015 0.4258 0.1088 -0.0171 0.0040 92 ASN A CA 690 C C . ASN A 92 ? 0.3196 0.3195 0.4546 0.1160 -0.0260 -0.0103 92 ASN A C 691 O O . ASN A 92 ? 0.2927 0.2811 0.4332 0.1140 -0.0366 -0.0183 92 ASN A O 692 C CB . ASN A 92 ? 0.2834 0.3368 0.4392 0.1104 -0.0122 -0.0006 92 ASN A CB 693 C CG . ASN A 92 ? 0.3686 0.4485 0.5502 0.1013 -0.0063 0.0106 92 ASN A CG 694 O OD1 . ASN A 92 ? 0.4261 0.5014 0.6262 0.0913 -0.0097 0.0213 92 ASN A OD1 695 N ND2 . ASN A 92 ? 0.3465 0.4544 0.5305 0.1049 0.0029 0.0085 92 ASN A ND2 696 N N . VAL A 93 ? 0.3183 0.3090 0.4334 0.1243 -0.0219 -0.0128 93 VAL A N 697 C CA . VAL A 93 ? 0.3265 0.2928 0.4245 0.1316 -0.0269 -0.0241 93 VAL A CA 698 C C . VAL A 93 ? 0.3785 0.3201 0.4834 0.1291 -0.0360 -0.0265 93 VAL A C 699 O O . VAL A 93 ? 0.3662 0.2887 0.4618 0.1315 -0.0453 -0.0386 93 VAL A O 700 C CB . VAL A 93 ? 0.3214 0.2860 0.4046 0.1399 -0.0189 -0.0228 93 VAL A CB 701 C CG1 . VAL A 93 ? 0.3615 0.3030 0.4287 0.1482 -0.0209 -0.0333 93 VAL A CG1 702 C CG2 . VAL A 93 ? 0.2891 0.2719 0.3641 0.1422 -0.0136 -0.0228 93 VAL A CG2 703 N N . ARG A 94 ? 0.3180 0.2585 0.4381 0.1244 -0.0348 -0.0147 94 ARG A N 704 C CA . ARG A 94 ? 0.3827 0.2976 0.5138 0.1212 -0.0450 -0.0150 94 ARG A CA 705 C C . ARG A 94 ? 0.4480 0.3645 0.6022 0.1082 -0.0554 -0.0118 94 ARG A C 706 O O . ARG A 94 ? 0.4105 0.3015 0.5687 0.1061 -0.0693 -0.0203 94 ARG A O 707 C CB . ARG A 94 ? 0.3559 0.2680 0.4962 0.1209 -0.0410 -0.0007 94 ARG A CB 708 C CG . ARG A 94 ? 0.4485 0.3298 0.6001 0.1198 -0.0521 -0.0010 94 ARG A CG 709 C CD . ARG A 94 ? 0.4805 0.3554 0.6342 0.1263 -0.0479 0.0088 94 ARG A CD 710 N NE . ARG A 94 ? 0.5118 0.4140 0.6716 0.1198 -0.0395 0.0285 94 ARG A NE 711 C CZ . ARG A 94 ? 0.5615 0.4671 0.7203 0.1250 -0.0353 0.0390 94 ARG A CZ 712 N NH1 . ARG A 94 ? 0.4809 0.4107 0.6404 0.1184 -0.0294 0.0562 94 ARG A NH1 713 N NH2 . ARG A 94 ? 0.5018 0.3876 0.6587 0.1377 -0.0372 0.0320 94 ARG A NH2 714 N N . ALA A 95 ? 0.3577 0.3045 0.5282 0.0997 -0.0491 -0.0003 95 ALA A N 715 C CA . ALA A 95 ? 0.3922 0.3469 0.5924 0.0861 -0.0568 0.0067 95 ALA A CA 716 C C . ALA A 95 ? 0.3832 0.3420 0.5870 0.0857 -0.0660 -0.0063 95 ALA A C 717 O O . ALA A 95 ? 0.4511 0.4053 0.6786 0.0758 -0.0790 -0.0058 95 ALA A O 718 C CB . ALA A 95 ? 0.3649 0.3542 0.5828 0.0774 -0.0438 0.0262 95 ALA A CB 719 N N . LYS A 96 ? 0.3224 0.2889 0.5047 0.0958 -0.0613 -0.0168 96 LYS A N 720 C CA . LYS A 96 ? 0.3192 0.2939 0.5070 0.0957 -0.0698 -0.0261 96 LYS A CA 721 C C . LYS A 96 ? 0.3858 0.3378 0.5413 0.1062 -0.0775 -0.0426 96 LYS A C 722 O O . LYS A 96 ? 0.4186 0.3532 0.5725 0.1047 -0.0939 -0.0522 96 LYS A O 723 C CB . LYS A 96 ? 0.2956 0.3078 0.4946 0.0966 -0.0573 -0.0206 96 LYS A CB 724 C CG . LYS A 96 ? 0.2916 0.3167 0.5042 0.0973 -0.0661 -0.0285 96 LYS A CG 725 C CD . LYS A 96 ? 0.2721 0.3350 0.4987 0.0999 -0.0518 -0.0238 96 LYS A CD 726 C CE . LYS A 96 ? 0.3205 0.3998 0.5696 0.1014 -0.0606 -0.0305 96 LYS A CE 727 N NZ . LYS A 96 ? 0.2983 0.4163 0.5662 0.1050 -0.0456 -0.0270 96 LYS A NZ 728 N N . TRP A 97 ? 0.3289 0.2810 0.4581 0.1161 -0.0665 -0.0449 97 TRP A N 729 C CA . TRP A 97 ? 0.4246 0.3629 0.5246 0.1248 -0.0711 -0.0568 97 TRP A CA 730 C C . TRP A 97 ? 0.4913 0.3963 0.5656 0.1302 -0.0781 -0.0673 97 TRP A C 731 O O . TRP A 97 ? 0.4567 0.3455 0.5148 0.1320 -0.0911 -0.0779 97 TRP A O 732 C CB . TRP A 97 ? 0.3391 0.2915 0.4244 0.1318 -0.0574 -0.0539 97 TRP A CB 733 C CG . TRP A 97 ? 0.2882 0.2703 0.3938 0.1292 -0.0523 -0.0482 97 TRP A CG 734 C CD1 . TRP A 97 ? 0.3667 0.3691 0.4798 0.1287 -0.0395 -0.0396 97 TRP A CD1 735 C CD2 . TRP A 97 ? 0.3118 0.3061 0.4323 0.1280 -0.0605 -0.0519 97 TRP A CD2 736 N NE1 . TRP A 97 ? 0.3380 0.3641 0.4669 0.1283 -0.0376 -0.0394 97 TRP A NE1 737 C CE2 . TRP A 97 ? 0.3241 0.3468 0.4609 0.1282 -0.0500 -0.0467 97 TRP A CE2 738 C CE3 . TRP A 97 ? 0.3123 0.2963 0.4337 0.1275 -0.0767 -0.0595 97 TRP A CE3 739 C CZ2 . TRP A 97 ? 0.3397 0.3818 0.4965 0.1293 -0.0535 -0.0497 97 TRP A CZ2 740 C CZ3 . TRP A 97 ? 0.3613 0.3646 0.5047 0.1275 -0.0822 -0.0607 97 TRP A CZ3 741 C CH2 . TRP A 97 ? 0.3285 0.3611 0.4909 0.1291 -0.0698 -0.0562 97 TRP A CH2 742 N N . TYR A 98 ? 0.3853 0.2796 0.4547 0.1337 -0.0704 -0.0652 98 TYR A N 743 C CA . TYR A 98 ? 0.4014 0.2650 0.4468 0.1413 -0.0753 -0.0775 98 TYR A CA 744 C C . TYR A 98 ? 0.4518 0.2918 0.5022 0.1357 -0.0956 -0.0869 98 TYR A C 745 O O . TYR A 98 ? 0.4620 0.2797 0.4844 0.1414 -0.1056 -0.1013 98 TYR A O 746 C CB . TYR A 98 ? 0.4289 0.2863 0.4764 0.1468 -0.0646 -0.0733 98 TYR A CB 747 C CG . TYR A 98 ? 0.4820 0.3060 0.5131 0.1549 -0.0712 -0.0871 98 TYR A CG 748 C CD1 . TYR A 98 ? 0.5163 0.3271 0.5120 0.1667 -0.0682 -0.1007 98 TYR A CD1 749 C CD2 . TYR A 98 ? 0.5175 0.3225 0.5679 0.1510 -0.0803 -0.0865 98 TYR A CD2 750 C CE1 . TYR A 98 ? 0.5802 0.3660 0.5582 0.1720 -0.0712 -0.1132 98 TYR A CE1 751 C CE2 . TYR A 98 ? 0.6506 0.4218 0.6855 0.1600 -0.0875 -0.1018 98 TYR A CE2 752 C CZ . TYR A 98 ? 0.6447 0.4109 0.6421 0.1687 -0.0809 -0.1146 98 TYR A CZ 753 O OH . TYR A 98 ? 0.9079 0.6493 0.8875 0.1745 -0.0842 -0.1282 98 TYR A OH 754 N N . PRO A 99 ? 0.4210 0.2658 0.5063 0.1239 -0.1029 -0.0783 99 PRO A N 755 C CA . PRO A 99 ? 0.4482 0.2687 0.5422 0.1171 -0.1249 -0.0869 99 PRO A CA 756 C C . PRO A 99 ? 0.4771 0.2959 0.5611 0.1157 -0.1406 -0.0967 99 PRO A C 757 O O . PRO A 99 ? 0.4948 0.2835 0.5599 0.1177 -0.1582 -0.1116 99 PRO A O 758 C CB . PRO A 99 ? 0.4709 0.3075 0.6103 0.1022 -0.1267 -0.0703 99 PRO A CB 759 C CG . PRO A 99 ? 0.4308 0.2816 0.5729 0.1054 -0.1068 -0.0572 99 PRO A CG 760 C CD . PRO A 99 ? 0.3938 0.2613 0.5093 0.1163 -0.0922 -0.0604 99 PRO A CD 761 N N . GLU A 100 ? 0.4713 0.3202 0.5667 0.1132 -0.1358 -0.0894 100 GLU A N 762 C CA . GLU A 100 ? 0.5448 0.3928 0.6368 0.1114 -0.1533 -0.0967 100 GLU A CA 763 C C . GLU A 100 ? 0.5025 0.3340 0.5456 0.1234 -0.1537 -0.1080 100 GLU A C 764 O O . GLU A 100 ? 0.5183 0.3305 0.5422 0.1241 -0.1731 -0.1189 100 GLU A O 765 C CB . GLU A 100 ? 0.4678 0.3536 0.5940 0.1057 -0.1495 -0.0856 100 GLU A CB 766 C CG . GLU A 100 ? 0.5063 0.4123 0.6185 0.1142 -0.1330 -0.0819 100 GLU A CG 767 C CD . GLU A 100 ? 0.5025 0.4421 0.6497 0.1104 -0.1329 -0.0750 100 GLU A CD 768 O OE1 . GLU A 100 ? 0.4765 0.4332 0.6634 0.1006 -0.1352 -0.0679 100 GLU A OE1 769 O OE2 . GLU A 100 ? 0.4285 0.3773 0.5653 0.1174 -0.1307 -0.0765 100 GLU A OE2 770 N N . VAL A 101 ? 0.4749 0.3136 0.4974 0.1322 -0.1332 -0.1045 101 VAL A N 771 C CA . VAL A 101 ? 0.4969 0.3232 0.4744 0.1425 -0.1301 -0.1117 101 VAL A CA 772 C C . VAL A 101 ? 0.6130 0.4047 0.5559 0.1494 -0.1370 -0.1270 101 VAL A C 773 O O . VAL A 101 ? 0.6181 0.3919 0.5238 0.1543 -0.1473 -0.1370 101 VAL A O 774 C CB . VAL A 101 ? 0.4767 0.3204 0.4464 0.1489 -0.1065 -0.1029 101 VAL A CB 775 C CG1 . VAL A 101 ? 0.5196 0.3483 0.4440 0.1593 -0.0997 -0.1092 101 VAL A CG1 776 C CG2 . VAL A 101 ? 0.4990 0.3712 0.4898 0.1452 -0.1026 -0.0923 101 VAL A CG2 777 N N . ARG A 102 ? 0.5524 0.3331 0.5062 0.1503 -0.1324 -0.1291 102 ARG A N 778 C CA . ARG A 102 ? 0.6471 0.3938 0.5692 0.1596 -0.1370 -0.1458 102 ARG A CA 779 C C . ARG A 102 ? 0.7161 0.4358 0.6372 0.1534 -0.1658 -0.1587 102 ARG A C 780 O O . ARG A 102 ? 0.7165 0.4060 0.5975 0.1614 -0.1762 -0.1764 102 ARG A O 781 C CB . ARG A 102 ? 0.5523 0.2946 0.4901 0.1639 -0.1240 -0.1437 102 ARG A CB 782 C CG . ARG A 102 ? 0.6460 0.3622 0.5567 0.1713 -0.1247 -0.1580 102 ARG A CG 783 C CD . ARG A 102 ? 0.7499 0.4663 0.6124 0.1828 -0.1125 -0.1654 102 ARG A CD 784 N NE . ARG A 102 ? 0.6960 0.4370 0.5576 0.1895 -0.0854 -0.1548 102 ARG A NE 785 C CZ . ARG A 102 ? 0.7440 0.5011 0.5847 0.1937 -0.0739 -0.1494 102 ARG A CZ 786 N NH1 . ARG A 102 ? 0.6472 0.4267 0.4928 0.1981 -0.0512 -0.1391 102 ARG A NH1 787 N NH2 . ARG A 102 ? 0.6884 0.4384 0.5048 0.1930 -0.0868 -0.1536 102 ARG A NH2 788 N N . HIS A 103 ? 0.6843 0.4162 0.6493 0.1389 -0.1790 -0.1498 103 HIS A N 789 C CA . HIS A 103 ? 0.6497 0.3597 0.6223 0.1304 -0.2089 -0.1596 103 HIS A CA 790 C C . HIS A 103 ? 0.7110 0.4145 0.6503 0.1331 -0.2245 -0.1682 103 HIS A C 791 O O . HIS A 103 ? 0.7063 0.3776 0.6185 0.1348 -0.2468 -0.1849 103 HIS A O 792 C CB . HIS A 103 ? 0.6777 0.4099 0.7106 0.1133 -0.2171 -0.1448 103 HIS A CB 793 C CG . HIS A 103 ? 0.8487 0.5628 0.8982 0.1024 -0.2494 -0.1525 103 HIS A CG 794 N ND1 . HIS A 103 ? 0.9258 0.6599 0.9988 0.0937 -0.2644 -0.1474 103 HIS A ND1 795 C CD2 . HIS A 103 ? 0.9220 0.5986 0.9695 0.0990 -0.2716 -0.1658 103 HIS A CD2 796 C CE1 . HIS A 103 ? 0.9770 0.6889 1.0635 0.0843 -0.2947 -0.1559 103 HIS A CE1 797 N NE2 . HIS A 103 ? 0.9772 0.6525 1.0474 0.0868 -0.3002 -0.1676 103 HIS A NE2 798 N N . HIS A 104 ? 0.6716 0.4035 0.6116 0.1338 -0.2145 -0.1570 104 HIS A N 799 C CA . HIS A 104 ? 0.7415 0.4683 0.6531 0.1356 -0.2307 -0.1616 104 HIS A CA 800 C C . HIS A 104 ? 0.7598 0.4694 0.6077 0.1494 -0.2207 -0.1699 104 HIS A C 801 O O . HIS A 104 ? 0.7477 0.4385 0.5567 0.1523 -0.2381 -0.1786 104 HIS A O 802 C CB . HIS A 104 ? 0.6507 0.4131 0.5943 0.1306 -0.2272 -0.1459 104 HIS A CB 803 C CG . HIS A 104 ? 0.7311 0.5119 0.7332 0.1176 -0.2416 -0.1394 104 HIS A CG 804 N ND1 . HIS A 104 ? 0.7055 0.5151 0.7550 0.1112 -0.2255 -0.1264 104 HIS A ND1 805 C CD2 . HIS A 104 ? 0.6846 0.4612 0.7065 0.1095 -0.2706 -0.1430 104 HIS A CD2 806 C CE1 . HIS A 104 ? 0.6385 0.4630 0.7352 0.0997 -0.2413 -0.1217 104 HIS A CE1 807 N NE2 . HIS A 104 ? 0.7227 0.5281 0.8068 0.0983 -0.2695 -0.1316 104 HIS A NE2 808 N N . CYS A 105 ? 0.6362 0.3533 0.4739 0.1576 -0.1928 -0.1662 105 CYS A N 809 C CA . CYS A 105 ? 0.6604 0.3697 0.4445 0.1703 -0.1774 -0.1703 105 CYS A CA 810 C C . CYS A 105 ? 0.6964 0.3927 0.4665 0.1810 -0.1599 -0.1798 105 CYS A C 811 O O . CYS A 105 ? 0.7035 0.4190 0.4816 0.1859 -0.1345 -0.1704 105 CYS A O 812 C CB . CYS A 105 ? 0.6220 0.3616 0.4117 0.1703 -0.1588 -0.1524 105 CYS A CB 813 S SG . CYS A 105 ? 0.6524 0.4084 0.4638 0.1606 -0.1783 -0.1411 105 CYS A SG 814 N N . PRO A 106 ? 0.7174 0.3899 0.4749 0.1813 -0.1722 -0.1929 106 PRO A N 815 C CA . PRO A 106 ? 0.7307 0.3973 0.4889 0.1873 -0.1573 -0.1978 106 PRO A CA 816 C C . PRO A 106 ? 0.8327 0.5107 0.5600 0.2000 -0.1283 -0.1961 106 PRO A C 817 O O . PRO A 106 ? 0.8167 0.5020 0.5612 0.2041 -0.1108 -0.1940 106 PRO A O 818 C CB . PRO A 106 ? 0.8160 0.4522 0.5557 0.1863 -0.1803 -0.2139 106 PRO A CB 819 C CG . PRO A 106 ? 0.9039 0.5329 0.6158 0.1834 -0.2006 -0.2165 106 PRO A CG 820 C CD . PRO A 106 ? 0.7583 0.4086 0.5005 0.1760 -0.2026 -0.2033 106 PRO A CD 821 N N . ASN A 107 ? 0.8490 0.5294 0.5342 0.2054 -0.1236 -0.1954 107 ASN A N 822 C CA . ASN A 107 ? 0.9059 0.5976 0.5625 0.2168 -0.0961 -0.1936 107 ASN A CA 823 C C . ASN A 107 ? 0.8231 0.5420 0.4837 0.2179 -0.0767 -0.1768 107 ASN A C 824 O O . ASN A 107 ? 0.7895 0.5214 0.4298 0.2259 -0.0537 -0.1725 107 ASN A O 825 C CB . ASN A 107 ? 0.9398 0.6141 0.5394 0.2235 -0.1007 -0.2045 107 ASN A CB 826 C CG . ASN A 107 ? 1.0945 0.7396 0.6863 0.2231 -0.1219 -0.2223 107 ASN A CG 827 O OD1 . ASN A 107 ? 1.0699 0.7083 0.6823 0.2258 -0.1183 -0.2301 107 ASN A OD1 828 N ND2 . ASN A 107 ? 1.1998 0.8265 0.7627 0.2195 -0.1459 -0.2283 107 ASN A ND2 829 N N . THR A 108 ? 0.6909 0.4190 0.3798 0.2099 -0.0858 -0.1674 108 THR A N 830 C CA . THR A 108 ? 0.6597 0.4118 0.3519 0.2088 -0.0720 -0.1508 108 THR A CA 831 C C . THR A 108 ? 0.6191 0.3968 0.3493 0.2098 -0.0494 -0.1390 108 THR A C 832 O O . THR A 108 ? 0.6712 0.4529 0.4418 0.2054 -0.0525 -0.1379 108 THR A O 833 C CB . THR A 108 ? 0.6332 0.3931 0.3483 0.1953 -0.0915 -0.1403 108 THR A CB 834 O OG1 . THR A 108 ? 0.6964 0.4329 0.3794 0.1940 -0.1157 -0.1502 108 THR A OG1 835 C CG2 . THR A 108 ? 0.6196 0.4044 0.3407 0.1914 -0.0792 -0.1207 108 THR A CG2 836 N N . PRO A 109 ? 0.6372 0.4336 0.3554 0.2145 -0.0275 -0.1285 109 PRO A N 837 C CA . PRO A 109 ? 0.5823 0.4033 0.3373 0.2153 -0.0083 -0.1173 109 PRO A CA 838 C C . PRO A 109 ? 0.6159 0.4554 0.4133 0.2027 -0.0142 -0.1029 109 PRO A C 839 O O . PRO A 109 ? 0.5662 0.4087 0.3633 0.1942 -0.0258 -0.0958 109 PRO A O 840 C CB . PRO A 109 ? 0.6581 0.4958 0.3904 0.2209 0.0136 -0.1077 109 PRO A CB 841 C CG . PRO A 109 ? 0.7974 0.6218 0.4836 0.2191 0.0039 -0.1085 109 PRO A CG 842 C CD . PRO A 109 ? 0.6986 0.4926 0.3674 0.2207 -0.0183 -0.1278 109 PRO A CD 843 N N . ILE A 110 ? 0.5418 0.3931 0.3745 0.2029 -0.0064 -0.0989 110 ILE A N 844 C CA . ILE A 110 ? 0.4867 0.3562 0.3575 0.1929 -0.0097 -0.0868 110 ILE A CA 845 C C . ILE A 110 ? 0.4775 0.3709 0.3669 0.1941 0.0076 -0.0740 110 ILE A C 846 O O . ILE A 110 ? 0.5157 0.4146 0.4112 0.1980 0.0200 -0.0737 110 ILE A O 847 C CB . ILE A 110 ? 0.4928 0.3561 0.3918 0.1879 -0.0195 -0.0906 110 ILE A CB 848 C CG1 . ILE A 110 ? 0.5910 0.4337 0.4813 0.1845 -0.0402 -0.1013 110 ILE A CG1 849 C CG2 . ILE A 110 ? 0.4747 0.3602 0.4089 0.1793 -0.0177 -0.0774 110 ILE A CG2 850 C CD1 . ILE A 110 ? 0.5571 0.3890 0.4727 0.1805 -0.0503 -0.1057 110 ILE A CD1 851 N N . ILE A 111 ? 0.4575 0.3669 0.3590 0.1862 0.0064 -0.0621 111 ILE A N 852 C CA . ILE A 111 ? 0.4816 0.4128 0.4065 0.1847 0.0173 -0.0500 111 ILE A CA 853 C C . ILE A 111 ? 0.3984 0.3381 0.3527 0.1768 0.0093 -0.0462 111 ILE A C 854 O O . ILE A 111 ? 0.3538 0.2921 0.3107 0.1715 -0.0019 -0.0470 111 ILE A O 855 C CB . ILE A 111 ? 0.4759 0.4181 0.3930 0.1806 0.0216 -0.0387 111 ILE A CB 856 C CG1 . ILE A 111 ? 0.5902 0.5281 0.4764 0.1873 0.0329 -0.0397 111 ILE A CG1 857 C CG2 . ILE A 111 ? 0.4344 0.3981 0.3796 0.1772 0.0285 -0.0266 111 ILE A CG2 858 C CD1 . ILE A 111 ? 0.6517 0.6061 0.5379 0.1836 0.0431 -0.0242 111 ILE A CD1 859 N N . LEU A 112 ? 0.3777 0.3275 0.3540 0.1734 0.0149 -0.0413 112 LEU A N 860 C CA . LEU A 112 ? 0.4049 0.3645 0.4040 0.1650 0.0095 -0.0358 112 LEU A CA 861 C C . LEU A 112 ? 0.3345 0.3114 0.3436 0.1616 0.0116 -0.0265 112 LEU A C 862 O O . LEU A 112 ? 0.3365 0.3230 0.3521 0.1640 0.0195 -0.0203 112 LEU A O 863 C CB . LEU A 112 ? 0.3494 0.3076 0.3646 0.1647 0.0118 -0.0344 112 LEU A CB 864 C CG . LEU A 112 ? 0.2967 0.2641 0.3309 0.1589 0.0073 -0.0276 112 LEU A CG 865 C CD1 . LEU A 112 ? 0.3461 0.3102 0.3805 0.1559 -0.0016 -0.0316 112 LEU A CD1 866 C CD2 . LEU A 112 ? 0.3055 0.2696 0.3549 0.1613 0.0091 -0.0236 112 LEU A CD2 867 N N . VAL A 113 ? 0.2979 0.2789 0.3102 0.1567 0.0038 -0.0262 113 VAL A N 868 C CA . VAL A 113 ? 0.3182 0.3106 0.3372 0.1543 0.0022 -0.0202 113 VAL A CA 869 C C . VAL A 113 ? 0.3477 0.3502 0.3801 0.1492 -0.0013 -0.0184 113 VAL A C 870 O O . VAL A 113 ? 0.3005 0.3028 0.3341 0.1470 -0.0057 -0.0228 113 VAL A O 871 C CB . VAL A 113 ? 0.3397 0.3262 0.3482 0.1555 -0.0051 -0.0227 113 VAL A CB 872 C CG1 . VAL A 113 ? 0.2976 0.2921 0.3148 0.1527 -0.0097 -0.0178 113 VAL A CG1 873 C CG2 . VAL A 113 ? 0.3642 0.3407 0.3536 0.1590 -0.0012 -0.0222 113 VAL A CG2 874 N N . GLY A 114 ? 0.2802 0.2930 0.3224 0.1489 0.0006 -0.0117 114 GLY A N 875 C CA . GLY A 114 ? 0.3316 0.3536 0.3797 0.1470 -0.0039 -0.0103 114 GLY A CA 876 C C . GLY A 114 ? 0.3330 0.3578 0.3793 0.1467 -0.0110 -0.0125 114 GLY A C 877 O O . GLY A 114 ? 0.3061 0.3325 0.3566 0.1481 -0.0127 -0.0079 114 GLY A O 878 N N . THR A 115 ? 0.2953 0.3211 0.3378 0.1461 -0.0156 -0.0195 115 THR A N 879 C CA . THR A 115 ? 0.2893 0.3134 0.3297 0.1469 -0.0243 -0.0249 115 THR A CA 880 C C . THR A 115 ? 0.3323 0.3653 0.3722 0.1495 -0.0292 -0.0272 115 THR A C 881 O O . THR A 115 ? 0.2887 0.3306 0.3279 0.1493 -0.0252 -0.0231 115 THR A O 882 C CB . THR A 115 ? 0.3253 0.3447 0.3625 0.1463 -0.0272 -0.0336 115 THR A CB 883 O OG1 . THR A 115 ? 0.3270 0.3568 0.3659 0.1473 -0.0230 -0.0372 115 THR A OG1 884 C CG2 . THR A 115 ? 0.3000 0.3091 0.3339 0.1451 -0.0262 -0.0325 115 THR A CG2 885 N N . LYS A 116 ? 0.2962 0.3241 0.3341 0.1496 -0.0389 -0.0334 116 LYS A N 886 C CA . LYS A 116 ? 0.2977 0.3299 0.3298 0.1504 -0.0459 -0.0384 116 LYS A CA 887 C C . LYS A 116 ? 0.3186 0.3569 0.3538 0.1464 -0.0479 -0.0283 116 LYS A C 888 O O . LYS A 116 ? 0.3471 0.3930 0.3735 0.1473 -0.0494 -0.0289 116 LYS A O 889 C CB . LYS A 116 ? 0.3101 0.3524 0.3327 0.1555 -0.0404 -0.0467 116 LYS A CB 890 C CG . LYS A 116 ? 0.3217 0.3620 0.3476 0.1603 -0.0386 -0.0563 116 LYS A CG 891 C CD . LYS A 116 ? 0.3031 0.3575 0.3230 0.1665 -0.0332 -0.0660 116 LYS A CD 892 C CE . LYS A 116 ? 0.3848 0.4411 0.4137 0.1652 -0.0290 -0.0707 116 LYS A CE 893 N NZ . LYS A 116 ? 0.3489 0.4244 0.3762 0.1720 -0.0209 -0.0787 116 LYS A NZ 894 N N . LEU A 117 ? 0.3190 0.3554 0.3670 0.1423 -0.0480 -0.0184 117 LEU A N 895 C CA . LEU A 117 ? 0.3469 0.3914 0.4055 0.1390 -0.0503 -0.0076 117 LEU A CA 896 C C . LEU A 117 ? 0.3517 0.3959 0.4060 0.1367 -0.0654 -0.0114 117 LEU A C 897 O O . LEU A 117 ? 0.3154 0.3678 0.3697 0.1360 -0.0691 -0.0059 117 LEU A O 898 C CB . LEU A 117 ? 0.3226 0.3677 0.3985 0.1354 -0.0472 0.0026 117 LEU A CB 899 C CG . LEU A 117 ? 0.3055 0.3623 0.4017 0.1320 -0.0494 0.0150 117 LEU A CG 900 C CD1 . LEU A 117 ? 0.3255 0.3919 0.4254 0.1365 -0.0421 0.0207 117 LEU A CD1 901 C CD2 . LEU A 117 ? 0.3485 0.4081 0.4608 0.1287 -0.0430 0.0241 117 LEU A CD2 902 N N . ASP A 118 ? 0.3184 0.3511 0.3679 0.1361 -0.0760 -0.0216 118 ASP A N 903 C CA . ASP A 118 ? 0.3580 0.3859 0.4007 0.1346 -0.0932 -0.0286 118 ASP A CA 904 C C . ASP A 118 ? 0.4072 0.4417 0.4268 0.1399 -0.0932 -0.0359 118 ASP A C 905 O O . ASP A 118 ? 0.3969 0.4299 0.4077 0.1385 -0.1071 -0.0391 118 ASP A O 906 C CB . ASP A 118 ? 0.3653 0.3755 0.4055 0.1351 -0.1049 -0.0411 118 ASP A CB 907 C CG . ASP A 118 ? 0.4290 0.4356 0.4559 0.1438 -0.0968 -0.0541 118 ASP A CG 908 O OD1 . ASP A 118 ? 0.3654 0.3729 0.3988 0.1445 -0.0857 -0.0493 118 ASP A OD1 909 O OD2 . ASP A 118 ? 0.3933 0.3970 0.4032 0.1506 -0.1017 -0.0694 118 ASP A OD2 910 N N . LEU A 119 ? 0.3486 0.3907 0.3578 0.1452 -0.0782 -0.0377 119 LEU A N 911 C CA . LEU A 119 ? 0.3313 0.3820 0.3171 0.1495 -0.0755 -0.0424 119 LEU A CA 912 C C . LEU A 119 ? 0.3578 0.4200 0.3435 0.1466 -0.0716 -0.0267 119 LEU A C 913 O O . LEU A 119 ? 0.4059 0.4752 0.3701 0.1485 -0.0712 -0.0269 119 LEU A O 914 C CB . LEU A 119 ? 0.3828 0.4388 0.3606 0.1558 -0.0616 -0.0511 119 LEU A CB 915 C CG . LEU A 119 ? 0.3811 0.4271 0.3557 0.1620 -0.0667 -0.0692 119 LEU A CG 916 C CD1 . LEU A 119 ? 0.4489 0.5058 0.4198 0.1691 -0.0524 -0.0769 119 LEU A CD1 917 C CD2 . LEU A 119 ? 0.3847 0.4220 0.3415 0.1650 -0.0823 -0.0825 119 LEU A CD2 918 N N . ARG A 120 ? 0.3705 0.4344 0.3789 0.1427 -0.0688 -0.0130 120 ARG A N 919 C CA . ARG A 120 ? 0.3566 0.4292 0.3681 0.1417 -0.0650 0.0018 120 ARG A CA 920 C C . ARG A 120 ? 0.4164 0.4922 0.4182 0.1397 -0.0803 0.0064 120 ARG A C 921 O O . ARG A 120 ? 0.3805 0.4627 0.3708 0.1400 -0.0794 0.0156 120 ARG A O 922 C CB . ARG A 120 ? 0.2888 0.3621 0.3281 0.1406 -0.0586 0.0130 120 ARG A CB 923 C CG . ARG A 120 ? 0.3068 0.3862 0.3530 0.1413 -0.0562 0.0275 120 ARG A CG 924 C CD . ARG A 120 ? 0.3170 0.3944 0.3841 0.1439 -0.0442 0.0330 120 ARG A CD 925 N NE . ARG A 120 ? 0.3815 0.4609 0.4709 0.1438 -0.0448 0.0350 120 ARG A NE 926 C CZ . ARG A 120 ? 0.3814 0.4589 0.4843 0.1472 -0.0335 0.0360 120 ARG A CZ 927 N NH1 . ARG A 120 ? 0.2776 0.3480 0.3745 0.1506 -0.0236 0.0337 120 ARG A NH1 928 N NH2 . ARG A 120 ? 0.2930 0.3762 0.4151 0.1469 -0.0321 0.0394 120 ARG A NH2 929 N N . ASP A 121 ? 0.3854 0.4557 0.3910 0.1370 -0.0963 0.0007 121 ASP A N 930 C CA . ASP A 121 ? 0.4318 0.5030 0.4270 0.1346 -0.1151 0.0029 121 ASP A CA 931 C C . ASP A 121 ? 0.5592 0.6221 0.5208 0.1373 -0.1255 -0.0152 121 ASP A C 932 O O . ASP A 121 ? 0.6094 0.6675 0.5621 0.1349 -0.1459 -0.0184 121 ASP A O 933 C CB . ASP A 121 ? 0.5502 0.6219 0.5771 0.1285 -0.1295 0.0105 121 ASP A CB 934 C CG . ASP A 121 ? 0.6842 0.7674 0.7434 0.1280 -0.1207 0.0283 121 ASP A CG 935 O OD1 . ASP A 121 ? 0.6646 0.7533 0.7188 0.1313 -0.1133 0.0374 121 ASP A OD1 936 O OD2 . ASP A 121 ? 0.6354 0.7221 0.7259 0.1245 -0.1214 0.0335 121 ASP A OD2 937 N N . ASP A 122 ? 0.5397 0.6009 0.4840 0.1432 -0.1126 -0.0280 122 ASP A N 938 C CA . ASP A 122 ? 0.5840 0.6385 0.4959 0.1490 -0.1194 -0.0478 122 ASP A CA 939 C C . ASP A 122 ? 0.5700 0.6349 0.4453 0.1526 -0.1155 -0.0462 122 ASP A C 940 O O . ASP A 122 ? 0.5265 0.6042 0.3980 0.1538 -0.0969 -0.0371 122 ASP A O 941 C CB . ASP A 122 ? 0.5578 0.6085 0.4710 0.1552 -0.1069 -0.0624 122 ASP A CB 942 C CG . ASP A 122 ? 0.6152 0.6603 0.4967 0.1644 -0.1114 -0.0851 122 ASP A CG 943 O OD1 . ASP A 122 ? 0.5974 0.6258 0.4732 0.1645 -0.1317 -0.0978 122 ASP A OD1 944 O OD2 . ASP A 122 ? 0.5899 0.6475 0.4536 0.1716 -0.0946 -0.0905 122 ASP A OD2 945 N N . LYS A 123 ? 0.5785 0.6372 0.4259 0.1536 -0.1339 -0.0546 123 LYS A N 946 C CA . LYS A 123 ? 0.5126 0.5809 0.3209 0.1558 -0.1329 -0.0499 123 LYS A CA 947 C C . LYS A 123 ? 0.5956 0.6773 0.3788 0.1635 -0.1087 -0.0560 123 LYS A C 948 O O . LYS A 123 ? 0.5969 0.6934 0.3698 0.1616 -0.0955 -0.0394 123 LYS A O 949 C CB . LYS A 123 ? 0.5834 0.6393 0.3598 0.1572 -0.1584 -0.0636 123 LYS A CB 950 N N . ASP A 124 ? 0.6425 0.7198 0.4186 0.1720 -0.1035 -0.0786 124 ASP A N 951 C CA . ASP A 124 ? 0.6624 0.7561 0.4182 0.1806 -0.0804 -0.0863 124 ASP A CA 952 C C . ASP A 124 ? 0.6638 0.7727 0.4500 0.1767 -0.0582 -0.0698 124 ASP A C 953 O O . ASP A 124 ? 0.5528 0.6814 0.3262 0.1776 -0.0394 -0.0614 124 ASP A O 954 C CB . ASP A 124 ? 0.7735 0.8580 0.5222 0.1924 -0.0816 -0.1155 124 ASP A CB 955 C CG . ASP A 124 ? 0.9282 1.0009 0.6333 0.1999 -0.0988 -0.1360 124 ASP A CG 956 O OD1 . ASP A 124 ? 0.9311 1.0105 0.6020 0.1979 -0.1024 -0.1277 124 ASP A OD1 957 O OD2 . ASP A 124 ? 1.0394 1.0943 0.7432 0.2079 -0.1101 -0.1606 124 ASP A OD2 958 N N . THR A 125 ? 