data_2GAZ # _entry.id 2GAZ # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 2GAZ RCSB RCSB036903 WWPDB D_1000036903 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1CD1 'Crystal structure of mouse CD1d antigen presenting molecule' unspecified PDB 1ZT4 'The crystal structure of human CD1d with and without alpha-Galactosylceramide' unspecified PDB 1Z5L 'Crystal structure of a highly potent short-chain galactosyl ceramide agonist bound to CD1D' unspecified PDB 1ZHN 'Crystal Structure of mouse CD1d bound to the self ligand phosphatidylcholine' unspecified PDB 2AKR 'Structural basis of sulfatide presentation by mouse CD1d' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2GAZ _pdbx_database_status.recvd_initial_deposition_date 2006-03-09 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? # _audit_author.name 'Zajonc, D.M.' _audit_author.pdbx_ordinal 1 # _citation.id primary _citation.title 'Structural characterization of mycobacterial phosphatidylinositol mannoside binding to mouse CD1d.' _citation.journal_abbrev J.Immunol. _citation.journal_volume 177 _citation.page_first 4577 _citation.page_last 4583 _citation.year 2006 _citation.journal_id_ASTM JOIMA3 _citation.country US _citation.journal_id_ISSN 0022-1767 _citation.journal_id_CSD 0952 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 16982895 _citation.pdbx_database_id_DOI ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Zajonc, D.M.' 1 primary 'Ainge, G.D.' 2 primary 'Painter, G.F.' 3 primary 'Severn, W.B.' 4 primary 'Wilson, I.A.' 5 # _cell.entry_id 2GAZ _cell.length_a 41.835 _cell.length_b 110.757 _cell.length_c 107.396 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 2GAZ _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _symmetry.space_group_name_Hall ? # 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 'T-cell surface glycoprotein CD1d1' 32632.668 1 ? ? 'extracellular domain, residues 19-297' ? 2 polymer man beta-2-microglobulin 11660.350 1 ? ? ? ? 3 non-polymer syn N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 4 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 5 non-polymer man ALPHA-D-MANNOSE 180.156 2 ? ? ? ? 6 non-polymer syn ;(2R)-3-[(HYDROXY{[(2R,3R,5S,6R)-3,4,5-TRIHYDROXY-2,6-BIS(ALPHA-D-MANNOPYRANOSYLOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]PROPANE-1,2-DIYL DIHEXADECANOATE ; 1135.313 1 ? ? ? ? 7 water nat water 18.015 45 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'CD1.1 antigen' # 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 ;SEAQQKNYTFRCLQMSSFANRSWSRTDSVVWLGDLQTHRWSNDSATISFTKPWSQGKLSNQQWEKLQHMFQVYRVSFTRD IQELVKMMSPKEDYPIEIQLSAGCEMYPGNASESFLHVAFQGKYVVRFWGTSWQTVPGAPSWLDLPIKVLNADQGTSATV QMLLNDTCPLFVRGLLEAGKSDLEKQEKPVAWLSSVPSSAHGHRQLVCHVSGFYPKPVWVMWMRGDQEQQGTHRGDFLPN ADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYWHHHHHH ; ;SEAQQKNYTFRCLQMSSFANRSWSRTDSVVWLGDLQTHRWSNDSATISFTKPWSQGKLSNQQWEKLQHMFQVYRVSFTRD IQELVKMMSPKEDYPIEIQLSAGCEMYPGNASESFLHVAFQGKYVVRFWGTSWQTVPGAPSWLDLPIKVLNADQGTSATV QMLLNDTCPLFVRGLLEAGKSDLEKQEKPVAWLSSVPSSAHGHRQLVCHVSGFYPKPVWVMWMRGDQEQQGTHRGDFLPN ADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYWHHHHHH ; A ? 2 'polypeptide(L)' no no ;IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYAC RVKHASMAEPKTVYWDRDM ; ;IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYAC RVKHASMAEPKTVYWDRDM ; B ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 SER n 1 2 GLU n 1 3 ALA n 1 4 GLN n 1 5 GLN n 1 6 LYS n 1 7 ASN n 1 8 TYR n 1 9 THR n 1 10 PHE n 1 11 ARG n 1 12 CYS n 1 13 LEU n 1 14 GLN n 1 15 MET n 1 16 SER n 1 17 SER n 1 18 PHE n 1 19 ALA n 1 20 ASN n 1 21 ARG n 1 22 SER n 1 23 TRP n 1 24 SER n 1 25 ARG n 1 26 THR n 1 27 ASP n 1 28 SER n 1 29 VAL n 1 30 VAL n 1 31 TRP n 1 32 LEU n 1 33 GLY n 1 34 ASP n 1 35 LEU n 1 36 GLN n 1 37 THR n 1 38 HIS n 1 39 ARG n 1 40 TRP n 1 41 SER n 1 42 ASN n 1 43 ASP n 1 44 SER n 1 45 ALA n 1 46 THR n 1 47 ILE n 1 48 SER n 1 49 PHE n 1 50 THR n 1 51 LYS n 1 52 PRO n 1 53 TRP n 1 54 SER n 1 55 GLN n 1 56 GLY n 1 57 LYS n 1 58 LEU n 1 59 SER n 1 60 ASN n 1 61 GLN n 1 62 GLN n 1 63 TRP n 1 64 GLU n 1 65 LYS n 1 66 LEU n 1 67 GLN n 1 68 HIS n 1 69 MET n 1 70 PHE n 1 71 GLN n 1 72 VAL n 1 73 TYR n 1 74 ARG n 1 75 VAL n 1 76 SER n 1 77 PHE n 1 78 THR n 1 79 ARG n 1 80 ASP n 1 81 ILE n 1 82 GLN n 1 83 GLU n 1 84 LEU n 1 85 VAL n 1 86 LYS n 1 87 MET n 1 88 MET n 1 89 SER n 1 90 PRO n 1 91 LYS n 1 92 GLU n 1 93 ASP n 1 94 TYR n 1 95 PRO n 1 96 ILE n 1 97 GLU n 1 98 ILE n 1 99 GLN n 1 100 LEU n 1 101 SER n 1 102 ALA n 1 103 GLY n 1 104 CYS n 1 105 GLU n 1 106 MET n 1 107 TYR n 1 108 PRO n 1 109 GLY n 1 110 ASN n 1 111 ALA n 1 112 SER n 1 113 GLU n 1 114 SER n 1 115 PHE n 1 116 LEU n 1 117 HIS n 1 118 VAL n 1 119 ALA n 1 120 PHE n 1 121 GLN n 1 122 GLY n 1 123 LYS n 1 124 TYR n 1 125 VAL n 1 126 VAL n 1 127 ARG n 1 128 PHE n 1 129 TRP n 1 130 GLY n 1 131 THR n 1 132 SER n 1 133 TRP n 1 134 GLN n 1 135 THR n 1 136 VAL n 1 137 PRO n 1 138 GLY n 1 139 ALA n 1 140 PRO n 1 141 SER n 1 142 TRP n 1 143 LEU n 1 144 ASP n 1 145 LEU n 1 146 PRO n 1 147 ILE n 1 148 LYS n 1 149 VAL n 1 150 LEU n 1 151 ASN n 1 152 ALA n 1 153 ASP n 1 154 GLN n 1 155 GLY n 1 156 THR n 1 157 SER n 1 158 ALA n 1 159 THR n 1 160 VAL n 1 161 GLN n 1 162 MET n 1 163 LEU n 1 164 LEU n 1 165 ASN n 1 166 ASP n 1 167 THR n 1 168 CYS n 1 169 PRO n 1 170 LEU n 1 171 PHE n 1 172 VAL n 1 173 ARG n 1 174 GLY n 1 175 LEU n 1 176 LEU n 1 177 GLU n 1 178 ALA n 1 179 GLY n 1 180 LYS n 1 181 SER n 1 182 ASP n 1 183 LEU n 1 184 GLU n 1 185 LYS n 1 186 GLN n 1 187 GLU n 1 188 LYS n 1 189 PRO n 1 190 VAL n 1 191 ALA n 1 192 TRP n 1 193 LEU n 1 194 SER n 1 195 SER n 1 196 VAL n 1 197 PRO n 1 198 SER n 1 199 SER n 1 200 ALA n 1 201 HIS n 1 202 GLY n 1 203 HIS n 1 204 ARG n 1 205 GLN n 1 206 LEU n 1 207 VAL n 1 208 CYS n 1 209 HIS n 1 210 VAL n 1 211 SER n 1 212 GLY n 1 213 PHE n 1 214 TYR n 1 215 PRO n 1 216 LYS n 1 217 PRO n 1 218 VAL n 1 219 TRP n 1 220 VAL n 1 221 MET n 1 222 TRP n 1 223 MET n 1 224 ARG n 1 225 GLY n 1 226 ASP n 1 227 GLN n 1 228 GLU n 1 229 GLN n 1 230 GLN n 1 231 GLY n 1 232 THR n 1 233 HIS n 1 234 ARG n 1 235 GLY n 1 236 ASP n 1 237 PHE n 1 238 LEU n 1 239 PRO n 1 240 ASN n 1 241 ALA n 1 242 ASP n 1 243 GLU n 1 244 THR n 1 245 TRP n 1 246 TYR n 1 247 LEU n 1 248 GLN n 1 249 ALA n 1 250 THR n 1 251 LEU n 1 252 ASP n 1 253 VAL n 1 254 GLU n 1 255 ALA n 1 256 GLY n 1 257 GLU n 1 258 GLU n 1 259 ALA n 1 260 GLY n 1 261 LEU n 1 262 ALA n 1 263 CYS n 1 264 ARG n 1 265 VAL n 1 266 LYS n 1 267 HIS n 1 268 SER n 1 269 SER n 1 270 LEU n 1 271 GLY n 1 272 GLY n 1 273 GLN n 1 274 ASP n 1 275 ILE n 1 276 ILE n 1 277 LEU n 1 278 TYR n 1 279 TRP n 1 280 HIS n 1 281 HIS n 1 282 HIS n 1 283 HIS n 1 284 HIS n 1 285 HIS n 2 1 ILE n 2 2 GLN n 2 3 LYS n 2 4 THR n 2 5 PRO n 2 6 GLN n 2 7 ILE n 2 8 GLN n 2 9 VAL n 2 10 TYR n 2 11 SER n 2 12 ARG n 2 13 HIS n 2 14 PRO n 2 15 PRO n 2 16 GLU n 2 17 ASN n 2 18 GLY n 2 19 LYS n 2 20 PRO n 2 21 ASN n 2 22 ILE n 2 23 LEU n 2 24 ASN n 2 25 CYS n 2 26 TYR n 2 27 VAL n 2 28 THR n 2 29 GLN n 2 30 PHE n 2 31 HIS n 2 32 PRO n 2 33 PRO n 2 34 HIS n 2 35 ILE n 2 36 GLU n 2 37 ILE n 2 38 GLN n 2 39 MET n 2 40 LEU n 2 41 LYS n 2 42 ASN n 2 43 GLY n 2 44 LYS n 2 45 LYS n 2 46 ILE n 2 47 PRO n 2 48 LYS n 2 49 VAL n 2 50 GLU n 2 51 MET n 2 52 SER n 2 53 ASP n 2 54 MET n 2 55 SER n 2 56 PHE n 2 57 SER n 2 58 LYS n 2 59 ASP n 2 60 TRP n 2 61 SER n 2 62 PHE n 2 63 TYR n 2 64 ILE n 2 65 LEU n 2 66 ALA n 2 67 HIS n 2 68 THR n 2 69 GLU n 2 70 PHE n 2 71 THR n 2 72 PRO n 2 73 THR n 2 74 GLU n 2 75 THR n 2 76 ASP n 2 77 THR n 2 78 TYR n 2 79 ALA n 2 80 CYS n 2 81 ARG n 2 82 VAL n 2 83 LYS n 2 84 HIS n 2 85 ALA n 2 86 SER n 2 87 MET n 2 88 ALA n 2 89 GLU n 2 90 PRO n 2 91 LYS n 2 92 THR n 2 93 VAL n 2 94 TYR n 2 95 TRP n 2 96 ASP n 2 97 ARG n 2 98 ASP n 2 99 MET 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 ? ? ? 'house mouse' Mus 'Cd1d1, Cd1.1' ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? 'fall armyworm' 'Spodoptera frugiperda' 7108 Spodoptera ? ? ? ? ? 'SF9 cells' ? ? ? ? ? ? ? baculovirus ? ? ? pBACp10pH ? ? 2 1 sample ? ? ? 'house mouse' Mus B2m ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? 'fall armyworm' 'Spodoptera frugiperda' 7108 Spodoptera ? ? ? ? ? 'SF9 cells' ? ? ? ? ? ? ? baculovirus ? ? ? pBACp10pH ? ? # _pdbx_entity_src_syn.entity_id 3 _pdbx_entity_src_syn.pdbx_src_id 1 _pdbx_entity_src_syn.pdbx_alt_source_flag sample _pdbx_entity_src_syn.pdbx_beg_seq_num ? _pdbx_entity_src_syn.pdbx_end_seq_num ? _pdbx_entity_src_syn.organism_scientific ? _pdbx_entity_src_syn.organism_common_name ? _pdbx_entity_src_syn.ncbi_taxonomy_id ? _pdbx_entity_src_syn.details '2,6-(Di-O- -D-mannopyranosyl)-1-O-(1,2-di-O-palmitoyl-sn-glycero-3-phosphoryl)-D-myo-inositol' # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP CD1D1_MOUSE P11609 1 ;SEAQQKNYTFRCLQMSSFANRSWSRTDSVVWLGDLQTHRWSNDSATISFTKPWSQGKLSNQQWEKLQHMFQVYRVSFTRD IQELVKMMSPKEDYPIEIQLSAGCEMYPGNASESFLHVAFQGKYVVRFWGTSWQTVPGAPSWLDLPIKVLNADQGTSATV QMLLNDTCPLFVRGLLEAGKSDLEKQEKPVAWLSSVPSSADGHRQLVCHVSGFYPKPVWVMWMRGDQEQQGTHRGDFLPN ADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYW ; 19 ? 2 GB AAH85164 55153801 2 ;IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYAC RVKHASMAEPKTVYWDRDM ; 21 ? # 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 2GAZ A 1 ? 279 ? P11609 19 ? 297 ? 1 279 2 2 2GAZ B 1 ? 99 ? 55153801 21 ? 119 ? 1 99 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 2GAZ HIS A 201 ? UNP P11609 ASP 219 'SEE REMARK 999' 201 1 1 2GAZ HIS A 280 ? UNP P11609 ? ? 'EXPRESSION TAG' 280 2 1 2GAZ HIS A 281 ? UNP P11609 ? ? 'EXPRESSION TAG' 281 3 1 2GAZ HIS A 282 ? UNP P11609 ? ? 'EXPRESSION TAG' 282 4 1 2GAZ HIS A 283 ? UNP P11609 ? ? 'EXPRESSION TAG' 283 5 1 2GAZ HIS A 284 ? UNP P11609 ? ? 'EXPRESSION TAG' 284 6 1 2GAZ HIS A 285 ? UNP P11609 ? ? 'EXPRESSION TAG' 285 7 # 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 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 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 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 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 XPX non-polymer . ;(2R)-3-[(HYDROXY{[(2R,3R,5S,6R)-3,4,5-TRIHYDROXY-2,6-BIS(ALPHA-D-MANNOPYRANOSYLOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]PROPANE-1,2-DIYL DIHEXADECANOATE ; '2,6-(DI-O-D-MANNOPYRANOSYL)-1-O-(1,2-DI-O-PALMITOYL-SN-GLYCERO-3-PHOSPHORYL)-D-MYO-INOSITOL' 'C53 H99 O23 P' 1135.313 # _exptl.entry_id 2GAZ _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.81 _exptl_crystal.density_percent_sol 56.19 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.temp 277.0 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 5.5 _exptl_crystal_grow.pdbx_details '20% Peg 4000, 0.1M sodium citrate, 10% n-propanol, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 210' _diffrn_detector.pdbx_collection_date 2005-07-06 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'Double crystal Si(111)' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.0 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ALS BEAMLINE 8.2.1' _diffrn_source.pdbx_synchrotron_site ALS _diffrn_source.pdbx_synchrotron_beamline 8.2.1 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.0 # _reflns.entry_id 2GAZ _reflns.observed_criterion_sigma_I 0 _reflns.observed_criterion_sigma_F 0 _reflns.d_resolution_low 50.0 _reflns.d_resolution_high 2.6 _reflns.number_obs 15322 _reflns.number_all 15322 _reflns.percent_possible_obs 97.0 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.143 _reflns.pdbx_netI_over_sigmaI 7.9 _reflns.B_iso_Wilson_estimate 47.4 _reflns.pdbx_redundancy 3.0 _reflns.R_free_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.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.6 _reflns_shell.d_res_low 2.69 _reflns_shell.percent_possible_all 98.5 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.548 _reflns_shell.meanI_over_sigI_obs 1.8 _reflns_shell.pdbx_redundancy 3.0 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all 1505 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 2GAZ _refine.ls_number_reflns_obs 14514 _refine.ls_number_reflns_all 14514 _refine.pdbx_ls_sigma_I 0 _refine.pdbx_ls_sigma_F 0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 48.34 _refine.ls_d_res_high 2.61 _refine.ls_percent_reflns_obs 96.69 _refine.ls_R_factor_obs 0.21566 _refine.ls_R_factor_all 0.21566 _refine.ls_R_factor_R_work 0.21245 _refine.ls_R_factor_R_free 0.28032 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 760 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc .921 _refine.correlation_coeff_Fo_to_Fc_free .846 _refine.B_iso_mean 46.133 _refine.aniso_B[1][1] .03 _refine.aniso_B[2][2] -.03 _refine.aniso_B[3][3] .00 _refine.aniso_B[1][2] .00 _refine.aniso_B[1][3] .00 _refine.aniso_B[2][3] .00 _refine.solvent_model_details 'BABINET MODEL WITH MASK' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii .80 _refine.pdbx_solvent_shrinkage_radii .80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 'PDB ENTRY 2AKR' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R .759 _refine.pdbx_overall_ESU_R_Free .352 _refine.overall_SU_ML .257 _refine.overall_SU_B 25.384 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag 'LIKELY RESIDUAL' _refine.pdbx_diffrn_id 1 _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2971 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 166 _refine_hist.number_atoms_solvent 45 _refine_hist.number_atoms_total 3182 _refine_hist.d_res_high 2.61 _refine_hist.d_res_low 48.34 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d .015 .022 ? 3235 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.745 1.989 ? 4404 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.500 5.000 ? 364 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 37.563 24.110 ? 146 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 18.890 15.000 ? 502 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 23.710 15.000 ? 15 'X-RAY DIFFRACTION' ? r_chiral_restr .104 .200 ? 484 'X-RAY DIFFRACTION' ? r_gen_planes_refined .006 .020 ? 2384 'X-RAY DIFFRACTION' ? r_nbd_refined .214 .200 ? 1277 'X-RAY DIFFRACTION' ? r_nbtor_refined .313 .200 ? 2133 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined .155 .200 ? 122 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined .181 .200 ? 34 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined .368 .200 ? 3 'X-RAY DIFFRACTION' ? r_mcbond_it .712 1.500 ? 1891 'X-RAY DIFFRACTION' ? r_mcangle_it 1.195 2.000 ? 2978 'X-RAY DIFFRACTION' ? r_scbond_it 1.717 3.000 ? 1566 'X-RAY DIFFRACTION' ? r_scangle_it 2.734 4.500 ? 1426 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.611 _refine_ls_shell.d_res_low 2.679 _refine_ls_shell.number_reflns_R_work 1011 _refine_ls_shell.R_factor_R_work 0.269 _refine_ls_shell.percent_reflns_obs 93.77 _refine_ls_shell.R_factor_R_free 0.401 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 42 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs 1011 _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 2GAZ _struct.title 'Mycobacterial lipoglycan presentation by CD1d' _struct.pdbx_descriptor 'T-cell surface glycoprotein CD1d1, beta-2-microglobulin' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2GAZ _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' _struct_keywords.text 'mycobacteria, NKT cells, TCR, CD1, lipid antigen presentation, IMMUNE SYSTEM' # 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 3 ? F N N 3 ? G N N 4 ? H N N 5 ? I N N 5 ? J N N 6 ? K N N 7 ? L N N 7 ? # _struct_biol.id 1 _struct_biol.details 'heterodimer formed between CD1d and beta-2microglobulin' _struct_biol.pdbx_parent_biol_id ? # 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 1 SER A 59 ? LYS A 86 ? SER A 59 LYS A 86 1 ? 28 HELX_P HELX_P2 2 PRO A 140 ? TRP A 142 ? PRO A 140 TRP A 142 5 ? 3 HELX_P HELX_P3 3 LEU A 143 ? ALA A 152 ? LEU A 143 ALA A 152 1 ? 10 HELX_P HELX_P4 4 ASP A 153 ? ASP A 166 ? ASP A 153 ASP A 166 1 ? 14 HELX_P HELX_P5 5 ASP A 166 ? GLY A 179 ? ASP A 166 GLY A 179 1 ? 14 HELX_P HELX_P6 6 GLY A 179 ? GLU A 184 ? GLY A 179 GLU A 184 1 ? 6 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 104 SG ? ? ? 1_555 A CYS 168 SG ? ? A CYS 104 A CYS 168 1_555 ? ? ? ? ? ? ? 2.109 ? disulf2 disulf ? ? A CYS 208 SG ? ? ? 1_555 A CYS 263 SG ? ? A CYS 208 A CYS 263 1_555 ? ? ? ? ? ? ? 2.039 ? disulf3 disulf ? ? B CYS 25 SG ? ? ? 1_555 B CYS 80 SG ? ? B CYS 25 B CYS 80 1_555 ? ? ? ? ? ? ? 1.994 ? covale1 covale ? ? A ASN 20 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 20 A NAG 501 1_555 ? ? ? ? ? ? ? 1.454 ? covale2 covale ? ? A ASN 42 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 42 A NAG 510 1_555 ? ? ? ? ? ? ? 1.455 ? covale3 covale ? ? A ASN 165 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 165 A NAG 520 1_555 ? ? ? ? ? ? ? 1.464 ? covale4 covale ? ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 520 A NAG 521 1_555 ? ? ? ? ? ? ? 1.448 ? covale5 covale ? ? F NAG . O4 ? ? ? 1_555 G BMA . C1 ? ? A NAG 521 A BMA 522 1_555 ? ? ? ? ? ? ? 1.457 ? covale6 covale ? ? G BMA . O6 ? ? ? 1_555 I MAN . C1 ? ? A BMA 522 A MAN 524 1_555 ? ? ? ? ? ? ? 1.427 ? covale7 covale ? ? G BMA . O3 ? ? ? 1_555 H MAN . C1 ? ? A BMA 522 A MAN 523 1_555 ? ? ? ? ? ? ? 1.453 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 TYR 94 A . ? TYR 94 A PRO 95 A ? PRO 95 A 1 -3.34 2 TYR 214 A . ? TYR 214 A PRO 215 A ? PRO 215 A 1 -0.57 3 HIS 31 B . ? HIS 31 B PRO 32 B ? PRO 32 B 1 5.45 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 8 ? B ? 4 ? C ? 4 ? D ? 4 ? E ? 4 ? F ? 4 ? G ? 4 ? # 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 A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel A 5 6 ? anti-parallel A 6 7 ? anti-parallel A 7 8 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 3 4 ? anti-parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel G 3 4 ? anti-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 A 1 SER A 48 ? PHE A 49 ? SER A 48 PHE A 49 A 2 LEU A 35 ? TRP A 40 ? LEU A 35 TRP A 40 A 3 TRP A 23 ? LEU A 32 ? TRP A 23 LEU A 32 A 4 TYR A 8 ? ASN A 20 ? TYR A 8 ASN A 20 A 5 ILE A 96 ? MET A 106 ? ILE A 96 MET A 106 A 6 SER A 112 ? PHE A 120 ? SER A 112 PHE A 120 A 7 LYS A 123 ? TRP A 129 ? LYS A 123 TRP A 129 A 8 SER A 132 ? THR A 135 ? SER A 132 THR A 135 B 1 VAL A 190 ? PRO A 197 ? VAL A 190 PRO A 197 B 2 HIS A 203 ? PHE A 213 ? HIS A 203 PHE A 213 B 3 TRP A 245 ? GLU A 254 ? TRP A 245 GLU A 254 B 4 HIS A 233 ? ARG A 234 ? HIS A 233 ARG A 234 C 1 VAL A 190 ? PRO A 197 ? VAL A 190 PRO A 197 C 2 HIS A 203 ? PHE A 213 ? HIS A 203 PHE A 213 C 3 TRP A 245 ? GLU A 254 ? TRP A 245 GLU A 254 C 4 LEU A 238 ? PRO A 239 ? LEU A 238 PRO A 239 D 1 GLN A 227 ? GLU A 228 ? GLN A 227 GLU A 228 D 2 TRP A 219 ? ARG A 224 ? TRP A 219 ARG A 224 D 3 LEU A 261 ? LYS A 266 ? LEU A 261 LYS A 266 D 4 ILE A 275 ? TYR A 278 ? ILE A 275 TYR A 278 E 1 GLN B 6 ? SER B 11 ? GLN B 6 SER B 11 E 2 ASN B 21 ? PHE B 30 ? ASN B 21 PHE B 30 E 3 PHE B 62 ? PHE B 70 ? PHE B 62 PHE B 70 E 4 GLU B 50 ? MET B 51 ? GLU B 50 MET B 51 F 1 GLN B 6 ? SER B 11 ? GLN B 6 SER B 11 F 2 ASN B 21 ? PHE B 30 ? ASN B 21 PHE B 30 F 3 PHE B 62 ? PHE B 70 ? PHE B 62 PHE B 70 F 4 SER B 55 ? PHE B 56 ? SER B 55 PHE B 56 G 1 LYS B 44 ? LYS B 45 ? LYS B 44 LYS B 45 G 2 GLU B 36 ? LYS B 41 ? GLU B 36 LYS B 41 G 3 TYR B 78 ? LYS B 83 ? TYR B 78 LYS B 83 G 4 LYS B 91 ? TYR B 94 ? LYS B 91 TYR B 94 # 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 A 1 2 O SER A 48 ? O SER A 48 N ARG A 39 ? N ARG A 39 A 2 3 O LEU A 35 ? O LEU A 35 N LEU A 32 ? N LEU A 32 A 3 4 O VAL A 29 ? O VAL A 29 N LEU A 13 ? N LEU A 13 A 4 5 N TYR A 8 ? N TYR A 8 O MET A 106 ? O MET A 106 A 5 6 N SER A 101 ? N SER A 101 O HIS A 117 ? O HIS A 117 A 6 7 N VAL A 118 ? N VAL A 118 O VAL A 126 ? O VAL A 126 A 7 8 N ARG A 127 ? N ARG A 127 O GLN A 134 ? O GLN A 134 B 1 2 N SER A 194 ? N SER A 194 O VAL A 207 ? O VAL A 207 B 2 3 N VAL A 210 ? N VAL A 210 O LEU A 247 ? O LEU A 247 B 3 4 O THR A 250 ? O THR A 250 N HIS A 233 ? N HIS A 233 C 1 2 N SER A 194 ? N SER A 194 O VAL A 207 ? O VAL A 207 C 2 3 N VAL A 210 ? N VAL A 210 O LEU A 247 ? O LEU A 247 C 3 4 O TYR A 246 ? O TYR A 246 N LEU A 238 ? N LEU A 238 D 1 2 O GLN A 227 ? O GLN A 227 N ARG A 224 ? N ARG A 224 D 2 3 N MET A 223 ? N MET A 223 O ALA A 262 ? O ALA A 262 D 3 4 N CYS A 263 ? N CYS A 263 O LEU A 277 ? O LEU A 277 E 1 2 N TYR B 10 ? N TYR B 10 O ASN B 24 ? O ASN B 24 E 2 3 N CYS B 25 ? N CYS B 25 O ALA B 66 ? O ALA B 66 E 3 4 O HIS B 67 ? O HIS B 67 N GLU B 50 ? N GLU B 50 F 1 2 N TYR B 10 ? N TYR B 10 O ASN B 24 ? O ASN B 24 F 2 3 N CYS B 25 ? N CYS B 25 O ALA B 66 ? O ALA B 66 F 3 4 O TYR B 63 ? O TYR B 63 N SER B 55 ? N SER B 55 G 1 2 O LYS B 44 ? O LYS B 44 N LYS B 41 ? N LYS B 41 G 2 3 N GLN B 38 ? N GLN B 38 O ARG B 81 ? O ARG B 81 G 3 4 N CYS B 80 ? N CYS B 80 O VAL B 93 ? O VAL B 93 # 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 ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 501' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 510' AC3 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE NAG A 520' AC4 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 521' AC5 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE BMA A 522' AC6 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 523' AC7 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MAN A 524' AC8 Software ? ? ? ? 17 'BINDING SITE FOR RESIDUE XPX A 525' # 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 2 ALA A 19 ? ALA A 19 . ? 1_555 ? 2 AC1 2 ASN A 20 ? ASN A 20 . ? 1_555 ? 3 AC2 4 TRP A 23 ? TRP A 23 . ? 1_555 ? 4 AC2 4 SER A 24 ? SER A 24 . ? 1_555 ? 5 AC2 4 ASN A 42 ? ASN A 42 . ? 1_555 ? 6 AC2 4 HOH K . ? HOH A 534 . ? 1_555 ? 7 AC3 9 GLY A 130 ? GLY A 130 . ? 1_555 ? 8 AC3 9 THR A 131 ? THR A 131 . ? 1_555 ? 9 AC3 9 GLN A 161 ? GLN A 161 . ? 1_555 ? 10 AC3 9 ASN A 165 ? ASN A 165 . ? 1_555 ? 11 AC3 9 NAG F . ? NAG A 521 . ? 1_555 ? 12 AC3 9 HOH K . ? HOH A 548 . ? 1_555 ? 13 AC3 9 ASN B 42 ? ASN B 42 . ? 2_555 ? 14 AC3 9 GLY B 43 ? GLY B 43 . ? 2_555 ? 15 AC3 9 THR B 77 ? THR B 77 . ? 2_555 ? 16 AC4 5 TRP A 129 ? TRP A 129 . ? 1_555 ? 17 AC4 5 GLY A 130 ? GLY A 130 . ? 1_555 ? 18 AC4 5 NAG E . ? NAG A 520 . ? 1_555 ? 19 AC4 5 BMA G . ? BMA A 522 . ? 1_555 ? 20 AC4 5 MAN I . ? MAN A 524 . ? 1_555 ? 21 AC5 5 LYS A 57 ? LYS A 57 . ? 1_455 ? 22 AC5 5 GLU A 177 ? GLU A 177 . ? 1_455 ? 23 AC5 5 NAG F . ? NAG A 521 . ? 1_555 ? 24 AC5 5 MAN H . ? MAN A 523 . ? 1_555 ? 25 AC5 5 MAN I . ? MAN A 524 . ? 1_555 ? 26 AC6 1 BMA G . ? BMA A 522 . ? 1_555 ? 27 AC7 5 ALA A 178 ? ALA A 178 . ? 1_455 ? 28 AC7 5 LYS A 180 ? LYS A 180 . ? 1_455 ? 29 AC7 5 SER A 181 ? SER A 181 . ? 1_455 ? 30 AC7 5 NAG F . ? NAG A 521 . ? 1_555 ? 31 AC7 5 BMA G . ? BMA A 522 . ? 1_555 ? 32 AC8 17 PHE A 10 ? PHE A 10 . ? 1_555 ? 33 AC8 17 MET A 69 ? MET A 69 . ? 1_555 ? 34 AC8 17 VAL A 72 ? VAL A 72 . ? 1_555 ? 35 AC8 17 TYR A 73 ? TYR A 73 . ? 1_555 ? 36 AC8 17 SER A 76 ? SER A 76 . ? 1_555 ? 37 AC8 17 PHE A 77 ? PHE A 77 . ? 1_555 ? 38 AC8 17 ARG A 79 ? ARG A 79 . ? 1_555 ? 39 AC8 17 ASP A 80 ? ASP A 80 . ? 1_555 ? 40 AC8 17 ALA A 102 ? ALA A 102 . ? 1_555 ? 41 AC8 17 VAL A 118 ? VAL A 118 . ? 1_555 ? 42 AC8 17 TRP A 133 ? TRP A 133 . ? 1_555 ? 43 AC8 17 ASP A 153 ? ASP A 153 . ? 1_555 ? 44 AC8 17 GLY A 155 ? GLY A 155 . ? 1_555 ? 45 AC8 17 THR A 156 ? THR A 156 . ? 1_555 ? 46 AC8 17 THR A 159 ? THR A 159 . ? 1_555 ? 47 AC8 17 VAL A 160 ? VAL A 160 . ? 1_555 ? 48 AC8 17 PRO A 197 ? PRO A 197 . ? 2_555 ? # _database_PDB_matrix.entry_id 2GAZ _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 2GAZ _atom_sites.fract_transf_matrix[1][1] .023903 _atom_sites.fract_transf_matrix[1][2] .000000 _atom_sites.fract_transf_matrix[1][3] .000000 _atom_sites.fract_transf_matrix[2][1] .000000 _atom_sites.fract_transf_matrix[2][2] .009029 _atom_sites.fract_transf_matrix[2][3] .000000 _atom_sites.fract_transf_matrix[3][1] .000000 _atom_sites.fract_transf_matrix[3][2] .000000 _atom_sites.fract_transf_matrix[3][3] .009311 _atom_sites.fract_transf_vector[1] .00000 _atom_sites.fract_transf_vector[2] .00000 _atom_sites.fract_transf_vector[3] .00000 # loop_ _atom_type.symbol C 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 . ASN A 1 7 ? 9.203 16.035 25.747 1.00 58.70 ? 7 ASN A N 1 ATOM 2 C CA . ASN A 1 7 ? 10.676 15.698 25.702 1.00 58.70 ? 7 ASN A CA 1 ATOM 3 C C . ASN A 1 7 ? 11.036 14.240 25.244 1.00 58.71 ? 7 ASN A C 1 ATOM 4 O O . ASN A 1 7 ? 11.497 14.070 24.119 1.00 59.40 ? 7 ASN A O 1 ATOM 5 C CB . ASN A 1 7 ? 11.366 16.089 27.029 1.00 59.26 ? 7 ASN A CB 1 ATOM 6 C CG . ASN A 1 7 ? 12.634 16.951 26.826 1.00 60.17 ? 7 ASN A CG 1 ATOM 7 O OD1 . ASN A 1 7 ? 12.724 17.763 25.901 1.00 60.10 ? 7 ASN A OD1 1 ATOM 8 N ND2 . ASN A 1 7 ? 13.605 16.786 27.724 1.00 61.44 ? 7 ASN A ND2 1 ATOM 9 N N . TYR A 1 8 ? 10.839 13.203 26.071 1.00 57.84 ? 8 TYR A N 1 ATOM 10 C CA . TYR A 1 8 ? 11.193 11.815 25.646 1.00 57.48 ? 8 TYR A CA 1 ATOM 11 C C . TYR A 1 8 ? 10.067 10.759 25.537 1.00 56.28 ? 8 TYR A C 1 ATOM 12 O O . TYR A 1 8 ? 9.375 10.439 26.497 1.00 56.41 ? 8 TYR A O 1 ATOM 13 C CB . TYR A 1 8 ? 12.334 11.225 26.489 1.00 57.80 ? 8 TYR A CB 1 ATOM 14 C CG . TYR A 1 8 ? 13.674 11.839 26.212 1.00 58.56 ? 8 TYR A CG 1 ATOM 15 C CD1 . TYR A 1 8 ? 14.096 12.972 26.917 1.00 59.26 ? 8 TYR A CD1 1 ATOM 16 C CD2 . TYR A 1 8 ? 14.523 11.303 25.237 1.00 57.92 ? 8 TYR A CD2 1 ATOM 17 C CE1 . TYR A 1 8 ? 15.325 13.563 26.661 1.00 59.11 ? 8 TYR A CE1 1 ATOM 18 C CE2 . TYR A 1 8 ? 15.759 11.886 24.972 1.00 58.64 ? 8 TYR A CE2 1 ATOM 19 C CZ . TYR A 1 8 ? 16.151 13.012 25.693 1.00 59.21 ? 8 TYR A CZ 1 ATOM 20 O OH . TYR A 1 8 ? 17.371 13.598 25.457 1.00 60.10 ? 8 TYR A OH 1 ATOM 21 N N . THR A 1 9 ? 9.934 10.188 24.353 1.00 54.93 ? 9 THR A N 1 ATOM 22 C CA . THR A 1 9 ? 9.011 9.102 24.119 1.00 53.31 ? 9 THR A CA 1 ATOM 23 C C . THR A 1 9 ? 9.783 7.799 24.183 1.00 52.26 ? 9 THR A C 1 ATOM 24 O O . THR A 1 9 ? 10.813 7.679 23.531 1.00 52.31 ? 9 THR A O 1 ATOM 25 C CB . THR A 1 9 ? 8.403 9.250 22.735 1.00 53.52 ? 9 THR A CB 1 ATOM 26 O OG1 . THR A 1 9 ? 7.703 10.500 22.672 1.00 52.02 ? 9 THR A OG1 1 ATOM 27 C CG2 . THR A 1 9 ? 7.463 8.089 22.438 1.00 53.27 ? 9 THR A CG2 1 ATOM 28 N N . PHE A 1 10 ? 9.297 6.852 24.994 1.00 50.65 ? 10 PHE A N 1 ATOM 29 C CA . PHE A 1 10 ? 9.856 5.503 25.117 1.00 48.58 ? 10 PHE A CA 1 ATOM 30 C C . PHE A 1 10 ? 8.858 4.556 24.481 1.00 48.75 ? 10 PHE A C 1 ATOM 31 O O . PHE A 1 10 ? 7.685 4.608 24.826 1.00 49.21 ? 10 PHE A O 1 ATOM 32 C CB . PHE A 1 10 ? 10.020 5.186 26.598 1.00 47.38 ? 10 PHE A CB 1 ATOM 33 C CG . PHE A 1 10 ? 10.426 3.767 26.896 1.00 44.36 ? 10 PHE A CG 1 ATOM 34 C CD1 . PHE A 1 10 ? 11.732 3.358 26.746 1.00 41.44 ? 10 PHE A CD1 1 ATOM 35 C CD2 . PHE A 1 10 ? 9.504 2.860 27.385 1.00 41.90 ? 10 PHE A CD2 1 ATOM 36 C CE1 . PHE A 1 10 ? 12.109 2.059 27.057 1.00 42.50 ? 10 PHE A CE1 1 ATOM 37 C CE2 . PHE A 1 10 ? 9.872 1.552 27.685 1.00 41.33 ? 10 PHE A CE2 1 ATOM 38 C CZ . PHE A 1 10 ? 11.166 1.152 27.520 1.00 42.65 ? 10 PHE A CZ 1 ATOM 39 N N . ARG A 1 11 ? 9.290 3.709 23.554 1.00 48.68 ? 11 ARG A N 1 ATOM 40 C CA . ARG A 1 11 ? 8.356 2.838 22.824 1.00 49.21 ? 11 ARG A CA 1 ATOM 41 C C . ARG A 1 11 ? 8.855 1.404 22.790 1.00 49.30 ? 11 ARG A C 1 ATOM 42 O O . ARG A 1 11 ? 10.001 1.158 22.439 1.00 49.37 ? 11 ARG A O 1 ATOM 43 C CB . ARG A 1 11 ? 8.181 3.265 21.369 1.00 48.82 ? 11 ARG A CB 1 ATOM 44 C CG . ARG A 1 11 ? 7.889 4.720 21.077 1.00 50.23 ? 11 ARG A CG 1 ATOM 45 C CD . ARG A 1 11 ? 7.597 4.922 19.591 1.00 51.23 ? 11 ARG A CD 1 ATOM 46 N NE . ARG A 1 11 ? 8.768 4.928 18.681 1.00 58.13 ? 11 ARG A NE 1 ATOM 47 C CZ . ARG A 1 11 ? 8.738 4.598 17.365 1.00 60.88 ? 11 ARG A CZ 1 ATOM 48 N NH1 . ARG A 1 11 ? 7.606 4.167 16.767 1.00 60.38 ? 11 ARG A NH1 1 ATOM 49 N NH2 . ARG A 1 11 ? 9.853 4.676 16.628 1.00 60.15 ? 11 ARG A NH2 1 ATOM 50 N N . CYS A 1 12 ? 7.993 0.459 23.154 1.00 49.24 ? 12 CYS A N 1 ATOM 51 C CA . CYS A 1 12 ? 8.270 -0.950 22.980 1.00 49.28 ? 12 CYS A CA 1 ATOM 52 C C . CYS A 1 12 ? 7.351 -1.342 21.845 1.00 48.49 ? 12 CYS A C 1 ATOM 53 O O . CYS A 1 12 ? 6.135 -1.181 21.931 1.00 48.12 ? 12 CYS A O 1 ATOM 54 C CB . CYS A 1 12 ? 7.992 -1.754 24.268 1.00 49.73 ? 12 CYS A CB 1 ATOM 55 S SG . CYS A 1 12 ? 8.687 -1.011 25.844 1.00 54.56 ? 12 CYS A SG 1 ATOM 56 N N . LEU A 1 13 ? 7.948 -1.797 20.749 1.00 48.01 ? 13 LEU A N 1 ATOM 57 C CA . LEU A 1 13 ? 7.219 -2.050 19.509 1.00 47.04 ? 13 LEU A CA 1 ATOM 58 C C . LEU A 1 13 ? 7.187 -3.533 19.198 1.00 46.77 ? 13 LEU A C 1 ATOM 59 O O . LEU A 1 13 ? 8.220 -4.137 18.914 1.00 47.20 ? 13 LEU A O 1 ATOM 60 C CB . LEU A 1 13 ? 7.859 -1.286 18.346 1.00 46.39 ? 13 LEU A CB 1 ATOM 61 C CG . LEU A 1 13 ? 8.031 0.235 18.471 1.00 46.70 ? 13 LEU A CG 1 ATOM 62 C CD1 . LEU A 1 13 ? 8.673 0.881 17.214 1.00 44.60 ? 13 LEU A CD1 1 ATOM 63 C CD2 . LEU A 1 13 ? 6.720 0.904 18.801 1.00 45.26 ? 13 LEU A CD2 1 ATOM 64 N N . GLN A 1 14 ? 6.004 -4.120 19.227 1.00 46.29 ? 14 GLN A N 1 ATOM 65 C CA . GLN A 1 14 ? 5.866 -5.543 18.910 1.00 46.52 ? 14 GLN A CA 1 ATOM 66 C C . GLN A 1 14 ? 5.411 -5.761 17.462 1.00 46.01 ? 14 GLN A C 1 ATOM 67 O O . GLN A 1 14 ? 4.503 -5.080 16.977 1.00 45.85 ? 14 GLN A O 1 ATOM 68 C CB . GLN A 1 14 ? 4.897 -6.208 19.907 1.00 46.80 ? 14 GLN A CB 1 ATOM 69 C CG . GLN A 1 14 ? 4.633 -7.713 19.718 1.00 47.08 ? 14 GLN A CG 1 ATOM 70 C CD . GLN A 1 14 ? 3.487 -8.177 20.583 1.00 47.19 ? 14 GLN A CD 1 ATOM 71 O OE1 . GLN A 1 14 ? 3.237 -7.598 21.635 1.00 51.66 ? 14 GLN A OE1 1 ATOM 72 N NE2 . GLN A 1 14 ? 2.781 -9.204 20.154 1.00 46.87 ? 14 GLN A NE2 1 ATOM 73 N N . MET A 1 15 ? 6.043 -6.720 16.791 1.00 45.30 ? 