0.5347 0.6342 0.3605 0.1718 -0.0609 -0.0652 125 THR A N 959 C CA . THR A 125 ? 0.4652 0.5741 0.3199 0.1677 -0.0439 -0.0512 125 THR A CA 960 C C . THR A 125 ? 0.5101 0.6285 0.3639 0.1602 -0.0390 -0.0266 125 THR A C 961 O O . THR A 125 ? 0.4442 0.5768 0.3012 0.1584 -0.0222 -0.0161 125 THR A O 962 C CB . THR A 125 ? 0.5133 0.6082 0.4046 0.1640 -0.0498 -0.0504 125 THR A CB 963 O OG1 . THR A 125 ? 0.4875 0.5707 0.3808 0.1701 -0.0568 -0.0709 125 THR A OG1 964 C CG2 . THR A 125 ? 0.4226 0.5248 0.3390 0.1610 -0.0338 -0.0393 125 THR A CG2 965 N N . ILE A 126 ? 0.4932 0.6033 0.3454 0.1554 -0.0554 -0.0167 126 ILE A N 966 C CA . ILE A 126 ? 0.5217 0.6371 0.3753 0.1492 -0.0550 0.0070 126 ILE A CA 967 C C . ILE A 126 ? 0.5136 0.6435 0.3306 0.1498 -0.0458 0.0138 126 ILE A C 968 O O . ILE A 126 ? 0.5675 0.7067 0.3894 0.1451 -0.0340 0.0326 126 ILE A O 969 C CB . ILE A 126 ? 0.5040 0.6095 0.3631 0.1456 -0.0770 0.0144 126 ILE A CB 970 C CG1 . ILE A 126 ? 0.4534 0.5497 0.3536 0.1436 -0.0814 0.0140 126 ILE A CG1 971 C CG2 . ILE A 126 ? 0.5533 0.6638 0.4075 0.1410 -0.0796 0.0385 126 ILE A CG2 972 C CD1 . ILE A 126 ? 0.5438 0.6347 0.4578 0.1402 -0.1021 0.0210 126 ILE A CD1 973 N N . GLU A 127 ? 0.5578 0.6890 0.3374 0.1557 -0.0514 -0.0015 127 GLU A N 974 C CA . GLU A 127 ? 0.6270 0.7737 0.3642 0.1577 -0.0418 0.0031 127 GLU A CA 975 C C . GLU A 127 ? 0.5456 0.7128 0.2877 0.1594 -0.0144 0.0045 127 GLU A C 976 O O . GLU A 127 ? 0.6469 0.8301 0.3745 0.1550 -0.0016 0.0233 127 GLU A O 977 C CB . GLU A 127 ? 0.6778 0.8192 0.3725 0.1663 -0.0536 -0.0197 127 GLU A CB 978 C CG . GLU A 127 ? 0.9333 1.0928 0.5776 0.1712 -0.0402 -0.0199 127 GLU A CG 979 C CD . GLU A 127 ? 1.0838 1.2482 0.7053 0.1629 -0.0450 0.0080 127 GLU A CD 980 O OE1 . GLU A 127 ? 1.2093 1.3940 0.8047 0.1622 -0.0262 0.0204 127 GLU A OE1 981 O OE2 . GLU A 127 ? 1.0282 1.1774 0.6599 0.1569 -0.0679 0.0186 127 GLU A OE2 982 N N . LYS A 128 ? 0.5177 0.6850 0.2822 0.1651 -0.0065 -0.0136 128 LYS A N 983 C CA . LYS A 128 ? 0.5670 0.7553 0.3449 0.1667 0.0175 -0.0129 128 LYS A CA 984 C C . LYS A 128 ? 0.5244 0.7162 0.3365 0.1555 0.0254 0.0118 128 LYS A C 985 O O . LYS A 128 ? 0.5542 0.7666 0.3690 0.1517 0.0434 0.0246 128 LYS A O 986 C CB . LYS A 128 ? 0.5956 0.7802 0.3926 0.1760 0.0197 -0.0379 128 LYS A CB 987 N N . LEU A 129 ? 0.4964 0.6686 0.3354 0.1503 0.0120 0.0184 129 LEU A N 988 C CA . LEU A 129 ? 0.4600 0.6300 0.3277 0.1409 0.0160 0.0401 129 LEU A CA 989 C C . LEU A 129 ? 0.5384 0.7141 0.3871 0.1339 0.0158 0.0650 129 LEU A C 990 O O . LEU A 129 ? 0.5280 0.7124 0.3890 0.1264 0.0268 0.0835 129 LEU A O 991 C CB . LEU A 129 ? 0.3933 0.5416 0.2900 0.1395 0.0023 0.0395 129 LEU A CB 992 C CG . LEU A 129 ? 0.3812 0.5230 0.3036 0.1431 0.0048 0.0229 129 LEU A CG 993 C CD1 . LEU A 129 ? 0.4151 0.5378 0.3573 0.1428 -0.0080 0.0217 129 LEU A CD1 994 C CD2 . LEU A 129 ? 0.4545 0.6045 0.3995 0.1392 0.0188 0.0292 129 LEU A CD2 995 N N . LYS A 130 ? 0.4960 0.6659 0.3151 0.1356 0.0015 0.0660 130 LYS A N 996 C CA . LYS A 130 ? 0.5450 0.7179 0.3407 0.1296 -0.0028 0.0899 130 LYS A CA 997 C C . LYS A 130 ? 0.6433 0.8404 0.4150 0.1269 0.0177 0.1006 130 LYS A C 998 O O . LYS A 130 ? 0.6069 0.8086 0.3802 0.1177 0.0223 0.1274 130 LYS A O 999 C CB . LYS A 130 ? 0.5878 0.7520 0.3508 0.1335 -0.0233 0.0840 130 LYS A CB 1000 C CG . LYS A 130 ? 0.7767 0.9449 0.5046 0.1286 -0.0299 0.1069 130 LYS A CG 1001 C CD . LYS A 130 ? 0.8426 0.9961 0.5959 0.1223 -0.0460 0.1299 130 LYS A CD 1002 C CE . LYS A 130 ? 0.9841 1.1356 0.6995 0.1200 -0.0632 0.1469 130 LYS A CE 1003 N NZ . LYS A 130 ? 1.0788 1.2472 0.7506 0.1163 -0.0489 0.1618 130 LYS A NZ 1004 N N . GLU A 131 ? 0.6383 0.8512 0.3898 0.1351 0.0302 0.0800 131 GLU A N 1005 C CA . GLU A 131 ? 0.7382 0.9797 0.4675 0.1344 0.0532 0.0877 131 GLU A CA 1006 C C . GLU A 131 ? 0.7206 0.9745 0.4903 0.1246 0.0697 0.1061 131 GLU A C 1007 O O . GLU A 131 ? 0.7657 1.0434 0.5256 0.1186 0.0875 0.1243 131 GLU A O 1008 C CB . GLU A 131 ? 0.8819 1.1374 0.5905 0.1482 0.0639 0.0576 131 GLU A CB 1009 C CG . GLU A 131 ? 1.0098 1.2551 0.6689 0.1576 0.0488 0.0399 131 GLU A CG 1010 C CD . GLU A 131 ? 1.0829 1.3316 0.7313 0.1731 0.0533 0.0047 131 GLU A CD 1011 O OE1 . GLU A 131 ? 1.0253 1.2852 0.7069 0.1770 0.0680 -0.0053 131 GLU A OE1 1012 O OE2 . GLU A 131 ? 1.1551 1.3934 0.7627 0.1818 0.0402 -0.0136 131 GLU A OE2 1013 N N . LYS A 132 ? 0.6053 0.8428 0.4197 0.1224 0.0630 0.1019 132 LYS A N 1014 C CA . LYS A 132 ? 0.5671 0.8104 0.4225 0.1129 0.0735 0.1164 132 LYS A CA 1015 C C . LYS A 132 ? 0.5925 0.8125 0.4697 0.1030 0.0596 0.1386 132 LYS A C 1016 O O . LYS A 132 ? 0.5883 0.8022 0.5032 0.0961 0.0614 0.1461 132 LYS A O 1017 C CB . LYS A 132 ? 0.5880 0.8299 0.4766 0.1188 0.0764 0.0935 132 LYS A CB 1018 N N . LYS A 133 ? 0.5280 0.7342 0.3821 0.1030 0.0443 0.1482 133 LYS A N 1019 C CA . LYS A 133 ? 0.5743 0.7577 0.4496 0.0963 0.0297 0.1679 133 LYS A CA 1020 C C . LYS A 133 ? 0.5930 0.7556 0.5084 0.0996 0.0218 0.1541 133 LYS A C 1021 O O . LYS A 133 ? 0.5878 0.7363 0.5331 0.0937 0.0187 0.1666 133 LYS A O 1022 C CB . LYS A 133 ? 0.5627 0.7527 0.4482 0.0832 0.0382 0.1983 133 LYS A CB 1023 C CG . LYS A 133 ? 0.7260 0.9411 0.5709 0.0786 0.0504 0.2154 133 LYS A CG 1024 C CD . LYS A 133 ? 0.8558 1.0686 0.6537 0.0865 0.0386 0.2091 133 LYS A CD 1025 C CE . LYS A 133 ? 1.0633 1.3023 0.8127 0.0842 0.0527 0.2217 133 LYS A CE 1026 N NZ . LYS A 133 ? 1.0842 1.3200 0.7828 0.0932 0.0399 0.2100 133 LYS A NZ 1027 N N . LEU A 134 ? 0.4791 0.6384 0.3929 0.1090 0.0181 0.1283 134 LEU A N 1028 C CA . LEU A 134 ? 0.4670 0.6080 0.4119 0.1129 0.0110 0.1152 134 LEU A CA 1029 C C . LEU A 134 ? 0.4765 0.6067 0.4136 0.1201 -0.0039 0.1034 134 LEU A C 1030 O O . LEU A 134 ? 0.4864 0.6227 0.3937 0.1227 -0.0099 0.1008 134 LEU A O 1031 C CB . LEU A 134 ? 0.4900 0.6382 0.4499 0.1155 0.0221 0.0966 134 LEU A CB 1032 C CG . LEU A 134 ? 0.5255 0.6852 0.5042 0.1075 0.0353 0.1069 134 LEU A CG 1033 C CD1 . LEU A 134 ? 0.4825 0.6543 0.4723 0.1117 0.0448 0.0875 134 LEU A CD1 1034 C CD2 . LEU A 134 ? 0.6120 0.7513 0.6205 0.1013 0.0287 0.1192 134 LEU A CD2 1035 N N . THR A 135 ? 0.4194 0.5341 0.3834 0.1230 -0.0103 0.0968 135 THR A N 1036 C CA . THR A 135 ? 0.4205 0.5277 0.3862 0.1287 -0.0226 0.0859 135 THR A CA 1037 C C . THR A 135 ? 0.4133 0.5128 0.4014 0.1323 -0.0190 0.0700 135 THR A C 1038 O O . THR A 135 ? 0.3630 0.4597 0.3660 0.1306 -0.0101 0.0693 135 THR A O 1039 C CB . THR A 135 ? 0.4646 0.5623 0.4420 0.1288 -0.0360 0.1012 135 THR A CB 1040 O OG1 . THR A 135 ? 0.4323 0.5184 0.4383 0.1282 -0.0328 0.1094 135 THR A OG1 1041 C CG2 . THR A 135 ? 0.4215 0.5249 0.3734 0.1250 -0.0427 0.1190 135 THR A CG2 1042 N N . PRO A 136 ? 0.3924 0.4883 0.3824 0.1363 -0.0270 0.0580 136 PRO A N 1043 C CA . PRO A 136 ? 0.3544 0.4427 0.3631 0.1391 -0.0238 0.0456 136 PRO A CA 1044 C C . PRO A 136 ? 0.3258 0.4037 0.3595 0.1400 -0.0219 0.0527 136 PRO A C 1045 O O . PRO A 136 ? 0.3308 0.4060 0.3725 0.1399 -0.0265 0.0662 136 PRO A O 1046 C CB . PRO A 136 ? 0.3566 0.4438 0.3630 0.1412 -0.0347 0.0369 136 PRO A CB 1047 C CG . PRO A 136 ? 0.3579 0.4522 0.3368 0.1405 -0.0422 0.0369 136 PRO A CG 1048 C CD . PRO A 136 ? 0.3716 0.4705 0.3435 0.1376 -0.0396 0.0544 136 PRO A CD 1049 N N . ILE A 137 ? 0.2925 0.3638 0.3370 0.1418 -0.0159 0.0428 137 ILE A N 1050 C CA . ILE A 137 ? 0.2871 0.3469 0.3508 0.1448 -0.0134 0.0447 137 ILE A CA 1051 C C . ILE A 137 ? 0.2664 0.3266 0.3416 0.1490 -0.0178 0.0445 137 ILE A C 1052 O O . ILE A 137 ? 0.3003 0.3636 0.3728 0.1490 -0.0192 0.0361 137 ILE A O 1053 C CB . ILE A 137 ? 0.3091 0.3615 0.3751 0.1453 -0.0067 0.0333 137 ILE A CB 1054 C CG1 . ILE A 137 ? 0.3089 0.3654 0.3697 0.1403 -0.0026 0.0339 137 ILE A CG1 1055 C CG2 . ILE A 137 ? 0.2634 0.3018 0.3434 0.1499 -0.0043 0.0326 137 ILE A CG2 1056 C CD1 . ILE A 137 ? 0.3266 0.3806 0.3937 0.1361 -0.0024 0.0487 137 ILE A CD1 1057 N N . THR A 138 ? 0.2638 0.3216 0.3548 0.1525 -0.0202 0.0543 138 THR A N 1058 C CA . THR A 138 ? 0.3271 0.3902 0.4356 0.1568 -0.0229 0.0559 138 THR A CA 1059 C C . THR A 138 ? 0.3238 0.3786 0.4449 0.1596 -0.0136 0.0487 138 THR A C 1060 O O . THR A 138 ? 0.2960 0.3384 0.4125 0.1603 -0.0078 0.0431 138 THR A O 1061 C CB . THR A 138 ? 0.2701 0.3383 0.3908 0.1584 -0.0326 0.0701 138 THR A CB 1062 O OG1 . THR A 138 ? 0.3272 0.3846 0.4582 0.1625 -0.0304 0.0770 138 THR A OG1 1063 C CG2 . THR A 138 ? 0.3373 0.4113 0.4368 0.1520 -0.0427 0.0756 138 THR A CG2 1064 N N . TYR A 139 ? 0.2761 0.3382 0.4117 0.1596 -0.0129 0.0480 139 TYR A N 1065 C CA . TYR A 139 ? 0.3745 0.4326 0.5166 0.1614 -0.0027 0.0400 139 TYR A CA 1066 C C . TYR A 139 ? 0.3249 0.3693 0.4712 0.1661 0.0014 0.0364 139 TYR A C 1067 O O . TYR A 139 ? 0.3271 0.3606 0.4644 0.1673 0.0085 0.0268 139 TYR A O 1068 C CB . TYR A 139 ? 0.3225 0.3963 0.4846 0.1624 -0.0022 0.0442 139 TYR A CB 1069 C CG . TYR A 139 ? 0.3775 0.4531 0.5411 0.1650 0.0108 0.0379 139 TYR A CG 1070 C CD1 . TYR A 139 ? 0.3223 0.3978 0.4728 0.1624 0.0149 0.0346 139 TYR A CD1 1071 C CD2 . TYR A 139 ? 0.3674 0.4447 0.5438 0.1717 0.0189 0.0356 139 TYR A CD2 1072 C CE1 . TYR A 139 ? 0.3257 0.4037 0.4742 0.1660 0.0275 0.0317 139 TYR A CE1 1073 C CE2 . TYR A 139 ? 0.4831 0.5642 0.6574 0.1758 0.0327 0.0308 139 TYR A CE2 1074 C CZ . TYR A 139 ? 0.4069 0.4886 0.5661 0.1727 0.0374 0.0300 139 TYR A CZ 1075 O OH . TYR A 139 ? 0.3513 0.4375 0.5050 0.1779 0.0520 0.0277 139 TYR A OH 1076 N N . PRO A 140 ? 0.2975 0.3407 0.4569 0.1693 -0.0051 0.0441 140 PRO A N 1077 C CA . PRO A 140 ? 0.3339 0.3610 0.4985 0.1752 -0.0033 0.0395 140 PRO A CA 1078 C C . PRO A 140 ? 0.3363 0.3458 0.4870 0.1735 -0.0035 0.0366 140 PRO A C 1079 O O . PRO A 140 ? 0.3441 0.3375 0.4961 0.1779 -0.0013 0.0282 140 PRO A O 1080 C CB . PRO A 140 ? 0.3003 0.3291 0.4806 0.1789 -0.0130 0.0507 140 PRO A CB 1081 C CG . PRO A 140 ? 0.3386 0.3809 0.5148 0.1727 -0.0214 0.0631 140 PRO A CG 1082 C CD . PRO A 140 ? 0.2844 0.3389 0.4546 0.1687 -0.0159 0.0568 140 PRO A CD 1083 N N . GLN A 141 ? 0.3297 0.3427 0.4687 0.1685 -0.0065 0.0434 141 GLN A N 1084 C CA . GLN A 141 ? 0.3206 0.3212 0.4496 0.1672 -0.0056 0.0416 141 GLN A CA 1085 C C . GLN A 141 ? 0.3308 0.3260 0.4487 0.1661 0.0009 0.0260 141 GLN A C 1086 O O . GLN A 141 ? 0.3249 0.3034 0.4406 0.1678 0.0011 0.0192 141 GLN A O 1087 C CB . GLN A 141 ? 0.2873 0.2991 0.4062 0.1623 -0.0084 0.0521 141 GLN A CB 1088 C CG . GLN A 141 ? 0.3332 0.3477 0.4572 0.1594 -0.0162 0.0696 141 GLN A CG 1089 C CD . GLN A 141 ? 0.4277 0.4556 0.5335 0.1497 -0.0179 0.0758 141 GLN A CD 1090 O OE1 . GLN A 141 ? 0.4130 0.4546 0.5096 0.1490 -0.0209 0.0762 141 GLN A OE1 1091 N NE2 . GLN A 141 ? 0.4580 0.4824 0.5592 0.1425 -0.0159 0.0804 141 GLN A NE2 1092 N N . GLY A 142 ? 0.3284 0.3360 0.4392 0.1633 0.0045 0.0217 142 GLY A N 1093 C CA . GLY A 142 ? 0.3186 0.3216 0.4175 0.1622 0.0101 0.0100 142 GLY A CA 1094 C C . GLY A 142 ? 0.3054 0.2973 0.4068 0.1678 0.0155 0.0022 142 GLY A C 1095 O O . GLY A 142 ? 0.3469 0.3246 0.4368 0.1690 0.0168 -0.0071 142 GLY A O 1096 N N . LEU A 143 ? 0.3214 0.3203 0.4375 0.1722 0.0182 0.0050 143 LEU A N 1097 C CA . LEU A 143 ? 0.3090 0.3001 0.4286 0.1800 0.0248 -0.0036 143 LEU A CA 1098 C C . LEU A 143 ? 0.4300 0.3979 0.5508 0.1836 0.0206 -0.0093 143 LEU A C 1099 O O . LEU A 143 ? 0.4390 0.3929 0.5495 0.1884 0.0253 -0.0208 143 LEU A O 1100 C CB . LEU A 143 ? 0.3737 0.3788 0.5148 0.1855 0.0269 0.0011 143 LEU A CB 1101 C CG . LEU A 143 ? 0.3345 0.3625 0.4811 0.1846 0.0330 0.0065 143 LEU A CG 1102 C CD1 . LEU A 143 ? 0.3344 0.3759 0.5074 0.1907 0.0323 0.0118 143 LEU A CD1 1103 C CD2 . LEU A 143 ? 0.3331 0.3629 0.4641 0.1879 0.0460 -0.0009 143 LEU A CD2 1104 N N . ALA A 144 ? 0.3684 0.3309 0.5008 0.1821 0.0111 -0.0004 144 ALA A N 1105 C CA . ALA A 144 ? 0.3440 0.2824 0.4822 0.1852 0.0053 -0.0021 144 ALA A CA 1106 C C . ALA A 144 ? 0.3651 0.2890 0.4849 0.1818 0.0046 -0.0088 144 ALA A C 1107 O O . ALA A 144 ? 0.4408 0.3421 0.5554 0.1856 0.0035 -0.0178 144 ALA A O 1108 C CB . ALA A 144 ? 0.3779 0.3139 0.5278 0.1848 -0.0066 0.0122 144 ALA A CB 1109 N N . MET A 145 ? 0.3357 0.2720 0.4450 0.1753 0.0034 -0.0054 145 MET A N 1110 C CA . MET A 145 ? 0.3778 0.3041 0.4733 0.1722 -0.0005 -0.0124 145 MET A CA 1111 C C . MET A 145 ? 0.4378 0.3560 0.5146 0.1745 0.0040 -0.0274 145 MET A C 1112 O O . MET A 145 ? 0.4532 0.3511 0.5206 0.1755 -0.0021 -0.0374 145 MET A O 1113 C CB . MET A 145 ? 0.3134 0.2583 0.4042 0.1665 -0.0014 -0.0065 145 MET A CB 1114 C CG . MET A 145 ? 0.3637 0.3031 0.4476 0.1612 -0.0072 -0.0133 145 MET A CG 1115 S SD . MET A 145 ? 0.4012 0.3248 0.5016 0.1521 -0.0175 -0.0085 145 MET A SD 1116 C CE . MET A 145 ? 0.3930 0.3424 0.5052 0.1415 -0.0147 0.0112 145 MET A CE 1117 N N . ALA A 146 ? 0.3609 0.2939 0.4314 0.1757 0.0129 -0.0285 146 ALA A N 1118 C CA . ALA A 146 ? 0.4200 0.3469 0.4690 0.1799 0.0183 -0.0404 146 ALA A CA 1119 C C . ALA A 146 ? 0.4939 0.4002 0.5396 0.1882 0.0193 -0.0514 146 ALA A C 1120 O O . ALA A 146 ? 0.4600 0.3496 0.4836 0.1913 0.0168 -0.0640 146 ALA A O 1121 C CB . ALA A 146 ? 0.3954 0.3429 0.4419 0.1811 0.0284 -0.0364 146 ALA A CB 1122 N N . LYS A 147 ? 0.4343 0.3405 0.5014 0.1924 0.0216 -0.0473 147 LYS A N 1123 C CA . LYS A 147 ? 0.4211 0.3066 0.4878 0.2012 0.0224 -0.0581 147 LYS A CA 1124 C C . LYS A 147 ? 0.5083 0.3649 0.5687 0.1990 0.0090 -0.0640 147 LYS A C 1125 O O . LYS A 147 ? 0.5361 0.3711 0.5795 0.2040 0.0060 -0.0791 147 LYS A O 1126 C CB . LYS A 147 ? 0.4223 0.3134 0.5184 0.2065 0.0256 -0.0508 147 LYS A CB 1127 C CG . LYS A 147 ? 0.4857 0.3517 0.5849 0.2162 0.0253 -0.0609 147 LYS A CG 1128 C CD . LYS A 147 ? 0.5625 0.4387 0.6904 0.2245 0.0319 -0.0561 147 LYS A CD 1129 C CE . LYS A 147 ? 0.6499 0.4982 0.7788 0.2359 0.0323 -0.0666 147 LYS A CE 1130 N NZ . LYS A 147 ? 0.7818 0.6407 0.9407 0.2461 0.0403 -0.0629 147 LYS A NZ 1131 N N . GLU A 148 ? 0.4666 0.3232 0.5406 0.1914 -0.0004 -0.0524 148 GLU A N 1132 C CA . GLU A 148 ? 0.5426 0.3742 0.6175 0.1872 -0.0156 -0.0557 148 GLU A CA 1133 C C . GLU A 148 ? 0.6261 0.4472 0.6778 0.1846 -0.0227 -0.0701 148 GLU A C 1134 O O . GLU A 148 ? 0.6572 0.4515 0.7024 0.1850 -0.0341 -0.0820 148 GLU A O 1135 C CB . GLU A 148 ? 0.5425 0.3826 0.6372 0.1792 -0.0232 -0.0390 148 GLU A CB 1136 C CG . GLU A 148 ? 0.6860 0.5023 0.7935 0.1722 -0.0404 -0.0386 148 GLU A CG 1137 C CD . GLU A 148 ? 0.8165 0.6407 0.9514 0.1647 -0.0463 -0.0177 148 GLU A CD 1138 O OE1 . GLU A 148 ? 0.7347 0.5831 0.8719 0.1655 -0.0370 -0.0052 148 GLU A OE1 1139 O OE2 . GLU A 148 ? 0.9396 0.7503 1.0902 0.1530 -0.0580 -0.0111 148 GLU A OE2 1140 N N . ILE A 149 ? 0.5816 0.4222 0.6210 0.1818 -0.0179 -0.0690 149 ILE A N 1141 C CA . ILE A 149 ? 0.5968 0.4284 0.6153 0.1795 -0.0267 -0.0803 149 ILE A CA 1142 C C . ILE A 149 ? 0.5935 0.4207 0.5805 0.1873 -0.0198 -0.0933 149 ILE A C 1143 O O . ILE A 149 ? 0.5770 0.3955 0.5414 0.1869 -0.0277 -0.1026 149 ILE A O 1144 C CB . ILE A 149 ? 0.4912 0.3437 0.5136 0.1729 -0.0280 -0.0722 149 ILE A CB 1145 C CG1 . ILE A 149 ? 0.4438 0.3208 0.4567 0.1745 -0.0135 -0.0662 149 ILE A CG1 1146 C CG2 . ILE A 149 ? 0.4921 0.3529 0.5443 0.1669 -0.0329 -0.0588 149 ILE A CG2 1147 C CD1 . ILE A 149 ? 0.3973 0.2913 0.4105 0.1688 -0.0161 -0.0610 149 ILE A CD1 1148 N N . GLY A 150 ? 0.5471 0.4310 0.4226 0.2033 -0.0045 -0.0620 150 GLY A N 1149 C CA . GLY A 150 ? 0.5324 0.4356 0.4122 0.2113 0.0006 -0.0651 150 GLY A CA 1150 C C . GLY A 150 ? 0.5150 0.4382 0.4020 0.2068 0.0049 -0.0589 150 GLY A C 1151 O O . GLY A 150 ? 0.5073 0.4422 0.3921 0.2100 0.0096 -0.0605 150 GLY A O 1152 N N . ALA A 151 ? 0.4850 0.4108 0.3799 0.1999 0.0035 -0.0521 151 ALA A N 1153 C CA . ALA A 151 ? 0.4518 0.3943 0.3564 0.1957 0.0080 -0.0461 151 ALA A CA 1154 C C . ALA A 151 ? 0.4389 0.4035 0.3584 0.2051 0.0156 -0.0469 151 ALA A C 1155 O O . ALA A 151 ? 0.4931 0.4617 0.4209 0.2132 0.0150 -0.0504 151 ALA A O 1156 C CB . ALA A 151 ? 0.3911 0.3305 0.3031 0.1866 0.0041 -0.0403 151 ALA A CB 1157 N N . VAL A 152 ? 0.4448 0.4240 0.3677 0.2049 0.0231 -0.0440 152 VAL A N 1158 C CA . VAL A 152 ? 0.4615 0.4650 0.3952 0.2164 0.0324 -0.0450 152 VAL A CA 1159 C C . VAL A 152 ? 0.4319 0.4508 0.3886 0.2161 0.0343 -0.0407 152 VAL A C 1160 O O . VAL A 152 ? 0.4810 0.5225 0.4538 0.2255 0.0407 -0.0435 152 VAL A O 1161 C CB . VAL A 152 ? 0.5529 0.5678 0.4728 0.2224 0.0413 -0.0426 152 VAL A CB 1162 C CG1 . VAL A 152 ? 0.6277 0.6298 0.5273 0.2238 0.0380 -0.0485 152 VAL A CG1 1163 C CG2 . VAL A 152 ? 0.4418 0.4553 0.3578 0.2166 0.0429 -0.0329 152 VAL A CG2 1164 N N . LYS A 153 ? 0.3915 0.4002 0.3522 0.2054 0.0285 -0.0351 153 LYS A N 1165 C CA . LYS A 153 ? 0.3908 0.4118 0.3754 0.2040 0.0276 -0.0322 153 LYS A CA 1166 C C . LYS A 153 ? 0.4679 0.4694 0.4520 0.1918 0.0172 -0.0296 153 LYS A C 1167 O O . LYS A 153 ? 0.3907 0.3746 0.3587 0.1827 0.0136 -0.0282 153 LYS A O 1168 C CB . LYS A 153 ? 0.4435 0.4836 0.4385 0.2057 0.0367 -0.0258 153 LYS A CB 1169 C CG . LYS A 153 ? 0.5921 0.6582 0.5900 0.2173 0.0511 -0.0263 153 LYS A CG 1170 C CD . LYS A 153 ? 0.6545 0.7508 0.6838 0.2239 0.0560 -0.0308 153 LYS A CD 1171 C CE . LYS A 153 ? 0.6844 0.8129 0.7191 0.2330 0.0739 -0.0313 153 LYS A CE 1172 N NZ . LYS A 153 ? 0.7342 0.8951 0.8005 0.2394 0.0786 -0.0393 153 LYS A NZ 1173 N N . TYR A 154 ? 0.3698 0.3775 0.3722 0.1922 0.0128 -0.0297 154 TYR A N 1174 C CA . TYR A 154 ? 0.3753 0.3712 0.3795 0.1822 0.0047 -0.0264 154 TYR A CA 1175 C C . TYR A 154 ? 0.3279 0.3419 0.3576 0.1814 0.0058 -0.0228 154 TYR A C 1176 O O . TYR A 154 ? 0.3627 0.3994 0.4141 0.1904 0.0089 -0.0250 154 TYR A O 1177 C CB . TYR A 154 ? 0.3714 0.3569 0.3673 0.1875 -0.0037 -0.0296 154 TYR A CB 1178 C CG . TYR A 154 ? 0.3755 0.3537 0.3721 0.1809 -0.0115 -0.0269 154 TYR A CG 1179 C CD1 . TYR A 154 ? 0.3340 0.2961 0.3142 0.1706 -0.0142 -0.0249 154 TYR A CD1 1180 C CD2 . TYR A 154 ? 0.4083 0.3973 0.4220 0.1858 -0.0165 -0.0276 154 TYR A CD2 1181 C CE1 . TYR A 154 ? 0.3644 0.3210 0.3442 0.1650 -0.0207 -0.0235 154 TYR A CE1 1182 C CE2 . TYR A 154 ? 0.3823 0.3648 0.3941 0.1806 -0.0239 -0.0259 154 TYR A CE2 1183 C CZ . TYR A 154 ? 0.3878 0.3538 0.3822 0.1700 -0.0256 -0.0239 154 TYR A CZ 1184 O OH . TYR A 154 ? 0.3758 0.3362 0.3671 0.1653 -0.0324 -0.0233 154 TYR A OH 1185 N N . LEU A 155 ? 0.3388 0.3447 0.3676 0.1714 0.0032 -0.0183 155 LEU A N 1186 C CA . LEU A 155 ? 0.3340 0.3546 0.3869 0.1706 0.0034 -0.0147 155 LEU A CA 1187 C C . LEU A 155 ? 0.3330 0.3408 0.3872 0.1595 -0.0055 -0.0124 155 LEU A C 1188 O O . LEU A 155 ? 0.3907 0.3795 0.4250 0.1504 -0.0083 -0.0120 155 LEU A O 1189 C CB . LEU A 155 ? 0.3541 0.3812 0.4051 0.1732 0.0121 -0.0101 155 LEU A CB 1190 C CG . LEU A 155 ? 0.3657 0.4126 0.4163 0.1856 0.0250 -0.0107 155 LEU A CG 1191 C CD1 . LEU A 155 ? 0.3904 0.4382 0.4278 0.1890 0.0358 -0.0024 155 LEU A CD1 1192 C CD2 . LEU A 155 ? 0.3946 0.4754 0.4787 0.1939 0.0303 -0.0140 155 LEU A CD2 1193 N N . GLU A 156 ? 0.3028 0.3242 0.3814 0.1606 -0.0093 -0.0115 156 GLU A N 1194 C CA . GLU A 156 ? 0.2675 0.2795 0.3468 0.1515 -0.0171 -0.0094 156 GLU A CA 1195 C C . GLU A 156 ? 0.3289 0.3496 0.4288 0.1497 -0.0168 -0.0052 156 GLU A C 1196 O O . GLU A 156 ? 0.3045 0.3473 0.4289 0.1576 -0.0120 -0.0048 156 GLU A O 1197 C CB . GLU A 156 ? 0.2637 0.2819 0.3492 0.1554 -0.0240 -0.0122 156 GLU A CB 1198 C CG . GLU A 156 ? 0.2892 0.2953 0.3516 0.1599 -0.0260 -0.0162 156 GLU A CG 1199 C CD . GLU A 156 ? 0.3729 0.3830 0.4360 0.1673 -0.0349 -0.0199 156 GLU A CD 1200 O OE1 . GLU A 156 ? 0.3632 0.3930 0.4524 0.1698 -0.0377 -0.0199 156 GLU A OE1 1201 O OE2 . GLU A 156 ? 0.3996 0.3932 0.4363 0.1720 -0.0398 -0.0233 156 GLU A OE2 1202 N N . CYS A 157 ? 0.2693 0.2751 0.3604 0.1402 -0.0211 -0.0027 157 CYS A N 1203 C CA . CYS A 157 ? 0.2344 0.2443 0.3430 0.1394 -0.0222 0.0017 157 CYS A CA 1204 C C . CYS A 157 ? 0.3159 0.3135 0.4150 0.1304 -0.0296 0.0012 157 CYS A C 1205 O O . CYS A 157 ? 0.3271 0.3136 0.4055 0.1242 -0.0324 -0.0026 157 CYS A O 1206 C CB . CYS A 157 ? 0.2657 0.2671 0.3667 0.1408 -0.0168 0.0054 157 CYS A CB 1207 S SG . CYS A 157 ? 0.3599 0.3352 0.4254 0.1296 -0.0180 0.0045 157 CYS A SG 1208 N N . SER A 158 ? 0.2960 0.2966 0.4101 0.1308 -0.0335 0.0029 158 SER A N 1209 C CA . SER A 158 ? 0.3005 0.2888 0.4063 0.1223 -0.0423 -0.0009 158 SER A CA 1210 C C . SER A 158 ? 0.3464 0.3212 0.4540 0.1203 -0.0430 0.0035 158 SER A C 1211 O O . SER A 158 ? 0.3245 0.3049 0.4586 0.1245 -0.0447 0.0064 158 SER A O 1212 C CB . SER A 158 ? 0.3069 0.3096 0.4339 0.1225 -0.0540 -0.0090 158 SER A CB 1213 O OG . SER A 158 ? 0.3202 0.3116 0.4467 0.1141 -0.0642 -0.0147 158 SER A OG 1214 N N . ALA A 159 ? 0.3561 0.3138 0.4406 0.1127 -0.0426 0.0032 159 ALA A N 1215 C CA . ALA A 159 ? 0.3434 0.2847 0.4258 0.1101 -0.0454 0.0064 159 ALA A CA 1216 C C . ALA A 159 ? 0.3081 0.2467 0.4118 0.1051 -0.0587 0.0008 159 ALA A C 1217 O O . ALA A 159 ? 0.3342 0.2582 0.4509 0.1027 -0.0630 0.0056 159 ALA A O 1218 C CB . ALA A 159 ? 0.3898 0.3212 0.4476 0.1028 -0.0437 0.0036 159 ALA A CB 1219 N N A LEU A 160 ? 0.2979 0.2476 0.4071 0.1020 -0.0660 -0.0089 160 LEU A N 1220 N N B LEU A 160 ? 0.2984 0.2481 0.4074 0.1020 -0.0660 -0.0089 160 LEU A N 1221 C CA A LEU A 160 ? 0.3211 0.2701 0.4527 0.0960 -0.0804 -0.0174 160 LEU A CA 1222 C CA B LEU A 160 ? 0.3203 0.2694 0.4520 0.0961 -0.0804 -0.0174 160 LEU A CA 1223 C C A LEU A 160 ? 0.3096 0.2697 0.4886 0.0965 -0.0858 -0.0159 160 LEU A C 1224 C C B LEU A 160 ? 0.3098 0.2698 0.4888 0.0966 -0.0857 -0.0158 160 LEU A C 1225 O O A LEU A 160 ? 0.3218 0.2700 0.5273 0.0898 -0.0935 -0.0149 160 LEU A O 1226 O O B LEU A 160 ? 0.3204 0.2684 0.5257 0.0898 -0.0933 -0.0146 160 LEU A O 1227 C CB A LEU A 160 ? 0.3488 0.3067 0.4712 0.0945 -0.0866 -0.0283 160 LEU A CB 1228 C CB B LEU A 160 ? 0.3460 0.3042 0.4689 0.0946 -0.0866 -0.0283 160 LEU A CB 1229 C CG A LEU A 160 ? 0.3351 0.2921 0.4728 0.0890 -0.1023 -0.0406 160 LEU A CG 1230 C CG B LEU A 160 ? 0.3328 0.2924 0.4771 0.0897 -0.1026 -0.0402 160 LEU A CG 1231 C CD1 A LEU A 160 ? 0.3517 0.3232 0.5332 0.0894 -0.1115 -0.0449 160 LEU A CD1 1232 C CD1 B LEU A 160 ? 0.4045 0.3469 0.5413 0.0830 -0.1087 -0.0436 160 LEU A CD1 1233 C CD2 A LEU A 160 ? 0.4487 0.3883 0.5816 0.0827 -0.1073 -0.0422 160 LEU A CD2 1234 C CD2 B LEU A 160 ? 0.3179 0.2869 0.4515 0.0918 -0.1075 -0.0496 160 LEU A CD2 1235 N N . THR A 161 ? 0.2913 0.2755 0.4858 0.1033 -0.0811 -0.0158 161 THR A N 1236 C CA . THR A 161 ? 0.3188 0.3282 0.5710 0.1024 -0.0834 -0.0163 161 THR A CA 1237 C C . THR A 161 ? 0.3992 0.4129 0.6571 0.0982 -0.0645 -0.0016 161 THR A C 1238 O O . THR A 161 ? 0.2865 0.3191 0.5759 0.0842 -0.0558 0.0019 161 THR A O 1239 C CB . THR A 161 ? 0.3470 0.3886 0.6075 0.1081 -0.0849 -0.0259 161 THR A CB 1240 O OG1 . THR A 161 ? 0.2571 0.3035 0.4892 0.1186 -0.0725 -0.0203 161 THR A OG1 1241 C CG2 . THR A 161 ? 0.3480 0.3827 0.5840 0.1064 -0.0962 -0.0369 161 THR A CG2 1242 N N . GLN A 162 ? 0.2797 0.2769 0.5017 0.1079 -0.0564 0.0061 162 GLN A N 1243 C CA . GLN A 162 ? 0.3435 0.3435 0.5543 0.1062 -0.0366 0.0197 162 GLN A CA 1244 C C . GLN A 162 ? 0.3719 0.4090 0.5989 0.1127 -0.0255 0.0173 162 GLN A C 1245 O O . GLN A 162 ? 0.3239 0.3691 0.5438 0.1119 -0.0079 0.0268 162 GLN A O 1246 C CB . GLN A 162 ? 0.4141 0.4020 0.6351 0.0869 -0.0278 0.0323 162 GLN A CB 1247 C CG . GLN A 162 ? 0.3978 0.3440 0.5931 0.0856 -0.0378 0.0360 162 GLN A CG 1248 C CD . GLN A 162 ? 0.5525 0.4754 0.7425 0.0710 -0.0280 0.0524 162 GLN A CD 1249 O OE1 . GLN A 162 ? 0.6818 0.5826 0.8807 0.0605 -0.0372 0.0529 162 GLN A OE1 1250 N NE2 . GLN A 162 ? 0.5306 0.4557 0.7029 0.0711 -0.0095 0.0662 162 GLN A NE2 1251 N N . ARG A 163 ? 0.2866 0.3461 0.5326 0.1212 -0.0362 0.0041 163 ARG A N 1252 C CA . ARG A 163 ? 0.2797 0.3740 0.5402 0.1318 -0.0288 -0.0008 163 ARG A CA 1253 C C . ARG A 163 ? 0.3787 0.4626 0.6033 0.1471 -0.0198 0.0033 163 ARG A C 1254 O O . ARG A 163 ? 0.3240 0.3799 0.5083 0.1509 -0.0246 0.0039 163 ARG A O 1255 C CB . ARG A 163 ? 0.2464 0.3568 0.5161 0.1397 -0.0439 -0.0146 163 ARG A CB 1256 C CG . ARG A 163 ? 0.3946 0.5361 0.6706 0.1501 -0.0370 -0.0186 163 ARG A CG 1257 C CD . ARG A 163 ? 0.5953 0.7403 0.8622 0.1515 -0.0490 -0.0263 163 ARG A CD 1258 N NE . ARG A 163 ? 0.7857 0.9466 1.0880 0.1421 -0.0613 -0.0359 163 ARG A NE 1259 C CZ . ARG A 163 ? 0.9852 1.1876 1.3363 0.1389 -0.0618 -0.0449 163 ARG A CZ 1260 N NH1 . ARG A 163 ? 1.0327 1.2460 1.4154 0.1278 -0.0734 -0.0543 163 ARG A NH1 1261 N NH2 . ARG A 163 ? 1.0208 1.2547 1.3894 0.1457 -0.0500 -0.0455 163 ARG A NH2 1262 N N . GLY A 164 ? 0.3167 0.4217 0.5464 0.1475 -0.0019 0.0085 164 GLY A N 1263 C CA . GLY A 164 ? 0.2590 0.3569 0.4569 0.1622 0.0071 0.0106 164 GLY A CA 1264 C C . GLY A 164 ? 0.3205 0.3845 0.4803 0.1596 0.0127 0.0212 164 GLY A C 1265 O O . GLY A 164 ? 0.3237 0.3824 0.4571 0.1712 0.0203 0.0219 164 GLY A O 1266 N N . LEU A 165 ? 0.3198 0.3613 0.4768 0.1457 0.0080 0.0281 165 LEU A N 1267 C CA . LEU A 165 ? 0.4033 0.4104 0.5232 0.1463 0.0080 0.0355 165 LEU A CA 1268 C C . LEU A 165 ? 0.4804 0.4879 0.5818 0.1444 0.0269 0.0481 165 LEU A C 1269 O O . LEU A 165 ? 0.4168 0.4098 0.4848 0.1554 0.0292 0.0487 165 LEU A O 1270 C CB . LEU A 165 ? 0.3710 0.3532 0.4936 0.1341 -0.0039 0.0382 165 LEU A CB 1271 C CG . LEU A 165 ? 0.4165 0.3634 0.5025 0.1379 -0.0090 0.0419 165 LEU A CG 1272 C CD1 . LEU A 165 ? 0.4079 0.3521 0.4754 0.1377 -0.0178 0.0276 165 LEU A CD1 1273 C CD2 . LEU A 165 ? 0.4338 0.3573 0.5252 0.1266 -0.0203 0.0443 165 LEU A CD2 1274 N N . LYS A 166 ? 0.3663 0.3904 0.4884 0.1300 0.0408 0.0578 166 LYS A N 1275 C CA . LYS A 166 ? 0.3619 0.3867 0.4638 0.1274 0.0604 0.0712 166 LYS A CA 1276 C C . LYS A 166 ? 0.3733 0.4227 0.4662 0.1434 0.0712 0.0649 166 LYS A C 1277 O O . LYS A 166 ? 0.4232 0.4651 0.4840 0.1500 0.0816 0.0711 166 LYS A O 1278 C CB . LYS A 166 ? 0.4393 0.4785 0.5677 0.1061 0.0753 0.0829 166 LYS A CB 1279 N N . THR A 167 ? 0.3734 0.4509 0.4933 0.1513 0.0671 0.0514 167 THR A N 1280 C CA . THR A 167 ? 0.3760 0.4776 0.4919 0.1680 0.0757 0.0431 167 THR A CA 1281 C C . THR A 167 ? 0.4112 0.4869 0.4874 0.1854 0.0687 0.0376 167 THR A C 1282 O O . THR A 167 ? 0.3957 0.4794 0.4531 0.1965 0.0797 0.0360 167 THR A O 1283 C CB . THR A 167 ? 0.3403 0.4733 0.4929 0.1751 0.0688 0.0289 167 THR A CB 1284 O OG1 . THR A 167 ? 0.3693 0.5359 0.5626 0.1596 0.0787 0.0313 167 THR A OG1 1285 C CG2 . THR A 167 ? 0.4136 0.5642 0.5583 0.1962 0.0738 0.0184 167 THR A CG2 1286 N N . VAL A 168 ? 0.3709 0.4176 0.4356 0.1872 0.0508 0.0333 168 VAL A N 1287 C CA . VAL A 168 ? 0.3748 0.3943 0.4022 0.1840 0.0406 0.0252 168 VAL A CA 1288 C C . VAL A 168 ? 0.4174 0.4267 0.4137 0.1928 0.0527 0.0347 168 VAL A C 1289 O O . VAL A 168 ? 0.4204 0.4301 0.3947 0.1974 0.0555 0.0287 168 VAL A O 1290 C CB . VAL A 168 ? 0.3933 0.3872 0.4156 0.1694 0.0219 0.0196 168 VAL A CB 1291 C CG1 . VAL A 168 ? 0.4438 0.4182 0.4343 0.1642 0.0170 0.0142 168 VAL A CG1 1292 C CG2 . VAL A 168 ? 0.3468 0.3477 0.3909 0.1619 0.0112 0.0100 168 VAL A CG2 1293 N N . PHE A 169 ? 0.4772 0.4749 0.4701 0.1878 0.0573 0.0492 169 PHE A N 1294 C CA . PHE A 169 ? 0.4528 0.4340 0.4097 0.1901 0.0640 0.0582 169 PHE A CA 1295 C C . PHE A 169 ? 0.4850 0.4900 0.4367 0.1907 0.0858 0.0660 169 PHE A C 1296 O O . PHE A 169 ? 0.4937 0.4923 0.4117 0.2002 0.0920 0.0677 169 PHE A O 1297 C CB . PHE A 169 ? 0.4759 0.4294 0.4255 0.1779 0.0568 0.0698 169 PHE A CB 1298 C CG . PHE A 169 ? 0.4420 0.3723 0.3888 0.1807 0.0361 0.0598 169 PHE A CG 1299 C CD1 . PHE A 169 ? 0.5384 0.4560 0.4570 0.1793 0.0267 0.0492 169 PHE A CD1 1300 C CD2 . PHE A 169 ? 0.4367 0.3682 0.4129 0.1707 0.0250 0.0549 169 PHE A CD2 1301 C CE1 . PHE A 169 ? 0.5101 0.4211 0.4342 0.1642 0.0100 0.0353 169 PHE A CE1 1302 C CE2 . PHE A 169 ? 0.4578 0.3796 0.4346 0.1561 0.0066 0.0403 169 PHE A CE2 1303 C CZ . PHE A 169 ? 0.5332 0.4467 0.4862 0.1525 0.0012 0.0318 169 PHE A CZ 1304 N N . ASP A 170 ? 0.3923 0.4276 0.3777 0.1816 0.0973 0.0687 170 ASP A N 1305 C CA . ASP A 170 ? 0.4690 0.5344 0.4543 0.1827 0.1197 0.0730 170 ASP A CA 1306 C C . ASP A 170 ? 0.5008 0.5804 0.4740 0.2040 0.1211 0.0576 170 ASP A C 1307 O O . ASP A 170 ? 0.5195 0.6063 0.4669 0.2121 0.1343 0.0593 170 ASP A O 1308 C CB . ASP A 170 ? 0.5955 0.6964 0.6267 0.1687 0.1306 0.0746 170 ASP A CB 1309 C CG . ASP A 170 ? 0.7346 0.8257 0.7742 0.1452 0.1383 0.0926 170 ASP A CG 1310 O OD1 . ASP A 170 ? 0.7257 0.7843 0.7299 0.1413 0.1397 0.1067 170 ASP A OD1 1311 O OD2 . ASP A 170 ? 0.8241 0.9393 0.9060 0.1308 0.1425 0.0921 170 ASP A OD2 1312 N N . GLU A 171 ? 0.4371 0.5189 0.4275 0.2134 0.1070 0.0424 171 GLU A N 1313 C CA . GLU A 171 ? 0.4401 0.5260 0.4201 0.2221 0.1011 0.0269 171 GLU A CA 1314 C C . GLU A 171 ? 0.5077 0.5623 0.4467 0.2240 0.0906 0.0233 171 GLU A C 1315 O O . GLU A 171 ? 0.4929 0.5513 0.4159 0.2288 0.0917 0.0161 171 GLU A O 1316 C CB . GLU A 171 ? 0.4446 0.5299 0.4490 0.2150 0.0826 0.0137 171 GLU A CB 1317 C CG . GLU A 171 ? 0.3693 0.4926 0.4156 0.2153 0.0907 0.0116 171 GLU A CG 1318 C CD . GLU A 171 ? 0.5211 0.6760 0.5727 0.2221 0.1053 0.0060 171 GLU A CD 1319 O OE1 . GLU A 171 ? 0.5437 0.6862 0.5706 0.2268 0.1012 -0.0015 171 GLU A OE1 1320 O OE2 . GLU A 171 ? 0.5500 0.7445 0.6333 0.2209 0.1213 0.0084 171 GLU A OE2 1321 N N . ALA A 172 ? 0.4656 0.4917 0.3905 0.2196 0.0797 0.0274 172 ALA A N 1322 C CA . ALA A 172 ? 0.5400 0.5426 0.4298 0.2205 0.0705 0.0234 172 ALA A CA 1323 C C . ALA A 172 ? 0.5703 0.5797 0.4319 0.2348 0.0875 0.0311 172 ALA A C 1324 O O . ALA A 172 ? 0.5509 0.5586 0.3920 0.2387 0.0835 0.0233 172 ALA A O 1325 C CB . ALA A 172 ? 0.4924 0.4692 0.3756 0.2122 0.0574 0.0257 172 ALA A CB 1326 N N . ILE A 173 ? 0.5662 0.5846 0.4283 0.2383 0.1070 0.0473 173 ILE A N 1327 C CA . ILE A 173 ? 0.5705 0.5962 0.4028 0.2411 0.1239 0.0573 173 ILE A CA 1328 C C . ILE A 173 ? 0.6116 0.6708 0.4507 0.2486 0.1372 0.0483 173 ILE A C 1329 O O . ILE A 173 ? 0.6525 0.7119 0.4646 0.2542 0.1384 0.0455 173 ILE A O 1330 C CB . ILE A 173 ? 0.5605 0.5838 0.3951 0.2224 0.1356 0.0800 173 ILE A CB 1331 C CG1 . ILE A 173 ? 0.5979 0.5824 0.4192 0.2153 0.1189 0.0885 173 ILE A CG1 1332 C CG2 . ILE A 173 ? 0.6197 0.6542 0.4228 0.2248 0.1570 0.0915 173 ILE A CG2 1333 C CD1 . ILE A 173 ? 0.6066 0.5812 0.4348 0.1954 0.1268 0.1101 173 ILE A CD1 1334 N N . ARG A 174 ? 0.5789 0.6639 0.4581 0.2432 0.1398 0.0428 174 ARG A N 1335 C CA . ARG A 174 ? 0.5324 0.6465 0.4229 0.2447 0.1462 0.0328 174 ARG A CA 1336 C C . ARG A 174 ? 0.5792 0.6786 0.4580 0.2491 0.1265 0.0156 174 ARG A C 1337 O O . ARG A 174 ? 0.5396 0.6548 0.4140 0.2540 0.1317 0.0079 174 ARG A O 1338 C CB . ARG A 174 ? 0.4740 0.6188 0.4112 0.2389 0.1508 0.0286 174 ARG A CB 1339 C CG . ARG A 174 ? 0.6216 0.7953 0.5781 0.2306 0.1770 0.0453 174 ARG A CG 1340 C CD . ARG A 174 ? 0.6465 0.8575 0.6541 0.2249 0.1797 0.0373 174 ARG A CD 1341 N NE . ARG A 174 ? 0.8237 1.0640 0.8536 0.2078 0.2033 0.0520 174 ARG A NE 1342 C CZ . ARG A 174 ? 0.9975 1.2308 1.0530 0.1870 0.1989 0.0618 174 ARG A CZ 1343 N NH1 . ARG A 174 ? 1.0344 1.2386 1.0958 0.1866 0.1751 0.0587 174 ARG A NH1 1344 N NH2 . ARG A 174 ? 1.0945 1.3502 1.1699 0.1661 0.2189 0.0742 174 ARG A NH2 1345 N N . ALA A 175 ? 0.5493 0.6194 0.4242 0.2451 0.1053 0.0099 175 ALA A N 1346 C CA . ALA A 175 ? 0.4933 0.5487 0.3583 0.2449 0.0893 -0.0039 175 ALA A CA 1347 C C . ALA A 175 ? 0.6407 0.6897 0.4726 0.2528 0.0905 -0.0040 175 ALA A C 1348 O O . ALA A 175 ? 0.6785 0.7253 0.5045 0.2553 0.0834 -0.0153 175 ALA A O 1349 C CB . ALA A 175 ? 0.5070 0.5360 0.3759 0.2338 0.0700 -0.0081 175 ALA A CB 1350 N N . VAL A 176 ? 0.6039 0.6489 0.4141 0.2574 0.0998 0.0089 176 VAL A N 1351 C CA . VAL A 176 ? 0.7500 0.7855 0.5261 0.2656 0.0981 0.0094 176 VAL A CA 1352 C C . VAL A 176 ? 0.8236 0.8819 0.5855 0.2724 0.1186 0.0155 176 VAL A C 1353 O O . VAL A 176 ? 0.8949 0.9544 0.6375 0.2794 0.1163 0.0089 176 VAL A O 1354 C CB . VAL A 176 ? 0.6661 0.6766 0.4199 0.2672 0.0924 0.0192 176 VAL A CB 1355 C CG1 . VAL A 176 ? 0.7258 0.7264 0.4463 0.2768 0.0869 0.0176 176 VAL A CG1 1356 C CG2 . VAL A 176 ? 0.6867 0.6781 0.4558 0.2570 0.0732 0.0126 176 VAL A CG2 1357 N N . LEU A 177 ? 0.7915 0.8694 0.5645 0.2682 0.1392 0.0278 177 LEU A N 1358 C CA . LEU A 177 ? 0.9177 1.0196 0.6784 0.2689 0.1614 0.0354 177 LEU A CA 1359 C C . LEU A 177 ? 1.0418 1.1690 0.8181 0.2726 0.1628 0.0188 177 LEU A C 1360 O O . LEU A 177 ? 1.1619 1.2891 0.9169 0.2802 0.1602 0.0115 177 LEU A O 1361 C CB . LEU A 177 ? 0.8696 0.9890 0.6447 0.2576 0.1844 0.0532 177 LEU A CB 1362 C CG . LEU A 177 ? 0.8349 0.9269 0.5914 0.2523 0.1865 0.0730 177 LEU A CG 1363 C CD1 . LEU A 177 ? 0.7532 0.8635 0.5296 0.2363 0.2106 0.0920 177 LEU A CD1 1364 C CD2 . LEU A 177 ? 0.9139 0.9808 0.6212 0.2574 0.1838 0.0821 177 LEU A CD2 1365 N N . ARG B 1 ? 0.8879 0.8255 0.8136 0.0849 -0.2105 -0.2146 1232 ARG B N 1366 C CA . ARG B 1 ? 0.7914 0.7453 0.7671 0.0575 -0.2103 -0.2057 1232 ARG B CA 1367 C C . ARG B 1 ? 0.7478 0.7451 0.7554 0.0595 -0.1914 -0.1848 1232 ARG B C 1368 O O . ARG B 1 ? 0.6726 0.6766 0.7085 0.0469 -0.1775 -0.1724 1232 ARG B O 1369 C CB . ARG B 1 ? 0.8737 0.8458 0.8716 0.0349 -0.2370 -0.2187 1232 ARG B CB 1370 C CG . ARG B 1 ? 0.8673 0.8664 0.9161 0.0001 -0.2360 -0.2105 1232 ARG B CG 1371 C CD . ARG B 1 ? 0.8530 0.9090 0.9363 -0.0173 -0.2502 -0.2143 1232 ARG B CD 1372 N NE . ARG B 1 ? 0.9432 0.9760 1.0000 -0.0230 -0.2689 -0.2278 1232 ARG B NE 1373 C CZ . ARG B 1 ? 1.0217 1.0997 1.0990 -0.0353 -0.2822 -0.2324 1232 ARG B CZ 1374 N NH1 . ARG B 1 ? 1.0851 1.1382 1.1353 -0.0408 -0.3001 -0.2455 1232 ARG B NH1 1375 N NH2 . ARG B 1 ? 0.9546 1.1047 1.0777 -0.0395 -0.2774 -0.2245 1232 ARG B NH2 1376 N N . LYS B 2 ? 0.6177 0.6375 0.6141 0.0756 -0.1931 -0.1811 1233 LYS B N 1377 C CA . LYS B 2 ? 0.5550 0.6046 0.5726 0.0799 -0.1806 -0.1638 1233 LYS B CA 1378 C C . LYS B 2 ? 0.5541 0.5915 0.5629 0.0846 -0.1547 -0.1482 1233 LYS B C 1379 O O . LYS B 2 ? 0.4335 0.4880 0.4708 0.0791 -0.1424 -0.1356 1233 LYS B O 1380 C CB . LYS B 2 ? 0.5784 0.6367 0.5717 0.0976 -0.1932 -0.1628 1233 LYS B CB 1381 C CG . LYS B 2 ? 0.6100 0.6903 0.6216 0.1043 -0.1881 -0.1491 1233 LYS B CG 1382 C CD . LYS B 2 ? 0.6863 0.7581 0.6627 0.1241 -0.2047 -0.1472 1233 LYS B CD 1383 C CE . LYS B 2 ? 0.7420 0.8195 0.7271 0.1334 -0.1991 -0.1341 1233 LYS B CE 1384 N NZ . LYS B 2 ? 0.8248 0.8692 0.7631 0.1502 -0.2092 -0.1266 1233 LYS B NZ 1385 N N . LYS B 3 ? 0.4948 0.5100 0.4650 0.0958 -0.1466 -0.1504 1234 LYS B N 1386 C CA . LYS B 3 ? 0.5121 0.5296 0.4779 0.1002 -0.1229 -0.1370 1234 LYS B CA 1387 C C . LYS B 3 ? 0.4496 0.4580 0.4429 0.0924 -0.1150 -0.1358 1234 LYS B C 1388 O O . LYS B 3 ? 0.4612 0.4804 0.4686 0.0917 -0.0984 -0.1222 1234 LYS B O 1389 C CB . LYS B 3 ? 0.5763 0.5894 0.4975 0.1148 -0.1146 -0.1417 1234 LYS B CB 1390 C CG . LYS B 3 ? 0.6508 0.6426 0.5557 0.1267 -0.1171 -0.1603 1234 LYS B CG 1391 C CD . LYS B 3 ? 0.7222 0.7246 0.5805 0.1443 -0.1109 -0.1682 1234 LYS B CD 1392 C CE . LYS B 3 ? 0.8938 0.8722 0.7266 0.1649 -0.1178 -0.1927 1234 LYS B CE 1393 N NZ . LYS B 3 ? 0.9016 0.9019 0.6875 0.1836 -0.1112 -0.2023 1234 LYS B NZ 1394 N N . GLU B 4 ? 0.4531 0.4365 0.4495 0.0844 -0.1291 -0.1493 1235 GLU B N 1395 C CA . GLU B 4 ? 0.5556 0.5175 0.5685 0.0726 -0.1255 -0.1457 1235 GLU B CA 1396 C C . GLU B 4 ? 0.4265 0.4191 0.4832 0.0516 -0.1205 -0.1314 1235 GLU B C 1397 O O . GLU B 4 ? 0.3914 0.3804 0.4609 0.0458 -0.1080 -0.1196 1235 GLU B O 1398 C CB . GLU B 4 ? 0.6849 0.5994 0.6799 0.0636 -0.1460 -0.1627 1235 GLU B CB 1399 C CG . GLU B 4 ? 0.8873 0.7634 0.8864 0.0483 -0.1456 -0.1563 1235 GLU B CG 1400 C CD . GLU B 4 ? 1.0481 0.8626 1.0217 0.0325 -0.1704 -0.1713 1235 GLU B CD 1401 O OE1 . GLU B 4 ? 1.0698 0.8706 1.0202 0.0394 -0.1876 -0.1902 1235 GLU B OE1 1402 O OE2 . GLU B 4 ? 1.0541 0.8284 1.0255 0.0114 -0.1743 -0.1636 1235 GLU B OE2 1403 N N . PHE B 5 ? 0.4455 0.4721 0.5232 0.0436 -0.1308 -0.1339 1236 PHE B N 1404 C CA . PHE B 5 ? 0.3322 0.4018 0.4508 0.0310 -0.1252 -0.1237 1236 PHE B CA 1405 C C . PHE B 5 ? 0.2804 0.3633 0.3991 0.0465 -0.1076 -0.1092 1236 PHE B C 1406 O O . PHE B 5 ? 0.2787 0.3767 0.4196 0.0389 -0.0953 -0.0983 1236 PHE B O 1407 C CB . PHE B 5 ? 0.3687 0.4808 0.5081 0.0283 -0.1429 -0.1338 1236 PHE B CB 1408 N N . ILE B 6 ? 0.3114 0.3870 0.4013 0.0650 -0.1071 -0.1083 1237 ILE B N 1409 C CA . ILE B 6 ? 0.2820 0.3636 0.3661 0.0739 -0.0935 -0.0942 1237 ILE B CA 1410 C C . ILE B 6 ? 0.3140 0.3854 0.3992 0.0717 -0.0754 -0.0853 1237 ILE B C 1411 O O . ILE B 6 ? 0.2914 0.3752 0.3936 0.0691 -0.0650 -0.0746 1237 ILE B O 1412 C CB . ILE B 6 ? 0.3203 0.3897 0.3645 0.0857 -0.0974 -0.0923 1237 ILE B CB 1413 C CG1 . ILE B 6 ? 0.3645 0.4394 0.4031 0.0928 -0.1190 -0.1003 1237 ILE B CG1 1414 C CG2 . ILE B 6 ? 0.3380 0.4067 0.3715 0.0871 -0.0856 -0.0766 1237 ILE B CG2 1415 C CD1 . ILE B 6 ? 0.4077 0.4605 0.3979 0.1008 -0.1282 -0.1021 1237 ILE B CD1 1416 N N . MET B 7 ? 0.3128 0.3623 0.3778 0.0767 -0.0734 -0.0919 1238 MET B N 1417 C CA . MET B 7 ? 0.2904 0.3315 0.3539 0.0814 -0.0600 -0.0864 1238 MET B CA 1418 C C . MET B 7 ? 0.3147 0.3480 0.4028 0.0678 -0.0584 -0.0801 1238 MET B C 1419 O O . MET B 7 ? 0.3132 0.3518 0.4089 0.0691 -0.0466 -0.0691 1238 MET B O 1420 C CB . MET B 7 ? 0.3520 0.3709 0.3862 0.0967 -0.0626 -0.1000 1238 MET B CB 1421 C CG . MET B 7 ? 0.4442 0.4615 0.4725 0.1114 -0.0510 -0.0976 1238 MET B CG 1422 S SD . MET B 7 ? 0.4875 0.5538 0.5186 0.1154 -0.0319 -0.0844 1238 MET B SD 1423 C CE . MET B 7 ? 0.7813 0.8649 0.7857 0.1142 -0.0339 -0.0887 1238 MET B CE 1424 N N . ALA B 8 ? 0.3514 0.3742 0.4498 0.0515 -0.0707 -0.0863 1239 ALA B N 1425 C CA . ALA B 8 ? 0.3114 0.3303 0.4290 0.0307 -0.0682 -0.0775 1239 ALA B CA 1426 C C . ALA B 8 ? 0.3576 0.4213 0.5040 0.0265 -0.0566 -0.0655 1239 ALA B C 1427 O O . ALA B 8 ? 0.3142 0.3773 0.4676 0.0190 -0.0463 -0.0537 1239 ALA B O 1428 C CB . ALA B 8 ? 0.3493 0.3580 0.4734 0.0059 -0.0842 -0.0857 1239 ALA B CB 1429 N N . GLU B 9 ? 0.2382 0.3357 0.3950 0.0345 -0.0600 -0.0692 1240 GLU B N 1430 C CA . GLU B 9 ? 0.2280 0.3633 0.4057 0.0372 -0.0527 -0.0621 1240 GLU B CA 1431 C C . GLU B 9 ? 0.2721 0.3964 0.4353 0.0501 -0.0402 -0.0517 1240 GLU B C 1432 O O . GLU B 9 ? 0.2305 0.3702 0.4054 0.0488 -0.0305 -0.0432 1240 GLU B O 1433 C CB . GLU B 9 ? 0.1988 0.3637 0.3832 0.0488 -0.0650 -0.0712 1240 GLU B CB 1434 C CG . GLU B 9 ? 0.1959 0.3997 0.3998 0.0570 -0.0600 -0.0681 1240 GLU B CG 1435 C CD . GLU B 9 ? 0.3475 0.5731 0.5495 0.0770 -0.0751 -0.0783 1240 GLU B CD 1436 O OE1 . GLU B 9 ? 0.2760 0.4832 0.4585 0.0867 -0.0905 -0.0857 1240 GLU B OE1 1437 O OE2 . GLU B 9 ? 0.2909 0.5384 0.4965 0.0815 -0.0691 -0.0760 1240 GLU B OE2 1438 N N . LEU B 10 ? 0.2359 0.3391 0.3733 0.0608 -0.0403 -0.0528 1241 LEU B N 1439 C CA . LEU B 10 ? 0.2372 0.3385 0.3627 0.0680 -0.0294 -0.0435 1241 LEU B CA 1440 C C . LEU B 10 ? 0.2241 0.3192 0.3570 0.0653 -0.0195 -0.0365 1241 LEU B C 1441 O O . LEU B 10 ? 0.2213 0.3271 0.3594 0.0664 -0.0116 -0.0276 1241 LEU B O 1442 C CB . LEU B 10 ? 0.2495 0.3425 0.3481 0.0751 -0.0291 -0.0464 1241 LEU B CB 1443 C CG . LEU B 10 ? 0.2464 0.3494 0.3343 0.0780 -0.0180 -0.0386 1241 LEU B CG 1444 C CD1 . LEU B 10 ? 0.2804 0.3893 0.3676 0.0726 -0.0171 -0.0285 1241 LEU B CD1 1445 C CD2 . LEU B 10 ? 0.2978 0.4073 0.3604 0.0815 -0.0169 -0.0432 1241 LEU B CD2 1446 N N . LEU B 11 ? 0.2499 0.3205 0.3766 0.0632 -0.0228 -0.0410 1242 LEU B N 1447 C CA . LEU B 11 ? 0.2400 0.2902 0.3623 0.0632 -0.0179 -0.0340 1242 LEU B CA 1448 C C . LEU B 11 ? 0.2836 0.3417 0.4232 0.0450 -0.0137 -0.0236 1242 LEU B C 1449 O O . LEU B 11 ? 0.2535 0.3124 0.3919 0.0468 -0.0055 -0.0131 1242 LEU B O 1450 C CB . LEU B 11 ? 0.3246 0.3313 0.4245 0.0680 -0.0278 -0.0431 1242 LEU B CB 1451 C CG . LEU B 11 ? 0.3829 0.3890 0.4619 0.0924 -0.0290 -0.0549 1242 LEU B CG 1452 C CD1 . LEU B 11 ? 0.4579 0.4140 0.5099 0.1011 -0.0429 -0.0678 1242 LEU B CD1 1453 C CD2 . LEU B 11 ? 0.3722 0.4001 0.4492 0.1097 -0.0187 -0.0497 1242 LEU B CD2 1454 N N A GLN B 12 ? 0.2603 0.3316 0.4158 0.0271 -0.0192 -0.0269 1243 GLN B N 1455 N N B GLN B 12 ? 0.2618 0.3331 0.4174 0.0270 -0.0191 -0.0268 1243 GLN B N 1456 C CA A GLN B 12 ? 0.2679 0.3622 0.4417 0.0061 -0.0131 -0.0177 1243 GLN B CA 1457 C CA B GLN B 12 ? 0.2719 0.3660 0.4454 0.0065 -0.0126 -0.0173 1243 GLN B CA 1458 C C A GLN B 12 ? 0.2690 0.4061 0.4577 0.0162 -0.0026 -0.0132 1243 GLN B C 1459 C C B GLN B 12 ? 0.2702 0.4054 0.4574 0.0174 -0.0023 -0.0127 1243 GLN B C 1460 O O A GLN B 12 ? 0.2415 0.3902 0.4334 0.0079 0.0072 -0.0025 1243 GLN B O 1461 O O B GLN B 12 ? 0.2234 0.3671 0.4119 0.0112 0.0076 -0.0019 1243 GLN B O 1462 C CB A GLN B 12 ? 0.2066 0.3231 0.3994 -0.0167 -0.0217 -0.0249 1243 GLN B CB 1463 C CB B GLN B 12 ? 0.2564 0.3754 0.4501 -0.0166 -0.0205 -0.0239 1243 GLN B CB 1464 C CG A GLN B 12 ? 0.3319 0.3977 0.5057 -0.0375 -0.0337 -0.0267 1243 GLN B CG 1465 C CG B GLN B 12 ? 0.3043 0.4623 0.5182 -0.0425 -0.0112 -0.0138 1243 GLN B CG 1466 C CD A GLN B 12 ? 0.5207 0.5399 0.6706 -0.0533 -0.0302 -0.0113 1243 GLN B CD 1467 C CD B GLN B 12 ? 0.5323 0.6507 0.7227 -0.0539 -0.0030 0.0035 1243 GLN B CD 1468 O OE1 A GLN B 12 ? 0.4347 0.3972 0.5518 -0.0355 -0.0344 -0.0105 1243 GLN B OE1 1469 O OE1 B GLN B 12 ? 0.6583 0.7108 0.8176 -0.0550 -0.0111 0.0062 1243 GLN B OE1 1470 N NE2 A GLN B 12 ? 0.6178 0.6629 0.7809 -0.0859 -0.0235 0.0008 1243 GLN B NE2 1471 N NE2 B GLN B 12 ? 0.4418 0.5978 0.6420 -0.0584 0.0113 0.0141 1243 GLN B NE2 1472 N N . THR B 13 ? 0.2045 0.3585 0.3953 0.0339 -0.0064 -0.0210 1244 THR B N 1473 C CA . THR B 13 ? 0.2294 0.4102 0.4248 0.0467 -0.0017 -0.0195 1244 THR B CA 1474 C C . THR B 13 ? 0.2174 0.3770 0.3946 0.0557 0.0051 -0.0109 1244 THR B C 1475 O O . THR B 13 ? 0.2099 0.3837 0.3871 0.0615 0.0105 -0.0068 1244 THR B O 1476 C CB . THR B 13 ? 0.2118 0.4031 0.4048 0.0626 -0.0134 -0.0304 1244 THR B CB 1477 O OG1 . THR B 13 ? 0.2175 0.3759 0.3874 0.0676 -0.0192 -0.0314 1244 THR B OG1 1478 C CG2 . THR B 13 ? 0.1690 0.3947 0.3843 0.0581 -0.0223 -0.0415 1244 THR B CG2 1479 N N . GLU B 14 ? 0.1932 0.3251 0.3550 0.0586 0.0039 -0.0101 1245 GLU B N 1480 C CA . GLU B 14 ? 0.1801 0.3040 0.3294 0.0667 0.0094 -0.0034 1245 GLU B CA 1481 C C . GLU B 14 ? 0.2393 0.3561 0.3880 0.0621 0.0160 0.0064 1245 GLU B C 1482 O O . GLU B 14 ? 0.2296 0.3545 0.3745 0.0673 0.0209 0.0127 1245 GLU B O 1483 C CB . GLU B 14 ? 0.1785 0.2890 0.3138 0.0747 0.0070 -0.0078 1245 GLU B CB 1484 C CG . GLU B 14 ? 0.2500 0.3695 0.3775 0.0844 0.0117 -0.0033 1245 GLU B CG 1485 C CD . GLU B 14 ? 0.2527 0.3894 0.3745 0.0792 0.0116 -0.0020 1245 GLU B CD 1486 O OE1 . GLU B 14 ? 0.2280 0.3651 0.3477 0.0749 0.0070 -0.0037 1245 GLU B OE1 1487 O OE2 . GLU B 14 ? 0.2473 0.3936 0.3626 0.0786 0.0137 0.0007 1245 GLU B OE2 1488 N N . LYS B 15 ? 0.2396 0.3357 0.3865 0.0504 0.0142 0.0085 1246 LYS B N 1489 C CA . LYS B 15 ? 0.2443 0.3237 0.3811 0.0408 0.0189 0.0212 1246 LYS B CA 1490 C C . LYS B 15 ? 0.2766 0.3949 0.4274 0.0314 0.0287 0.0274 1246 LYS B C 1491 O O . LYS B 15 ? 0.2663 0.3834 0.4059 0.0328 0.0351 0.0377 1246 LYS B O 1492 C CB . LYS B 15 ? 