15 MET A N 1 ATOM 74 C CA . MET A 1 15 ? 5.725 -7.050 15.418 1.00 44.88 ? 15 MET A CA 1 ATOM 75 C C . MET A 1 15 ? 5.448 -8.542 15.306 1.00 44.43 ? 15 MET A C 1 ATOM 76 O O . MET A 1 15 ? 6.401 -9.346 15.249 1.00 44.16 ? 15 MET A O 1 ATOM 77 C CB . MET A 1 15 ? 6.904 -6.729 14.531 1.00 44.37 ? 15 MET A CB 1 ATOM 78 C CG . MET A 1 15 ? 7.118 -5.267 14.345 1.00 46.04 ? 15 MET A CG 1 ATOM 79 S SD . MET A 1 15 ? 8.839 -4.968 13.923 1.00 47.06 ? 15 MET A SD 1 ATOM 80 C CE . MET A 1 15 ? 9.564 -4.652 15.558 1.00 45.93 ? 15 MET A CE 1 ATOM 81 N N . SER A 1 16 ? 4.158 -8.903 15.220 1.00 43.31 ? 16 SER A N 1 ATOM 82 C CA . SER A 1 16 ? 3.737 -10.299 15.175 1.00 42.18 ? 16 SER A CA 1 ATOM 83 C C . SER A 1 16 ? 3.053 -10.719 13.887 1.00 42.09 ? 16 SER A C 1 ATOM 84 O O . SER A 1 16 ? 1.955 -10.230 13.564 1.00 42.09 ? 16 SER A O 1 ATOM 85 C CB . SER A 1 16 ? 2.840 -10.620 16.376 1.00 42.30 ? 16 SER A CB 1 ATOM 86 O OG . SER A 1 16 ? 3.544 -10.454 17.584 1.00 39.62 ? 16 SER A OG 1 ATOM 87 N N . SER A 1 17 ? 3.697 -11.654 13.183 1.00 41.75 ? 17 SER A N 1 ATOM 88 C CA . SER A 1 17 ? 3.174 -12.252 11.951 1.00 41.80 ? 17 SER A CA 1 ATOM 89 C C . SER A 1 17 ? 2.730 -13.682 12.157 1.00 42.23 ? 17 SER A C 1 ATOM 90 O O . SER A 1 17 ? 3.517 -14.540 12.549 1.00 42.72 ? 17 SER A O 1 ATOM 91 C CB . SER A 1 17 ? 4.216 -12.236 10.815 1.00 41.50 ? 17 SER A CB 1 ATOM 92 O OG . SER A 1 17 ? 4.773 -10.942 10.663 1.00 41.55 ? 17 SER A OG 1 ATOM 93 N N . PHE A 1 18 ? 1.464 -13.932 11.850 1.00 42.59 ? 18 PHE A N 1 ATOM 94 C CA . PHE A 1 18 ? 0.919 -15.270 11.751 1.00 42.76 ? 18 PHE A CA 1 ATOM 95 C C . PHE A 1 18 ? 0.711 -15.599 10.266 1.00 43.86 ? 18 PHE A C 1 ATOM 96 O O . PHE A 1 18 ? -0.181 -15.056 9.620 1.00 44.07 ? 18 PHE A O 1 ATOM 97 C CB . PHE A 1 18 ? -0.385 -15.323 12.550 1.00 42.16 ? 18 PHE A CB 1 ATOM 98 C CG . PHE A 1 18 ? -0.194 -14.970 14.014 1.00 42.06 ? 18 PHE A CG 1 ATOM 99 C CD1 . PHE A 1 18 ? 0.149 -13.672 14.390 1.00 40.07 ? 18 PHE A CD1 1 ATOM 100 C CD2 . PHE A 1 18 ? -0.308 -15.950 15.002 1.00 39.41 ? 18 PHE A CD2 1 ATOM 101 C CE1 . PHE A 1 18 ? 0.365 -13.367 15.687 1.00 40.44 ? 18 PHE A CE1 1 ATOM 102 C CE2 . PHE A 1 18 ? -0.100 -15.656 16.288 1.00 37.87 ? 18 PHE A CE2 1 ATOM 103 C CZ . PHE A 1 18 ? 0.243 -14.360 16.646 1.00 41.32 ? 18 PHE A CZ 1 ATOM 104 N N . ALA A 1 19 ? 1.558 -16.456 9.708 1.00 44.95 ? 19 ALA A N 1 ATOM 105 C CA . ALA A 1 19 ? 1.351 -16.895 8.322 1.00 46.35 ? 19 ALA A CA 1 ATOM 106 C C . ALA A 1 19 ? 0.316 -18.029 8.184 1.00 47.20 ? 19 ALA A C 1 ATOM 107 O O . ALA A 1 19 ? -0.362 -18.132 7.157 1.00 47.95 ? 19 ALA A O 1 ATOM 108 C CB . ALA A 1 19 ? 2.671 -17.288 7.666 1.00 46.09 ? 19 ALA A CB 1 ATOM 109 N N . ASN A 1 20 ? 0.212 -18.884 9.198 1.00 47.74 ? 20 ASN A N 1 ATOM 110 C CA . ASN A 1 20 ? -0.748 -19.984 9.191 1.00 48.48 ? 20 ASN A CA 1 ATOM 111 C C . ASN A 1 20 ? -0.889 -20.693 10.553 1.00 49.06 ? 20 ASN A C 1 ATOM 112 O O . ASN A 1 20 ? -0.283 -20.282 11.556 1.00 49.65 ? 20 ASN A O 1 ATOM 113 C CB . ASN A 1 20 ? -0.496 -20.967 8.025 1.00 48.45 ? 20 ASN A CB 1 ATOM 114 C CG . ASN A 1 20 ? 0.933 -21.524 7.986 1.00 49.47 ? 20 ASN A CG 1 ATOM 115 O OD1 . ASN A 1 20 ? 1.427 -22.040 8.990 1.00 50.38 ? 20 ASN A OD1 1 ATOM 116 N ND2 . ASN A 1 20 ? 1.566 -21.483 6.783 1.00 50.54 ? 20 ASN A ND2 1 ATOM 117 N N . ARG A 1 21 ? -1.701 -21.746 10.572 1.00 49.53 ? 21 ARG A N 1 ATOM 118 C CA . ARG A 1 21 ? -2.068 -22.488 11.781 1.00 49.62 ? 21 ARG A CA 1 ATOM 119 C C . ARG A 1 21 ? -0.878 -22.848 12.669 1.00 48.97 ? 21 ARG A C 1 ATOM 120 O O . ARG A 1 21 ? -1.041 -23.003 13.887 1.00 49.22 ? 21 ARG A O 1 ATOM 121 C CB . ARG A 1 21 ? -2.861 -23.751 11.396 1.00 50.21 ? 21 ARG A CB 1 ATOM 122 C CG . ARG A 1 21 ? -3.964 -24.138 12.382 1.00 52.41 ? 21 ARG A CG 1 ATOM 123 C CD . ARG A 1 21 ? -5.290 -24.421 11.639 1.00 55.33 ? 21 ARG A CD 1 ATOM 124 N NE . ARG A 1 21 ? -6.167 -25.357 12.352 1.00 58.35 ? 21 ARG A NE 1 ATOM 125 C CZ . ARG A 1 21 ? -5.909 -26.664 12.523 1.00 60.74 ? 21 ARG A CZ 1 ATOM 126 N NH1 . ARG A 1 21 ? -4.778 -27.200 12.058 1.00 60.75 ? 21 ARG A NH1 1 ATOM 127 N NH2 . ARG A 1 21 ? -6.772 -27.448 13.176 1.00 60.50 ? 21 ARG A NH2 1 ATOM 128 N N . SER A 1 22 ? 0.310 -22.972 12.072 1.00 48.03 ? 22 SER A N 1 ATOM 129 C CA . SER A 1 22 ? 1.534 -23.208 12.858 1.00 47.15 ? 22 SER A CA 1 ATOM 130 C C . SER A 1 22 ? 2.811 -22.650 12.222 1.00 46.11 ? 22 SER A C 1 ATOM 131 O O . SER A 1 22 ? 3.783 -23.378 11.991 1.00 46.25 ? 22 SER A O 1 ATOM 132 C CB . SER A 1 22 ? 1.701 -24.702 13.200 1.00 47.51 ? 22 SER A CB 1 ATOM 133 O OG . SER A 1 22 ? 1.941 -25.482 12.040 1.00 46.88 ? 22 SER A OG 1 ATOM 134 N N . TRP A 1 23 ? 2.772 -21.361 11.909 1.00 44.47 ? 23 TRP A N 1 ATOM 135 C CA . TRP A 1 23 ? 3.969 -20.578 11.669 1.00 42.99 ? 23 TRP A CA 1 ATOM 136 C C . TRP A 1 23 ? 3.599 -19.203 12.153 1.00 41.97 ? 23 TRP A C 1 ATOM 137 O O . TRP A 1 23 ? 2.581 -18.653 11.752 1.00 41.51 ? 23 TRP A O 1 ATOM 138 C CB . TRP A 1 23 ? 4.348 -20.544 10.196 1.00 42.99 ? 23 TRP A CB 1 ATOM 139 C CG . TRP A 1 23 ? 5.702 -19.921 9.880 1.00 42.30 ? 23 TRP A CG 1 ATOM 140 C CD1 . TRP A 1 23 ? 6.864 -20.587 9.598 1.00 43.28 ? 23 TRP A CD1 1 ATOM 141 C CD2 . TRP A 1 23 ? 6.011 -18.528 9.761 1.00 42.39 ? 23 TRP A CD2 1 ATOM 142 N NE1 . TRP A 1 23 ? 7.876 -19.696 9.321 1.00 43.20 ? 23 TRP A NE1 1 ATOM 143 C CE2 . TRP A 1 23 ? 7.375 -18.424 9.414 1.00 44.13 ? 23 TRP A CE2 1 ATOM 144 C CE3 . TRP A 1 23 ? 5.270 -17.352 9.917 1.00 42.71 ? 23 TRP A CE3 1 ATOM 145 C CZ2 . TRP A 1 23 ? 8.011 -17.180 9.224 1.00 44.95 ? 23 TRP A CZ2 1 ATOM 146 C CZ3 . TRP A 1 23 ? 5.904 -16.123 9.732 1.00 42.71 ? 23 TRP A CZ3 1 ATOM 147 C CH2 . TRP A 1 23 ? 7.252 -16.046 9.398 1.00 42.99 ? 23 TRP A CH2 1 ATOM 148 N N . SER A 1 24 ? 4.414 -18.682 13.053 1.00 40.76 ? 24 SER A N 1 ATOM 149 C CA . SER A 1 24 ? 4.228 -17.355 13.565 1.00 40.48 ? 24 SER A CA 1 ATOM 150 C C . SER A 1 24 ? 5.541 -16.826 14.140 1.00 39.87 ? 24 SER A C 1 ATOM 151 O O . SER A 1 24 ? 6.392 -17.611 14.595 1.00 39.19 ? 24 SER A O 1 ATOM 152 C CB . SER A 1 24 ? 3.088 -17.314 14.599 1.00 40.61 ? 24 SER A CB 1 ATOM 153 O OG . SER A 1 24 ? 3.384 -18.088 15.737 1.00 41.90 ? 24 SER A OG 1 ATOM 154 N N . ARG A 1 25 ? 5.722 -15.503 14.057 1.00 39.12 ? 25 ARG A N 1 ATOM 155 C CA . ARG A 1 25 ? 6.860 -14.863 14.697 1.00 39.00 ? 25 ARG A CA 1 ATOM 156 C C . ARG A 1 25 ? 6.537 -13.503 15.320 1.00 38.95 ? 25 ARG A C 1 ATOM 157 O O . ARG A 1 25 ? 5.665 -12.748 14.866 1.00 38.16 ? 25 ARG A O 1 ATOM 158 C CB . ARG A 1 25 ? 8.146 -14.887 13.835 1.00 38.57 ? 25 ARG A CB 1 ATOM 159 C CG . ARG A 1 25 ? 8.344 -13.769 12.849 1.00 39.67 ? 25 ARG A CG 1 ATOM 160 C CD . ARG A 1 25 ? 9.685 -13.904 12.065 1.00 39.88 ? 25 ARG A CD 1 ATOM 161 N NE . ARG A 1 25 ? 10.870 -13.674 12.893 1.00 41.95 ? 25 ARG A NE 1 ATOM 162 C CZ . ARG A 1 25 ? 11.902 -14.514 13.005 1.00 44.75 ? 25 ARG A CZ 1 ATOM 163 N NH1 . ARG A 1 25 ? 11.924 -15.651 12.312 1.00 45.14 ? 25 ARG A NH1 1 ATOM 164 N NH2 . ARG A 1 25 ? 12.933 -14.212 13.800 1.00 44.98 ? 25 ARG A NH2 1 ATOM 165 N N . THR A 1 26 ? 7.230 -13.242 16.417 1.00 38.99 ? 26 THR A N 1 ATOM 166 C CA . THR A 1 26 ? 7.037 -12.048 17.190 1.00 39.78 ? 26 THR A CA 1 ATOM 167 C C . THR A 1 26 ? 8.424 -11.526 17.488 1.00 40.56 ? 26 THR A C 1 ATOM 168 O O . THR A 1 26 ? 9.206 -12.181 18.183 1.00 41.23 ? 26 THR A O 1 ATOM 169 C CB . THR A 1 26 ? 6.244 -12.363 18.478 1.00 39.66 ? 26 THR A CB 1 ATOM 170 O OG1 . THR A 1 26 ? 4.919 -12.775 18.119 1.00 41.11 ? 26 THR A OG1 1 ATOM 171 C CG2 . THR A 1 26 ? 6.165 -11.187 19.418 1.00 38.14 ? 26 THR A CG2 1 ATOM 172 N N . ASP A 1 27 ? 8.740 -10.378 16.900 1.00 41.18 ? 27 ASP A N 1 ATOM 173 C CA . ASP A 1 27 ? 9.989 -9.701 17.157 1.00 42.83 ? 27 ASP A CA 1 ATOM 174 C C . ASP A 1 27 ? 9.626 -8.332 17.712 1.00 43.52 ? 27 ASP A C 1 ATOM 175 O O . ASP A 1 27 ? 8.591 -7.790 17.339 1.00 43.95 ? 27 ASP A O 1 ATOM 176 C CB . ASP A 1 27 ? 10.827 -9.519 15.879 1.00 42.50 ? 27 ASP A CB 1 ATOM 177 C CG . ASP A 1 27 ? 11.065 -10.811 15.113 1.00 43.77 ? 27 ASP A CG 1 ATOM 178 O OD1 . ASP A 1 27 ? 10.753 -10.808 13.918 1.00 48.52 ? 27 ASP A OD1 1 ATOM 179 O OD2 . ASP A 1 27 ? 11.603 -11.808 15.637 1.00 44.44 ? 27 ASP A OD2 1 ATOM 180 N N . SER A 1 28 ? 10.485 -7.782 18.579 1.00 44.23 ? 28 SER A N 1 ATOM 181 C CA . SER A 1 28 ? 10.317 -6.438 19.131 1.00 45.14 ? 28 SER A CA 1 ATOM 182 C C . SER A 1 28 ? 11.605 -5.641 19.106 1.00 45.62 ? 28 SER A C 1 ATOM 183 O O . SER A 1 28 ? 12.705 -6.203 19.019 1.00 46.39 ? 28 SER A O 1 ATOM 184 C CB . SER A 1 28 ? 9.812 -6.488 20.576 1.00 45.09 ? 28 SER A CB 1 ATOM 185 O OG . SER A 1 28 ? 8.829 -7.492 20.715 1.00 48.21 ? 28 SER A OG 1 ATOM 186 N N . VAL A 1 29 ? 11.440 -4.324 19.190 1.00 45.29 ? 29 VAL A N 1 ATOM 187 C CA . VAL A 1 29 ? 12.521 -3.385 19.337 1.00 44.92 ? 29 VAL A CA 1 ATOM 188 C C . VAL A 1 29 ? 12.008 -2.331 20.319 1.00 44.80 ? 29 VAL A C 1 ATOM 189 O O . VAL A 1 29 ? 10.809 -2.016 20.320 1.00 45.16 ? 29 VAL A O 1 ATOM 190 C CB . VAL A 1 29 ? 12.878 -2.690 17.978 1.00 45.47 ? 29 VAL A CB 1 ATOM 191 C CG1 . VAL A 1 29 ? 13.487 -3.671 16.999 1.00 45.80 ? 29 VAL A CG1 1 ATOM 192 C CG2 . VAL A 1 29 ? 11.656 -1.986 17.349 1.00 45.24 ? 29 VAL A CG2 1 ATOM 193 N N . VAL A 1 30 ? 12.905 -1.786 21.146 1.00 43.77 ? 30 VAL A N 1 ATOM 194 C CA . VAL A 1 30 ? 12.562 -0.780 22.141 1.00 42.37 ? 30 VAL A CA 1 ATOM 195 C C . VAL A 1 30 ? 13.396 0.471 21.807 1.00 42.51 ? 30 VAL A C 1 ATOM 196 O O . VAL A 1 30 ? 14.599 0.357 21.491 1.00 43.78 ? 30 VAL A O 1 ATOM 197 C CB . VAL A 1 30 ? 12.825 -1.279 23.594 1.00 42.08 ? 30 VAL A CB 1 ATOM 198 C CG1 . VAL A 1 30 ? 12.695 -0.175 24.571 1.00 41.33 ? 30 VAL A CG1 1 ATOM 199 C CG2 . VAL A 1 30 ? 11.866 -2.368 23.967 1.00 41.46 ? 30 VAL A CG2 1 ATOM 200 N N . TRP A 1 31 ? 12.757 1.644 21.851 1.00 40.96 ? 31 TRP A N 1 ATOM 201 C CA . TRP A 1 31 ? 13.382 2.894 21.507 1.00 39.94 ? 31 TRP A CA 1 ATOM 202 C C . TRP A 1 31 ? 13.214 3.894 22.651 1.00 40.32 ? 31 TRP A C 1 ATOM 203 O O . TRP A 1 31 ? 12.106 4.034 23.212 1.00 40.69 ? 31 TRP A O 1 ATOM 204 C CB . TRP A 1 31 ? 12.686 3.497 20.301 1.00 39.43 ? 31 TRP A CB 1 ATOM 205 C CG . TRP A 1 31 ? 12.847 2.794 19.031 1.00 37.95 ? 31 TRP A CG 1 ATOM 206 C CD1 . TRP A 1 31 ? 11.993 1.903 18.497 1.00 37.51 ? 31 TRP A CD1 1 ATOM 207 C CD2 . TRP A 1 31 ? 13.906 2.965 18.077 1.00 37.21 ? 31 TRP A CD2 1 ATOM 208 N NE1 . TRP A 1 31 ? 12.457 1.475 17.278 1.00 38.11 ? 31 TRP A NE1 1 ATOM 209 C CE2 . TRP A 1 31 ? 13.627 2.119 16.994 1.00 35.59 ? 31 TRP A CE2 1 ATOM 210 C CE3 . TRP A 1 31 ? 15.065 3.755 18.040 1.00 39.01 ? 31 TRP A CE3 1 ATOM 211 C CZ2 . TRP A 1 31 ? 14.452 2.021 15.890 1.00 37.56 ? 31 TRP A CZ2 1 ATOM 212 C CZ3 . TRP A 1 31 ? 15.899 3.670 16.930 1.00 38.67 ? 31 TRP A CZ3 1 ATOM 213 C CH2 . TRP A 1 31 ? 15.583 2.799 15.865 1.00 38.85 ? 31 TRP A CH2 1 ATOM 214 N N . LEU A 1 32 ? 14.285 4.612 22.978 1.00 39.51 ? 32 LEU A N 1 ATOM 215 C CA . LEU A 1 32 ? 14.143 5.764 23.832 1.00 39.63 ? 32 LEU A CA 1 ATOM 216 C C . LEU A 1 32 ? 14.470 6.983 23.033 1.00 39.42 ? 32 LEU A C 1 ATOM 217 O O . LEU A 1 32 ? 15.637 7.337 22.910 1.00 39.19 ? 32 LEU A O 1 ATOM 218 C CB . LEU A 1 32 ? 15.046 5.693 25.058 1.00 40.16 ? 32 LEU A CB 1 ATOM 219 C CG . LEU A 1 32 ? 14.876 6.885 26.006 1.00 40.21 ? 32 LEU A CG 1 ATOM 220 C CD1 . LEU A 1 32 ? 13.443 7.031 26.466 1.00 38.14 ? 32 LEU A CD1 1 ATOM 221 C CD2 . LEU A 1 32 ? 15.800 6.699 27.179 1.00 43.36 ? 32 LEU A CD2 1 ATOM 222 N N . GLY A 1 33 ? 13.430 7.633 22.517 1.00 39.29 ? 33 GLY A N 1 ATOM 223 C CA . GLY A 1 33 ? 13.592 8.723 21.574 1.00 40.21 ? 33 GLY A CA 1 ATOM 224 C C . GLY A 1 33 ? 13.922 8.143 20.220 1.00 40.68 ? 33 GLY A C 1 ATOM 225 O O . GLY A 1 33 ? 13.164 7.376 19.687 1.00 41.80 ? 33 GLY A O 1 ATOM 226 N N . ASP A 1 34 ? 15.070 8.489 19.664 1.00 41.54 ? 34 ASP A N 1 ATOM 227 C CA . ASP A 1 34 ? 15.503 7.884 18.410 1.00 41.73 ? 34 ASP A CA 1 ATOM 228 C C . ASP A 1 34 ? 16.668 6.890 18.622 1.00 42.68 ? 34 ASP A C 1 ATOM 229 O O . ASP A 1 34 ? 17.316 6.469 17.662 1.00 43.59 ? 34 ASP A O 1 ATOM 230 C CB . ASP A 1 34 ? 15.813 8.952 17.352 1.00 40.68 ? 34 ASP A CB 1 ATOM 231 C CG . ASP A 1 34 ? 16.720 10.060 17.867 1.00 40.52 ? 34 ASP A CG 1 ATOM 232 O OD1 . ASP A 1 34 ? 17.268 9.916 18.973 1.00 37.97 ? 34 ASP A OD1 1 ATOM 233 O OD2 . ASP A 1 34 ? 16.917 11.085 17.150 1.00 40.78 ? 34 ASP A OD2 1 ATOM 234 N N . LEU A 1 35 ? 16.917 6.495 19.869 1.00 42.62 ? 35 LEU A N 1 ATOM 235 C CA . LEU A 1 35 ? 18.021 5.586 20.136 1.00 43.06 ? 35 LEU A CA 1 ATOM 236 C C . LEU A 1 35 ? 17.463 4.240 20.514 1.00 43.13 ? 35 LEU A C 1 ATOM 237 O O . LEU A 1 35 ? 16.691 4.140 21.456 1.00 44.36 ? 35 LEU A O 1 ATOM 238 C CB . LEU A 1 35 ? 18.905 6.095 21.285 1.00 42.86 ? 35 LEU A CB 1 ATOM 239 C CG . LEU A 1 35 ? 19.617 7.448 21.166 1.00 44.63 ? 35 LEU A CG 1 ATOM 240 C CD1 . LEU A 1 35 ? 20.361 7.692 22.452 1.00 45.76 ? 35 LEU A CD1 1 ATOM 241 C CD2 . LEU A 1 35 ? 20.571 7.558 19.951 1.00 41.89 ? 35 LEU A CD2 1 ATOM 242 N N . GLN A 1 36 ? 17.853 3.192 19.802 1.00 42.81 ? 36 GLN A N 1 ATOM 243 C CA . GLN A 1 36 ? 17.399 1.850 20.147 1.00 42.23 ? 36 GLN A CA 1 ATOM 244 C C . GLN A 1 36 ? 18.018 1.386 21.459 1.00 41.04 ? 36 GLN A C 1 ATOM 245 O O . GLN A 1 36 ? 19.230 1.429 21.634 1.00 39.71 ? 36 GLN A O 1 ATOM 246 C CB . GLN A 1 36 ? 17.748 0.875 19.033 1.00 42.68 ? 36 GLN A CB 1 ATOM 247 C CG . GLN A 1 36 ? 16.795 -0.278 18.985 1.00 45.76 ? 36 GLN A CG 1 ATOM 248 C CD . GLN A 1 36 ? 17.201 -1.363 18.008 1.00 48.61 ? 36 GLN A CD 1 ATOM 249 O OE1 . GLN A 1 36 ? 17.877 -1.108 17.010 1.00 50.39 ? 36 GLN A OE1 1 ATOM 250 N NE2 . GLN A 1 36 ? 16.767 -2.586 18.284 1.00 49.39 ? 36 GLN A NE2 1 ATOM 251 N N . THR A 1 37 ? 17.171 0.928 22.368 1.00 40.64 ? 37 THR A N 1 ATOM 252 C CA . THR A 1 37 ? 17.635 0.385 23.665 1.00 40.89 ? 37 THR A CA 1 ATOM 253 C C . THR A 1 37 ? 17.704 -1.156 23.720 1.00 41.02 ? 37 THR A C 1 ATOM 254 O O . THR A 1 37 ? 18.592 -1.710 24.374 1.00 41.53 ? 37 THR A O 1 ATOM 255 C CB . THR A 1 37 ? 16.788 0.919 24.836 1.00 40.64 ? 37 THR A CB 1 ATOM 256 O OG1 . THR A 1 37 ? 15.390 0.706 24.567 1.00 40.72 ? 37 THR A OG1 1 ATOM 257 C CG2 . THR A 1 37 ? 17.021 2.379 24.989 1.00 40.71 ? 37 THR A CG2 1 ATOM 258 N N . HIS A 1 38 ? 16.790 -1.831 23.007 1.00 40.75 ? 38 HIS A N 1 ATOM 259 C CA . HIS A 1 38 ? 16.642 -3.296 23.020 1.00 40.34 ? 38 HIS A CA 1 ATOM 260 C C . HIS A 1 38 ? 16.128 -3.847 21.680 1.00 41.02 ? 38 HIS A C 1 ATOM 261 O O . HIS A 1 38 ? 15.485 -3.137 20.890 1.00 40.17 ? 38 HIS A O 1 ATOM 262 C CB . HIS A 1 38 ? 15.632 -3.752 24.083 1.00 39.69 ? 38 HIS A CB 1 ATOM 263 C CG . HIS A 1 38 ? 15.850 -3.166 25.443 1.00 39.14 ? 38 HIS A CG 1 ATOM 264 N ND1 . HIS A 1 38 ? 15.474 -1.875 25.773 1.00 38.13 ? 38 HIS A ND1 1 ATOM 265 C CD2 . HIS A 1 38 ? 16.369 -3.707 26.568 1.00 36.45 ? 38 HIS A CD2 1 ATOM 266 C CE1 . HIS A 1 38 ? 15.780 -1.641 27.034 1.00 37.59 ? 38 HIS A CE1 1 ATOM 267 N NE2 . HIS A 1 38 ? 16.320 -2.737 27.541 1.00 37.94 ? 38 HIS A NE2 1 ATOM 268 N N . ARG A 1 39 ? 16.401 -5.133 21.476 1.00 41.30 ? 39 ARG A N 1 ATOM 269 C CA . ARG A 1 39 ? 15.806 -5.938 20.431 1.00 42.04 ? 39 ARG A CA 1 ATOM 270 C C . ARG A 1 39 ? 15.509 -7.292 21.043 1.00 42.96 ? 39 ARG A C 1 ATOM 271 O O . ARG A 1 39 ? 16.230 -7.757 21.929 1.00 43.49 ? 39 ARG A O 1 ATOM 272 C CB . ARG A 1 39 ? 16.759 -6.097 19.257 1.00 41.35 ? 39 ARG A CB 1 ATOM 273 C CG . ARG A 1 39 ? 17.894 -7.090 19.495 1.00 42.30 ? 39 ARG A CG 1 ATOM 274 C CD . ARG A 1 39 ? 18.593 -7.471 18.208 1.00 41.76 ? 39 ARG A CD 1 ATOM 275 N NE . ARG A 1 39 ? 18.978 -6.273 17.493 1.00 43.66 ? 39 ARG A NE 1 ATOM 276 C CZ . ARG A 1 39 ? 20.114 -5.615 17.684 1.00 44.11 ? 39 ARG A CZ 1 ATOM 277 N NH1 . ARG A 1 39 ? 21.017 -6.044 18.568 1.00 42.80 ? 39 ARG A NH1 1 ATOM 278 N NH2 . ARG A 1 39 ? 20.340 -4.531 16.973 1.00 43.66 ? 39 ARG A NH2 1 ATOM 279 N N . TRP A 1 40 ? 14.443 -7.926 20.587 1.00 44.04 ? 40 TRP A N 1 ATOM 280 C CA . TRP A 1 40 ? 14.099 -9.263 21.067 1.00 44.91 ? 40 TRP A CA 1 ATOM 281 C C . TRP A 1 40 ? 13.606 -10.035 19.857 1.00 45.93 ? 40 TRP A C 1 ATOM 282 O O . TRP A 1 40 ? 12.517 -9.769 19.306 1.00 46.13 ? 40 TRP A O 1 ATOM 283 C CB . TRP A 1 40 ? 13.029 -9.198 22.162 1.00 44.35 ? 40 TRP A CB 1 ATOM 284 C CG . TRP A 1 40 ? 12.718 -10.517 22.862 1.00 44.57 ? 40 TRP A CG 1 ATOM 285 C CD1 . TRP A 1 40 ? 13.468 -11.675 22.842 1.00 44.07 ? 40 TRP A CD1 1 ATOM 286 C CD2 . TRP A 1 40 ? 11.596 -10.790 23.724 1.00 43.51 ? 40 TRP A CD2 1 ATOM 287 N NE1 . TRP A 1 40 ? 12.867 -12.637 23.613 1.00 42.36 ? 40 TRP A NE1 1 ATOM 288 C CE2 . TRP A 1 40 ? 11.725 -12.122 24.169 1.00 42.43 ? 40 TRP A CE2 1 ATOM 289 C CE3 . TRP A 1 40 ? 10.500 -10.030 24.171 1.00 42.95 ? 40 TRP A CE3 1 ATOM 290 C CZ2 . TRP A 1 40 ? 10.804 -12.708 25.033 1.00 43.66 ? 40 TRP A CZ2 1 ATOM 291 C CZ3 . TRP A 1 40 ? 9.585 -10.614 25.015 1.00 42.76 ? 40 TRP A CZ3 1 ATOM 292 C CH2 . TRP A 1 40 ? 9.738 -11.942 25.436 1.00 44.18 ? 40 TRP A CH2 1 ATOM 293 N N . SER A 1 41 ? 14.449 -10.955 19.414 1.00 46.63 ? 41 SER A N 1 ATOM 294 C CA . SER A 1 41 ? 14.195 -11.734 18.225 1.00 47.25 ? 41 SER A CA 1 ATOM 295 C C . SER A 1 41 ? 13.339 -12.938 18.605 1.00 47.53 ? 41 SER A C 1 ATOM 296 O O . SER A 1 41 ? 13.496 -13.490 19.697 1.00 47.92 ? 41 SER A O 1 ATOM 297 C CB . SER A 1 41 ? 15.537 -12.167 17.646 1.00 47.26 ? 41 SER A CB 1 ATOM 298 O OG . SER A 1 41 ? 15.373 -13.143 16.638 1.00 50.48 ? 41 SER A OG 1 ATOM 299 N N . ASN A 1 42 ? 12.427 -13.343 17.722 1.00 47.76 ? 42 ASN A N 1 ATOM 300 C CA . ASN A 1 42 ? 11.646 -14.553 17.935 1.00 47.58 ? 42 ASN A CA 1 ATOM 301 C C . ASN A 1 42 ? 12.580 -15.742 18.173 1.00 48.19 ? 42 ASN A C 1 ATOM 302 O O . ASN A 1 42 ? 12.201 -16.715 18.844 1.00 49.06 ? 42 ASN A O 1 ATOM 303 C CB . ASN A 1 42 ? 10.724 -14.814 16.747 1.00 47.14 ? 42 ASN A CB 1 ATOM 304 C CG . ASN A 1 42 ? 9.739 -15.942 17.001 1.00 47.83 ? 42 ASN A CG 1 ATOM 305 O OD1 . ASN A 1 42 ? 8.609 -15.707 17.447 1.00 47.12 ? 42 ASN A OD1 1 ATOM 306 N ND2 . ASN A 1 42 ? 10.171 -17.183 16.721 1.00 49.89 ? 42 ASN A ND2 1 ATOM 307 N N . ASP A 1 43 ? 13.795 -15.668 17.618 1.00 47.98 ? 43 ASP A N 1 ATOM 308 C CA . ASP A 1 43 ? 14.775 -16.760 17.717 1.00 47.93 ? 43 ASP A CA 1 ATOM 309 C C . ASP A 1 43 ? 15.414 -16.785 19.111 1.00 46.89 ? 43 ASP A C 1 ATOM 310 O O . ASP A 1 43 ? 16.154 -17.705 19.452 1.00 46.73 ? 43 ASP A O 1 ATOM 311 C CB . ASP A 1 43 ? 15.883 -16.647 16.637 1.00 48.53 ? 43 ASP A CB 1 ATOM 312 C CG . ASP A 1 43 ? 15.341 -16.341 15.204 1.00 51.68 ? 43 ASP A CG 1 ATOM 313 O OD1 . ASP A 1 43 ? 14.293 -16.896 14.755 1.00 51.26 ? 43 ASP A OD1 1 ATOM 314 O OD2 . ASP A 1 43 ? 16.006 -15.525 14.512 1.00 54.44 ? 43 ASP A OD2 1 ATOM 315 N N . SER A 1 44 ? 15.111 -15.781 19.923 1.00 45.88 ? 44 SER A N 1 ATOM 316 C CA . SER A 1 44 ? 15.867 -15.552 21.142 1.00 45.20 ? 44 SER A CA 1 ATOM 317 C C . SER A 1 44 ? 15.013 -15.689 22.383 1.00 44.77 ? 44 SER A C 1 ATOM 318 O O . SER A 1 44 ? 13.879 -15.253 22.407 1.00 45.06 ? 44 SER A O 1 ATOM 319 C CB . SER A 1 44 ? 16.488 -14.169 21.105 1.00 45.20 ? 44 SER A CB 1 ATOM 320 O OG . SER A 1 44 ? 17.364 -14.038 22.186 1.00 46.40 ? 44 SER A OG 1 ATOM 321 N N . ALA A 1 45 ? 15.575 -16.297 23.416 1.00 44.36 ? 45 ALA A N 1 ATOM 322 C CA . ALA A 1 45 ? 14.871 -16.556 24.666 1.00 43.96 ? 45 ALA A CA 1 ATOM 323 C C . ALA A 1 45 ? 14.731 -15.271 25.488 1.00 43.81 ? 45 ALA A C 1 ATOM 324 O O . ALA A 1 45 ? 13.687 -14.986 26.084 1.00 42.96 ? 45 ALA A O 1 ATOM 325 C CB . ALA A 1 45 ? 15.609 -17.658 25.477 1.00 43.47 ? 45 ALA A CB 1 ATOM 326 N N . THR A 1 46 ? 15.802 -14.489 25.482 1.00 44.33 ? 46 THR A N 1 ATOM 327 C CA . THR A 1 46 ? 15.940 -13.337 26.365 1.00 44.30 ? 46 THR A CA 1 ATOM 328 C C . THR A 1 46 ? 15.987 -12.040 25.571 1.00 44.39 ? 46 THR A C 1 ATOM 329 O O . THR A 1 46 ? 16.336 -12.029 24.385 1.00 44.64 ? 46 THR A O 1 ATOM 330 C CB . THR A 1 46 ? 17.206 -13.486 27.221 1.00 44.15 ? 46 THR A CB 1 ATOM 331 O OG1 . THR A 1 46 ? 18.326 -13.720 26.360 1.00 45.15 ? 46 THR A OG1 1 ATOM 332 C CG2 . THR A 1 46 ? 17.057 -14.669 28.177 1.00 43.74 ? 46 THR A CG2 1 ATOM 333 N N . ILE A 1 47 ? 15.588 -10.953 26.216 1.00 44.37 ? 47 ILE A N 1 ATOM 334 C CA . ILE A 1 47 ? 15.701 -9.633 25.633 1.00 44.21 ? 47 ILE A CA 1 ATOM 335 C C . ILE A 1 47 ? 17.187 -9.241 25.545 1.00 44.81 ? 47 ILE A C 1 ATOM 336 O O . ILE A 1 47 ? 17.947 -9.405 26.530 1.00 44.71 ? 47 ILE A O 1 ATOM 337 C CB . ILE A 1 47 ? 14.938 -8.609 26.470 1.00 43.90 ? 47 ILE A CB 1 ATOM 338 C CG1 . ILE A 1 47 ? 13.444 -8.876 26.354 1.00 44.29 ? 47 ILE A CG1 1 ATOM 339 C CG2 . ILE A 1 47 ? 15.264 -7.189 26.010 1.00 43.32 ? 47 ILE A CG2 1 ATOM 340 C CD1 . ILE A 1 47 ? 12.622 -8.471 27.569 1.00 44.73 ? 47 ILE A CD1 1 ATOM 341 N N . SER A 1 48 ? 17.586 -8.748 24.366 1.00 44.86 ? 48 SER A N 1 ATOM 342 C CA . SER A 1 48 ? 18.943 -8.252 24.123 1.00 45.47 ? 48 SER A CA 1 ATOM 343 C C . SER A 1 48 ? 19.093 -6.737 24.293 1.00 45.47 ? 48 SER A C 1 ATOM 344 O O . SER A 1 48 ? 18.221 -5.978 23.881 1.00 46.19 ? 48 SER A O 1 ATOM 345 C CB . SER A 1 48 ? 19.389 -8.646 22.725 1.00 45.09 ? 48 SER A CB 1 ATOM 346 O OG . SER A 1 48 ? 19.329 -10.053 22.604 1.00 46.13 ? 48 SER A OG 1 ATOM 347 N N . PHE A 1 49 ? 20.212 -6.315 24.882 1.00 45.28 ? 49 PHE A N 1 ATOM 348 C CA . PHE A 1 49 ? 20.540 -4.895 25.065 1.00 44.59 ? 49 PHE A CA 1 ATOM 349 C C . PHE A 1 49 ? 21.257 -4.368 23.842 1.00 44.42 ? 49 PHE A C 1 ATOM 350 O O . PHE A 1 49 ? 22.174 -5.036 23.317 1.00 45.40 ? 49 PHE A O 1 ATOM 351 C CB . PHE A 1 49 ? 21.462 -4.693 26.287 1.00 44.60 ? 49 PHE A CB 1 ATOM 352 C CG . PHE A 1 49 ? 20.875 -5.176 27.604 1.00 43.30 ? 49 PHE A CG 1 ATOM 353 C CD1 . PHE A 1 49 ? 19.528 -5.441 27.735 1.00 41.96 ? 49 PHE A CD1 1 ATOM 354 C CD2 . PHE A 1 49 ? 21.700 -5.334 28.727 1.00 44.88 ? 49 PHE A CD2 1 ATOM 355 C CE1 . PHE A 1 49 ? 19.013 -5.886 28.950 1.00 44.56 ? 49 PHE A CE1 1 ATOM 356 C CE2 . PHE A 1 49 ? 21.207 -5.770 29.952 1.00 43.02 ? 49 PHE A CE2 1 ATOM 357 C CZ . PHE A 1 49 ? 19.865 -6.046 30.075 1.00 44.83 ? 49 PHE A CZ 1 ATOM 358 N N . THR A 1 50 ? 20.867 -3.180 23.381 1.00 43.26 ? 50 THR A N 1 ATOM 359 C CA . THR A 1 50 ? 21.580 -2.548 22.267 1.00 42.29 ? 50 THR A CA 1 ATOM 360 C C . THR A 1 50 ? 22.291 -1.264 22.709 1.00 42.12 ? 50 THR A C 1 ATOM 361 O O . THR A 1 50 ? 22.678 -0.401 21.888 1.00 41.77 ? 50 THR A O 1 ATOM 362 C CB . THR A 1 50 ? 20.651 -2.243 21.126 1.00 42.26 ? 50 THR A CB 1 ATOM 363 O OG1 . THR A 1 50 ? 19.677 -1.295 21.564 1.00 41.74 ? 50 THR A OG1 1 ATOM 364 C CG2 . THR A 1 50 ? 19.981 -3.511 20.650 1.00 42.34 ? 50 THR A CG2 1 ATOM 365 N N . LYS A 1 51 ? 22.455 -1.156 24.025 1.00 41.12 ? 51 LYS A N 1 ATOM 366 C CA . LYS A 1 51 ? 23.113 -0.035 24.644 1.00 40.39 ? 51 LYS A CA 1 ATOM 367 C C . LYS A 1 51 ? 23.791 -0.528 25.926 1.00 39.79 ? 51 LYS A C 1 ATOM 368 O O . LYS A 1 51 ? 23.349 -1.507 26.513 1.00 40.48 ? 51 LYS A O 1 ATOM 369 C CB . LYS A 1 51 ? 22.106 1.085 24.903 1.00 40.14 ? 51 LYS A CB 1 ATOM 370 C CG . LYS A 1 51 ? 21.803 1.933 23.668 1.00 40.72 ? 51 LYS A CG 1 ATOM 371 C CD . LYS A 1 51 ? 23.062 2.566 23.081 1.00 42.22 ? 51 LYS A CD 1 ATOM 372 C CE . LYS A 1 51 ? 22.812 3.315 21.770 1.00 42.49 ? 51 LYS A CE 1 ATOM 373 N NZ . LYS A 1 51 ? 21.814 2.673 20.860 1.00 41.46 ? 51 LYS A NZ 1 ATOM 374 N N . PRO A 1 52 ? 24.882 0.119 26.352 1.00 38.81 ? 52 PRO A N 1 ATOM 375 C CA . PRO A 1 52 ? 25.448 -0.311 27.635 1.00 38.21 ? 52 PRO A CA 1 ATOM 376 C C . PRO A 1 52 ? 24.507 -0.069 28.801 1.00 37.96 ? 52 PRO A C 1 ATOM 377 O O . PRO A 1 52 ? 24.695 -0.654 29.860 1.00 37.76 ? 52 PRO A O 1 ATOM 378 C CB . PRO A 1 52 ? 26.695 0.565 27.790 1.00 38.12 ? 52 PRO A CB 1 ATOM 379 C CG . PRO A 1 52 ? 26.977 1.099 26.385 1.00 38.63 ? 52 PRO A CG 1 ATOM 380 C CD . PRO A 1 52 ? 25.652 1.207 25.720 1.00 38.67 ? 52 PRO A CD 1 ATOM 381 N N . TRP A 1 53 ? 23.485 0.764 28.595 1.00 37.93 ? 53 TRP A N 1 ATOM 382 C CA . TRP A 1 53 ? 22.630 1.271 29.679 1.00 37.67 ? 53 TRP A CA 1 ATOM 383 C C . TRP A 1 53 ? 21.216 0.706 29.621 1.00 37.64 ? 53 TRP A C 1 ATOM 384 O O . TRP A 1 53 ? 20.320 1.095 30.393 1.00 36.86 ? 53 TRP A O 1 ATOM 385 C CB . TRP A 1 53 ? 22.607 2.831 29.704 1.00 38.12 ? 53 TRP A CB 1 ATOM 386 C CG . TRP A 1 53 ? 22.584 3.541 28.336 1.00 37.67 ? 53 TRP A CG 1 ATOM 387 C CD1 . TRP A 1 53 ? 23.683 3.914 27.585 1.00 38.11 ? 53 TRP A CD1 1 ATOM 388 C CD2 . TRP A 1 53 ? 21.433 3.973 27.592 1.00 36.70 ? 53 TRP A CD2 1 ATOM 389 N NE1 . TRP A 1 53 ? 23.278 4.519 26.406 1.00 38.98 ? 53 TRP A NE1 1 ATOM 390 C CE2 . TRP A 1 53 ? 21.909 4.587 26.390 1.00 39.38 ? 53 TRP A CE2 1 ATOM 391 C CE3 . TRP A 1 53 ? 20.058 3.922 27.814 1.00 36.88 ? 53 TRP A CE3 1 ATOM 392 C CZ2 . TRP A 1 53 ? 21.039 5.127 25.418 1.00 37.91 ? 53 TRP A CZ2 1 ATOM 393 C CZ3 . TRP A 1 53 ? 19.189 4.451 26.827 1.00 37.15 ? 53 TRP A CZ3 1 ATOM 394 C CH2 . TRP A 1 53 ? 19.686 5.040 25.655 1.00 37.09 ? 53 TRP A CH2 1 ATOM 395 N N . SER A 1 54 ? 21.016 -0.238 28.712 1.00 37.94 ? 54 SER A N 1 ATOM 396 C CA . SER A 1 54 ? 19.672 -0.766 28.439 1.00 38.02 ? 54 SER A CA 1 ATOM 397 C C . SER A 1 54 ? 18.911 -1.377 29.655 1.00 38.34 ? 54 SER A C 1 ATOM 398 O O . SER A 1 54 ? 17.709 -1.600 29.557 1.00 38.96 ? 54 SER A O 1 ATOM 399 C CB . SER A 1 54 ? 19.741 -1.779 27.299 1.00 37.63 ? 54 SER A CB 1 ATOM 400 O OG . SER A 1 54 ? 20.482 -1.293 26.200 1.00 37.11 ? 54 SER A OG 1 ATOM 401 N N . GLN A 1 55 ? 19.598 -1.671 30.761 1.00 38.20 ? 55 GLN A N 1 ATOM 402 C CA . GLN A 1 55 ? 18.950 -2.196 31.986 1.00 38.66 ? 55 GLN A CA 1 ATOM 403 C C . GLN A 1 55 ? 18.452 -1.043 32.894 1.00 39.47 ? 55 GLN A C 1 ATOM 404 O O . GLN A 1 55 ? 17.629 -1.245 33.800 1.00 38.65 ? 55 GLN A O 1 ATOM 405 C CB . GLN A 1 55 ? 19.923 -3.090 32.746 1.00 37.81 ? 55 GLN A CB 1 ATOM 406 C CG . GLN A 1 55 ? 19.278 -4.132 33.634 1.00 38.85 ? 55 GLN A CG 1 ATOM 407 C CD . GLN A 1 55 ? 20.292 -5.000 34.420 1.00 38.98 ? 55 GLN A CD 1 ATOM 408 O OE1 . GLN A 1 55 ? 21.118 -5.729 33.839 1.00 39.98 ? 55 GLN A OE1 1 ATOM 409 N NE2 . GLN A 1 55 ? 20.212 -4.935 35.740 1.00 35.66 ? 55 GLN A NE2 1 ATOM 410 N N . GLY A 1 56 ? 18.964 0.167 32.627 1.00 40.49 ? 56 GLY A N 1 ATOM 411 C CA . GLY A 1 56 ? 18.568 1.382 33.351 1.00 41.50 ? 56 GLY A CA 1 ATOM 412 C C . GLY A 1 56 ? 18.984 1.264 34.801 1.00 42.30 ? 56 GLY A C 1 ATOM 413 O O . GLY A 1 56 ? 20.082 0.806 35.084 1.00 43.14 ? 56 GLY A O 1 ATOM 414 N N . LYS A 1 57 ? 18.132 1.655 35.738 1.00 42.58 ? 57 LYS A N 1 ATOM 415 C CA . LYS A 1 57 ? 18.599 1.645 37.132 1.00 43.00 ? 57 LYS A CA 1 ATOM 416 C C . LYS A 1 57 ? 18.240 0.370 37.853 1.00 42.43 ? 57 LYS A C 1 ATOM 417 O O . LYS A 1 57 ? 18.689 0.141 38.946 1.00 42.33 ? 57 LYS A O 1 ATOM 418 C CB . LYS A 1 57 ? 18.188 2.914 37.907 1.00 43.14 ? 57 LYS A CB 1 ATOM 419 C CG . LYS A 1 57 ? 19.137 4.096 37.624 1.00 44.44 ? 57 LYS A CG 1 ATOM 420 C CD . LYS A 1 57 ? 20.427 4.013 38.459 1.00 48.19 ? 57 LYS A CD 1 ATOM 421 C CE . LYS A 1 57 ? 21.672 4.598 37.726 1.00 48.82 ? 57 LYS A CE 1 ATOM 422 N NZ . LYS A 1 57 ? 22.701 3.633 37.119 1.00 47.59 ? 57 LYS A NZ 1 ATOM 423 N N . LEU A 1 58 ? 17.488 -0.491 37.188 1.00 42.54 ? 58 LEU A N 1 ATOM 424 C CA . LEU A 1 58 ? 17.089 -1.754 37.763 1.00 42.92 ? 58 LEU A CA 1 ATOM 425 C C . LEU A 1 58 ? 18.244 -2.714 38.111 1.00 43.27 ? 58 LEU A C 1 ATOM 426 O O . LEU A 1 58 ? 19.198 -2.864 37.373 1.00 43.51 ? 58 LEU A O 1 ATOM 427 C CB . LEU A 1 58 ? 16.140 -2.484 36.814 1.00 42.66 ? 58 LEU A CB 1 ATOM 428 C CG . LEU A 1 58 ? 14.995 -1.824 36.053 1.00 42.81 ? 58 LEU A CG 1 ATOM 429 C CD1 . LEU A 1 58 ? 14.410 -2.898 35.097 1.00 41.21 ? 58 LEU A CD1 1 ATOM 430 C CD2 . LEU A 1 58 ? 13.910 -1.127 36.938 1.00 38.31 ? 58 LEU A CD2 1 ATOM 431 N N . SER A 1 59 ? 18.098 -3.387 39.241 1.00 44.05 ? 59 SER A N 1 ATOM 432 C CA . SER A 1 59 ? 18.921 -4.523 39.618 1.00 44.33 ? 59 SER A CA 1 ATOM 433 C C . SER A 1 59 ? 18.679 -5.705 38.680 1.00 45.10 ? 59 SER A C 1 ATOM 434 O O . SER A 1 59 ? 17.727 -5.727 37.877 1.00 44.72 ? 59 SER A O 1 ATOM 435 C CB . SER A 1 59 ? 18.599 -4.956 41.065 1.00 44.08 ? 59 SER A CB 1 ATOM 436 O OG . SER A 1 59 ? 17.251 -5.402 41.195 1.00 41.87 ? 59 SER A OG 1 ATOM 437 N N . ASN A 1 60 ? 19.552 -6.696 38.807 1.00 45.95 ? 60 ASN A N 1 ATOM 438 C CA . ASN A 1 60 ? 19.439 -7.923 38.051 1.00 46.66 ? 60 ASN A CA 1 ATOM 439 C C . ASN A 1 60 ? 18.177 -8.710 38.416 1.00 47.57 ? 60 ASN A C 1 ATOM 440 O O . ASN A 1 60 ? 17.639 -9.435 37.578 1.00 47.82 ? 60 ASN A O 1 ATOM 441 C CB . ASN A 1 60 ? 20.690 -8.774 38.275 1.00 46.44 ? 60 ASN A CB 1 ATOM 442 C CG . ASN A 1 60 ? 21.912 -8.226 37.565 1.00 44.88 ? 60 ASN A CG 1 ATOM 443 O OD1 . ASN A 1 60 ? 21.846 -7.237 36.828 1.00 44.35 ? 60 ASN A OD1 1 ATOM 444 N ND2 . ASN A 1 60 ? 23.028 -8.888 37.758 1.00 41.70 ? 60 ASN A ND2 1 ATOM 445 N N . GLN A 1 61 ? 17.716 -8.554 39.660 1.00 48.38 ? 61 GLN A N 1 ATOM 446 C CA . GLN A 1 61 ? 16.566 -9.299 40.178 1.00 49.29 ? 61 GLN A CA 1 ATOM 447 C C . GLN A 1 61 ? 15.320 -8.703 39.536 1.00 49.25 ? 61 GLN A C 1 ATOM 448 O O . GLN A 1 61 ? 14.473 -9.422 39.026 1.00 49.08 ? 61 GLN A O 1 ATOM 449 C CB . GLN A 1 61 ? 16.528 -9.226 41.718 1.00 49.56 ? 61 GLN A CB 1 ATOM 450 C CG . GLN A 1 61 ? 15.326 -9.902 42.426 1.00 51.93 ? 61 GLN A CG 1 ATOM 451 C CD . GLN A 1 61 ? 14.199 -8.915 42.881 1.00 54.60 ? 61 GLN A CD 1 ATOM 452 O OE1 . GLN A 1 61 ? 13.409 -8.401 42.060 1.00 52.65 ? 61 GLN A OE1 1 ATOM 453 N NE2 . GLN A 1 61 ? 14.117 -8.683 44.205 1.00 54.56 ? 61 GLN A NE2 1 ATOM 454 N N . GLN A 1 62 ? 15.252 -7.378 39.526 1.00 49.34 ? 62 GLN A N 1 ATOM 455 C CA . GLN A 1 62 ? 14.116 -6.681 38.975 1.00 49.80 ? 62 GLN A CA 1 ATOM 456 C C . GLN A 1 62 ? 14.049 -6.900 37.485 1.00 49.30 ? 62 GLN A C 1 ATOM 457 O O . GLN A 1 62 ? 12.970 -7.119 36.953 1.00 49.46 ? 62 GLN A O 1 ATOM 458 C CB . GLN A 1 62 ? 14.208 -5.182 39.241 1.00 49.92 ? 62 GLN A CB 1 ATOM 459 C CG . GLN A 1 62 ? 14.049 -4.740 40.698 1.00 51.28 ? 