0.2768 0.3176 0.4019 0.0221 0.0119 0.0235 1246 LYS B CB 1493 C CG . LYS B 15 ? 0.3611 0.3538 0.4620 0.0381 0.0003 0.0158 1246 LYS B CG 1494 C CD . LYS B 15 ? 0.4654 0.4085 0.5483 0.0180 -0.0113 0.0156 1246 LYS B CD 1495 C CE . LYS B 15 ? 0.5503 0.4502 0.6082 0.0415 -0.0250 0.0013 1246 LYS B CE 1496 N NZ . LYS B 15 ? 0.6473 0.5052 0.6914 0.0227 -0.0394 -0.0058 1246 LYS B NZ 1497 N N . ALA B 16 ? 0.2427 0.3986 0.4159 0.0254 0.0288 0.0194 1247 ALA B N 1498 C CA . ALA B 16 ? 0.2303 0.4345 0.4177 0.0229 0.0376 0.0203 1247 ALA B CA 1499 C C . ALA B 16 ? 0.2129 0.4233 0.3911 0.0456 0.0392 0.0185 1247 ALA B C 1500 O O . ALA B 16 ? 0.2224 0.4542 0.3971 0.0474 0.0477 0.0234 1247 ALA B O 1501 C CB . ALA B 16 ? 0.2485 0.4975 0.4621 0.0205 0.0334 0.0074 1247 ALA B CB 1502 N N . TYR B 17 ? 0.2084 0.3995 0.3791 0.0601 0.0303 0.0116 1248 TYR B N 1503 C CA . TYR B 17 ? 0.2475 0.4232 0.3975 0.0703 0.0259 0.0079 1248 TYR B CA 1504 C C . TYR B 17 ? 0.2399 0.4079 0.3779 0.0729 0.0316 0.0187 1248 TYR B C 1505 O O . TYR B 17 ? 0.2374 0.4090 0.3633 0.0773 0.0326 0.0189 1248 TYR B O 1506 C CB . TYR B 17 ? 0.2343 0.3876 0.3743 0.0732 0.0156 0.0023 1248 TYR B CB 1507 C CG . TYR B 17 ? 0.2307 0.3718 0.3507 0.0785 0.0098 0.0020 1248 TYR B CG 1508 C CD1 . TYR B 17 ? 0.2345 0.3763 0.3439 0.0875 0.0046 -0.0031 1248 TYR B CD1 1509 C CD2 . TYR B 17 ? 0.2338 0.3695 0.3459 0.0767 0.0081 0.0057 1248 TYR B CD2 1510 C CE1 . TYR B 17 ? 0.2758 0.4050 0.3646 0.0959 -0.0047 -0.0043 1248 TYR B CE1 1511 C CE2 . TYR B 17 ? 0.2700 0.4068 0.3684 0.0809 0.0013 0.0068 1248 TYR B CE2 1512 C CZ . TYR B 17 ? 0.3063 0.4314 0.3897 0.0889 -0.0068 0.0018 1248 TYR B CZ 1513 O OH . TYR B 17 ? 0.3336 0.4368 0.3903 0.0833 -0.0182 0.0019 1248 TYR B OH 1514 N N . VAL B 18 ? 0.2036 0.3564 0.3411 0.0727 0.0329 0.0262 1249 VAL B N 1515 C CA . VAL B 18 ? 0.2655 0.4048 0.3871 0.0781 0.0347 0.0353 1249 VAL B CA 1516 C C . VAL B 18 ? 0.3331 0.4769 0.4471 0.0701 0.0433 0.0462 1249 VAL B C 1517 O O . VAL B 18 ? 0.2909 0.4390 0.3914 0.0775 0.0453 0.0512 1249 VAL B O 1518 C CB . VAL B 18 ? 0.2130 0.3232 0.3255 0.0824 0.0296 0.0365 1249 VAL B CB 1519 C CG1 . VAL B 18 ? 0.2766 0.3656 0.3669 0.0917 0.0281 0.0465 1249 VAL B CG1 1520 C CG2 . VAL B 18 ? 0.2518 0.3719 0.3690 0.0919 0.0240 0.0261 1249 VAL B CG2 1521 N N . ARG B 19 ? 0.2387 0.3854 0.3598 0.0522 0.0481 0.0500 1250 ARG B N 1522 C CA . ARG B 19 ? 0.3174 0.4781 0.4307 0.0368 0.0588 0.0622 1250 ARG B CA 1523 C C . ARG B 19 ? 0.3230 0.5316 0.4430 0.0465 0.0665 0.0564 1250 ARG B C 1524 O O . ARG B 19 ? 0.3203 0.5386 0.4234 0.0453 0.0746 0.0657 1250 ARG B O 1525 C CB . ARG B 19 ? 0.3509 0.5177 0.4751 0.0087 0.0620 0.0659 1250 ARG B CB 1526 C CG . ARG B 19 ? 0.5166 0.6214 0.6155 -0.0071 0.0547 0.0776 1250 ARG B CG 1527 C CD . ARG B 19 ? 0.6545 0.7656 0.7608 -0.0441 0.0566 0.0828 1250 ARG B CD 1528 N NE . ARG B 19 ? 0.7423 0.7791 0.8194 -0.0576 0.0432 0.0893 1250 ARG B NE 1529 C CZ . ARG B 19 ? 0.9431 0.9280 0.9810 -0.0819 0.0410 0.1089 1250 ARG B CZ 1530 N NH1 . ARG B 19 ? 1.0067 1.0143 1.0324 -0.0983 0.0544 0.1257 1250 ARG B NH1 1531 N NH2 . ARG B 19 ? 0.9695 0.8745 0.9739 -0.0894 0.0238 0.1116 1250 ARG B NH2 1532 N N . ASP B 20 ? 0.2491 0.4834 0.3877 0.0585 0.0620 0.0404 1251 ASP B N 1533 C CA . ASP B 20 ? 0.2163 0.4737 0.3485 0.0707 0.0610 0.0281 1251 ASP B CA 1534 C C . ASP B 20 ? 0.2833 0.5181 0.3907 0.0861 0.0551 0.0275 1251 ASP B C 1535 O O . ASP B 20 ? 0.2902 0.5416 0.3833 0.0934 0.0595 0.0270 1251 ASP B O 1536 C CB . ASP B 20 ? 0.2699 0.5231 0.4088 0.0771 0.0485 0.0098 1251 ASP B CB 1537 C CG . ASP B 20 ? 0.3374 0.6275 0.5003 0.0652 0.0532 0.0061 1251 ASP B CG 1538 O OD1 . ASP B 20 ? 0.3178 0.6431 0.4900 0.0481 0.0669 0.0158 1251 ASP B OD1 1539 O OD2 . ASP B 20 ? 0.3139 0.5994 0.4841 0.0707 0.0427 -0.0050 1251 ASP B OD2 1540 N N . LEU B 21 ? 0.2557 0.4579 0.3575 0.0895 0.0448 0.0266 1252 LEU B N 1541 C CA . LEU B 21 ? 0.2984 0.4866 0.3804 0.0992 0.0382 0.0264 1252 LEU B CA 1542 C C . LEU B 21 ? 0.3407 0.5389 0.4139 0.1041 0.0480 0.0417 1252 LEU B C 1543 O O . LEU B 21 ? 0.3159 0.5190 0.3705 0.1140 0.0468 0.0409 1252 LEU B O 1544 C CB . LEU B 21 ? 0.2739 0.4392 0.3556 0.0962 0.0273 0.0238 1252 LEU B CB 1545 C CG . LEU B 21 ? 0.3300 0.4846 0.4144 0.0940 0.0180 0.0137 1252 LEU B CG 1546 C CD1 . LEU B 21 ? 0.3216 0.4705 0.4024 0.0916 0.0099 0.0146 1252 LEU B CD1 1547 C CD2 . LEU B 21 ? 0.3120 0.4672 0.3850 0.1052 0.0118 0.0034 1252 LEU B CD2 1548 N N . HIS B 22 ? 0.2803 0.4629 0.3545 0.0929 0.0524 0.0539 1253 HIS B N 1549 C CA . HIS B 22 ? 0.3405 0.5075 0.3901 0.0909 0.0562 0.0692 1253 HIS B CA 1550 C C . HIS B 22 ? 0.3422 0.5375 0.3799 0.0859 0.0692 0.0746 1253 HIS B C 1551 O O . HIS B 22 ? 0.3345 0.5281 0.3469 0.0939 0.0697 0.0803 1253 HIS B O 1552 C CB . HIS B 22 ? 0.3578 0.4895 0.4015 0.0788 0.0553 0.0807 1253 HIS B CB 1553 C CG . HIS B 22 ? 0.4035 0.5050 0.4114 0.0742 0.0567 0.0993 1253 HIS B CG 1554 N ND1 . HIS B 22 ? 0.4047 0.4826 0.3881 0.0933 0.0463 0.1032 1253 HIS B ND1 1555 C CD2 . HIS B 22 ? 0.3725 0.4627 0.3611 0.0506 0.0659 0.1160 1253 HIS B CD2 1556 C CE1 . HIS B 22 ? 0.4529 0.4975 0.3986 0.0854 0.0476 0.1219 1253 HIS B CE1 1557 N NE2 . HIS B 22 ? 0.5084 0.5579 0.4548 0.0564 0.0602 0.1314 1253 HIS B NE2 1558 N N . GLU B 23 ? 0.3240 0.5530 0.3800 0.0738 0.0795 0.0714 1254 GLU B N 1559 C CA . GLU B 23 ? 0.3399 0.6141 0.3885 0.0693 0.0945 0.0742 1254 GLU B CA 1560 C C . GLU B 23 ? 0.3562 0.6516 0.3940 0.0969 0.0911 0.0588 1254 GLU B C 1561 O O . GLU B 23 ? 0.3637 0.6742 0.3767 0.1005 0.0983 0.0636 1254 GLU B O 1562 C CB . GLU B 23 ? 0.2487 0.5720 0.3272 0.0532 0.1046 0.0692 1254 GLU B CB 1563 C CG . GLU B 23 ? 0.4373 0.8017 0.5070 0.0352 0.1184 0.0743 1254 GLU B CG 1564 C CD . GLU B 23 ? 0.6298 0.9772 0.6737 0.0029 0.1317 0.1057 1254 GLU B CD 1565 O OE1 . GLU B 23 ? 0.7662 1.0441 0.7959 -0.0030 0.1196 0.1163 1254 GLU B OE1 1566 O OE2 . GLU B 23 ? 0.6933 1.0664 0.7225 -0.0162 0.1426 0.1123 1254 GLU B OE2 1567 N N . CYS B 24 ? 0.3843 0.6623 0.4304 0.1107 0.0738 0.0396 1255 CYS B N 1568 C CA . CYS B 24 ? 0.3874 0.6602 0.4128 0.1314 0.0620 0.0237 1255 CYS B CA 1569 C C . CYS B 24 ? 0.3935 0.6540 0.3941 0.1428 0.0605 0.0310 1255 CYS B C 1570 O O . CYS B 24 ? 0.3982 0.6701 0.3739 0.1563 0.0606 0.0256 1255 CYS B O 1571 C CB . CYS B 24 ? 0.3752 0.6190 0.4047 0.1376 0.0439 0.0079 1255 CYS B CB 1572 S SG . CYS B 24 ? 0.4092 0.6349 0.4053 0.1639 0.0257 -0.0120 1255 CYS B SG 1573 N N . LEU B 25 ? 0.3400 0.5708 0.3437 0.1349 0.0544 0.0413 1256 LEU B N 1574 C CA . LEU B 25 ? 0.3613 0.5727 0.3415 0.1409 0.0452 0.0467 1256 LEU B CA 1575 C C . LEU B 25 ? 0.4822 0.6984 0.4355 0.1394 0.0562 0.0625 1256 LEU B C 1576 O O . LEU B 25 ? 0.4389 0.6529 0.3642 0.1512 0.0504 0.0618 1256 LEU B O 1577 C CB . LEU B 25 ? 0.3429 0.5315 0.3357 0.1352 0.0351 0.0517 1256 LEU B CB 1578 C CG . LEU B 25 ? 0.3696 0.5538 0.3801 0.1329 0.0227 0.0387 1256 LEU B CG 1579 C CD1 . LEU B 25 ? 0.2919 0.4699 0.3184 0.1277 0.0184 0.0434 1256 LEU B CD1 1580 C CD2 . LEU B 25 ? 0.4111 0.5920 0.4033 0.1389 0.0078 0.0274 1256 LEU B CD2 1581 N N . GLU B 26 ? 0.3939 0.6137 0.3504 0.1222 0.0707 0.0776 1257 GLU B N 1582 C CA . GLU B 26 ? 0.4210 0.6331 0.3428 0.1143 0.0796 0.0978 1257 GLU B CA 1583 C C . GLU B 26 ? 0.4641 0.7236 0.3730 0.1110 0.0979 0.0980 1257 GLU B C 1584 O O . GLU B 26 ? 0.5115 0.7700 0.3860 0.1008 0.1078 0.1164 1257 GLU B O 1585 C CB . GLU B 26 ? 0.4015 0.5786 0.3200 0.0924 0.0822 0.1176 1257 GLU B CB 1586 C CG . GLU B 26 ? 0.4334 0.5670 0.3577 0.1028 0.0639 0.1160 1257 GLU B CG 1587 C CD . GLU B 26 ? 0.5491 0.6651 0.4476 0.1253 0.0487 0.1165 1257 GLU B CD 1588 O OE1 . GLU B 26 ? 0.5597 0.6750 0.4228 0.1287 0.0514 0.1261 1257 GLU B OE1 1589 O OE2 . GLU B 26 ? 0.6293 0.7386 0.5432 0.1394 0.0339 0.1067 1257 GLU B OE2 1590 N N . THR B 27 ? 0.4946 0.9002 0.3580 0.1441 0.0097 0.0161 1258 THR B N 1591 C CA . THR B 27 ? 0.5711 0.9740 0.4104 0.1583 0.0115 0.0059 1258 THR B CA 1592 C C . THR B 27 ? 0.5573 0.9430 0.3636 0.1851 0.0035 -0.0019 1258 THR B C 1593 O O . THR B 27 ? 0.5591 0.9086 0.3273 0.1876 -0.0049 -0.0123 1258 THR B O 1594 C CB . THR B 27 ? 0.5328 0.9733 0.3973 0.1615 0.0183 0.0096 1258 THR B CB 1595 O OG1 . THR B 27 ? 0.5852 1.0553 0.4738 0.1736 0.0169 0.0190 1258 THR B OG1 1596 C CG2 . THR B 27 ? 0.4978 0.9729 0.3888 0.1447 0.0205 0.0142 1258 THR B CG2 1597 N N . TYR B 28 ? 0.4956 0.9044 0.3142 0.2058 0.0044 0.0028 1259 TYR B N 1598 C CA . TYR B 28 ? 0.5872 0.9758 0.3717 0.2361 -0.0035 -0.0058 1259 TYR B CA 1599 C C . TYR B 28 ? 0.5829 0.9230 0.3384 0.2337 -0.0233 -0.0102 1259 TYR B C 1600 O O . TYR B 28 ? 0.6305 0.9320 0.3438 0.2471 -0.0367 -0.0248 1259 TYR B O 1601 C CB . TYR B 28 ? 0.4951 0.9184 0.3007 0.2597 0.0019 0.0042 1259 TYR B CB 1602 C CG . TYR B 28 ? 0.4482 0.9147 0.2764 0.2653 0.0124 0.0096 1259 TYR B CG 1603 C CD1 . TYR B 28 ? 0.5168 0.9758 0.3208 0.2749 0.0153 -0.0010 1259 TYR B CD1 1604 C CD2 . TYR B 28 ? 0.4160 0.9270 0.2870 0.2581 0.0158 0.0261 1259 TYR B CD2 1605 C CE1 . TYR B 28 ? 0.5312 1.0248 0.3519 0.2772 0.0218 0.0054 1259 TYR B CE1 1606 C CE2 . TYR B 28 ? 0.4536 0.9967 0.3376 0.2595 0.0178 0.0321 1259 TYR B CE2 1607 C CZ . TYR B 28 ? 0.4601 0.9947 0.3192 0.2692 0.0216 0.0219 1259 TYR B CZ 1608 O OH . TYR B 28 ? 0.5134 1.0783 0.3828 0.2697 0.0243 0.0279 1259 TYR B OH 1609 N N . LEU B 29 ? 0.4914 0.8302 0.2702 0.2145 -0.0284 0.0025 1260 LEU B N 1610 C CA . LEU B 29 ? 0.5413 0.8331 0.3024 0.2079 -0.0545 0.0029 1260 LEU B CA 1611 C C . LEU B 29 ? 0.6019 0.8655 0.3396 0.1886 -0.0619 -0.0047 1260 LEU B C 1612 O O . LEU B 29 ? 0.6120 0.8344 0.3163 0.1933 -0.0841 -0.0149 1260 LEU B O 1613 C CB . LEU B 29 ? 0.5244 0.8211 0.3245 0.1916 -0.0590 0.0224 1260 LEU B CB 1614 C CG . LEU B 29 ? 0.5654 0.8160 0.3637 0.1783 -0.0885 0.0273 1260 LEU B CG 1615 C CD1 . LEU B 29 ? 0.6243 0.8328 0.3970 0.2004 -0.1165 0.0168 1260 LEU B CD1 1616 C CD2 . LEU B 29 ? 0.5232 0.7785 0.3683 0.1609 -0.0901 0.0481 1260 LEU B CD2 1617 N N . TRP B 30 ? 0.5498 0.8332 0.3055 0.1672 -0.0452 0.0004 1261 TRP B N 1618 C CA . TRP B 30 ? 0.5359 0.7935 0.2709 0.1490 -0.0512 -0.0031 1261 TRP B CA 1619 C C . TRP B 30 ? 0.6428 0.8777 0.3346 0.1604 -0.0561 -0.0202 1261 TRP B C 1620 O O . TRP B 30 ? 0.6691 0.8717 0.3328 0.1509 -0.0714 -0.0247 1261 TRP B O 1621 C CB . TRP B 30 ? 0.5359 0.8173 0.2972 0.1292 -0.0310 0.0039 1261 TRP B CB 1622 C CG . TRP B 30 ? 0.5608 0.8174 0.3044 0.1112 -0.0355 0.0044 1261 TRP B CG 1623 C CD1 . TRP B 30 ? 0.5580 0.7953 0.3031 0.0966 -0.0482 0.0142 1261 TRP B CD1 1624 C CD2 . TRP B 30 ? 0.5568 0.8066 0.2804 0.1064 -0.0274 -0.0031 1261 TRP B CD2 1625 N NE1 . TRP B 30 ? 0.6101 0.8306 0.3355 0.0850 -0.0483 0.0131 1261 TRP B NE1 1626 C CE2 . TRP B 30 ? 0.5566 0.7833 0.2677 0.0903 -0.0352 0.0024 1261 TRP B CE2 1627 C CE3 . TRP B 30 ? 0.6089 0.8694 0.3246 0.1144 -0.0152 -0.0121 1261 TRP B CE3 1628 C CZ2 . TRP B 30 ? 0.6178 0.8321 0.3072 0.0826 -0.0300 -0.0014 1261 TRP B CZ2 1629 C CZ3 . TRP B 30 ? 0.6063 0.8587 0.3021 0.1078 -0.0106 -0.0161 1261 TRP B CZ3 1630 C CH2 . TRP B 30 ? 0.6318 0.8635 0.3145 0.0931 -0.0174 -0.0110 1261 TRP B CH2 1631 N N . GLU B 31 ? 0.6242 0.8765 0.3114 0.1804 -0.0440 -0.0289 1262 GLU B N 1632 C CA . GLU B 31 ? 0.6247 0.8561 0.2715 0.1922 -0.0457 -0.0456 1262 GLU B CA 1633 C C . GLU B 31 ? 0.7301 0.9174 0.3380 0.2059 -0.0709 -0.0586 1262 GLU B C 1634 O O . GLU B 31 ? 0.7456 0.9025 0.3166 0.2030 -0.0799 -0.0712 1262 GLU B O 1635 C CB . GLU B 31 ? 0.6130 0.8736 0.2673 0.2123 -0.0280 -0.0497 1262 GLU B CB 1636 C CG . GLU B 31 ? 0.6599 0.9558 0.3462 0.1971 -0.0084 -0.0409 1262 GLU B CG 1637 C CD . GLU B 31 ? 0.8396 1.1174 0.5065 0.1784 -0.0052 -0.0448 1262 GLU B CD 1638 O OE1 . GLU B 31 ? 0.8690 1.1148 0.4946 0.1823 -0.0139 -0.0567 1262 GLU B OE1 1639 O OE2 . GLU B 31 ? 0.8446 1.1384 0.5359 0.1600 0.0054 -0.0365 1262 GLU B OE2 1640 N N . MET B 32 ? 0.8399 1.0216 0.4565 0.2204 -0.0838 -0.0558 1263 MET B N 1641 C CA . MET B 32 ? 0.8874 1.0195 0.4704 0.2340 -0.1129 -0.0693 1263 MET B CA 1642 C C . MET B 32 ? 0.9186 1.0196 0.4970 0.2088 -0.1377 -0.0655 1263 MET B C 1643 O O . MET B 32 ? 0.9798 1.0385 0.5215 0.2095 -0.1582 -0.0813 1263 MET B O 1644 C CB . MET B 32 ? 0.8131 0.9436 0.4121 0.2553 -0.1237 -0.0636 1263 MET B CB 1645 C CG . MET B 32 ? 0.7120 0.8634 0.3045 0.2880 -0.1054 -0.0695 1263 MET B CG 1646 S SD . MET B 32 ? 0.8045 0.9246 0.4226 0.3078 -0.1239 -0.0632 1263 MET B SD 1647 C CE . MET B 32 ? 0.8091 0.8443 0.3860 0.3104 -0.1503 -0.0916 1263 MET B CE 1648 N N . THR B 33 ? 0.8258 0.9481 0.4425 0.1860 -0.1351 -0.0444 1264 THR B N 1649 C CA . THR B 33 ? 0.9197 1.0178 0.5434 0.1637 -0.1598 -0.0350 1264 THR B CA 1650 C C . THR B 33 ? 0.9259 1.0267 0.5374 0.1403 -0.1535 -0.0317 1264 THR B C 1651 O O . THR B 33 ? 0.9626 1.0416 0.5678 0.1247 -0.1752 -0.0278 1264 THR B O 1652 C CB . THR B 33 ? 0.9031 1.0183 0.5782 0.1527 -0.1622 -0.0116 1264 THR B CB 1653 O OG1 . THR B 33 ? 0.7629 0.9156 0.4613 0.1382 -0.1341 0.0006 1264 THR B OG1 1654 C CG2 . THR B 33 ? 0.9023 1.0207 0.5951 0.1757 -0.1647 -0.0107 1264 THR B CG2 1655 N N . SER B 34 ? 0.9290 1.0565 0.5402 0.1383 -0.1248 -0.0324 1265 SER B N 1656 C CA . SER B 34 ? 0.9296 1.0585 0.5325 0.1177 -0.1169 -0.0273 1265 SER B CA 1657 C C . SER B 34 ? 1.0085 1.1074 0.5688 0.1134 -0.1344 -0.0388 1265 SER B C 1658 O O . SER B 34 ? 0.9861 1.0774 0.5402 0.0938 -0.1428 -0.0300 1265 SER B O 1659 C CB . SER B 34 ? 0.9251 1.0820 0.5358 0.1199 -0.0856 -0.0293 1265 SER B CB 1660 O OG . SER B 34 ? 1.0258 1.1864 0.6440 0.1002 -0.0762 -0.0192 1265 SER B OG 1661 N N . GLY B 35 ? 1.0851 1.1668 0.6152 0.1326 -0.1397 -0.0586 1266 GLY B N 1662 C CA . GLY B 35 ? 1.2241 1.2791 0.7104 0.1297 -0.1517 -0.0732 1266 GLY B CA 1663 C C . GLY B 35 ? 1.3066 1.3764 0.7788 0.1225 -0.1282 -0.0740 1266 GLY B C 1664 O O . GLY B 35 ? 1.4254 1.4851 0.8738 0.1071 -0.1343 -0.0738 1266 GLY B O 1665 N N . VAL B 36 ? 1.1648 1.2598 0.6543 0.1334 -0.1022 -0.0739 1267 VAL B N 1666 C CA . VAL B 36 ? 1.1740 1.2822 0.6568 0.1273 -0.0801 -0.0740 1267 VAL B CA 1667 C C . VAL B 36 ? 1.3049 1.4123 0.7648 0.1474 -0.0685 -0.0914 1267 VAL B C 1668 O O . VAL B 36 ? 1.3622 1.4708 0.8044 0.1426 -0.0558 -0.0953 1267 VAL B O 1669 C CB . VAL B 36 ? 1.0733 1.2126 0.5995 0.1199 -0.0592 -0.0585 1267 VAL B CB 1670 C CG1 . VAL B 36 ? 1.0357 1.1847 0.5571 0.1147 -0.0388 -0.0594 1267 VAL B CG1 1671 C CG2 . VAL B 36 ? 1.1038 1.2406 0.6497 0.1011 -0.0682 -0.0421 1267 VAL B CG2 1672 N N . GLU B 37 ? 1.2664 1.3691 0.7250 0.1708 -0.0731 -0.1017 1268 GLU B N 1673 C CA . GLU B 37 ? 1.3393 1.4410 0.7781 0.1933 -0.0609 -0.1173 1268 GLU B CA 1674 C C . GLU B 37 ? 1.4466 1.5093 0.8481 0.2135 -0.0784 -0.1383 1268 GLU B C 1675 O O . GLU B 37 ? 1.5159 1.5467 0.8974 0.2049 -0.1026 -0.1438 1268 GLU B O 1676 C CB . GLU B 37 ? 1.4327 1.5726 0.9103 0.2078 -0.0415 -0.1091 1268 GLU B CB 1677 C CG . GLU B 37 ? 1.5042 1.6660 0.9847 0.2083 -0.0189 -0.1091 1268 GLU B CG 1678 C CD . GLU B 37 ? 1.5309 1.6952 1.0126 0.1811 -0.0130 -0.1004 1268 GLU B CD 1679 O OE1 . GLU B 37 ? 1.5542 1.7125 1.0115 0.1786 -0.0039 -0.1074 1268 GLU B OE1 1680 O OE2 . GLU B 37 ? 1.5333 1.7038 1.0390 0.1632 -0.0168 -0.0867 1268 GLU B OE2 1681 N N . GLU B 38 ? 1.4352 1.4983 0.8281 0.2401 -0.0665 -0.1502 1269 GLU B N 1682 C CA . GLU B 38 ? 1.4512 1.4694 0.8036 0.2615 -0.0790 -0.1738 1269 GLU B CA 1683 C C . GLU B 38 ? 1.4000 1.4159 0.7657 0.2911 -0.0796 -0.1766 1269 GLU B C 1684 O O . GLU B 38 ? 1.3696 1.4139 0.7515 0.3105 -0.0584 -0.1732 1269 GLU B O 1685 C CB . GLU B 38 ? 1.5458 1.5547 0.8642 0.2692 -0.0634 -0.1896 1269 GLU B CB 1686 N N . ILE B 39 ? 1.3871 1.3677 0.7457 0.2943 -0.1054 -0.1823 1270 ILE B N 1687 C CA . ILE B 39 ? 1.2889 1.2630 0.6593 0.3211 -0.1092 -0.1834 1270 ILE B CA 1688 C C . ILE B 39 ? 1.3356 1.2492 0.6631 0.3470 -0.1174 -0.2122 1270 ILE B C 1689 O O . ILE B 39 ? 1.3970 1.2596 0.6889 0.3362 -0.1374 -0.2308 1270 ILE B O 1690 C CB . ILE B 39 ? 1.1585 1.1284 0.5530 0.3078 -0.1341 -0.1699 1270 ILE B CB 1691 C CG1 . ILE B 39 ? 1.0440 1.0688 0.4826 0.2807 -0.1221 -0.1426 1270 ILE B CG1 1692 C CG2 . ILE B 39 ? 1.1565 1.1186 0.5605 0.3360 -0.1395 -0.1701 1270 ILE B CG2 1693 C CD1 . ILE B 39 ? 0.9765 0.9874 0.4259 0.2524 -0.1466 -0.1321 1270 ILE B CD1 1694 N N . PRO B 40 ? 1.1419 1.0601 0.4753 0.3802 -0.1004 -0.2158 1271 PRO B N 1695 C CA . PRO B 40 ? 1.2544 1.1087 0.5523 0.4062 -0.1026 -0.2443 1271 PRO B CA 1696 C C . PRO B 40 ? 1.3205 1.1103 0.6126 0.3979 -0.1372 -0.2561 1271 PRO B C 1697 O O . PRO B 40 ? 1.3141 1.1229 0.6592 0.3820 -0.1503 -0.2309 1271 PRO B O 1698 C CB . PRO B 40 ? 1.3021 1.1853 0.6270 0.4416 -0.0755 -0.2361 1271 PRO B CB 1699 C CG . PRO B 40 ? 1.1103 1.0788 0.4771 0.4298 -0.0567 -0.2054 1271 PRO B CG 1700 C CD . PRO B 40 ? 1.0870 1.0687 0.4645 0.3939 -0.0772 -0.1928 1271 PRO B CD 1701 N N . PRO B 41 ? 1.3114 1.0306 0.5617 0.3990 -0.1502 -0.2860 1272 PRO B N 1702 C CA . PRO B 41 ? 1.3477 1.0105 0.6172 0.3791 -0.1828 -0.2887 1272 PRO B CA 1703 C C . PRO B 41 ? 1.3084 0.9650 0.6461 0.3898 -0.1792 -0.2696 1272 PRO B C 1704 O O . PRO B 41 ? 1.2999 0.9303 0.6722 0.3701 -0.2048 -0.2602 1272 PRO B O 1705 C CB . PRO B 41 ? 1.4391 1.0298 0.6452 0.3831 -0.1896 -0.3282 1272 PRO B CB 1706 C CG . PRO B 41 ? 1.4623 1.0706 0.6441 0.4119 -0.1521 -0.3382 1272 PRO B CG 1707 C CD . PRO B 41 ? 1.5025 1.1986 0.7117 0.4081 -0.1325 -0.3082 1272 PRO B CD 1708 N N . GLY B 42 ? 1.2950 0.9781 0.6526 0.4207 -0.1475 -0.2624 1273 GLY B N 1709 C CA . GLY B 42 ? 1.3638 1.0473 0.7851 0.4341 -0.1407 -0.2415 1273 GLY B CA 1710 C C . GLY B 42 ? 1.2608 0.9970 0.7426 0.4169 -0.1488 -0.2052 1273 GLY B C 1711 O O . GLY B 42 ? 1.1951 0.9214 0.7303 0.4185 -0.1534 -0.1873 1273 GLY B O 1712 N N . ILE B 43 ? 1.1562 0.9468 0.6296 0.4005 -0.1493 -0.1941 1274 ILE B N 1713 C CA . ILE B 43 ? 1.1848 1.0249 0.7114 0.3825 -0.1552 -0.1614 1274 ILE B CA 1714 C C . ILE B 43 ? 1.0698 0.9079 0.5864 0.3481 -0.1820 -0.1587 1274 ILE B C 1715 O O . ILE B 43 ? 0.9661 0.8336 0.5270 0.3302 -0.1900 -0.1334 1274 ILE B O 1716 C CB . ILE B 43 ? 1.1256 1.0464 0.6668 0.3946 -0.1257 -0.1426 1274 ILE B CB 1717 C CG1 . ILE B 43 ? 0.9882 0.9361 0.4744 0.3918 -0.1156 -0.1570 1274 ILE B CG1 1718 C CG2 . ILE B 43 ? 1.0202 0.9526 0.5832 0.4285 -0.1001 -0.1379 1274 ILE B CG2 1719 C CD1 . ILE B 43 ? 0.9483 0.9769 0.4486 0.3990 -0.0882 -0.1392 1274 ILE B CD1 1720 N N . LEU B 44 ? 1.0813 0.8853 0.5400 0.3394 -0.1950 -0.1841 1275 LEU B N 1721 C CA . LEU B 44 ? 1.0719 0.8742 0.5168 0.3085 -0.2208 -0.1815 1275 LEU B CA 1722 C C . LEU B 44 ? 1.0483 0.8306 0.5463 0.2871 -0.2473 -0.1633 1275 LEU B C 1723 O O . LEU B 44 ? 1.0850 0.8179 0.6002 0.2904 -0.2589 -0.1701 1275 LEU B O 1724 C CB . LEU B 44 ? 1.2065 0.9615 0.5815 0.3039 -0.2350 -0.2138 1275 LEU B CB 1725 C CG . LEU B 44 ? 1.3390 1.0948 0.6839 0.2756 -0.2593 -0.2145 1275 LEU B CG 1726 C CD1 . LEU B 44 ? 1.4159 1.1280 0.7830 0.2512 -0.2962 -0.2120 1275 LEU B CD1 1727 C CD2 . LEU B 44 ? 1.2791 1.1032 0.6492 0.2646 -0.2464 -0.1868 1275 LEU B CD2 1728 N N . ASN B 45 ? 0.9870 0.8084 0.5133 0.2659 -0.2544 -0.1393 1276 ASN B N 1729 C CA . ASN B 45 ? 0.9575 0.7679 0.5377 0.2448 -0.2772 -0.1185 1276 ASN B CA 1730 C C . ASN B 45 ? 1.0205 0.8354 0.6614 0.2561 -0.2675 -0.1000 1276 ASN B C 1731 O O . ASN B 45 ? 0.9143 0.7093 0.5991 0.2413 -0.2867 -0.0860 1276 ASN B O 1732 C CB . ASN B 45 ? 1.1066 0.8536 0.6674 0.2281 -0.3118 -0.1358 1276 ASN B CB 1733 C CG . ASN B 45 ? 1.2062 0.9535 0.7176 0.2102 -0.3281 -0.1459 1276 ASN B CG 1734 O OD1 . ASN B 45 ? 1.2411 1.0358 0.7519 0.2023 -0.3198 -0.1305 1276 ASN B OD1 1735 N ND2 . ASN B 45 ? 1.2509 0.9448 0.7201 0.2030 -0.3512 -0.1715 1276 ASN B ND2 1736 N N . LYS B 46 ? 0.9128 0.7555 0.5578 0.2820 -0.2381 -0.0984 1277 LYS B N 1737 C CA . LYS B 46 ? 0.8840 0.7353 0.5852 0.2942 -0.2279 -0.0787 1277 LYS B CA 1738 C C . LYS B 46 ? 0.8152 0.7400 0.5498 0.2959 -0.2050 -0.0519 1277 LYS B C 1739 O O . LYS B 46 ? 0.7866 0.7352 0.5502 0.3151 -0.1858 -0.0395 1277 LYS B O 1740 C CB . LYS B 46 ? 0.9421 0.7631 0.6304 0.3244 -0.2132 -0.0951 1277 LYS B CB 1741 C CG . LYS B 46 ? 1.0169 0.7584 0.6802 0.3225 -0.2344 -0.1213 1277 LYS B CG 1742 C CD . LYS B 46 ? 1.0651 0.7763 0.7247 0.3537 -0.2160 -0.1337 1277 LYS B CD 1743 C CE . LYS B 46 ? 1.2323 0.8600 0.8669 0.3506 -0.2352 -0.1618 1277 LYS B CE 1744 N NZ . LYS B 46 ? 1.2718 0.8661 0.9090 0.3820 -0.2147 -0.1719 1277 LYS B NZ 1745 N N . GLU B 47 ? 0.7242 0.6853 0.4816 0.2933 -0.2794 -0.2039 1278 GLU B N 1746 C CA . GLU B 47 ? 0.7191 0.7081 0.4976 0.2807 -0.2549 -0.1828 1278 GLU B CA 1747 C C . GLU B 47 ? 0.6857 0.6759 0.5134 0.2441 -0.2629 -0.1775 1278 GLU B C 1748 O O . GLU B 47 ? 0.6545 0.6560 0.4997 0.2340 -0.2481 -0.1650 1278 GLU B O 1749 C CB . GLU B 47 ? 0.7699 0.7904 0.5430 0.2888 -0.2363 -0.1664 1278 GLU B CB 1750 C CG . GLU B 47 ? 0.8127 0.8416 0.6047 0.2760 -0.2511 -0.1674 1278 GLU B CG 1751 C CD . GLU B 47 ? 0.8468 0.8663 0.6018 0.3023 -0.2623 -0.1803 1278 GLU B CD 1752 O OE1 . GLU B 47 ? 0.7978 0.7969 0.5163 0.3273 -0.2650 -0.1927 1278 GLU B OE1 1753 O OE2 . GLU B 47 ? 0.8384 0.8719 0.6009 0.2998 -0.2682 -0.1777 1278 GLU B OE2 1754 N N . HIS B 48 ? 0.6935 0.6738 0.5454 0.2247 -0.2857 -0.1861 1279 HIS B N 1755 C CA . HIS B 48 ? 0.7719 0.7537 0.6713 0.1904 -0.2916 -0.1796 1279 HIS B CA 1756 C C . HIS B 48 ? 0.6880 0.6382 0.5886 0.1835 -0.2981 -0.1860 1279 HIS B C 1757 O O . HIS B 48 ? 0.6892 0.6419 0.6219 0.1603 -0.2947 -0.1763 1279 HIS B O 1758 C CB . HIS B 48 ? 0.8140 0.7965 0.7425 0.1710 -0.3130 -0.1860 1279 HIS B CB 1759 C CG . HIS B 48 ? 1.0127 1.0027 0.9926 0.1363 -0.3148 -0.1761 1279 HIS B CG 1760 N ND1 . HIS B 48 ? 0.9794 0.9966 0.9839 0.1245 -0.2942 -0.1564 1279 HIS B ND1 1761 C CD2 . HIS B 48 ? 1.1552 1.1289 1.1669 0.1114 -0.3332 -0.1820 1279 HIS B CD2 1762 C CE1 . HIS B 48 ? 1.0084 1.0265 1.0560 0.0952 -0.2993 -0.1507 1279 HIS B CE1 1763 N NE2 . HIS B 48 ? 1.1355 1.1278 1.1891 0.0858 -0.3221 -0.1651 1279 HIS B NE2 1764 N N . ILE B 49 ? 0.7093 0.6287 0.5737 0.2052 -0.3072 -0.2019 1280 ILE B N 1765 C CA . ILE B 49 ? 0.7222 0.6096 0.5820 0.2034 -0.3121 -0.2073 1280 ILE B CA 1766 C C . ILE B 49 ? 0.7188 0.6231 0.5654 0.2173 -0.2879 -0.1966 1280 ILE B C 1767 O O . ILE B 49 ? 0.6681 0.5667 0.5305 0.2046 -0.2842 -0.1904 1280 ILE B O 1768 C CB . ILE B 49 ? 0.7610 0.6081 0.5876 0.2240 -0.3308 -0.2275 1280 ILE B CB 1769 C CG1 . ILE B 49 ? 0.8637 0.6971 0.7044 0.2115 -0.3563 -0.2390 1280 ILE B CG1 1770 C CG2 . ILE B 49 ? 0.8000 0.6119 0.6223 0.2222 -0.3355 -0.2313 1280 ILE B CG2 1771 C CD1 . ILE B 49 ? 0.9540 0.7868 0.8454 0.1718 -0.3659 -0.2324 1280 ILE B CD1 1772 N N . ILE B 50 ? 0.7116 0.6381 0.5299 0.2437 -0.2710 -0.1935 1281 ILE B N 1773 C CA . ILE B 50 ? 0.6514 0.5998 0.4593 0.2587 -0.2465 -0.1824 1281 ILE B CA 1774 C C . ILE B 50 ? 0.6733 0.6516 0.5247 0.2334 -0.2250 -0.1596 1281 ILE B C 1775 O O . ILE B 50 ? 0.6520 0.6328 0.5173 0.2279 -0.2098 -0.1514 1281 ILE B O 1776 C CB . ILE B 50 ? 0.7011 0.6702 0.4741 0.2901 -0.2291 -0.1799 1281 ILE B CB 1777 C CG1 . ILE B 50 ? 0.7532 0.6922 0.4859 0.3184 -0.2412 -0.1992 1281 ILE B CG1 1778 C CG2 . ILE B 50 ? 0.5953 0.5950 0.3728 0.2985 -0.1973 -0.1627 1281 ILE B CG2 1779 C CD1 . ILE B 50 ? 0.7968 0.7550 0.4927 0.3536 -0.2208 -0.1952 1281 ILE B CD1 1780 N N . PHE B 51 ? 0.6179 0.6182 0.4905 0.2193 -0.2229 -0.1498 1282 PHE B N 1781 C CA . PHE B 51 ? 0.5239 0.5521 0.4338 0.1987 -0.1993 -0.1282 1282 PHE B CA 1782 C C . PHE B 51 ? 0.5521 0.5745 0.5016 0.1667 -0.2088 -0.1239 1282 PHE B C 1783 O O . PHE B 51 ? 0.5045 0.5458 0.4830 0.1501 -0.1909 -0.1077 1282 PHE B O 1784 C CB . PHE B 51 ? 0.5122 0.5694 0.4191 0.2064 -0.1855 -0.1168 1282 PHE B CB 1785 C CG . PHE B 51 ? 0.5672 0.6349 0.4403 0.2352 -0.1671 -0.1138 1282 PHE B CG 1786 C CD1 . PHE B 51 ? 0.4861 0.5722 0.3699 0.2356 -0.1381 -0.0994 1282 PHE B CD1 1787 C CD2 . PHE B 51 ? 0.5978 0.6576 0.4285 0.2625 -0.1790 -0.1256 1282 PHE B CD2 1788 C CE1 . PHE B 51 ? 0.5042 0.6030 0.3622 0.2604 -0.1185 -0.0946 1282 PHE B CE1 1789 C CE2 . PHE B 51 ? 0.6309 0.7015 0.4293 0.2904 -0.1586 -0.1204 1282 PHE B CE2 1790 C CZ . PHE B 51 ? 0.5250 0.6161 0.3392 0.2883 -0.1271 -0.1038 1282 PHE B CZ 1791 N N . GLY B 52 ? 0.5707 0.5667 0.5217 0.1583 -0.2363 -0.1382 1283 GLY B N 1792 C CA . GLY B 52 ? 0.5491 0.5416 0.5400 0.1275 -0.2439 -0.1325 1283 GLY B CA 1793 C C . GLY B 52 ? 0.5134 0.5412 0.5342 0.1143 -0.2339 -0.1182 1283 GLY B C 1794 O O . GLY B 52 ? 0.5237 0.5691 0.5342 0.1267 -0.2377 -0.1208 1283 GLY B O 1795 N N . ASN B 53 ? 0.4840 0.5213 0.5387 0.0918 -0.2208 -0.1031 1284 ASN B N 1796 C CA . ASN B 53 ? 0.4017 0.4717 0.4850 0.0806 -0.2095 -0.0892 1284 ASN B CA 1797 C C . ASN B 53 ? 0.4345 0.5237 0.5171 0.0854 -0.1803 -0.0738 1284 ASN B C 1798 O O . ASN B 53 ? 0.3980 0.5043 0.5069 0.0712 -0.1669 -0.0602 1284 ASN B O 1799 C CB . ASN B 53 ? 0.3557 0.4263 0.4794 0.0525 -0.2152 -0.0828 1284 ASN B CB 1800 C CG . ASN B 53 ? 0.4316 0.4840 0.5626 0.0398 -0.2033 -0.0737 1284 ASN B CG 1801 O OD1 . ASN B 53 ? 0.4632 0.4950 0.5691 0.0512 -0.1998 -0.0778 1284 ASN B OD1 1802 N ND2 . ASN B 53 ? 0.4174 0.4789 0.5823 0.0180 -0.1969 -0.0610 1284 ASN B ND2 1803 N N . ILE B 54 ? 0.4350 0.5220 0.4887 0.1055 -0.1703 -0.0761 1285 ILE B N 1804 C CA . ILE B 54 ? 0.4046 0.5084 0.4616 0.1078 -0.1438 -0.0629 1285 ILE B CA 1805 C C . ILE B 54 ? 0.3793 0.5079 0.4451 0.1089 -0.1318 -0.0519 1285 ILE B C 1806 O O . ILE B 54 ? 0.3681 0.5094 0.4487 0.1021 -0.1125 -0.0398 1285 ILE B O 1807 C CB . ILE B 54 ? 0.4414 0.5413 0.4710 0.1283 -0.1346 -0.0672 1285 ILE B CB 1808 C CG1 . ILE B 54 ? 0.3578 0.4697 0.4008 0.1235 -0.1122 -0.0566 1285 ILE B CG1 1809 C CG2 . ILE B 54 ? 0.4392 0.5482 0.4429 0.1498 -0.1323 -0.0691 1285 ILE B CG2 1810 C CD1 . ILE B 54 ? 0.3271 0.4392 0.3519 0.1412 -0.1038 -0.0611 1285 ILE B CD1 1811 N N . GLN B 55 ? 0.3487 0.4822 0.4044 0.1184 -0.1445 -0.0569 1286 GLN B N 1812 C CA . GLN B 55 ? 0.3495 0.5044 0.4136 0.1204 -0.1364 -0.0465 1286 GLN B CA 1813 C C . GLN B 55 ? 0.3613 0.5286 0.4627 0.0991 -0.1324 -0.0372 1286 GLN B C 1814 O O . GLN B 55 ? 0.2926 0.4729 0.4040 0.0973 -0.1140 -0.0247 1286 GLN B O 1815 C CB . GLN B 55 ? 0.3852 0.5433 0.4330 0.1347 -0.1563 -0.0555 1286 GLN B CB 1816 C CG . GLN B 55 ? 0.4247 0.6043 0.4796 0.1397 -0.1495 -0.0446 1286 GLN B CG 1817 C CD . GLN B 55 ? 0.4930 0.6749 0.5236 0.1571 -0.1254 -0.0324 1286 GLN B CD 1818 O OE1 . GLN B 55 ? 0.5097 0.6838 0.5052 0.1778 -0.1250 -0.0363 1286 GLN B OE1 1819 N NE2 . GLN B 55 ? 0.4474 0.6385 0.4958 0.1492 -0.1045 -0.0174 1286 GLN B NE2 1820 N N . GLU B 56 ? 0.3823 0.5444 0.5039 0.0835 -0.1495 -0.0433 1287 GLU B N 1821 C CA . GLU B 56 ? 0.3623 0.5376 0.5198 0.0638 -0.1451 -0.0338 1287 GLU B CA 1822 C C . GLU B 56 ? 0.2784 0.4496 0.4418 0.0554 -0.1242 -0.0237 1287 GLU B C 1823 O O . GLU B 56 ? 0.2771 0.4631 0.4593 0.0480 -0.1108 -0.0126 1287 GLU B O 1824 C CB . GLU B 56 ? 0.3209 0.4892 0.4998 0.0476 -0.1666 -0.0415 1287 GLU B CB 1825 C CG . GLU B 56 ? 0.4374 0.6186 0.6235 0.0515 -0.1899 -0.0515 1287 GLU B CG 1826 C CD . GLU B 56 ? 0.5499 0.7149 0.6983 0.0720 -0.2070 -0.0677 1287 GLU B CD 1827 O OE1 . GLU B 56 ? 0.4720 0.6113 0.5950 0.0783 -0.2069 -0.0745 1287 GLU B OE1 1828 O OE2 . GLU B 56 ? 0.7236 0.8998 0.8637 0.0829 -0.2174 -0.0728 1287 GLU B OE2 1829 N N . ILE B 57 ? 0.2622 0.4139 0.4082 0.0586 -0.1223 -0.0284 1288 ILE B N 1830 C CA . ILE B 57 ? 0.3039 0.4522 0.4536 0.0527 -0.1058 -0.0210 1288 ILE B CA 1831 C C . ILE B 57 ? 0.2692 0.4316 0.4149 0.0609 -0.0863 -0.0138 1288 ILE B C 1832 O O . ILE B 57 ? 0.2465 0.4159 0.4050 0.0537 -0.0732 -0.0054 1288 ILE B O 1833 C CB . ILE B 57 ? 0.2804 0.4060 0.4132 0.0564 -0.1109 -0.0289 1288 ILE B CB 1834 C CG1 . ILE B 57 ? 0.3506 0.4560 0.4898 0.0451 -0.1290 -0.0340 1288 ILE B CG1 1835 C CG2 . ILE B 57 ? 0.2737 0.3995 0.4073 0.0548 -0.0950 -0.0231 1288 ILE B CG2 1836 C CD1 . ILE B 57 ? 0.3391 0.4162 0.4592 0.0504 -0.1365 -0.0422 1288 ILE B CD1 1837 N N . TYR B 58 ? 0.2832 0.4477 0.4100 0.0762 -0.0842 -0.0166 1289 TYR B N 1838 C CA . TYR B 58 ? 0.2675 0.4425 0.3918 0.0829 -0.0655 -0.0081 1289 TYR B CA 1839 C C . TYR B 58 ? 0.2153 0.4030 0.3549 0.0788 -0.0600 0.0009 1289 TYR B C 1840 O O . TYR B 58 ? 0.2669 0.4579 0.4145 0.0753 -0.0445 0.0083 1289 TYR B O 1841 C CB . TYR B 58 ? 0.3126 0.4874 0.4122 0.1014 -0.0638 -0.0102 1289 TYR B CB 1842 C CG . TYR B 58 ? 0.2812 0.4639 0.3780 0.1082 -0.0444 0.0011 1289 TYR B CG 1843 C CD1 . TYR B 58 ? 0.2517 0.4354 0.3550 0.1047 -0.0260 0.0064 1289 TYR B CD1 1844 C CD2 . TYR B 58 ? 0.3215 0.5095 0.4102 0.1180 -0.0454 0.0065 1289 TYR B CD2 1845 C CE1 . TYR B 58 ? 0.2913 0.4776 0.3939 0.1088 -0.0080 0.0173 1289 TYR B CE1 1846 C CE2 . TYR B 58 ? 0.3125 0.5019 0.3961 0.1248 -0.0269 0.0185 1289 TYR B CE2 1847 C CZ . TYR B 58 ? 0.3491 0.5359 0.4401 0.1192 -0.0077 0.0242 1289 TYR B CZ 1848 O OH . TYR B 58 ? 0.3497 0.5337 0.4376 0.1239 0.0108 0.0366 1289 TYR B OH 1849 N N . ASP B 59 ? 0.1976 0.3927 0.3417 0.0801 -0.0737 -0.0008 1290 ASP B N 1850 C CA . ASP B 59 ? 0.2361 0.4468 0.3953 0.0796 -0.0696 0.0073 1290 ASP B CA 1851 C C . ASP B 59 ? 0.2509 0.4657 0.4324 0.0651 -0.0603 0.0134 1290 ASP B C 1852 O O . ASP B 59 ? 0.2310 0.4523 0.4182 0.0670 -0.0469 0.0213 1290 ASP B O 1853 C CB . ASP B 59 ? 0.2507 0.4735 0.4177 0.0818 -0.0893 0.0025 1290 ASP B CB 1854 C CG . ASP B 59 ? 0.3364 0.5577 0.4763 0.1016 -0.0981 -0.0023 1290 ASP B CG 1855 O OD1 . ASP B 59 ? 0.3396 0.5553 0.4581 0.1147 -0.0833 0.0038 1290 ASP B OD1 1856 O OD2 . ASP B 59 ? 0.3604 0.5858 0.5008 0.1040 -0.1201 -0.0121 1290 ASP B OD2 1857 N N . PHE B 60 ? 0.2048 0.4134 0.3958 0.0525 -0.0672 0.0100 1291 PHE B N 1858 C CA . PHE B 60 ? 0.2183 0.4294 0.4251 0.0411 -0.0575 0.0167 1291 PHE B CA 1859 C C . PHE B 60 ? 0.2441 0.4477 0.4411 0.0440 -0.0410 0.0192 1291 PHE B C 1860 O O . PHE B 60 ? 0.2068 0.4169 0.4109 0.0437 -0.0295 0.0255 1291 PHE B O 1861 C CB . PHE B 60 ? 0.2024 0.4026 0.4160 0.0286 -0.0672 0.0140 1291 PHE B CB 1862 C CG . PHE B 60 ? 0.2533 0.4499 0.4728 0.0202 -0.0555 0.0213 1291 PHE B CG 1863 C CD1 . PHE B 60 ? 0.2405 0.4533 0.4757 0.0173 -0.0443 0.0308 1291 PHE B CD1 1864 C CD2 . PHE B 60 ? 0.1912 0.3682 0.3979 0.0179 -0.0564 0.0184 1291 PHE B CD2 1865 C CE1 . PHE B 60 ? 0.2301 0.4386 0.4652 0.0127 -0.0332 0.0374 1291 PHE B CE1 1866 C CE2 . PHE B 60 ? 0.2341 0.4063 0.4409 0.0131 -0.0467 0.0250 1291 PHE B CE2 1867 C CZ . PHE B 60 ? 0.2591 0.4467 0.4789 0.0106 -0.0349 0.0346 1291 PHE B CZ 1868 N N . HIS B 61 ? 0.2101 0.4014 0.3919 0.0477 -0.0404 0.0135 1292 HIS B N 1869 C CA . HIS B 61 ? 0.1977 0.3845 0.3761 0.0481 -0.0273 0.0141 1292 HIS B CA 1870 C C . HIS B 61 ? 0.2230 0.4133 0.3996 0.0551 -0.0152 0.0186 1292 HIS B C 1871 O O . HIS B 61 ? 0.2227 0.4110 0.4034 0.0531 -0.0047 0.0210 1292 HIS B O 1872 C CB . HIS B 61 ? 0.1999 0.3776 0.3683 0.0499 -0.0300 0.0068 1292 HIS B CB 1873 C CG . HIS B 61 ? 0.2394 0.4075 0.4067 0.0442 -0.0396 0.0035 1292 HIS B CG 1874 N ND1 . HIS B 61 ? 0.1896 0.3528 0.3570 0.0404 -0.0359 0.0036 1292 HIS B ND1 1875 C CD2 . HIS B 61 ? 0.2838 0.4433 0.4480 0.0422 -0.0531 0.0002 1292 HIS B CD2 1876 C CE1 . HIS B 61 ? 0.2264 0.3778 0.3895 0.0372 -0.0452 0.0025 1292 HIS B CE1 1877 N NE2 . HIS B 61 ? 0.2485 0.3961 0.4109 0.0371 -0.0556 0.0003 1292 HIS B NE2 1878 N N . ASN B 62 ? 0.1941 0.3868 0.3621 0.0642 -0.0170 0.0198 1293 ASN B N 1879 C CA . ASN B 62 ? 0.2610 0.4531 0.4242 0.0723 -0.0049 0.0265 1293 ASN B CA 1880 C C . ASN B 62 ? 0.2581 0.4563 0.4297 0.0741 -0.0015 0.0330 1293 ASN B C 1881 O O . ASN B 62 ? 0.2860 0.4774 0.4577 0.0761 0.0110 0.0376 1293 ASN B O 1882 C CB . ASN B 62 ? 0.2310 0.4234 0.3773 0.0852 -0.0077 0.0275 1293 ASN B CB 1883 C CG . ASN B 62 ? 0.3332 0.5198 0.4707 0.0940 0.0081 0.0368 1293 ASN B CG 1884 O OD1 . ASN B 62 ? 0.3326 0.5118 0.4758 0.0885 0.0217 0.0393 1293 ASN B OD1 1885 N ND2 . ASN B 62 ? 0.3451 0.5336 0.4685 0.1078 0.0057 0.0420 1293 ASN B ND2 1886 N N . ASN B 63 ? 0.1626 0.3736 0.3427 0.0738 -0.0128 0.0331 1294 ASN B N 1887 C CA . ASN B 63 ? 0.1886 0.4114 0.3794 0.0780 -0.0098 0.0394 1294 ASN B CA 1888 C C . ASN B 63 ? 0.2401 0.4659 0.4442 0.0699 -0.0027 0.0413 1294 ASN B C 1889 O O . ASN B 63 ? 0.2592 0.4884 0.4668 0.0761 0.0063 0.0464 1294 ASN B O 1890 C CB . ASN B 63 ? 0.2197 0.4612 0.4201 0.0809 -0.0256 0.0385 1294 ASN B CB 1891 C CG . ASN B 63 ? 0.3050 0.5444 0.4868 0.0942 -0.0338 0.0365 1294 ASN B CG 1892 O OD1 . ASN B 63 ? 0.2947 0.5207 0.4571 0.1036 -0.0233 0.0402 1294 ASN B OD1 1893 N ND2 . ASN B 63 ? 0.2990 0.5512 0.4867 0.0951 -0.0526 0.0308 1294 ASN B ND2 1894 N N . ILE B 64 ? 0.1802 0.4035 0.3889 0.0586 -0.0066 0.0375 1295 ILE B N 1895 C CA . ILE B 64 ? 0.1695 0.3980 0.3882 0.0530 -0.0005 0.0408 1295 ILE B CA 1896 C C . ILE B 64 ? 0.2341 0.4465 0.4425 0.0481 0.0046 0.0366 1295 ILE B C 1897 O O . ILE B 64 ? 0.1995 0.4065 0.4031 0.0515 0.0145 0.0369 1295 ILE B O 1898 C CB . ILE B 64 ? 0.1379 0.3819 0.3752 0.0440 -0.0095 0.0436 1295 ILE B CB 1899 C CG1 . ILE B 64 ? 0.1956 0.4616 0.4486 0.0491 -0.0165 0.0465 1295 ILE B CG1 1900 C CG2 . ILE B 64 ? 0.1833 0.4318 0.4282 0.0386 0.0001 0.0497 1295 ILE B CG2 1901 C CD1 . ILE B 64 ? 0.1885 0.4717 0.4666 0.0374 -0.0285 0.0476 1295 ILE B CD1 1902 N N . PHE B 65 ? 0.2224 0.4264 0.4258 0.0419 -0.0035 0.0315 1296 PHE B N 1903 C CA . PHE B 65 ? 0.2191 0.4122 0.4147 0.0383 -0.0015 0.0282 1296 PHE B CA 1904 C C . PHE B 65 ? 0.1615 0.3445 0.3481 0.0420 0.0047 0.0219 1296 PHE B C 1905 O O . PHE B 65 ? 0.1872 0.3647 0.3681 0.0426 0.0088 0.0198 1296 PHE B O 1906 C CB . PHE B 65 ? 0.1656 0.3507 0.3572 0.0329 -0.0125 0.0245 1296 PHE B CB 1907 C CG . PHE B 65 ? 0.2078 0.3840 0.3923 0.0299 -0.0116 0.0255 1296 PHE B CG 1908 C CD1 . PHE B 65 ? 0.2183 0.3995 0.4085 0.0264 -0.0061 0.0348 1296 PHE B CD1 1909 C CD2 . PHE B 65 ? 0.2221 0.3867 0.3942 0.0322 -0.0155 0.0181 1296 PHE B CD2 1910 C CE1 . PHE B 65 ? 0.2297 0.4008 0.4085 0.0260 -0.0036 0.0380 1296 PHE B CE1 1911 C CE2 . PHE B 65 ? 0.2276 0.3827 0.3887 0.0326 -0.0157 0.0194 1296 PHE B CE2 1912 C CZ . PHE B 65 ? 0.1755 0.3318 0.3374 0.0299 -0.0092 0.0300 1296 PHE B CZ 1913 N N . LEU B 66 ? 0.1682 0.3488 0.3538 0.0445 0.0055 0.0190 1297 LEU B N 1914 C CA . LEU B 66 ? 0.2092 0.3813 0.3932 0.0449 0.0118 0.0136 1297 LEU B CA 1915 C C . LEU B 66 ? 0.2125 0.3795 0.3961 0.0485 0.0208 0.0158 1297 LEU B C 1916 O O . LEU B 66 ? 0.2002 0.3583 0.3808 0.0478 0.0229 0.0093 1297 LEU B O 1917 C CB . LEU B 66 ? 0.1704 0.3419 0.3558 0.0463 0.0146 0.0131 1297 LEU B CB 1918 C CG . LEU B 66 ? 0.2226 0.3861 0.4135 0.0441 0.0234 0.0100 1297 LEU B CG 1919 C CD1 . LEU B 66 ? 0.1674 0.3296 0.3628 0.0386 0.0189 -0.0007 1297 LEU B CD1 1920 C CD2 . LEU B 66 ? 0.2585 0.4236 0.4516 0.0458 0.0297 0.0139 1297 LEU B CD2 1921 N N . LYS B 67 ? 0.1896 0.3621 0.3752 0.0539 0.0246 0.0236 1298 LYS B N 1922 C CA . LYS B 67 ? 0.2058 0.3727 0.3891 0.0605 0.0332 0.0257 1298 LYS B CA 1923 C C . LYS B 67 ? 0.2425 0.4112 0.4217 0.0616 0.0344 0.0240 1298 LYS B C 1924 O O . LYS B 67 ? 0.2530 0.4099 0.4243 0.0667 0.0398 0.0196 1298 LYS B O 1925 C CB . LYS B 67 ? 0.2295 0.4061 0.4165 0.0690 0.0359 0.0348 1298 LYS B CB 1926 C CG . LYS B 67 ? 0.3067 0.4777 0.4906 0.0727 0.0370 0.0382 1298 LYS B CG 1927 C CD . LYS B 67 ? 0.4293 0.6088 0.6134 0.0850 0.0386 0.0467 1298 LYS B CD 1928 C CE . LYS B 67 ? 0.4634 0.6433 0.6409 0.0906 0.0357 0.0510 1298 LYS B CE 1929 N NZ . LYS B 67 ? 0.5243 0.6830 0.6928 0.0894 0.0448 0.0518 1298 LYS B NZ 1930 N N . GLU B 68 ? 0.1706 0.3517 0.3533 0.0576 0.0298 0.0277 1299 GLU B N 1931 C CA . GLU B 68 ? 0.1973 0.3804 0.3736 0.0602 0.0339 0.0293 1299 GLU B CA 1932 C C . GLU B 68 ? 0.2572 0.4258 0.4191 0.0589 0.0302 0.0197 1299 GLU B C 1933 O O . GLU B 68 ? 0.2152 0.3771 0.3639 0.0660 0.0347 0.0165 1299 GLU B O 1934 C CB . GLU B 68 ? 0.1561 0.3562 0.3434 0.0551 0.0324 0.0391 1299 GLU B CB 1935 C CG . GLU B 68 ? 0.1851 0.4054 0.3899 0.0583 0.0357 0.0477 1299 GLU B CG 1936 C CD . GLU B 68 ? 0.2425 0.4661 0.4434 0.0711 0.0477 0.0501 1299 GLU B CD 1937 O OE1 . GLU B 68 ? 0.2122 0.4367 0.4050 0.0753 0.0557 0.0524 1299 GLU B OE1 1938 O OE2 . GLU B 68 ? 0.2254 0.4487 0.4281 0.0790 0.0495 0.0498 1299 GLU B OE2 1939 N N . LEU B 69 ? 0.2157 0.3803 0.3788 0.0522 0.0213 0.0141 1300 LEU B N 1940 C CA . LEU B 69 ? 0.2026 0.3568 0.3553 0.0524 0.0156 0.0031 1300 LEU B CA 1941 C C . LEU B 69 ? 0.2197 0.3626 0.3700 0.0554 0.0179 -0.0071 1300 LEU B C 1942 O O . LEU B 69 ? 0.2261 0.3605 0.3637 0.0598 0.0147 -0.0162 1300 LEU B O 1943 C CB . LEU B 69 ? 0.1852 0.3408 0.3435 0.0466 0.0064 -0.0014 1300 LEU B CB 1944 C CG . LEU B 69 ? 0.2008 0.3585 0.3555 0.0445 0.0001 0.0039 1300 LEU B CG 1945 C CD1 . LEU B 69 ? 0.2265 0.3848 0.3855 0.0422 -0.0083 -0.0019 1300 LEU B CD1 1946 C CD2 . LEU B 69 ? 0.2009 0.3517 0.3385 0.0490 -0.0010 0.0046 1300 LEU B CD2 1947 N N . GLU B 70 ? 0.2158 0.3561 0.3767 0.0536 0.0228 -0.0057 1301 GLU B N 1948 C CA A GLU B 70 ? 0.2516 0.3762 0.4125 0.0547 0.0258 -0.0139 1301 GLU B CA 1949 C CA B GLU B 70 ? 0.2566 0.3812 0.4173 0.0546 0.0256 -0.0142 1301 GLU B CA 1950 C C . GLU B 70 ? 0.2850 0.3998 0.4299 0.0653 0.0300 -0.0166 1301 GLU B C 1951 O O . GLU B 70 ? 0.2605 0.3589 0.3984 0.0673 0.0271 -0.0291 1301 GLU B O 1952 C CB A GLU B 70 ? 0.2126 0.3333 0.3842 0.0529 0.0331 -0.0073 1301 GLU B CB 1953 C CB B GLU B 70 ? 0.2285 0.3490 0.4005 0.0523 0.0326 -0.0080 1301 GLU B CB 1954 C CG A GLU B 70 ? 0.2478 0.3755 0.4324 0.0448 0.0316 -0.0056 1301 GLU B CG 1955 C CG B GLU B 70 ? 0.2620 0.3892 0.4473 0.0437 0.0304 -0.0078 1301 GLU B CG 1956 C CD A GLU B 70 ? 0.3611 0.4799 0.5575 0.0366 0.0309 -0.0153 1301 GLU B CD 1957 C CD B GLU B 70 ? 0.2467 0.3704 0.4374 0.0444 0.0393 0.0019 1301 GLU B CD 1958 O OE1 A GLU B 70 ? 0.4457 0.5687 0.6543 0.0313 0.0351 -0.0113 1301 GLU B OE1 1959 O OE1 B GLU B 70 ? 0.2904 0.4093 0.4746 0.0524 0.0450 0.0094 1301 GLU B OE1 1960 O OE2 A GLU B 70 ? 0.4319 0.5406 0.6259 0.0358 0.0263 -0.0270 1301 GLU B OE2 1961 O OE2 B GLU B 70 ? 0.3492 0.4759 0.5497 0.0388 0.0411 0.0027 1301 GLU B OE2 1962 N N . LYS B 71 ? 0.2198 0.3455 0.3600 0.0726 0.0365 -0.0055 1302 LYS B N 1963 C CA . LYS B 71 ? 0.2242 0.3447 0.3483 0.0858 0.0433 -0.0060 1302 LYS B CA 1964 C C . LYS B 71 ? 0.2449 0.3611 0.3492 0.0906 0.0385 -0.0138 1302 LYS B C 1965 O O . LYS B 71 ? 0.2955 0.4015 0.3800 0.1035 0.0420 -0.0194 1302 LYS B O 1966 C CB . LYS B 71 ? 0.2168 0.3574 0.3470 0.0919 0.0527 0.0094 1302 LYS B CB 1967 C CG . LYS B 71 ? 0.2355 0.3788 0.3788 0.0940 0.0572 0.0159 1302 LYS B CG 1968 C CD . LYS B 71 ? 0.2415 0.4120 0.3970 0.0989 0.0632 0.0299 1302 LYS B CD 1969 C CE . LYS B 71 ? 0.2641 0.4395 0.4308 0.1036 0.0649 0.0360 1302 LYS B CE 1970 N NZ . LYS B 71 ? 0.2603 0.4673 0.4437 0.1079 0.0680 0.0476 1302 LYS B NZ 1971 N N . TYR B 72 ? 0.2439 0.3663 0.3501 0.0828 0.0301 -0.0145 1303 TYR B N 1972 C CA . TYR B 72 ? 0.2801 0.3977 0.3647 0.0891 0.0241 -0.0210 1303 TYR B CA 1973 C C . TYR B 72 ? 0.2992 0.4039 0.3809 0.0870 0.0105 -0.0404 1303 TYR B C 1974 O O . TYR B 72 ? 0.3203 0.4217 0.3839 0.0932 0.0020 -0.0480 1303 TYR B O 1975 C CB . TYR B 72 ? 0.2845 0.4134 0.3699 0.0842 0.0219 -0.0104 1303 TYR B CB 1976 C CG . TYR B 72 ? 0.2701 0.4106 0.3532 0.0876 0.0342 0.0075 1303 TYR B CG 1977 C CD1 . TYR B 72 ? 0.2775 0.4154 0.3357 0.1002 0.0414 0.0119 1303 TYR B CD1 1978 C CD2 . TYR B 72 ? 0.2150 0.3703 0.3217 0.0784 0.0385 0.0199 1303 TYR B CD2 1979 C CE1 . TYR B 72 ? 0.3815 0.5334 0.4428 0.1016 0.0553 0.0304 1303 TYR B CE1 1980 C CE2 . TYR B 72 ? 0.2521 0.4219 0.3644 0.0788 0.0491 0.0360 1303 TYR B CE2 1981 C CZ . TYR B 72 ? 0.2908 0.4597 0.3826 0.0894 0.0587 0.0422 1303 TYR B CZ 1982 O OH . TYR B 72 ? 0.2753 0.4617 0.3775 0.0883 0.0719 0.0602 1303 TYR B OH 1983 N N . GLU B 73 ? 0.3100 0.4085 0.4107 0.0784 0.0083 -0.0478 1304 GLU B N 1984 C CA . GLU B 73 ? 0.3696 0.4615 0.4784 0.0721 -0.0049 -0.0655 1304 GLU B CA 1985 C C . GLU B 73 ? 0.4305 0.5082 0.5155 0.0832 -0.0148 -0.0827 1304 GLU B C 1986 O O . GLU B 73 ? 0.3914 0.4718 0.4759 0.0824 -0.0293 -0.0959 1304 GLU B O 1987 C CB . GLU B 73 ? 0.3338 0.4178 0.4670 0.0609 -0.0020 -0.0687 1304 GLU B CB 1988 C CG . GLU B 73 ? 0.3901 0.4729 0.5409 0.0509 -0.0149 -0.0858 1304 GLU B CG 1989 C CD . GLU B 73 ? 0.5925 0.6694 0.7719 0.0370 -0.0091 -0.0850 1304 GLU B CD 1990 O OE1 . GLU B 73 ? 0.6895 0.7539 0.8674 0.0384 0.0032 -0.0749 1304 GLU B OE1 1991 O OE2 . GLU B 73 ? 0.5810 0.6667 0.7849 0.0254 -0.0162 -0.0936 1304 GLU B OE2 1992 N N . GLN B 74 ? 0.3562 0.4194 0.4207 0.0956 -0.0079 -0.0838 1305 GLN B N 1993 C CA . GLN B 74 ? 0.3552 0.4025 0.3910 0.1096 -0.0178 -0.1014 1305 GLN B CA 1994 C C . GLN B 74 ? 0.3942 0.4473 0.3957 0.1271 -0.0136 -0.0934 1305 GLN B C 1995 O O . GLN B 74 ? 0.4301 0.4697 0.3988 0.1442 -0.0185 -0.1052 1305 GLN B O 1996 C CB . GLN B 74 ? 0.4517 0.4747 0.4796 0.1163 -0.0139 -0.1104 1305 GLN B CB 1997 C CG . GLN B 74 ? 0.5720 0.5828 0.6317 0.0989 -0.0170 -0.1177 1305 GLN B CG 1998 C CD . GLN B 74 ? 0.8251 0.8390 0.9047 0.0855 -0.0353 -0.1348 1305 GLN B CD 1999 O OE1 . GLN B 74 ? 0.9028 0.9170 0.9648 0.0936 -0.0504 -0.1500 1305 GLN B OE1 2000 N NE2 . GLN B 74 ? 0.9047 0.9230 1.0211 0.0660 -0.0336 -0.1320 1305 GLN B NE2 2001 N N . LEU B 75 ? 0.3765 0.4478 0.3843 0.1231 -0.0048 -0.0737 1306 LEU B N 2002 C CA . LEU B 75 ? 0.3837 0.4607 0.3637 0.1365 0.0030 -0.0608 1306 LEU B CA 2003 C C . LEU B 75 ? 0.4015 0.4890 0.3866 0.1294 -0.0028 -0.0528 1306 LEU B C 2004 O O . LEU B 75 ? 0.3781 0.4753 0.3649 0.1273 0.0084 -0.0332 1306 LEU B O 2005 C CB . LEU B 75 ? 0.4358 0.5232 0.4200 0.1394 0.0238 -0.0405 1306 LEU B CB 2006 C CG . LEU B 75 ? 0.5079 0.5859 0.4872 0.1492 0.0319 -0.0456 1306 LEU B CG 2007 C CD1 . LEU B 75 ? 0.5403 0.6362 0.5412 0.1456 0.0488 -0.0259 1306 LEU B CD1 2008 C CD2 . LEU B 75 ? 0.5441 0.6103 0.4815 0.1730 0.0349 -0.0524 1306 LEU B CD2 2009 N N . PRO B 76 ? 0.3847 0.4704 0.3742 0.1257 -0.0210 -0.0684 1307 PRO B N 2010 C CA . PRO B 76 ? 0.4407 0.5354 0.4365 0.1202 -0.0275 -0.0619 1307 PRO B CA 2011 C C . PRO B 76 ? 0.3911 0.4821 0.3547 0.1331 -0.0221 -0.0475 1307 PRO B C 2012 O O . PRO B 76 ? 0.4766 0.5724 0.4490 0.1260 -0.0191 -0.0333 1307 PRO B O 2013 C CB . PRO B 76 ? 0.4442 0.5393 0.4468 0.1193 -0.0485 -0.0842 1307 PRO B CB 2014 C CG . PRO B 76 ? 0.4337 0.5157 0.4195 0.1291 -0.0549 -0.1024 1307 PRO B CG 2015 C CD . PRO B 76 ? 0.4032 0.4782 0.3893 0.1289 -0.0373 -0.0935 1307 PRO B CD 2016 N N . GLU B 77 ? 0.3873 0.4681 0.3135 0.1521 -0.0200 -0.0502 1308 GLU B N 2017 C CA . GLU B 77 ? 0.4847 0.5604 0.3775 0.1655 -0.0109 -0.0331 1308 GLU B CA 2018 C C . GLU B 77 ? 0.5091 0.5929 0.4135 0.1581 0.0120 -0.0068 1308 GLU B C 2019 O O . GLU B 77 ? 0.5362 0.6165 0.4226 0.1633 0.0217 0.0118 1308 GLU B O 2020 C CB . GLU B 77 ? 0.6716 0.7348 0.5175 0.1906 -0.0114 -0.0413 1308 GLU B CB 2021 C CG . GLU B 77 ? 0.8099 0.8658 0.6517 0.1964 -0.0287 -0.0703 1308 GLU B CG 2022 C CD . GLU B 77 ? 0.8380 0.8932 0.6957 0.1918 -0.0183 -0.0736 1308 GLU B CD 2023 O OE1 . GLU B 77 ? 