62 GLN A CG 1 ATOM 460 C CD . GLN A 1 62 ? 14.528 -3.290 40.896 1.00 51.62 ? 62 GLN A CD 1 ATOM 461 O OE1 . GLN A 1 62 ? 13.722 -2.392 41.161 1.00 53.24 ? 62 GLN A OE1 1 ATOM 462 N NE2 . GLN A 1 62 ? 15.841 -3.058 40.731 1.00 50.18 ? 62 GLN A NE2 1 ATOM 463 N N . TRP A 1 63 ? 15.203 -6.814 36.817 1.00 49.17 ? 63 TRP A N 1 ATOM 464 C CA . TRP A 1 63 ? 15.283 -6.988 35.362 1.00 48.59 ? 63 TRP A CA 1 ATOM 465 C C . TRP A 1 63 ? 14.838 -8.368 34.891 1.00 49.25 ? 63 TRP A C 1 ATOM 466 O O . TRP A 1 63 ? 14.041 -8.452 33.967 1.00 48.93 ? 63 TRP A O 1 ATOM 467 C CB . TRP A 1 63 ? 16.668 -6.629 34.777 1.00 47.51 ? 63 TRP A CB 1 ATOM 468 C CG . TRP A 1 63 ? 16.700 -6.943 33.317 1.00 46.12 ? 63 TRP A CG 1 ATOM 469 C CD1 . TRP A 1 63 ? 17.264 -8.037 32.726 1.00 45.02 ? 63 TRP A CD1 1 ATOM 470 C CD2 . TRP A 1 63 ? 16.044 -6.219 32.275 1.00 44.86 ? 63 TRP A CD2 1 ATOM 471 N NE1 . TRP A 1 63 ? 17.023 -8.023 31.377 1.00 44.18 ? 63 TRP A NE1 1 ATOM 472 C CE2 . TRP A 1 63 ? 16.271 -6.920 31.073 1.00 44.03 ? 63 TRP A CE2 1 ATOM 473 C CE3 . TRP A 1 63 ? 15.294 -5.035 32.236 1.00 45.84 ? 63 TRP A CE3 1 ATOM 474 C CZ2 . TRP A 1 63 ? 15.780 -6.475 29.841 1.00 43.75 ? 63 TRP A CZ2 1 ATOM 475 C CZ3 . TRP A 1 63 ? 14.810 -4.590 30.998 1.00 45.19 ? 63 TRP A CZ3 1 ATOM 476 C CH2 . TRP A 1 63 ? 15.061 -5.317 29.826 1.00 45.07 ? 63 TRP A CH2 1 ATOM 477 N N . GLU A 1 64 ? 15.349 -9.432 35.525 1.00 50.84 ? 64 GLU A N 1 ATOM 478 C CA . GLU A 1 64 ? 14.886 -10.823 35.284 1.00 52.48 ? 64 GLU A CA 1 ATOM 479 C C . GLU A 1 64 ? 13.384 -11.029 35.533 1.00 52.76 ? 64 GLU A C 1 ATOM 480 O O . GLU A 1 64 ? 12.729 -11.806 34.815 1.00 52.89 ? 64 GLU A O 1 ATOM 481 C CB . GLU A 1 64 ? 15.653 -11.851 36.126 1.00 52.60 ? 64 GLU A CB 1 ATOM 482 C CG . GLU A 1 64 ? 16.756 -12.593 35.391 1.00 56.09 ? 64 GLU A CG 1 ATOM 483 C CD . GLU A 1 64 ? 18.161 -12.074 35.747 1.00 61.66 ? 64 GLU A CD 1 ATOM 484 O OE1 . GLU A 1 64 ? 18.886 -12.787 36.503 1.00 63.30 ? 64 GLU A OE1 1 ATOM 485 O OE2 . GLU A 1 64 ? 18.536 -10.955 35.290 1.00 62.94 ? 64 GLU A OE2 1 ATOM 486 N N . LYS A 1 65 ? 12.854 -10.355 36.557 1.00 52.79 ? 65 LYS A N 1 ATOM 487 C CA . LYS A 1 65 ? 11.458 -10.522 36.918 1.00 52.95 ? 65 LYS A CA 1 ATOM 488 C C . LYS A 1 65 ? 10.685 -9.936 35.789 1.00 52.34 ? 65 LYS A C 1 ATOM 489 O O . LYS A 1 65 ? 9.743 -10.532 35.308 1.00 52.83 ? 65 LYS A O 1 ATOM 490 C CB . LYS A 1 65 ? 11.100 -9.827 38.246 1.00 53.14 ? 65 LYS A CB 1 ATOM 491 C CG . LYS A 1 65 ? 9.673 -10.096 38.715 1.00 53.50 ? 65 LYS A CG 1 ATOM 492 C CD . LYS A 1 65 ? 9.364 -9.428 40.040 1.00 53.86 ? 65 LYS A CD 1 ATOM 493 C CE . LYS A 1 65 ? 9.099 -10.453 41.138 1.00 56.85 ? 65 LYS A CE 1 ATOM 494 N NZ . LYS A 1 65 ? 10.325 -11.176 41.624 1.00 56.98 ? 65 LYS A NZ 1 ATOM 495 N N . LEU A 1 66 ? 11.119 -8.775 35.335 1.00 52.20 ? 66 LEU A N 1 ATOM 496 C CA . LEU A 1 66 ? 10.411 -8.054 34.291 1.00 51.90 ? 66 LEU A CA 1 ATOM 497 C C . LEU A 1 66 ? 10.567 -8.767 32.961 1.00 51.42 ? 66 LEU A C 1 ATOM 498 O O . LEU A 1 66 ? 9.644 -8.773 32.145 1.00 51.09 ? 66 LEU A O 1 ATOM 499 C CB . LEU A 1 66 ? 10.909 -6.612 34.209 1.00 51.93 ? 66 LEU A CB 1 ATOM 500 C CG . LEU A 1 66 ? 10.276 -5.720 33.137 1.00 52.83 ? 66 LEU A CG 1 ATOM 501 C CD1 . LEU A 1 66 ? 8.789 -5.496 33.379 1.00 50.71 ? 66 LEU A CD1 1 ATOM 502 C CD2 . LEU A 1 66 ? 11.040 -4.400 33.066 1.00 52.46 ? 66 LEU A CD2 1 ATOM 503 N N . GLN A 1 67 ? 11.733 -9.383 32.757 1.00 51.05 ? 67 GLN A N 1 ATOM 504 C CA . GLN A 1 67 ? 11.984 -10.162 31.541 1.00 50.68 ? 67 GLN A CA 1 ATOM 505 C C . GLN A 1 67 ? 11.129 -11.424 31.560 1.00 50.11 ? 67 GLN A C 1 ATOM 506 O O . GLN A 1 67 ? 10.701 -11.902 30.506 1.00 49.70 ? 67 GLN A O 1 ATOM 507 C CB . GLN A 1 67 ? 13.469 -10.501 31.370 1.00 49.81 ? 67 GLN A CB 1 ATOM 508 C CG . GLN A 1 67 ? 13.737 -11.444 30.207 1.00 51.03 ? 67 GLN A CG 1 ATOM 509 C CD . GLN A 1 67 ? 15.214 -11.799 30.013 1.00 51.93 ? 67 GLN A CD 1 ATOM 510 O OE1 . GLN A 1 67 ? 15.839 -11.338 29.054 1.00 53.98 ? 67 GLN A OE1 1 ATOM 511 N NE2 . GLN A 1 67 ? 15.778 -12.610 30.921 1.00 51.89 ? 67 GLN A NE2 1 ATOM 512 N N . HIS A 1 68 ? 10.857 -11.945 32.756 1.00 49.98 ? 68 HIS A N 1 ATOM 513 C CA . HIS A 1 68 ? 10.057 -13.153 32.860 1.00 50.03 ? 68 HIS A CA 1 ATOM 514 C C . HIS A 1 68 ? 8.618 -12.914 32.461 1.00 50.17 ? 68 HIS A C 1 ATOM 515 O O . HIS A 1 68 ? 8.022 -13.714 31.732 1.00 50.55 ? 68 HIS A O 1 ATOM 516 C CB . HIS A 1 68 ? 10.120 -13.802 34.244 1.00 50.27 ? 68 HIS A CB 1 ATOM 517 C CG . HIS A 1 68 ? 9.633 -15.217 34.240 1.00 50.45 ? 68 HIS A CG 1 ATOM 518 N ND1 . HIS A 1 68 ? 8.403 -15.585 34.748 1.00 49.86 ? 68 HIS A ND1 1 ATOM 519 C CD2 . HIS A 1 68 ? 10.178 -16.341 33.714 1.00 50.24 ? 68 HIS A CD2 1 ATOM 520 C CE1 . HIS A 1 68 ? 8.227 -16.882 34.568 1.00 49.83 ? 68 HIS A CE1 1 ATOM 521 N NE2 . HIS A 1 68 ? 9.288 -17.362 33.939 1.00 50.91 ? 68 HIS A NE2 1 ATOM 522 N N . MET A 1 69 ? 8.067 -11.796 32.907 1.00 50.09 ? 69 MET A N 1 ATOM 523 C CA . MET A 1 69 ? 6.680 -11.491 32.624 1.00 50.07 ? 69 MET A CA 1 ATOM 524 C C . MET A 1 69 ? 6.420 -11.271 31.127 1.00 49.48 ? 69 MET A C 1 ATOM 525 O O . MET A 1 69 ? 5.338 -11.647 30.629 1.00 49.47 ? 69 MET A O 1 ATOM 526 C CB . MET A 1 69 ? 6.217 -10.328 33.483 1.00 50.56 ? 69 MET A CB 1 ATOM 527 C CG . MET A 1 69 ? 4.855 -9.792 33.135 1.00 53.85 ? 69 MET A CG 1 ATOM 528 S SD . MET A 1 69 ? 5.075 -8.008 32.896 1.00 63.92 ? 69 MET A SD 1 ATOM 529 C CE . MET A 1 69 ? 5.761 -7.613 34.546 1.00 64.66 ? 69 MET A CE 1 ATOM 530 N N . PHE A 1 70 ? 7.409 -10.697 30.420 1.00 48.56 ? 70 PHE A N 1 ATOM 531 C CA . PHE A 1 70 ? 7.375 -10.552 28.946 1.00 47.33 ? 70 PHE A CA 1 ATOM 532 C C . PHE A 1 70 ? 7.563 -11.871 28.214 1.00 46.84 ? 70 PHE A C 1 ATOM 533 O O . PHE A 1 70 ? 7.020 -12.043 27.130 1.00 46.93 ? 70 PHE A O 1 ATOM 534 C CB . PHE A 1 70 ? 8.416 -9.543 28.443 1.00 47.63 ? 70 PHE A CB 1 ATOM 535 C CG . PHE A 1 70 ? 8.047 -8.108 28.702 1.00 48.31 ? 70 PHE A CG 1 ATOM 536 C CD1 . PHE A 1 70 ? 6.940 -7.524 28.059 1.00 50.47 ? 70 PHE A CD1 1 ATOM 537 C CD2 . PHE A 1 70 ? 8.790 -7.335 29.581 1.00 48.50 ? 70 PHE A CD2 1 ATOM 538 C CE1 . PHE A 1 70 ? 6.565 -6.188 28.293 1.00 49.86 ? 70 PHE A CE1 1 ATOM 539 C CE2 . PHE A 1 70 ? 8.437 -6.000 29.822 1.00 51.33 ? 70 PHE A CE2 1 ATOM 540 C CZ . PHE A 1 70 ? 7.300 -5.425 29.173 1.00 50.57 ? 70 PHE A CZ 1 ATOM 541 N N . GLN A 1 71 ? 8.318 -12.800 28.809 1.00 46.04 ? 71 GLN A N 1 ATOM 542 C CA . GLN A 1 71 ? 8.486 -14.155 28.261 1.00 45.29 ? 71 GLN A CA 1 ATOM 543 C C . GLN A 1 71 ? 7.216 -15.012 28.267 1.00 45.31 ? 71 GLN A C 1 ATOM 544 O O . GLN A 1 71 ? 6.866 -15.599 27.234 1.00 46.26 ? 71 GLN A O 1 ATOM 545 C CB . GLN A 1 71 ? 9.613 -14.888 28.962 1.00 44.83 ? 71 GLN A CB 1 ATOM 546 C CG . GLN A 1 71 ? 10.948 -14.352 28.586 1.00 43.54 ? 71 GLN A CG 1 ATOM 547 C CD . GLN A 1 71 ? 12.044 -14.980 29.361 1.00 43.57 ? 71 GLN A CD 1 ATOM 548 O OE1 . GLN A 1 71 ? 11.948 -15.142 30.576 1.00 44.85 ? 71 GLN A OE1 1 ATOM 549 N NE2 . GLN A 1 71 ? 13.115 -15.333 28.676 1.00 44.45 ? 71 GLN A NE2 1 ATOM 550 N N . VAL A 1 72 ? 6.540 -15.096 29.416 1.00 44.31 ? 72 VAL A N 1 ATOM 551 C CA . VAL A 1 72 ? 5.151 -15.600 29.496 1.00 42.87 ? 72 VAL A CA 1 ATOM 552 C C . VAL A 1 72 ? 4.176 -14.835 28.577 1.00 42.15 ? 72 VAL A C 1 ATOM 553 O O . VAL A 1 72 ? 3.239 -15.402 28.038 1.00 42.22 ? 72 VAL A O 1 ATOM 554 C CB . VAL A 1 72 ? 4.607 -15.531 30.963 1.00 43.25 ? 72 VAL A CB 1 ATOM 555 C CG1 . VAL A 1 72 ? 3.073 -15.815 31.020 1.00 42.45 ? 72 VAL A CG1 1 ATOM 556 C CG2 . VAL A 1 72 ? 5.396 -16.481 31.881 1.00 42.09 ? 72 VAL A CG2 1 ATOM 557 N N . TYR A 1 73 ? 4.372 -13.540 28.411 1.00 41.55 ? 73 TYR A N 1 ATOM 558 C CA . TYR A 1 73 ? 3.468 -12.785 27.542 1.00 41.47 ? 73 TYR A CA 1 ATOM 559 C C . TYR A 1 73 ? 3.635 -13.141 26.049 1.00 41.02 ? 73 TYR A C 1 ATOM 560 O O . TYR A 1 73 ? 2.653 -13.371 25.357 1.00 40.21 ? 73 TYR A O 1 ATOM 561 C CB . TYR A 1 73 ? 3.607 -11.283 27.764 1.00 41.44 ? 73 TYR A CB 1 ATOM 562 C CG . TYR A 1 73 ? 3.144 -10.483 26.601 1.00 40.81 ? 73 TYR A CG 1 ATOM 563 C CD1 . TYR A 1 73 ? 1.789 -10.283 26.377 1.00 42.85 ? 73 TYR A CD1 1 ATOM 564 C CD2 . TYR A 1 73 ? 4.055 -9.928 25.705 1.00 41.62 ? 73 TYR A CD2 1 ATOM 565 C CE1 . TYR A 1 73 ? 1.334 -9.531 25.279 1.00 42.96 ? 73 TYR A CE1 1 ATOM 566 C CE2 . TYR A 1 73 ? 3.626 -9.200 24.591 1.00 40.92 ? 73 TYR A CE2 1 ATOM 567 C CZ . TYR A 1 73 ? 2.263 -9.006 24.391 1.00 43.11 ? 73 TYR A CZ 1 ATOM 568 O OH . TYR A 1 73 ? 1.801 -8.277 23.326 1.00 43.78 ? 73 TYR A OH 1 ATOM 569 N N . ARG A 1 74 ? 4.876 -13.194 25.568 1.00 40.76 ? 74 ARG A N 1 ATOM 570 C CA . ARG A 1 74 ? 5.126 -13.558 24.187 1.00 40.64 ? 74 ARG A CA 1 ATOM 571 C C . ARG A 1 74 ? 4.502 -14.911 23.847 1.00 40.79 ? 74 ARG A C 1 ATOM 572 O O . ARG A 1 74 ? 3.920 -15.040 22.766 1.00 40.95 ? 74 ARG A O 1 ATOM 573 C CB . ARG A 1 74 ? 6.618 -13.522 23.856 1.00 40.67 ? 74 ARG A CB 1 ATOM 574 C CG . ARG A 1 74 ? 6.935 -13.918 22.433 1.00 41.80 ? 74 ARG A CG 1 ATOM 575 C CD . ARG A 1 74 ? 8.344 -13.509 22.029 1.00 44.84 ? 74 ARG A CD 1 ATOM 576 N NE . ARG A 1 74 ? 9.344 -14.410 22.611 1.00 46.96 ? 74 ARG A NE 1 ATOM 577 C CZ . ARG A 1 74 ? 10.615 -14.523 22.214 1.00 45.98 ? 74 ARG A CZ 1 ATOM 578 N NH1 . ARG A 1 74 ? 11.084 -13.792 21.215 1.00 47.94 ? 74 ARG A NH1 1 ATOM 579 N NH2 . ARG A 1 74 ? 11.421 -15.375 22.828 1.00 44.01 ? 74 ARG A NH2 1 ATOM 580 N N . VAL A 1 75 ? 4.607 -15.894 24.755 1.00 40.13 ? 75 VAL A N 1 ATOM 581 C CA . VAL A 1 75 ? 3.984 -17.199 24.552 1.00 40.31 ? 75 VAL A CA 1 ATOM 582 C C . VAL A 1 75 ? 2.450 -17.149 24.573 1.00 40.69 ? 75 VAL A C 1 ATOM 583 O O . VAL A 1 75 ? 1.782 -17.670 23.676 1.00 41.37 ? 75 VAL A O 1 ATOM 584 C CB . VAL A 1 75 ? 4.481 -18.277 25.567 1.00 40.75 ? 75 VAL A CB 1 ATOM 585 C CG1 . VAL A 1 75 ? 3.938 -19.660 25.202 1.00 39.38 ? 75 VAL A CG1 1 ATOM 586 C CG2 . VAL A 1 75 ? 5.999 -18.345 25.590 1.00 40.79 ? 75 VAL A CG2 1 ATOM 587 N N . SER A 1 76 ? 1.890 -16.519 25.594 1.00 40.79 ? 76 SER A N 1 ATOM 588 C CA . SER A 1 76 ? 0.437 -16.432 25.751 1.00 40.16 ? 76 SER A CA 1 ATOM 589 C C . SER A 1 76 ? -0.262 -15.599 24.668 1.00 39.52 ? 76 SER A C 1 ATOM 590 O O . SER A 1 76 ? -1.339 -15.948 24.177 1.00 39.18 ? 76 SER A O 1 ATOM 591 C CB . SER A 1 76 ? 0.115 -15.928 27.153 1.00 39.98 ? 76 SER A CB 1 ATOM 592 O OG . SER A 1 76 ? 0.686 -16.834 28.098 1.00 40.46 ? 76 SER A OG 1 ATOM 593 N N . PHE A 1 77 ? 0.364 -14.511 24.280 1.00 39.30 ? 77 PHE A N 1 ATOM 594 C CA . PHE A 1 77 ? -0.153 -13.707 23.187 1.00 39.45 ? 77 PHE A CA 1 ATOM 595 C C . PHE A 1 77 ? -0.291 -14.572 21.944 1.00 39.77 ? 77 PHE A C 1 ATOM 596 O O . PHE A 1 77 ? -1.340 -14.563 21.297 1.00 40.23 ? 77 PHE A O 1 ATOM 597 C CB . PHE A 1 77 ? 0.775 -12.525 22.909 1.00 39.02 ? 77 PHE A CB 1 ATOM 598 C CG . PHE A 1 77 ? 0.430 -11.764 21.679 1.00 38.61 ? 77 PHE A CG 1 ATOM 599 C CD1 . PHE A 1 77 ? 1.012 -12.109 20.454 1.00 36.26 ? 77 PHE A CD1 1 ATOM 600 C CD2 . PHE A 1 77 ? -0.466 -10.673 21.747 1.00 37.92 ? 77 PHE A CD2 1 ATOM 601 C CE1 . PHE A 1 77 ? 0.683 -11.413 19.311 1.00 37.19 ? 77 PHE A CE1 1 ATOM 602 C CE2 . PHE A 1 77 ? -0.798 -9.938 20.596 1.00 36.87 ? 77 PHE A CE2 1 ATOM 603 C CZ . PHE A 1 77 ? -0.239 -10.307 19.380 1.00 37.83 ? 77 PHE A CZ 1 ATOM 604 N N . THR A 1 78 ? 0.756 -15.344 21.642 1.00 40.00 ? 78 THR A N 1 ATOM 605 C CA . THR A 1 78 ? 0.805 -16.147 20.436 1.00 39.52 ? 78 THR A CA 1 ATOM 606 C C . THR A 1 78 ? -0.387 -17.086 20.381 1.00 40.13 ? 78 THR A C 1 ATOM 607 O O . THR A 1 78 ? -1.111 -17.117 19.398 1.00 39.92 ? 78 THR A O 1 ATOM 608 C CB . THR A 1 78 ? 2.152 -16.877 20.290 1.00 39.23 ? 78 THR A CB 1 ATOM 609 O OG1 . THR A 1 78 ? 3.183 -15.901 20.077 1.00 38.75 ? 78 THR A OG1 1 ATOM 610 C CG2 . THR A 1 78 ? 2.135 -17.843 19.092 1.00 38.16 ? 78 THR A CG2 1 ATOM 611 N N . ARG A 1 79 ? -0.622 -17.823 21.450 1.00 40.89 ? 79 ARG A N 1 ATOM 612 C CA . ARG A 1 79 ? -1.637 -18.851 21.378 1.00 41.69 ? 79 ARG A CA 1 ATOM 613 C C . ARG A 1 79 ? -3.018 -18.320 21.650 1.00 41.36 ? 79 ARG A C 1 ATOM 614 O O . ARG A 1 79 ? -3.968 -18.992 21.352 1.00 40.99 ? 79 ARG A O 1 ATOM 615 C CB . ARG A 1 79 ? -1.309 -20.044 22.289 1.00 42.51 ? 79 ARG A CB 1 ATOM 616 C CG . ARG A 1 79 ? -1.293 -19.731 23.748 1.00 44.40 ? 79 ARG A CG 1 ATOM 617 C CD . ARG A 1 79 ? -2.121 -20.735 24.609 1.00 50.84 ? 79 ARG A CD 1 ATOM 618 N NE . ARG A 1 79 ? -2.751 -19.959 25.682 1.00 55.53 ? 79 ARG A NE 1 ATOM 619 C CZ . ARG A 1 79 ? -2.094 -19.457 26.734 1.00 56.83 ? 79 ARG A CZ 1 ATOM 620 N NH1 . ARG A 1 79 ? -0.796 -19.712 26.907 1.00 56.86 ? 79 ARG A NH1 1 ATOM 621 N NH2 . ARG A 1 79 ? -2.738 -18.721 27.630 1.00 56.63 ? 79 ARG A NH2 1 ATOM 622 N N . ASP A 1 80 ? -3.132 -17.123 22.228 1.00 42.15 ? 80 ASP A N 1 ATOM 623 C CA . ASP A 1 80 ? -4.452 -16.503 22.424 1.00 42.52 ? 80 ASP A CA 1 ATOM 624 C C . ASP A 1 80 ? -4.941 -16.059 21.059 1.00 43.14 ? 80 ASP A C 1 ATOM 625 O O . ASP A 1 80 ? -6.125 -16.195 20.737 1.00 43.61 ? 80 ASP A O 1 ATOM 626 C CB . ASP A 1 80 ? -4.420 -15.324 23.404 1.00 41.90 ? 80 ASP A CB 1 ATOM 627 C CG . ASP A 1 80 ? -4.369 -15.763 24.887 1.00 42.67 ? 80 ASP A CG 1 ATOM 628 O OD1 . ASP A 1 80 ? -4.449 -16.981 25.214 1.00 42.59 ? 80 ASP A OD1 1 ATOM 629 O OD2 . ASP A 1 80 ? -4.259 -14.856 25.749 1.00 43.10 ? 80 ASP A OD2 1 ATOM 630 N N . ILE A 1 81 ? -4.001 -15.584 20.246 1.00 43.54 ? 81 ILE A N 1 ATOM 631 C CA . ILE A 1 81 ? -4.288 -15.085 18.916 1.00 44.18 ? 81 ILE A CA 1 ATOM 632 C C . ILE A 1 81 ? -4.602 -16.224 17.963 1.00 45.41 ? 81 ILE A C 1 ATOM 633 O O . ILE A 1 81 ? -5.531 -16.136 17.155 1.00 46.05 ? 81 ILE A O 1 ATOM 634 C CB . ILE A 1 81 ? -3.106 -14.250 18.363 1.00 44.07 ? 81 ILE A CB 1 ATOM 635 C CG1 . ILE A 1 81 ? -2.925 -12.945 19.180 1.00 43.22 ? 81 ILE A CG1 1 ATOM 636 C CG2 . ILE A 1 81 ? -3.294 -13.973 16.866 1.00 42.78 ? 81 ILE A CG2 1 ATOM 637 C CD1 . ILE A 1 81 ? -4.023 -11.910 19.012 1.00 39.55 ? 81 ILE A CD1 1 ATOM 638 N N . GLN A 1 82 ? -3.816 -17.286 18.060 1.00 46.17 ? 82 GLN A N 1 ATOM 639 C CA . GLN A 1 82 ? -4.033 -18.483 17.304 1.00 47.05 ? 82 GLN A CA 1 ATOM 640 C C . GLN A 1 82 ? -5.403 -19.066 17.659 1.00 48.40 ? 82 GLN A C 1 ATOM 641 O O . GLN A 1 82 ? -6.201 -19.374 16.766 1.00 48.03 ? 82 GLN A O 1 ATOM 642 C CB . GLN A 1 82 ? -2.919 -19.459 17.619 1.00 46.50 ? 82 GLN A CB 1 ATOM 643 C CG . GLN A 1 82 ? -2.466 -20.231 16.414 1.00 47.77 ? 82 GLN A CG 1 ATOM 644 C CD . GLN A 1 82 ? -1.500 -19.463 15.530 1.00 46.12 ? 82 GLN A CD 1 ATOM 645 O OE1 . GLN A 1 82 ? -0.359 -19.256 15.902 1.00 48.08 ? 82 GLN A OE1 1 ATOM 646 N NE2 . GLN A 1 82 ? -1.941 -19.086 14.340 1.00 44.95 ? 82 GLN A NE2 1 ATOM 647 N N . GLU A 1 83 ? -5.684 -19.173 18.965 1.00 50.39 ? 83 GLU A N 1 ATOM 648 C CA . GLU A 1 83 ? -6.987 -19.646 19.467 1.00 52.09 ? 83 GLU A CA 1 ATOM 649 C C . GLU A 1 83 ? -8.104 -18.806 18.879 1.00 52.61 ? 83 GLU A C 1 ATOM 650 O O . GLU A 1 83 ? -9.165 -19.336 18.548 1.00 53.03 ? 83 GLU A O 1 ATOM 651 C CB . GLU A 1 83 ? -7.082 -19.616 21.005 1.00 51.72 ? 83 GLU A CB 1 ATOM 652 C CG . GLU A 1 83 ? -6.686 -20.913 21.734 1.00 52.73 ? 83 GLU A CG 1 ATOM 653 C CD . GLU A 1 83 ? -6.626 -20.742 23.277 1.00 53.66 ? 83 GLU A CD 1 ATOM 654 O OE1 . GLU A 1 83 ? -5.806 -21.441 23.941 1.00 53.46 ? 83 GLU A OE1 1 ATOM 655 O OE2 . GLU A 1 83 ? -7.392 -19.897 23.820 1.00 55.52 ? 83 GLU A OE2 1 ATOM 656 N N . LEU A 1 84 ? -7.867 -17.503 18.742 1.00 53.38 ? 84 LEU A N 1 ATOM 657 C CA . LEU A 1 84 ? -8.893 -16.608 18.202 1.00 54.26 ? 84 LEU A CA 1 ATOM 658 C C . LEU A 1 84 ? -9.143 -16.883 16.718 1.00 54.93 ? 84 LEU A C 1 ATOM 659 O O . LEU A 1 84 ? -10.280 -17.118 16.312 1.00 54.89 ? 84 LEU A O 1 ATOM 660 C CB . LEU A 1 84 ? -8.556 -15.133 18.466 1.00 54.52 ? 84 LEU A CB 1 ATOM 661 C CG . LEU A 1 84 ? -9.703 -14.108 18.428 1.00 55.32 ? 84 LEU A CG 1 ATOM 662 C CD1 . LEU A 1 84 ? -10.799 -14.430 19.474 1.00 57.10 ? 84 LEU A CD1 1 ATOM 663 C CD2 . LEU A 1 84 ? -9.193 -12.689 18.608 1.00 53.75 ? 84 LEU A CD2 1 ATOM 664 N N . VAL A 1 85 ? -8.077 -16.913 15.924 1.00 55.88 ? 85 VAL A N 1 ATOM 665 C CA . VAL A 1 85 ? -8.203 -17.209 14.506 1.00 56.81 ? 85 VAL A CA 1 ATOM 666 C C . VAL A 1 85 ? -9.047 -18.449 14.245 1.00 58.08 ? 85 VAL A C 1 ATOM 667 O O . VAL A 1 85 ? -9.921 -18.415 13.383 1.00 58.35 ? 85 VAL A O 1 ATOM 668 C CB . VAL A 1 85 ? -6.847 -17.370 13.824 1.00 56.54 ? 85 VAL A CB 1 ATOM 669 C CG1 . VAL A 1 85 ? -7.022 -17.884 12.392 1.00 56.67 ? 85 VAL A CG1 1 ATOM 670 C CG2 . VAL A 1 85 ? -6.109 -16.059 13.821 1.00 55.78 ? 85 VAL A CG2 1 ATOM 671 N N . LYS A 1 86 ? -8.803 -19.532 14.987 1.00 59.85 ? 86 LYS A N 1 ATOM 672 C CA . LYS A 1 86 ? -9.499 -20.819 14.741 1.00 61.38 ? 86 LYS A CA 1 ATOM 673 C C . LYS A 1 86 ? -10.970 -20.828 15.191 1.00 62.47 ? 86 LYS A C 1 ATOM 674 O O . LYS A 1 86 ? -11.599 -21.877 15.219 1.00 62.74 ? 86 LYS A O 1 ATOM 675 C CB . LYS A 1 86 ? -8.696 -22.047 15.260 1.00 61.04 ? 86 LYS A CB 1 ATOM 676 C CG . LYS A 1 86 ? -9.133 -22.673 16.606 1.00 61.51 ? 86 LYS A CG 1 ATOM 677 C CD . LYS A 1 86 ? -8.655 -24.157 16.768 1.00 61.62 ? 86 LYS A CD 1 ATOM 678 C CE . LYS A 1 86 ? -9.098 -24.794 18.116 1.00 61.46 ? 86 LYS A CE 1 ATOM 679 N NZ . LYS A 1 86 ? -8.151 -25.807 18.706 1.00 59.86 ? 86 LYS A NZ 1 ATOM 680 N N . MET A 1 87 ? -11.508 -19.659 15.545 1.00 64.14 ? 87 MET A N 1 ATOM 681 C CA . MET A 1 87 ? -12.960 -19.480 15.681 1.00 65.51 ? 87 MET A CA 1 ATOM 682 C C . MET A 1 87 ? -13.498 -18.773 14.419 1.00 66.32 ? 87 MET A C 1 ATOM 683 O O . MET A 1 87 ? -14.598 -19.074 13.950 1.00 66.45 ? 87 MET A O 1 ATOM 684 C CB . MET A 1 87 ? -13.322 -18.711 16.960 1.00 65.52 ? 87 MET A CB 1 ATOM 685 C CG . MET A 1 87 ? -12.674 -19.247 18.247 1.00 66.10 ? 87 MET A CG 1 ATOM 686 S SD . MET A 1 87 ? -13.171 -18.380 19.766 1.00 66.23 ? 87 MET A SD 1 ATOM 687 C CE . MET A 1 87 ? -14.240 -19.631 20.513 1.00 66.71 ? 87 MET A CE 1 ATOM 688 N N . MET A 1 88 ? -12.702 -17.848 13.870 1.00 67.20 ? 88 MET A N 1 ATOM 689 C CA . MET A 1 88 ? -12.981 -17.201 12.575 1.00 67.97 ? 88 MET A CA 1 ATOM 690 C C . MET A 1 88 ? -12.730 -18.174 11.404 1.00 68.18 ? 88 MET A C 1 ATOM 691 O O . MET A 1 88 ? -13.608 -18.439 10.570 1.00 68.13 ? 88 MET A O 1 ATOM 692 C CB . MET A 1 88 ? -12.104 -15.946 12.395 1.00 68.26 ? 88 MET A CB 1 ATOM 693 C CG . MET A 1 88 ? -11.596 -15.262 13.703 1.00 69.67 ? 88 MET A CG 1 ATOM 694 S SD . MET A 1 88 ? -12.612 -13.973 14.500 1.00 71.98 ? 88 MET A SD 1 ATOM 695 C CE . MET A 1 88 ? -13.972 -14.910 15.227 1.00 69.97 ? 88 MET A CE 1 ATOM 696 N N . ASP A 1 93 ? -8.768 -15.435 9.030 1.00 54.78 ? 93 ASP A N 1 ATOM 697 C CA . ASP A 1 93 ? -8.301 -15.533 7.645 1.00 54.55 ? 93 ASP A CA 1 ATOM 698 C C . ASP A 1 93 ? -6.828 -15.065 7.488 1.00 53.49 ? 93 ASP A C 1 ATOM 699 O O . ASP A 1 93 ? -6.556 -13.869 7.539 1.00 54.30 ? 93 ASP A O 1 ATOM 700 C CB . ASP A 1 93 ? -9.260 -14.732 6.749 1.00 55.08 ? 93 ASP A CB 1 ATOM 701 C CG . ASP A 1 93 ? -8.811 -14.671 5.296 1.00 57.00 ? 93 ASP A CG 1 ATOM 702 O OD1 . ASP A 1 93 ? -8.319 -15.697 4.772 1.00 58.74 ? 93 ASP A OD1 1 ATOM 703 O OD2 . ASP A 1 93 ? -8.964 -13.586 4.677 1.00 59.32 ? 93 ASP A OD2 1 ATOM 704 N N . TYR A 1 94 ? -5.886 -15.999 7.312 1.00 51.83 ? 94 TYR A N 1 ATOM 705 C CA . TYR A 1 94 ? -4.442 -15.671 7.203 1.00 49.77 ? 94 TYR A CA 1 ATOM 706 C C . TYR A 1 94 ? -4.125 -14.998 5.865 1.00 48.79 ? 94 TYR A C 1 ATOM 707 O O . TYR A 1 94 ? -4.909 -15.139 4.924 1.00 49.57 ? 94 TYR A O 1 ATOM 708 C CB . TYR A 1 94 ? -3.584 -16.928 7.368 1.00 49.34 ? 94 TYR A CB 1 ATOM 709 C CG . TYR A 1 94 ? -3.714 -17.588 8.720 1.00 49.05 ? 94 TYR A CG 1 ATOM 710 C CD1 . TYR A 1 94 ? -4.448 -18.765 8.882 1.00 48.55 ? 94 TYR A CD1 1 ATOM 711 C CD2 . TYR A 1 94 ? -3.098 -17.043 9.841 1.00 49.14 ? 94 TYR A CD2 1 ATOM 712 C CE1 . TYR A 1 94 ? -4.566 -19.376 10.135 1.00 48.77 ? 94 TYR A CE1 1 ATOM 713 C CE2 . TYR A 1 94 ? -3.214 -17.638 11.100 1.00 48.85 ? 94 TYR A CE2 1 ATOM 714 C CZ . TYR A 1 94 ? -3.946 -18.799 11.240 1.00 49.21 ? 94 TYR A CZ 1 ATOM 715 O OH . TYR A 1 94 ? -4.043 -19.375 12.489 1.00 49.94 ? 94 TYR A OH 1 ATOM 716 N N . PRO A 1 95 ? -2.997 -14.252 5.764 1.00 47.58 ? 95 PRO A N 1 ATOM 717 C CA . PRO A 1 95 ? -1.978 -13.892 6.790 1.00 46.52 ? 95 PRO A CA 1 ATOM 718 C C . PRO A 1 95 ? -2.404 -12.762 7.728 1.00 45.25 ? 95 PRO A C 1 ATOM 719 O O . PRO A 1 95 ? -3.029 -11.812 7.302 1.00 45.16 ? 95 PRO A O 1 ATOM 720 C CB . PRO A 1 95 ? -0.751 -13.471 5.966 1.00 46.34 ? 95 PRO A CB 1 ATOM 721 C CG . PRO A 1 95 ? -1.259 -13.191 4.572 1.00 46.82 ? 95 PRO A CG 1 ATOM 722 C CD . PRO A 1 95 ? -2.675 -13.687 4.437 1.00 47.44 ? 95 PRO A CD 1 ATOM 723 N N . ILE A 1 96 ? -2.079 -12.896 9.004 1.00 44.49 ? 96 ILE A N 1 ATOM 724 C CA . ILE A 1 96 ? -2.402 -11.891 10.000 1.00 43.90 ? 96 ILE A CA 1 ATOM 725 C C . ILE A 1 96 ? -1.135 -11.163 10.411 1.00 43.51 ? 96 ILE A C 1 ATOM 726 O O . ILE A 1 96 ? -0.091 -11.797 10.653 1.00 43.59 ? 96 ILE A O 1 ATOM 727 C CB . ILE A 1 96 ? -3.030 -12.530 11.255 1.00 44.11 ? 96 ILE A CB 1 ATOM 728 C CG1 . ILE A 1 96 ? -4.226 -13.425 10.896 1.00 44.65 ? 96 ILE A CG1 1 ATOM 729 C CG2 . ILE A 1 96 ? -3.421 -11.481 12.269 1.00 43.73 ? 96 ILE A CG2 1 ATOM 730 C CD1 . ILE A 1 96 ? -5.341 -12.728 10.158 1.00 46.58 ? 96 ILE A CD1 1 ATOM 731 N N . GLU A 1 97 ? -1.216 -9.834 10.484 1.00 42.71 ? 97 GLU A N 1 ATOM 732 C CA . GLU A 1 97 ? -0.111 -9.029 11.004 1.00 41.58 ? 97 GLU A CA 1 ATOM 733 C C . GLU A 1 97 ? -0.642 -8.242 12.169 1.00 40.79 ? 97 GLU A C 1 ATOM 734 O O . GLU A 1 97 ? -1.553 -7.478 11.976 1.00 41.32 ? 97 GLU A O 1 ATOM 735 C CB . GLU A 1 97 ? 0.413 -8.064 9.933 1.00 41.13 ? 97 GLU A CB 1 ATOM 736 C CG . GLU A 1 97 ? 0.890 -8.741 8.659 1.00 40.14 ? 97 GLU A CG 1 ATOM 737 C CD . GLU A 1 97 ? 2.168 -9.523 8.853 1.00 42.00 ? 97 GLU A CD 1 ATOM 738 O OE1 . GLU A 1 97 ? 2.928 -9.222 9.825 1.00 40.39 ? 97 GLU A OE1 1 ATOM 739 O OE2 . GLU A 1 97 ? 2.398 -10.459 8.042 1.00 42.13 ? 97 GLU A OE2 1 ATOM 740 N N . ILE A 1 98 ? -0.100 -8.426 13.369 1.00 40.04 ? 98 ILE A N 1 ATOM 741 C CA . ILE A 1 98 ? -0.502 -7.583 14.516 1.00 39.80 ? 98 ILE A CA 1 ATOM 742 C C . ILE A 1 98 ? 0.660 -6.734 15.016 1.00 39.99 ? 98 ILE A C 1 ATOM 743 O O . ILE A 1 98 ? 1.745 -7.250 15.190 1.00 41.14 ? 98 ILE A O 1 ATOM 744 C CB . ILE A 1 98 ? -1.119 -8.442 15.673 1.00 39.47 ? 98 ILE A CB 1 ATOM 745 C CG1 . ILE A 1 98 ? -2.529 -8.862 15.306 1.00 37.17 ? 98 ILE A CG1 1 ATOM 746 C CG2 . ILE A 1 98 ? -1.150 -7.700 17.007 1.00 38.66 ? 98 ILE A CG2 1 ATOM 747 C CD1 . ILE A 1 98 ? -2.812 -10.194 15.747 1.00 37.39 ? 98 ILE A CD1 1 ATOM 748 N N . GLN A 1 99 ? 0.446 -5.442 15.225 1.00 39.73 ? 99 GLN A N 1 ATOM 749 C CA . GLN A 1 99 ? 1.471 -4.584 15.823 1.00 39.59 ? 99 GLN A CA 1 ATOM 750 C C . GLN A 1 99 ? 1.019 -4.013 17.146 1.00 39.84 ? 99 GLN A C 1 ATOM 751 O O . GLN A 1 99 ? -0.155 -3.767 17.359 1.00 39.88 ? 99 GLN A O 1 ATOM 752 C CB . GLN A 1 99 ? 1.819 -3.422 14.906 1.00 39.33 ? 99 GLN A CB 1 ATOM 753 C CG . GLN A 1 99 ? 2.453 -3.831 13.641 1.00 38.80 ? 99 GLN A CG 1 ATOM 754 C CD . GLN A 1 99 ? 2.298 -2.813 12.569 1.00 38.23 ? 99 GLN A CD 1 ATOM 755 O OE1 . GLN A 1 99 ? 1.493 -2.986 11.675 1.00 39.38 ? 99 GLN A OE1 1 ATOM 756 N NE2 . GLN A 1 99 ? 3.084 -1.748 12.631 1.00 39.43 ? 99 GLN A NE2 1 ATOM 757 N N . LEU A 1 100 ? 1.972 -3.764 18.018 1.00 40.48 ? 100 LEU A N 1 ATOM 758 C CA . LEU A 1 100 ? 1.694 -3.222 19.343 1.00 41.44 ? 100 LEU A CA 1 ATOM 759 C C . LEU A 1 100 ? 2.754 -2.177 19.718 1.00 41.64 ? 100 LEU A C 1 ATOM 760 O O . LEU A 1 100 ? 3.958 -2.356 19.505 1.00 42.01 ? 100 LEU A O 1 ATOM 761 C CB . LEU A 1 100 ? 1.640 -4.370 20.349 1.00 41.81 ? 100 LEU A CB 1 ATOM 762 C CG . LEU A 1 100 ? 1.147 -4.155 21.772 1.00 44.37 ? 100 LEU A CG 1 ATOM 763 C CD1 . LEU A 1 100 ? 0.365 -5.395 22.305 1.00 44.10 ? 100 LEU A CD1 1 ATOM 764 C CD2 . LEU A 1 100 ? 2.347 -3.800 22.651 1.00 49.03 ? 100 LEU A CD2 1 ATOM 765 N N . SER A 1 101 ? 2.304 -1.069 20.259 1.00 42.26 ? 101 SER A N 1 ATOM 766 C CA . SER A 1 101 ? 3.183 0.044 20.551 1.00 42.92 ? 101 SER A CA 1 ATOM 767 C C . SER A 1 101 ? 2.848 0.433 21.983 1.00 43.29 ? 101 SER A C 1 ATOM 768 O O . SER A 1 101 ? 1.714 0.803 22.279 1.00 44.46 ? 101 SER A O 1 ATOM 769 C CB . SER A 1 101 ? 2.883 1.170 19.564 1.00 42.83 ? 101 SER A CB 1 ATOM 770 O OG . SER A 1 101 ? 3.838 2.210 19.610 1.00 44.86 ? 101 SER A OG 1 ATOM 771 N N . ALA A 1 102 ? 3.812 0.310 22.881 1.00 43.44 ? 102 ALA A N 1 ATOM 772 C CA . ALA A 1 102 ? 3.560 0.457 24.303 1.00 43.38 ? 102 ALA A CA 1 ATOM 773 C C . ALA A 1 102 ? 4.728 1.156 24.984 1.00 43.58 ? 102 ALA A C 1 ATOM 774 O O . ALA A 1 102 ? 5.881 0.860 24.715 1.00 43.04 ? 102 ALA A O 1 ATOM 775 C CB . ALA A 1 102 ? 3.330 -0.905 24.919 1.00 43.65 ? 102 ALA A CB 1 ATOM 776 N N . GLY A 1 103 ? 4.420 2.071 25.892 1.00 44.35 ? 103 GLY A N 1 ATOM 777 C CA . GLY A 1 103 ? 5.456 2.808 26.596 1.00 45.51 ? 103 GLY A CA 1 ATOM 778 C C . GLY A 1 103 ? 4.956 4.110 27.173 1.00 46.25 ? 103 GLY A C 1 ATOM 779 O O . GLY A 1 103 ? 3.801 4.210 27.584 1.00 45.66 ? 103 GLY A O 1 ATOM 780 N N . CYS A 1 104 ? 5.823 5.116 27.204 1.00 47.62 ? 104 CYS A N 1 ATOM 781 C CA . CYS A 1 104 ? 5.456 6.359 27.851 1.00 49.27 ? 104 CYS A CA 1 ATOM 782 C C . CYS A 1 104 ? 6.185 7.566 27.318 1.00 50.77 ? 104 CYS A C 1 ATOM 783 O O . CYS A 1 104 ? 7.297 7.472 26.809 1.00 51.30 ? 104 CYS A O 1 ATOM 784 C CB . CYS A 1 104 ? 5.572 6.251 29.392 1.00 49.41 ? 104 CYS A CB 1 ATOM 785 S SG . CYS A 1 104 ? 7.033 5.392 30.123 1.00 49.12 ? 104 CYS A SG 1 ATOM 786 N N . GLU A 1 105 ? 5.511 8.704 27.414 1.00 52.86 ? 105 GLU A N 1 ATOM 787 C CA . GLU A 1 105 ? 6.061 9.999 27.067 1.00 54.58 ? 105 GLU A CA 1 ATOM 788 C C . GLU A 1 105 ? 6.452 10.732 28.323 1.00 55.54 ? 105 GLU A C 1 ATOM 789 O O . GLU A 1 105 ? 5.632 10.964 29.204 1.00 54.89 ? 105 GLU A O 1 ATOM 790 C CB . GLU A 1 105 ? 5.033 10.818 26.318 1.00 54.79 ? 105 GLU A CB 1 ATOM 791 C CG . GLU A 1 105 ? 5.649 11.808 25.359 1.00 57.71 ? 105 GLU A CG 1 ATOM 792 C CD . GLU A 1 105 ? 4.716 12.114 24.206 1.00 62.37 ? 105 GLU A CD 1 ATOM 793 O OE1 . GLU A 1 105 ? 4.555 13.314 23.898 1.00 64.34 ? 105 GLU A OE1 1 ATOM 794 O OE2 . GLU A 1 105 ? 4.127 11.160 23.627 1.00 63.43 ? 105 GLU A OE2 1 ATOM 795 N N . MET A 1 106 ? 7.720 11.111 28.382 1.00 57.69 ? 106 MET A N 1 ATOM 796 C CA . MET A 1 106 ? 8.301 11.738 29.560 1.00 59.86 ? 106 MET A CA 1 ATOM 797 C C . MET A 1 106 ? 8.395 13.258 29.411 1.00 61.12 ? 106 MET A C 1 ATOM 798 O O . MET A 1 106 ? 9.172 13.770 28.583 1.00 61.31 ? 106 MET A O 1 ATOM 799 C CB . MET A 1 106 ? 9.688 11.148 29.826 1.00 59.93 ? 106 MET A CB 1 ATOM 800 C CG . MET A 1 106 ? 9.706 9.631 29.878 1.00 61.08 ? 106 MET A CG 1 ATOM 801 S SD . MET A 1 106 ? 8.913 8.944 31.365 1.00 63.53 ? 106 MET A SD 1 ATOM 802 C CE . MET A 1 106 ? 9.933 9.657 32.672 1.00 61.76 ? 106 MET A CE 1 ATOM 803 N N . TYR A 1 107 ? 7.604 13.965 30.219 1.00 62.36 ? 107 TYR A N 1 ATOM 804 C CA . TYR A 1 107 ? 7.623 15.427 30.249 1.00 63.77 ? 107 TYR A CA 1 ATOM 805 C C . TYR A 1 107 ? 8.514 15.943 31.371 1.00 64.19 ? 107 TYR A C 1 ATOM 806 O O . TYR A 1 107 ? 8.772 15.219 32.341 1.00 64.25 ? 107 TYR A O 1 ATOM 807 C CB . TYR A 1 107 ? 6.200 15.982 30.384 1.00 64.24 ? 107 TYR A CB 1 ATOM 808 C CG . TYR A 1 107 ? 5.247 15.336 29.407 1.00 65.21 ? 107 TYR A CG 1 ATOM 809 C CD1 . TYR A 1 107 ? 5.254 15.693 28.056 1.00 65.99 ? 107 TYR A CD1 1 ATOM 810 C CD2 . TYR A 1 107 ? 4.357 14.347 29.826 1.00 65.05 ? 107 TYR A CD2 1 ATOM 811 C CE1 . TYR A 1 107 ? 4.387 15.093 27.150 1.00 66.18 ? 107 TYR A CE1 1 ATOM 812 C CE2 . TYR A 1 107 ? 3.488 13.747 28.936 1.00 64.97 ? 107 TYR A CE2 1 ATOM 813 C CZ . TYR A 1 107 ? 3.506 14.117 27.596 1.00 65.65 ? 107 TYR A CZ 1 ATOM 814 O OH . TYR A 1 107 ? 2.642 13.510 26.700 1.00 65.51 ? 107 TYR A OH 1 ATOM 815 N N . PRO A 1 108 ? 9.009 17.191 31.233 1.00 64.72 ? 108 PRO A N 1 ATOM 816 C CA . PRO A 1 108 ? 9.833 17.784 32.287 1.00 64.76 ? 108 PRO A CA 1 ATOM 817 C C . PRO A 1 108 ? 8.965 18.177 33.496 1.00 64.63 ? 108 PRO A C 1 ATOM 818 O O . PRO A 1 108 ? 7.804 18.579 33.321 1.00 64.95 ? 108 PRO A O 1 ATOM 819 C CB . PRO A 1 108 ? 10.433 19.015 31.606 1.00 64.87 ? 108 PRO A CB 1 ATOM 820 C CG . PRO A 1 108 ? 9.401 19.414 30.585 1.00 65.04 ? 108 PRO A CG 1 ATOM 821 C CD . PRO A 1 108 ? 8.832 18.109 30.086 1.00 65.02 ? 108 PRO A CD 1 ATOM 822 N N . GLY A 1 109 ? 9.526 18.064 34.702 1.00 64.06 ? 109 GLY A N 1 ATOM 823 C CA . GLY A 1 109 ? 8.760 18.247 35.936 1.00 62.80 ? 109 GLY A CA 1 ATOM 824 C C . GLY A 1 109 ? 8.262 16.891 36.396 1.00 62.02 ? 109 GLY A C 1 ATOM 825 O O . GLY A 1 109 ? 7.229 16.785 37.061 1.00 61.93 ? 109 GLY A O 1 ATOM 826 N N . ASN A 1 110 ? 9.000 15.853 36.000 1.00 61.14 ? 110 ASN A N 1 ATOM 827 C CA . ASN A 1 110 ? 8.749 14.465 36.412 1.00 60.05 ? 110 ASN A CA 1 ATOM 828 C C . ASN A 1 110 ? 7.341 13.892 36.063 1.00 59.07 ? 110 ASN A C 1 ATOM 829 O O . ASN A 1 110 ? 6.974 12.805 36.541 1.00 59.31 ? 110 ASN A O 1 ATOM 830 C CB . ASN A 1 110 ? 9.133 14.262 37.905 1.00 60.20 ? 110 ASN A CB 1 ATOM 831 C CG . ASN A 1 110 ? 10.676 14.195 38.138 1.00 60.26 ? 110 ASN A CG 1 ATOM 832 O OD1 . ASN A 1 110 ? 11.368 13.376 37.531 1.00 58.99 ? 110 ASN A OD1 1 ATOM 833 N ND2 . ASN A 1 110 ? 11.194 15.040 39.045 1.00 58.69 ? 110 ASN A ND2 1 ATOM 834 N N . ALA A 1 111 ? 6.586 14.605 35.213 1.00 57.32 ? 111 ALA A N 1 ATOM 835 C CA . ALA A 1 111 ? 5.264 14.159 34.716 1.00 55.53 ? 111 ALA A CA 1 ATOM 836 C C . ALA A 1 111 ? 5.399 13.111 33.614 1.00 54.48 ? 111 ALA A C 1 ATOM 837 O O . ALA A 1 111 ? 6.485 12.938 33.057 1.00 54.74 ? 111 ALA A O 1 ATOM 838 C CB . ALA A 1 111 ? 4.446 15.344 34.207 1.00 55.42 ? 111 ALA A CB 1 ATOM 839 N N . SER A 1 112 ? 4.305 12.407 33.308 1.00 52.76 ? 112 SER A N 1 ATOM 840 C CA . SER A 1 112 ? 4.301 11.420 32.230 1.00 51.13 ? 112 SER A CA 1 ATOM 841 C C . SER A 1 112 ? 2.911 10.872 31.853 1.00 50.16 ? 112 SER A C 1 ATOM 842 O O . SER A 1 112 ? 1.965 10.999 32.606 1.00 49.96 ? 112 SER A O 1 ATOM 843 C CB . SER A 1 112 ? 5.308 10.295 32.504 1.00 50.83 ? 112 SER A CB 1 ATOM 844 O OG . SER A 1 112 ? 4.731 9.214 33.201 1.00 51.68 ? 112 SER A OG 1 ATOM 845 N N . GLU A 1 113 ? 2.824 10.265 30.668 1.00 49.15 ? 113 GLU A N 1 ATOM 846 C CA . GLU A 1 113 ? 1.604 9.674 30.136 1.00 48.69 ? 113 GLU A CA 1 ATOM 847 C C . GLU A 1 113 ? 1.910 8.345 29.414 1.00 47.07 ? 113 GLU A C 1 ATOM 848 O O . GLU A 1 113 ? 2.743 8.305 28.512 1.00 47.18 ? 113 GLU A O 1 ATOM 849 C CB . GLU A 1 113 ? 0.944 10.658 29.174 1.00 49.57 ? 113 GLU A CB 1 ATOM 850 C CG . GLU A 1 113 ? -0.302 11.335 29.716 1.00 54.32 ? 113 GLU A CG 1 ATOM 851 C CD . GLU A 1 113 ? -1.567 10.501 29.453 1.00 60.39 ? 113 GLU A CD 1 ATOM 852 O OE1 . GLU A 1 113 ? -1.578 9.753 28.439 1.00 60.11 ? 113 GLU A OE1 1 ATOM 853 O OE2 . GLU A 1 113 ? -2.547 10.602 30.250 1.00 63.37 ? 113 GLU A OE2 1 ATOM 854 N N . SER A 1 114 ? 1.243 7.259 29.808 1.00 44.87 ? 114 SER A N 1 ATOM 855 C CA . SER A 1 114 ? 1.488 5.956 29.190 1.00 42.71 ? 114 SER A CA 1 ATOM 856 C C . SER A 1 114 ? 0.464 5.620 28.080 1.00 41.85 ? 114 SER A C 1 ATOM 857 O O . SER A 1 114 ? -0.599 6.231 27.987 1.00 41.38 ? 114 SER A O 1 ATOM 858 C CB . SER A 1 114 ? 1.572 4.862 30.263 1.00 42.36 ? 114 SER A CB 1 ATOM 859 O OG . SER A 1 114 ? 2.751 5.003 31.037 0.50 41.26 ? 114 SER A OG 1 ATOM 860 N N . PHE A 1 115 ? 0.802 4.661 27.225 1.00 40.78 ? 115 PHE A N 1 ATOM 861 C CA . PHE A 1 115 ? -0.043 4.295 26.114 1.00 39.62 ? 115 PHE A CA 1 ATOM 862 C C . PHE A 1 115 ? 0.202 2.833 25.799 1.00 39.43 ? 115 PHE A C 1 ATOM 863 O O . PHE A 1 115 ? 1.257 2.295 26.098 1.00 38.96 ? 115 PHE A O 1 ATOM 864 C CB . PHE A 1 115 ? 0.243 5.178 24.881 1.00 39.48 ? 115 PHE A CB 1 ATOM 865 C CG . PHE A 1 115 ? 1.693 5.169 24.438 1.00 40.52 ? 115 PHE A CG 1 ATOM 866 C CD1 . PHE A 1 115 ? 2.574 6.160 24.865 1.00 41.54 ? 115 PHE A CD1 1 ATOM 867 C CD2 . PHE A 1 115 ? 2.184 4.174 23.591 1.00 41.11 ? 115 PHE A CD2 1 ATOM 868 C CE1 . PHE A 1 115 ? 3.921 6.145 24.473 1.00 40.73 ? 115 PHE A CE1 1 ATOM 869 C CE2 . PHE A 1 115 ? 3.540 4.159 23.198 1.00 40.55 ? 115 PHE A CE2 1 ATOM 870 C CZ . PHE A 1 115 ? 4.394 5.138 23.639 1.00 39.29 ? 115 PHE A CZ 1 ATOM 871 N N . LEU A 1 116 ? -0.787 2.206 25.173 1.00 39.47 ? 116 LEU A N 1 ATOM 872 C CA . LEU A 1 116 ? -0.698 0.843 24.745 1.00 39.30 ? 116 LEU A CA 1 ATOM 873 C C . LEU A 1 116 ? -1.635 0.713 23.555 1.00 39.95 ? 116 LEU A C 1 ATOM 874 O O . LEU A 1 116 ? -2.849 0.558 23.715 1.00 41.54 ? 116 LEU A O 1 ATOM 875 C CB . LEU A 1 116 ? -1.095 -0.094 25.887 1.00 38.87 ? 116 LEU A CB 1 ATOM 876 C CG . LEU A 1 116 ? -0.681 -1.569 25.745 1.00 38.54 ? 116 LEU A CG 1 ATOM 877 C CD1 . LEU A 1 116 ? -0.869 -2.320 27.050 1.00 37.47 ? 116 LEU A CD1 1 ATOM 878 C CD2 . LEU A 1 116 ? -1.447 -2.270 24.618 1.00 39.72 ? 116 LEU A CD2 1 ATOM 879 N N . HIS A 1 117 ? -1.089 0.799 22.349 1.00 40.48 ? 117 HIS A N 1 ATOM 880 C CA . HIS A 1 117 ? -1.925 0.831 21.130 1.00 39.89 ? 117 HIS A CA 1 ATOM 881 C C . HIS A 1 117 ? -1.693 -0.424 20.301 1.00 40.46 ? 117 HIS A C 1 ATOM 882 O O . HIS A 1 117 ? -0.553 -0.878 20.205 1.00 41.77 ? 117 HIS A O 1 ATOM 883 C CB . HIS A 1 117 ? -1.615 2.074 20.330 1.00 38.82 ? 117 HIS A CB 1 ATOM 884 C CG . HIS A 1 117 ? -2.108 3.344 20.951 1.00 38.10 ? 117 HIS A CG 1 ATOM 885 N ND1 . HIS A 1 117 ? -1.728 4.586 20.491 1.00 39.12 ? 117 HIS A ND1 1 ATOM 886 C CD2 . HIS A 1 117 ? -2.946 3.570 21.991 1.00 39.39 ? 117 HIS A CD2 1 ATOM 887 C CE1 . HIS A 1 117 ? -2.329 5.522 21.209 1.00 40.04 ? 117 HIS A CE1 1 ATOM 888 N NE2 . HIS A 1 117 ? -3.077 4.932 22.124 1.00 38.67 ? 117 HIS A NE2 1 ATOM 889 N N . VAL A 1 118 ? -2.754 -1.015 19.755 1.00 39.91 ? 118 VAL A N 1 ATOM 890 C CA . VAL A 1 118 ? -2.646 -2.249 18.996 1.00 40.18 ? 118 VAL A CA 1 ATOM 891 C C . VAL A 1 118 ? -3.251 -2.097 17.614 1.00 40.21 ? 118 VAL A C 1 ATOM 892 O O . VAL A 1 118 ? -4.400 -1.705 17.492 1.00 40.68 ? 118 VAL A O 1 ATOM 893 C CB . VAL A 1 118 ? -3.402 -3.417 19.674 1.00 40.69 ? 118 VAL A CB 1 ATOM 894 C CG1 . VAL A 1 118 ? -3.028 -4.763 18.970 1.00 41.43 ? 118 VAL A CG1 1 ATOM 895 C CG2 . VAL A 1 118 ? -3.105 -3.476 21.147 1.00 40.37 ? 118 VAL A CG2 1 ATOM 896 N N . ALA A 1 119 ? -2.490 -2.430 16.579 1.00 40.60 ? 119 ALA A N 1 ATOM 897 C CA . ALA A 1 119 ? -2.982 -2.402 15.203 1.00 40.39 ? 119 ALA A CA 1 ATOM 898 C C . ALA A 1 119 ? -3.124 -3.806 14.662 1.00 40.61 ? 119 ALA A C 1 ATOM 899 O O . ALA A 1 119 ? -2.390 -4.713 15.077 1.00 40.97 ? 119 ALA A O 1 ATOM 900 C CB . ALA A 1 119 ? -2.072 -1.622 14.325 1.00 40.58 ? 119 ALA A CB 1 ATOM 901 N N . PHE A 1 120 ? -4.078 -3.964 13.736 1.00 40.40 ? 120 PHE A N 1 ATOM 902 C CA . PHE A 1 120 ? -4.367 -5.205 13.028 1.00 40.02 ? 120 PHE A CA 1 ATOM 903 C C . PHE A 1 120 ? -4.405 -4.888 11.523 1.00 40.69 ? 120 PHE A C 1 ATOM 904 O O . PHE A 1 120 ? -5.208 -4.060 11.066 1.00 40.60 ? 120 PHE A O 1 ATOM 905 C CB . PHE A 1 120 ? -5.705 -5.754 13.524 1.00 39.47 ? 120 PHE A CB 1 ATOM 906 C CG . PHE A 1 120 ? -6.264 -6.880 12.701 1.00 38.79 ? 120 PHE A CG 1 ATOM 907 C CD1 . PHE A 1 120 ? -5.584 -8.096 12.584 1.00 39.53 ? 120 PHE A CD1 1 ATOM 908 C CD2 . PHE A 1 120 ? -7.488 -6.742 12.077 1.00 37.53 ? 120 PHE A CD2 1 ATOM 909 C CE1 . PHE A 1 120 ? -6.106 -9.151 11.827 1.00 38.07 ? 120 PHE A CE1 1 ATOM 910 C CE2 . PHE A 1 120 ? -8.028 -7.792 11.314 1.00 39.42 ? 120 PHE A CE2 1 ATOM 911 C CZ . PHE A 1 120 ? -7.337 -9.005 11.196 1.00 38.15 ? 120 PHE A CZ 1 ATOM 912 N N . GLN A 1 121 ? -3.537 -5.546 10.753 1.00 41.08 ? 121 GLN A N 1 ATOM 913 C CA . GLN A 1 121 ? -3.425 -5.320 9.305 1.00 41.40 ? 121 GLN A CA 1 ATOM 914 C C . GLN A 1 121 ? -3.024 -3.873 9.018 1.00 41.92 ? 121 GLN A C 1 ATOM 915 O O . GLN A 1 121 ? -3.533 -3.263 8.080 1.00 41.78 ? 121 GLN A O 1 ATOM 916 C CB . GLN A 1 121 ? -4.727 -5.665 8.550 1.00 41.22 ? 121 GLN A CB 1 ATOM 917 C CG . GLN A 1 121 ? -5.381 -7.011 8.892 1.00 41.01 ? 121 GLN A CG 1 ATOM 918 C CD . GLN A 1 121 ? -4.453 -8.205 8.700 1.00 42.92 ? 121 GLN A CD 1 ATOM 919 O OE1 . GLN A 1 121 ? -3.309 -8.222 9.201 1.00 43.34 ? 121 GLN A OE1 1 ATOM 920 N NE2 . GLN A 1 121 ? -4.944 -9.221 7.991 1.00 39.61 ? 121 GLN A NE2 1 ATOM 921 N N . GLY A 1 122 ? -2.111 -3.347 9.840 1.00 42.34 ? 122 GLY A N 1 ATOM 922 C CA . GLY A 1 122 ? -1.613 -1.973 9.731 1.00 42.74 ? 122 GLY A CA 1 ATOM 923 C C . GLY A 1 122 ? -2.585 -0.860 10.121 1.00 43.33 ? 122 GLY A C 1 ATOM 924 O O . GLY A 1 122 ? -2.332 0.328 9.819 1.00 43.18 ? 122 GLY A O 1 ATOM 925 N N . LYS A 1 123 ? -3.681 -1.245 10.788 1.00 43.16 ? 123 LYS A N 1 ATOM 926 C CA . LYS A 1 123 ? -4.680 -0.303 11.272 1.00 43.28 ? 123 LYS A CA 1 ATOM 927 C C . LYS A 1 123 ? -4.963 -0.391 12.757 1.00 43.00 ? 123 LYS A C 1 ATOM 928 O O . LYS A 1 123 ? -5.342 -1.418 13.281 1.00 43.98 ? 123 LYS A O 1 ATOM 929 C CB . LYS A 1 123 ? -5.992 -0.446 10.510 1.00 43.38 ? 123 LYS A CB 1 ATOM 930 C CG . LYS A 1 123 ? -6.997 0.583 10.899 1.00 44.80 ? 123 LYS A CG 1 ATOM 931 C CD . LYS A 1 123 ? -8.073 0.709 9.868 1.00 48.71 ? 123 LYS A CD 1 ATOM 932 C CE . LYS A 1 123 ? -9.192 1.619 10.367 1.00 49.64 ? 123 LYS A CE 1 ATOM 933 N NZ . LYS A 1 123 ? -9.674 2.515 9.277 1.00 50.38 ? 123 LYS A NZ 1 ATOM 934 N N . TYR A 1 124 ? -4.814 0.739 13.421 1.00 42.95 ? 124 TYR A N 1 ATOM 935 C CA . TYR A 1 124 ? -5.147 0.904 14.828 1.00 41.70 ? 124 TYR A CA 1 ATOM 936 C C . TYR A 1 124 ? -6.567 0.404 15.125 1.00 41.27 ? 124 TYR A C 1 ATOM 937 O O . TYR A 1 124 ? -7.526 0.823 14.428 1.00 42.21 ? 124 TYR A O 1 ATOM 938 C CB . TYR A 1 124 ? -5.028 2.388 15.135 1.00 40.82 ? 124 TYR A CB 1 ATOM 939 C CG . TYR A 1 124 ? -5.296 2.758 16.562 1.00 40.90 ? 124 TYR A CG 1 ATOM 940 C CD1 . TYR A 1 124 ? -4.937 1.894 17.621 1.00 38.41 ? 124 TYR A CD1 1 ATOM 941 C CD2 . TYR A 1 124 ? -5.857 4.006 16.867 1.00 40.09 ? 124 TYR A CD2 1 ATOM 942 C CE1 . TYR A 1 124 ? -5.163 2.246 18.910 1.00 38.49 ? 124 TYR A CE1 1 ATOM 943 C CE2 . TYR A 1 124 ? -6.078 4.380 18.167 1.00 40.10 ? 124 TYR A CE2 1 ATOM 944 C CZ . TYR A 1 124 ? -5.726 3.497 19.190 1.00 41.09 ? 124 TYR A CZ 1 ATOM 945 O OH . TYR A 1 124 ? -5.981 3.867 20.497 1.00 42.48 ? 124 TYR A OH 1 ATOM 946 N N . VAL A 1 125 ? -6.702 -0.464 16.132 1.00 39.48 ? 125 VAL A N 1 ATOM 947 C CA . VAL A 1 125 ? -7.993 -1.071 16.483 1.00 38.86 ? 125 VAL A CA 1 ATOM 948 C C . VAL A 1 125 ? -8.299 -1.213 17.985 1.00 39.38 ? 125 VAL A C 1 ATOM 949 O O . VAL A 1 125 ? -9.457 -1.246 18.377 1.00 39.93 ? 125 VAL A O 1 ATOM 950 C CB . VAL A 1 125 ? -8.172 -2.467 15.845 1.00 39.13 ? 125 VAL A CB 1 ATOM 951 C CG1 . VAL A 1 125 ? -8.122 -2.383 14.328 1.00 38.26 ? 125 VAL A CG1 1 ATOM 952 C CG2 . VAL A 1 125 ? -7.157 -3.528 16.412 1.00 37.16 ? 125 VAL A CG2 1 ATOM 953 N N . VAL A 1 126 ? -7.271 -1.322 18.817 1.00 39.19 ? 126 VAL A N 1 ATOM 954 C CA . VAL A 1 126 ? -7.461 -1.583 20.226 1.00 39.46 ? 126 VAL A CA 1 ATOM 955 C C . VAL A 1 126 ? -6.429 -0.780 21.009 1.00 40.27 ? 126 VAL A C 1 ATOM 956 O O . VAL A 1 126 ? -5.335 -0.533 20.536 1.00 40.76 ? 126 VAL A O 1 ATOM 957 C CB . VAL A 1 126 ? -7.324 -3.111 20.614 1.00 39.42 ? 126 VAL A CB 1 ATOM 958 C CG1 . VAL A 1 126 ? -7.358 -3.286 22.131 1.00 39.21 ? 126 VAL A CG1 1 ATOM 959 C CG2 . VAL A 1 126 ? -8.401 -3.951 20.022 1.00 36.35 ? 126 VAL A CG2 1 ATOM 960 N N . ARG A 1 127 ? -6.802 -0.371 22.210 1.00 40.75 ? 127 ARG A N 1 ATOM 961 C CA . ARG A 1 127 ? -5.936 0.418 23.068 1.00 41.66 ? 127 ARG A CA 1 ATOM 962 C C . ARG A 1 127 ? -6.134 -0.150 24.492 1.00 41.49 ? 127 ARG A C 1 ATOM 963 O O . ARG A 1 127 ? -7.151 -0.829 24.767 1.00 42.30 ? 127 ARG A O 1 ATOM 964 C CB . ARG A 1 127 ? -6.294 1.934 22.950 1.00 41.89 ? 127 ARG A CB 1 ATOM 965 C CG . ARG A 1 127 ? -6.955 2.582 24.193 1.00 41.39 ? 127 ARG A CG 1 ATOM 966 C CD . ARG A 1 127 ? -8.141 3.572 23.916 1.00 41.30 ? 127 ARG A CD 1 ATOM 967 N NE . ARG A 1 127 ? -7.770 4.984 24.010 1.00 40.25 ? 127 ARG A NE 1 ATOM 968 C CZ . ARG A 1 127 ? -8.518 5.962 24.538 1.00 38.86 ? 127 ARG A CZ 1 ATOM 969 N NH1 . ARG A 1 127 ? -9.693 5.719 25.089 1.00 36.29 ? 127 ARG A NH1 1 ATOM 970 N NH2 . ARG A 1 127 ? -8.057 7.206 24.546 1.00 38.70 ? 127 ARG A NH2 1 ATOM 971 N N . PHE A 1 128 ? -5.168 0.056 25.379 1.00 40.45 ? 128 PHE A N 1 ATOM 972 C CA . PHE A 1 128 ? -5.461 -0.126 26.806 1.00 40.05 ? 128 PHE A CA 1 ATOM 973 C C . PHE A 1 128 ? -5.479 1.246 27.414 1.00 39.92 ? 128 PHE A C 1 ATOM 974 O O . PHE A 1 128 ? -4.613 2.078 27.152 1.00 41.01 ? 128 PHE A O 1 ATOM 975 C CB . PHE A 1 128 ? -4.474 -1.038 27.525 1.00 39.27 ? 128 PHE A CB 1 ATOM 976 C CG . PHE A 1 128 ? -4.904 -1.387 28.905 1.00 39.41 ? 128 PHE A CG 1 ATOM 977 C CD1 . PHE A 1 128 ? -5.667 -2.537 29.141 1.00 40.43 ? 128 PHE A CD1 1 ATOM 978 C CD2 . PHE A 1 128 ? -4.582 -0.566 29.981 1.00 37.53 ? 128 PHE A CD2 1 ATOM 979 C CE1 . PHE A 1 128 ? -6.087 -2.860 30.449 1.00 39.30 ? 128 PHE A CE1 1 ATOM 980 C CE2 . PHE A 1 128 ? -5.009 -0.873 31.273 1.00 38.36 ? 128 PHE A CE2 1 ATOM 981 C CZ . PHE A 1 128 ? -5.767 -2.026 31.512 1.00 37.86 ? 128 PHE A CZ 1 ATOM 982 N N . TRP A 1 129 ? -6.489 1.504 28.203 1.00 39.70 ? 129 TRP A N 1 ATOM 983 C CA . TRP A 1 129 ? -6.761 2.866 28.640 1.00 39.32 ? 129 TRP A CA 1 ATOM 984 C C . TRP A 1 129 ? -7.421 2.796 30.000 1.00 38.15 ? 129 TRP A C 1 ATOM 985 O O . TRP A 1 129 ? -8.456 2.170 30.145 1.00 37.16 ? 129 TRP A O 1 ATOM 986 C CB . TRP A 1 129 ? -7.689 3.601 27.646 1.00 39.83 ? 129 TRP A CB 1 ATOM 987 C CG . TRP A 1 129 ? -7.873 5.037 28.004 1.00 41.37 ? 129 TRP A CG 1 ATOM 988 C CD1 . TRP A 1 129 ? -9.031 5.659 28.438 1.00 42.51 ? 129 TRP A CD1 1 ATOM 989 C CD2 . TRP A 1 129 ? -6.850 6.034 28.032 1.00 42.56 ? 129 TRP A CD2 1 ATOM 990 N NE1 . TRP A 1 129 ? -8.789 6.985 28.705 1.00 42.19 ? 129 TRP A NE1 1 ATOM 991 C CE2 . TRP A 1 129 ? -7.461 7.247 28.470 1.00 42.60 ? 129 TRP A CE2 1 ATOM 992 C CE3 . TRP A 1 129 ? -5.470 6.023 27.736 1.00 42.68 ? 129 TRP A CE3 1 ATOM 993 C CZ2 . TRP A 1 129 ? -6.745 8.439 28.595 1.00 41.92 ? 129 TRP A CZ2 1 ATOM 994 C CZ3 . TRP A 1 129 ? -4.749 7.210 27.868 1.00 42.57 ? 129 TRP A CZ3 1 ATOM 995 C CH2 . TRP A 1 129 ? -5.394 8.405 28.291 1.00 42.62 ? 129 TRP A CH2 1 ATOM 996 N N . GLY A 1 130 ? -6.794 3.435 30.978 1.00 37.99 ? 130 GLY A N 1 ATOM 997 C CA . GLY A 1 130 ? -7.280 3.475 32.343 1.00 37.74 ? 130 GLY A CA 1 ATOM 998 C C . GLY A 1 130 ? -7.130 2.112 32.967 1.00 38.11 ? 130 GLY A C 1 ATOM 999 O O . GLY A 1 130 ? -6.027 1.718 33.375 1.00 37.38 ? 130 GLY A O 1 ATOM 1000 N N . THR A 1 131 ? -8.245 1.380 33.022 1.00 38.87 ? 131 THR A N 1 ATOM 1001 C CA . THR A 1 131 ? -8.227 0.044 33.621 1.00 39.49 ? 131 THR A CA 1 ATOM 1002 C C . THR A 1 131 ? -8.793 -1.090 32.767 1.00 40.01 ? 131 THR A C 1 ATOM 1003 O O . THR A 1 131 ? -9.117 -2.142 33.322 1.00 41.17 ? 131 THR A O 1 ATOM 1004 C CB . THR A 1 131 ? -8.925 -0.020 35.015 1.00 39.31 ? 131 THR A CB 1 ATOM 1005 O OG1 . THR A 1 131 ? -10.347 -0.134 34.842 1.00 38.65 ? 131 THR A OG1 1 ATOM 1006 C CG2 . THR A 1 131 ? -8.549 1.156 35.894 1.00 38.02 ? 131 THR A CG2 1 ATOM 1007 N N . SER A 1 132 ? -8.919 -0.895 31.452 1.00 39.82 ? 132 SER A N 1 ATOM 1008 C CA . SER A 1 132 ? -9.459 -1.940 30.567 1.00 39.28 ? 132 SER A CA 1 ATOM 1009 C C . SER A 1 132 ? -8.971 -1.803 29.119 1.00 39.55 ? 132 SER A C 1 ATOM 1010 O O . SER A 1 132 ? -8.485 -0.730 28.708 1.00 40.13 ? 132 SER A O 1 ATOM 1011 C CB . SER A 1 132 ? -10.993 -2.057 30.682 1.00 38.63 ? 132 SER A CB 1 ATOM 1012 O OG . SER A 1 132 ? -11.668 -0.990 30.064 1.00 38.75 ? 132 SER A OG 1 ATOM 1013 N N . TRP A 1 133 ? -9.020 -2.905 28.379 1.00 39.27 ? 133 TRP A N 1 ATOM 1014 C CA . TRP A 1 133 ? -8.764 -2.877 26.950 1.00 39.65 ? 133 TRP A CA 1 ATOM 1015 C C . TRP A 1 133 ? -9.983 -2.293 26.245 1.00 39.59 ? 133 TRP A C 1 ATOM 1016 O O . TRP A 1 133 ? -11.113 -2.520 26.666 1.00 39.69 ? 133 TRP A O 1 ATOM 1017 C CB . TRP A 1 133 ? -8.507 -4.293 26.424 1.00 39.49 ? 133 TRP A CB 1 ATOM 1018 C CG . TRP A 1 133 ? -7.376 -4.987 27.045 1.00 39.57 ? 133 TRP A CG 1 ATOM 1019 C CD1 . TRP A 1 133 ? -7.391 -5.696 28.220 1.00 40.41 ? 133 TRP A CD1 1 ATOM 1020 C CD2 . TRP A 1 133 ? -6.038 -5.062 26.549 1.00 39.75 ? 133 TRP A CD2 1 ATOM 1021 N NE1 . TRP A 1 133 ? -6.141 -6.206 28.482 1.00 39.66 ? 133 TRP A NE1 1 ATOM 1022 C CE2 . TRP A 1 133 ? -5.291 -5.835 27.471 1.00 39.59 ? 133 TRP A CE2 1 ATOM 1023 C CE3 . TRP A 1 133 ? -5.388 -4.534 25.430 1.00 40.75 ? 133 TRP A CE3 1 ATOM 1024 C CZ2 . TRP A 1 133 ? -3.928 -6.105 27.296 1.00 39.42 ? 133 TRP A CZ2 1 ATOM 1025 C CZ3 . TRP A 1 133 ? -4.013 -4.805 25.256 1.00 40.63 ? 133 TRP A CZ3 1 ATOM 1026 C CH2 . TRP A 1 133 ? -3.309 -5.589 26.187 1.00 40.06 ? 133 TRP A CH2 1 ATOM 1027 N N . GLN A 1 134 ? -9.764 -1.555 25.169 1.00 39.79 ? 134 GLN A N 1 ATOM 1028 C CA . GLN A 1 134 ? -10.879 -0.931 24.431 1.00 40.73 ? 134 GLN A CA 1 ATOM 1029 C C . GLN A 1 134 ? -10.692 -1.088 22.922 1.00 40.60 ? 134 GLN A C 1 ATOM 1030 O O . GLN A 1 134 ? -9.593 -0.959 22.406 1.00 40.49 ? 134 GLN A O 1 ATOM 1031 C CB . GLN A 1 134 ? -11.014 0.581 24.756 1.00 40.09 ? 134 GLN A CB 1 ATOM 1032 C CG . GLN A 1 134 ? -11.184 0.969 26.255 1.00 41.62 ? 134 GLN A CG 1 ATOM 1033 C CD . GLN A 1 134 ? -11.247 2.499 26.487 1.00 42.33 ? 134 GLN A CD 1 ATOM 1034 O OE1 . GLN A 1 134 ? -10.892 3.291 25.612 1.00 46.64 ? 134 GLN A OE1 1 ATOM 1035 N NE2 . GLN A 1 134 ? -11.691 2.904 27.660 1.00 42.28 ? 134 GLN A NE2 1 ATOM 1036 N N . THR A 1 135 ? -11.772 -1.343 22.204 1.00 41.15 ? 135 THR A N 1 ATOM 1037 C CA . THR A 1 135 ? -11.703 -1.257 20.764 1.00 40.95 ? 135 THR A CA 1 ATOM 1038 C C . THR A 1 135 ? -11.901 0.196 20.459 1.00 41.09 ? 135 THR A C 1 ATOM 1039 O O . THR A 1 135 ? -12.772 0.833 21.024 1.00 41.18 ? 135 THR A O 1 ATOM 1040 C CB . THR A 1 135 ? -12.825 -2.022 20.086 1.00 41.25 ? 135 THR A CB 1 ATOM 1041 O OG1 . THR A 1 135 ? -14.054 -1.630 20.682 1.00 39.94 ? 135 THR A OG1 1 ATOM 1042 C CG2 . THR A 1 135 ? -12.639 -3.542 20.260 1.00 41.42 ? 135 THR A CG2 1 ATOM 1043 N N . VAL A 1 136 ? -11.075 0.695 19.551 1.00 41.43 ? 136 VAL A N 1 ATOM 1044 C CA . VAL A 1 136 ? -11.123 2.046 18.998 1.00 41.50 ? 136 VAL A CA 1 ATOM 1045 C C . VAL A 1 136 ? -12.344 2.256 18.054 1.00 41.49 ? 136 VAL A C 1 ATOM 1046 O O . VAL A 1 136 ? -12.680 1.353 17.282 1.00 42.33 ? 136 VAL A O 1 ATOM 1047 C CB . VAL A 1 136 ? -9.752 2.254 18.318 1.00 41.27 ? 136 VAL A CB 1 ATOM 1048 C CG1 . VAL A 1 136 ? -9.860 2.745 16.913 1.00 42.03 ? 136 VAL A CG1 1 ATOM 1049 C CG2 . VAL A 1 136 ? -8.909 3.130 19.168 1.00 40.89 ? 136 VAL A CG2 1 ATOM 1050 N N . PRO A 1 137 ? -13.034 3.423 18.108 1.00 41.24 ? 137 PRO A N 1 ATOM 1051 C CA . PRO A 1 137 ? -14.225 3.522 17.203 1.00 40.67 ? 137 PRO A CA 1 ATOM 1052 C C . PRO A 1 137 ? -13.990 3.075 15.748 1.00 40.54 ? 137 PRO A C 1 ATOM 1053 O O . PRO A 1 137 ? -12.909 3.313 15.168 1.00 40.16 ? 137 PRO A O 1 ATOM 1054 C CB . PRO A 1 137 ? -14.630 5.000 17.289 1.00 40.25 ? 137 PRO A CB 1 ATOM 1055 C CG . PRO A 1 137 ? -14.194 5.416 18.690 1.00 39.88 ? 137 PRO A CG 1 ATOM 1056 C CD . PRO A 1 137 ? -12.864 4.654 18.914 1.00 41.41 ? 137 PRO A CD 1 ATOM 1057 N N . GLY A 1 138 ? -14.997 2.386 15.198 1.00 40.71 ? 138 GLY A N 1 ATOM 1058 C CA . GLY A 1 138 ? -14.935 1.777 13.857 1.00 40.24 ? 138 GLY A CA 1 ATOM 1059 C C . GLY A 1 138 ? -13.951 0.619 13.662 1.00 40.42 ? 138 GLY A C 1 ATOM 1060 O O . GLY A 1 138 ? -13.609 0.282 12.520 1.00 40.09 ? 138 GLY A O 1 ATOM 1061 N N . ALA A 1 139 ? -13.450 0.038 14.764 1.00 40.07 ? 139 ALA A N 1 ATOM 1062 C CA . ALA A 1 139 ? -12.718 -1.227 14.699 1.00 39.38 ? 139 ALA A CA 1 ATOM 1063 C C . ALA A 1 139 ? -13.748 -2.286 14.282 1.00 39.32 ? 139 ALA A C 1 ATOM 1064 O O . ALA A 1 139 ? -14.952 -2.064 14.461 1.00 39.57 ? 139 ALA A O 1 ATOM 1065 C CB . ALA A 1 139 ? -12.120 -1.546 16.032 1.00 38.95 ? 139 ALA A CB 1 ATOM 1066 N N . PRO A 1 140 ? -13.308 -3.424 13.710 1.00 39.23 ? 140 PRO A N 1 ATOM 1067 C CA . PRO A 1 140 ? -14.313 -4.461 13.342 1.00 39.58 ? 140 PRO A CA 1 ATOM 1068 C C . PRO A 1 140 ? -15.136 -4.945 14.554 1.00 39.59 ? 140 PRO A C 1 ATOM 1069 O O . PRO A 1 140 ? -14.583 -5.147 15.645 1.00 40.26 ? 140 PRO A O 1 ATOM 1070 C CB . PRO A 1 140 ? -13.455 -5.610 12.824 1.00 39.38 ? 140 PRO A CB 1 ATOM 1071 C CG . PRO A 1 140 ? -12.186 -4.931 12.367 1.00 40.01 ? 140 PRO A CG 1 ATOM 1072 C CD . PRO A 1 140 ? -11.941 -3.853 13.386 1.00 39.00 ? 140 PRO A CD 1 ATOM 1073 N N . SER A 1 141 ? -16.436 -5.123 14.371 1.00 39.00 ? 141 SER A N 1 ATOM 1074 C CA . SER A 1 141 ? -17.291 -5.512 15.465 1.00 38.73 ? 141 SER A CA 1 ATOM 1075 C C . SER A 1 141 ? -16.990 -6.897 16.036 1.00 38.37 ? 141 SER A C 1 ATOM 1076 O O . SER A 1 141 ? -17.389 -7.192 17.157 1.00 38.24 ? 141 SER A O 1 ATOM 1077 C CB . SER A 1 141 ? -18.732 -5.444 15.025 1.00 39.05 ? 141 SER A CB 1 ATOM 1078 O OG . SER A 1 141 ? -18.992 -6.496 14.125 1.00 41.09 ? 141 SER A OG 1 ATOM 1079 N N . TRP A 1 142 ? -16.294 -7.748 15.291 1.00 38.18 ? 142 TRP A N 1 ATOM 1080 C CA . TRP A 1 142 ? -15.984 -9.067 15.807 1.00 38.60 ? 142 TRP A CA 1 ATOM 1081 C C . TRP A 1 142 ? -14.999 -9.049 16.983 1.00 39.51 ? 142 TRP A C 1 ATOM 1082 O O . TRP A 1 142 ? -14.956 -9.997 17.785 1.00 40.38 ? 142 TRP A O 1 ATOM 1083 C CB . TRP A 1 142 ? -15.557 -10.026 14.709 1.00 38.29 ? 142 TRP A CB 1 ATOM 1084 C CG . TRP A 1 142 ? -14.429 -9.595 13.920 1.00 38.41 ? 142 TRP A CG 1 ATOM 1085 C CD1 . TRP A 1 142 ? -14.475 -8.995 12.697 1.00 39.97 ? 142 TRP A CD1 1 ATOM 1086 C CD2 . TRP A 1 142 ? -13.050 -9.736 14.250 1.00 37.98 ? 142 TRP A CD2 1 ATOM 1087 N NE1 . TRP A 1 142 ? -13.204 -8.737 12.241 1.00 38.15 ? 142 TRP A NE1 1 ATOM 1088 C CE2 . TRP A 1 142 ? -12.306 -9.188 13.170 1.00 38.02 ? 142 TRP A CE2 1 ATOM 1089 C CE3 . TRP A 1 142 ? -12.362 -10.276 15.352 1.00 39.56 ? 142 TRP A CE3 1 ATOM 1090 C CZ2 . TRP A 1 142 ? -10.903 -9.162 13.150 1.00 38.18 ? 142 TRP A CZ2 1 ATOM 1091 C CZ3 . TRP A 1 142 ? -10.964 -10.249 15.350 1.00 40.03 ? 142 TRP A CZ3 1 ATOM 1092 C CH2 . TRP A 1 142 ? -10.246 -9.675 14.247 1.00 40.90 ? 142 TRP A CH2 1 ATOM 1093 N N . LEU A 1 143 ? -14.236 -7.962 17.096 1.00 39.76 ? 143 LEU A N 1 ATOM 1094 C CA . LEU A 1 143 ? -13.363 -7.710 18.239 1.00 39.79 ? 143 LEU A CA 1 ATOM 1095 C C . LEU A 1 143 ? -14.074 -7.504 19.574 1.00 40.61 ? 143 LEU A C 1 ATOM 1096 O O . LEU A 1 143 ? -13.479 -7.779 20.634 1.00 41.42 ? 143 LEU A O 1 ATOM 1097 C CB . LEU A 1 143 ? -12.474 -6.519 17.980 1.00 39.01 ? 143 LEU A CB 1 ATOM 1098 C CG . LEU A 1 143 ? -11.215 -6.886 17.213 1.00 39.62 ? 143 LEU A CG 1 ATOM 1099 C CD1 . LEU A 1 143 ? -10.460 -5.628 16.892 1.00 38.59 ? 143 LEU A CD1 1 ATOM 1100 C CD2 . LEU A 1 143 ? -10.351 -7.815 18.041 1.00 38.58 ? 143 LEU A CD2 1 ATOM 1101 N N . ASP A 1 144 ? -15.333 -7.057 19.547 1.00 40.45 ? 144 ASP A N 1 ATOM 1102 C CA . ASP A 1 144 ? -16.031 -6.710 20.790 1.00 40.21 ? 144 ASP A CA 1 ATOM 1103 C C . ASP A 1 144 ? -16.042 -7.854 21.799 1.00 39.24 ? 144 ASP A C 1 ATOM 1104 O O . ASP A 1 144 ? -15.615 -7.670 22.928 1.00 39.21 ? 144 ASP A O 1 ATOM 1105 C CB . ASP A 1 144 ? -17.454 -6.180 20.534 1.00 40.69 ? 144 ASP A CB 1 ATOM 1106 C CG . ASP A 1 144 ? -17.469 -4.836 19.818 1.00 43.64 ? 144 ASP A CG 1 ATOM 1107 O OD1 . ASP A 1 144 ? -16.461 -4.077 19.888 1.00 45.64 ? 144 ASP A OD1 1 ATOM 1108 O OD2 . ASP A 1 144 ? -18.512 -4.536 19.183 1.00 47.77 ? 144 ASP A OD2 1 ATOM 1109 N N . LEU A 1 145 ? -16.508 -9.024 21.376 1.00 38.33 ? 145 LEU A N 1 ATOM 1110 C CA . LEU A 1 145 ? -16.518 -10.193 22.228 1.00 37.83 ? 145 LEU A CA 1 ATOM 1111 C C . LEU A 1 145 ? -15.132 -10.674 22.752 1.00 37.64 ? 145 LEU A C 1 ATOM 1112 O O . LEU A 1 145 ? -14.985 -10.905 23.958 1.00 38.06 ? 145 LEU A O 1 ATOM 1113 C CB . LEU A 1 145 ? -17.312 -11.333 21.596 1.00 37.09 ? 145 LEU A CB 1 ATOM 1114 C CG . LEU A 1 145 ? -17.827 -12.273 22.689 1.00 37.73 ? 145 LEU A CG 1 ATOM 1115 C CD1 . LEU A 1 145 ? -18.817 -11.589 23.659 1.00 34.82 ? 145 LEU A CD1 1 ATOM 1116 C CD2 . LEU A 1 145 ? -18.419 -13.511 22.042 1.00 39.51 ? 145 LEU A CD2 1 ATOM 1117 N N . PRO A 1 146 ? -14.129 -10.841 21.872 1.00 37.41 ? 146 PRO A N 1 ATOM 1118 C CA . PRO A 1 146 ? -12.818 -11.190 22.412 1.00 37.63 ? 146 PRO A CA 1 ATOM 1119 C C . PRO A 1 146 ? -12.297 -10.205 23.456 1.00 38.26 ? 146 PRO A C 1 ATOM 1120 O O . PRO A 1 146 ? -11.628 -10.605 24.416 1.00 38.46 ? 146 PRO A O 1 ATOM 1121 C CB . PRO A 1 146 ? -11.912 -11.173 21.187 1.00 37.39 ? 146 PRO A CB 1 ATOM 1122 C CG . PRO A 1 146 ? -12.794 -11.224 20.022 1.00 36.98 ? 146 PRO A CG 1 ATOM 1123 C CD . PRO A 1 146 ? -14.134 -10.791 20.402 1.00 37.23 ? 146 PRO A CD 1 ATOM 1124 N N . ILE A 1 147 ? -12.596 -8.928 23.263 1.00 38.84 ? 147 ILE A N 1 ATOM 1125 C CA . ILE A 1 147 ? -12.050 -7.867 24.102 1.00 39.52 ? 147 ILE A CA 1 ATOM 1126 C C . ILE A 1 147 ? -12.820 -7.756 25.437 1.00 39.83 ? 147 ILE A C 1 ATOM 1127 O O . ILE A 1 147 ? -12.258 -7.467 26.502 1.00 40.21 ? 147 ILE A O 1 ATOM 1128 C CB . ILE A 1 147 ? -11.969 -6.533 23.294 1.00 39.81 ? 147 ILE A CB 1 ATOM 1129 C CG1 . ILE A 1 147 ? -10.843 -6.602 22.278 1.00 39.03 ? 147 ILE A CG1 1 ATOM 1130 C CG2 . ILE A 1 147 ? -11.763 -5.313 24.184 1.00 40.71 ? 147 ILE A CG2 1 ATOM 1131 C CD1 . ILE A 1 147 ? -9.495 -6.302 22.874 1.00 41.71 ? 147 ILE A CD1 1 ATOM 1132 N N . LYS A 1 148 ? -14.108 -8.023 25.393 1.00 40.26 ? 148 LYS A N 1 ATOM 1133 C CA . LYS A 1 148 ? -14.870 -8.108 26.622 1.00 40.54 ? 148 LYS A CA 1 ATOM 1134 C C . LYS A 1 148 ? -14.390 -9.319 27.417 1.00 40.62 ? 148 LYS A C 1 ATOM 1135 O O . LYS A 1 148 ? -14.300 -9.251 28.644 1.00 41.04 ? 148 LYS A O 1 ATOM 1136 C CB . LYS A 1 148 ? -16.356 -8.169 26.312 1.00 40.14 ? 148 LYS A CB 1 ATOM 1137 C CG . LYS A 1 148 ? -17.211 -8.782 27.370 1.00 42.48 ? 148 LYS A CG 1 ATOM 1138 C CD . LYS A 1 148 ? -17.470 -7.850 28.530 1.00 44.08 ? 148 LYS A CD 1 ATOM 1139 C CE . LYS A 1 148 ? -18.459 -8.526 29.488 1.00 45.09 ? 148 LYS A CE 1 ATOM 1140 N NZ . LYS A 1 148 ? -18.276 -8.006 30.874 1.00 45.59 ? 148 LYS A NZ 1 ATOM 1141 N N . VAL A 1 149 ? -14.049 -10.406 26.721 1.00 40.31 ? 149 VAL A N 1 ATOM 1142 C CA . VAL A 1 149 ? -13.610 -11.639 27.388 1.00 40.01 ? 149 VAL A CA 1 ATOM 1143 C C . VAL A 1 149 ? -12.233 -11.498 28.065 1.00 40.17 ? 149 VAL A C 1 ATOM 1144 O O . VAL A 1 149 ? -12.014 -11.981 29.193 1.00 39.70 ? 149 VAL A O 1 ATOM 1145 C CB . VAL A 1 149 ? -13.686 -12.858 26.430 1.00 39.96 ? 149 VAL A CB 1 ATOM 1146 C CG1 . VAL A 1 149 ? -12.620 -13.899 26.755 1.00 39.67 ? 149 VAL A CG1 1 ATOM 1147 C CG2 . VAL A 1 149 ? -15.080 -13.473 26.479 1.00 38.47 ? 149 VAL A CG2 1 ATOM 1148 N N . LEU A 1 150 ? -11.330 -10.806 27.372 1.00 40.18 ? 150 LEU A N 1 ATOM 1149 C CA . LEU A 1 150 ? -9.992 -10.507 27.869 1.00 40.05 ? 150 LEU A CA 1 ATOM 1150 C C . LEU A 1 150 ? -10.055 -9.586 29.076 1.00 41.05 ? 150 LEU A C 1 ATOM 1151 O O . LEU A 1 150 ? -9.204 -9.674 29.976 1.00 41.71 ? 150 LEU A O 1 ATOM 1152 C CB . LEU A 1 150 ? -9.188 -9.818 26.772 1.00 39.90 ? 150 LEU A CB 1 ATOM 1153 C CG . LEU A 1 150 ? -7.820 -9.199 27.022 1.00 36.26 ? 150 LEU A CG 1 ATOM 1154 C CD1 . LEU A 1 150 ? -6.832 -10.269 27.384 1.00 31.64 ? 150 LEU A CD1 1 ATOM 1155 C CD2 . LEU A 1 150 ? -7.420 -8.501 25.733 1.00 33.28 ? 150 LEU A CD2 1 ATOM 1156 N N . ASN A 1 151 ? -11.044 -8.687 29.068 1.00 40.90 ? 151 ASN A N 1 ATOM 1157 C CA . ASN A 1 151 ? -11.246 -7.763 30.152 1.00 40.70 ? 151 ASN A CA 1 ATOM 1158 C C . ASN A 1 151 ? -11.603 -8.459 31.453 1.00 41.03 ? 151 ASN A C 1 ATOM 1159 O O . ASN A 1 151 ? -11.221 -8.008 32.506 1.00 40.99 ? 151 ASN A O 1 ATOM 1160 C CB . ASN A 1 151 ? -12.289 -6.722 29.771 1.00 40.87 ? 151 ASN A CB 1 ATOM 1161 C CG . ASN A 1 151 ? -11.658 -5.465 29.205 1.00 42.46 ? 151 ASN A CG 1 ATOM 1162 O OD1 . ASN A 1 151 ? -10.552 -5.090 29.608 1.00 44.55 ? 151 ASN A OD1 1 ATOM 1163 N ND2 . ASN A 1 151 ? -12.324 -4.833 28.245 1.00 42.71 ? 151 ASN A ND2 1 ATOM 1164 N N . ALA A 1 152 ? -12.326 -9.569 31.358 1.00 41.32 ? 152 ALA A N 1 ATOM 1165 C CA . ALA A 1 152 ? -12.717 -10.383 32.492 1.00 41.58 ? 152 ALA A CA 1 ATOM 1166 C C . ALA A 1 152 ? -11.507 -11.015 33.246 1.00 41.98 ? 152 ALA A C 1 ATOM 1167 O O . ALA A 1 152 ? -11.678 -11.632 34.304 1.00 41.51 ? 152 ALA A O 1 ATOM 1168 C CB . ALA A 1 152 ? -13.701 -11.473 32.012 1.00 41.32 ? 152 ALA A CB 1 ATOM 1169 N N . ASP A 1 153 ? -10.304 -10.856 32.685 1.00 42.53 ? 153 ASP A N 1 ATOM 1170 C CA . ASP A 1 153 ? -9.059 -11.402 33.249 1.00 43.14 ? 153 ASP A CA 1 ATOM 1171 C C . ASP A 1 153 ? -8.377 -10.300 34.036 1.00 42.59 ? 153 ASP A C 1 ATOM 1172 O O . ASP A 1 153 ? -7.620 -9.516 33.477 1.00 41.91 ? 153 ASP A O 1 ATOM 1173 C CB . ASP A 1 153 ? -8.130 -11.943 32.125 1.00 43.77 ? 153 ASP A CB 1 ATOM 1174 C CG . ASP A 1 153 ? -6.715 -12.325 32.629 1.00 45.70 ? 153 ASP A CG 1 ATOM 1175 O OD1 . ASP A 1 153 ? -6.477 -12.281 33.864 1.00 46.31 ? 153 ASP A OD1 1 ATOM 1176 O OD2 . ASP A 1 153 ? -5.841 -12.665 31.773 1.00 47.35 ? 153 ASP A OD2 1 ATOM 1177 N N . GLN A 1 154 ? -8.651 -10.270 35.337 1.00 43.01 ? 154 GLN A N 1 ATOM 1178 C CA . GLN A 1 154 ? -8.184 -9.207 36.233 1.00 43.23 ? 154 GLN A CA 1 ATOM 1179 C C . GLN A 1 154 ? -6.694 -9.194 36.515 1.00 42.58 ? 154 GLN A C 1 ATOM 1180 O O . GLN A 1 154 ? -6.113 -8.130 36.604 1.00 42.86 ? 154 GLN A O 1 ATOM 1181 C CB . GLN A 1 154 ? -8.955 -9.212 37.551 1.00 43.59 ? 154 GLN A CB 1 ATOM 1182 C CG . GLN A 1 154 ? -10.004 -8.115 37.642 1.00 47.01 ? 154 GLN A CG 1 ATOM 1183 C CD . GLN A 1 154 ? -9.436 -6.694 37.384 1.00 51.17 ? 154 GLN A CD 1 ATOM 1184 O OE1 . GLN A 1 154 ? -8.484 -6.230 38.067 1.00 48.46 ? 154 GLN A OE1 1 ATOM 1185 N NE2 . GLN A 1 154 ? -10.030 -6.000 36.384 1.00 50.92 ? 154 GLN A NE2 1 ATOM 1186 N N . GLY A 1 155 ? -6.073 -10.359 36.645 1.00 42.12 ? 155 GLY A N 1 ATOM 1187 C CA . GLY A 1 155 ? -4.626 -10.425 36.825 1.00 41.81 ? 155 GLY A CA 1 ATOM 1188 C C . GLY A 1 155 ? -3.822 -9.830 35.673 1.00 41.67 ? 155 GLY A C 1 ATOM 1189 O O . GLY A 1 155 ? -2.780 -9.223 35.893 1.00 42.04 ? 155 GLY A O 1 ATOM 1190 N N . THR A 1 156 ? -4.275 -10.026 34.437 1.00 41.54 ? 156 THR A N 1 ATOM 1191 C CA . THR A 1 156 ? -3.601 -9.422 33.285 1.00 41.11 ? 156 THR A CA 1 ATOM 1192 C C . THR A 1 156 ? -3.817 -7.904 33.282 1.00 41.37 ? 156 THR A C 1 ATOM 1193 O O . THR A 1 156 ? -2.891 -7.142 32.997 1.00 41.77 ? 156 THR A O 1 ATOM 1194 C CB . THR A 1 156 ? -4.087 -10.048 31.942 1.00 41.40 ? 156 THR A CB 1 ATOM 1195 O OG1 . THR A 1 156 ? -3.562 -11.371 31.807 1.00 41.05 ? 156 THR A OG1 1 ATOM 1196 C CG2 . THR A 1 156 ? -3.678 -9.226 30.730 1.00 38.95 ? 156 THR A CG2 1 ATOM 1197 N N . SER A 1 157 ? -5.030 -7.466 33.605 1.00 40.76 ? 157 SER A N 1 ATOM 1198 C CA . SER A 1 157 ? -5.340 -6.056 33.586 1.00 40.73 ? 157 SER A CA 1 ATOM 1199 C C . SER A 1 157 ? -4.690 -5.297 34.735 1.00 40.53 ? 157 SER A C 1 ATOM 1200 O O . SER A 1 157 ? -4.311 -4.131 34.576 1.00 42.14 ? 157 SER A O 1 ATOM 1201 C CB . SER A 1 157 ? -6.847 -5.805 33.562 1.00 41.06 ? 157 SER A CB 1 ATOM 1202 O OG . SER A 1 157 ? -7.129 -4.515 34.089 1.00 41.37 ? 157 SER A OG 1 ATOM 1203 N N . ALA A 1 158 ? -4.555 -5.939 35.886 1.00 39.43 ? 158 ALA A N 1 ATOM 1204 C CA . ALA A 1 158 ? -3.852 -5.341 36.997 1.00 37.81 ? 158 ALA A CA 1 ATOM 1205 C C . ALA A 1 158 ? -2.380 -5.295 36.585 1.00 37.48 ? 158 ALA A C 1 ATOM 1206 O O . ALA A 1 158 ? -1.700 -4.284 36.821 1.00 37.77 ? 158 ALA A O 1 ATOM 1207 C CB . ALA A 1 158 ? -4.064 -6.155 38.276 1.00 36.90 ? 158 ALA A CB 1 ATOM 1208 N N . THR A 1 159 ? -1.889 -6.355 35.938 1.00 36.19 ? 159 THR A N 1 ATOM 1209 C CA . THR A 1 159 ? -0.499 -6.345 35.505 1.00 36.43 ? 159 THR A CA 1 ATOM 1210 C C . THR A 1 159 ? -0.194 -5.166 34.539 1.00 37.10 ? 159 THR A C 1 ATOM 1211 O O . THR A 1 159 ? 0.806 -4.460 34.711 1.00 37.33 ? 159 THR A O 1 ATOM 1212 C CB . THR A 1 159 ? -0.015 -7.725 34.966 1.00 36.20 ? 159 THR A CB 1 ATOM 1213 O OG1 . THR A 1 159 ? 0.091 -8.636 36.054 1.00 36.16 ? 