0.9722 1.0277 0.8134 0.2022 0.0015 -0.0594 1308 GLU B OE1 2024 O OE2 . GLU B 77 ? 0.6422 0.6969 0.5296 0.1782 -0.0288 -0.0894 1308 GLU B OE2 2025 N N . ASP B 78 ? 0.4644 0.5587 0.3992 0.1465 0.0205 -0.0047 1309 ASP B N 2026 C CA . ASP B 78 ? 0.3754 0.4827 0.3275 0.1391 0.0398 0.0179 1309 ASP B CA 2027 C C . ASP B 78 ? 0.3786 0.4959 0.3696 0.1175 0.0369 0.0250 1309 ASP B C 2028 O O . ASP B 78 ? 0.3623 0.4918 0.3721 0.1093 0.0495 0.0423 1309 ASP B O 2029 C CB . ASP B 78 ? 0.3627 0.4774 0.3192 0.1454 0.0526 0.0174 1309 ASP B CB 2030 C CG . ASP B 78 ? 0.5615 0.6668 0.4760 0.1699 0.0594 0.0132 1309 ASP B CG 2031 O OD1 . ASP B 78 ? 0.5519 0.6534 0.4374 0.1811 0.0663 0.0246 1309 ASP B OD1 2032 O OD2 . ASP B 78 ? 0.5423 0.6416 0.4501 0.1792 0.0582 -0.0012 1309 ASP B OD2 2033 N N . VAL B 79 ? 0.3855 0.4992 0.3890 0.1093 0.0205 0.0116 1310 VAL B N 2034 C CA . VAL B 79 ? 0.2963 0.4191 0.3338 0.0921 0.0176 0.0149 1310 VAL B CA 2035 C C . VAL B 79 ? 0.2825 0.4049 0.3254 0.0840 0.0200 0.0314 1310 VAL B C 2036 O O . VAL B 79 ? 0.2890 0.4190 0.3578 0.0710 0.0191 0.0362 1310 VAL B O 2037 C CB . VAL B 79 ? 0.2811 0.4023 0.3304 0.0869 0.0016 -0.0028 1310 VAL B CB 2038 C CG1 . VAL B 79 ? 0.3030 0.4167 0.3383 0.0909 -0.0107 -0.0065 1310 VAL B CG1 2039 C CG2 . VAL B 79 ? 0.3236 0.4545 0.4039 0.0730 0.0018 -0.0004 1310 VAL B CG2 2040 N N . GLY B 80 ? 0.3319 0.4432 0.3490 0.0922 0.0228 0.0403 1311 GLY B N 2041 C CA . GLY B 80 ? 0.3157 0.4218 0.3380 0.0836 0.0270 0.0579 1311 GLY B CA 2042 C C . GLY B 80 ? 0.3664 0.4888 0.4162 0.0721 0.0413 0.0733 1311 GLY B C 2043 O O . GLY B 80 ? 0.3445 0.4675 0.4158 0.0578 0.0399 0.0823 1311 GLY B O 2044 N N . HIS B 81 ? 0.3209 0.4571 0.3709 0.0791 0.0537 0.0749 1312 HIS B N 2045 C CA . HIS B 81 ? 0.3284 0.4866 0.4071 0.0710 0.0675 0.0887 1312 HIS B CA 2046 C C . HIS B 81 ? 0.2891 0.4599 0.4032 0.0569 0.0585 0.0831 1312 HIS B C 2047 O O . HIS B 81 ? 0.3312 0.5188 0.4740 0.0460 0.0638 0.0947 1312 HIS B O 2048 C CB . HIS B 81 ? 0.3535 0.5234 0.4216 0.0862 0.0816 0.0886 1312 HIS B CB 2049 C CG . HIS B 81 ? 0.3499 0.5449 0.4412 0.0831 0.1003 0.1074 1312 HIS B CG 2050 N ND1 . HIS B 81 ? 0.3897 0.5894 0.4659 0.0922 0.1196 0.1244 1312 HIS B ND1 2051 C CD2 . HIS B 81 ? 0.2726 0.4922 0.4024 0.0730 0.1029 0.1120 1312 HIS B CD2 2052 C CE1 . HIS B 81 ? 0.4566 0.6854 0.5654 0.0863 0.1343 0.1391 1312 HIS B CE1 2053 N NE2 . HIS B 81 ? 0.3657 0.6075 0.5078 0.0748 0.1231 0.1310 1312 HIS B NE2 2054 N N . CYS B 82 ? 0.2664 0.4309 0.3792 0.0579 0.0453 0.0658 1313 CYS B N 2055 C CA . CYS B 82 ? 0.2826 0.4565 0.4216 0.0482 0.0374 0.0606 1313 CYS B CA 2056 C C . CYS B 82 ? 0.2681 0.4392 0.4220 0.0346 0.0295 0.0670 1313 CYS B C 2057 O O . CYS B 82 ? 0.2767 0.4613 0.4561 0.0255 0.0273 0.0707 1313 CYS B O 2058 C CB . CYS B 82 ? 0.2773 0.4424 0.4099 0.0517 0.0269 0.0432 1313 CYS B CB 2059 S SG . CYS B 82 ? 0.2625 0.4397 0.4186 0.0477 0.0248 0.0387 1313 CYS B SG 2060 N N . PHE B 83 ? 0.2564 0.4080 0.3925 0.0348 0.0240 0.0675 1314 PHE B N 2061 C CA . PHE B 83 ? 0.2658 0.4067 0.4111 0.0234 0.0150 0.0718 1314 PHE B CA 2062 C C . PHE B 83 ? 0.3286 0.4748 0.4905 0.0126 0.0248 0.0903 1314 PHE B C 2063 O O . PHE B 83 ? 0.2914 0.4370 0.4750 -0.0009 0.0174 0.0932 1314 PHE B O 2064 C CB . PHE B 83 ? 0.2629 0.3792 0.3817 0.0298 0.0058 0.0661 1314 PHE B CB 2065 C CG . PHE B 83 ? 0.3342 0.4505 0.4454 0.0377 -0.0045 0.0480 1314 PHE B CG 2066 C CD1 . PHE B 83 ? 0.2958 0.4117 0.4181 0.0335 -0.0160 0.0389 1314 PHE B CD1 2067 C CD2 . PHE B 83 ? 0.3831 0.5006 0.4774 0.0494 -0.0024 0.0399 1314 PHE B CD2 2068 C CE1 . PHE B 83 ? 0.2696 0.3890 0.3890 0.0400 -0.0226 0.0244 1314 PHE B CE1 2069 C CE2 . PHE B 83 ? 0.3448 0.4649 0.4392 0.0537 -0.0116 0.0236 1314 PHE B CE2 2070 C CZ . PHE B 83 ? 0.3262 0.4488 0.4350 0.0484 -0.0202 0.0172 1314 PHE B CZ 2071 N N . VAL B 84 ? 0.3030 0.4554 0.4562 0.0187 0.0416 0.1025 1315 VAL B N 2072 C CA . VAL B 84 ? 0.3267 0.4903 0.5010 0.0081 0.0549 0.1224 1315 VAL B CA 2073 C C . VAL B 84 ? 0.2954 0.4909 0.5092 -0.0005 0.0559 0.1228 1315 VAL B C 2074 O O . VAL B 84 ? 0.2860 0.4899 0.5315 -0.0170 0.0529 0.1304 1315 VAL B O 2075 C CB . VAL B 84 ? 0.3038 0.4696 0.4561 0.0204 0.0761 0.1366 1315 VAL B CB 2076 C CG1 . VAL B 84 ? 0.3846 0.5723 0.5677 0.0091 0.0939 0.1586 1315 VAL B CG1 2077 C CG2 . VAL B 84 ? 0.3269 0.4605 0.4390 0.0297 0.0745 0.1390 1315 VAL B CG2 2078 N N . THR B 85 ? 0.2528 0.4645 0.4648 0.0110 0.0583 0.1136 1316 THR B N 2079 C CA . THR B 85 ? 0.2688 0.5112 0.5140 0.0077 0.0590 0.1137 1316 THR B CA 2080 C C . THR B 85 ? 0.2639 0.5077 0.5328 -0.0055 0.0402 0.1063 1316 THR B C 2081 O O . THR B 85 ? 0.2694 0.5363 0.5735 -0.0163 0.0386 0.1124 1316 THR B O 2082 C CB . THR B 85 ? 0.2790 0.5283 0.5117 0.0242 0.0617 0.1028 1316 THR B CB 2083 O OG1 . THR B 85 ? 0.2602 0.5125 0.4743 0.0380 0.0792 0.1092 1316 THR B OG1 2084 C CG2 . THR B 85 ? 0.2633 0.5406 0.5270 0.0231 0.0593 0.1020 1316 THR B CG2 2085 N N . TRP B 86 ? 0.2897 0.5106 0.5394 -0.0036 0.0255 0.0923 1317 TRP B N 2086 C CA . TRP B 86 ? 0.2835 0.5043 0.5475 -0.0108 0.0075 0.0827 1317 TRP B CA 2087 C C . TRP B 86 ? 0.2741 0.4708 0.5366 -0.0225 -0.0047 0.0821 1317 TRP B C 2088 O O . TRP B 86 ? 0.2816 0.4678 0.5420 -0.0240 -0.0211 0.0706 1317 TRP B O 2089 C CB . TRP B 86 ? 0.2348 0.4495 0.4803 0.0012 0.0012 0.0681 1317 TRP B CB 2090 C CG . TRP B 86 ? 0.2365 0.4700 0.4847 0.0120 0.0120 0.0687 1317 TRP B CG 2091 C CD1 . TRP B 86 ? 0.2374 0.4652 0.4657 0.0235 0.0229 0.0668 1317 TRP B CD1 2092 C CD2 . TRP B 86 ? 0.1893 0.4484 0.4606 0.0136 0.0118 0.0709 1317 TRP B CD2 2093 N NE1 . TRP B 86 ? 0.2193 0.4639 0.4556 0.0322 0.0302 0.0679 1317 TRP B NE1 2094 C CE2 . TRP B 86 ? 0.2444 0.5096 0.5068 0.0272 0.0241 0.0712 1317 TRP B CE2 2095 C CE3 . TRP B 86 ? 0.2392 0.5158 0.5369 0.0062 0.0006 0.0713 1317 TRP B CE3 2096 C CZ2 . TRP B 86 ? 0.2320 0.5197 0.5100 0.0349 0.0269 0.0735 1317 TRP B CZ2 2097 C CZ3 . TRP B 86 ? 0.2727 0.5759 0.5878 0.0137 0.0023 0.0731 1317 TRP B CZ3 2098 C CH2 . TRP B 86 ? 0.2328 0.5404 0.5367 0.0285 0.0160 0.0747 1317 TRP B CH2 2099 N N . ALA B 87 ? 0.2971 0.4837 0.5592 -0.0296 0.0040 0.0955 1318 ALA B N 2100 C CA . ALA B 87 ? 0.2957 0.4523 0.5523 -0.0396 -0.0058 0.0970 1318 ALA B CA 2101 C C . ALA B 87 ? 0.3458 0.5020 0.6285 -0.0537 -0.0241 0.0904 1318 ALA B C 2102 O O . ALA B 87 ? 0.2871 0.4158 0.5561 -0.0544 -0.0398 0.0804 1318 ALA B O 2103 C CB . ALA B 87 ? 0.2957 0.4445 0.5529 -0.0463 0.0100 0.1170 1318 ALA B CB 2104 N N . ASP B 88 ? 0.3211 0.5081 0.6409 -0.0633 -0.0233 0.0948 1319 ASP B N 2105 C CA . ASP B 88 ? 0.3630 0.5533 0.7105 -0.0767 -0.0433 0.0868 1319 ASP B CA 2106 C C . ASP B 88 ? 0.2811 0.4616 0.6090 -0.0654 -0.0625 0.0663 1319 ASP B C 2107 O O . ASP B 88 ? 0.3095 0.4704 0.6381 -0.0717 -0.0820 0.0560 1319 ASP B O 2108 C CB . ASP B 88 ? 0.3441 0.5778 0.7360 -0.0848 -0.0399 0.0931 1319 ASP B CB 2109 C CG . ASP B 88 ? 0.6278 0.8728 1.0512 -0.1019 -0.0244 0.1137 1319 ASP B CG 2110 O OD1 . ASP B 88 ? 0.6504 0.8635 1.0619 -0.1103 -0.0198 0.1226 1319 ASP B OD1 2111 O OD2 . ASP B 88 ? 0.7293 1.0156 1.1895 -0.1060 -0.0159 0.1218 1319 ASP B OD2 2112 N N . LYS B 89 ? 0.2127 0.4057 0.5228 -0.0484 -0.0564 0.0609 1320 LYS B N 2113 C CA . LYS B 89 ? 0.2512 0.4384 0.5425 -0.0363 -0.0700 0.0447 1320 LYS B CA 2114 C C . LYS B 89 ? 0.2994 0.4507 0.5617 -0.0324 -0.0797 0.0355 1320 LYS B C 2115 O O . LYS B 89 ? 0.2573 0.3984 0.5099 -0.0275 -0.0959 0.0223 1320 LYS B O 2116 C CB . LYS B 89 ? 0.2387 0.4413 0.5163 -0.0204 -0.0577 0.0439 1320 LYS B CB 2117 C CG . LYS B 89 ? 0.2318 0.4682 0.5331 -0.0185 -0.0515 0.0495 1320 LYS B CG 2118 C CD . LYS B 89 ? 0.2353 0.4836 0.5439 -0.0140 -0.0683 0.0396 1320 LYS B CD 2119 C CE . LYS B 89 ? 0.2744 0.5574 0.6057 -0.0089 -0.0633 0.0451 1320 LYS B CE 2120 N NZ . LYS B 89 ? 0.2426 0.5372 0.5784 -0.0024 -0.0818 0.0354 1320 LYS B NZ 2121 N N . PHE B 90 ? 0.3037 0.4362 0.5504 -0.0322 -0.0700 0.0425 1321 PHE B N 2122 C CA . PHE B 90 ? 0.2894 0.3908 0.5075 -0.0247 -0.0778 0.0342 1321 PHE B CA 2123 C C . PHE B 90 ? 0.3625 0.4367 0.5839 -0.0345 -0.0951 0.0298 1321 PHE B C 2124 O O . PHE B 90 ? 0.3725 0.4199 0.5703 -0.0263 -0.1050 0.0203 1321 PHE B O 2125 C CB . PHE B 90 ? 0.3012 0.3908 0.5003 -0.0195 -0.0646 0.0424 1321 PHE B CB 2126 C CG . PHE B 90 ? 0.2962 0.4017 0.4828 -0.0061 -0.0542 0.0389 1321 PHE B CG 2127 C CD1 . PHE B 90 ? 0.3039 0.4052 0.4734 0.0062 -0.0600 0.0262 1321 PHE B CD1 2128 C CD2 . PHE B 90 ? 0.3569 0.4819 0.5505 -0.0056 -0.0387 0.0480 1321 PHE B CD2 2129 C CE1 . PHE B 90 ? 0.2645 0.3795 0.4275 0.0155 -0.0510 0.0228 1321 PHE B CE1 2130 C CE2 . PHE B 90 ? 0.2178 0.3527 0.4000 0.0058 -0.0312 0.0428 1321 PHE B CE2 2131 C CZ . PHE B 90 ? 0.2936 0.4232 0.4626 0.0147 -0.0377 0.0304 1321 PHE B CZ 2132 N N . GLN B 91 ? 0.2812 0.3627 0.5335 -0.0518 -0.0992 0.0358 1322 GLN B N 2133 C CA . GLN B 91 ? 0.3759 0.4311 0.6359 -0.0634 -0.1186 0.0292 1322 GLN B CA 2134 C C . GLN B 91 ? 0.3462 0.3943 0.5905 -0.0517 -0.1393 0.0081 1322 GLN B C 2135 O O . GLN B 91 ? 0.3941 0.4102 0.6300 -0.0541 -0.1571 -0.0020 1322 GLN B O 2136 C CB . GLN B 91 ? 0.4872 0.5597 0.7917 -0.0859 -0.1202 0.0382 1322 GLN B CB 2137 C CG . GLN B 91 ? 0.5089 0.5801 0.8282 -0.0994 -0.1003 0.0608 1322 GLN B CG 2138 C CD . GLN B 91 ? 0.6004 0.6232 0.8964 -0.1020 -0.1009 0.0661 1322 GLN B CD 2139 O OE1 . GLN B 91 ? 0.5439 0.5353 0.8450 -0.1131 -0.1181 0.0599 1322 GLN B OE1 2140 N NE2 . GLN B 91 ? 0.4986 0.5131 0.7672 -0.0904 -0.0832 0.0769 1322 GLN B NE2 2141 N N . MET B 92 ? 0.3252 0.4001 0.5631 -0.0376 -0.1366 0.0018 1323 MET B N 2142 C CA . MET B 92 ? 0.3573 0.4265 0.5757 -0.0234 -0.1532 -0.0162 1323 MET B CA 2143 C C . MET B 92 ? 0.3600 0.3972 0.5434 -0.0096 -0.1569 -0.0247 1323 MET B C 2144 O O . MET B 92 ? 0.3771 0.3976 0.5426 0.0003 -0.1737 -0.0401 1323 MET B O 2145 C CB . MET B 92 ? 0.3925 0.4929 0.6057 -0.0089 -0.1453 -0.0178 1323 MET B CB 2146 C CG . MET B 92 ? 0.5842 0.7197 0.8278 -0.0167 -0.1369 -0.0075 1323 MET B CG 2147 S SD . MET B 92 ? 0.4872 0.6499 0.7204 0.0025 -0.1348 -0.0122 1323 MET B SD 2148 C CE . MET B 92 ? 0.3527 0.5371 0.5950 0.0029 -0.1074 0.0040 1323 MET B CE 2149 N N . TYR B 93 ? 0.3295 0.3597 0.5020 -0.0066 -0.1418 -0.0157 1324 TYR B N 2150 C CA . TYR B 93 ? 0.3450 0.3509 0.4869 0.0088 -0.1446 -0.0235 1324 TYR B CA 2151 C C . TYR B 93 ? 0.4237 0.3877 0.5570 0.0042 -0.1616 -0.0293 1324 TYR B C 2152 O O . TYR B 93 ? 0.4586 0.4005 0.5658 0.0197 -0.1711 -0.0415 1324 TYR B O 2153 C CB . TYR B 93 ? 0.3470 0.3579 0.4809 0.0138 -0.1270 -0.0136 1324 TYR B CB 2154 C CG . TYR B 93 ? 0.3577 0.4007 0.4910 0.0240 -0.1137 -0.0140 1324 TYR B CG 2155 C CD1 . TYR B 93 ? 0.3107 0.3806 0.4632 0.0165 -0.1016 -0.0049 1324 TYR B CD1 2156 C CD2 . TYR B 93 ? 0.3364 0.3824 0.4516 0.0413 -0.1129 -0.0234 1324 TYR B CD2 2157 C CE1 . TYR B 93 ? 0.2956 0.3889 0.4470 0.0251 -0.0899 -0.0053 1324 TYR B CE1 2158 C CE2 . TYR B 93 ? 0.3129 0.3860 0.4313 0.0479 -0.1002 -0.0228 1324 TYR B CE2 2159 C CZ . TYR B 93 ? 0.3230 0.4168 0.4585 0.0393 -0.0893 -0.0140 1324 TYR B CZ 2160 O OH . TYR B 93 ? 0.2696 0.3844 0.4077 0.0451 -0.0770 -0.0134 1324 TYR B OH 2161 N N . VAL B 94 ? 0.4427 0.3954 0.5991 -0.0169 -0.1647 -0.0203 1325 VAL B N 2162 C CA . VAL B 94 ? 0.4221 0.3304 0.5745 -0.0252 -0.1815 -0.0250 1325 VAL B CA 2163 C C . VAL B 94 ? 0.4796 0.3776 0.6248 -0.0190 -0.2053 -0.0464 1325 VAL B C 2164 O O . VAL B 94 ? 0.5478 0.4080 0.6672 -0.0083 -0.2201 -0.0592 1325 VAL B O 2165 C CB . VAL B 94 ? 0.4591 0.3619 0.6456 -0.0528 -0.1781 -0.0090 1325 VAL B CB 2166 C CG1 . VAL B 94 ? 0.5602 0.4140 0.7471 -0.0645 -0.1979 -0.0153 1325 VAL B CG1 2167 C CG2 . VAL B 94 ? 0.4295 0.3362 0.6147 -0.0553 -0.1543 0.0125 1325 VAL B CG2 2168 N N . THR B 95 ? 0.4791 0.4102 0.6444 -0.0232 -0.2097 -0.0506 1326 THR B N 2169 C CA . THR B 95 ? 0.4789 0.4058 0.6345 -0.0142 -0.2327 -0.0714 1326 THR B CA 2170 C C . THR B 95 ? 0.5396 0.4621 0.6533 0.0156 -0.2322 -0.0838 1326 THR B C 2171 O O . THR B 95 ? 0.5860 0.4816 0.6751 0.0284 -0.2515 -0.1019 1326 THR B O 2172 C CB . THR B 95 ? 0.4565 0.4258 0.6391 -0.0202 -0.2350 -0.0714 1326 THR B CB 2173 O OG1 . THR B 95 ? 0.4937 0.4748 0.7202 -0.0473 -0.2320 -0.0581 1326 THR B OG1 2174 C CG2 . THR B 95 ? 0.4634 0.4266 0.6343 -0.0104 -0.2620 -0.0938 1326 THR B CG2 2175 N N . TYR B 96 ? 0.4189 0.3682 0.5256 0.0267 -0.2101 -0.0742 1327 TYR B N 2176 C CA . TYR B 96 ? 0.5197 0.4726 0.5938 0.0533 -0.2055 -0.0830 1327 TYR B CA 2177 C C . TYR B 96 ? 0.5055 0.4214 0.5527 0.0658 -0.2113 -0.0903 1327 TYR B C 2178 O O . TYR B 96 ? 0.5386 0.4412 0.5574 0.0866 -0.2214 -0.1056 1327 TYR B O 2179 C CB . TYR B 96 ? 0.3624 0.3511 0.4412 0.0587 -0.1805 -0.0706 1327 TYR B CB 2180 C CG . TYR B 96 ? 0.4329 0.4312 0.4852 0.0839 -0.1745 -0.0785 1327 TYR B CG 2181 C CD1 . TYR B 96 ? 0.4422 0.4576 0.4847 0.0959 -0.1763 -0.0844 1327 TYR B CD1 2182 C CD2 . TYR B 96 ? 0.3875 0.3780 0.4241 0.0969 -0.1674 -0.0796 1327 TYR B CD2 2183 C CE1 . TYR B 96 ? 0.4665 0.4914 0.4850 0.1192 -0.1680 -0.0893 1327 TYR B CE1 2184 C CE2 . TYR B 96 ? 0.4459 0.4496 0.4630 0.1196 -0.1603 -0.0859 1327 TYR B CE2 2185 C CZ . TYR B 96 ? 0.4825 0.5029 0.4905 0.1301 -0.1594 -0.0900 1327 TYR B CZ 2186 O OH . TYR B 96 ? 0.4284 0.4632 0.4174 0.1528 -0.1492 -0.0936 1327 TYR B OH 2187 N N . CYS B 97 ? 0.5058 0.4050 0.5590 0.0561 -0.2043 -0.0790 1328 CYS B N 2188 C CA . CYS B 97 ? 0.4704 0.3348 0.4973 0.0702 -0.2089 -0.0842 1328 CYS B CA 2189 C C . CYS B 97 ? 0.5739 0.3920 0.5864 0.0707 -0.2336 -0.0992 1328 CYS B C 2190 O O . CYS B 97 ? 0.6239 0.4184 0.6052 0.0931 -0.2426 -0.1130 1328 CYS B O 2191 C CB . CYS B 97 ? 0.4726 0.3274 0.5064 0.0606 -0.1967 -0.0674 1328 CYS B CB 2192 S SG . CYS B 97 ? 0.4934 0.3950 0.5351 0.0662 -0.1712 -0.0551 1328 CYS B SG 2193 N N . LYS B 98 ? 0.5861 0.3920 0.6227 0.0466 -0.2451 -0.0976 1329 LYS B N 2194 C CA . LYS B 98 ? 0.6700 0.4290 0.6978 0.0430 -0.2713 -0.1131 1329 LYS B CA 2195 C C . LYS B 98 ? 0.6653 0.4216 0.6631 0.0678 -0.2874 -0.1368 1329 LYS B C 2196 O O . LYS B 98 ? 0.6915 0.4039 0.6609 0.0813 -0.3053 -0.1530 1329 LYS B O 2197 C CB . LYS B 98 ? 0.8119 0.5706 0.8797 0.0109 -0.2811 -0.1084 1329 LYS B CB 2198 C CG . LYS B 98 ? 0.9180 0.6564 1.0087 -0.0136 -0.2712 -0.0877 1329 LYS B CG 2199 C CD . LYS B 98 ? 0.9747 0.7263 1.1134 -0.0461 -0.2764 -0.0806 1329 LYS B CD 2200 C CE . LYS B 98 ? 1.0372 0.7686 1.1812 -0.0516 -0.3081 -0.1039 1329 LYS B CE 2201 N NZ . LYS B 98 ? 1.1878 0.8531 1.3030 -0.0454 -0.3273 -0.1175 1329 LYS B NZ 2202 N N . ASN B 99 ? 0.6511 0.4524 0.6519 0.0759 -0.2802 -0.1380 1330 ASN B N 2203 C CA . ASN B 99 ? 0.6455 0.4487 0.6172 0.0998 -0.2939 -0.1583 1330 ASN B CA 2204 C C . ASN B 99 ? 0.6426 0.4511 0.5772 0.1331 -0.2817 -0.1630 1330 ASN B C 2205 O O . ASN B 99 ? 0.7011 0.5014 0.6030 0.1577 -0.2927 -0.1805 1330 ASN B O 2206 C CB . ASN B 99 ? 0.6323 0.4799 0.6225 0.0945 -0.2913 -0.1556 1330 ASN B CB 2207 C CG . ASN B 99 ? 0.6841 0.5355 0.6407 0.1211 -0.3042 -0.1745 1330 ASN B CG 2208 O OD1 . ASN B 99 ? 0.7245 0.5498 0.6708 0.1229 -0.3304 -0.1929 1330 ASN B OD1 2209 N ND2 . ASN B 99 ? 0.6244 0.5082 0.5642 0.1421 -0.2838 -0.1686 1330 ASN B ND2 2210 N N . LYS B 100 ? 0.5868 0.4102 0.5271 0.1346 -0.2595 -0.1479 1331 LYS B N 2211 C CA . LYS B 100 ? 0.5631 0.4043 0.4799 0.1630 -0.2444 -0.1494 1331 LYS B CA 2212 C C . LYS B 100 ? 0.6838 0.4897 0.5602 0.1916 -0.2583 -0.1684 1331 LYS B C 2213 O O . LYS B 100 ? 0.6685 0.4918 0.5208 0.2185 -0.2529 -0.1767 1331 LYS B O 2214 C CB . LYS B 100 ? 0.5803 0.4385 0.5142 0.1566 -0.2237 -0.1321 1331 LYS B CB 2215 C CG . LYS B 100 ? 0.5753 0.4621 0.4973 0.1812 -0.2065 -0.1317 1331 LYS B CG 2216 C CD . LYS B 100 ? 0.4860 0.4162 0.4122 0.1877 -0.1922 -0.1292 1331 LYS B CD 2217 C CE . LYS B 100 ? 0.5025 0.4655 0.4266 0.2071 -0.1721 -0.1258 1331 LYS B CE 2218 N NZ . LYS B 100 ? 0.5440 0.4940 0.4351 0.2385 -0.1776 -0.1404 1331 LYS B NZ 2219 N N . PRO B 101 ? 0.6817 0.4368 0.5493 0.1875 -0.2752 -0.1747 1332 PRO B N 2220 C CA . PRO B 101 ? 0.7837 0.5006 0.6098 0.2168 -0.2905 -0.1949 1332 PRO B CA 2221 C C . PRO B 101 ? 0.8337 0.5446 0.6348 0.2318 -0.3081 -0.2155 1332 PRO B C 2222 O O . PRO B 101 ? 0.8114 0.5306 0.5821 0.2636 -0.3037 -0.2229 1332 PRO B O 2223 C CB . PRO B 101 ? 0.8312 0.4888 0.6572 0.2023 -0.3078 -0.1964 1332 PRO B CB 2224 C CG . PRO B 101 ? 0.7337 0.4082 0.5955 0.1752 -0.2910 -0.1720 1332 PRO B CG 2225 C CD . PRO B 101 ? 0.7095 0.4392 0.6008 0.1598 -0.2772 -0.1618 1332 PRO B CD 2226 N N . ASP B 102 ? 0.8116 0.5177 0.6309 0.2091 -0.3237 -0.2185 1333 ASP B N 2227 C CA . ASP B 102 ? 0.8465 0.5571 0.6503 0.2228 -0.3346 -0.2294 1333 ASP B CA 2228 C C . ASP B 102 ? 0.8404 0.5984 0.6286 0.2463 -0.3153 -0.2273 1333 ASP B C 2229 O O . ASP B 102 ? 0.8600 0.6193 0.6182 0.2746 -0.3160 -0.2357 1333 ASP B O 2230 C CB . ASP B 102 ? 0.8947 0.6030 0.7297 0.1932 -0.3508 -0.2300 1333 ASP B CB 2231 C CG . ASP B 102 ? 1.0062 0.6654 0.8538 0.1725 -0.3712 -0.2335 1333 ASP B CG 2232 O OD1 . ASP B 102 ? 0.9658 0.5876 0.7864 0.1886 -0.3788 -0.2406 1333 ASP B OD1 2233 O OD2 . ASP B 102 ? 1.0716 0.7320 0.9577 0.1398 -0.3784 -0.2276 1333 ASP B OD2 2234 N N . SER B 103 ? 0.8189 0.6174 0.6290 0.2345 -0.2964 -0.2129 1334 SER B N 2235 C CA . SER B 103 ? 0.6682 0.5134 0.4692 0.2534 -0.2733 -0.2049 1334 SER B CA 2236 C C . SER B 103 ? 0.7948 0.6435 0.5645 0.2872 -0.2596 -0.2091 1334 SER B C 2237 O O . SER B 103 ? 0.8025 0.6642 0.5426 0.3150 -0.2541 -0.2149 1334 SER B O 2238 C CB . SER B 103 ? 0.6025 0.4902 0.4448 0.2305 -0.2482 -0.1804 1334 SER B CB 2239 O OG . SER B 103 ? 0.6495 0.5775 0.4841 0.2482 -0.2240 -0.1715 1334 SER B OG 2240 N N . ASN B 104 ? 0.7273 0.5678 0.5066 0.2856 -0.2519 -0.2034 1335 ASN B N 2241 C CA . ASN B 104 ? 0.7418 0.5895 0.4975 0.3176 -0.2394 -0.2072 1335 ASN B CA 2242 C C . ASN B 104 ? 0.8320 0.6529 0.5499 0.3408 -0.2565 -0.2199 1335 ASN B C 2243 O O . ASN B 104 ? 0.8265 0.6717 0.5216 0.3661 -0.2447 -0.2183 1335 ASN B O 2244 C CB . ASN B 104 ? 0.7886 0.6283 0.5617 0.3108 -0.2337 -0.1993 1335 ASN B CB 2245 C CG . ASN B 104 ? 0.7507 0.6211 0.5135 0.3318 -0.2145 -0.1940 1335 ASN B CG 2246 O OD1 . ASN B 104 ? 0.7399 0.6592 0.5205 0.3324 -0.1894 -0.1818 1335 ASN B OD1 2247 N ND2 . ASN B 104 ? 0.7212 0.5643 0.4585 0.3453 -0.2257 -0.2012 1335 ASN B ND2 2248 N N . GLN B 105 ? 0.8717 0.6446 0.5868 0.3294 -0.2827 -0.2292 1336 GLN B N 2249 C CA . GLN B 105 ? 0.9320 0.6737 0.6155 0.3493 -0.3013 -0.2409 1336 GLN B CA 2250 C C . GLN B 105 ? 0.9721 0.7290 0.6364 0.3677 -0.3030 -0.2467 1336 GLN B C 2251 O O . GLN B 105 ? 0.9701 0.7252 0.6016 0.3971 -0.3050 -0.2522 1336 GLN B O 2252 C CB . GLN B 105 ? 0.9381 0.6259 0.6298 0.3273 -0.3279 -0.2484 1336 GLN B CB 2253 C CG . GLN B 105 ? 1.1085 0.7588 0.7699 0.3444 -0.3509 -0.2628 1336 GLN B CG 2254 C CD . GLN B 105 ? 1.2573 0.8844 0.8928 0.3633 -0.3531 -0.2648 1336 GLN B CD 2255 O OE1 . GLN B 105 ? 1.3037 0.9506 0.9413 0.3683 -0.3350 -0.2552 1336 GLN B OE1 2256 N NE2 . GLN B 105 ? 1.3378 0.9232 0.9488 0.3739 -0.3757 -0.2779 1336 GLN B NE2 2257 N N . LEU B 106 ? 0.8897 0.6618 0.5730 0.3508 -0.3020 -0.2450 1337 LEU B N 2258 C CA . LEU B 106 ? 0.8663 0.6519 0.5314 0.3678 -0.3032 -0.2497 1337 LEU B CA 2259 C C . LEU B 106 ? 0.8884 0.7178 0.5347 0.3953 -0.2755 -0.2392 1337 LEU B C 2260 O O . LEU B 106 ? 0.9855 0.8184 0.6003 0.4241 -0.2754 -0.2426 1337 LEU B O 2261 C CB . LEU B 106 ? 0.8407 0.6354 0.5324 0.3406 -0.3087 -0.2484 1337 LEU B CB 2262 C CG . LEU B 106 ? 0.9165 0.7288 0.5917 0.3559 -0.3080 -0.2513 1337 LEU B CG 2263 C CD1 . LEU B 106 ? 0.9265 0.7059 0.5721 0.3774 -0.3313 -0.2683 1337 LEU B CD1 2264 C CD2 . LEU B 106 ? 0.8252 0.6517 0.5324 0.3255 -0.3127 -0.2470 1337 LEU B CD2 2265 N N . ILE B 107 ? 0.8831 0.7468 0.5492 0.3856 -0.2519 -0.2255 1338 ILE B N 2266 C CA . ILE B 107 ? 0.8983 0.8075 0.5526 0.4053 -0.2229 -0.2118 1338 ILE B CA 2267 C C . ILE B 107 ? 0.9650 0.8737 0.5919 0.4302 -0.2195 -0.2124 1338 ILE B C 2268 O O . ILE B 107 ? 0.9591 0.8895 0.5608 0.4542 -0.2065 -0.2066 1338 ILE B O 2269 C CB . ILE B 107 ? 0.7937 0.7380 0.4802 0.3862 -0.1976 -0.1975 1338 ILE B CB 2270 C CG1 . ILE B 107 ? 0.7549 0.7106 0.4612 0.3666 -0.1956 -0.1943 1338 ILE B CG1 2271 C CG2 . ILE B 107 ? 0.8051 0.7934 0.4872 0.4000 -0.1650 -0.1810 1338 ILE B CG2 2272 C CD1 . ILE B 107 ? 0.6922 0.6827 0.4490 0.3399 -0.1708 -0.1711 1338 ILE B CD1 2273 N N . LEU B 108 ? 0.9085 0.7915 0.5392 0.4248 -0.2307 -0.2184 1339 LEU B N 2274 C CA . LEU B 108 ? 0.9153 0.7989 0.5216 0.4473 -0.2268 -0.2193 1339 LEU B CA 2275 C C . LEU B 108 ? 1.0473 0.9036 0.6139 0.4750 -0.2463 -0.2315 1339 LEU B C 2276 O O . LEU B 108 ? 1.1969 1.0687 0.7365 0.5015 -0.2362 -0.2290 1339 LEU B O 2277 C CB . LEU B 108 ? 0.9123 0.7717 0.5308 0.4354 -0.2348 -0.2226 1339 LEU B CB 2278 C CG . LEU B 108 ? 1.1329 0.9921 0.7276 0.4587 -0.2315 -0.2244 1339 LEU B CG 2279 C CD1 . LEU B 108 ? 1.1746 1.0906 0.7782 0.4671 -0.1978 -0.2099 1339 LEU B CD1 2280 C CD2 . LEU B 108 ? 1.1342 0.9601 0.7365 0.4482 -0.2440 -0.2286 1339 LEU B CD2 2281 N N . GLU B 109 ? 0.9974 0.8138 0.5628 0.4682 -0.2733 -0.2447 1340 GLU B N 2282 C CA . GLU B 109 ? 1.0848 0.8686 0.6150 0.4924 -0.2953 -0.2592 1340 GLU B CA 2283 C C . GLU B 109 ? 1.1019 0.9027 0.6110 0.5135 -0.2913 -0.2594 1340 GLU B C 2284 O O . GLU B 109 ? 1.1473 0.9382 0.6195 0.5441 -0.2985 -0.2663 1340 GLU B O 2285 C CB . GLU B 109 ? 1.1459 0.8757 0.6857 0.4727 -0.3271 -0.2745 1340 GLU B CB 2286 C CG . GLU B 109 ? 