159 THR A OG1 1 ATOM 1214 C CG2 . THR A 1 159 ? 1.348 -7.639 34.293 1.00 33.39 ? 159 THR A CG2 1 ATOM 1215 N N . VAL A 1 160 ? -1.059 -4.938 33.557 1.00 37.65 ? 160 VAL A N 1 ATOM 1216 C CA . VAL A 1 160 ? -0.828 -3.886 32.552 1.00 38.28 ? 160 VAL A CA 1 ATOM 1217 C C . VAL A 1 160 ? -0.844 -2.487 33.202 1.00 39.12 ? 160 VAL A C 1 ATOM 1218 O O . VAL A 1 160 ? 0.045 -1.675 32.941 1.00 38.88 ? 160 VAL A O 1 ATOM 1219 C CB . VAL A 1 160 ? -1.801 -4.028 31.332 1.00 37.69 ? 160 VAL A CB 1 ATOM 1220 C CG1 . VAL A 1 160 ? -1.840 -2.804 30.514 1.00 36.61 ? 160 VAL A CG1 1 ATOM 1221 C CG2 . VAL A 1 160 ? -1.370 -5.178 30.464 1.00 37.99 ? 160 VAL A CG2 1 ATOM 1222 N N . GLN A 1 161 ? -1.824 -2.225 34.068 1.00 40.19 ? 161 GLN A N 1 ATOM 1223 C CA . GLN A 1 161 ? -1.896 -0.945 34.798 1.00 41.03 ? 161 GLN A CA 1 ATOM 1224 C C . GLN A 1 161 ? -0.616 -0.695 35.561 1.00 42.21 ? 161 GLN A C 1 ATOM 1225 O O . GLN A 1 161 ? -0.060 0.408 35.485 1.00 42.76 ? 161 GLN A O 1 ATOM 1226 C CB . GLN A 1 161 ? -3.057 -0.932 35.790 1.00 40.69 ? 161 GLN A CB 1 ATOM 1227 C CG . GLN A 1 161 ? -4.387 -0.864 35.158 1.00 39.25 ? 161 GLN A CG 1 ATOM 1228 C CD . GLN A 1 161 ? -5.464 -1.075 36.152 1.00 39.60 ? 161 GLN A CD 1 ATOM 1229 O OE1 . GLN A 1 161 ? -5.709 -0.233 37.019 1.00 40.79 ? 161 GLN A OE1 1 ATOM 1230 N NE2 . GLN A 1 161 ? -6.135 -2.213 36.048 1.00 40.60 ? 161 GLN A NE2 1 ATOM 1231 N N . MET A 1 162 ? -0.159 -1.723 36.291 1.00 42.95 ? 162 MET A N 1 ATOM 1232 C CA . MET A 1 162 ? 1.088 -1.671 37.052 1.00 44.00 ? 162 MET A CA 1 ATOM 1233 C C . MET A 1 162 ? 2.224 -1.192 36.176 1.00 43.23 ? 162 MET A C 1 ATOM 1234 O O . MET A 1 162 ? 2.957 -0.296 36.555 1.00 43.98 ? 162 MET A O 1 ATOM 1235 C CB . MET A 1 162 ? 1.431 -3.048 37.652 1.00 44.14 ? 162 MET A CB 1 ATOM 1236 C CG . MET A 1 162 ? 0.688 -3.375 38.959 1.00 46.02 ? 162 MET A CG 1 ATOM 1237 S SD . MET A 1 162 ? 0.628 -5.120 39.465 1.00 46.98 ? 162 MET A SD 1 ATOM 1238 C CE . MET A 1 162 ? 2.389 -5.495 39.600 1.00 50.32 ? 162 MET A CE 1 ATOM 1239 N N . LEU A 1 163 ? 2.344 -1.791 34.999 1.00 43.02 ? 163 LEU A N 1 ATOM 1240 C CA . LEU A 1 163 ? 3.456 -1.571 34.081 1.00 42.80 ? 163 LEU A CA 1 ATOM 1241 C C . LEU A 1 163 ? 3.441 -0.202 33.436 1.00 42.92 ? 163 LEU A C 1 ATOM 1242 O O . LEU A 1 163 ? 4.474 0.477 33.371 1.00 42.34 ? 163 LEU A O 1 ATOM 1243 C CB . LEU A 1 163 ? 3.447 -2.640 32.990 1.00 42.90 ? 163 LEU A CB 1 ATOM 1244 C CG . LEU A 1 163 ? 3.937 -4.043 33.366 1.00 42.95 ? 163 LEU A CG 1 ATOM 1245 C CD1 . LEU A 1 163 ? 3.402 -5.007 32.361 1.00 44.97 ? 163 LEU A CD1 1 ATOM 1246 C CD2 . LEU A 1 163 ? 5.467 -4.122 33.397 1.00 41.11 ? 163 LEU A CD2 1 ATOM 1247 N N . LEU A 1 164 ? 2.254 0.170 32.945 1.00 43.05 ? 164 LEU A N 1 ATOM 1248 C CA . LEU A 1 164 ? 1.969 1.473 32.363 1.00 42.54 ? 164 LEU A CA 1 ATOM 1249 C C . LEU A 1 164 ? 2.071 2.608 33.380 1.00 43.07 ? 164 LEU A C 1 ATOM 1250 O O . LEU A 1 164 ? 2.702 3.640 33.110 1.00 43.48 ? 164 LEU A O 1 ATOM 1251 C CB . LEU A 1 164 ? 0.583 1.439 31.737 1.00 41.80 ? 164 LEU A CB 1 ATOM 1252 C CG . LEU A 1 164 ? 0.383 1.115 30.237 1.00 41.23 ? 164 LEU A CG 1 ATOM 1253 C CD1 . LEU A 1 164 ? 1.493 0.330 29.564 1.00 39.28 ? 164 LEU A CD1 1 ATOM 1254 C CD2 . LEU A 1 164 ? -0.968 0.480 30.005 1.00 36.51 ? 164 LEU A CD2 1 ATOM 1255 N N . ASN A 1 165 ? 1.477 2.408 34.557 1.00 43.35 ? 165 ASN A N 1 ATOM 1256 C CA . ASN A 1 165 ? 1.405 3.461 35.573 1.00 43.22 ? 165 ASN A CA 1 ATOM 1257 C C . ASN A 1 165 ? 2.681 3.672 36.380 1.00 43.24 ? 165 ASN A C 1 ATOM 1258 O O . ASN A 1 165 ? 2.972 4.789 36.765 1.00 43.01 ? 165 ASN A O 1 ATOM 1259 C CB . ASN A 1 165 ? 0.239 3.210 36.538 1.00 43.26 ? 165 ASN A CB 1 ATOM 1260 C CG . ASN A 1 165 ? -1.128 3.474 35.916 1.00 42.79 ? 165 ASN A CG 1 ATOM 1261 O OD1 . ASN A 1 165 ? -1.292 3.519 34.691 1.00 39.58 ? 165 ASN A OD1 1 ATOM 1262 N ND2 . ASN A 1 165 ? -2.123 3.638 36.782 1.00 43.82 ? 165 ASN A ND2 1 ATOM 1263 N N . ASP A 1 166 ? 3.420 2.597 36.651 1.00 43.95 ? 166 ASP A N 1 ATOM 1264 C CA . ASP A 1 166 ? 4.605 2.661 37.501 1.00 44.73 ? 166 ASP A CA 1 ATOM 1265 C C . ASP A 1 166 ? 5.881 2.266 36.808 1.00 44.69 ? 166 ASP A C 1 ATOM 1266 O O . ASP A 1 166 ? 6.802 3.062 36.696 1.00 45.09 ? 166 ASP A O 1 ATOM 1267 C CB . ASP A 1 166 ? 4.454 1.767 38.718 1.00 45.29 ? 166 ASP A CB 1 ATOM 1268 C CG . ASP A 1 166 ? 3.269 2.131 39.560 1.00 48.19 ? 166 ASP A CG 1 ATOM 1269 O OD1 . ASP A 1 166 ? 2.456 3.001 39.151 1.00 50.22 ? 166 ASP A OD1 1 ATOM 1270 O OD2 . ASP A 1 166 ? 3.137 1.521 40.642 1.00 52.69 ? 166 ASP A OD2 1 ATOM 1271 N N . THR A 1 167 ? 5.940 1.018 36.379 1.00 44.68 ? 167 THR A N 1 ATOM 1272 C CA . THR A 1 167 ? 7.149 0.446 35.792 1.00 44.88 ? 167 THR A CA 1 ATOM 1273 C C . THR A 1 167 ? 7.733 1.260 34.628 1.00 45.01 ? 167 THR A C 1 ATOM 1274 O O . THR A 1 167 ? 8.915 1.547 34.623 1.00 45.09 ? 167 THR A O 1 ATOM 1275 C CB . THR A 1 167 ? 6.890 -1.030 35.375 1.00 45.03 ? 167 THR A CB 1 ATOM 1276 O OG1 . THR A 1 167 ? 6.092 -1.670 36.396 1.00 44.99 ? 167 THR A OG1 1 ATOM 1277 C CG2 . THR A 1 167 ? 8.205 -1.790 35.154 1.00 43.10 ? 167 THR A CG2 1 ATOM 1278 N N . CYS A 1 168 ? 6.906 1.636 33.658 1.00 45.45 ? 168 CYS A N 1 ATOM 1279 C CA . CYS A 1 168 ? 7.371 2.425 32.507 1.00 45.27 ? 168 CYS A CA 1 ATOM 1280 C C . CYS A 1 168 ? 8.039 3.743 32.913 1.00 44.59 ? 168 CYS A C 1 ATOM 1281 O O . CYS A 1 168 ? 9.213 3.943 32.634 1.00 44.06 ? 168 CYS A O 1 ATOM 1282 C CB . CYS A 1 168 ? 6.233 2.679 31.508 1.00 45.85 ? 168 CYS A CB 1 ATOM 1283 S SG . CYS A 1 168 ? 6.760 3.312 29.910 1.00 47.29 ? 168 CYS A SG 1 ATOM 1284 N N . PRO A 1 169 ? 7.302 4.652 33.570 1.00 43.97 ? 169 PRO A N 1 ATOM 1285 C CA . PRO A 1 169 ? 8.044 5.857 33.904 1.00 43.95 ? 169 PRO A CA 1 ATOM 1286 C C . PRO A 1 169 ? 9.234 5.593 34.841 1.00 44.33 ? 169 PRO A C 1 ATOM 1287 O O . PRO A 1 169 ? 10.257 6.271 34.745 1.00 45.65 ? 169 PRO A O 1 ATOM 1288 C CB . PRO A 1 169 ? 6.980 6.774 34.558 1.00 43.75 ? 169 PRO A CB 1 ATOM 1289 C CG . PRO A 1 169 ? 5.897 5.875 35.007 1.00 43.16 ? 169 PRO A CG 1 ATOM 1290 C CD . PRO A 1 169 ? 5.897 4.721 34.017 1.00 44.00 ? 169 PRO A CD 1 ATOM 1291 N N . LEU A 1 170 ? 9.117 4.617 35.731 1.00 43.96 ? 170 LEU A N 1 ATOM 1292 C CA . LEU A 1 170 ? 10.171 4.353 36.683 1.00 43.56 ? 170 LEU A CA 1 ATOM 1293 C C . LEU A 1 170 ? 11.408 3.860 35.930 1.00 42.76 ? 170 LEU A C 1 ATOM 1294 O O . LEU A 1 170 ? 12.531 4.317 36.140 1.00 42.35 ? 170 LEU A O 1 ATOM 1295 C CB . LEU A 1 170 ? 9.680 3.351 37.730 1.00 43.97 ? 170 LEU A CB 1 ATOM 1296 C CG . LEU A 1 170 ? 10.602 2.906 38.865 1.00 45.11 ? 170 LEU A CG 1 ATOM 1297 C CD1 . LEU A 1 170 ? 9.834 2.840 40.185 1.00 48.14 ? 170 LEU A CD1 1 ATOM 1298 C CD2 . LEU A 1 170 ? 11.229 1.555 38.530 1.00 45.93 ? 170 LEU A CD2 1 ATOM 1299 N N . PHE A 1 171 ? 11.173 2.955 35.006 1.00 42.48 ? 171 PHE A N 1 ATOM 1300 C CA . PHE A 1 171 ? 12.236 2.429 34.177 1.00 42.05 ? 171 PHE A CA 1 ATOM 1301 C C . PHE A 1 171 ? 12.863 3.480 33.286 1.00 42.04 ? 171 PHE A C 1 ATOM 1302 O O . PHE A 1 171 ? 14.076 3.500 33.148 1.00 42.94 ? 171 PHE A O 1 ATOM 1303 C CB . PHE A 1 171 ? 11.733 1.286 33.321 1.00 41.63 ? 171 PHE A CB 1 ATOM 1304 C CG . PHE A 1 171 ? 12.811 0.619 32.528 1.00 41.45 ? 171 PHE A CG 1 ATOM 1305 C CD1 . PHE A 1 171 ? 13.918 0.074 33.168 1.00 41.22 ? 171 PHE A CD1 1 ATOM 1306 C CD2 . PHE A 1 171 ? 12.710 0.519 31.152 1.00 39.47 ? 171 PHE A CD2 1 ATOM 1307 C CE1 . PHE A 1 171 ? 14.905 -0.544 32.448 1.00 42.12 ? 171 PHE A CE1 1 ATOM 1308 C CE2 . PHE A 1 171 ? 13.687 -0.108 30.419 1.00 40.31 ? 171 PHE A CE2 1 ATOM 1309 C CZ . PHE A 1 171 ? 14.787 -0.633 31.049 1.00 42.29 ? 171 PHE A CZ 1 ATOM 1310 N N . VAL A 1 172 ? 12.049 4.342 32.685 1.00 41.76 ? 172 VAL A N 1 ATOM 1311 C CA . VAL A 1 172 ? 12.560 5.360 31.786 1.00 41.70 ? 172 VAL A CA 1 ATOM 1312 C C . VAL A 1 172 ? 13.455 6.350 32.541 1.00 42.19 ? 172 VAL A C 1 ATOM 1313 O O . VAL A 1 172 ? 14.507 6.737 32.016 1.00 41.62 ? 172 VAL A O 1 ATOM 1314 C CB . VAL A 1 172 ? 11.432 6.071 30.993 1.00 41.81 ? 172 VAL A CB 1 ATOM 1315 C CG1 . VAL A 1 172 ? 12.004 7.119 30.078 1.00 41.00 ? 172 VAL A CG1 1 ATOM 1316 C CG2 . VAL A 1 172 ? 10.674 5.058 30.147 1.00 41.29 ? 172 VAL A CG2 1 ATOM 1317 N N . ARG A 1 173 ? 13.070 6.706 33.778 1.00 42.15 ? 173 ARG A N 1 ATOM 1318 C CA . ARG A 1 173 ? 13.855 7.654 34.588 1.00 42.47 ? 173 ARG A CA 1 ATOM 1319 C C . ARG A 1 173 ? 15.274 7.155 34.794 1.00 42.01 ? 173 ARG A C 1 ATOM 1320 O O . ARG A 1 173 ? 16.212 7.925 34.783 1.00 42.47 ? 173 ARG A O 1 ATOM 1321 C CB . ARG A 1 173 ? 13.178 8.014 35.933 1.00 42.34 ? 173 ARG A CB 1 ATOM 1322 C CG . ARG A 1 173 ? 11.897 8.872 35.803 1.00 43.07 ? 173 ARG A CG 1 ATOM 1323 C CD . ARG A 1 173 ? 11.379 9.507 37.124 1.00 43.52 ? 173 ARG A CD 1 ATOM 1324 N NE . ARG A 1 173 ? 10.898 8.513 38.088 1.00 45.29 ? 173 ARG A NE 1 ATOM 1325 C CZ . ARG A 1 173 ? 9.667 7.995 38.114 1.00 44.50 ? 173 ARG A CZ 1 ATOM 1326 N NH1 . ARG A 1 173 ? 8.737 8.377 37.238 1.00 43.93 ? 173 ARG A NH1 1 ATOM 1327 N NH2 . ARG A 1 173 ? 9.371 7.076 39.019 1.00 42.56 ? 173 ARG A NH2 1 ATOM 1328 N N . GLY A 1 174 ? 15.441 5.860 34.947 1.00 41.98 ? 174 GLY A N 1 ATOM 1329 C CA . GLY A 1 174 ? 16.779 5.327 35.126 1.00 42.48 ? 174 GLY A CA 1 ATOM 1330 C C . GLY A 1 174 ? 17.475 5.200 33.782 1.00 43.15 ? 174 GLY A C 1 ATOM 1331 O O . GLY A 1 174 ? 18.706 5.235 33.695 1.00 43.53 ? 174 GLY A O 1 ATOM 1332 N N . LEU A 1 175 ? 16.703 5.043 32.712 1.00 42.94 ? 175 LEU A N 1 ATOM 1333 C CA . LEU A 1 175 ? 17.311 5.002 31.390 1.00 42.81 ? 175 LEU A CA 1 ATOM 1334 C C . LEU A 1 175 ? 17.949 6.355 31.047 1.00 43.24 ? 175 LEU A C 1 ATOM 1335 O O . LEU A 1 175 ? 19.067 6.403 30.536 1.00 44.12 ? 175 LEU A O 1 ATOM 1336 C CB . LEU A 1 175 ? 16.293 4.595 30.331 1.00 42.61 ? 175 LEU A CB 1 ATOM 1337 C CG . LEU A 1 175 ? 16.044 3.101 30.154 1.00 40.77 ? 175 LEU A CG 1 ATOM 1338 C CD1 . LEU A 1 175 ? 14.895 3.001 29.196 1.00 40.66 ? 175 LEU A CD1 1 ATOM 1339 C CD2 . LEU A 1 175 ? 17.262 2.398 29.578 1.00 39.67 ? 175 LEU A CD2 1 ATOM 1340 N N . LEU A 1 176 ? 17.244 7.442 31.377 1.00 42.74 ? 176 LEU A N 1 ATOM 1341 C CA . LEU A 1 176 ? 17.676 8.783 31.106 1.00 41.33 ? 176 LEU A CA 1 ATOM 1342 C C . LEU A 1 176 ? 18.880 9.149 31.928 1.00 41.53 ? 176 LEU A C 1 ATOM 1343 O O . LEU A 1 176 ? 19.692 9.946 31.482 1.00 41.44 ? 176 LEU A O 1 ATOM 1344 C CB . LEU A 1 176 ? 16.553 9.752 31.415 1.00 41.26 ? 176 LEU A CB 1 ATOM 1345 C CG . LEU A 1 176 ? 15.312 9.720 30.533 1.00 40.71 ? 176 LEU A CG 1 ATOM 1346 C CD1 . LEU A 1 176 ? 14.287 10.685 31.121 1.00 41.41 ? 176 LEU A CD1 1 ATOM 1347 C CD2 . LEU A 1 176 ? 15.622 10.056 29.082 1.00 37.81 ? 176 LEU A CD2 1 ATOM 1348 N N . GLU A 1 177 ? 18.985 8.600 33.138 1.00 41.72 ? 177 GLU A N 1 ATOM 1349 C CA . GLU A 1 177 ? 20.152 8.854 33.979 1.00 42.24 ? 177 GLU A CA 1 ATOM 1350 C C . GLU A 1 177 ? 21.321 8.064 33.429 1.00 42.06 ? 177 GLU A C 1 ATOM 1351 O O . GLU A 1 177 ? 22.380 8.622 33.172 1.00 41.92 ? 177 GLU A O 1 ATOM 1352 C CB . GLU A 1 177 ? 19.921 8.477 35.449 1.00 41.58 ? 177 GLU A CB 1 ATOM 1353 C CG . GLU A 1 177 ? 21.158 8.702 36.325 1.00 42.31 ? 177 GLU A CG 1 ATOM 1354 C CD . GLU A 1 177 ? 21.022 8.170 37.767 1.00 44.42 ? 177 GLU A CD 1 ATOM 1355 O OE1 . GLU A 1 177 ? 20.018 8.462 38.480 1.00 46.90 ? 177 GLU A OE1 1 ATOM 1356 O OE2 . GLU A 1 177 ? 21.957 7.473 38.219 1.00 47.29 ? 177 GLU A OE2 1 ATOM 1357 N N . ALA A 1 178 ? 21.106 6.762 33.249 1.00 42.35 ? 178 ALA A N 1 ATOM 1358 C CA . ALA A 1 178 ? 22.162 5.819 32.871 1.00 42.82 ? 178 ALA A CA 1 ATOM 1359 C C . ALA A 1 178 ? 22.728 6.037 31.462 1.00 42.86 ? 178 ALA A C 1 ATOM 1360 O O . ALA A 1 178 ? 23.899 5.735 31.221 1.00 42.60 ? 178 ALA A O 1 ATOM 1361 C CB . ALA A 1 178 ? 21.666 4.362 33.032 1.00 42.73 ? 178 ALA A CB 1 ATOM 1362 N N . GLY A 1 179 ? 21.902 6.554 30.554 1.00 42.79 ? 179 GLY A N 1 ATOM 1363 C CA . GLY A 1 179 ? 22.329 6.825 29.186 1.00 44.31 ? 179 GLY A CA 1 ATOM 1364 C C . GLY A 1 179 ? 22.559 8.281 28.818 1.00 45.20 ? 179 GLY A C 1 ATOM 1365 O O . GLY A 1 179 ? 22.580 8.643 27.637 1.00 45.92 ? 179 GLY A O 1 ATOM 1366 N N . LYS A 1 180 ? 22.757 9.111 29.834 1.00 45.57 ? 180 LYS A N 1 ATOM 1367 C CA . LYS A 1 180 ? 22.935 10.551 29.689 1.00 45.85 ? 180 LYS A CA 1 ATOM 1368 C C . LYS A 1 180 ? 23.970 10.954 28.629 1.00 46.02 ? 180 LYS A C 1 ATOM 1369 O O . LYS A 1 180 ? 23.754 11.903 27.901 1.00 46.89 ? 180 LYS A O 1 ATOM 1370 C CB . LYS A 1 180 ? 23.294 11.140 31.067 1.00 45.94 ? 180 LYS A CB 1 ATOM 1371 C CG . LYS A 1 180 ? 23.378 12.631 31.164 1.00 45.51 ? 180 LYS A CG 1 ATOM 1372 C CD . LYS A 1 180 ? 23.323 13.005 32.615 1.00 48.39 ? 180 LYS A CD 1 ATOM 1373 C CE . LYS A 1 180 ? 24.435 13.985 32.993 1.00 49.82 ? 180 LYS A CE 1 ATOM 1374 N NZ . LYS A 1 180 ? 24.149 15.319 32.424 1.00 51.42 ? 180 LYS A NZ 1 ATOM 1375 N N . SER A 1 181 ? 25.093 10.255 28.530 1.00 46.14 ? 181 SER A N 1 ATOM 1376 C CA . SER A 1 181 ? 26.130 10.722 27.621 1.00 46.33 ? 181 SER A CA 1 ATOM 1377 C C . SER A 1 181 ? 25.892 10.359 26.146 1.00 46.66 ? 181 SER A C 1 ATOM 1378 O O . SER A 1 181 ? 26.521 10.944 25.246 1.00 46.86 ? 181 SER A O 1 ATOM 1379 C CB . SER A 1 181 ? 27.543 10.378 28.112 1.00 46.14 ? 181 SER A CB 1 ATOM 1380 O OG . SER A 1 181 ? 27.671 9.021 28.423 1.00 46.93 ? 181 SER A OG 1 ATOM 1381 N N . ASP A 1 182 ? 24.982 9.407 25.921 1.00 46.62 ? 182 ASP A N 1 ATOM 1382 C CA . ASP A 1 182 ? 24.468 9.084 24.595 1.00 46.61 ? 182 ASP A CA 1 ATOM 1383 C C . ASP A 1 182 ? 23.285 9.967 24.189 1.00 46.07 ? 182 ASP A C 1 ATOM 1384 O O . ASP A 1 182 ? 23.231 10.476 23.067 1.00 45.84 ? 182 ASP A O 1 ATOM 1385 C CB . ASP A 1 182 ? 23.990 7.635 24.558 1.00 47.10 ? 182 ASP A CB 1 ATOM 1386 C CG . ASP A 1 182 ? 25.090 6.661 24.237 1.00 49.48 ? 182 ASP A CG 1 ATOM 1387 O OD1 . ASP A 1 182 ? 26.060 7.022 23.508 1.00 53.09 ? 182 ASP A OD1 1 ATOM 1388 O OD2 . ASP A 1 182 ? 24.961 5.508 24.694 1.00 51.55 ? 182 ASP A OD2 1 ATOM 1389 N N . LEU A 1 183 ? 22.322 10.106 25.097 1.00 44.98 ? 183 LEU A N 1 ATOM 1390 C CA . LEU A 1 183 ? 21.158 10.937 24.871 1.00 44.26 ? 183 LEU A CA 1 ATOM 1391 C C . LEU A 1 183 ? 21.501 12.432 24.697 1.00 44.25 ? 183 LEU A C 1 ATOM 1392 O O . LEU A 1 183 ? 20.885 13.127 23.882 1.00 43.69 ? 183 LEU A O 1 ATOM 1393 C CB . LEU A 1 183 ? 20.193 10.769 26.032 1.00 44.00 ? 183 LEU A CB 1 ATOM 1394 C CG . LEU A 1 183 ? 19.694 9.353 26.250 1.00 43.05 ? 183 LEU A CG 1 ATOM 1395 C CD1 . LEU A 1 183 ? 19.313 9.180 27.713 1.00 41.26 ? 183 LEU A CD1 1 ATOM 1396 C CD2 . LEU A 1 183 ? 18.539 9.050 25.320 1.00 40.86 ? 183 LEU A CD2 1 ATOM 1397 N N . GLU A 1 184 ? 22.485 12.901 25.468 1.00 43.81 ? 184 GLU A N 1 ATOM 1398 C CA . GLU A 1 184 ? 22.925 14.288 25.459 1.00 43.85 ? 184 GLU A CA 1 ATOM 1399 C C . GLU A 1 184 ? 24.144 14.489 24.574 1.00 43.14 ? 184 GLU A C 1 ATOM 1400 O O . GLU A 1 184 ? 24.900 15.438 24.765 1.00 42.65 ? 184 GLU A O 1 ATOM 1401 C CB . GLU A 1 184 ? 23.234 14.750 26.888 1.00 43.33 ? 184 GLU A CB 1 ATOM 1402 C CG . GLU A 1 184 ? 21.995 14.744 27.792 1.00 45.23 ? 184 GLU A CG 1 ATOM 1403 C CD . GLU A 1 184 ? 22.178 15.530 29.097 1.00 46.38 ? 184 GLU A CD 1 ATOM 1404 O OE1 . GLU A 1 184 ? 23.318 16.010 29.379 1.00 48.54 ? 184 GLU A OE1 1 ATOM 1405 O OE2 . GLU A 1 184 ? 21.164 15.666 29.839 1.00 48.14 ? 184 GLU A OE2 1 ATOM 1406 N N . LYS A 1 185 ? 24.333 13.606 23.595 1.00 43.03 ? 185 LYS A N 1 ATOM 1407 C CA . LYS A 1 185 ? 25.525 13.667 22.746 1.00 42.63 ? 185 LYS A CA 1 ATOM 1408 C C . LYS A 1 185 ? 25.352 14.691 21.647 1.00 42.33 ? 185 LYS A C 1 ATOM 1409 O O . LYS A 1 185 ? 24.242 14.942 21.189 1.00 41.70 ? 185 LYS A O 1 ATOM 1410 C CB . LYS A 1 185 ? 25.907 12.297 22.160 1.00 42.67 ? 185 LYS A CB 1 ATOM 1411 C CG . LYS A 1 185 ? 24.993 11.773 21.064 1.00 43.20 ? 185 LYS A CG 1 ATOM 1412 C CD . LYS A 1 185 ? 25.719 10.755 20.209 1.00 43.36 ? 185 LYS A CD 1 ATOM 1413 C CE . LYS A 1 185 ? 24.736 9.817 19.527 1.00 42.51 ? 185 LYS A CE 1 ATOM 1414 N NZ . LYS A 1 185 ? 25.303 9.359 18.230 1.00 42.37 ? 185 LYS A NZ 1 ATOM 1415 N N . GLN A 1 186 ? 26.468 15.285 21.247 1.00 42.50 ? 186 GLN A N 1 ATOM 1416 C CA . GLN A 1 186 ? 26.496 16.238 20.156 1.00 42.79 ? 186 GLN A CA 1 ATOM 1417 C C . GLN A 1 186 ? 27.423 15.731 19.034 1.00 43.46 ? 186 GLN A C 1 ATOM 1418 O O . GLN A 1 186 ? 28.594 15.464 19.252 1.00 43.31 ? 186 GLN A O 1 ATOM 1419 C CB . GLN A 1 186 ? 26.877 17.632 20.671 1.00 42.31 ? 186 GLN A CB 1 ATOM 1420 C CG . GLN A 1 186 ? 25.879 18.243 21.717 1.00 41.48 ? 186 GLN A CG 1 ATOM 1421 C CD . GLN A 1 186 ? 24.603 18.885 21.101 1.00 42.39 ? 186 GLN A CD 1 ATOM 1422 O OE1 . GLN A 1 186 ? 24.496 19.098 19.884 1.00 42.93 ? 186 GLN A OE1 1 ATOM 1423 N NE2 . GLN A 1 186 ? 23.641 19.201 21.957 1.00 41.39 ? 186 GLN A NE2 1 ATOM 1424 N N . GLU A 1 187 ? 26.852 15.515 17.853 1.00 44.80 ? 187 GLU A N 1 ATOM 1425 C CA . GLU A 1 187 ? 27.631 15.184 16.652 1.00 46.20 ? 187 GLU A CA 1 ATOM 1426 C C . GLU A 1 187 ? 27.376 16.268 15.575 1.00 46.51 ? 187 GLU A C 1 ATOM 1427 O O . GLU A 1 187 ? 26.206 16.637 15.317 1.00 46.01 ? 187 GLU A O 1 ATOM 1428 C CB . GLU A 1 187 ? 27.317 13.769 16.135 1.00 45.65 ? 187 GLU A CB 1 ATOM 1429 C CG . GLU A 1 187 ? 27.492 12.632 17.156 1.00 48.32 ? 187 GLU A CG 1 ATOM 1430 C CD . GLU A 1 187 ? 28.951 12.387 17.552 1.00 52.24 ? 187 GLU A CD 1 ATOM 1431 O OE1 . GLU A 1 187 ? 29.834 12.760 16.749 1.00 55.12 ? 187 GLU A OE1 1 ATOM 1432 O OE2 . GLU A 1 187 ? 29.223 11.837 18.658 1.00 51.68 ? 187 GLU A OE2 1 ATOM 1433 N N . LYS A 1 188 ? 28.467 16.784 14.986 1.00 46.71 ? 188 LYS A N 1 ATOM 1434 C CA . LYS A 1 188 ? 28.391 17.925 14.062 1.00 46.99 ? 188 LYS A CA 1 ATOM 1435 C C . LYS A 1 188 ? 27.900 17.464 12.728 1.00 47.17 ? 188 LYS A C 1 ATOM 1436 O O . LYS A 1 188 ? 28.305 16.420 12.286 1.00 47.63 ? 188 LYS A O 1 ATOM 1437 C CB . LYS A 1 188 ? 29.747 18.603 13.878 1.00 46.60 ? 188 LYS A CB 1 ATOM 1438 C CG . LYS A 1 188 ? 30.283 19.228 15.141 1.00 47.02 ? 188 LYS A CG 1 ATOM 1439 C CD . LYS A 1 188 ? 31.630 19.915 14.924 1.00 48.32 ? 188 LYS A CD 1 ATOM 1440 C CE . LYS A 1 188 ? 32.232 20.368 16.253 1.00 50.66 ? 188 LYS A CE 1 ATOM 1441 N NZ . LYS A 1 188 ? 33.207 21.500 16.097 1.00 52.68 ? 188 LYS A NZ 1 ATOM 1442 N N . PRO A 1 189 ? 27.006 18.239 12.092 1.00 47.89 ? 189 PRO A N 1 ATOM 1443 C CA . PRO A 1 189 ? 26.664 18.055 10.677 1.00 47.56 ? 189 PRO A CA 1 ATOM 1444 C C . PRO A 1 189 ? 27.862 18.397 9.817 1.00 47.73 ? 189 PRO A C 1 ATOM 1445 O O . PRO A 1 189 ? 28.552 19.364 10.115 1.00 48.26 ? 189 PRO A O 1 ATOM 1446 C CB . PRO A 1 189 ? 25.614 19.140 10.427 1.00 47.61 ? 189 PRO A CB 1 ATOM 1447 C CG . PRO A 1 189 ? 25.821 20.164 11.526 1.00 47.92 ? 189 PRO A CG 1 ATOM 1448 C CD . PRO A 1 189 ? 26.261 19.365 12.708 1.00 47.91 ? 189 PRO A CD 1 ATOM 1449 N N . VAL A 1 190 ? 28.136 17.592 8.789 1.00 47.85 ? 190 VAL A N 1 ATOM 1450 C CA . VAL A 1 190 ? 29.026 17.981 7.680 1.00 47.09 ? 190 VAL A CA 1 ATOM 1451 C C . VAL A 1 190 ? 28.088 18.105 6.494 1.00 46.63 ? 190 VAL A C 1 ATOM 1452 O O . VAL A 1 190 ? 27.162 17.292 6.355 1.00 46.82 ? 190 VAL A O 1 ATOM 1453 C CB . VAL A 1 190 ? 30.087 16.928 7.405 1.00 47.29 ? 190 VAL A CB 1 ATOM 1454 C CG1 . VAL A 1 190 ? 30.794 17.216 6.113 1.00 47.31 ? 190 VAL A CG1 1 ATOM 1455 C CG2 . VAL A 1 190 ? 31.092 16.903 8.546 1.00 48.11 ? 190 VAL A CG2 1 ATOM 1456 N N . ALA A 1 191 ? 28.289 19.138 5.677 1.00 45.58 ? 191 ALA A N 1 ATOM 1457 C CA . ALA A 1 191 ? 27.340 19.506 4.621 1.00 44.63 ? 191 ALA A CA 1 ATOM 1458 C C . ALA A 1 191 ? 28.017 19.632 3.253 1.00 44.33 ? 191 ALA A C 1 ATOM 1459 O O . ALA A 1 191 ? 29.208 19.911 3.177 1.00 44.69 ? 191 ALA A O 1 ATOM 1460 C CB . ALA A 1 191 ? 26.626 20.812 4.982 1.00 44.52 ? 191 ALA A CB 1 ATOM 1461 N N . TRP A 1 192 ? 27.267 19.425 2.174 1.00 43.77 ? 192 TRP A N 1 ATOM 1462 C CA . TRP A 1 192 ? 27.817 19.604 0.828 1.00 43.45 ? 192 TRP A CA 1 ATOM 1463 C C . TRP A 1 192 ? 26.725 19.956 -0.186 1.00 43.24 ? 192 TRP A C 1 ATOM 1464 O O . TRP A 1 192 ? 25.534 19.680 0.039 1.00 42.59 ? 192 TRP A O 1 ATOM 1465 C CB . TRP A 1 192 ? 28.657 18.401 0.370 1.00 43.25 ? 192 TRP A CB 1 ATOM 1466 C CG . TRP A 1 192 ? 27.882 17.161 0.174 1.00 43.56 ? 192 TRP A CG 1 ATOM 1467 C CD1 . TRP A 1 192 ? 27.452 16.645 -1.019 1.00 44.08 ? 192 TRP A CD1 1 ATOM 1468 C CD2 . TRP A 1 192 ? 27.427 16.253 1.199 1.00 42.43 ? 192 TRP A CD2 1 ATOM 1469 N NE1 . TRP A 1 192 ? 26.746 15.463 -0.793 1.00 45.77 ? 192 TRP A NE1 1 ATOM 1470 C CE2 . TRP A 1 192 ? 26.729 15.198 0.550 1.00 42.44 ? 192 TRP A CE2 1 ATOM 1471 C CE3 . TRP A 1 192 ? 27.555 16.222 2.593 1.00 42.99 ? 192 TRP A CE3 1 ATOM 1472 C CZ2 . TRP A 1 192 ? 26.159 14.125 1.248 1.00 43.73 ? 192 TRP A CZ2 1 ATOM 1473 C CZ3 . TRP A 1 192 ? 26.969 15.143 3.307 1.00 44.47 ? 192 TRP A CZ3 1 ATOM 1474 C CH2 . TRP A 1 192 ? 26.278 14.116 2.628 1.00 44.21 ? 192 TRP A CH2 1 ATOM 1475 N N . LEU A 1 193 ? 27.151 20.565 -1.292 1.00 42.53 ? 193 LEU A N 1 ATOM 1476 C CA . LEU A 1 193 ? 26.222 21.042 -2.306 1.00 42.13 ? 193 LEU A CA 1 ATOM 1477 C C . LEU A 1 193 ? 26.385 20.268 -3.582 1.00 42.27 ? 193 LEU A C 1 ATOM 1478 O O . LEU A 1 193 ? 27.495 19.914 -3.967 1.00 42.66 ? 193 LEU A O 1 ATOM 1479 C CB . LEU A 1 193 ? 26.465 22.531 -2.622 1.00 41.85 ? 193 LEU A CB 1 ATOM 1480 C CG . LEU A 1 193 ? 26.426 23.503 -1.449 1.00 40.19 ? 193 LEU A CG 1 ATOM 1481 C CD1 . LEU A 1 193 ? 26.599 24.903 -1.990 1.00 37.59 ? 193 LEU A CD1 1 ATOM 1482 C CD2 . LEU A 1 193 ? 25.123 23.329 -0.632 1.00 38.79 ? 193 LEU A CD2 1 ATOM 1483 N N . SER A 1 194 ? 25.273 20.017 -4.244 1.00 42.27 ? 194 SER A N 1 ATOM 1484 C CA . SER A 1 194 ? 25.308 19.554 -5.602 1.00 42.59 ? 194 SER A CA 1 ATOM 1485 C C . SER A 1 194 ? 24.118 20.129 -6.322 1.00 42.99 ? 194 SER A C 1 ATOM 1486 O O . SER A 1 194 ? 23.251 20.742 -5.707 1.00 42.25 ? 194 SER A O 1 ATOM 1487 C CB . SER A 1 194 ? 25.269 18.034 -5.642 1.00 42.60 ? 194 SER A CB 1 ATOM 1488 O OG . SER A 1 194 ? 24.081 17.551 -5.052 1.00 42.75 ? 194 SER A OG 1 ATOM 1489 N N . SER A 1 195 ? 24.080 19.936 -7.632 1.00 44.05 ? 195 SER A N 1 ATOM 1490 C CA . SER A 1 195 ? 22.908 20.307 -8.390 1.00 45.72 ? 195 SER A CA 1 ATOM 1491 C C . SER A 1 195 ? 22.590 19.276 -9.443 1.00 46.95 ? 195 SER A C 1 ATOM 1492 O O . SER A 1 195 ? 23.355 18.338 -9.674 1.00 47.25 ? 195 SER A O 1 ATOM 1493 C CB . SER A 1 195 ? 23.065 21.681 -9.019 1.00 45.35 ? 195 SER A CB 1 ATOM 1494 O OG . SER A 1 195 ? 24.148 21.670 -9.914 1.00 46.17 ? 195 SER A OG 1 ATOM 1495 N N . VAL A 1 196 ? 21.450 19.466 -10.087 1.00 48.70 ? 196 VAL A N 1 ATOM 1496 C CA . VAL A 1 196 ? 20.951 18.512 -11.056 1.00 50.64 ? 196 VAL A CA 1 ATOM 1497 C C . VAL A 1 196 ? 19.991 19.265 -11.983 1.00 51.58 ? 196 VAL A C 1 ATOM 1498 O O . VAL A 1 196 ? 19.346 20.222 -11.549 1.00 51.74 ? 196 VAL A O 1 ATOM 1499 C CB . VAL A 1 196 ? 20.250 17.345 -10.309 1.00 50.65 ? 196 VAL A CB 1 ATOM 1500 C CG1 . VAL A 1 196 ? 18.906 17.787 -9.698 1.00 51.21 ? 196 VAL A CG1 1 ATOM 1501 C CG2 . VAL A 1 196 ? 20.104 16.154 -11.195 1.00 51.84 ? 196 VAL A CG2 1 ATOM 1502 N N . PRO A 1 197 ? 19.933 18.895 -13.273 1.00 52.67 ? 197 PRO A N 1 ATOM 1503 C CA . PRO A 1 197 ? 18.854 19.491 -14.052 1.00 53.71 ? 197 PRO A CA 1 ATOM 1504 C C . PRO A 1 197 ? 17.470 19.234 -13.418 1.00 54.64 ? 197 PRO A C 1 ATOM 1505 O O . PRO A 1 197 ? 17.333 18.370 -12.535 1.00 55.18 ? 197 PRO A O 1 ATOM 1506 C CB . PRO A 1 197 ? 18.987 18.774 -15.407 1.00 53.60 ? 197 PRO A CB 1 ATOM 1507 C CG . PRO A 1 197 ? 20.439 18.446 -15.501 1.00 52.51 ? 197 PRO A CG 1 ATOM 1508 C CD . PRO A 1 197 ? 20.787 18.025 -14.106 1.00 52.84 ? 197 PRO A CD 1 ATOM 1509 N N . SER A 1 198 ? 16.470 20.006 -13.829 1.00 55.49 ? 198 SER A N 1 ATOM 1510 C CA . SER A 1 198 ? 15.076 19.693 -13.506 1.00 56.48 ? 198 SER A CA 1 ATOM 1511 C C . SER A 1 198 ? 14.301 19.539 -14.819 1.00 56.94 ? 198 SER A C 1 ATOM 1512 O O . SER A 1 198 ? 14.829 19.870 -15.889 1.00 56.66 ? 198 SER A O 1 ATOM 1513 C CB . SER A 1 198 ? 14.457 20.780 -12.618 1.00 56.48 ? 198 SER A CB 1 ATOM 1514 O OG . SER A 1 198 ? 13.888 21.808 -13.411 1.00 56.72 ? 198 SER A OG 1 ATOM 1515 N N . SER A 1 199 ? 13.059 19.050 -14.744 1.00 57.86 ? 199 SER A N 1 ATOM 1516 C CA . SER A 1 199 ? 12.252 18.775 -15.971 1.00 58.69 ? 199 SER A CA 1 ATOM 1517 C C . SER A 1 199 ? 11.925 20.002 -16.864 1.00 58.83 ? 199 SER A C 1 ATOM 1518 O O . SER A 1 199 ? 11.759 19.859 -18.088 1.00 58.89 ? 199 SER A O 1 ATOM 1519 C CB . SER A 1 199 ? 10.983 17.954 -15.658 1.00 58.58 ? 199 SER A CB 1 ATOM 1520 O OG . SER A 1 199 ? 10.091 18.671 -14.822 1.00 59.21 ? 199 SER A OG 1 ATOM 1521 N N . ALA A 1 200 ? 11.848 21.191 -16.259 1.00 59.06 ? 200 ALA A N 1 ATOM 1522 C CA . ALA A 1 200 ? 11.633 22.432 -17.011 1.00 59.41 ? 200 ALA A CA 1 ATOM 1523 C C . ALA A 1 200 ? 12.958 23.033 -17.508 1.00 59.41 ? 200 ALA A C 1 ATOM 1524 O O . ALA A 1 200 ? 13.827 23.382 -16.703 1.00 59.58 ? 200 ALA A O 1 ATOM 1525 C CB . ALA A 1 200 ? 10.853 23.443 -16.170 1.00 59.57 ? 200 ALA A CB 1 ATOM 1526 N N . HIS A 1 201 ? 13.093 23.130 -18.834 1.00 59.18 ? 201 HIS A N 1 ATOM 1527 C CA . HIS A 1 201 ? 14.295 23.636 -19.542 1.00 59.10 ? 201 HIS A CA 1 ATOM 1528 C C . HIS A 1 201 ? 14.854 24.957 -18.987 1.00 58.39 ? 201 HIS A C 1 ATOM 1529 O O . HIS A 1 201 ? 14.086 25.852 -18.635 1.00 58.61 ? 201 HIS A O 1 ATOM 1530 C CB . HIS A 1 201 ? 13.958 23.778 -21.045 1.00 59.57 ? 201 HIS A CB 1 ATOM 1531 C CG . HIS A 1 201 ? 15.022 24.444 -21.866 1.00 61.09 ? 201 HIS A CG 1 ATOM 1532 N ND1 . HIS A 1 201 ? 16.342 24.042 -21.853 1.00 62.06 ? 201 HIS A ND1 1 ATOM 1533 C CD2 . HIS A 1 201 ? 14.948 25.462 -22.759 1.00 62.64 ? 201 HIS A CD2 1 ATOM 1534 C CE1 . HIS A 1 201 ? 17.038 24.798 -22.684 1.00 63.25 ? 201 HIS A CE1 1 ATOM 1535 N NE2 . HIS A 1 201 ? 16.216 25.666 -23.249 1.00 63.51 ? 201 HIS A NE2 1 ATOM 1536 N N . GLY A 1 202 ? 16.182 25.073 -18.904 1.00 57.26 ? 202 GLY A N 1 ATOM 1537 C CA . GLY A 1 202 ? 16.825 26.288 -18.380 1.00 55.65 ? 202 GLY A CA 1 ATOM 1538 C C . GLY A 1 202 ? 16.716 26.487 -16.867 1.00 54.76 ? 202 GLY A C 1 ATOM 1539 O O . GLY A 1 202 ? 16.945 27.595 -16.368 1.00 54.80 ? 202 GLY A O 1 ATOM 1540 N N . HIS A 1 203 ? 16.368 25.418 -16.142 1.00 53.25 ? 203 HIS A N 1 ATOM 1541 C CA . HIS A 1 203 ? 16.244 25.444 -14.683 1.00 51.92 ? 203 HIS A CA 1 ATOM 1542 C C . HIS A 1 203 ? 17.152 24.388 -14.047 1.00 51.14 ? 203 HIS A C 1 ATOM 1543 O O . HIS A 1 203 ? 17.542 23.419 -14.692 1.00 51.45 ? 203 HIS A O 1 ATOM 1544 C CB . HIS A 1 203 ? 14.789 25.199 -14.239 1.00 52.00 ? 203 HIS A CB 1 ATOM 1545 C CG . HIS A 1 203 ? 13.945 26.440 -14.131 1.00 51.66 ? 203 HIS A CG 1 ATOM 1546 N ND1 . HIS A 1 203 ? 13.515 27.156 -15.232 1.00 52.21 ? 203 HIS A ND1 1 ATOM 1547 C CD2 . HIS A 1 203 ? 13.415 27.062 -13.052 1.00 51.03 ? 203 HIS A CD2 1 ATOM 1548 C CE1 . HIS A 1 203 ? 12.781 28.179 -14.832 1.00 51.78 ? 203 HIS A CE1 1 ATOM 1549 N NE2 . HIS A 1 203 ? 12.707 28.146 -13.512 1.00 51.17 ? 203 HIS A NE2 1 ATOM 1550 N N . ARG A 1 204 ? 17.489 24.585 -12.779 1.00 49.71 ? 204 ARG A N 1 ATOM 1551 C CA . ARG A 1 204 ? 18.312 23.642 -12.049 1.00 48.76 ? 204 ARG A CA 1 ATOM 1552 C C . ARG A 1 204 ? 17.745 23.430 -10.654 1.00 47.60 ? 204 ARG A C 1 ATOM 1553 O O . ARG A 1 204 ? 17.002 24.252 -10.105 1.00 47.55 ? 204 ARG A O 1 ATOM 1554 C CB . ARG A 1 204 ? 19.774 24.120 -11.948 1.00 48.80 ? 204 ARG A CB 1 ATOM 1555 C CG . ARG A 1 204 ? 20.556 24.150 -13.274 1.00 49.94 ? 204 ARG A CG 1 ATOM 1556 C CD . ARG A 1 204 ? 22.091 23.996 -13.082 1.00 49.85 ? 204 ARG A CD 1 ATOM 1557 N NE . ARG A 1 204 ? 22.534 22.616 -12.827 1.00 51.47 ? 204 ARG A NE 1 ATOM 1558 C CZ . ARG A 1 204 ? 22.548 21.620 -13.728 1.00 51.96 ? 204 ARG A CZ 1 ATOM 1559 N NH1 . ARG A 1 204 ? 22.127 21.792 -14.975 1.00 53.22 ? 204 ARG A NH1 1 ATOM 1560 N NH2 . ARG A 1 204 ? 22.980 20.427 -13.376 1.00 52.03 ? 204 ARG A NH2 1 ATOM 1561 N N . GLN A 1 205 ? 18.104 22.310 -10.068 1.00 46.19 ? 205 GLN A N 1 ATOM 1562 C CA . GLN A 1 205 ? 17.815 22.117 -8.682 1.00 44.78 ? 205 GLN A CA 1 ATOM 1563 C C . GLN A 1 205 ? 19.110 21.986 -7.893 1.00 43.67 ? 205 GLN A C 1 ATOM 1564 O O . GLN A 1 205 ? 19.885 21.048 -8.101 1.00 43.34 ? 205 GLN A O 1 ATOM 1565 C CB . GLN A 1 205 ? 16.967 20.899 -8.525 1.00 44.56 ? 205 GLN A CB 1 ATOM 1566 C CG . GLN A 1 205 ? 16.520 20.719 -7.130 1.00 46.67 ? 205 GLN A CG 1 ATOM 1567 C CD . GLN A 1 205 ? 15.377 19.775 -7.070 1.00 49.86 ? 205 GLN A CD 1 ATOM 1568 O OE1 . GLN A 1 205 ? 15.470 18.744 -6.424 1.00 51.46 ? 205 GLN A OE1 1 ATOM 1569 N NE2 . GLN A 1 205 ? 14.293 20.092 -7.791 1.00 51.21 ? 205 GLN A NE2 1 ATOM 1570 N N . LEU A 1 206 ? 19.349 22.953 -7.011 1.00 42.49 ? 206 LEU A N 1 ATOM 1571 C CA . LEU A 1 206 ? 20.522 22.940 -6.148 1.00 41.27 ? 206 LEU A CA 1 ATOM 1572 C C . LEU A 1 206 ? 20.166 22.078 -4.954 1.00 41.18 ? 206 LEU A C 1 ATOM 1573 O O . LEU A 1 206 ? 19.017 22.107 -4.475 1.00 40.52 ? 206 LEU A O 1 ATOM 1574 C CB . LEU A 1 206 ? 20.889 24.356 -5.726 1.00 40.42 ? 206 LEU A CB 1 ATOM 1575 C CG . LEU A 1 206 ? 21.639 25.291 -6.707 1.00 40.93 ? 206 LEU A CG 1 ATOM 1576 C CD1 . LEU A 1 206 ? 21.721 24.842 -8.155 1.00 37.81 ? 206 LEU A CD1 1 ATOM 1577 C CD2 . LEU A 1 206 ? 21.067 26.688 -6.650 1.00 40.28 ? 206 LEU A CD2 1 ATOM 1578 N N . VAL A 1 207 ? 21.116 21.276 -4.502 1.00 40.91 ? 207 VAL A N 1 ATOM 1579 C CA . VAL A 1 207 ? 20.853 20.435 -3.365 1.00 41.75 ? 207 VAL A CA 1 ATOM 1580 C C . VAL A 1 207 ? 21.831 20.703 -2.244 1.00 42.26 ? 207 VAL A C 1 ATOM 1581 O O . VAL A 1 207 ? 23.029 20.723 -2.451 1.00 41.54 ? 207 VAL A O 1 ATOM 1582 C CB . VAL A 1 207 ? 20.869 18.940 -3.737 1.00 41.78 ? 207 VAL A CB 1 ATOM 1583 C CG1 . VAL A 1 207 ? 20.478 18.104 -2.547 1.00 42.37 ? 207 VAL A CG1 1 ATOM 1584 C CG2 . VAL A 1 207 ? 19.917 18.660 -4.871 1.00 41.69 ? 207 VAL A CG2 1 ATOM 1585 N N . CYS A 1 208 ? 21.294 20.925 -1.051 1.00 44.10 ? 208 CYS A N 1 ATOM 1586 C CA . CYS A 1 208 ? 22.127 21.068 0.125 1.00 44.59 ? 