1.2844 0.9823 0.8274 0.4632 -0.3367 -0.2769 1340 GLU B CG 2287 C CD . GLU B 109 ? 1.3819 1.0241 0.9311 0.4440 -0.3678 -0.2905 1340 GLU B CD 2288 O OE1 . GLU B 109 ? 1.3690 1.0039 0.9312 0.4298 -0.3803 -0.2967 1340 GLU B OE1 2289 O OE2 . GLU B 109 ? 1.4467 1.0535 0.9882 0.4421 -0.3791 -0.2944 1340 GLU B OE2 2290 N N . HIS B 110 ? 1.0575 0.8824 0.5874 0.4990 -0.2800 -0.2517 1341 HIS B N 2291 C CA . HIS B 110 ? 1.0376 0.8715 0.5480 0.5167 -0.2796 -0.2533 1341 HIS B CA 2292 C C . HIS B 110 ? 1.0182 0.9017 0.5333 0.5196 -0.2476 -0.2331 1341 HIS B C 2293 O O . HIS B 110 ? 1.0309 0.9239 0.5264 0.5370 -0.2436 -0.2311 1341 HIS B O 2294 C CB . HIS B 110 ? 1.0385 0.8427 0.5640 0.4962 -0.3048 -0.2680 1341 HIS B CB 2295 C CG . HIS B 110 ? 1.3510 1.1046 0.8685 0.4940 -0.3379 -0.2874 1341 HIS B CG 2296 N ND1 . HIS B 110 ? 1.3325 1.0582 0.8796 0.4618 -0.3532 -0.2919 1341 HIS B ND1 2297 C CD2 . HIS B 110 ? 1.3525 1.0774 0.8351 0.5201 -0.3586 -0.3026 1341 HIS B CD2 2298 C CE1 . HIS B 110 ? 1.4023 1.0840 0.9341 0.4665 -0.3813 -0.3083 1341 HIS B CE1 2299 N NE2 . HIS B 110 ? 1.4380 1.1180 0.9303 0.5020 -0.3860 -0.3162 1341 HIS B NE2 2300 N N . ALA B 111 ? 0.7972 1.1713 0.4143 0.3480 -0.0116 -0.1188 1342 ALA B N 2301 C CA . ALA B 111 ? 0.7728 1.1613 0.4008 0.3470 -0.0015 -0.0975 1342 ALA B CA 2302 C C . ALA B 111 ? 0.7505 1.1541 0.3779 0.3469 0.0062 -0.1029 1342 ALA B C 2303 O O . ALA B 111 ? 0.8604 1.2808 0.4885 0.3431 0.0145 -0.0889 1342 ALA B O 2304 C CB . ALA B 111 ? 0.7583 1.1261 0.4032 0.3502 -0.0001 -0.0820 1342 ALA B CB 2305 N N . GLY B 112 ? 0.8083 1.2058 0.4338 0.3513 0.0037 -0.1231 1343 GLY B N 2306 C CA . GLY B 112 ? 0.8305 1.2440 0.4571 0.3514 0.0113 -0.1291 1343 GLY B CA 2307 C C . GLY B 112 ? 0.8220 1.2343 0.4625 0.3490 0.0190 -0.1108 1343 GLY B C 2308 O O . GLY B 112 ? 0.8087 1.2000 0.4604 0.3508 0.0169 -0.1028 1343 GLY B O 2309 N N . THR B 113 ? 0.8049 1.2383 0.4424 0.3432 0.0282 -0.1042 1344 THR B N 2310 C CA . THR B 113 ? 0.8744 1.3046 0.5204 0.3377 0.0369 -0.0880 1344 THR B CA 2311 C C . THR B 113 ? 0.8456 1.2732 0.4892 0.3323 0.0421 -0.0652 1344 THR B C 2312 O O . THR B 113 ? 0.8069 1.2304 0.4521 0.3258 0.0511 -0.0516 1344 THR B O 2313 C CB . THR B 113 ? 0.9261 1.3789 0.5693 0.3336 0.0449 -0.0944 1344 THR B CB 2314 O OG1 . THR B 113 ? 0.9555 1.4329 0.5852 0.3301 0.0477 -0.0960 1344 THR B OG1 2315 C CG2 . THR B 113 ? 0.8131 1.2686 0.4610 0.3413 0.0411 -0.1155 1344 THR B CG2 2316 N N . PHE B 114 ? 0.7388 1.1683 0.3774 0.3349 0.0370 -0.0611 1345 PHE B N 2317 C CA . PHE B 114 ? 0.7798 1.2121 0.4156 0.3326 0.0418 -0.0396 1345 PHE B CA 2318 C C . PHE B 114 ? 0.7205 1.1272 0.3655 0.3316 0.0475 -0.0220 1345 PHE B C 2319 O O . PHE B 114 ? 0.7769 1.1827 0.4178 0.3271 0.0570 -0.0067 1345 PHE B O 2320 C CB . PHE B 114 ? 0.7689 1.2077 0.4009 0.3361 0.0340 -0.0389 1345 PHE B CB 2321 C CG . PHE B 114 ? 0.7721 1.2140 0.4046 0.3369 0.0381 -0.0157 1345 PHE B CG 2322 C CD1 . PHE B 114 ? 0.8153 1.2827 0.4378 0.3340 0.0428 -0.0058 1345 PHE B CD1 2323 C CD2 . PHE B 114 ? 0.7324 1.1533 0.3755 0.3415 0.0374 -0.0035 1345 PHE B CD2 2324 C CE1 . PHE B 114 ? 0.8407 1.3121 0.4644 0.3371 0.0468 0.0166 1345 PHE B CE1 2325 C CE2 . PHE B 114 ? 0.8136 1.2380 0.4582 0.3447 0.0422 0.0177 1345 PHE B CE2 2326 C CZ . PHE B 114 ? 0.9260 1.3755 0.5611 0.3433 0.0469 0.0281 1345 PHE B CZ 2327 N N . PHE B 115 ? 0.7042 1.0886 0.3596 0.3350 0.0421 -0.0248 1346 PHE B N 2328 C CA . PHE B 115 ? 0.7344 1.0933 0.3973 0.3328 0.0476 -0.0097 1346 PHE B CA 2329 C C . PHE B 115 ? 0.7773 1.1285 0.4416 0.3241 0.0555 -0.0111 1346 PHE B C 2330 O O . PHE B 115 ? 0.7861 1.1215 0.4491 0.3174 0.0649 0.0026 1346 PHE B O 2331 C CB . PHE B 115 ? 0.6690 1.0087 0.3417 0.3380 0.0392 -0.0117 1346 PHE B CB 2332 C CG . PHE B 115 ? 0.6995 1.0448 0.3715 0.3441 0.0341 -0.0060 1346 PHE B CG 2333 C CD1 . PHE B 115 ? 0.7245 1.0722 0.3954 0.3459 0.0410 0.0131 1346 PHE B CD1 2334 C CD2 . PHE B 115 ? 0.7117 1.0599 0.3835 0.3478 0.0229 -0.0198 1346 PHE B CD2 2335 C CE1 . PHE B 115 ? 0.6920 1.0500 0.3642 0.3512 0.0370 0.0189 1346 PHE B CE1 2336 C CE2 . PHE B 115 ? 0.6917 1.0477 0.3622 0.3502 0.0189 -0.0149 1346 PHE B CE2 2337 C CZ . PHE B 115 ? 0.6913 1.0547 0.3634 0.3519 0.0260 0.0049 1346 PHE B CZ 2338 N N . ASP B 116 ? 0.7445 1.1073 0.4104 0.3237 0.0523 -0.0282 1347 ASP B N 2339 C CA . ASP B 116 ? 0.8159 1.1803 0.4829 0.3149 0.0603 -0.0304 1347 ASP B CA 2340 C C . ASP B 116 ? 0.8038 1.1799 0.4587 0.3060 0.0717 -0.0213 1347 ASP B C 2341 O O . ASP B 116 ? 0.6995 1.0662 0.3516 0.2961 0.0816 -0.0130 1347 ASP B O 2342 C CB . ASP B 116 ? 0.9312 1.3116 0.6023 0.3196 0.0548 -0.0506 1347 ASP B CB 2343 C CG . ASP B 116 ? 0.9548 1.3197 0.6364 0.3271 0.0448 -0.0586 1347 ASP B CG 2344 O OD1 . ASP B 116 ? 0.9180 1.2603 0.6048 0.3259 0.0433 -0.0480 1347 ASP B OD1 2345 O OD2 . ASP B 116 ? 0.9933 1.3679 0.6768 0.3346 0.0387 -0.0756 1347 ASP B OD2 2346 N N . GLU B 117 ? 0.7873 1.1854 0.4331 0.3095 0.0703 -0.0229 1348 GLU B N 2347 C CA . GLU B 117 ? 0.8380 1.2482 0.4704 0.3017 0.0801 -0.0127 1348 GLU B CA 2348 C C . GLU B 117 ? 0.8624 1.2489 0.4900 0.2985 0.0875 0.0089 1348 GLU B C 2349 O O . GLU B 117 ? 0.9230 1.3031 0.5408 0.2891 0.0985 0.0185 1348 GLU B O 2350 C CB . GLU B 117 ? 0.8417 1.2809 0.4653 0.3062 0.0761 -0.0175 1348 GLU B CB 2351 N N . ILE B 118 ? 0.7820 1.1572 0.4153 0.3079 0.0819 0.0165 1349 ILE B N 2352 C CA . ILE B 118 ? 0.8163 1.1677 0.4469 0.3087 0.0886 0.0364 1349 ILE B CA 2353 C C . ILE B 118 ? 0.7844 1.1057 0.4161 0.2981 0.0969 0.0397 1349 ILE B C 2354 O O . ILE B 118 ? 0.7865 1.0913 0.4073 0.2929 0.1080 0.0540 1349 ILE B O 2355 C CB . ILE B 118 ? 0.7874 1.1335 0.4277 0.3214 0.0805 0.0415 1349 ILE B CB 2356 C CG1 . ILE B 118 ? 0.8658 1.2419 0.5017 0.3289 0.0750 0.0425 1349 ILE B CG1 2357 C CG2 . ILE B 118 ? 0.8050 1.1227 0.4454 0.3239 0.0882 0.0601 1349 ILE B CG2 2358 C CD1 . ILE B 118 ? 0.8360 1.2139 0.4812 0.3388 0.0660 0.0432 1349 ILE B CD1 2359 N N . GLN B 119 ? 0.6979 1.0139 0.3411 0.2962 0.0919 0.0270 1350 GLN B N 2360 C CA . GLN B 119 ? 0.7154 1.0092 0.3597 0.2868 0.0992 0.0294 1350 GLN B CA 2361 C C . GLN B 119 ? 0.7478 1.0480 0.3783 0.2738 0.1112 0.0305 1350 GLN B C 2362 O O . GLN B 119 ? 0.7833 1.0611 0.4041 0.2634 0.1223 0.0403 1350 GLN B O 2363 C CB . GLN B 119 ? 0.6806 0.9740 0.3401 0.2878 0.0906 0.0154 1350 GLN B CB 2364 C CG . GLN B 119 ? 0.7332 1.0095 0.3942 0.2762 0.0981 0.0166 1350 GLN B CG 2365 C CD . GLN B 119 ? 0.7048 0.9860 0.3807 0.2778 0.0894 0.0034 1350 GLN B CD 2366 O OE1 . GLN B 119 ? 0.7481 1.0423 0.4319 0.2881 0.0780 -0.0073 1350 GLN B OE1 2367 N NE2 . GLN B 119 ? 0.6779 0.9479 0.3563 0.2671 0.0954 0.0041 1350 GLN B NE2 2368 N N . GLN B 120 ? 0.8061 1.1365 0.4345 0.2733 0.1092 0.0198 1351 GLN B N 2369 C CA . GLN B 120 ? 0.9126 1.2549 0.5278 0.2605 0.1198 0.0197 1351 GLN B CA 2370 C C . GLN B 120 ? 0.9506 1.2812 0.5452 0.2539 0.1307 0.0368 1351 GLN B C 2371 O O . GLN B 120 ? 1.0266 1.3426 0.6067 0.2392 0.1427 0.0434 1351 GLN B O 2372 C CB . GLN B 120 ? 0.9002 1.2803 0.5177 0.2640 0.1148 0.0050 1351 GLN B CB 2373 N N . ARG B 121 ? 0.8765 1.2132 0.4685 0.2640 0.1266 0.0442 1352 ARG B N 2374 C CA . ARG B 121 ? 0.9392 1.2682 0.5118 0.2605 0.1358 0.0617 1352 ARG B CA 2375 C C . ARG B 121 ? 0.9517 1.2403 0.5172 0.2576 0.1448 0.0771 1352 ARG B C 2376 O O . ARG B 121 ? 0.9939 1.2680 0.5390 0.2497 0.1561 0.0907 1352 ARG B O 2377 C CB . ARG B 121 ? 0.9931 1.3422 0.5666 0.2730 0.1285 0.0664 1352 ARG B CB 2378 C CG . ARG B 121 ? 1.0530 1.4412 0.6298 0.2743 0.1208 0.0505 1352 ARG B CG 2379 C CD . ARG B 121 ? 1.0616 1.4718 0.6326 0.2811 0.1167 0.0573 1352 ARG B CD 2380 N NE . ARG B 121 ? 1.0859 1.4872 0.6654 0.2949 0.1111 0.0674 1352 ARG B NE 2381 C CZ . ARG B 121 ? 0.9954 1.4086 0.5886 0.3052 0.0995 0.0573 1352 ARG B CZ 2382 N NH1 . ARG B 121 ? 0.8631 1.2938 0.4622 0.3040 0.0922 0.0362 1352 ARG B NH1 2383 N NH2 . ARG B 121 ? 1.0657 1.4730 0.6656 0.3167 0.0958 0.0681 1352 ARG B NH2 2384 N N . HIS B 122 ? 0.8705 1.1397 0.4512 0.2636 0.1403 0.0749 1353 HIS B N 2385 C CA . HIS B 122 ? 0.9235 1.1543 0.4985 0.2619 0.1490 0.0879 1353 HIS B CA 2386 C C . HIS B 122 ? 0.9600 1.1717 0.5320 0.2448 0.1563 0.0814 1353 HIS B C 2387 O O . HIS B 122 ? 0.9160 1.0944 0.4799 0.2390 0.1654 0.0901 1353 HIS B O 2388 C CB . HIS B 122 ? 0.9007 1.1215 0.4927 0.2787 0.1406 0.0917 1353 HIS B CB 2389 C CG . HIS B 122 ? 0.9482 1.1809 0.5396 0.2938 0.1375 0.1036 1353 HIS B CG 2390 N ND1 . HIS B 122 ? 1.0530 1.2657 0.6330 0.3003 0.1471 0.1229 1353 HIS B ND1 2391 C CD2 . HIS B 122 ? 0.9510 1.2159 0.5512 0.3050 0.1264 0.0996 1353 HIS B CD2 2392 C CE1 . HIS B 122 ? 1.0706 1.3069 0.6541 0.3170 0.1421 0.1316 1353 HIS B CE1 2393 N NE2 . HIS B 122 ? 1.0111 1.2797 0.6062 0.3185 0.1294 0.1172 1353 HIS B NE2 2394 N N . GLY B 123 ? 0.8071 0.9883 0.6001 0.2428 0.1439 0.0002 1354 GLY B N 2395 C CA . GLY B 123 ? 0.7688 0.9637 0.5882 0.2216 0.1554 -0.0049 1354 GLY B CA 2396 C C . GLY B 123 ? 0.7049 0.8991 0.5410 0.2049 0.1479 -0.0172 1354 GLY B C 2397 O O . GLY B 123 ? 0.6491 0.8504 0.5116 0.1830 0.1627 -0.0182 1354 GLY B O 2398 N N . LEU B 124 ? 0.6492 0.8354 0.4711 0.2154 0.1240 -0.0275 1355 LEU B N 2399 C CA . LEU B 124 ? 0.5988 0.7785 0.4405 0.1963 0.1100 -0.0371 1355 LEU B CA 2400 C C . LEU B 124 ? 0.6264 0.8256 0.4767 0.1930 0.1021 -0.0498 1355 LEU B C 2401 O O . LEU B 124 ? 0.6763 0.8840 0.5093 0.2112 0.0915 -0.0559 1355 LEU B O 2402 C CB . LEU B 124 ? 0.6006 0.7588 0.4310 0.2037 0.0847 -0.0410 1355 LEU B CB 2403 C CG . LEU B 124 ? 0.6456 0.7858 0.4665 0.2086 0.0895 -0.0289 1355 LEU B CG 2404 C CD1 . LEU B 124 ? 0.7753 0.8977 0.5879 0.2153 0.0624 -0.0349 1355 LEU B CD1 2405 C CD2 . LEU B 124 ? 0.6163 0.7506 0.4598 0.1864 0.1107 -0.0193 1355 LEU B CD2 2406 N N . ALA B 125 ? 0.5956 0.8029 0.4723 0.1707 0.1073 -0.0541 1356 ALA B N 2407 C CA . ALA B 125 ? 0.6624 0.8906 0.5493 0.1667 0.1001 -0.0656 1356 ALA B CA 2408 C C . ALA B 125 ? 0.6676 0.8848 0.5490 0.1732 0.0722 -0.0745 1356 ALA B C 2409 O O . ALA B 125 ? 0.6622 0.8925 0.5410 0.1810 0.0616 -0.0830 1356 ALA B O 2410 C CB . ALA B 125 ? 0.5219 0.7649 0.4386 0.1419 0.1146 -0.0680 1356 ALA B CB 2411 N N . ASN B 126 ? 0.6206 0.8135 0.5014 0.1704 0.0613 -0.0717 1357 ASN B N 2412 C CA . ASN B 126 ? 0.6160 0.7951 0.4949 0.1756 0.0359 -0.0787 1357 ASN B CA 2413 C C . ASN B 126 ? 0.5668 0.7299 0.4213 0.1974 0.0194 -0.0807 1357 ASN B C 2414 O O . ASN B 126 ? 0.5955 0.7460 0.4381 0.2033 0.0226 -0.0737 1357 ASN B O 2415 C CB . ASN B 126 ? 0.6097 0.7732 0.5057 0.1588 0.0325 -0.0753 1357 ASN B CB 2416 C CG . ASN B 126 ? 0.7430 0.9219 0.6628 0.1415 0.0353 -0.0797 1357 ASN B CG 2417 O OD1 . ASN B 126 ? 0.8879 1.0916 0.8142 0.1385 0.0448 -0.0842 1357 ASN B OD1 2418 N ND2 . ASN B 126 ? 0.6235 0.7897 0.5564 0.1311 0.0270 -0.0784 1357 ASN B ND2 2419 N N . SER B 127 ? 0.5355 0.6998 0.3836 0.2098 0.0017 -0.0908 1358 SER B N 2420 C CA . SER B 127 ? 0.6301 0.7794 0.4580 0.2300 -0.0172 -0.0968 1358 SER B CA 2421 C C . SER B 127 ? 0.6361 0.7613 0.4709 0.2251 -0.0330 -0.0966 1358 SER B C 2422 O O . SER B 127 ? 0.5694 0.6897 0.4243 0.2070 -0.0302 -0.0918 1358 SER B O 2423 C CB . SER B 127 ? 0.5987 0.7545 0.4222 0.2425 -0.0309 -0.1085 1358 SER B CB 2424 O OG . SER B 127 ? 0.5567 0.7074 0.4011 0.2316 -0.0417 -0.1122 1358 SER B OG 2425 N N . ILE B 128 ? 0.6201 0.7314 0.4389 0.2414 -0.0498 -0.1024 1359 ILE B N 2426 C CA . ILE B 128 ? 0.5335 0.6237 0.3616 0.2367 -0.0662 -0.1034 1359 ILE B CA 2427 C C . ILE B 128 ? 0.5873 0.6714 0.4376 0.2278 -0.0794 -0.1093 1359 ILE B C 2428 O O . ILE B 128 ? 0.4919 0.5643 0.3604 0.2146 -0.0841 -0.1050 1359 ILE B O 2429 C CB . ILE B 128 ? 0.5796 0.6589 0.3875 0.2567 -0.0832 -0.1111 1359 ILE B CB 2430 C CG1 . ILE B 128 ? 0.5460 0.6057 0.3660 0.2498 -0.0978 -0.1105 1359 ILE B CG1 2431 C CG2 . ILE B 128 ? 0.5416 0.6224 0.3393 0.2738 -0.0987 -0.1265 1359 ILE B CG2 2432 C CD1 . ILE B 128 ? 0.6071 0.6588 0.4100 0.2681 -0.1156 -0.1196 1359 ILE B CD1 2433 N N . SER B 129 ? 0.4922 0.5852 0.3413 0.2357 -0.0840 -0.1179 1360 SER B N 2434 C CA . SER B 129 ? 0.5229 0.6120 0.3930 0.2291 -0.0939 -0.1214 1360 SER B CA 2435 C C . SER B 129 ? 0.4985 0.5992 0.3889 0.2091 -0.0796 -0.1120 1360 SER B C 2436 O O . SER B 129 ? 0.4553 0.5483 0.3659 0.1993 -0.0863 -0.1097 1360 SER B O 2437 C CB . SER B 129 ? 0.5183 0.6163 0.3814 0.2434 -0.0993 -0.1314 1360 SER B CB 2438 O OG . SER B 129 ? 0.7151 0.8035 0.5580 0.2629 -0.1121 -0.1418 1360 SER B OG 2439 N N . SER B 130 ? 0.4004 0.5202 0.2863 0.2032 -0.0596 -0.1068 1361 SER B N 2440 C CA . SER B 130 ? 0.4440 0.5766 0.3492 0.1838 -0.0455 -0.1001 1361 SER B CA 2441 C C . SER B 130 ? 0.4283 0.5449 0.3447 0.1699 -0.0445 -0.0920 1361 SER B C 2442 O O . SER B 130 ? 0.3681 0.4875 0.3040 0.1557 -0.0421 -0.0885 1361 SER B O 2443 C CB . SER B 130 ? 0.4417 0.5979 0.3422 0.1798 -0.0237 -0.0977 1361 SER B CB 2444 O OG . SER B 130 ? 0.4431 0.6112 0.3634 0.1601 -0.0104 -0.0935 1361 SER B OG 2445 N N . TYR B 131 ? 0.4680 0.5695 0.3716 0.1750 -0.0458 -0.0886 1362 TYR B N 2446 C CA . TYR B 131 ? 0.4310 0.5169 0.3438 0.1637 -0.0450 -0.0803 1362 TYR B CA 2447 C C . TYR B 131 ? 0.3606 0.4288 0.2857 0.1637 -0.0656 -0.0823 1362 TYR B C 2448 O O . TYR B 131 ? 0.3754 0.4375 0.3179 0.1504 -0.0649 -0.0759 1362 TYR B O 2449 C CB . TYR B 131 ? 0.4638 0.5411 0.3586 0.1707 -0.0391 -0.0748 1362 TYR B CB 2450 C CG . TYR B 131 ? 0.4268 0.5162 0.3180 0.1641 -0.0138 -0.0670 1362 TYR B CG 2451 C CD1 . TYR B 131 ? 0.4778 0.5666 0.3851 0.1457 0.0009 -0.0592 1362 TYR B CD1 2452 C CD2 . TYR B 131 ? 0.5817 0.6827 0.4547 0.1767 -0.0038 -0.0674 1362 TYR B CD2 2453 C CE1 . TYR B 131 ? 0.4386 0.5365 0.3462 0.1386 0.0249 -0.0528 1362 TYR B CE1 2454 C CE2 . TYR B 131 ? 0.6628 0.7740 0.5360 0.1702 0.0210 -0.0592 1362 TYR B CE2 2455 C CZ . TYR B 131 ? 0.6036 0.7123 0.4953 0.1505 0.0354 -0.0523 1362 TYR B CZ 2456 O OH . TYR B 131 ? 0.5846 0.7015 0.4801 0.1427 0.0610 -0.0449 1362 TYR B OH 2457 N N . LEU B 132 ? 0.4067 0.4664 0.3239 0.1788 -0.0834 -0.0912 1363 LEU B N 2458 C CA . LEU B 132 ? 0.4622 0.5030 0.3927 0.1798 -0.1033 -0.0939 1363 LEU B CA 2459 C C . LEU B 132 ? 0.4280 0.4712 0.3819 0.1720 -0.1071 -0.0931 1363 LEU B C 2460 O O . LEU B 132 ? 0.4489 0.4770 0.4197 0.1689 -0.1195 -0.0914 1363 LEU B O 2461 C CB . LEU B 132 ? 0.4546 0.4861 0.3713 0.1983 -0.1210 -0.1062 1363 LEU B CB 2462 C CG . LEU B 132 ? 0.4672 0.4946 0.3619 0.2087 -0.1222 -0.1072 1363 LEU B CG 2463 C CD1 . LEU B 132 ? 0.5180 0.5387 0.3998 0.2280 -0.1415 -0.1224 1363 LEU B CD1 2464 C CD2 . LEU B 132 ? 0.4958 0.5114 0.3991 0.1990 -0.1229 -0.0978 1363 LEU B CD2 2465 N N . ILE B 133 ? 0.3860 0.4492 0.3415 0.1699 -0.0963 -0.0937 1364 ILE B N 2466 C CA . ILE B 133 ? 0.4186 0.4889 0.3949 0.1640 -0.0975 -0.0913 1364 ILE B CA 2467 C C . ILE B 133 ? 0.3979 0.4734 0.3894 0.1466 -0.0867 -0.0812 1364 ILE B C 2468 O O . ILE B 133 ? 0.3722 0.4506 0.3822 0.1416 -0.0890 -0.0770 1364 ILE B O 2469 C CB . ILE B 133 ? 0.4024 0.4963 0.3741 0.1702 -0.0906 -0.0965 1364 ILE B CB 2470 C CG1 . ILE B 133 ? 0.3729 0.4725 0.3638 0.1706 -0.0957 -0.0949 1364 ILE B CG1 2471 C CG2 . ILE B 133 ? 0.4073 0.5247 0.3738 0.1607 -0.0705 -0.0941 1364 ILE B CG2 2472 C CD1 . ILE B 133 ? 0.4336 0.5098 0.4335 0.1804 -0.1142 -0.0977 1364 ILE B CD1 2473 N N . LYS B 134 ? 0.3999 0.4765 0.3838 0.1384 -0.0742 -0.0769 1365 LYS B N 2474 C CA . LYS B 134 ? 0.4436 0.5286 0.4404 0.1220 -0.0609 -0.0696 1365 LYS B CA 2475 C C . LYS B 134 ? 0.3685 0.4384 0.3828 0.1149 -0.0688 -0.0618 1365 LYS B C 2476 O O . LYS B 134 ? 0.3252 0.4058 0.3542 0.1048 -0.0623 -0.0574 1365 LYS B O 2477 C CB . LYS B 134 ? 0.3617 0.4479 0.3475 0.1154 -0.0445 -0.0664 1365 LYS B CB 2478 C CG . LYS B 134 ? 0.4161 0.5251 0.3933 0.1160 -0.0297 -0.0716 1365 LYS B CG 2479 C CD . LYS B 134 ? 0.4698 0.5782 0.4381 0.1105 -0.0118 -0.0672 1365 LYS B CD 2480 C CE . LYS B 134 ? 0.4861 0.6185 0.4503 0.1100 0.0040 -0.0719 1365 LYS B CE 2481 N NZ . LYS B 134 ? 0.4120 0.5667 0.3948 0.0957 0.0135 -0.0752 1365 LYS B NZ 2482 N N . PRO B 135 ? 0.3662 0.4132 0.3797 0.1202 -0.0825 -0.0601 1366 PRO B N 2483 C CA . PRO B 135 ? 0.3670 0.4017 0.4002 0.1138 -0.0900 -0.0521 1366 PRO B CA 2484 C C . PRO B 135 ? 0.3922 0.4321 0.4432 0.1166 -0.0976 -0.0517 1366 PRO B C 2485 O O . PRO B 135 ? 0.3545 0.3952 0.4231 0.1093 -0.0964 -0.0433 1366 PRO B O 2486 C CB . PRO B 135 ? 0.3899 0.4020 0.4190 0.1207 -0.1046 -0.0529 1366 PRO B CB 2487 C CG . PRO B 135 ? 0.3822 0.3966 0.3867 0.1272 -0.0986 -0.0579 1366 PRO B CG 2488 C CD . PRO B 135 ? 0.3506 0.3843 0.3466 0.1312 -0.0904 -0.0648 1366 PRO B CD 2489 N N . VAL B 136 ? 0.3479 0.3918 0.3942 0.1283 -0.1044 -0.0600 1367 VAL B N 2490 C CA . VAL B 136 ? 0.3621 0.4115 0.4247 0.1330 -0.1097 -0.0586 1367 VAL B CA 2491 C C . VAL B 136 ? 0.3546 0.4317 0.4220 0.1262 -0.0953 -0.0552 1367 VAL B C 2492 O O . VAL B 136 ? 0.3480 0.4316 0.4328 0.1247 -0.0954 -0.0479 1367 VAL B O 2493 C CB . VAL B 136 ? 0.3648 0.4120 0.4199 0.1481 -0.1189 -0.0688 1367 VAL B CB 2494 C CG1 . VAL B 136 ? 0.3417 0.3944 0.4145 0.1541 -0.1223 -0.0656 1367 VAL B CG1 2495 C CG2 . VAL B 136 ? 0.3676 0.3892 0.4183 0.1552 -0.1343 -0.0752 1367 VAL B CG2 2496 N N . GLN B 137 ? 0.3396 0.4345 0.3922 0.1225 -0.0826 -0.0604 1368 GLN B N 2497 C CA . GLN B 137 ? 0.3426 0.4664 0.4002 0.1151 -0.0691 -0.0601 1368 GLN B CA 2498 C C . GLN B 137 ? 0.3112 0.4346 0.3805 0.1014 -0.0623 -0.0522 1368 GLN B C 2499 O O . GLN B 137 ? 0.2989 0.4403 0.3810 0.0980 -0.0584 -0.0487 1368 GLN B O 2500 C CB . GLN B 137 ? 0.2873 0.4294 0.3292 0.1134 -0.0567 -0.0683 1368 GLN B CB 2501 C CG . GLN B 137 ? 0.3256 0.4748 0.3559 0.1278 -0.0612 -0.0762 1368 GLN B CG 2502 C CD . GLN B 137 ? 0.3771 0.5408 0.3915 0.1268 -0.0489 -0.0827 1368 GLN B CD 2503 O OE1 . GLN B 137 ? 0.3529 0.5124 0.3627 0.1174 -0.0389 -0.0810 1368 GLN B OE1 2504 N NE2 . GLN B 137 ? 0.3414 0.5222 0.3484 0.1372 -0.0484 -0.0891 1368 GLN B NE2 2505 N N . ARG B 138 ? 0.3364 0.4407 0.4005 0.0948 -0.0607 -0.0491 1369 ARG B N 2506 C CA . ARG B 138 ? 0.2693 0.3730 0.3422 0.0817 -0.0522 -0.0423 1369 ARG B CA 2507 C C . ARG B 138 ? 0.3089 0.4051 0.4001 0.0823 -0.0610 -0.0326 1369 ARG B C 2508 O O . ARG B 138 ? 0.2858 0.3957 0.3874 0.0754 -0.0540 -0.0285 1369 ARG B O 2509 C CB . ARG B 138 ? 0.3136 0.3975 0.3764 0.0764 -0.0479 -0.0397 1369 ARG B CB 2510 C CG . ARG B 138 ? 0.2764 0.3597 0.3467 0.0627 -0.0363 -0.0335 1369 ARG B CG 2511 C CD . ARG B 138 ? 0.3237 0.4311 0.3933 0.0530 -0.0185 -0.0406 1369 ARG B CD 2512 N NE . ARG B 138 ? 0.2226 0.3293 0.2995 0.0398 -0.0063 -0.0370 1369 ARG B NE 2513 C CZ . ARG B 138 ? 0.2274 0.3564 0.3106 0.0297 0.0074 -0.0439 1369 ARG B CZ 2514 N NH1 . ARG B 138 ? 0.2714 0.4273 0.3549 0.0314 0.0101 -0.0540 1369 ARG B NH1 2515 N NH2 . ARG B 138 ? 0.2288 0.3547 0.3189 0.0181 0.0180 -0.0417 1369 ARG B NH2 2516 N N . VAL B 139 ? 0.2923 0.3679 0.3884 0.0910 -0.0760 -0.0292 1370 VAL B N 2517 C CA . VAL B 139 ? 0.3132 0.3797 0.4295 0.0914 -0.0836 -0.0183 1370 VAL B CA 2518 C C . VAL B 139 ? 0.3388 0.4261 0.4677 0.0972 -0.0826 -0.0154 1370 VAL B C 2519 O O . VAL B 139 ? 0.3550 0.4420 0.5010 0.0969 -0.0841 -0.0046 1370 VAL B O 2520 C CB . VAL B 139 ? 0.3317 0.3707 0.4540 0.0983 -0.0999 -0.0166 1370 VAL B CB 2521 C CG1 . VAL B 139 ? 0.4065 0.4452 0.5314 0.1111 -0.1094 -0.0225 1370 VAL B CG1 2522 C CG2 . VAL B 139 ? 0.3812 0.4078 0.5246 0.0946 -0.1047 -0.0035 1370 VAL B CG2 2523 N N . THR B 140 ? 0.2957 0.4028 0.4162 0.1032 -0.0793 -0.0240 1371 THR B N 2524 C CA . THR B 140 ? 0.3003 0.4322 0.4306 0.1098 -0.0767 -0.0212 1371 THR B CA 2525 C C . THR B 140 ? 0.3312 0.4965 0.4578 0.1023 -0.0627 -0.0257 1371 THR B C 2526 O O . THR B 140 ? 0.3432 0.5352 0.4765 0.1079 -0.0595 -0.0243 1371 THR B O 2527 C CB . THR B 140 ? 0.3419 0.4779 0.4679 0.1238 -0.0825 -0.0272 1371 THR B CB 2528 O OG1 . THR B 140 ? 0.3460 0.4875 0.4522 0.1232 -0.0787 -0.0395 1371 THR B OG1 2529 C CG2 . THR B 140 ? 0.3386 0.4418 0.4713 0.1290 -0.0942 -0.0222 1371 THR B CG2 2530 N N . LYS B 141 ? 0.2826 0.4474 0.3997 0.0900 -0.0539 -0.0313 1372 LYS B N 2531 C CA . LYS B 141 ? 0.3144 0.5090 0.4301 0.0807 -0.0403 -0.0383 1372 LYS B CA 2532 C C . LYS B 141 ? 0.2317 0.4290 0.3580 0.0716 -0.0349 -0.0319 1372 LYS B C 2533 O O . LYS B 141 ? 0.2682 0.4953 0.3993 0.0678 -0.0268 -0.0363 1372 LYS B O 2534 C CB . LYS B 141 ? 0.4276 0.6206 0.5291 0.0726 -0.0314 -0.0484 1372 LYS B CB 2535 C CG . LYS B 141 ? 0.5111 0.7394 0.6105 0.0683 -0.0199 -0.0602 1372 LYS B CG 2536 C CD . LYS B 141 ? 0.4172 0.6640 0.5129 0.0815 -0.0249 -0.0647 1372 LYS B CD 2537 C CE . LYS B 141 ? 0.4224 0.6548 0.5031 0.0871 -0.0271 -0.0691 1372 LYS B CE 2538 N NZ . LYS B 141 ? 0.3751 0.6295 0.4518 0.0996 -0.0297 -0.0746 1372 LYS B NZ 2539 N N . TYR B 142 ? 0.2875 0.3870 0.4344 0.0649 -0.0115 0.0681 1373 TYR B N 2540 C CA . TYR B 142 ? 0.2640 0.3512 0.4013 0.0742 -0.0085 0.0729 1373 TYR B CA 2541 C C . TYR B 142 ? 0.3345 0.4171 0.4485 0.0947 -0.0119 0.0698 1373 TYR B C 2542 O O . TYR B 142 ? 0.3099 0.3889 0.4145 0.1033 -0.0132 0.0608 1373 TYR B O 2543 C CB . TYR B 142 ? 0.2316 0.3078 0.3722 0.0687 0.0006 0.0938 1373 TYR B CB 2544 C CG . TYR B 142 ? 0.2127 0.2871 0.3719 0.0487 0.0012 0.0994 1373 TYR B CG 2545 C CD1 . TYR B 142 ? 0.1836 0.2543 0.3528 0.0427 -0.0024 0.0908 1373 TYR B CD1 2546 C CD2 . TYR B 142 ? 0.2889 0.3622 0.4536 0.0348 0.0036 0.1143 1373 TYR B CD2 2547 C CE1 . TYR B 142 ? 0.2391 0.3032 0.4221 0.0224 -0.0045 0.0989 1373 TYR B CE1 2548 C CE2 . TYR B 142 ? 0.2737 0.3423 0.4502 0.0147 0.0019 0.1215 1373 TYR B CE2 2549 C CZ . TYR B 142 ? 0.2577 0.3209 0.4427 0.0082 -0.0026 0.1148 1373 TYR B CZ 2550 O OH . TYR B 142 ? 0.2580 0.3121 0.4515 -0.0134 -0.0068 0.1248 1373 TYR B OH 2551 N N . GLN B 143 ? 0.2962 0.3769 0.3988 0.1016 -0.0144 0.0770 1374 GLN B N 2552 C CA . GLN B 143 ? 0.3334 0.4058 0.4085 0.1186 -0.0196 0.0774 1374 GLN B CA 2553 C C . GLN B 143 ? 0.3501 0.4290 0.4214 0.1272 -0.0337 0.0557 1374 GLN B C 2554 O O . GLN B 143 ? 0.3862 0.4577 0.4326 0.1389 -0.0377 0.0521 1374 GLN B O 2555 C CB . GLN B 143 ? 0.3251 0.3900 0.3895 0.1227 -0.0227 0.0910 1374 GLN B CB 2556 C CG . GLN B 143 ? 0.3559 0.4298 0.4396 0.1185 -0.0313 0.0835 1374 GLN B CG 2557 C CD . GLN B 143 ? 0.4172 0.4933 0.4966 0.1318 -0.0493 0.0684 1374 GLN B CD 2558 O OE1 . GLN B 143 ? 0.4253 0.4927 0.4809 0.1442 -0.0575 0.0667 1374 GLN B OE1 2559 N NE2 . GLN B 143 ? 0.4099 0.4984 0.5131 0.1291 -0.0564 0.0562 1374 GLN B NE2 2560 N N . LEU B 144 ? 0.3240 0.4182 0.4196 0.1203 -0.0410 0.0402 1375 LEU B N 2561 C CA . LEU B 144 ? 0.3048 0.4086 0.4034 0.1275 -0.0554 0.0181 1375 LEU B CA 2562 C C . LEU B 144 ? 0.3107 0.4124 0.4051 0.1268 -0.0535 0.0088 1375 LEU B C 2563 O O . LEU B 144 ? 0.3288 0.4281 0.4074 0.1382 -0.0642 -0.0030 1375 LEU B O 2564 C CB . LEU B 144 ? 0.2775 0.4031 0.4090 0.1177 -0.0603 0.0014 1375 LEU B CB 2565 C CG . LEU B 144 ? 0.3016 0.4330 0.4430 0.1214 -0.0663 0.0012 1375 LEU B CG 2566 C CD1 . LEU B 144 ? 0.3172 0.4759 0.4941 0.1116 -0.0693 -0.0216 1375 LEU B CD1 2567 C CD2 . LEU B 144 ? 0.3710 0.4900 0.4910 0.1421 -0.0829 0.0023 1375 LEU B CD2 2568 N N . LEU B 145 ? 0.2929 0.3934 0.4011 0.1133 -0.0417 0.0139 1376 LEU B N 2569 C CA . LEU B 145 ? 0.2477 0.3437 0.3568 0.1119 -0.0407 0.0043 1376 LEU B CA 2570 C C . LEU B 145 ? 0.3306 0.4119 0.4113 0.1260 -0.0356 0.0098 1376 LEU B C 2571 O O . LEU B 145 ? 0.3088 0.3870 0.3786 0.1331 -0.0406 -0.0048 1376 LEU B O 2572 C CB . LEU B 145 ? 0.2298 0.3245 0.3620 0.0935 -0.0324 0.0104 1376 LEU B CB 2573 C CG . LEU B 145 ? 0.2346 0.3449 0.3917 0.0750 -0.0358 0.0015 1376 LEU B CG 2574 C CD1 . LEU B 145 ? 0.2617 0.3659 0.4326 0.0549 -0.0274 0.0162 1376 LEU B CD1 2575 C CD2 . LEU B 145 ? 0.2384 0.3572 0.4059 0.0722 -0.0454 -0.0209 1376 LEU B CD2 2576 N N . LEU B 146 ? 0.3020 0.3756 0.3707 0.1288 -0.0252 0.0293 1377 LEU B N 2577 C CA . LEU B 146 ? 0.3503 0.4136 0.3907 0.1403 -0.0171 0.0343 1377 LEU B CA 2578 C C . LEU B 146 ? 0.4118 0.4716 0.4174 0.1536 -0.0285 0.0272 1377 LEU B C 2579 O O . LEU B 146 ? 0.4110 0.4651 0.3918 0.1616 -0.0269 0.0190 1377 LEU B O 2580 C CB . LEU B 146 ? 0.3232 0.3819 0.3614 0.1381 -0.0032 0.0573 1377 LEU B CB 2581 C CG . LEU B 146 ? 0.3482 0.4071 0.4164 0.1272 0.0072 0.0655 1377 LEU B CG 2582 C CD1 . LEU B 146 ? 0.4045 0.4620 0.4772 0.1220 0.0161 0.0881 1377 LEU B CD1 2583 C CD2 . LEU B 146 ? 0.3331 0.3881 0.4045 0.1322 0.0157 0.0573 1377 LEU B CD2 2584 N N . LYS B 147 ? 0.4132 0.4753 0.4167 0.1558 -0.0413 0.0295 1378 LYS B N 2585 C CA . LYS B 147 ? 0.4645 0.5212 0.4383 0.1680 -0.0580 0.0229 1378 LYS B CA 2586 C C . LYS B 147 ? 0.5041 0.5667 0.4800 0.1714 -0.0703 -0.0016 1378 LYS B C 2587 O O . LYS B 147 ? 0.4711 0.5256 0.4135 0.1809 -0.0786 -0.0084 1378 LYS B O 2588 C CB . LYS B 147 ? 0.4405 0.4992 0.4227 0.1704 -0.0726 0.0270 1378 LYS B CB 2589 C CG . LYS B 147 ? 0.4718 0.5180 0.4386 0.1706 -0.0666 0.0510 1378 LYS B CG 2590 C CD . LYS B 147 ? 0.4906 0.5395 0.4761 0.1721 -0.0806 0.0516 1378 LYS B CD 2591 C CE . LYS B 147 ? 0.5361 0.5694 0.5080 0.1698 -0.0752 0.0750 1378 LYS B CE 2592 N NZ . LYS B 147 ? 0.5183 0.5529 0.5165 0.1632 -0.0847 0.0708 1378 LYS B NZ 2593 N N . GLU B 148 ? 0.4287 0.5049 0.4419 0.1620 -0.0718 -0.0147 1379 GLU B N 2594 C CA . GLU B 148 ? 0.4653 0.5477 0.4849 0.1629 -0.0833 -0.0382 1379 GLU B CA 2595 C C . GLU B 148 ? 0.3751 0.4462 0.3736 0.1664 -0.0747 -0.0435 1379 GLU B C 2596 O O . GLU B 148 ? 0.4309 0.4989 0.4093 0.1740 -0.0860 -0.0593 1379 GLU B O 2597 C CB . GLU B 148 ? 0.4974 0.5959 0.5608 0.1479 -0.0835 -0.0491 1379 GLU B CB 2598 C CG . GLU B 148 ? 0.5387 0.6552 0.6270 0.1451 -0.0947 -0.0558 1379 GLU B CG 2599 C CD . GLU B 148 ? 0.7974 0.9243 0.8894 0.1528 -0.1161 -0.0785 1379 GLU B CD 2600 O OE1 . GLU B 148 ? 0.8045 0.9357 0.9062 0.1476 -0.1197 -0.0949 1379 GLU B OE1 2601 O OE2 . GLU B 148 ? 0.8705 1.0001 0.9574 0.1642 -0.1312 -0.0800 1379 GLU B OE2 2602 N N . LEU B 149 ? 0.3640 0.4295 0.3687 0.1612 -0.0557 -0.0320 1380 LEU B N 2603 C CA . LEU B 149 ? 0.4052 0.4620 0.3966 0.1655 -0.0461 -0.0402 1380 LEU B CA 2604 C C . LEU B 149 ? 0.4255 0.4739 0.3682 0.1777 -0.0444 -0.0387 1380 LEU B C 2605 O O . LEU B 149 ? 0.4560 0.4994 0.3780 0.1836 -0.0440 -0.0545 1380 LEU B O 2606 C CB . LEU B 149 ? 0.4255 0.4792 0.4395 0.1586 -0.0277 -0.0281 1380 LEU B CB 2607 C CG . LEU B 149 ? 0.3407 0.3963 0.3961 0.1451 -0.0297 -0.0322 1380 LEU B CG 2608 C CD1 . LEU B 149 ? 0.3207 0.3722 0.3979 0.1379 -0.0157 -0.0142 1380 LEU B CD1 2609 C CD2 . LEU B 149 ? 0.3599 0.4100 0.4204 0.1465 -0.0361 -0.0551 1380 LEU B CD2 2610 N N . LEU B 150 ? 0.4573 0.5028 0.3794 0.1803 -0.0442 -0.0201 1381 LEU B N 2611 C CA . LEU B 150 ? 0.5934 0.6287 0.4639 0.1885 -0.0434 -0.0153 1381 LEU B CA 2612 C C . LEU B 150 ? 0.6393 0.6705 0.4814 0.1961 -0.0661 -0.0320 1381 LEU B C 2613 O O . LEU B 150 ? 0.6512 0.6730 0.4466 0.2014 -0.0656 -0.0351 1381 LEU B O 2614 C CB . LEU B 150 ? 0.6411 0.6709 0.4977 0.1875 -0.0413 0.0102 1381 LEU B CB 2615 C CG . LEU B 150 ? 0.6504 0.6821 0.5200 0.1812 -0.0167 0.0274 1381 LEU B CG 2616 C CD1 . LEU B 150 ? 0.8181 0.8448 0.6847 0.1780 -0.0174 0.0516 1381 LEU B CD1 2617 C CD2 . LEU B 150 ? 0.5948 0.6238 0.4335 0.1838 0.0020 0.0249 1381 LEU B CD2 2618 N N . THR B 151 ? 0.5886 0.6280 0.4584 0.1955 -0.0857 -0.0438 1382 THR B N 2619 C CA . THR B 151 ? 0.5929 0.6302 0.4418 0.2030 -0.1105 -0.0608 1382 THR B CA 2620 C C . THR B 151 ? 0.5567 0.5942 0.4019 0.2035 -0.1109 -0.0853 1382 THR B C 2621 O O . THR B 151 ? 0.6581 0.6920 0.4792 0.2095 -0.1304 -0.1004 1382 THR B O 2622 C CB . THR B 151 ? 0.5308 0.5810 0.4164 0.2026 -0.1324 -0.0682 1382 THR B CB 2623 O OG1 . THR B 151 ? 0.5631 0.6284 0.4968 0.1928 -0.1274 -0.0819 1382 THR B OG1 2624 C CG2 . THR B 151 ? 0.5015 0.5516 0.3965 0.2027 -0.1334 -0.0480 1382 THR B CG2 2625 N N . CYS B 152 ? 0.5220 0.5622 0.3919 0.1975 -0.0918 -0.0899 1383 CYS B N 2626 C CA . CYS B 152 ? 0.5385 0.5772 0.4116 0.1978 -0.0936 -0.1147 1383 CYS B CA 2627 C C . CYS B 152 ? 0.6597 0.6925 0.5314 0.1977 -0.0696 -0.1173 1383 CYS B C 2628 O O . CYS B 152 ? 0.6505 0.6810 0.5385 0.1967 -0.0694 -0.1372 1383 CYS B O 2629 C CB . CYS B 152 ? 0.5069 0.5562 0.4302 0.1890 -0.1047 -0.1273 1383 CYS B CB 2630 S SG . CYS B 152 ? 0.5067 0.5631 0.4811 0.1752 -0.0882 -0.1098 1383 CYS B SG 2631 N N . CYS B 153 ? 0.6912 0.7219 0.5468 0.1989 -0.0502 -0.0985 1384 CYS B N 2632 C CA . CYS B 153 ? 0.6521 0.6808 0.5072 0.2007 -0.0269 -0.1033 1384 CYS B CA 2633 C C . CYS B 153 ? 0.8302 0.8546 0.6275 0.2067 -0.0163 -0.1026 1384 CYS B C 2634 O O . CYS B 153 ? 0.9181 0.9411 0.6887 0.2057 -0.0132 -0.0812 1384 CYS B O 2635 C CB . CYS B 153 ? 0.6480 0.6813 0.5415 0.1947 -0.0097 -0.0837 1384 CYS B CB 2636 S SG . CYS B 153 ? 0.5761 0.6116 0.5338 0.1838 -0.0179 -0.0841 1384 CYS B SG 2637 N N . GLU B 154 ? 0.9477 0.9692 0.7244 0.2116 -0.0109 -0.1266 1385 GLU B N 2638 C CA . GLU B 154 ? 1.1047 1.1241 0.8247 0.2148 0.0038 -0.1291 1385 GLU B CA 2639 C C . GLU B 154 ? 1.1977 1.2260 0.9336 0.2134 0.0349 -0.1199 1385 GLU B C 2640 O O . GLU B 154 ? 1.2076 1.2383 0.9224 0.2095 0.0467 -0.0970 1385 GLU B O 2641 C CB . GLU B 154 ? 1.1017 1.1164 0.7943 0.2200 -0.0004 -0.1615 1385 GLU B CB 2642 N N . GLU B 155 ? 1.2126 1.2451 0.9884 0.2164 0.0466 -0.1383 1386 GLU B N 2643 C CA . GLU B 155 ? 1.2427 1.2853 1.0546 0.2158 0.0713 -0.1302 1386 GLU B CA 2644 C C . GLU B 155 ? 1.2589 1.3001 1.1323 0.2115 0.0614 -0.1174 1386 GLU B C 2645 O O . GLU B 155 ? 1.2322 1.2661 1.1289 0.2105 0.0424 -0.1283 1386 GLU B O 2646 C CB . GLU B 155 ? 1.2205 1.2683 1.0404 0.2230 0.0899 -0.1596 1386 GLU B CB 2647 N N . GLY B 156 ? 1.2677 1.3158 1.1648 0.2069 0.0734 -0.0936 1387 GLY B N 2648 C CA . GLY B 156 ? 1.2175 1.2743 1.0855 0.2053 0.0937 -0.0778 1387 GLY B CA 2649 C C . GLY B 156 ? 1.1189 1.1730 0.9809 0.1977 0.0843 -0.0470 1387 GLY B C 2650 O O . GLY B 156 ? 1.0348 1.0905 0.9390 0.1928 0.0821 -0.0314 1387 GLY B O 2651 N N . LYS B 157 ? 1.2138 1.1811 0.7793 0.0023 0.1886 0.0252 1388 LYS B N 2652 C CA . LYS B 157 ? 1.1005 1.0590 0.6866 -0.0116 0.1596 0.0494 1388 LYS B CA 2653 C C . LYS B 157 ? 1.0412 1.0480 0.6836 -0.0199 0.1777 0.0572 1388 LYS B C 2654 O O . LYS B 157 ? 0.8643 0.8773 0.5527 -0.0192 0.1555 0.0681 1388 LYS B O 2655 C CB . LYS B 157 ? 1.0347 0.9447 0.5478 -0.0402 0.1426 0.0705 1388 LYS B CB 2656 N N . GLY B 158 ? 1.0661 1.1080 0.7046 -0.0277 0.2182 0.0511 1389 GLY B N 2657 C CA . GLY B 158 ? 1.0129 1.1050 0.7040 -0.0376 0.2379 0.0596 1389 GLY B CA 2658 C C . GLY B 158 ? 0.8902 1.0171 0.6663 -0.0157 0.2290 0.0530 1389 GLY B C 2659 O O . GLY B 158 ? 0.8447 0.9853 0.6598 -0.0265 0.2164 0.0684 1389 GLY B O 2660 N N . GLU B 159 ? 0.7674 0.9067 0.5704 0.0137 0.2339 0.0305 1390 GLU B N 2661 C CA . GLU B 159 ? 0.6617 0.8348 0.5433 0.0343 0.2249 0.0240 1390 GLU B CA 2662 C C . GLU B 159 ? 0.7082 0.8561 0.6050 0.0342 0.1826 0.0359 1390 GLU B C 2663 O O . GLU B 159 ? 0.6120 0.7862 0.5644 0.0340 0.1736 0.0422 1390 GLU B O 2664 C CB . GLU B 159 ? 0.6151 0.7963 0.5139 0.0644 0.2323 -0.0006 1390 GLU B CB 2665 C CG . GLU B 159 ? 0.7890 1.0061 0.6953 0.0720 0.2756 -0.0170 1390 GLU B CG 2666 C CD . GLU B 159 ? 0.8944 1.1691 0.8816 0.0717 0.2881 -0.0176 1390 GLU B CD 2667 O OE1 . GLU B 159 ? 0.8419 1.1355 0.8614 0.0608 0.2791 0.0024 1390 GLU B OE1 2668 O OE2 . GLU B 159 ? 0.9850 1.2802 1.0037 0.0782 0.2998 -0.0396 1390 GLU B OE2 2669 N N . LEU B 160 ? 0.6552 0.7527 0.5022 0.0344 0.1569 0.0384 1391 LEU B N 2670 C CA . LEU B 160 ? 0.5449 0.6184 0.4043 0.0372 0.1177 0.0477 1391 LEU B CA 2671 C C . LEU B 160 ? 0.5651 0.6315 0.4271 0.0139 0.1067 0.0683 1391 LEU B C 2672 O O . LEU B 160 ? 0.5535 0.6285 0.4595 0.0180 0.0868 0.0720 1391 LEU B O 2673 C CB . LEU B 160 ? 0.5672 0.5904 0.3724 0.0416 0.0936 0.0476 1391 LEU B CB 2674 C CG . LEU B 160 ? 0.5887 0.6120 0.3954 0.0657 0.0934 0.0286 1391 LEU B CG 2675 C CD1 . LEU B 160 ? 0.5941 0.5658 0.3356 0.0637 0.0739 0.0307 1391 LEU B CD1 2676 C CD2 . LEU B 160 ? 0.4772 0.5267 0.3492 0.0862 0.0751 0.0227 1391 LEU B CD2 2677 N N . LYS B 161 ? 0.5789 0.6293 0.3930 -0.0112 0.1191 0.0814 1392 LYS B N 2678 C CA . LYS B 161 ? 0.5849 0.6235 0.3959 -0.0369 0.1073 0.1035 1392 LYS B CA 2679 C C . LYS B 161 ? 0.5596 0.6424 0.4355 -0.0400 0.1155 0.1061 1392 LYS B C 2680 O O . LYS B 161 ? 0.5534 0.6247 0.4526 -0.0452 0.0903 0.1157 1392 LYS B O 2681 C CB . LYS B 161 ? 0.6510 0.6748 0.4011 -0.0660 0.1249 0.1176 1392 LYS B CB 2682 N N . ASP B 162 ? 0.6229 0.7553 0.5282 -0.0365 0.1498 0.0972 1393 ASP B N 2683 C CA . ASP B 162 ? 0.4940 0.6727 0.4638 -0.0399 0.1581 0.1005 1393 ASP B CA 2684 C C . ASP B 162 ? 0.4652 0.6509 0.4879 -0.0188 0.1331 0.0913 1393 ASP B C 2685 O O . ASP B 162 ? 0.4676 0.6617 0.5254 -0.0275 0.1189 0.0999 1393 ASP B O 2686 C CB . ASP B 162 ? 0.5227 0.7563 0.5184 -0.0356 0.1998 0.0910 1393 ASP B CB 2687 C CG . ASP B 162 ? 0.6918 0.9289 0.6392 -0.0596 0.2287 0.1007 1393 ASP B CG 2688 O OD1 . ASP B 162 ? 0.6596 0.8662 0.5680 -0.0868 0.2155 0.1213 1393 ASP B OD1 2689 O OD2 . ASP B 162 ? 0.6807 0.9513 0.6291 -0.0516 0.2644 0.0879 1393 ASP B OD2 2690 N N . GLY B 163 ? 0.3974 0.5790 0.4234 0.0074 0.1268 0.0742 1394 GLY B N 2691 C CA . GLY B 163 ? 0.3640 0.5530 0.4341 0.0262 0.1028 0.0661 1394 GLY B CA 2692 C C . GLY B 163 ? 0.4141 0.5633 0.4705 0.0211 0.0674 0.0749 1394 GLY B C 2693 O O . GLY B 163 ? 0.3796 0.5399 0.4757 0.0231 0.0509 0.0750 1394 GLY B O 2694 N N . LEU B 164 ? 0.4074 0.5096 0.4072 0.0148 0.0553 0.0818 1395 LEU B N 2695 C CA . LEU B 164 ? 0.4517 0.5131 0.4379 0.0111 0.0213 0.0906 1395 LEU B CA 2696 C C . LEU B 164 ? 0.4826 0.5424 0.4854 -0.0102 0.0151 0.1044 1395 LEU B C 2697 O O . LEU B 164 ? 0.4943 0.5434 0.5207 -0.0059 -0.0096 0.1037 1395 LEU B O 2698 C CB . LEU B 164 ? 0.4977 0.5101 0.4197 0.0043 0.0106 0.0991 1395 LEU B CB 2699 C CG . LEU B 164 ? 0.5206 0.4878 0.4283 0.0006 -0.0253 0.1100 1395 LEU B CG 2700 C CD1 . LEU B 164 ? 0.4377 0.4143 0.3875 0.0248 -0.0472 0.0976 1395 LEU B CD1 2701 C CD2 . LEU B 164 ? 0.5930 0.5138 0.4390 -0.0058 -0.0373 0.1197 1395 LEU B CD2 2702 N N . GLU B 165 ? 0.4824 0.5533 0.4720 -0.0334 0.0375 0.1163 1396 GLU B N 2703 C CA . GLU B 165 ? 0.5132 0.5843 0.5169 -0.0578 0.0329 0.1322 1396 GLU B CA 2704 C C . GLU B 165 ? 0.4589 0.5647 0.5256 -0.0498 0.0284 0.1243 1396 GLU B C 2705 O O . GLU B 165 ? 0.4544 0.5429 0.5358 -0.0583 0.0056 0.1302 1396 GLU B O 2706 C CB . GLU B 165 ? 0.7043 0.7967 0.6894 -0.0829 0.0640 0.1453 1396 GLU B CB 2707 C CG . GLU B 165 ? 0.9087 0.9977 0.8997 -0.1139 0.0582 0.1667 1396 GLU B CG 2708 C CD . GLU B 165 ? 1.1406 1.2436 1.0987 -0.1419 0.0860 0.1832 1396 GLU B CD 2709 O OE1 . GLU B 165 ? 1.1688 1.2768 1.0921 -0.1367 0.1084 0.1766 1396 GLU B OE1 2710 O OE2 . GLU B 165 ? 1.2452 1.3545 1.2109 -0.1702 0.0853 0.2028 1396 GLU B OE2 2711 N N . VAL B 166 ? 0.4433 0.5959 0.5464 -0.0334 0.0485 0.1105 1397 VAL B N 2712 C CA . VAL B 166 ? 0.4712 0.6592 0.6334 -0.0254 0.0434 0.1028 1397 VAL B CA 2713 C C . VAL B 166 ? 0.4292 0.5930 0.5992 -0.0087 0.0108 0.0928 1397 VAL B C 2714 O O . VAL B 166 ? 0.3594 0.5237 0.5563 -0.0136 -0.0059 0.0931 1397 VAL B O 2715 C CB . VAL B 166 ? 0.3455 0.5858 0.5449 -0.0089 0.0686 0.0904 1397 VAL B CB 2716 C CG1 . VAL B 166 ? 0.3263 0.6012 0.5847 -0.0014 0.0593 0.0839 1397 VAL B CG1 2717 C CG2 . VAL B 166 ? 0.3482 0.6198 0.5476 -0.0236 0.1035 0.0984 1397 VAL B CG2 2718 N N . MET B 167 ? 0.3375 0.4804 0.4828 0.0104 0.0018 0.0838 1398 MET B N 2719 C CA . MET B 167 ? 0.3341 0.4658 0.4920 0.0294 -0.0251 0.0727 1398 MET B CA 2720 C C . MET B 167 ? 0.3764 0.4561 0.5065 0.0243 -0.0531 0.0792 1398 MET B C 2721 O O . MET B 167 ? 0.3873 0.4556 0.5260 0.0403 -0.0755 0.0699 1398 MET B O 2722 C CB . MET B 167 ? 0.2402 0.3791 0.3916 0.0523 -0.0238 0.0612 1398 MET B CB 2723 C CG . MET B 167 ? 0.2404 0.4300 0.4288 0.0614 -0.0018 0.0524 1398 MET B CG 2724 S SD . MET B 167 ? 0.2827 0.5196 0.5358 0.0572 -0.0013 0.0499 1398 MET B SD 2725 C CE . MET B 167 ? 0.2625 0.4751 0.5019 0.0704 -0.0301 0.0275 1398 MET B CE 2726 N N . LEU B 168 ? 0.3842 0.4347 0.4833 0.0016 -0.0518 0.0957 1399 LEU B N 2727 C CA . LEU B 168 ? 0.4700 0.4723 0.5524 -0.0078 -0.0795 0.1043 1399 LEU B CA 2728 C C . LEU B 168 ? 0.5000 0.5094 0.6113 -0.0250 -0.0838 0.1090 1399 LEU B C 2729 O O . LEU B 168 ? 0.5639 0.5451 0.6826 -0.0232 -0.1096 0.1059 1399 LEU B O 2730 C CB . LEU B 168 ? 0.5386 0.4994 0.5680 -0.0257 -0.0813 0.1226 1399 LEU B CB 2731 C CG . LEU B 168 ? 0.5547 0.4956 0.5481 -0.0117 -0.0850 0.1204 1399 LEU B CG 2732 C CD1 . LEU B 168 ? 0.6872 0.5895 0.6264 -0.0346 -0.0859 0.1405 1399 LEU B CD1 2733 C CD2 . LEU B 168 ? 0.5146 0.4343 0.5179 0.0114 -0.1147 0.1104 1399 LEU B CD2 2734 N N . SER B 169 ? 0.4112 0.4583 0.5397 -0.0412 -0.0590 0.1158 1400 SER B N 2735 C CA . SER B 169 ? 0.4359 0.4926 0.5920 -0.0613 -0.0627 0.1233 1400 SER B CA 2736 C C . SER B 169 ? 0.5051 0.5842 0.7054 -0.0468 -0.0742 0.1063 1400 SER B C 2737 O O . SER B 169 ? 0.4413 0.5019 0.6530 -0.0566 -0.0938 0.1070 1400 SER B O 2738 C CB . SER B 169 ? 0.4931 0.5927 0.6614 -0.0815 -0.0316 0.1358 1400 SER B CB 2739 O OG . SER B 169 ? 0.7322 0.8129 0.8567 -0.0990 -0.0203 0.1522 1400 SER B OG 2740 N N . VAL B 170 ? 0.4222 0.5396 0.6450 -0.0249 -0.0628 0.0914 1401 VAL B N 2741 C CA . VAL B 170 ? 0.3400 0.4861 0.6040 -0.0133 -0.0712 0.0766 1401 VAL B CA 2742 C C . VAL B 170 ? 0.3666 0.4769 0.6241 -0.0005 -0.1015 0.0640 1401 VAL B C 2743 O O . VAL B 170 ? 0.3407 0.4486 0.6173 -0.0067 -0.1158 0.0589 1401 VAL B O 2744 C CB . VAL B 170 ? 0.3857 0.5771 0.6723 0.0072 -0.0556 0.0651 1401 VAL B CB 2745 C CG1 . VAL B 170 ? 0.3733 0.5868 0.6930 0.0205 -0.0702 0.0497 1401 VAL B CG1 2746 C CG2 . VAL B 170 ? 0.3323 0.5676 0.6413 -0.0033 -0.0265 0.0736 1401 VAL B CG2 2747 N N . PRO B 171 ? 0.4022 0.4861 0.6338 0.0178 -0.1115 0.0583 1402 PRO B N 2748 C CA . PRO B 171 ? 0.3668 0.4187 0.5954 0.0313 -0.1391 0.0461 1402 PRO B CA 2749 C C . PRO B 171 ? 0.4244 0.4236 0.6349 0.0145 -0.1585 0.0552 1402 PRO B C 2750 O O . PRO B 171 ? 0.4702 0.4487 0.6894 0.0208 -0.1798 0.0432 1402 PRO B O 2751 C CB . PRO B 171 ? 0.3903 0.4294 0.5968 0.0525 -0.1437 0.0422 1402 PRO B CB 2752 C CG . PRO B 171 ? 0.3830 0.4223 0.5640 0.0420 -0.1239 0.0573 1402 PRO B CG 2753 C CD . PRO B 171 ? 0.4219 0.5062 0.6292 0.0286 -0.0995 0.0608 1402 PRO B CD 2754 N N . LYS B 172 ? 0.4216 0.3990 0.6066 -0.0072 -0.1521 0.0759 1403 LYS B N 2755 C CA . LYS B 172 ? 0.4366 0.3644 0.6059 -0.0275 -0.1722 0.0881 1403 LYS B CA 2756 C C . LYS B 172 ? 0.4810 0.4213 0.6785 -0.0442 -0.1756 0.0869 1403 LYS B C 2757 O O . LYS B 172 ? 0.5266 0.4280 0.7240 -0.0478 -0.2010 0.0826 1403 LYS B O 2758 C CB . LYS B 172 ? 0.4624 0.3701 0.5973 -0.0514 -0.1633 0.1133 1403 LYS B CB 2759 C CG . LYS B 172 ? 0.6114 0.4605 0.7256 -0.0723 -0.1893 0.1286 1403 LYS B CG 2760 C CD . LYS B 172 ? 0.7525 0.5868 0.8306 -0.0994 -0.1798 0.1556 1403 LYS B CD 2761 C CE . LYS B 172 ? 0.9458 0.7133 0.9987 -0.1166 -0.2120 0.1719 1403 LYS B CE 2762 N NZ . LYS B 172 ? 0.9668 0.7133 1.0445 -0.1208 -0.2352 0.1647 1403 LYS B NZ 2763 N N . LYS B 173 ? 0.4356 0.4292 0.6580 -0.0543 -0.1515 0.0908 1404 LYS B N 2764 C CA . LYS B 173 ? 0.4493 0.4605 0.7010 -0.0720 -0.1545 0.0918 1404 LYS B CA 2765 C C . LYS B 173 ? 0.4276 0.4424 0.7006 -0.0535 -0.1713 0.0673 1404 LYS B C 2766 O O . LYS B 173 ? 0.4611 0.4543 0.7410 -0.0651 -0.1902 0.0638 1404 LYS B O 2767 C CB . LYS B 173 ? 0.4778 0.5507 0.7569 -0.0843 -0.1244 0.1017 1404 LYS B CB 2768 C CG . LYS B 173 ? 0.5358 0.6316 0.8487 -0.1044 -0.1284 0.1054 1404 LYS B CG 2769 C CD . LYS B 173 ? 0.5115 0.6689 0.8550 -0.1178 -0.0988 0.1188 1404 LYS B CD 2770 C CE . LYS B 173 ? 0.5929 0.7695 0.9689 -0.1427 -0.1058 0.1276 1404 LYS B CE 2771 N NZ . LYS B 173 ? 0.5262 0.7587 0.9318 -0.1609 -0.0781 0.1466 1404 LYS B NZ 2772 N N . ALA B 174 ? 0.4249 0.4667 0.7061 -0.0262 -0.1647 0.0506 1405 ALA B N 2773 C CA . ALA B 174 ? 0.3376 0.3868 0.6348 -0.0070 -0.1789 0.0265 1405 ALA B CA 2774 C C . ALA B 174 ? 0.4532 0.4433 0.7300 0.0023 -0.2070 0.0155 1405 ALA B C 2775 O O . ALA B 174 ? 0.4580 0.4367 0.7440 0.0032 -0.2234 0.0002 1405 ALA B O 2776 C CB . ALA B 174 ? 0.2813 0.3684 0.5859 0.0182 -0.1664 0.0148 1405 ALA B CB 2777 N N . ASN B 175 ? 0.4339 0.3856 0.6830 0.0093 -0.2133 0.0229 1406 ASN B N 2778 C CA . ASN B 175 ? 0.4192 0.3114 0.6512 0.0186 -0.2411 0.0152 1406 ASN B CA 2779 C C . ASN B 175 ? 0.5102 0.3615 0.7391 -0.0057 -0.2592 0.0217 1406 ASN B C 2780 O O . ASN B 175 ? 0.5910 0.4105 0.8226 0.0025 -0.2814 0.0040 1406 ASN B O 2781 C CB . ASN B 175 ? 0.4464 0.3050 0.6494 0.0240 -0.2450 0.0290 1406 ASN B CB 2782 C CG . ASN B 175 ? 0.5829 0.3820 0.7735 0.0382 -0.2752 0.0210 1406 ASN B CG 2783 O OD1 . ASN B 175 ? 0.5438 0.3540 0.7336 0.0600 -0.2717 -0.0014 1406 ASN B OD1 2784 N ND2 . ASN B 175 ? 0.6457 0.3906 0.8186 0.0178 -0.2932 0.0368 1406 ASN B ND2 2785 N N . ASP B 176 ? 0.6091 0.4615 0.8319 -0.0360 -0.2497 0.0468 1407 ASP B N 2786 C CA . ASP B 176 ? 0.6850 0.4956 0.9017 -0.0637 -0.2686 0.0590 1407 ASP B CA 2787 C C . ASP B 176 ? 0.6619 0.4920 0.9038 -0.0730 -0.2728 0.0470 1407 ASP B C 2788 O O . ASP B 176 ? 0.7838 0.5745 1.0219 -0.0928 -0.2940 0.0513 1407 ASP B O 2789 C CB . ASP B 176 ? 0.6799 0.4929 0.8826 -0.0954 -0.2555 0.0916 1407 ASP B CB 2790 C CG . ASP B 176 ? 0.8340 0.6182 1.0043 -0.0911 -0.2558 0.1052 1407 ASP B CG 2791 O OD1 . ASP B 176 ? 0.6938 0.4403 0.8524 -0.0679 -0.2750 0.0929 1407 ASP B OD1 2792 O OD2 . ASP B 176 ? 0.9856 0.7864 1.1422 -0.1113 -0.2368 0.1281 1407 ASP B OD2 2793 N N . ALA B 177 ? 0.5685 0.4573 0.8350 -0.0602 -0.2549 0.0330 1408 ALA B N 2794 C CA . ALA B 177 ? 0.5453 0.4572 0.8353 -0.0690 -0.2591 0.0215 1408 ALA B CA 2795 C C . ALA B 177 ? 0.5219 0.4116 0.8105 -0.0459 -0.2794 -0.0107 1408 ALA B C 2796 O O . ALA B 177 ? 0.5735 0.4693 0.8737 -0.0546 -0.2884 -0.0225 1408 ALA B O 2797 C CB . ALA B 177 ? 0.4738 0.4612 0.7931 -0.0697 -0.2316 0.0245 1408 ALA B CB 2798 N N . MET B 178 ? 0.5452 0.4107 0.8197 -0.0173 -0.2864 -0.0246 1409 MET B N 2799 C CA . MET B 178 ? 0.5747 0.4213 0.8484 0.0078 -0.3035 -0.0565 1409 MET B CA 2800 C C . MET B 178 ? 0.6867 0.4636 0.9466 -0.0022 -0.3336 -0.0631 1409 MET B C 2801 O O . MET B 178 ? 0.7172 0.4452 0.9613 -0.0170 -0.3463 -0.0436 1409 MET B O 2802 C CB . MET B 178 ? 0.5422 0.3855 0.8087 0.0412 -0.3024 -0.0669 1409 MET B CB 2803 C CG . MET B 178 ? 0.5217 0.4254 0.7979 0.0517 -0.2762 -0.0595 1409 MET B CG 2804 S SD . MET B 178 ? 0.5237 0.4928 0.8061 0.0520 -0.2409 -0.0722 1409 MET B SD 2805 C CE . MET B 178 ? 0.6854 0.6377 0.9562 0.0762 -0.2478 -0.1070 1409 MET B CE 2806 N N . HIS B 179 ? 0.7613 0.5327 1.0249 0.0052 -0.3453 -0.0902 1410 HIS B N 2807 C CA . HIS B 179 ? 0.9091 0.6220 1.1539 0.0013 -0.3663 -0.0945 1410 HIS B CA 2808 C C . HIS B 179 ? 0.9683 0.6409 1.1995 0.0317 -0.3809 -0.1079 1410 HIS B C 2809 O O . HIS B 179 ? 0.9785 0.6681 1.2140 0.0550 -0.3740 -0.1131 1410 HIS B O 2810 C CB . HIS B 179 ? 0.9781 0.7081 1.2242 -0.0003 -0.3649 -0.1140 1410 HIS B CB #