208 CYS A CA 1 ATOM 1587 C C . CYS A 1 208 ? 21.957 19.861 1.027 1.00 44.58 ? 208 CYS A C 1 ATOM 1588 O O . CYS A 1 208 ? 20.905 19.701 1.642 1.00 45.40 ? 208 CYS A O 1 ATOM 1589 C CB . CYS A 1 208 ? 21.751 22.325 0.891 1.00 44.93 ? 208 CYS A CB 1 ATOM 1590 S SG . CYS A 1 208 ? 22.879 22.639 2.310 1.00 47.24 ? 208 CYS A SG 1 ATOM 1591 N N . HIS A 1 209 ? 22.977 19.015 1.101 1.00 43.97 ? 209 HIS A N 1 ATOM 1592 C CA . HIS A 1 209 ? 22.921 17.812 1.919 1.00 43.48 ? 209 HIS A CA 1 ATOM 1593 C C . HIS A 1 209 ? 23.615 18.013 3.270 1.00 43.52 ? 209 HIS A C 1 ATOM 1594 O O . HIS A 1 209 ? 24.776 18.442 3.323 1.00 42.93 ? 209 HIS A O 1 ATOM 1595 C CB . HIS A 1 209 ? 23.674 16.683 1.252 1.00 43.86 ? 209 HIS A CB 1 ATOM 1596 C CG . HIS A 1 209 ? 23.544 16.615 -0.237 1.00 44.71 ? 209 HIS A CG 1 ATOM 1597 N ND1 . HIS A 1 209 ? 23.062 15.497 -0.879 1.00 43.90 ? 209 HIS A ND1 1 ATOM 1598 C CD2 . HIS A 1 209 ? 23.897 17.485 -1.212 1.00 45.57 ? 209 HIS A CD2 1 ATOM 1599 C CE1 . HIS A 1 209 ? 23.114 15.688 -2.184 1.00 45.13 ? 209 HIS A CE1 1 ATOM 1600 N NE2 . HIS A 1 209 ? 23.612 16.887 -2.415 1.00 43.73 ? 209 HIS A NE2 1 ATOM 1601 N N . VAL A 1 210 ? 22.942 17.618 4.348 1.00 43.01 ? 210 VAL A N 1 ATOM 1602 C CA . VAL A 1 210 ? 23.449 17.805 5.697 1.00 42.86 ? 210 VAL A CA 1 ATOM 1603 C C . VAL A 1 210 ? 23.457 16.463 6.417 1.00 43.11 ? 210 VAL A C 1 ATOM 1604 O O . VAL A 1 210 ? 22.393 15.925 6.687 1.00 44.14 ? 210 VAL A O 1 ATOM 1605 C CB . VAL A 1 210 ? 22.536 18.748 6.460 1.00 43.03 ? 210 VAL A CB 1 ATOM 1606 C CG1 . VAL A 1 210 ? 23.182 19.160 7.762 1.00 42.55 ? 210 VAL A CG1 1 ATOM 1607 C CG2 . VAL A 1 210 ? 22.164 19.960 5.576 1.00 42.15 ? 210 VAL A CG2 1 ATOM 1608 N N . SER A 1 211 ? 24.641 15.935 6.749 1.00 43.45 ? 211 SER A N 1 ATOM 1609 C CA . SER A 1 211 ? 24.792 14.544 7.252 1.00 43.03 ? 211 SER A CA 1 ATOM 1610 C C . SER A 1 211 ? 25.626 14.421 8.510 1.00 42.93 ? 211 SER A C 1 ATOM 1611 O O . SER A 1 211 ? 26.663 15.093 8.665 1.00 43.29 ? 211 SER A O 1 ATOM 1612 C CB . SER A 1 211 ? 25.426 13.642 6.192 1.00 43.36 ? 211 SER A CB 1 ATOM 1613 O OG . SER A 1 211 ? 25.283 12.269 6.517 1.00 42.35 ? 211 SER A OG 1 ATOM 1614 N N . GLY A 1 212 ? 25.189 13.541 9.401 1.00 42.10 ? 212 GLY A N 1 ATOM 1615 C CA . GLY A 1 212 ? 26.043 13.118 10.510 1.00 41.93 ? 212 GLY A CA 1 ATOM 1616 C C . GLY A 1 212 ? 25.791 13.844 11.825 1.00 42.31 ? 212 GLY A C 1 ATOM 1617 O O . GLY A 1 212 ? 26.656 13.798 12.718 1.00 41.70 ? 212 GLY A O 1 ATOM 1618 N N . PHE A 1 213 ? 24.610 14.488 11.942 1.00 41.72 ? 213 PHE A N 1 ATOM 1619 C CA . PHE A 1 213 ? 24.306 15.373 13.064 1.00 41.71 ? 213 PHE A CA 1 ATOM 1620 C C . PHE A 1 213 ? 23.441 14.733 14.154 1.00 42.18 ? 213 PHE A C 1 ATOM 1621 O O . PHE A 1 213 ? 22.683 13.805 13.871 1.00 42.98 ? 213 PHE A O 1 ATOM 1622 C CB . PHE A 1 213 ? 23.728 16.721 12.590 1.00 41.81 ? 213 PHE A CB 1 ATOM 1623 C CG . PHE A 1 213 ? 22.405 16.634 11.831 1.00 41.82 ? 213 PHE A CG 1 ATOM 1624 C CD1 . PHE A 1 213 ? 22.381 16.426 10.452 1.00 40.61 ? 213 PHE A CD1 1 ATOM 1625 C CD2 . PHE A 1 213 ? 21.200 16.819 12.491 1.00 41.03 ? 213 PHE A CD2 1 ATOM 1626 C CE1 . PHE A 1 213 ? 21.172 16.351 9.763 1.00 39.35 ? 213 PHE A CE1 1 ATOM 1627 C CE2 . PHE A 1 213 ? 19.988 16.756 11.804 1.00 41.78 ? 213 PHE A CE2 1 ATOM 1628 C CZ . PHE A 1 213 ? 19.979 16.539 10.430 1.00 39.66 ? 213 PHE A CZ 1 ATOM 1629 N N . TYR A 1 214 ? 23.605 15.173 15.401 1.00 41.65 ? 214 TYR A N 1 ATOM 1630 C CA . TYR A 1 214 ? 22.795 14.668 16.507 1.00 41.77 ? 214 TYR A CA 1 ATOM 1631 C C . TYR A 1 214 ? 22.788 15.678 17.648 1.00 42.70 ? 214 TYR A C 1 ATOM 1632 O O . TYR A 1 214 ? 23.850 16.199 17.988 1.00 43.56 ? 214 TYR A O 1 ATOM 1633 C CB . TYR A 1 214 ? 23.315 13.305 17.017 1.00 40.39 ? 214 TYR A CB 1 ATOM 1634 C CG . TYR A 1 214 ? 22.303 12.621 17.893 1.00 37.63 ? 214 TYR A CG 1 ATOM 1635 C CD1 . TYR A 1 214 ? 22.167 12.966 19.223 1.00 36.90 ? 214 TYR A CD1 1 ATOM 1636 C CD2 . TYR A 1 214 ? 21.454 11.656 17.373 1.00 35.31 ? 214 TYR A CD2 1 ATOM 1637 C CE1 . TYR A 1 214 ? 21.187 12.378 20.029 1.00 35.61 ? 214 TYR A CE1 1 ATOM 1638 C CE2 . TYR A 1 214 ? 20.509 11.043 18.149 1.00 34.41 ? 214 TYR A CE2 1 ATOM 1639 C CZ . TYR A 1 214 ? 20.374 11.410 19.482 1.00 36.08 ? 214 TYR A CZ 1 ATOM 1640 O OH . TYR A 1 214 ? 19.421 10.812 20.252 1.00 36.46 ? 214 TYR A OH 1 ATOM 1641 N N . PRO A 1 215 ? 21.624 15.937 18.280 1.00 43.36 ? 215 PRO A N 1 ATOM 1642 C CA . PRO A 1 215 ? 20.274 15.436 18.093 1.00 44.09 ? 215 PRO A CA 1 ATOM 1643 C C . PRO A 1 215 ? 19.612 15.957 16.834 1.00 45.41 ? 215 PRO A C 1 ATOM 1644 O O . PRO A 1 215 ? 20.226 16.699 16.060 1.00 44.93 ? 215 PRO A O 1 ATOM 1645 C CB . PRO A 1 215 ? 19.535 15.979 19.323 1.00 43.75 ? 215 PRO A CB 1 ATOM 1646 C CG . PRO A 1 215 ? 20.246 17.188 19.688 1.00 42.50 ? 215 PRO A CG 1 ATOM 1647 C CD . PRO A 1 215 ? 21.673 16.871 19.427 1.00 43.51 ? 215 PRO A CD 1 ATOM 1648 N N . LYS A 1 216 ? 18.354 15.550 16.664 1.00 47.03 ? 216 LYS A N 1 ATOM 1649 C CA . LYS A 1 216 ? 17.546 15.794 15.460 1.00 47.80 ? 216 LYS A CA 1 ATOM 1650 C C . LYS A 1 216 ? 17.318 17.276 15.073 1.00 48.55 ? 216 LYS A C 1 ATOM 1651 O O . LYS A 1 216 ? 17.534 17.608 13.901 1.00 49.75 ? 216 LYS A O 1 ATOM 1652 C CB . LYS A 1 216 ? 16.204 15.083 15.593 1.00 47.41 ? 216 LYS A CB 1 ATOM 1653 C CG . LYS A 1 216 ? 15.592 14.652 14.294 1.00 47.69 ? 216 LYS A CG 1 ATOM 1654 C CD . LYS A 1 216 ? 14.430 13.699 14.546 1.00 47.22 ? 216 LYS A CD 1 ATOM 1655 C CE . LYS A 1 216 ? 13.880 13.187 13.238 1.00 47.73 ? 216 LYS A CE 1 ATOM 1656 N NZ . LYS A 1 216 ? 12.603 12.503 13.485 1.00 47.36 ? 216 LYS A NZ 1 ATOM 1657 N N . PRO A 1 217 ? 16.889 18.155 16.014 1.00 47.80 ? 217 PRO A N 1 ATOM 1658 C CA . PRO A 1 217 ? 16.582 19.541 15.597 1.00 48.17 ? 217 PRO A CA 1 ATOM 1659 C C . PRO A 1 217 ? 17.699 20.239 14.819 1.00 48.28 ? 217 PRO A C 1 ATOM 1660 O O . PRO A 1 217 ? 18.840 20.301 15.282 1.00 48.28 ? 217 PRO A O 1 ATOM 1661 C CB . PRO A 1 217 ? 16.311 20.272 16.928 1.00 47.86 ? 217 PRO A CB 1 ATOM 1662 C CG . PRO A 1 217 ? 15.806 19.221 17.815 1.00 47.59 ? 217 PRO A CG 1 ATOM 1663 C CD . PRO A 1 217 ? 16.634 17.970 17.449 1.00 47.83 ? 217 PRO A CD 1 ATOM 1664 N N . VAL A 1 218 ? 17.343 20.740 13.634 1.00 48.85 ? 218 VAL A N 1 ATOM 1665 C CA . VAL A 1 218 ? 18.256 21.427 12.703 1.00 49.02 ? 218 VAL A CA 1 ATOM 1666 C C . VAL A 1 218 ? 17.501 22.415 11.884 1.00 48.91 ? 218 VAL A C 1 ATOM 1667 O O . VAL A 1 218 ? 16.311 22.252 11.616 1.00 49.09 ? 218 VAL A O 1 ATOM 1668 C CB . VAL A 1 218 ? 18.850 20.522 11.575 1.00 49.21 ? 218 VAL A CB 1 ATOM 1669 C CG1 . VAL A 1 218 ? 20.215 19.951 11.930 1.00 51.12 ? 218 VAL A CG1 1 ATOM 1670 C CG2 . VAL A 1 218 ? 17.867 19.495 11.095 1.00 48.09 ? 218 VAL A CG2 1 ATOM 1671 N N . TRP A 1 219 ? 18.244 23.404 11.414 1.00 49.22 ? 219 TRP A N 1 ATOM 1672 C CA . TRP A 1 219 ? 17.738 24.440 10.538 1.00 48.93 ? 219 TRP A CA 1 ATOM 1673 C C . TRP A 1 219 ? 18.632 24.408 9.288 1.00 48.30 ? 219 TRP A C 1 ATOM 1674 O O . TRP A 1 219 ? 19.871 24.448 9.374 1.00 47.33 ? 219 TRP A O 1 ATOM 1675 C CB . TRP A 1 219 ? 17.819 25.753 11.297 1.00 49.48 ? 219 TRP A CB 1 ATOM 1676 C CG . TRP A 1 219 ? 17.256 26.986 10.652 1.00 51.04 ? 219 TRP A CG 1 ATOM 1677 C CD1 . TRP A 1 219 ? 16.026 27.532 10.885 1.00 52.13 ? 219 TRP A CD1 1 ATOM 1678 C CD2 . TRP A 1 219 ? 17.934 27.900 9.759 1.00 51.91 ? 219 TRP A CD2 1 ATOM 1679 N NE1 . TRP A 1 219 ? 15.880 28.702 10.179 1.00 52.79 ? 219 TRP A NE1 1 ATOM 1680 C CE2 . TRP A 1 219 ? 17.030 28.950 9.472 1.00 52.53 ? 219 TRP A CE2 1 ATOM 1681 C CE3 . TRP A 1 219 ? 19.204 27.924 9.161 1.00 52.11 ? 219 TRP A CE3 1 ATOM 1682 C CZ2 . TRP A 1 219 ? 17.357 30.019 8.614 1.00 51.34 ? 219 TRP A CZ2 1 ATOM 1683 C CZ3 . TRP A 1 219 ? 19.530 28.996 8.309 1.00 51.85 ? 219 TRP A CZ3 1 ATOM 1684 C CH2 . TRP A 1 219 ? 18.606 30.021 8.046 1.00 50.77 ? 219 TRP A CH2 1 ATOM 1685 N N . VAL A 1 220 ? 17.999 24.273 8.128 1.00 47.75 ? 220 VAL A N 1 ATOM 1686 C CA . VAL A 1 220 ? 18.723 24.271 6.865 1.00 47.22 ? 220 VAL A CA 1 ATOM 1687 C C . VAL A 1 220 ? 17.967 25.146 5.884 1.00 46.96 ? 220 VAL A C 1 ATOM 1688 O O . VAL A 1 220 ? 16.798 24.881 5.614 1.00 47.71 ? 220 VAL A O 1 ATOM 1689 C CB . VAL A 1 220 ? 18.883 22.851 6.294 1.00 47.27 ? 220 VAL A CB 1 ATOM 1690 C CG1 . VAL A 1 220 ? 19.543 22.884 4.897 1.00 46.21 ? 220 VAL A CG1 1 ATOM 1691 C CG2 . VAL A 1 220 ? 19.684 21.979 7.270 1.00 47.27 ? 220 VAL A CG2 1 ATOM 1692 N N . MET A 1 221 ? 18.620 26.182 5.358 1.00 45.73 ? 221 MET A N 1 ATOM 1693 C CA . MET A 1 221 ? 17.934 27.142 4.514 1.00 45.54 ? 221 MET A CA 1 ATOM 1694 C C . MET A 1 221 ? 18.835 27.627 3.389 1.00 44.87 ? 221 MET A C 1 ATOM 1695 O O . MET A 1 221 ? 20.051 27.799 3.575 1.00 45.55 ? 221 MET A O 1 ATOM 1696 C CB . MET A 1 221 ? 17.491 28.334 5.359 1.00 45.98 ? 221 MET A CB 1 ATOM 1697 C CG . MET A 1 221 ? 16.344 29.120 4.815 1.00 48.60 ? 221 MET A CG 1 ATOM 1698 S SD . MET A 1 221 ? 14.860 28.116 4.769 1.00 54.73 ? 221 MET A SD 1 ATOM 1699 C CE . MET A 1 221 ? 14.424 28.067 6.525 1.00 57.30 ? 221 MET A CE 1 ATOM 1700 N N . TRP A 1 222 ? 18.251 27.854 2.219 1.00 43.33 ? 222 TRP A N 1 ATOM 1701 C CA . TRP A 1 222 ? 19.018 28.444 1.144 1.00 42.51 ? 222 TRP A CA 1 ATOM 1702 C C . TRP A 1 222 ? 18.910 29.971 1.241 1.00 42.56 ? 222 TRP A C 1 ATOM 1703 O O . TRP A 1 222 ? 17.809 30.535 1.333 1.00 42.44 ? 222 TRP A O 1 ATOM 1704 C CB . TRP A 1 222 ? 18.531 27.944 -0.212 1.00 41.80 ? 222 TRP A CB 1 ATOM 1705 C CG . TRP A 1 222 ? 19.061 26.596 -0.642 1.00 40.39 ? 222 TRP A CG 1 ATOM 1706 C CD1 . TRP A 1 222 ? 18.440 25.383 -0.506 1.00 38.32 ? 222 TRP A CD1 1 ATOM 1707 C CD2 . TRP A 1 222 ? 20.301 26.341 -1.339 1.00 39.17 ? 222 TRP A CD2 1 ATOM 1708 N NE1 . TRP A 1 222 ? 19.227 24.385 -1.055 1.00 38.38 ? 222 TRP A NE1 1 ATOM 1709 C CE2 . TRP A 1 222 ? 20.366 24.948 -1.577 1.00 37.91 ? 222 TRP A CE2 1 ATOM 1710 C CE3 . TRP A 1 222 ? 21.373 27.160 -1.768 1.00 37.20 ? 222 TRP A CE3 1 ATOM 1711 C CZ2 . TRP A 1 222 ? 21.451 24.357 -2.220 1.00 39.51 ? 222 TRP A CZ2 1 ATOM 1712 C CZ3 . TRP A 1 222 ? 22.458 26.575 -2.386 1.00 38.07 ? 222 TRP A CZ3 1 ATOM 1713 C CH2 . TRP A 1 222 ? 22.494 25.189 -2.615 1.00 40.37 ? 222 TRP A CH2 1 ATOM 1714 N N . MET A 1 223 ? 20.060 30.631 1.230 1.00 42.34 ? 223 MET A N 1 ATOM 1715 C CA . MET A 1 223 ? 20.150 32.076 1.467 1.00 42.04 ? 223 MET A CA 1 ATOM 1716 C C . MET A 1 223 ? 20.653 32.841 0.252 1.00 42.02 ? 223 MET A C 1 ATOM 1717 O O . MET A 1 223 ? 21.447 32.336 -0.533 1.00 41.36 ? 223 MET A O 1 ATOM 1718 C CB . MET A 1 223 ? 21.114 32.371 2.621 1.00 41.99 ? 223 MET A CB 1 ATOM 1719 C CG . MET A 1 223 ? 20.967 31.497 3.856 1.00 41.68 ? 223 MET A CG 1 ATOM 1720 S SD . MET A 1 223 ? 19.502 31.905 4.779 1.00 43.43 ? 223 MET A SD 1 ATOM 1721 C CE . MET A 1 223 ? 19.917 33.526 5.460 1.00 44.84 ? 223 MET A CE 1 ATOM 1722 N N . ARG A 1 224 ? 20.173 34.070 0.117 1.00 42.55 ? 224 ARG A N 1 ATOM 1723 C CA . ARG A 1 224 ? 20.787 35.053 -0.731 1.00 43.12 ? 224 ARG A CA 1 ATOM 1724 C C . ARG A 1 224 ? 21.091 36.223 0.210 1.00 43.55 ? 224 ARG A C 1 ATOM 1725 O O . ARG A 1 224 ? 20.198 36.962 0.629 1.00 43.71 ? 224 ARG A O 1 ATOM 1726 C CB . ARG A 1 224 ? 19.839 35.428 -1.852 1.00 42.87 ? 224 ARG A CB 1 ATOM 1727 C CG . ARG A 1 224 ? 20.503 36.120 -2.998 1.00 45.13 ? 224 ARG A CG 1 ATOM 1728 C CD . ARG A 1 224 ? 19.476 36.453 -4.079 1.00 49.05 ? 224 ARG A CD 1 ATOM 1729 N NE . ARG A 1 224 ? 19.059 35.256 -4.803 1.00 49.42 ? 224 ARG A NE 1 ATOM 1730 C CZ . ARG A 1 224 ? 19.774 34.715 -5.786 1.00 50.38 ? 224 ARG A CZ 1 ATOM 1731 N NH1 . ARG A 1 224 ? 20.934 35.270 -6.148 1.00 48.23 ? 224 ARG A NH1 1 ATOM 1732 N NH2 . ARG A 1 224 ? 19.335 33.619 -6.396 1.00 50.18 ? 224 ARG A NH2 1 ATOM 1733 N N . GLY A 1 225 ? 22.356 36.349 0.590 1.00 43.99 ? 225 GLY A N 1 ATOM 1734 C CA . GLY A 1 225 ? 22.737 37.267 1.657 1.00 44.46 ? 225 GLY A CA 1 ATOM 1735 C C . GLY A 1 225 ? 22.024 36.923 2.953 1.00 44.70 ? 225 GLY A C 1 ATOM 1736 O O . GLY A 1 225 ? 22.168 35.827 3.478 1.00 44.49 ? 225 GLY A O 1 ATOM 1737 N N . ASP A 1 226 ? 21.239 37.876 3.437 1.00 45.59 ? 226 ASP A N 1 ATOM 1738 C CA . ASP A 1 226 ? 20.427 37.759 4.653 1.00 46.19 ? 226 ASP A CA 1 ATOM 1739 C C . ASP A 1 226 ? 18.994 37.259 4.414 1.00 45.55 ? 226 ASP A C 1 ATOM 1740 O O . ASP A 1 226 ? 18.296 36.876 5.357 1.00 44.75 ? 226 ASP A O 1 ATOM 1741 C CB . ASP A 1 226 ? 20.351 39.139 5.313 1.00 47.39 ? 226 ASP A CB 1 ATOM 1742 C CG . ASP A 1 226 ? 21.129 39.201 6.613 1.00 49.81 ? 226 ASP A CG 1 ATOM 1743 O OD1 . ASP A 1 226 ? 21.822 38.192 6.938 1.00 48.64 ? 226 ASP A OD1 1 ATOM 1744 O OD2 . ASP A 1 226 ? 21.019 40.258 7.299 1.00 51.70 ? 226 ASP A OD2 1 ATOM 1745 N N . GLN A 1 227 ? 18.574 37.289 3.146 1.00 45.15 ? 227 GLN A N 1 ATOM 1746 C CA . GLN A 1 227 ? 17.238 36.891 2.717 1.00 45.11 ? 227 GLN A CA 1 ATOM 1747 C C . GLN A 1 227 ? 17.136 35.365 2.543 1.00 44.58 ? 227 GLN A C 1 ATOM 1748 O O . GLN A 1 227 ? 17.821 34.746 1.701 1.00 44.32 ? 227 GLN A O 1 ATOM 1749 C CB . GLN A 1 227 ? 16.856 37.610 1.413 1.00 44.79 ? 227 GLN A CB 1 ATOM 1750 C CG . GLN A 1 227 ? 15.457 37.249 0.873 1.00 46.56 ? 227 GLN A CG 1 ATOM 1751 C CD . GLN A 1 227 ? 15.248 37.611 -0.622 1.00 46.65 ? 227 GLN A CD 1 ATOM 1752 O OE1 . GLN A 1 227 ? 14.536 38.578 -0.947 1.00 48.46 ? 227 GLN A OE1 1 ATOM 1753 N NE2 . GLN A 1 227 ? 15.870 36.838 -1.519 1.00 44.74 ? 227 GLN A NE2 1 ATOM 1754 N N . GLU A 1 228 ? 16.272 34.779 3.357 1.00 43.37 ? 228 GLU A N 1 ATOM 1755 C CA . GLU A 1 228 ? 15.949 33.384 3.262 1.00 42.69 ? 228 GLU A CA 1 ATOM 1756 C C . GLU A 1 228 ? 15.227 33.149 1.949 1.00 41.79 ? 228 GLU A C 1 ATOM 1757 O O . GLU A 1 228 ? 14.264 33.845 1.632 1.00 42.06 ? 228 GLU A O 1 ATOM 1758 C CB . GLU A 1 228 ? 15.085 32.975 4.463 1.00 42.55 ? 228 GLU A CB 1 ATOM 1759 C CG . GLU A 1 228 ? 15.801 33.188 5.801 1.00 43.59 ? 228 GLU A CG 1 ATOM 1760 C CD . GLU A 1 228 ? 14.986 32.800 7.011 1.00 44.52 ? 228 GLU A CD 1 ATOM 1761 O OE1 . GLU A 1 228 ? 15.296 33.293 8.117 1.00 45.75 ? 228 GLU A OE1 1 ATOM 1762 O OE2 . GLU A 1 228 ? 14.042 31.991 6.868 1.00 49.36 ? 228 GLU A OE2 1 ATOM 1763 N N . GLN A 1 229 ? 15.723 32.190 1.169 1.00 40.74 ? 229 GLN A N 1 ATOM 1764 C CA . GLN A 1 229 ? 15.057 31.760 -0.050 1.00 39.42 ? 229 GLN A CA 1 ATOM 1765 C C . GLN A 1 229 ? 13.883 30.841 0.308 1.00 38.68 ? 229 GLN A C 1 ATOM 1766 O O . GLN A 1 229 ? 14.053 29.662 0.577 1.00 37.67 ? 229 GLN A O 1 ATOM 1767 C CB . GLN A 1 229 ? 16.047 31.034 -0.976 1.00 39.55 ? 229 GLN A CB 1 ATOM 1768 C CG . GLN A 1 229 ? 17.170 31.883 -1.505 1.00 38.58 ? 229 GLN A CG 1 ATOM 1769 C CD . GLN A 1 229 ? 16.677 33.192 -2.003 1.00 38.64 ? 229 GLN A CD 1 ATOM 1770 O OE1 . GLN A 1 229 ? 16.513 34.139 -1.232 1.00 39.73 ? 229 GLN A OE1 1 ATOM 1771 N NE2 . GLN A 1 229 ? 16.422 33.267 -3.299 1.00 39.21 ? 229 GLN A NE2 1 ATOM 1772 N N . GLN A 1 230 ? 12.677 31.378 0.275 1.00 38.22 ? 230 GLN A N 1 ATOM 1773 C CA . GLN A 1 230 ? 11.550 30.615 0.779 1.00 37.92 ? 230 GLN A CA 1 ATOM 1774 C C . GLN A 1 230 ? 11.229 29.396 -0.074 1.00 38.10 ? 230 GLN A C 1 ATOM 1775 O O . GLN A 1 230 ? 10.452 28.541 0.357 1.00 37.98 ? 230 GLN A O 1 ATOM 1776 C CB . GLN A 1 230 ? 10.326 31.510 0.948 1.00 37.91 ? 230 GLN A CB 1 ATOM 1777 C CG . GLN A 1 230 ? 10.463 32.489 2.050 1.00 35.76 ? 230 GLN A CG 1 ATOM 1778 C CD . GLN A 1 230 ? 9.510 33.567 1.917 1.00 35.69 ? 230 GLN A CD 1 ATOM 1779 O OE1 . GLN A 1 230 ? 8.793 33.880 2.840 1.00 37.17 ? 230 GLN A OE1 1 ATOM 1780 N NE2 . GLN A 1 230 ? 9.467 34.168 0.753 1.00 40.38 ? 230 GLN A NE2 1 ATOM 1781 N N . GLY A 1 231 ? 11.831 29.323 -1.266 1.00 38.09 ? 231 GLY A N 1 ATOM 1782 C CA . GLY A 1 231 ? 11.727 28.159 -2.147 1.00 37.98 ? 231 GLY A CA 1 ATOM 1783 C C . GLY A 1 231 ? 12.404 26.904 -1.595 1.00 38.63 ? 231 GLY A C 1 ATOM 1784 O O . GLY A 1 231 ? 12.130 25.778 -2.057 1.00 37.82 ? 231 GLY A O 1 ATOM 1785 N N . THR A 1 232 ? 13.297 27.094 -0.616 1.00 39.36 ? 232 THR A N 1 ATOM 1786 C CA . THR A 1 232 ? 13.917 25.986 0.110 1.00 40.08 ? 232 THR A CA 1 ATOM 1787 C C . THR A 1 232 ? 12.898 24.894 0.394 1.00 40.57 ? 232 THR A C 1 ATOM 1788 O O . THR A 1 232 ? 11.833 25.168 0.940 1.00 40.30 ? 232 THR A O 1 ATOM 1789 C CB . THR A 1 232 ? 14.567 26.447 1.441 1.00 39.85 ? 232 THR A CB 1 ATOM 1790 O OG1 . THR A 1 232 ? 15.564 27.427 1.159 1.00 41.67 ? 232 THR A OG1 1 ATOM 1791 C CG2 . THR A 1 232 ? 15.270 25.294 2.137 1.00 38.52 ? 232 THR A CG2 1 ATOM 1792 N N . HIS A 1 233 ? 13.227 23.664 -0.015 1.00 41.56 ? 233 HIS A N 1 ATOM 1793 C CA . HIS A 1 233 ? 12.331 22.504 0.138 1.00 41.74 ? 233 HIS A CA 1 ATOM 1794 C C . HIS A 1 233 ? 13.029 21.417 0.929 1.00 42.33 ? 233 HIS A C 1 ATOM 1795 O O . HIS A 1 233 ? 13.889 20.712 0.403 1.00 42.20 ? 233 HIS A O 1 ATOM 1796 C CB . HIS A 1 233 ? 11.815 22.001 -1.226 1.00 40.94 ? 233 HIS A CB 1 ATOM 1797 C CG . HIS A 1 233 ? 10.730 20.970 -1.126 1.00 41.86 ? 233 HIS A CG 1 ATOM 1798 N ND1 . HIS A 1 233 ? 10.250 20.283 -2.224 1.00 43.01 ? 233 HIS A ND1 1 ATOM 1799 C CD2 . HIS A 1 233 ? 10.047 20.485 -0.056 1.00 40.80 ? 233 HIS A CD2 1 ATOM 1800 C CE1 . HIS A 1 233 ? 9.309 19.436 -1.836 1.00 40.79 ? 233 HIS A CE1 1 ATOM 1801 N NE2 . HIS A 1 233 ? 9.174 19.535 -0.525 1.00 40.04 ? 233 HIS A NE2 1 ATOM 1802 N N . ARG A 1 234 ? 12.643 21.309 2.199 1.00 43.82 ? 234 ARG A N 1 ATOM 1803 C CA . ARG A 1 234 ? 13.211 20.355 3.169 1.00 45.96 ? 234 ARG A CA 1 ATOM 1804 C C . ARG A 1 234 ? 12.707 18.918 2.928 1.00 45.25 ? 234 ARG A C 1 ATOM 1805 O O . ARG A 1 234 ? 11.494 18.664 2.870 1.00 44.58 ? 234 ARG A O 1 ATOM 1806 C CB . ARG A 1 234 ? 12.852 20.817 4.596 1.00 46.06 ? 234 ARG A CB 1 ATOM 1807 C CG . ARG A 1 234 ? 13.890 20.564 5.675 1.00 48.84 ? 234 ARG A CG 1 ATOM 1808 C CD . ARG A 1 234 ? 13.368 21.016 7.083 1.00 50.06 ? 234 ARG A CD 1 ATOM 1809 N NE . ARG A 1 234 ? 12.912 19.898 7.932 1.00 55.75 ? 234 ARG A NE 1 ATOM 1810 C CZ . ARG A 1 234 ? 11.658 19.450 7.975 1.00 60.01 ? 234 ARG A CZ 1 ATOM 1811 N NH1 . ARG A 1 234 ? 10.715 20.035 7.233 1.00 63.77 ? 234 ARG A NH1 1 ATOM 1812 N NH2 . ARG A 1 234 ? 11.329 18.424 8.756 1.00 60.18 ? 234 ARG A NH2 1 ATOM 1813 N N . GLY A 1 235 ? 13.648 17.987 2.766 1.00 45.59 ? 235 GLY A N 1 ATOM 1814 C CA . GLY A 1 235 ? 13.325 16.567 2.632 1.00 45.63 ? 235 GLY A CA 1 ATOM 1815 C C . GLY A 1 235 ? 12.984 16.027 4.008 1.00 46.19 ? 235 GLY A C 1 ATOM 1816 O O . GLY A 1 235 ? 12.868 16.793 4.964 1.00 46.97 ? 235 GLY A O 1 ATOM 1817 N N . ASP A 1 236 ? 12.809 14.717 4.130 1.00 46.17 ? 236 ASP A N 1 ATOM 1818 C CA . ASP A 1 236 ? 12.538 14.127 5.438 1.00 45.73 ? 236 ASP A CA 1 ATOM 1819 C C . ASP A 1 236 ? 13.844 13.833 6.156 1.00 44.91 ? 236 ASP A C 1 ATOM 1820 O O . ASP A 1 236 ? 14.880 13.714 5.509 1.00 45.51 ? 236 ASP A O 1 ATOM 1821 C CB . ASP A 1 236 ? 11.709 12.852 5.282 1.00 46.01 ? 236 ASP A CB 1 ATOM 1822 C CG . ASP A 1 236 ? 10.319 13.124 4.749 1.00 47.86 ? 236 ASP A CG 1 ATOM 1823 O OD1 . ASP A 1 236 ? 9.709 14.168 5.081 1.00 53.78 ? 236 ASP A OD1 1 ATOM 1824 O OD2 . ASP A 1 236 ? 9.819 12.298 3.983 1.00 49.22 ? 236 ASP A OD2 1 ATOM 1825 N N . PHE A 1 237 ? 13.803 13.715 7.484 1.00 43.83 ? 237 PHE A N 1 ATOM 1826 C CA . PHE A 1 237 ? 14.966 13.231 8.241 1.00 43.10 ? 237 PHE A CA 1 ATOM 1827 C C . PHE A 1 237 ? 15.147 11.772 7.918 1.00 42.50 ? 237 PHE A C 1 ATOM 1828 O O . PHE A 1 237 ? 14.189 10.982 8.060 1.00 42.48 ? 237 PHE A O 1 ATOM 1829 C CB . PHE A 1 237 ? 14.775 13.400 9.741 1.00 42.94 ? 237 PHE A CB 1 ATOM 1830 C CG . PHE A 1 237 ? 14.858 14.822 10.196 1.00 43.66 ? 237 PHE A CG 1 ATOM 1831 C CD1 . PHE A 1 237 ? 16.057 15.339 10.667 1.00 43.44 ? 237 PHE A CD1 1 ATOM 1832 C CD2 . PHE A 1 237 ? 13.738 15.658 10.138 1.00 43.88 ? 237 PHE A CD2 1 ATOM 1833 C CE1 . PHE A 1 237 ? 16.145 16.672 11.090 1.00 44.40 ? 237 PHE A CE1 1 ATOM 1834 C CE2 . PHE A 1 237 ? 13.813 17.003 10.562 1.00 45.23 ? 237 PHE A CE2 1 ATOM 1835 C CZ . PHE A 1 237 ? 15.027 17.522 11.031 1.00 43.14 ? 237 PHE A CZ 1 ATOM 1836 N N . LEU A 1 238 ? 16.346 11.440 7.442 1.00 41.11 ? 238 LEU A N 1 ATOM 1837 C CA . LEU A 1 238 ? 16.709 10.095 7.032 1.00 40.71 ? 238 LEU A CA 1 ATOM 1838 C C . LEU A 1 238 ? 17.756 9.589 8.009 1.00 40.85 ? 238 LEU A C 1 ATOM 1839 O O . LEU A 1 238 ? 18.691 10.319 8.344 1.00 41.53 ? 238 LEU A O 1 ATOM 1840 C CB . LEU A 1 238 ? 17.299 10.121 5.605 1.00 40.49 ? 238 LEU A CB 1 ATOM 1841 C CG . LEU A 1 238 ? 16.425 10.747 4.504 1.00 39.74 ? 238 LEU A CG 1 ATOM 1842 C CD1 . LEU A 1 238 ? 17.010 10.567 3.047 1.00 34.28 ? 238 LEU A CD1 1 ATOM 1843 C CD2 . LEU A 1 238 ? 14.994 10.183 4.632 1.00 35.20 ? 238 LEU A CD2 1 ATOM 1844 N N . PRO A 1 239 ? 17.611 8.359 8.506 1.00 40.71 ? 239 PRO A N 1 ATOM 1845 C CA . PRO A 1 239 ? 18.623 7.911 9.463 1.00 40.74 ? 239 PRO A CA 1 ATOM 1846 C C . PRO A 1 239 ? 19.926 7.470 8.829 1.00 41.58 ? 239 PRO A C 1 ATOM 1847 O O . PRO A 1 239 ? 19.896 6.784 7.792 1.00 42.81 ? 239 PRO A O 1 ATOM 1848 C CB . PRO A 1 239 ? 17.958 6.710 10.154 1.00 40.25 ? 239 PRO A CB 1 ATOM 1849 C CG . PRO A 1 239 ? 17.009 6.195 9.187 1.00 40.14 ? 239 PRO A CG 1 ATOM 1850 C CD . PRO A 1 239 ? 16.552 7.359 8.306 1.00 40.55 ? 239 PRO A CD 1 ATOM 1851 N N . ASN A 1 240 ? 21.060 7.825 9.448 1.00 41.69 ? 240 ASN A N 1 ATOM 1852 C CA . ASN A 1 240 ? 22.311 7.131 9.152 1.00 41.68 ? 240 ASN A CA 1 ATOM 1853 C C . ASN A 1 240 ? 22.381 5.907 10.045 1.00 42.12 ? 240 ASN A C 1 ATOM 1854 O O . ASN A 1 240 ? 21.530 5.711 10.928 1.00 41.98 ? 240 ASN A O 1 ATOM 1855 C CB . ASN A 1 240 ? 23.526 8.016 9.389 1.00 42.07 ? 240 ASN A CB 1 ATOM 1856 C CG . ASN A 1 240 ? 23.663 9.119 8.354 1.00 41.95 ? 240 ASN A CG 1 ATOM 1857 O OD1 . ASN A 1 240 ? 23.497 8.888 7.143 1.00 40.87 ? 240 ASN A OD1 1 ATOM 1858 N ND2 . ASN A 1 240 ? 23.965 10.327 8.827 1.00 38.12 ? 240 ASN A ND2 1 ATOM 1859 N N . ALA A 1 241 ? 23.383 5.062 9.820 1.00 42.53 ? 241 ALA A N 1 ATOM 1860 C CA . ALA A 1 241 ? 23.508 3.827 10.606 1.00 42.75 ? 241 ALA A CA 1 ATOM 1861 C C . ALA A 1 241 ? 24.351 3.974 11.893 1.00 43.24 ? 241 ALA A C 1 ATOM 1862 O O . ALA A 1 241 ? 24.411 3.032 12.676 1.00 43.37 ? 241 ALA A O 1 ATOM 1863 C CB . ALA A 1 241 ? 24.041 2.726 9.745 1.00 42.22 ? 241 ALA A CB 1 ATOM 1864 N N . ASP A 1 242 ? 24.992 5.138 12.088 1.00 43.27 ? 242 ASP A N 1 ATOM 1865 C CA . ASP A 1 242 ? 25.849 5.416 13.242 1.00 43.73 ? 242 ASP A CA 1 ATOM 1866 C C . ASP A 1 242 ? 25.161 6.312 14.289 1.00 44.51 ? 242 ASP A C 1 ATOM 1867 O O . ASP A 1 242 ? 25.831 7.045 15.049 1.00 44.17 ? 242 ASP A O 1 ATOM 1868 C CB . ASP A 1 242 ? 27.199 6.007 12.800 1.00 43.17 ? 242 ASP A CB 1 ATOM 1869 C CG . ASP A 1 242 ? 27.055 7.366 12.173 1.00 43.33 ? 242 ASP A CG 1 ATOM 1870 O OD1 . ASP A 1 242 ? 25.943 7.688 11.737 1.00 41.25 ? 242 ASP A OD1 1 ATOM 1871 O OD2 . ASP A 1 242 ? 28.042 8.129 12.103 1.00 45.05 ? 242 ASP A OD2 1 ATOM 1872 N N . GLU A 1 243 ? 23.826 6.222 14.318 1.00 45.12 ? 243 GLU A N 1 ATOM 1873 C CA . GLU A 1 243 ? 22.964 6.982 15.235 1.00 45.83 ? 243 GLU A CA 1 ATOM 1874 C C . GLU A 1 243 ? 23.204 8.477 15.083 1.00 45.90 ? 243 GLU A C 1 ATOM 1875 O O . GLU A 1 243 ? 23.396 9.216 16.069 1.00 46.48 ? 243 GLU A O 1 ATOM 1876 C CB . GLU A 1 243 ? 23.078 6.467 16.686 1.00 45.77 ? 243 GLU A CB 1 ATOM 1877 C CG . GLU A 1 243 ? 22.444 5.073 16.835 1.00 45.92 ? 243 GLU A CG 1 ATOM 1878 C CD . GLU A 1 243 ? 22.649 4.400 18.179 1.00 47.73 ? 243 GLU A CD 1 ATOM 1879 O OE1 . GLU A 1 243 ? 21.717 3.671 18.576 1.00 50.05 ? 243 GLU A OE1 1 ATOM 1880 O OE2 . GLU A 1 243 ? 23.711 4.554 18.838 1.00 50.24 ? 243 GLU A OE2 1 ATOM 1881 N N . THR A 1 244 ? 23.234 8.886 13.811 1.00 45.30 ? 244 THR A N 1 ATOM 1882 C CA . THR A 1 244 ? 23.152 10.280 13.405 1.00 44.69 ? 244 THR A CA 1 ATOM 1883 C C . THR A 1 244 ? 22.077 10.470 12.304 1.00 44.48 ? 244 THR A C 1 ATOM 1884 O O . THR A 1 244 ? 21.504 9.486 11.778 1.00 44.90 ? 244 THR A O 1 ATOM 1885 C CB . THR A 1 244 ? 24.528 10.818 12.951 1.00 44.90 ? 244 THR A CB 1 ATOM 1886 O OG1 . THR A 1 244 ? 24.933 10.132 11.761 1.00 46.03 ? 244 THR A OG1 1 ATOM 1887 C CG2 . THR A 1 244 ? 25.608 10.662 14.066 1.00 42.96 ? 244 THR A CG2 1 ATOM 1888 N N . TRP A 1 245 ? 21.804 11.726 11.959 1.00 43.31 ? 245 TRP A N 1 ATOM 1889 C CA . TRP A 1 245 ? 20.735 12.054 11.017 1.00 42.71 ? 245 TRP A CA 1 ATOM 1890 C C . TRP A 1 245 ? 21.227 12.626 9.714 1.00 42.71 ? 245 TRP A C 1 ATOM 1891 O O . TRP A 1 245 ? 22.331 13.156 9.613 1.00 42.30 ? 245 TRP A O 1 ATOM 1892 C CB . TRP A 1 245 ? 19.759 13.047 11.640 1.00 42.14 ? 245 TRP A CB 1 ATOM 1893 C CG . TRP A 1 245 ? 18.901 12.411 12.672 1.00 42.59 ? 245 TRP A CG 1 ATOM 1894 C CD1 . TRP A 1 245 ? 19.039 12.502 14.042 1.00 41.73 ? 245 TRP A CD1 1 ATOM 1895 C CD2 . TRP A 1 245 ? 17.783 11.539 12.436 1.00 41.80 ? 245 TRP A CD2 1 ATOM 1896 N NE1 . TRP A 1 245 ? 18.047 11.758 14.664 1.00 43.21 ? 245 TRP A NE1 1 ATOM 1897 C CE2 . TRP A 1 245 ? 17.272 11.154 13.710 1.00 42.18 ? 245 TRP A CE2 1 ATOM 1898 C CE3 . TRP A 1 245 ? 17.189 11.011 11.278 1.00 39.80 ? 245 TRP A CE3 1 ATOM 1899 C CZ2 . TRP A 1 245 ? 16.172 10.307 13.854 1.00 42.05 ? 245 TRP A CZ2 1 ATOM 1900 C CZ3 . TRP A 1 245 ? 16.085 10.155 11.425 1.00 41.50 ? 245 TRP A CZ3 1 ATOM 1901 C CH2 . TRP A 1 245 ? 15.583 9.826 12.701 1.00 42.07 ? 245 TRP A CH2 1 ATOM 1902 N N . TYR A 1 246 ? 20.362 12.531 8.719 1.00 43.48 ? 246 TYR A N 1 ATOM 1903 C CA . TYR A 1 246 ? 20.629 13.063 7.397 1.00 44.26 ? 246 TYR A CA 1 ATOM 1904 C C . TYR A 1 246 ? 19.417 13.826 6.969 1.00 44.18 ? 246 TYR A C 1 ATOM 1905 O O . TYR A 1 246 ? 18.313 13.417 7.221 1.00 44.36 ? 246 TYR A O 1 ATOM 1906 C CB . TYR A 1 246 ? 20.887 11.922 6.407 1.00 44.08 ? 246 TYR A CB 1 ATOM 1907 C CG . TYR A 1 246 ? 21.140 12.350 4.971 1.00 43.39 ? 246 TYR A CG 1 ATOM 1908 C CD1 . TYR A 1 246 ? 22.415 12.307 4.434 1.00 41.54 ? 246 TYR A CD1 1 ATOM 1909 C CD2 . TYR A 1 246 ? 20.091 12.756 4.142 1.00 43.36 ? 246 TYR A CD2 1 ATOM 1910 C CE1 . TYR A 1 246 ? 22.656 12.687 3.127 1.00 42.40 ? 246 TYR A CE1 1 ATOM 1911 C CE2 . TYR A 1 246 ? 20.319 13.129 2.816 1.00 42.22 ? 246 TYR A CE2 1 ATOM 1912 C CZ . TYR A 1 246 ? 21.606 13.099 2.327 1.00 43.20 ? 246 TYR A CZ 1 ATOM 1913 O OH . TYR A 1 246 ? 21.856 13.474 1.044 1.00 43.62 ? 246 TYR A OH 1 ATOM 1914 N N . LEU A 1 247 ? 19.639 14.935 6.299 1.00 44.88 ? 247 LEU A N 1 ATOM 1915 C CA . LEU A 1 247 ? 18.565 15.725 5.733 1.00 45.49 ? 247 LEU A CA 1 ATOM 1916 C C . LEU A 1 247 ? 19.161 16.451 4.536 1.00 45.88 ? 247 LEU A C 1 ATOM 1917 O O . LEU A 1 247 ? 20.362 16.766 4.519 1.00 45.72 ? 247 LEU A O 1 ATOM 1918 C CB . LEU A 1 247 ? 18.072 16.759 6.754 1.00 45.32 ? 247 LEU A CB 1 ATOM 1919 C CG . LEU A 1 247 ? 16.899 17.674 6.408 1.00 45.82 ? 247 LEU A CG 1 ATOM 1920 C CD1 . LEU A 1 247 ? 15.635 17.063 6.943 1.00 46.61 ? 247 LEU A CD1 1 ATOM 1921 C CD2 . LEU A 1 247 ? 17.072 19.028 7.033 1.00 46.96 ? 247 LEU A CD2 1 ATOM 1922 N N . GLN A 1 248 ? 18.328 16.709 3.535 1.00 45.66 ? 248 GLN A N 1 ATOM 1923 C CA . GLN A 1 248 ? 18.709 17.621 2.481 1.00 45.33 ? 248 GLN A CA 1 ATOM 1924 C C . GLN A 1 248 ? 17.602 18.641 2.178 1.00 44.72 ? 248 GLN A C 1 ATOM 1925 O O . GLN A 1 248 ? 16.399 18.365 2.327 1.00 44.25 ? 248 GLN A O 1 ATOM 1926 C CB . GLN A 1 248 ? 19.153 16.867 1.230 1.00 45.48 ? 248 GLN A CB 1 ATOM 1927 C CG . GLN A 1 248 ? 18.043 16.161 0.479 1.00 47.92 ? 248 GLN A CG 1 ATOM 1928 C CD . GLN A 1 248 ? 18.577 15.145 -0.514 1.00 50.80 ? 248 GLN A CD 1 ATOM 1929 O OE1 . GLN A 1 248 ? 19.614 14.518 -0.286 1.00 53.18 ? 248 GLN A OE1 1 ATOM 1930 N NE2 . GLN A 1 248 ? 17.870 14.974 -1.619 1.00 50.14 ? 248 GLN A NE2 1 ATOM 1931 N N . ALA A 1 249 ? 18.038 19.822 1.758 1.00 43.78 ? 249 ALA A N 1 ATOM 1932 C CA . ALA A 1 249 ? 17.145 20.893 1.355 1.00 42.77 ? 249 ALA A CA 1 ATOM 1933 C C . ALA A 1 249 ? 17.459 21.309 -0.086 1.00 42.29 ? 249 ALA A C 1 ATOM 1934 O O . ALA A 1 249 ? 18.602 21.737 -0.424 1.00 43.06 ? 249 ALA A O 1 ATOM 1935 C CB . ALA A 1 249 ? 17.290 22.054 2.297 1.00 42.38 ? 249 ALA A CB 1 ATOM 1936 N N . THR A 1 250 ? 16.466 21.158 -0.950 1.00 40.70 ? 250 THR A N 1 ATOM 1937 C CA . THR A 1 250 ? 16.650 21.528 -2.350 1.00 39.17 ? 250 THR A CA 1 ATOM 1938 C C . THR A 1 250 ? 16.062 22.930 -2.648 1.00 38.81 ? 250 THR A C 1 ATOM 1939 O O . THR A 1 250 ? 15.166 23.420 -1.922 1.00 38.04 ? 250 THR A O 1 ATOM 1940 C CB . THR A 1 250 ? 15.979 20.517 -3.279 1.00 38.90 ? 250 THR A CB 1 ATOM 1941 O OG1 . THR A 1 250 ? 14.573 20.551 -3.047 1.00 40.70 ? 250 THR A OG1 1 ATOM 1942 C CG2 . THR A 1 250 ? 16.479 19.141 -3.067 1.00 35.52 ? 250 THR A CG2 1 ATOM 1943 N N . LEU A 1 251 ? 16.568 23.554 -3.715 1.00 38.00 ? 251 LEU A N 1 ATOM 1944 C CA . LEU A 1 251 ? 16.099 24.860 -4.192 1.00 37.79 ? 251 LEU A CA 1 ATOM 1945 C C . LEU A 1 251 ? 16.084 24.867 -5.716 1.00 38.93 ? 251 LEU A C 1 ATOM 1946 O O . LEU A 1 251 ? 17.099 24.641 -6.353 1.00 38.16 ? 251 LEU A O 1 ATOM 1947 C CB . LEU A 1 251 ? 16.971 26.032 -3.651 1.00 36.94 ? 251 LEU A CB 1 ATOM 1948 C CG . LEU A 1 251 ? 16.540 27.421 -4.145 1.00 35.80 ? 251 LEU A CG 1 ATOM 1949 C CD1 . LEU A 1 251 ? 15.197 27.830 -3.561 1.00 34.94 ? 251 LEU A CD1 1 ATOM 1950 C CD2 . LEU A 1 251 ? 17.550 28.506 -3.904 1.00 36.71 ? 251 LEU A CD2 1 ATOM 1951 N N . ASP A 1 252 ? 14.929 25.121 -6.303 1.00 41.20 ? 252 ASP A N 1 ATOM 1952 C CA . ASP A 1 252 ? 14.871 25.197 -7.740 1.00 43.78 ? 252 ASP A CA 1 ATOM 1953 C C . ASP A 1 252 ? 15.220 26.616 -8.177 1.00 44.73 ? 252 ASP A C 1 ATOM 1954 O O . ASP A 1 252 ? 14.670 27.580 -7.638 1.00 45.40 ? 252 ASP A O 1 ATOM 1955 C CB . ASP A 1 252 ? 13.514 24.756 -8.288 1.00 44.12 ? 252 ASP A CB 1 ATOM 1956 C CG . ASP A 1 252 ? 13.517 24.686 -9.832 1.00 48.27 ? 252 ASP A CG 1 ATOM 1957 O OD1 . ASP A 1 252 ? 13.861 25.718 -10.456 1.00 48.91 ? 252 ASP A OD1 1 ATOM 1958 O OD2 . ASP A 1 252 ? 13.195 23.613 -10.430 1.00 51.41 ? 252 ASP A OD2 1 ATOM 1959 N N . VAL A 1 253 ? 16.139 26.752 -9.136 1.00 45.18 ? 253 VAL A N 1 ATOM 1960 C CA . VAL A 1 253 ? 16.566 28.070 -9.581 1.00 45.90 ? 253 VAL A CA 1 ATOM 1961 C C . VAL A 1 253 ? 16.679 28.152 -11.084 1.00 47.12 ? 253 VAL A C 1 ATOM 1962 O O . VAL A 1 253 ? 16.778 27.142 -11.759 1.00 46.94 ? 253 VAL A O 1 ATOM 1963 C CB . VAL A 1 253 ? 17.907 28.507 -8.964 1.00 45.53 ? 253 VAL A CB 1 ATOM 1964 C CG1 . VAL A 1 253 ? 17.881 28.353 -7.462 1.00 45.53 ? 253 VAL A CG1 1 ATOM 1965 C CG2 . VAL A 1 253 ? 19.030 27.735 -9.555 1.00 44.99 ? 253 VAL A CG2 1 ATOM 1966 N N . GLU A 1 254 ? 16.672 29.368 -11.602 1.00 48.98 ? 254 GLU A N 1 ATOM 1967 C CA . GLU A 1 254 ? 16.825 29.573 -13.031 1.00 51.32 ? 254 GLU A CA 1 ATOM 1968 C C . GLU A 1 254 ? 18.297 29.684 -13.369 1.00 52.24 ? 254 GLU A C 1 ATOM 1969 O O . GLU A 1 254 ? 19.060 30.267 -12.596 1.00 52.57 ? 254 GLU A O 1 ATOM 1970 C CB . GLU A 1 254 ? 16.113 30.847 -13.476 1.00 51.36 ? 254 GLU A CB 1 ATOM 1971 C CG . GLU A 1 254 ? 14.641 30.874 -13.163 1.00 53.32 ? 254 GLU A CG 1 ATOM 1972 C CD . GLU A 1 254 ? 13.920 32.023 -13.845 1.00 56.58 ? 254 GLU A CD 1 ATOM 1973 O OE1 . GLU A 1 254 ? 14.578 33.047 -14.157 1.00 59.00 ? 254 GLU A OE1 1 ATOM 1974 O OE2 . GLU A 1 254 ? 12.692 31.897 -14.071 1.00 57.34 ? 254 GLU A OE2 1 ATOM 1975 N N . ALA A 1 255 ? 18.680 29.139 -14.528 1.00 53.54 ? 255 ALA A N 1 ATOM 1976 C CA . ALA A 1 255 ? 20.054 29.241 -15.054 1.00 54.57 ? 255 ALA A CA 1 ATOM 1977 C C . ALA A 1 255 ? 20.569 30.691 -15.026 1.00 55.04 ? 255 ALA A C 1 ATOM 1978 O O . ALA A 1 255 ? 19.861 31.619 -15.447 1.00 55.22 ? 255 ALA A O 1 ATOM 1979 C CB . ALA A 1 255 ? 20.136 28.659 -16.481 1.00 54.64 ? 255 ALA A CB 1 ATOM 1980 N N . GLY A 1 256 ? 21.786 30.880 -14.507 1.00 55.36 ? 256 GLY A N 1 ATOM 1981 C CA . GLY A 1 256 ? 22.361 32.217 -14.345 1.00 55.49 ? 256 GLY A CA 1 ATOM 1982 C C . GLY A 1 256 ? 22.054 32.811 -12.981 1.00 55.51 ? 256 GLY A C 1 ATOM 1983 O O . GLY A 1 256 ? 22.913 33.459 -12.376 1.00 55.86 ? 256 GLY A O 1 ATOM 1984 N N . GLU A 1 257 ? 20.836 32.572 -12.491 1.00 54.99 ? 257 GLU A N 1 ATOM 1985 C CA . GLU A 1 257 ? 20.360 33.116 -11.212 1.00 54.77 ? 257 GLU A CA 1 ATOM 1986 C C . GLU A 1 257 ? 20.946 32.421 -9.943 1.00 53.55 ? 257 GLU A C 1 ATOM 1987 O O . GLU A 1 257 ? 20.574 32.727 -8.818 1.00 52.93 ? 257 GLU A O 1 ATOM 1988 C CB . GLU A 1 257 ? 18.841 33.067 -11.211 1.00 55.17 ? 257 GLU A CB 1 ATOM 1989 C CG . GLU A 1 257 ? 18.171 34.027 -10.267 1.00 57.57 ? 257 GLU A CG 1 ATOM 1990 C CD . GLU A 1 257 ? 16.877 33.456 -9.709 1.00 60.27 ? 257 GLU A CD 1 ATOM 1991 O OE1 . GLU A 1 257 ? 16.895 32.278 -9.233 1.00 59.32 ? 257 GLU A OE1 1 ATOM 1992 O OE2 . GLU A 1 257 ? 15.856 34.196 -9.755 1.00 60.05 ? 257 GLU A OE2 1 ATOM 1993 N N . GLU A 1 258 ? 21.903 31.526 -10.165 1.00 52.71 ? 258 GLU A N 1 ATOM 1994 C CA . GLU A 1 258 ? 22.522 30.684 -9.151 1.00 51.65 ? 258 GLU A CA 1 ATOM 1995 C C . GLU A 1 258 ? 23.510 31.439 -8.283 1.00 50.99 ? 258 GLU A C 1 ATOM 1996 O O . GLU A 1 258 ? 23.710 31.080 -7.116 1.00 51.07 ? 258 GLU A O 1 ATOM 1997 C CB . GLU A 1 258 ? 23.271 29.547 -9.847 1.00 51.72 ? 258 GLU A CB 1 ATOM 1998 C CG . GLU A 1 258 ? 22.374 28.534 -10.550 1.00 52.74 ? 258 GLU A CG 1 ATOM 1999 C CD . GLU A 1 258 ? 22.724 28.324 -12.018 1.00 55.47 ? 258 GLU A CD 1 ATOM 2000 O OE1 . GLU A 1 258 ? 23.272 29.253 -12.658 1.00 55.76 ? 258 GLU A OE1 1 ATOM 2001 O OE2 . GLU A 1 258 ? 22.415 27.234 -12.550 1.00 57.46 ? 258 GLU A OE2 1 ATOM 2002 N N . ALA A 1 259 ? 24.130 32.472 -8.854 1.00 49.71 ? 259 ALA A N 1 ATOM 2003 C CA . ALA A 1 259 ? 25.224 33.213 -8.205 1.00 48.54 ? 259 ALA A CA 1 ATOM 2004 C C . ALA A 1 259 ? 24.783 33.933 -6.925 1.00 47.66 ? 259 ALA A C 1 ATOM 2005 O O . ALA A 1 259 ? 23.728 34.573 -6.903 1.00 47.57 ? 259 ALA A O 1 ATOM 2006 C CB . ALA A 1 259 ? 25.832 34.206 -9.198 1.00 48.56 ? 259 ALA A CB 1 ATOM 2007 N N . GLY A 1 260 ? 25.579 33.815 -5.863 1.00 46.80 ? 260 GLY A N 1 ATOM 2008 C CA . GLY A 1 260 ? 25.238 34.402 -4.551 1.00 45.56 ? 260 GLY A CA 1 ATOM 2009 C C . GLY A 1 260 ? 24.323 33.576 -3.645 1.00 45.08 ? 260 GLY A C 1 ATOM 2010 O O . GLY A 1 260 ? 24.082 33.944 -2.493 1.00 45.18 ? 260 GLY A O 1 ATOM 2011 N N . LEU A 1 261 ? 23.802 32.459 -4.145 1.00 44.28 ? 261 LEU A N 1 ATOM 2012 C CA . LEU A 1 261 ? 23.048 31.560 -3.298 1.00 43.59 ? 261 LEU A CA 1 ATOM 2013 C C . LEU A 1 261 ? 24.001 30.833 -2.356 1.00 44.05 ? 261 LEU A C 1 ATOM 2014 O O . LEU A 1 261 ? 25.090 30.393 -2.772 1.00 44.29 ? 261 LEU A O 1 ATOM 2015 C CB . LEU A 1 261 ? 22.249 30.571 -4.126 1.00 42.92 ? 261 LEU A CB 1 ATOM 2016 C CG . LEU A 1 261 ? 20.986 31.118 -4.774 1.00 43.60 ? 261 LEU A CG 1 ATOM 2017 C CD1 . LEU A 1 261 ? 20.423 30.145 -5.788 1.00 42.82 ? 261 LEU A CD1 1 ATOM 2018 C CD2 . LEU A 1 261 ? 19.919 31.506 -3.733 1.00 43.27 ? 261 LEU A CD2 1 ATOM 2019 N N . ALA A 1 262 ? 23.599 30.738 -1.087 1.00 44.01 ? 262 ALA A N 1 ATOM 2020 C CA . ALA A 1 262 ? 24.319 29.990 -0.053 1.00 44.00 ? 262 ALA A CA 1 ATOM 2021 C C . ALA A 1 262 ? 23.399 28.977 0.648 1.00 44.46 ? 262 ALA A C 1 ATOM 2022 O O . ALA A 1 262 ? 22.195 29.131 0.659 1.00 45.14 ? 262 ALA A O 1 ATOM 2023 C CB . ALA A 1 262 ? 24.918 30.939 0.974 1.00 42.88 ? 262 ALA A CB 1 ATOM 2024 N N . CYS A 1 263 ? 23.962 27.943 1.244 1.00 45.36 ? 263 CYS A N 1 ATOM 2025 C CA . CYS A 1 263 ? 23.196 27.085 2.119 1.00 46.36 ? 263 CYS A CA 1 ATOM 2026 C C . CYS A 1 263 ? 23.721 27.319 3.523 1.00 46.90 ? 263 CYS A C 1 ATOM 2027 O O . CYS A 1 263 ? 24.937 27.251 3.760 1.00 47.12 ? 263 CYS A O 1 ATOM 2028 C CB . CYS A 1 263 ? 23.350 25.604 1.726 1.00 46.71 ? 263 CYS A CB 1 ATOM 2029 S SG . CYS A 1 263 ? 22.427 24.551 2.854 1.00 47.21 ? 263 CYS A SG 1 ATOM 2030 N N . ARG A 1 264 ? 22.821 27.617 4.446 1.00 47.40 ? 264 ARG A N 1 ATOM 2031 C CA . ARG A 1 264 ? 23.231 27.842 5.821 1.00 48.29 ? 264 ARG A CA 1 ATOM 2032 C C . ARG A 1 264 ? 22.569 26.847 6.762 1.00 48.23 ? 264 ARG A C 1 ATOM 2033 O O . ARG A 1 264 ? 21.336 26.752 6.792 1.00 48.72 ? 264 ARG A O 1 ATOM 2034 C CB . ARG A 1 264 ? 22.887 29.263 6.266 1.00 48.38 ? 264 ARG A CB 1 ATOM 2035 C CG . ARG A 1 264 ? 23.486 29.593 7.626 1.00 51.00 ? 264 ARG A CG 1 ATOM 2036 C CD . ARG A 1 264 ? 22.685 30.602 8.406 1.00 53.24 ? 264 ARG A CD 1 ATOM 2037 N NE . ARG A 1 264 ? 22.981 31.933 7.924 1.00 55.46 ? 264 ARG A NE 1 ATOM 2038 C CZ . ARG A 1 264 ? 23.716 32.846 8.553 1.00 55.45 ? 264 ARG A CZ 1 ATOM 2039 N NH1 . ARG A 1 264 ? 24.232 32.618 9.756 1.00 53.53 ? 264 ARG A NH1 1 ATOM 2040 N NH2 . ARG A 1 264 ? 23.912 34.016 7.953 1.00 55.40 ? 264 ARG A NH2 1 ATOM 2041 N N . VAL A 1 265 ? 23.368 26.118 7.537 1.00 48.01 ? 265 VAL A N 1 ATOM 2042 C CA . VAL A 1 265 ? 22.783 25.221 8.531 1.00 47.88 ? 265 VAL A CA 1 ATOM 2043 C C . VAL A 1 265 ? 23.113 25.564 9.982 1.00 47.77 ? 265 VAL A C 1 ATOM 2044 O O . VAL A 1 265 ? 24.247 25.928 10.319 1.00 48.25 ? 265 VAL A O 1 ATOM 2045 C CB . VAL A 1 265 ? 23.040 23.701 8.248 1.00 48.52 ? 265 VAL A CB 1 ATOM 2046 C CG1 . VAL A 1 265 ? 23.383 23.422 6.764 1.00 47.27 ? 265 VAL A CG1 1 ATOM 2047 C CG2 . VAL A 1 265 ? 24.063 23.123 9.195 1.00 48.35 ? 265 VAL A CG2 1 ATOM 2048 N N . LYS A 1 266 ? 22.092 25.472 10.822 1.00 47.33 ? 266 LYS A N 1 ATOM 2049 C CA . LYS A 1 266 ? 22.195 25.760 12.258 1.00 47.23 ? 266 LYS A CA 1 ATOM 2050 C C . LYS A 1 266 ? 21.935 24.454 13.047 1.00 46.88 ? 266 LYS A C 1 ATOM 2051 O O . LYS A 1 266 ? 20.934 23.726 12.777 1.00 46.87 ? 266 LYS A O 1 ATOM 2052 C CB . LYS A 1 266 ? 21.161 26.801 12.683 1.00 47.43 ? 266 LYS A CB 1 ATOM 2053 C CG . LYS A 1 266 ? 21.150 28.117 11.917 1.00 47.69 ? 266 LYS A CG 1 ATOM 2054 C CD . LYS A 1 266 ? 20.150 29.099 12.570 1.00 48.03 ? 266 LYS A CD 1 ATOM 2055 C CE . LYS A 1 266 ? 19.976 30.408 11.769 1.00 47.78 ? 266 LYS A CE 1 ATOM 2056 N NZ . LYS A 1 266 ? 21.040 31.408 12.021 1.00 46.47 ? 266 LYS A NZ 1 ATOM 2057 N N . HIS A 1 267 ? 22.835 24.144 13.990 1.00 45.42 ? 267 HIS A N 1 ATOM 2058 C CA . HIS A 1 267 ? 22.693 22.951 14.807 1.00 44.88 ? 267 HIS A CA 1 ATOM 2059 C C . HIS A 1 267 ? 23.312 23.263 16.127 1.00 44.64 ? 267 HIS A C 1 ATOM 2060 O O . HIS A 1 267 ? 24.234 24.046 16.175 1.00 45.02 ? 267 HIS A O 1 ATOM 2061 C CB . HIS A 1 267 ? 23.370 21.731 14.167 1.00 44.70 ? 267 HIS A CB 1 ATOM 2062 C CG . HIS A 1 267 ? 23.089 20.435 14.880 1.00 44.83 ? 267 HIS A CG 1 ATOM 2063 N ND1 . HIS A 1 267 ? 23.892 19.956 15.894 1.00 45.16 ? 267 HIS A ND1 1 ATOM 2064 C CD2 . HIS A 1 267 ? 22.090 19.529 14.736 1.00 41.96 ? 267 HIS A CD2 1 ATOM 2065 C CE1 . HIS A 1 267 ? 23.403 18.811 16.339 1.00 42.20 ? 267 HIS A CE1 1 ATOM 2066 N NE2 . HIS A 1 267 ? 22.307 18.535 15.659 1.00 41.13 ? 267 HIS A NE2 1 ATOM 2067 N N . SER A 1 268 ? 22.824 22.629 17.186 1.00 44.51 ? 268 SER A N 1 ATOM 2068 C CA . SER A 1 268 ? 23.233 22.927 18.569 1.00 44.25 ? 268 SER A CA 1 ATOM 2069 C C . SER A 1 268 ? 24.718 22.627 18.886 1.00 44.37 ? 268 SER A C 1 ATOM 2070 O O . SER A 1 268 ? 25.299 23.180 19.827 1.00 43.78 ? 268 SER A O 1 ATOM 2071 C CB . SER A 1 268 ? 22.321 22.167 19.530 1.00 43.50 ? 268 SER A CB 1 ATOM 2072 O OG . SER A 1 268 ? 22.471 20.781 19.325 1.00 42.97 ? 268 SER A OG 1 ATOM 2073 N N . SER A 1 269 ? 25.322 21.762 18.078 1.00 44.75 ? 269 SER A N 1 ATOM 2074 C CA . SER A 1 269 ? 26.696 21.310 18.296 1.00 44.84 ? 269 SER A CA 1 ATOM 2075 C C . SER A 1 269 ? 27.750 22.173 17.571 1.00 45.63 ? 269 SER A C 1 ATOM 2076 O O . SER A 1 269 ? 28.957 21.948 17.725 1.00 45.40 ? 269 SER A O 1 ATOM 2077 C CB . SER A 1 269 ? 26.822 19.874 17.818 1.00 44.22 ? 269 SER A CB 1 ATOM 2078 O OG . SER A 1 269 ? 26.701 19.838 16.414 1.00 42.52 ? 269 SER A OG 1 ATOM 2079 N N . LEU A 1 270 ? 27.293 23.139 16.775 1.00 46.51 ? 270 LEU A N 1 ATOM 2080 C CA . LEU A 1 270 ? 28.180 23.953 15.936 1.00 47.63 ? 270 LEU A CA 1 ATOM 2081 C C . LEU A 1 270 ? 28.675 25.159 16.719 1.00 48.66 ? 270 LEU A C 1 ATOM 2082 O O . LEU A 1 270 ? 29.602 25.870 16.294 1.00 48.93 ? 270 LEU A O 1 ATOM 2083 C CB . LEU A 1 270 ? 27.451 24.431 14.687 1.00 47.41 ? 270 LEU A CB 1 ATOM 2084 C CG . LEU A 1 270 ? 27.176 23.447 13.562 1.00 47.24 ? 270 LEU A CG 1 ATOM 2085 C CD1 . LEU A 1 270 ? 26.427 24.185 12.440 1.00 46.26 ? 270 LEU A CD1 1 ATOM 2086 C CD2 . LEU A 1 270 ? 28.488 22.827 13.069 1.00 47.76 ? 270 LEU A CD2 1 ATOM 2087 N N . GLY A 1 271 ? 28.009 25.393 17.849 1.00 49.50 ? 271 GLY A N 1 ATOM 2088 C CA . GLY A 1 271 ? 28.398 26.405 18.822 1.00 49.88 ? 271 GLY A CA 1 ATOM 2089 C C . GLY A 1 271 ? 27.996 27.806 18.444 1.00 50.08 ? 271 GLY A C 1 ATOM 2090 O O . GLY A 1 271 ? 28.704 28.754 18.792 1.00 50.74 ? 271 GLY A O 1 ATOM 2091 N N . GLY A 1 272 ? 26.881 27.959 17.733 1.00 49.85 ? 272 GLY A N 1 ATOM 2092 C CA . GLY A 1 272 ? 26.474 29.301 17.267 1.00 49.57 ? 272 GLY A CA 1 ATOM 2093 C C . GLY A 1 272 ? 27.194 29.822 16.026 1.00 49.13 ? 272 GLY A C 1 ATOM 2094 O O . GLY A 1 272 ? 26.991 30.963 15.626 1.00 49.78 ? 272 GLY A O 1 ATOM 2095 N N . GLN A 1 273 ? 28.034 28.991 15.420 1.00 48.68 ? 273 GLN A N 1 ATOM 2096 C CA . GLN A 1 273 ? 28.678 29.299 14.152 1.00 48.21 ? 273 GLN A CA 1 ATOM 2097 C C . GLN A 1 273 ? 28.103 28.423 13.034 1.00 47.21 ? 273 GLN A C 1 ATOM 2098 O O . GLN A 1 273 ? 28.591 27.320 12.760 1.00 47.02 ? 273 GLN A O 1 ATOM 2099 C CB . GLN A 1 273 ? 30.193 29.097 14.259 1.00 48.60 ? 273 GLN A CB 1 ATOM 2100 C CG . GLN A 1 273 ? 30.949 29.160 12.911 1.00 50.80 ? 273 GLN A CG 1 ATOM 2101 C CD . GLN A 1 273 ? 31.031 30.559 12.349 1.00 54.37 ? 273 GLN A CD 1 ATOM 2102 O OE1 . GLN A 1 273 ? 30.138 31.010 11.616 1.00 55.81 ? 273 GLN A OE1 1 ATOM 2103 N NE2 . GLN A 1 273 ? 32.103 31.265 12.695 1.00 54.65 ? 273 GLN A NE2 1 ATOM 2104 N N . ASP A 1 274 ? 27.071 28.920 12.373 1.00 46.53 ? 274 ASP A N 1 ATOM 2105 C CA . ASP A 1 274 ? 26.459 28.152 11.296 1.00 45.84 ? 274 ASP A CA 1 ATOM 2106 C C . ASP A 1 274 ? 27.482 27.735 10.245 1.00 45.23 ? 274 ASP A C 1 ATOM 2107 O O . ASP A 1 274 ? 28.501 28.395 10.043 1.00 45.07 ? 274 ASP A O 1 ATOM 2108 C CB . ASP A 1 274 ? 25.318 28.942 10.650 1.00 45.84 ? 274 ASP A CB 1 ATOM 2109 C CG . ASP A 1 274 ? 24.391 29.568 11.671 1.00 45.64 ? 274 ASP A CG 1 ATOM 2110 O OD1 . ASP A 1 274 ? 24.303 29.046 12.803 1.00 44.67 ? 274 ASP A OD1 1 ATOM 2111 O OD2 . ASP A 1 274 ? 23.733 30.571 11.339 1.00 46.03 ? 274 ASP A OD2 1 ATOM 2112 N N . ILE A 1 275 ? 27.216 26.609 9.607 1.00 44.72 ? 275 ILE A N 1 ATOM 2113 C CA . ILE A 1 275 ? 27.922 26.228 8.404 1.00 44.35 ? 275 ILE A CA 1 ATOM 2114 C C . ILE A 1 275 ? 27.306 27.033 7.255 1.00 44.24 ? 275 ILE A C 1 ATOM 2115 O O . ILE A 1 275 ? 26.069 27.057 7.062 1.00 43.95 ? 275 ILE A O 1 ATOM 2116 C CB . ILE A 1 275 ? 27.756 24.711 8.150 1.00 44.61 ? 275 ILE A CB 1 ATOM 2117 C CG1 . ILE A 1 275 ? 28.810 23.920 8.927 1.00 44.71 ? 275 ILE A CG1 1 ATOM 2118 C CG2 . ILE A 1 275 ? 27.786 24.360 6.642 1.00 44.37 ? 275 ILE A CG2 1 ATOM 2119 C CD1 . ILE A 1 275 ? 28.423 22.482 9.107 1.00 45.07 ? 275 ILE A CD1 1 ATOM 2120 N N . ILE A 1 276 ? 28.145 27.726 6.504 1.00 43.76 ? 276 ILE A N 1 ATOM 2121 C CA . ILE A 1 276 ? 27.630 28.373 5.299 1.00 43.82 ? 276 ILE A CA 1 ATOM 2122 C C . ILE A 1 276 ? 28.412 27.934 4.074 1.00 43.84 ? 276 ILE A C 1 ATOM 2123 O O . ILE A 1 276 ? 29.622 28.124 4.009 1.00 43.89 ? 276 ILE A O 1 ATOM 2124 C CB . ILE A 1 276 ? 27.540 29.932 5.427 1.00 43.97 ? 276 ILE A CB 1 ATOM 2125 C CG1 . ILE A 1 276 ? 26.911 30.324 6.782 1.00 43.33 ? 276 ILE A CG1 1 ATOM 2126 C CG2 . ILE A 1 276 ? 26.754 30.515 4.249 1.00 42.92 ? 276 ILE A CG2 1 ATOM 2127 C CD1 . ILE A 1 276 ? 26.982 31.786 7.129 1.00 42.72 ? 276 ILE A CD1 1 ATOM 2128 N N . LEU A 1 277 ? 27.716 27.328 3.119 1.00 44.00 ? 277 LEU A N 1 ATOM 2129 C CA . LEU A 1 277 ? 28.350 26.952 1.860 1.00 44.54 ? 277 LEU A CA 1 ATOM 2130 C C . LEU A 1 277 ? 27.874 27.895 0.799 1.00 45.51 ? 277 LEU A C 1 ATOM 2131 O O . LEU A 1 277 ? 26.754 28.368 0.878 1.00 46.51 ? 277 LEU A O 1 ATOM 2132 C CB . LEU A 1 277 ? 28.007 25.518 1.465 1.00 43.97 ? 277 LEU A CB 1 ATOM 2133 C CG . LEU A 1 277 ? 28.440 24.479 2.504 1.00 43.05 ? 277 LEU A CG 1 ATOM 2134 C CD1 . LEU A 1 277 ? 27.985 23.105 2.059 1.00 41.85 ? 277 LEU A CD1 1 ATOM 2135 C CD2 . LEU A 1 277 ? 29.945 24.528 2.783 1.00 39.23 ? 277 LEU A CD2 1 ATOM 2136 N N . TYR A 1 278 ? 28.723 28.176 -0.188 1.00 46.03 ? 278 TYR A N 1 ATOM 2137 C CA . TYR A 1 278 ? 28.376 29.044 -1.300 1.00 46.09 ? 278 TYR A CA 1 ATOM 2138 C C . TYR A 1 278 ? 28.353 28.246 -2.575 1.00 46.91 ? 278 TYR A C 1 ATOM 2139 O O . TYR A 1 278 ? 29.322 27.561 -2.891 1.00 47.30 ? 278 TYR A O 1 ATOM 2140 C CB . TYR A 1 278 ? 29.373 30.215 -1.397 1.00 45.90 ? 278 TYR A CB 1 ATOM 2141 C CG . TYR A 1 278 ? 29.307 31.028 -0.144 1.00 45.33 ? 278 TYR A CG 1 ATOM 2142 C CD1 . TYR A 1 278 ? 30.022 30.627 0.982 1.00 44.95 ? 278 TYR A CD1 1 ATOM 2143 C CD2 . TYR A 1 278 ? 28.455 32.132 -0.044 1.00 43.33 ? 278 TYR A CD2 1 ATOM 2144 C CE1 . TYR A 1 278 ? 29.929 31.293 2.161 1.00 44.01 ? 278 TYR A CE1 1 ATOM 2145 C CE2 . TYR A 1 278 ? 28.350 32.826 1.141 1.00 44.48 ? 278 TYR A CE2 1 ATOM 2146 C CZ . TYR A 1 278 ? 29.101 32.391 2.252 1.00 45.56 ? 278 TYR A CZ 1 ATOM 2147 O OH . TYR A 1 278 ? 29.052 33.044 3.467 1.00 46.13 ? 278 TYR A OH 1 ATOM 2148 N N . TRP A 1 279 ? 27.239 28.319 -3.297 1.00 47.67 ? 279 TRP A N 1 ATOM 2149 C CA . TRP A 1 279 ? 27.199 27.842 -4.670 1.00 48.14 ? 279 TRP A CA 1 ATOM 2150 C C . TRP A 1 279 ? 28.110 28.691 -5.582 1.00 48.50 ? 279 TRP A C 1 ATOM 2151 O O . TRP A 1 279 ? 29.075 28.175 -6.143 1.00 48.78 ? 279 TRP A O 1 ATOM 2152 C CB . TRP A 1 279 ? 25.761 27.803 -5.198 1.00 48.85 ? 279 TRP A CB 1 ATOM 2153 C CG . TRP A 1 279 ? 25.687 27.084 -6.492 1.00 49.24 ? 279 TRP A CG 1 ATOM 2154 C CD1 . TRP A 1 279 ? 25.554 27.645 -7.710 1.00 50.30 ? 279 TRP A CD1 1 ATOM 2155 C CD2 . TRP A 1 279 ? 25.805 25.673 -6.705 1.00 49.24 ? 279 TRP A CD2 1 ATOM 2156 N NE1 . TRP A 1 279 ? 25.562 26.679 -8.682 1.00 50.87 ? 279 TRP A NE1 1 ATOM 2157 C CE2 . TRP A 1 279 ? 25.719 25.455 -8.092 1.00 50.65 ? 279 TRP A CE2 1 ATOM 2158 C CE3 . TRP A 1 279 ? 25.980 24.572 -5.858 1.00 50.56 ? 279 TRP A CE3 1 ATOM 2159 C CZ2 . TRP A 1 279 ? 25.803 24.171 -8.665 1.00 50.52 ? 279 TRP A CZ2 1 ATOM 2160 C CZ3 . TRP A 1 279 ? 26.066 23.287 -6.421 1.00 50.66 ? 279 TRP A CZ3 1 ATOM 2161 C CH2 . TRP A 1 279 ? 25.979 23.103 -7.811 1.00 50.72 ? 279 TRP A CH2 1 ATOM 2162 N N . GLN B 2 2 ? -2.142 -3.101 2.976 1.00 45.78 ? 2 GLN B N 1 ATOM 2163 C CA . GLN B 2 2 ? -1.025 -3.405 2.016 1.00 46.05 ? 2 GLN B CA 1 ATOM 2164 C C . GLN B 2 2 ? -0.415 -2.184 1.299 1.00 46.21 ? 2 GLN B C 1 ATOM 2165 O O . GLN B 2 2 ? -0.949 -1.726 0.299 1.00 45.89 ? 2 GLN B O 1 ATOM 2166 C CB . GLN B 2 2 ? -1.435 -4.483 1.007 1.00 45.74 ? 2 GLN B CB 1 ATOM 2167 C CG . GLN B 2 2 ? -0.320 -4.847 -0.001 1.00 46.38 ? 2 GLN B CG 1 ATOM 2168 C CD . GLN B 2 2 ? -0.341 -6.328 -0.438 1.00 48.68 ? 2 GLN B CD 1 ATOM 2169 O OE1 . GLN B 2 2 ? -0.725 -6.667 -1.575 1.00 45.17 ? 2 GLN B OE1 1 ATOM 2170 N NE2 . GLN B 2 2 ? 0.061 -7.216 0.483 1.00 47.97 ? 2 GLN B NE2 1 ATOM 2171 N N . LYS B 2 3 ? 0.722 -1.694 1.808 1.00 46.58 ? 3 LYS B N 1 ATOM 2172 C CA . LYS B 2 3 ? 1.334 -0.416 1.364 1.00 46.64 ? 3 LYS B CA 1 ATOM 2173 C C . LYS B 2 3 ? 2.650 -0.605 0.585 1.00 46.19 ? 3 LYS B C 1 ATOM 2174 O O . LYS B 2 3 ? 3.455 -1.482 0.908 1.00 46.59 ? 3 LYS B O 1 ATOM 2175 C CB . LYS B 2 3 ? 1.618 0.475 2.581 1.00 47.72 ? 3 LYS B CB 1 ATOM 2176 C CG . LYS B 2 3 ? 0.416 1.051 3.364 1.00 48.97 ? 3 LYS B CG 1 ATOM 2177 C CD . LYS B 2 3 ? 0.783 1.226 4.852 1.00 49.47 ? 3 LYS B CD 1 ATOM 2178 C CE . LYS B 2 3 ? -0.463 1.484 5.776 1.00 51.90 ? 3 LYS B CE 1 ATOM 2179 N NZ . LYS B 2 3 ? -0.204 1.161 7.270 1.00 52.31 ? 3 LYS B NZ 1 ATOM 2180 N N . THR B 2 4 ? 2.886 0.232 -0.420 1.00 45.55 ? 4 THR B N 1 ATOM 2181 C CA . THR B 2 4 ? 4.102 0.142 -1.252 1.00 44.66 ? 4 THR B CA 1 ATOM 2182 C C . THR B 2 4 ? 5.331 0.780 -0.584 1.00 44.09 ? 4 THR B C 1 ATOM 2183 O O . THR B 2 4 ? 5.224 1.848 0.001 1.00 44.31 ? 4 THR B O 1 ATOM 2184 C CB . THR B 2 4 ? 3.855 0.761 -2.639 1.00 44.75 ? 4 THR B CB 1 ATOM 2185 O OG1 . THR B 2 4 ? 2.965 -0.088 -3.379 1.00 45.15 ? 4 THR B OG1 1 ATOM 2186 C CG2 . THR B 2 4 ? 5.142 0.912 -3.424 1.00 45.05 ? 4 THR B CG2 1 ATOM 2187 N N . PRO B 2 5 ? 6.500 0.106 -0.642 1.00 43.66 ? 5 PRO B N 1 ATOM 2188 C CA . PRO B 2 5 ? 7.722 0.695 -0.137 1.00 42.95 ? 5 PRO B CA 1 ATOM 2189 C C . PRO B 2 5 ? 8.244 1.864 -0.954 1.00 43.11 ? 5 PRO B C 1 ATOM 2190 O O . PRO B 2 5 ? 8.202 1.860 -2.207 1.00 42.30 ? 5 PRO B O 1 ATOM 2191 C CB . PRO B 2 5 ? 8.718 -0.459 -0.185 1.00 42.31 ? 5 PRO B CB 1 ATOM 2192 C CG . PRO B 2 5 ? 8.221 -1.298 -1.238 1.00 43.64 ? 5 PRO B CG 1 ATOM 2193 C CD . PRO B 2 5 ? 6.746 -1.265 -1.118 1.00 43.56 ? 5 PRO B CD 1 ATOM 2194 N N . GLN B 2 6 ? 8.723 2.864 -0.206 1.00 43.29 ? 6 GLN B N 1 ATOM 2195 C CA . GLN B 2 6 ? 9.456 3.986 -0.757 1.00 43.27 ? 6 GLN B CA 1 ATOM 2196 C C . GLN B 2 6 ? 10.935 3.768 -0.474 1.00 42.64 ? 6 GLN B C 1 ATOM 2197 O O . GLN B 2 6 ? 11.298 3.193 0.539 1.00 41.87 ? 6 GLN B O 1 ATOM 2198 C CB . GLN B 2 6 ? 8.914 5.314 -0.218 1.00 43.40 ? 6 GLN B CB 1 ATOM 2199 C CG . GLN B 2 6 ? 7.385 5.536 -0.510 1.00 45.90 ? 6 GLN B CG 1 ATOM 2200 C CD . GLN B 2 6 ? 7.021 5.453 -2.017 1.00 49.16 ? 6 GLN B CD 1 ATOM 2201 O OE1 . GLN B 2 6 ? 6.436 4.454 -2.483 1.00 50.15 ? 6 GLN B OE1 1 ATOM 2202 N NE2 . GLN B 2 6 ? 7.400 6.490 -2.782 1.00 47.53 ? 6 GLN B NE2 1 ATOM 2203 N N . ILE B 2 7 ? 11.770 4.177 -1.425 1.00 42.98 ? 7 ILE B N 1 ATOM 2204 C CA . ILE B 2 7 ? 13.219 3.995 -1.348 1.00 43.29 ? 7 ILE B CA 1 ATOM 2205 C C . ILE B 2 7 ? 14.038 5.293 -1.527 1.00 43.42 ? 7 ILE B C 1 ATOM 2206 O O . ILE B 2 7 ? 13.935 5.997 -2.560 1.00 43.25 ? 7 ILE B O 1 ATOM 2207 C CB . ILE B 2 7 ? 13.707 2.949 -2.359 1.00 43.07 ? 7 ILE B CB 1 ATOM 2208 C CG1 . ILE B 2 7 ? 13.018 1.612 -2.122 1.00 43.62 ? 7 ILE B CG1 1 ATOM 2209 C CG2 . ILE B 2 7 ? 15.233 2.747 -2.272 1.00 43.47 ? 7 ILE B CG2 1 ATOM 2210 C CD1 . ILE B 2 7 ? 13.246 0.662 -3.252 1.00 45.37 ? 7 ILE B CD1 1 ATOM 2211 N N . GLN B 2 8 ? 14.863 5.566 -0.513 1.00 43.32 ? 8 GLN B N 1 ATOM 2212 C CA . GLN B 2 8 ? 15.836 6.660 -0.540 1.00 43.58 ? 8 GLN B CA 1 ATOM 2213 C C . GLN B 2 8 ? 17.267 6.168 -0.375 1.00 43.53 ? 8 GLN B C 1 ATOM 2214 O O . GLN B 2 8 ? 17.600 5.520 0.616 1.00 43.88 ? 8 GLN B O 1 ATOM 2215 C CB . GLN B 2 8 ? 15.478 7.734 0.481 1.00 42.61 ? 8 GLN B CB 1 ATOM 2216 C CG . GLN B 2 8 ? 14.224 8.461 0.022 1.00 45.91 ? 8 GLN B CG 1 ATOM 2217 C CD . GLN B 2 8 ? 13.529 9.283 1.095 1.00 49.57 ? 8 GLN B CD 1 ATOM 2218 O OE1 . GLN B 2 8 ? 13.056 8.748 2.113 1.00 49.22 ? 8 GLN B OE1 1 ATOM 2219 N NE2 . GLN B 2 8 ? 13.412 10.592 0.843 1.00 49.89 ? 8 GLN B NE2 1 ATOM 2220 N N . VAL B 2 9 ? 18.089 6.462 -1.383 1.00 43.19 ? 9 VAL B N 1 ATOM 2221 C CA . VAL B 2 9 ? 19.485 6.090 -1.380 1.00 42.65 ? 9 VAL B CA 1 ATOM 2222 C C . VAL B 2 9 ? 20.397 7.325 -1.236 1.00 42.52 ? 9 VAL B C 1 ATOM 2223 O O . VAL B 2 9 ? 20.419 8.204 -2.107 1.00 43.53 ? 9 VAL B O 1 ATOM 2224 C CB . VAL B 2 9 ? 19.879 5.362 -2.693 1.00 42.89 ? 9 VAL B CB 1 ATOM 2225 C CG1 . VAL B 2 9 ? 21.314 4.840 -2.583 1.00 44.23 ? 9 VAL B CG1 1 ATOM 2226 C CG2 . VAL B 2 9 ? 18.933 4.225 -3.029 1.00 41.47 ? 9 VAL B CG2 1 ATOM 2227 N N . TYR B 2 10 ? 21.212 7.352 -0.190 1.00 41.38 ? 10 TYR B N 1 ATOM 2228 C CA . TYR B 2 10 ? 22.101 8.462 0.090 1.00 39.35 ? 10 TYR B CA 1 ATOM 2229 C C . TYR B 2 10 ? 23.417 7.984 0.741 1.00 39.87 ? 10 TYR B C 1 ATOM 2230 O O . TYR B 2 10 ? 23.489 6.898 1.339 1.00 39.56 ? 10 TYR B O 1 ATOM 2231 C CB . TYR B 2 10 ? 21.374 9.420 1.008 1.00 39.10 ? 10 TYR B CB 1 ATOM 2232 C CG . TYR B 2 10 ? 20.728 8.744 2.186 1.00 37.79 ? 10 TYR B CG 1 ATOM 2233 C CD1 . TYR B 2 10 ? 19.526 8.050 2.048 1.00 38.79 ? 10 TYR B CD1 1 ATOM 2234 C CD2 . TYR B 2 10 ? 21.314 8.799 3.429 1.00 37.61 ? 10 TYR B CD2 1 ATOM 2235 C CE1 . TYR B 2 10 ? 18.942 7.393 3.109 1.00 40.29 ? 10 TYR B CE1 1 ATOM 2236 C CE2 . TYR B 2 10 ? 20.731 8.178 4.516 1.00 41.38 ? 10 TYR B CE2 1 ATOM 2237 C CZ . TYR B 2 10 ? 19.549 7.464 4.359 1.00 41.26 ? 10 TYR B CZ 1 ATOM 2238 O OH . TYR B 2 10 ? 18.988 6.855 5.462 1.00 39.03 ? 10 TYR B OH 1 ATOM 2239 N N . SER B 2 11 ? 24.467 8.796 0.620 1.00 39.92 ? 11 SER B N 1 ATOM 2240 C CA . SER B 2 11 ? 25.759 8.476 1.201 1.00 39.56 ? 11 SER B CA 1 ATOM 2241 C C . SER B 2 11 ? 25.900 9.101 2.569 1.00 39.56 ? 11 SER B C 1 ATOM 2242 O O . SER B 2 11 ? 25.316 10.147 2.826 1.00 39.74 ? 11 SER B O 1 ATOM 2243 C CB . SER B 2 11 ? 26.878 8.916 0.284 1.00 39.12 ? 11 SER B CB 1 ATOM 2244 O OG . SER B 2 11 ? 27.078 10.309 0.357 1.00 42.37 ? 11 SER B OG 1 ATOM 2245 N N . ARG B 2 12 ? 26.678 8.449 3.439 1.00 39.77 ? 12 ARG B N 1 ATOM 2246 C CA . ARG B 2 12 ? 26.905 8.894 4.814 1.00 39.56 ? 12 ARG B CA 1 ATOM 2247 C C . ARG B 2 12 ? 27.751 10.160 4.859 1.00 40.00 ? 12 ARG B C 1 ATOM 2248 O O . ARG B 2 12 ? 27.419 11.073 5.597 1.00 40.58 ? 12 ARG B O 1 ATOM 2249 C CB . ARG B 2 12 ? 27.594 7.783 5.596 1.00 39.80 ? 12 ARG B CB 1 ATOM 2250 C CG . ARG B 2 12 ? 28.084 8.173 6.957 1.00 40.44 ? 12 ARG B CG 1 ATOM 2251 C CD . ARG B 2 12 ? 26.910 8.469 7.853 1.00 41.88 ? 12 ARG B CD 1 ATOM 2252 N NE . ARG B 2 12 ? 27.323 8.856 9.190 1.00 41.75 ? 12 ARG B NE 1 ATOM 2253 C CZ . ARG B 2 12 ? 27.943 9.997 9.480 1.00 41.72 ? 12 ARG B CZ 1 ATOM 2254 N NH1 . ARG B 2 12 ? 28.235 10.847 8.505 1.00 39.69 ? 12 ARG B NH1 1 ATOM 2255 N NH2 . ARG B 2 12 ? 28.280 10.283 10.747 1.00 40.53 ? 12 ARG B NH2 1 ATOM 2256 N N . HIS B 2 13 ? 28.838 10.196 4.083 1.00 40.10 ? 13 HIS B N 1 ATOM 2257 C CA . HIS B 2 13 ? 29.719 11.371 3.950 1.00 41.04 ? 13 HIS B CA 1 ATOM 2258 C C . HIS B 2 13 ? 29.701 11.918 2.510 1.00 41.56 ? 13 HIS B C 1 ATOM 2259 O O . HIS B 2 13 ? 29.287 11.199 1.594 1.00 40.80 ? 13 HIS B O 1 ATOM 2260 C CB . HIS B 2 13 ? 31.169 11.003 4.275 1.00 41.14 ? 13 HIS B CB 1 ATOM 2261 C CG . HIS B 2 13 ? 31.330 10.264 5.560 1.00 40.85 ? 13 HIS B CG 1 ATOM 2262 N ND1 . HIS B 2 13 ? 31.414 10.907 6.779 1.00 38.28 ? 13 HIS B ND1 1 ATOM 2263 C CD2 . HIS B 2 13 ? 31.405 8.939 5.817 1.00 39.19 ? 13 HIS B CD2 1 ATOM 2264 C CE1 . HIS B 2 13 ? 31.542 10.004 7.733 1.00 41.29 ? 13 HIS B CE1 1 ATOM 2265 N NE2 . HIS B 2 13 ? 31.535 8.803 7.178 1.00 42.58 ? 13 HIS B NE2 1 ATOM 2266 N N . PRO B 2 14 ? 30.157 13.184 2.316 1.00 41.89 ? 14 PRO B N 1 ATOM 2267 C CA . PRO B 2 14 ? 30.299 13.764 0.975 1.00 42.35 ? 14 PRO B CA 1 ATOM 2268 C C . PRO B 2 14 ? 31.037 12.789 0.066 1.00 43.34 ? 14 PRO B C 1 ATOM 2269 O O . PRO B 2 14 ? 32.167 12.424 0.378 1.00 42.87 ? 14 PRO B O 1 ATOM 2270 C CB . PRO B 2 14 ? 31.172 15.002 1.213 1.00 42.01 ? 14 PRO B CB 1 ATOM 2271 C CG . PRO B 2 14 ? 30.877 15.407 2.628 1.00 41.50 ? 14 PRO B CG 1 ATOM 2272 C CD . PRO B 2 14 ? 30.553 14.135 3.377 1.00 41.72 ? 14 PRO B CD 1 ATOM 2273 N N . PRO B 2 15 ? 30.391 12.334 -1.031 1.00 44.49 ? 15 PRO B N 1 ATOM 2274 C CA . PRO B 2 15 ? 31.089 11.476 -1.989 1.00 45.32 ? 15 PRO B CA 1 ATOM 2275 C C . PRO B 2 15 ? 32.297 12.158 -2.586 1.00 46.39 ? 15 PRO B C 1 ATOM 2276 O O . PRO B 2 15 ? 32.285 13.373 -2.817 1.00 46.28 ? 15 PRO B O 1 ATOM 2277 C CB . PRO B 2 15 ? 30.052 11.246 -3.091 1.00 45.48 ? 15 PRO B CB 1 ATOM 2278 C CG . PRO B 2 15 ? 29.023 12.313 -2.892 1.00 45.79 ? 15 PRO B CG 1 ATOM 2279 C CD . PRO B 2 15 ? 28.985 12.540 -1.422 1.00 44.61 ? 15 PRO B CD 1 ATOM 2280 N N . GLU B 2 16 ? 33.349 11.380 -2.800 1.00 47.03 ? 16 GLU B N 1 ATOM 2281 C CA . GLU B 2 16 ? 34.464 11.851 -3.576 1.00 48.32 ? 16 GLU B CA 1 ATOM 2282 C C . GLU B 2 16 ? 35.163 10.636 -4.103 1.00 47.65 ? 16 GLU B C 1 ATOM 2283 O O . GLU B 2 16 ? 35.370 9.682 -3.369 1.00 48.35 ? 16 GLU B O 1 ATOM 2284 C CB . GLU B 2 16 ? 35.370 12.805 -2.786 1.00 48.33 ? 16 GLU B CB 1 ATOM 2285 C CG . GLU B 2 16 ? 36.242 12.229 -1.688 1.00 50.10 ? 16 GLU B CG 1 ATOM 2286 C CD . GLU B 2 16 ? 37.132 13.312 -1.032 1.00 51.11 ? 16 GLU B CD 1 ATOM 2287 O OE1 . GLU B 2 16 ? 36.576 14.094 -0.210 1.00 52.80 ? 16 GLU B OE1 1 ATOM 2288 O OE2 . GLU B 2 16 ? 38.363 13.384 -1.355 1.00 53.11 ? 16 GLU B OE2 1 ATOM 2289 N N . ASN B 2 17 ? 35.482 10.656 -5.391 1.00 47.07 ? 17 ASN B N 1 ATOM 2290 C CA . ASN B 2 17 ? 35.903 9.445 -6.072 1.00 46.51 ? 17 ASN B CA 1 ATOM 2291 C C . ASN B 2 17 ? 37.200 8.891 -5.523 1.00 45.99 ? 17 ASN B C 1 ATOM 2292 O O . ASN B 2 17 ? 38.174 9.599 -5.426 1.00 46.53 ? 17 ASN B O 1 ATOM 2293 C CB . ASN B 2 17 ? 36.008 9.685 -7.578 1.00 46.52 ? 17 ASN B CB 1 ATOM 2294 C CG . ASN B 2 17 ? 34.679 10.078 -8.209 1.00 46.57 ? 17 ASN B CG 1 ATOM 2295 O OD1 . ASN B 2 17 ? 33.603 9.600 -7.828 1.00 45.35 ? 17 ASN B OD1 1 ATOM 2296 N ND2 . ASN B 2 17 ? 34.756 10.944 -9.202 1.00 49.23 ? 17 ASN B ND2 1 ATOM 2297 N N . GLY B 2 18 ? 37.209 7.617 -5.170 1.00 45.63 ? 18 GLY B N 1 ATOM 2298 C CA . GLY B 2 18 ? 38.405 6.992 -4.623 1.00 45.05 ? 18 GLY B CA 1 ATOM 2299 C C . GLY B 2 18 ? 38.386 6.897 -3.112 1.00 45.17 ? 18 GLY B C 1 ATOM 2300 O O . GLY B 2 18 ? 39.152 6.109 -2.544 1.00 44.98 ? 18 GLY B O 1 ATOM 2301 N N . LYS B 2 19 ? 37.526 7.686 -2.459 1.00 44.69 ? 19 LYS B N 1 ATOM 2302 C CA . LYS B 2 19 ? 37.434 7.644 -0.996 1.00 45.34 ? 19 LYS B CA 1 ATOM 2303 C C . LYS B 2 19 ? 36.265 6.808 -0.460 1.00 44.38 ? 19 LYS B C 1 ATOM 2304 O O . LYS B 2 19 ? 35.115 7.076 -0.763 1.00 43.73 ? 19 LYS B O 1 ATOM 2305 C CB . LYS B 2 19 ? 37.451 9.056 -0.363 1.00 46.46 ? 19 LYS B CB 1 ATOM 2306 C CG . LYS B 2 19 ? 38.688 9.928 -0.756 1.00 48.79 ? 19 LYS B CG 1 ATOM 2307 C CD . LYS B 2 19 ? 39.780 9.943 0.333 1.00 53.78 ? 19 LYS B CD 1 ATOM 2308 C CE . LYS B 2 19 ? 40.838 11.049 0.077 1.00 54.46 ? 19 LYS B CE 1 ATOM 2309 N NZ . LYS B 2 19 ? 41.304 11.707 1.371 1.00 56.42 ? 19 LYS B NZ 1 ATOM 2310 N N . PRO B 2 20 ? 36.593 5.763 0.333 1.00 44.27 ? 20 PRO B N 1 ATOM 2311 C CA . PRO B 2 20 ? 35.731 4.935 1.179 1.00 43.51 ? 20 PRO B CA 1 ATOM 2312 C C . PRO B 2 20 ? 34.599 5.728 1.808 1.00 43.12 ? 20 PRO B C 1 ATOM 2313 O O . PRO B 2 20 ? 34.810 6.831 2.332 1.00 43.13 ? 20 PRO B O 1 ATOM 2314 C CB . PRO B 2 20 ? 36.678 4.490 2.295 1.00 43.08 ? 20 PRO B CB 1 ATOM 2315 C CG . PRO B 2 20 ? 37.995 4.372 1.631 1.00 43.66 ? 20 PRO B CG 1 ATOM 2316 C CD . PRO B 2 20 ? 37.999 5.306 0.425 1.00 44.03 ? 20 PRO B CD 1 ATOM 2317 N N . ASN B 2 21 ? 33.410 5.136 1.775 1.00 42.22 ? 21 ASN B N 1 ATOM 2318 C CA . ASN B 2 21 ? 32.197 5.782 2.221 1.00 40.87 ? 21 ASN B CA 1 ATOM 2319 C C . ASN B 2 21 ? 31.244 4.685 2.650 1.00 40.41 ? 21 ASN B C 1 ATOM 2320 O O . ASN B 2 21 ? 31.560 3.495 2.540 1.00 40.48 ? 21 ASN B O 1 ATOM 2321 C CB . ASN B 2 21 ? 31.601 6.553 1.044 1.00 40.64 ? 21 ASN B CB 1 ATOM 2322 C CG . ASN B 2 21 ? 30.905 7.819 1.459 1.00 39.25 ? 21 ASN B CG 1 ATOM 2323 O OD1 . ASN B 2 21 ? 30.131 7.849 2.404 1.00 37.21 ? 21 ASN B OD1 1 ATOM 2324 N ND2 . ASN B 2 21 ? 31.179 8.881 0.738 1.00 39.74 ? 21 ASN B ND2 1 ATOM 2325 N N . ILE B 2 22 ? 30.084 5.086 3.147 1.00 39.47 ? 22 ILE B N 1 ATOM 2326 C CA . ILE B 2 22 ? 29.011 4.174 3.436 1.00 38.35 ? 22 ILE B CA 1 ATOM 2327 C C . ILE B 2 22 ? 27.788 4.666 2.711 1.00 38.16 ? 22 ILE B C 1 ATOM 2328 O O . ILE B 2 22 ? 27.431 5.850 2.803 1.00 36.36 ? 22 ILE B O 1 ATOM 2329 C CB . ILE B 2 22 ? 28.758 4.093 4.963 1.00 39.12 ? 22 ILE B CB 1 ATOM 2330 C CG1 . ILE B 2 22 ? 29.881 3.257 5.611 1.00 39.71 ? 22 ILE B CG1 1 ATOM 2331 C CG2 . ILE B 2 22 ? 27.377 3.496 5.264 1.00 37.06 ? 22 ILE B CG2 1 ATOM 2332 C CD1 . ILE B 2 22 ? 30.265 3.694 6.976 1.00 38.81 ? 22 ILE B CD1 1 ATOM 2333 N N . LEU B 2 23 ? 27.154 3.743 1.984 1.00 38.92 ? 23 LEU B N 1 ATOM 2334 C CA . LEU B 2 23 ? 25.936 4.028 1.210 1.00 39.89 ? 23 LEU B CA 1 ATOM 2335 C C . LEU B 2 23 ? 24.714 3.524 1.970 1.00 40.21 ? 23 LEU B C 1 ATOM 2336 O O . LEU B 2 23 ? 24.696 2.381 2.392 1.00 41.02 ? 23 LEU B O 1 ATOM 2337 C CB . LEU B 2 23 ? 25.999 3.350 -0.172 1.00 39.52 ? 23 LEU B CB 1 ATOM 2338 C CG . LEU B 2 23 ? 24.813 3.641 -1.113 1.00 40.62 ? 23 LEU B CG 1 ATOM 2339 C CD1 . LEU B 2 23 ? 24.714 5.160 -1.341 1.00 40.08 ? 23 LEU B CD1 1 ATOM 2340 C CD2 . LEU B 2 23 ? 24.903 2.903 -2.447 1.00 39.92 ? 23 LEU B CD2 1 ATOM 2341 N N . ASN B 2 24 ? 23.700 4.366 2.140 1.00 40.72 ? 24 ASN B N 1 ATOM 2342 C CA . ASN B 2 24 ? 22.472 3.956 2.808 1.00 41.06 ? 24 ASN B CA 1 ATOM 2343 C C . ASN B 2 24 ? 21.326 3.752 1.820 1.00 42.08 ? 24 ASN B C 1 ATOM 2344 O O . ASN B 2 24 ? 21.202 4.465 0.813 1.00 42.74 ? 24 ASN B O 1 ATOM 2345 C CB . ASN B 2 24 ? 22.062 4.978 3.865 1.00 40.98 ? 24 ASN B CB 1 ATOM 2346 C CG . ASN B 2 24 ? 23.162 5.258 4.888 1.00 41.53 ? 24 ASN B CG 1 ATOM 2347 O OD1 . ASN B 2 24 ? 23.740 4.349 5.469 1.00 43.43 ? 24 ASN B OD1 1 ATOM 2348 N ND2 . ASN B 2 24 ? 23.441 6.530 5.120 1.00 42.94 ? 24 ASN B ND2 1 ATOM 2349 N N . CYS B 2 25 ? 20.506 2.749 2.105 1.00 42.81 ? 25 CYS B N 1 ATOM 2350 C CA . CYS B 2 25 ? 19.252 2.523 1.422 1.00 42.72 ? 25 CYS B CA 1 ATOM 2351 C C . CYS B 2 25 ? 18.211 2.430 2.525 1.00 43.23 ? 25 CYS B C 1 ATOM 2352 O O . CYS B 2 25 ? 18.323 1.603 3.440 1.00 44.27 ? 25 CYS B O 1 ATOM 2353 C CB . CYS B 2 25 ? 19.284 1.220 0.649 1.00 42.82 ? 25 CYS B CB 1 ATOM 2354 S SG . CYS B 2 25 ? 17.718 0.906 -0.156 1.00 43.81 ? 25 CYS B SG 1 ATOM 2355 N N . TYR B 2 26 ? 17.212 3.292 2.462 1.00 43.16 ? 26 TYR B N 1 ATOM 2356 C CA . TYR B 2 26 ? 16.266 3.436 3.547 1.00 42.69 ? 26 TYR B CA 1 ATOM 2357 C C . TYR B 2 26 ? 14.889 3.257 2.961 1.00 43.27 ? 26 TYR B C 1 ATOM 2358 O O . TYR B 2 26 ? 14.430 4.059 2.108 1.00 43.07 ? 26 TYR B O 1 ATOM 2359 C CB . TYR B 2 26 ? 16.399 4.806 4.172 1.00 42.58 ? 26 TYR B CB 1 ATOM 2360 C CG . TYR B 2 26 ? 15.448 5.081 5.297 1.00 41.99 ? 26 TYR B CG 1 ATOM 2361 C CD1 . TYR B 2 26 ? 15.307 4.192 6.379 1.00 40.87 ? 26 TYR B CD1 1 ATOM 2362 C CD2 . TYR B 2 26 ? 14.717 6.255 5.313 1.00 42.27 ? 26 TYR B CD2 1 ATOM 2363 C CE1 . TYR B 2 26 ? 14.419 4.471 7.427 1.00 39.99 ? 26 TYR B CE1 1 ATOM 2364 C CE2 . TYR B 2 26 ? 13.826 6.537 6.354 1.00 40.85 ? 26 TYR B CE2 1 ATOM 2365 C CZ . TYR B 2 26 ? 13.690 5.656 7.392 1.00 40.98 ? 26 TYR B CZ 1 ATOM 2366 O OH . TYR B 2 26 ? 12.810 5.994 8.386 1.00 42.01 ? 26 TYR B OH 1 ATOM 2367 N N . VAL B 2 27 ? 14.251 2.177 3.417 1.00 42.89 ? 27 VAL B N 1 ATOM 2368 C CA . VAL B 2 27 ? 13.035 1.668 2.827 1.00 41.93 ? 27 VAL B CA 1 ATOM 2369 C C . VAL B 2 27 ? 11.912 1.914 3.825 1.00 41.96 ? 27 VAL B C 1 ATOM 2370 O O . VAL B 2 27 ? 11.905 1.375 4.931 1.00 42.17 ? 27 VAL B O 1 ATOM 2371 C CB . VAL B 2 27 ? 13.194 0.162 2.460 1.00 41.60 ? 27 VAL B CB 1 ATOM 2372 C CG1 . VAL B 2 27 ? 12.015 -0.341 1.662 1.00 40.33 ? 27 VAL B CG1 1 ATOM 2373 C CG2 . VAL B 2 27 ? 14.477 -0.063 1.689 1.00 40.69 ? 27 VAL B CG2 1 ATOM 2374 N N . THR B 2 28 ? 10.973 2.755 3.438 1.00 41.87 ? 28 THR B N 1 ATOM 2375 C CA . THR B 2 28 ? 9.937 3.149 4.354 1.00 42.20 ? 28 THR B CA 1 ATOM 2376 C C . THR B 2 28 ? 8.589 2.823 3.786 1.00 43.07 ? 28 THR B C 1 ATOM 2377 O O . THR B 2 28 ? 8.474 2.487 2.609 1.00 43.20 ? 28 THR B O 1 ATOM 2378 C CB . THR B 2 28 ? 9.942 4.641 4.554 1.00 42.29 ? 28 THR B CB 1 ATOM 2379 O OG1 . THR B 2 28 ? 9.985 5.272 3.273 1.00 41.77 ? 28 THR B OG1 1 ATOM 2380 C CG2 . THR B 2 28 ? 11.141 5.084 5.373 1.00 42.20 ? 28 THR B CG2 1 ATOM 2381 N N . GLN B 2 29 ? 7.576 2.918 4.648 1.00 43.84 ? 29 GLN B N 1 ATOM 2382 C CA . GLN B 2 29 ? 6.176 3.019 4.252 1.00 44.35 ? 29 GLN B CA 1 ATOM 2383 C C . GLN B 2 29 ? 5.530 1.750 3.755 1.00 43.85 ? 29 GLN B C 1 ATOM 2384 O O . GLN B 2 29 ? 4.386 1.789 3.284 1.00 43.29 ? 29 GLN B O 1 ATOM 2385 C CB . GLN B 2 29 ? 5.995 4.091 3.186 1.00 44.91 ? 29 GLN B CB 1 ATOM 2386 C CG . GLN B 2 29 ? 4.742 4.885 3.413 1.00 49.02 ? 29 GLN B CG 1 ATOM 2387 C CD . GLN B 2 29 ? 4.867 5.702 4.665 1.00 51.16 ? 29 GLN B CD 1 ATOM 2388 O OE1 . GLN B 2 29 ? 5.907 6.314 4.886 1.00 51.80 ? 29 GLN B OE1 1 ATOM 2389 N NE2 . GLN B 2 29 ? 3.824 5.706 5.504 1.00 51.90 ? 29 GLN B NE2 1 ATOM 2390 N N . PHE B 2 30 ? 6.247 0.630 3.844 1.00 43.03 ? 30 PHE B N 1 ATOM 2391 C CA . PHE B 2 30 ? 5.684 -0.629 3.385 1.00 41.72 ? 30 PHE B CA 1 ATOM 2392 C C . PHE B 2 30 ? 4.851 -1.378 4.442 1.00 41.66 ? 30 PHE B C 1 ATOM 2393 O O . PHE B 2 30 ? 4.893 -1.072 5.637 1.00 41.19 ? 30 PHE B O 1 ATOM 2394 C CB . PHE B 2 30 ? 6.779 -1.506 2.814 1.00 40.93 ? 30 PHE B CB 1 ATOM 2395 C CG . PHE B 2 30 ? 7.830 -1.889 3.794 1.00 40.50 ? 30 PHE B CG 1 ATOM 2396 C CD1 . PHE B 2 30 ? 8.877 -1.031 4.083 1.00 38.83 ? 30 PHE B CD1 1 ATOM 2397 C CD2 . PHE B 2 30 ? 7.797 -3.134 4.407 1.00 40.22 ? 30 PHE B CD2 1 ATOM 2398 C CE1 . PHE B 2 30 ? 9.860 -1.400 4.963 1.00 37.95 ? 30 PHE B CE1 1 ATOM 2399 C CE2 . PHE B 2 30 ? 8.793 -3.503 5.299 1.00 39.80 ? 30 PHE B CE2 1 ATOM 2400 C CZ . PHE B 2 30 ? 9.814 -2.635 5.576 1.00 38.60 ? 30 PHE B CZ 1 ATOM 2401 N N . HIS B 2 31 ? 4.091 -2.363 3.962 1.00 41.69 ? 31 HIS B N 1 ATOM 2402 C CA . HIS B 2 31 ? 3.283 -3.288 4.770 1.00 40.90 ? 31 HIS B CA 1 ATOM 2403 C C . HIS B 2 31 ? 2.743 -4.347 3.805 1.00 40.88 ? 31 HIS B C 1 ATOM 2404 O O . HIS B 2 31 ? 2.239 -4.003 2.746 1.00 40.42 ? 31 HIS B O 1 ATOM 2405 C CB . HIS B 2 31 ? 2.130 -2.561 5.446 1.00 40.60 ? 31 HIS B CB 1 ATOM 2406 C CG . HIS B 2 31 ? 1.396 -3.386 6.455 1.00 41.61 ? 31 HIS B CG 1 ATOM 2407 N ND1 . HIS B 2 31 ? 1.507 -3.168 7.815 1.00 44.14 ? 31 HIS B ND1 1 ATOM 2408 C CD2 . HIS B 2 31 ? 0.534 -4.422 6.304 1.00 42.32 ? 31 HIS B CD2 1 ATOM 2409 C CE1 . HIS B 2 31 ? 0.759 -4.050 8.457 1.00 44.89 ? 31 HIS B CE1 1 ATOM 2410 N NE2 . HIS B 2 31 ? 0.162 -4.824 7.562 1.00 44.87 ? 31 HIS B NE2 1 ATOM 2411 N N . PRO B 2 32 ? 2.805 -5.630 4.172 1.00 41.27 ? 32 PRO B N 1 ATOM 2412 C CA . PRO B 2 32 ? 3.233 -6.186 5.449 1.00 41.76 ? 32 PRO B CA 1 ATOM 2413 C C . PRO B 2 32 ? 4.753 -6.129 5.597 1.00 41.73 ? 32 PRO B C 1 ATOM 2414 O O . PRO B 2 32 ? 5.433 -5.754 4.656 1.00 41.73 ? 32 PRO B O 1 ATOM 2415 C CB . PRO B 2 32 ? 2.684 -7.634 5.390 1.00 41.57 ? 32 PRO B CB 1 ATOM 2416 C CG . PRO B 2 32 ? 2.722 -7.967 3.954 1.00 41.24 ? 32 PRO B CG 1 ATOM 2417 C CD . PRO B 2 32 ? 2.397 -6.690 3.234 1.00 41.62 ? 32 PRO B CD 1 ATOM 2418 N N . PRO B 2 33 ? 5.278 -6.488 6.782 1.00 42.25 ? 33 PRO B N 1 ATOM 2419 C CA . PRO B 2 33 ? 6.684 -6.260 7.049 1.00 42.77 ? 33 PRO B CA 1 ATOM 2420 C C . PRO B 2 33 ? 7.666 -7.120 6.249 1.00 43.48 ? 33 PRO B C 1 ATOM 2421 O O . PRO B 2 33 ? 8.822 -6.751 6.139 1.00 45.11 ? 33 PRO B O 1 ATOM 2422 C CB . PRO B 2 33 ? 6.813 -6.575 8.547 1.00 43.16 ? 33 PRO B CB 1 ATOM 2423 C CG . PRO B 2 33 ? 5.444 -6.737 9.060 1.00 41.13 ? 33 PRO B CG 1 ATOM 2424 C CD . PRO B 2 33 ? 4.595 -7.096 7.939 1.00 41.60 ? 33 PRO B CD 1 ATOM 2425 N N . HIS B 2 34 ? 7.230 -8.234 5.696 1.00 43.40 ? 34 HIS B N 1 ATOM 2426 C CA . HIS B 2 34 ? 8.114 -9.135 4.948 1.00 43.53 ? 34 HIS B CA 1 ATOM 2427 C C . HIS B 2 34 ? 8.589 -8.461 3.677 1.00 42.95 ? 34 HIS B C 1 ATOM 2428 O O . HIS B 2 34 ? 7.814 -7.800 3.018 1.00 43.51 ? 34 HIS B O 1 ATOM 2429 C CB . HIS B 2 34 ? 7.394 -10.466 4.729 1.00 42.91 ? 34 HIS B CB 1 ATOM 2430 C CG . HIS B 2 34 ? 6.642 -10.893 5.956 1.00 46.44 ? 34 HIS B CG 1 ATOM 2431 N ND1 . HIS B 2 34 ? 7.254 -11.543 7.015 1.00 48.20 ? 34 HIS B ND1 1 ATOM 2432 C CD2 . HIS B 2 34 ? 5.368 -10.639 6.359 1.00 45.84 ? 34 HIS B CD2 1 ATOM 2433 C CE1 . HIS B 2 34 ? 6.371 -11.732 7.983 1.00 46.36 ? 34 HIS B CE1 1 ATOM 2434 N NE2 . HIS B 2 34 ? 5.223 -11.185 7.613 1.00 45.91 ? 34 HIS B NE2 1 ATOM 2435 N N . ILE B 2 35 ? 9.878 -8.589 3.369 1.00 42.69 ? 35 ILE B N 1 ATOM 2436 C CA . ILE B 2 35 ? 10.521 -7.778 2.323 1.00 42.10 ? 35 ILE B CA 1 ATOM 2437 C C . ILE B 2 35 ? 11.942 -8.282 2.050 1.00 42.66 ? 35 ILE B C 1 ATOM 2438 O O . ILE B 2 35 ? 12.611 -8.773 2.949 1.00 41.96 ? 35 ILE B O 1 ATOM 2439 C CB . ILE B 2 35 ? 10.557 -6.280 2.725 1.00 41.53 ? 35 ILE B CB 1 ATOM 2440 C CG1 . ILE B 2 35 ? 10.882 -5.409 1.532 1.00 40.75 ? 35 ILE B CG1 1 ATOM 2441 C CG2 . ILE B 2 35 ? 11.555 -6.014 3.909 1.00 40.65 ? 35 ILE B CG2 1 ATOM 2442 C CD1 . ILE B 2 35 ? 10.634 -3.959 1.791 1.00 38.90 ? 35 ILE B CD1 1 ATOM 2443 N N . GLU B 2 36 ? 12.379 -8.190 0.796 1.00 43.74 ? 36 GLU B N 1 ATOM 2444 C CA . GLU B 2 36 ? 13.760 -8.452 0.460 1.00 45.51 ? 36 GLU B CA 1 ATOM 2445 C C . GLU B 2 36 ? 14.425 -7.189 -0.104 1.00 45.34 ? 36 GLU B C 1 ATOM 2446 O O . GLU B 2 36 ? 13.948 -6.617 -1.087 1.00 45.90 ? 36 GLU B O 1 ATOM 2447 C CB . GLU B 2 36 ? 13.881 -9.620 -0.495 1.00 44.90 ? 36 GLU B CB 1 ATOM 2448 C CG . GLU B 2 36 ? 15.340 -10.077 -0.696 1.00 48.36 ? 36 GLU B CG 1 ATOM 2449 C CD . GLU B 2 36 ? 15.554 -11.027 -1.899 1.00 49.59 ? 36 GLU B CD 1 ATOM 2450 O OE1 . GLU B 2 36 ? 14.568 -11.554 -2.480 1.00 54.89 ? 36 GLU B OE1 1 ATOM 2451 O OE2 . GLU B 2 36 ? 16.732 -11.249 -2.268 1.00 55.47 ? 36 GLU B OE2 1 ATOM 2452 N N . ILE B 2 37 ? 15.498 -6.738 0.561 1.00 45.38 ? 37 ILE B N 1 ATOM 2453 C CA . ILE B 2 37 ? 16.324 -5.598 0.127 1.00 44.43 ? 37 ILE B CA 1 ATOM 2454 C C . ILE B 2 37 ? 17.696 -6.073 -0.417 1.00 44.90 ? 37 ILE B C 1 ATOM 2455 O O . ILE B 2 37 ? 18.426 -6.766 0.268 1.00 44.53 ? 37 ILE B O 1 ATOM 2456 C CB . ILE B 2 37 ? 16.528 -4.602 1.295 1.00 44.42 ? 37 ILE B CB 1 ATOM 2457 C CG1 . ILE B 2 37 ? 15.166 -4.139 1.838 1.00 44.72 ? 37 ILE B CG1 1 ATOM 2458 C CG2 . ILE B 2 37 ? 17.400 -3.449 0.884 1.00 42.38 ? 37 ILE B CG2 1 ATOM 2459 C CD1 . ILE B 2 37 ? 15.223 -3.274 3.079 1.00 43.63 ? 37 ILE B CD1 1 ATOM 2460 N N . GLN B 2 38 ? 18.012 -5.728 -1.664 1.00 45.25 ? 38 GLN B N 1 ATOM 2461 C CA . GLN B 2 38 ? 19.332 -5.954 -2.241 1.00 46.28 ? 38 GLN B CA 1 ATOM 2462 C C . GLN B 2 38 ? 19.976 -4.583 -2.518 1.00 45.85 ? 38 GLN B C 1 ATOM 2463 O O . GLN B 2 38 ? 19.328 -3.689 -3.089 1.00 46.07 ? 38 GLN B O 1 ATOM 2464 C CB . GLN B 2 38 ? 19.243 -6.744 -3.563 1.00 45.73 ? 38 GLN B CB 1 ATOM 2465 C CG . GLN B 2 38 ? 18.944 -8.245 -3.462 1.00 48.61 ? 38 GLN B CG 1 ATOM 2466 C CD . GLN B 2 38 ? 18.510 -8.900 -4.812 1.00 49.32 ? 38 GLN B CD 1 ATOM 2467 O OE1 . GLN B 2 38 ? 17.468 -8.560 -5.405 1.00 51.91 ? 38 GLN B OE1 1 ATOM 2468 N NE2 . GLN B 2 38 ? 19.318 -9.857 -5.281 1.00 53.62 ? 38 GLN B NE2 1 ATOM 2469 N N . MET B 2 39 ? 21.234 -4.404 -2.111 1.00 45.25 ? 39 MET B N 1 ATOM 2470 C CA . MET B 2 39 ? 22.026 -3.282 -2.618 1.00 45.12 ? 39 MET B CA 1 ATOM 2471 C C . MET B 2 39 ? 22.895 -3.802 -3.768 1.00 44.65 ? 39 MET B C 1 ATOM 2472 O O . MET B 2 39 ? 23.507 -4.851 -3.647 1.00 44.99 ? 39 MET B O 1 ATOM 2473 C CB . MET B 2 39 ? 22.869 -2.624 -1.517 1.00 44.62 ? 39 MET B CB 1 ATOM 2474 C CG . MET B 2 39 ? 22.047 -2.171 -0.331 1.00 44.95 ? 39 MET B CG 1 ATOM 2475 S SD . MET B 2 39 ? 22.873 -0.947 0.684 1.00 46.69 ? 39 MET B SD 1 ATOM 2476 C CE . MET B 2 39 ? 23.025 0.390 -0.499 1.00 50.17 ? 39 MET B CE 1 ATOM 2477 N N . LEU B 2 40 ? 22.939 -3.073 -4.883 1.00 43.92 ? 40 LEU B N 1 ATOM 2478 C CA . LEU B 2 40 ? 23.592 -3.565 -6.083 1.00 42.56 ? 40 LEU B CA 1 ATOM 2479 C C . LEU B 2 40 ? 24.729 -2.656 -6.518 1.00 42.84 ? 40 LEU B C 1 ATOM 2480 O O . LEU B 2 40 ? 24.625 -1.418 -6.439 1.00 42.28 ? 40 LEU B O 1 ATOM 2481 C CB . LEU B 2 40 ? 22.592 -3.626 -7.228 1.00 42.46 ? 40 LEU B CB 1 ATOM 2482 C CG . LEU B 2 40 ? 21.286 -4.400 -7.170 1.00 41.54 ? 40 LEU B CG 1 ATOM 2483 C CD1 . LEU B 2 40 ? 20.484 -4.059 -8.432 1.00 40.00 ? 40 LEU B CD1 1 ATOM 2484 C CD2 . LEU B 2 40 ? 21.586 -5.879 -7.104 1.00 40.92 ? 40 LEU B CD2 1 ATOM 2485 N N . LYS B 2 41 ? 25.803 -3.287 -6.997 1.00 42.79 ? 41 LYS B N 1 ATOM 2486 C CA . LYS B 2 41 ? 26.890 -2.608 -7.675 1.00 42.95 ? 41 LYS B CA 1 ATOM 2487 C C . LYS B 2 41 ? 26.858 -3.026 -9.136 1.00 43.27 ? 41 LYS B C 1 ATOM 2488 O O . LYS B 2 41 ? 26.863 -4.218 -9.442 1.00 43.22 ? 41 LYS B O 1 ATOM 2489 C CB . LYS B 2 41 ? 28.235 -2.963 -7.042 1.00 42.93 ? 41 LYS B CB 1 ATOM 2490 C CG . LYS B 2 41 ? 29.407 -2.138 -7.589 1.00 43.45 ? 41 LYS B CG 1 ATOM 2491 C CD . LYS B 2 41 ? 30.682 -2.509 -6.907 1.00 44.91 ? 41 LYS B CD 1 ATOM 2492 C CE . LYS B 2 41 ? 31.849 -1.711 -7.410 1.00 47.61 ? 41 LYS B CE 1 ATOM 2493 N NZ . LYS B 2 41 ? 32.936 -1.756 -6.365 1.00 51.21 ? 41 LYS B NZ 1 ATOM 2494 N N . ASN B 2 42 ? 26.786 -2.051 -10.042 1.00 43.56 ? 42 ASN B N 1 ATOM 2495 C CA . ASN B 2 42 ? 26.699 -2.350 -11.486 1.00 43.32 ? 42 ASN B CA 1 ATOM 2496 C C . ASN B 2 42 ? 25.793 -3.551 -11.793 1.00 43.63 ? 42 ASN B C 1 ATOM 2497 O O . ASN B 2 42 ? 26.085 -4.354 -12.683 1.00 44.26 ? 42 ASN B O 1 ATOM 2498 C CB . ASN B 2 42 ? 28.101 -2.544 -12.076 1.00 42.65 ? 42 ASN B CB 1 ATOM 2499 C CG . ASN B 2 42 ? 29.068 -1.442 -11.660 1.00 42.00 ? 42 ASN B CG 1 ATOM 2500 O OD1 . ASN B 2 42 ? 28.691 -0.276 -11.584 1.00 40.34 ? 42 ASN B OD1 1 ATOM 2501 N ND2 . ASN B 2 42 ? 30.320 -1.815 -11.375 1.00 40.55 ? 42 ASN B ND2 1 ATOM 2502 N N . GLY B 2 43 ? 24.697 -3.672 -11.043 1.00 44.25 ? 43 GLY B N 1 ATOM 2503 C CA . GLY B 2 43 ? 23.720 -4.776 -11.200 1.00 45.07 ? 43 GLY B CA 1 ATOM 2504 C C . GLY B 2 43 ? 24.036 -6.115 -10.505 1.00 45.67 ? 43 GLY B C 1 ATOM 2505 O O . GLY B 2 43 ? 23.209 -7.050 -10.534 1.00 45.42 ? 43 GLY B O 1 ATOM 2506 N N . LYS B 2 44 ? 25.239 -6.222 -9.921 1.00 45.74 ? 44 LYS B N 1 ATOM 2507 C CA . LYS B 2 44 ? 25.632 -7.382 -9.138 1.00 45.89 ? 44 LYS B CA 1 ATOM 2508 C C . LYS B 2 44 ? 25.251 -7.062 -7.698 1.00 46.22 ? 44 LYS B C 1 ATOM 2509 O O . LYS B 2 44 ? 25.454 -5.954 -7.244 1.00 46.15 ? 44 LYS B O 1 ATOM 2510 C CB . LYS B 2 44 ? 27.128 -7.650 -9.287 1.00 45.60 ? 44 LYS B CB 1 ATOM 2511 C CG . LYS B 2 44 ? 27.370 -8.104 -10.820 0.00 20.00 ? 44 LYS B CG 1 ATOM 2512 C CD . LYS B 2 44 ? 28.712 -8.779 -10.836 0.00 20.00 ? 44 LYS B CD 1 ATOM 2513 C CE . LYS B 2 44 ? 29.089 -9.102 -12.277 0.00 20.00 ? 44 LYS B CE 1 ATOM 2514 N NZ . LYS B 2 44 ? 30.438 -9.734 -12.371 0.00 20.00 ? 44 LYS B NZ 1 ATOM 2515 N N . LYS B 2 45 ? 24.635 -8.015 -7.009 1.00 47.22 ? 45 LYS B N 1 ATOM 2516 C CA . LYS B 2 45 ? 24.230 -7.853 -5.615 1.00 47.92 ? 45 LYS B CA 1 ATOM 2517 C C . LYS B 2 45 ? 25.471 -7.707 -4.723 1.00 47.99 ? 45 LYS B C 1 ATOM 2518 O O . LYS B 2 45 ? 26.461 -8.405 -4.911 1.00 48.64 ? 45 LYS B O 1 ATOM 2519 C CB . LYS B 2 45 ? 23.317 -9.026 -5.214 1.00 48.26 ? 45 LYS B CB 1 ATOM 2520 C CG . LYS B 2 45 ? 23.744 -9.782 -3.963 1.00 51.96 ? 45 LYS B CG 1 ATOM 2521 C CD . LYS B 2 45 ? 22.561 -10.259 -3.093 1.00 56.44 ? 45 LYS B CD 1 ATOM 2522 C CE . LYS B 2 45 ? 22.915 -11.618 -2.434 1.00 59.10 ? 45 LYS B CE 1 ATOM 2523 N NZ . LYS B 2 45 ? 22.279 -11.775 -1.093 1.00 59.65 ? 45 LYS B NZ 1 ATOM 2524 N N . ILE B 2 46 ? 25.451 -6.770 -3.788 1.00 48.28 ? 46 ILE B N 1 ATOM 2525 C CA . ILE B 2 46 ? 26.625 -6.501 -2.950 1.00 48.62 ? 46 ILE B CA 1 ATOM 2526 C C . ILE B 2 46 ? 26.659 -7.482 -1.776 1.00 50.07 ? 46 ILE B C 1 ATOM 2527 O O . ILE B 2 46 ? 25.647 -7.628 -1.073 1.00 50.30 ? 46 ILE B O 1 ATOM 2528 C CB . ILE B 2 46 ? 26.660 -5.004 -2.444 1.00 48.61 ? 46 ILE B CB 1 ATOM 2529 C CG1 . ILE B 2 46 ? 26.644 -4.036 -3.628 1.00 46.69 ? 46 ILE B CG1 1 ATOM 2530 C CG2 . ILE B 2 46 ? 27.878 -4.741 -1.541 1.00 47.30 ? 46 ILE B CG2 1 ATOM 2531 C CD1 . ILE B 2 46 ? 26.840 -2.615 -3.271 1.00 47.74 ? 46 ILE B CD1 1 ATOM 2532 N N . PRO B 2 47 ? 27.811 -8.149 -1.547 1.00 51.17 ? 47 PRO B N 1 ATOM 2533 C CA . PRO B 2 47 ? 27.808 -9.178 -0.502 1.00 52.33 ? 47 PRO B CA 1 ATOM 2534 C C . PRO B 2 47 ? 27.548 -8.667 0.948 1.00 53.14 ? 47 PRO B C 1 ATOM 2535 O O . PRO B 2 47 ? 26.528 -9.027 1.540 1.00 53.63 ? 47 PRO B O 1 ATOM 2536 C CB . PRO B 2 47 ? 29.206 -9.838 -0.629 1.00 52.08 ? 47 PRO B CB 1 ATOM 2537 C CG . PRO B 2 47 ? 29.736 -9.404 -1.944 1.00 51.85 ? 47 PRO B CG 1 ATOM 2538 C CD . PRO B 2 47 ? 29.142 -8.028 -2.167 1.00 51.58 ? 47 PRO B CD 1 ATOM 2539 N N . LYS B 2 48 ? 28.423 -7.839 1.517 1.00 53.49 ? 48 LYS B N 1 ATOM 2540 C CA . LYS B 2 48 ? 28.448 -7.754 2.994 1.00 54.11 ? 48 LYS B CA 1 ATOM 2541 C C . LYS B 2 48 ? 27.380 -6.837 3.707 1.00 54.10 ? 48 LYS B C 1 ATOM 2542 O O . LYS B 2 48 ? 27.613 -6.366 4.840 1.00 54.81 ? 48 LYS B O 1 ATOM 2543 C CB . LYS B 2 48 ? 29.909 -7.578 3.516 1.00 54.30 ? 48 LYS B CB 1 ATOM 2544 C CG . LYS B 2 48 ? 30.753 -8.909 3.559 1.00 55.27 ? 48 LYS B CG 1 ATOM 2545 C CD . LYS B 2 48 ? 32.294 -8.677 3.831 1.00 55.24 ? 48 LYS B CD 1 ATOM 2546 C CE . LYS B 2 48 ? 33.051 -9.979 4.220 1.00 55.12 ? 48 LYS B CE 1 ATOM 2547 N NZ . LYS B 2 48 ? 34.497 -9.772 4.592 1.00 53.54 ? 48 LYS B NZ 1 ATOM 2548 N N . VAL B 2 49 ? 26.212 -6.657 3.075 1.00 52.92 ? 49 VAL B N 1 ATOM 2549 C CA . VAL B 2 49 ? 25.175 -5.659 3.468 1.00 52.19 ? 49 VAL B CA 1 ATOM 2550 C C . VAL B 2 49 ? 24.482 -5.820 4.851 1.00 51.82 ? 49 VAL B C 1 ATOM 2551 O O . VAL B 2 49 ? 23.792 -6.815 5.098 1.00 51.05 ? 49 VAL B O 1 ATOM 2552 C CB . VAL B 2 49 ? 24.080 -5.559 2.365 1.00 51.55 ? 49 VAL B CB 1 ATOM 2553 C CG1 . VAL B 2 49 ? 23.009 -4.598 2.741 1.00 50.42 ? 49 VAL B CG1 1 ATOM 2554 C CG2 . VAL B 2 49 ? 24.695 -5.173 1.045 1.00 51.29 ? 49 VAL B CG2 1 ATOM 2555 N N . GLU B 2 50 ? 24.655 -4.819 5.725 1.00 51.43 ? 50 GLU B N 1 ATOM 2556 C CA . GLU B 2 50 ? 24.042 -4.793 7.067 1.00 51.27 ? 50 GLU B CA 1 ATOM 2557 C C . GLU B 2 50 ? 22.672 -4.159 7.004 1.00 50.65 ? 50 GLU B C 1 ATOM 2558 O O . GLU B 2 50 ? 22.508 -3.109 6.383 1.00 50.99 ? 50 GLU B O 1 ATOM 2559 C CB . GLU B 2 50 ? 24.847 -3.943 8.063 1.00 51.49 ? 50 GLU B CB 1 ATOM 2560 C CG . GLU B 2 50 ? 26.334 -4.102 8.054 1.00 53.56 ? 50 GLU B CG 1 ATOM 2561 C CD . GLU B 2 50 ? 26.776 -5.196 8.966 1.00 59.32 ? 50 GLU B CD 1 ATOM 2562 O OE1 . GLU B 2 50 ? 25.989 -5.570 9.879 1.00 62.50 ? 50 GLU B OE1 1 ATOM 2563 O OE2 . GLU B 2 50 ? 27.911 -5.687 8.777 1.00 60.78 ? 50 GLU B OE2 1 ATOM 2564 N N . MET B 2 51 ? 21.715 -4.773 7.697 1.00 50.21 ? 51 MET B N 1 ATOM 2565 C CA . MET B 2 51 ? 20.342 -4.281 7.827 1.00 49.93 ? 51 MET B CA 1 ATOM 2566 C C . MET B 2 51 ? 20.039 -3.896 9.267 1.00 49.05 ? 51 MET B C 1 ATOM 2567 O O . MET B 2 51 ? 20.559 -4.503 10.181 1.00 48.83 ? 51 MET B O 1 ATOM 2568 C CB . MET B 2 51 ? 19.363 -5.378 7.426 1.00 50.31 ? 51 MET B CB 1 ATOM 2569 C CG . MET B 2 51 ? 19.735 -6.090 6.165 1.00 51.88 ? 51 MET B CG 1 ATOM 2570 S SD . MET B 2 51 ? 19.103 -5.174 4.785 1.00 55.40 ? 51 MET B SD 1 ATOM 2571 C CE . MET B 2 51 ? 17.389 -5.698 4.902 1.00 58.23 ? 51 MET B CE 1 ATOM 2572 N N . SER B 2 52 ? 19.188 -2.902 9.478 1.00 48.43 ? 52 SER B N 1 ATOM 2573 C CA . SER B 2 52 ? 18.746 -2.591 10.832 1.00 48.03 ? 52 SER B CA 1 ATOM 2574 C C . SER B 2 52 ? 17.651 -3.562 11.227 1.00 47.82 ? 52 SER B C 1 ATOM 2575 O O . SER B 2 52 ? 17.190 -4.355 10.411 1.00 47.82 ? 52 SER B O 1 ATOM 2576 C CB . SER B 2 52 ? 18.257 -1.148 10.958 1.00 47.93 ? 52 SER B CB 1 ATOM 2577 O OG . SER B 2 52 ? 17.175 -0.871 10.083 1.00 49.87 ? 52 SER B OG 1 ATOM 2578 N N . ASP B 2 53 ? 17.271 -3.537 12.496 1.00 47.54 ? 53 ASP B N 1 ATOM 2579 C CA . ASP B 2 53 ? 16.157 -4.322 12.939 1.00 47.17 ? 53 ASP B CA 1 ATOM 2580 C C . ASP B 2 53 ? 14.968 -3.647 12.320 1.00 47.55 ? 53 ASP B C 1 ATOM 2581 O O . ASP B 2 53 ? 15.019 -2.432 12.061 1.00 47.50 ? 53 ASP B O 1 ATOM 2582 C CB . ASP B 2 53 ? 16.078 -4.320 14.458 1.00 46.89 ? 53 ASP B CB 1 ATOM 2583 C CG . ASP B 2 53 ? 17.204 -5.089 15.083 1.00 46.97 ? 53 ASP B CG 1 ATOM 2584 O OD1 . ASP B 2 53 ? 17.731 -6.017 14.443 1.00 47.59 ? 53 ASP B OD1 1 ATOM 2585 O OD2 . ASP B 2 53 ? 17.596 -4.762 16.206 1.00 48.52 ? 53 ASP B OD2 1 ATOM 2586 N N . MET B 2 54 ? 13.914 -4.408 12.022 1.00 47.52 ? 54 MET B N 1 ATOM 2587 C CA . MET B 2 54 ? 12.766 -3.745 11.458 1.00 48.00 ? 54 MET B CA 1 ATOM 2588 C C . MET B 2 54 ? 12.032 -3.039 12.559 1.00 47.00 ? 54 MET B C 1 ATOM 2589 O O . MET B 2 54 ? 12.055 -3.467 13.683 1.00 47.86 ? 54 MET B O 1 ATOM 2590 C CB . MET B 2 54 ? 11.830 -4.673 10.705 1.00 48.08 ? 54 MET B CB 1 ATOM 2591 C CG . MET B 2 54 ? 10.967 -3.857 9.726 1.00 48.50 ? 54 MET B CG 1 ATOM 2592 S SD . MET B 2 54 ? 10.191 -4.944 8.572 1.00 50.62 ? 54 MET B SD 1 ATOM 2593 C CE . MET B 2 54 ? 11.598 -5.298 7.513 1.00 51.47 ? 54 MET B CE 1 ATOM 2594 N N . SER B 2 55 ? 11.382 -1.946 12.218 1.00 46.61 ? 55 SER B N 1 ATOM 2595 C CA . SER B 2 55 ? 10.670 -1.151 13.172 1.00 45.87 ? 55 SER B CA 1 ATOM 2596 C C . SER B 2 55 ? 9.478 -0.572 12.427 1.00 45.35 ? 55 SER B C 1 ATOM 2597 O O . SER B 2 55 ? 9.256 -0.890 11.238 1.00 44.32 ? 55 SER B O 1 ATOM 2598 C CB . SER B 2 55 ? 11.584 -0.046 13.707 1.00 45.86 ? 55 SER B CB 1 ATOM 2599 O OG . SER B 2 55 ? 11.065 0.488 14.907 1.00 48.30 ? 55 SER B OG 1 ATOM 2600 N N . PHE B 2 56 ? 8.700 0.258 13.124 1.00 44.35 ? 56 PHE B N 1 ATOM 2601 C CA . PHE B 2 56 ? 7.622 0.952 12.475 1.00 43.98 ? 56 PHE B CA 1 ATOM 2602 C C . PHE B 2 56 ? 7.386 2.313 13.124 1.00 44.37 ? 56 PHE B C 1 ATOM 2603 O O . PHE B 2 56 ? 7.727 2.526 14.274 1.00 45.08 ? 56 PHE B O 1 ATOM 2604 C CB . PHE B 2 56 ? 6.366 0.073 12.423 1.00 43.58 ? 56 PHE B CB 1 ATOM 2605 C CG . PHE B 2 56 ? 5.781 -0.281 13.774 1.00 42.60 ? 56 PHE B CG 1 ATOM 2606 C CD1 . PHE B 2 56 ? 4.941 0.615 14.454 1.00 41.81 ? 56 PHE B CD1 1 ATOM 2607 C CD2 . PHE B 2 56 ? 6.034 -1.524 14.350 1.00 40.88 ? 56 PHE B CD2 1 ATOM 2608 C CE1 . PHE B 2 56 ? 4.386 0.280 15.704 1.00 41.08 ? 56 PHE B CE1 1 ATOM 2609 C CE2 . PHE B 2 56 ? 5.481 -1.873 15.587 1.00 39.57 ? 56 PHE B CE2 1 ATOM 2610 C CZ . PHE B 2 56 ? 4.654 -0.971 16.258 1.00 41.42 ? 56 PHE B CZ 1 ATOM 2611 N N . SER B 2 57 ? 6.824 3.245 12.371 1.00 44.45 ? 57 SER B N 1 ATOM 2612 C CA . SER B 2 57 ? 6.585 4.586 12.865 1.00 44.44 ? 57 SER B CA 1 ATOM 2613 C C . SER B 2 57 ? 5.194 4.715 13.474 1.00 44.59 ? 57 SER B C 1 ATOM 2614 O O . SER B 2 57 ? 4.423 3.763 13.471 1.00 43.40 ? 57 SER B O 1 ATOM 2615 C CB . SER B 2 57 ? 6.730 5.563 11.715 1.00 44.57 ? 57 SER B CB 1 ATOM 2616 O OG . SER B 2 57 ? 5.917 5.132 10.644 1.00 45.48 ? 57 SER B OG 1 ATOM 2617 N N . LYS B 2 58 ? 4.899 5.925 13.963 1.00 45.59 ? 58 LYS B N 1 ATOM 2618 C CA . LYS B 2 58 ? 3.634 6.309 14.601 1.00 46.89 ? 58 LYS B CA 1 ATOM 2619 C C . LYS B 2 58 ? 2.429 6.040 13.711 1.00 46.65 ? 58 LYS B C 1 ATOM 2620 O O . LYS B 2 58 ? 1.325 5.825 14.210 1.00 47.00 ? 58 LYS B O 1 ATOM 2621 C CB . LYS B 2 58 ? 3.670 7.788 14.986 1.00 46.58 ? 58 LYS B CB 1 ATOM 2622 C CG . LYS B 2 58 ? 3.005 8.117 16.320 1.00 49.31 ? 58 LYS B CG 1 ATOM 2623 C CD . LYS B 2 58 ? 2.565 9.625 16.426 1.00 49.98 ? 58 LYS B CD 1 ATOM 2624 C CE . LYS B 2 58 ? 1.152 9.928 15.769 1.00 53.93 ? 58 LYS B CE 1 ATOM 2625 N NZ . LYS B 2 58 ? 1.043 11.292 15.118 1.00 52.45 ? 58 LYS B NZ 1 ATOM 2626 N N . ASP B 2 59 ? 2.643 6.029 12.397 1.00 46.66 ? 59 ASP B N 1 ATOM 2627 C CA . ASP B 2 59 ? 1.583 5.721 11.438 1.00 46.59 ? 59 ASP B CA 1 ATOM 2628 C C . ASP B 2 59 ? 1.518 4.214 11.050 1.00 46.23 ? 59 ASP B C 1 ATOM 2629 O O . ASP B 2 59 ? 0.768 3.834 10.139 1.00 46.50 ? 59 ASP B O 1 ATOM 2630 C CB . ASP B 2 59 ? 1.772 6.580 10.194 1.00 46.53 ? 59 ASP B CB 1 ATOM 2631 C CG . ASP B 2 59 ? 2.581 5.882 9.134 1.00 48.24 ? 59 ASP B CG 1 ATOM 2632 O OD1 . ASP B 2 59 ? 3.595 5.212 9.451 1.00 48.06 ? 59 ASP B OD1 1 ATOM 2633 O OD2 . ASP B 2 59 ? 2.170 5.963 7.963 1.00 53.25 ? 59 ASP B OD2 1 ATOM 2634 N N . TRP B 2 60 ? 2.337 3.386 11.709 1.00 44.91 ? 60 TRP B N 1 ATOM 2635 C CA . TRP B 2 60 ? 2.255 1.909 11.651 1.00 43.98 ? 60 TRP B CA 1 ATOM 2636 C C . TRP B 2 60 ? 2.995 1.225 10.497 1.00 43.83 ? 60 TRP B C 1 ATOM 2637 O O . TRP B 2 60 ? 3.124 -0.019 10.489 1.00 44.18 ? 60 TRP B O 1 ATOM 2638 C CB . TRP B 2 60 ? 0.814 1.384 11.719 1.00 43.28 ? 60 TRP B CB 1 ATOM 2639 C CG . TRP B 2 60 ? 0.020 1.841 12.911 1.00 43.08 ? 60 TRP B CG 1 ATOM 2640 C CD1 . TRP B 2 60 ? -0.885 2.844 12.933 1.00 42.49 ? 60 TRP B CD1 1 ATOM 2641 C CD2 . TRP B 2 60 ? 0.057 1.303 14.242 1.00 42.13 ? 60 TRP B CD2 1 ATOM 2642 N NE1 . TRP B 2 60 ? -1.420 2.981 14.187 1.00 42.66 ? 60 TRP B NE1 1 ATOM 2643 C CE2 . TRP B 2 60 ? -0.853 2.050 15.016 1.00 43.06 ? 60 TRP B CE2 1 ATOM 2644 C CE3 . TRP B 2 60 ? 0.777 0.275 14.856 1.00 41.94 ? 60 TRP B CE3 1 ATOM 2645 C CZ2 . TRP B 2 60 ? -1.071 1.798 16.393 1.00 42.23 ? 60 TRP B CZ2 1 ATOM 2646 C CZ3 . TRP B 2 60 ? 0.555 0.022 16.226 1.00 42.85 ? 60 TRP B CZ3 1 ATOM 2647 C CH2 . TRP B 2 60 ? -0.358 0.784 16.970 1.00 41.61 ? 60 TRP B CH2 1 ATOM 2648 N N . SER B 2 61 ? 3.467 2.012 9.538 1.00 43.02 ? 61 SER B N 1 ATOM 2649 C CA . SER B 2 61 ? 4.168 1.481 8.377 1.00 42.96 ? 61 SER B CA 1 ATOM 2650 C C . SER B 2 61 ? 5.581 1.102 8.814 1.00 43.84 ? 61 SER B C 1 ATOM 2651 O O . SER B 2 61 ? 6.160 1.760 9.689 1.00 44.34 ? 61 SER B O 1 ATOM 2652 C CB . SER B 2 61 ? 4.234 2.546 7.271 1.00 43.22 ? 61 SER B CB 1 ATOM 2653 O OG . SER B 2 61 ? 4.678 3.814 7.788 1.00 42.01 ? 61 SER B OG 1 ATOM 2654 N N . PHE B 2 62 ? 6.136 0.042 8.222 1.00 43.79 ? 62 PHE B N 1 ATOM 2655 C CA . PHE B 2 62 ? 7.445 -0.445 8.600 1.00 43.69 ? 62 PHE B CA 1 ATOM 2656 C C . PHE B 2 62 ? 8.551 0.289 7.861 1.00 44.48 ? 62 PHE B C 1 ATOM 2657 O O . PHE B 2 62 ? 8.369 0.808 6.748 1.00 44.65 ? 62 PHE B O 1 ATOM 2658 C CB . PHE B 2 62 ? 7.528 -1.940 8.352 1.00 43.45 ? 62 PHE B CB 1 ATOM 2659 C CG . PHE B 2 62 ? 6.594 -2.751 9.228 1.00 44.55 ? 62 PHE B CG 1 ATOM 2660 C CD1 . PHE B 2 62 ? 5.317 -3.091 8.789 1.00 43.90 ? 62 PHE B CD1 1 ATOM 2661 C CD2 . PHE B 2 62 ? 6.995 -3.178 10.497 1.00 44.13 ? 62 PHE B CD2 1 ATOM 2662 C CE1 . PHE B 2 62 ? 4.455 -3.837 9.599 1.00 44.12 ? 62 PHE B CE1 1 ATOM 2663 C CE2 . PHE B 2 62 ? 6.140 -3.923 11.312 1.00 43.58 ? 62 PHE B CE2 1 ATOM 2664 C CZ . PHE B 2 62 ? 4.867 -4.244 10.872 1.00 43.20 ? 62 PHE B CZ 1 ATOM 2665 N N . TYR B 2 63 ? 9.706 0.367 8.495 1.00 44.79 ? 63 TYR B N 1 ATOM 2666 C CA . TYR B 2 63 ? 10.856 0.923 7.825 1.00 45.35 ? 63 TYR B CA 1 ATOM 2667 C C . TYR B 2 63 ? 12.070 0.152 8.232 1.00 45.82 ? 63 TYR B C 1 ATOM 2668 O O . TYR B 2 63 ? 12.093 -0.491 9.290 1.00 46.49 ? 63 TYR B O 1 ATOM 2669 C CB . TYR B 2 63 ? 11.052 2.391 8.177 1.00 45.48 ? 63 TYR B CB 1 ATOM 2670 C CG . TYR B 2 63 ? 11.235 2.641 9.637 1.00 45.01 ? 63 TYR B CG 1 ATOM 2671 C CD1 . TYR B 2 63 ? 12.479 2.470 10.260 1.00 45.19 ? 63 TYR B CD1 1 ATOM 2672 C CD2 . TYR B 2 63 ? 10.156 3.069 10.407 1.00 43.80 ? 63 TYR B CD2 1 ATOM 2673 C CE1 . TYR B 2 63 ? 12.624 2.740 11.653 1.00 46.91 ? 63 TYR B CE1 1 ATOM 2674 C CE2 . TYR B 2 63 ? 10.285 3.342 11.750 1.00 44.55 ? 63 TYR B CE2 1 ATOM 2675 C CZ . TYR B 2 63 ? 11.502 3.181 12.390 1.00 46.17 ? 63 TYR B CZ 1 ATOM 2676 O OH . TYR B 2 63 ? 11.553 3.451 13.767 1.00 47.28 ? 63 TYR B OH 1 ATOM 2677 N N . ILE B 2 64 ? 13.102 0.231 7.404 1.00 45.69 ? 64 ILE B N 1 ATOM 2678 C CA . ILE B 2 64 ? 14.268 -0.586 7.632 1.00 45.63 ? 64 ILE B CA 1 ATOM 2679 C C . ILE B 2 64 ? 15.396 0.128 6.947 1.00 45.31 ? 64 ILE B C 1 ATOM 2680 O O . ILE B 2 64 ? 15.188 0.656 5.839 1.00 45.35 ? 64 ILE B O 1 ATOM 2681 C CB . ILE B 2 64 ? 14.006 -2.024 7.102 1.00 45.81 ? 64 ILE B CB 1 ATOM 2682 C CG1 . ILE B 2 64 ? 15.256 -2.896 7.078 1.00 46.32 ? 64 ILE B CG1 1 ATOM 2683 C CG2 . ILE B 2 64 ? 13.280 -2.019 5.766 1.00 46.83 ? 64 ILE B CG2 1 ATOM 2684 C CD1 . ILE B 2 64 ? 15.173 -4.015 8.078 1.00 46.65 ? 64 ILE B CD1 1 ATOM 2685 N N . LEU B 2 65 ? 16.559 0.192 7.621 1.00 44.35 ? 65 LEU B N 1 ATOM 2686 C CA . LEU B 2 65 ? 17.785 0.797 7.032 1.00 43.90 ? 65 LEU B CA 1 ATOM 2687 C C . LEU B 2 65 ? 18.801 -0.252 6.561 1.00 43.96 ? 65 LEU B C 1 ATOM 2688 O O . LEU B 2 65 ? 19.303 -1.072 7.367 1.00 44.61 ? 65 LEU B O 1 ATOM 2689 C CB . LEU B 2 65 ? 18.472 1.796 7.984 1.00 43.00 ? 65 LEU B CB 1 ATOM 2690 C CG . LEU B 2 65 ? 19.762 2.472 7.476 1.00 43.09 ? 65 LEU B CG 1 ATOM 2691 C CD1 . LEU B 2 65 ? 19.547 3.343 6.249 1.00 41.53 ? 65 LEU B CD1 1 ATOM 2692 C CD2 . LEU B 2 65 ? 20.407 3.313 8.551 1.00 43.72 ? 65 LEU B CD2 1 ATOM 2693 N N . ALA B 2 66 ? 19.118 -0.227 5.269 1.00 43.12 ? 66 ALA B N 1 ATOM 2694 C CA . ALA B 2 66 ? 20.220 -1.038 4.775 1.00 42.83 ? 66 ALA B CA 1 ATOM 2695 C C . ALA B 2 66 ? 21.407 -0.140 4.511 1.00 42.75 ? 66 ALA B C 1 ATOM 2696 O O . ALA B 2 66 ? 21.236 1.051 4.164 1.00 42.37 ? 66 ALA B O 1 ATOM 2697 C CB . ALA B 2 66 ? 19.822 -1.783 3.522 1.00 43.29 ? 66 ALA B CB 1 ATOM 2698 N N . HIS B 2 67 ? 22.602 -0.696 4.704 1.00 42.43 ? 67 HIS B N 1 ATOM 2699 C CA . HIS B 2 67 ? 23.843 0.035 4.440 1.00 42.89 ? 67 HIS B CA 1 ATOM 2700 C C . HIS B 2 67 ? 25.041 -0.893 4.120 1.00 43.20 ? 67 HIS B C 1 ATOM 2701 O O . HIS B 2 67 ? 25.147 -2.007 4.656 1.00 43.54 ? 67 HIS B O 1 ATOM 2702 C CB . HIS B 2 67 ? 24.172 1.017 5.595 1.00 42.93 ? 67 HIS B CB 1 ATOM 2703 C CG . HIS B 2 67 ? 24.798 0.373 6.795 1.00 43.05 ? 67 HIS B CG 1 ATOM 2704 N ND1 . HIS B 2 67 ? 24.054 -0.112 7.848 1.00 44.92 ? 67 HIS B ND1 1 ATOM 2705 C CD2 . HIS B 2 67 ? 26.095 0.131 7.109 1.00 42.78 ? 67 HIS B CD2 1 ATOM 2706 C CE1 . HIS B 2 67 ? 24.866 -0.608 8.770 1.00 44.14 ? 67 HIS B CE1 1 ATOM 2707 N NE2 . HIS B 2 67 ? 26.109 -0.480 8.341 1.00 44.17 ? 67 HIS B NE2 1 ATOM 2708 N N . THR B 2 68 ? 25.928 -0.449 3.227 1.00 43.16 ? 68 THR B N 1 ATOM 2709 C CA . THR B 2 68 ? 27.150 -1.191 2.947 1.00 43.22 ? 68 THR B CA 1 ATOM 2710 C C . THR B 2 68 ? 28.297 -0.196 2.833 1.00 43.62 ? 68 THR B C 1 ATOM 2711 O O . THR B 2 68 ? 28.066 0.976 2.588 1.00 43.81 ? 68 THR B O 1 ATOM 2712 C CB . THR B 2 68 ? 27.011 -2.084 1.674 1.00 42.95 ? 68 THR B CB 1 ATOM 2713 O OG1 . THR B 2 68 ? 28.165 -2.918 1.530 1.00 43.47 ? 68 THR B OG1 1 ATOM 2714 C CG2 . THR B 2 68 ? 26.822 -1.238 0.397 1.00 43.14 ? 68 THR B CG2 1 ATOM 2715 N N . GLU B 2 69 ? 29.520 -0.653 3.049 1.00 44.34 ? 69 GLU B N 1 ATOM 2716 C CA . GLU B 2 69 ? 30.692 0.136 2.694 1.00 46.04 ? 69 GLU B CA 1 ATOM 2717 C C . GLU B 2 69 ? 30.804 0.204 1.177 1.00 46.22 ? 69 GLU B C 1 ATOM 2718 O O . GLU B 2 69 ? 30.413 -0.738 0.483 1.00 47.00 ? 69 GLU B O 1 ATOM 2719 C CB . GLU B 2 69 ? 31.955 -0.439 3.347 1.00 45.96 ? 69 GLU B CB 1 ATOM 2720 C CG . GLU B 2 69 ? 31.773 -0.454 4.881 1.00 50.89 ? 69 GLU B CG 1 ATOM 2721 C CD . GLU B 2 69 ? 32.836 -1.218 5.632 1.00 58.38 ? 69 GLU B CD 1 ATOM 2722 O OE1 . GLU B 2 69 ? 33.446 -2.153 5.045 1.00 61.53 ? 69 GLU B OE1 1 ATOM 2723 O OE2 . GLU B 2 69 ? 33.069 -0.879 6.819 1.00 61.36 ? 69 GLU B OE2 1 ATOM 2724 N N . PHE B 2 70 ? 31.296 1.324 0.662 1.00 45.94 ? 70 PHE B N 1 ATOM 2725 C CA . PHE B 2 70 ? 31.392 1.518 -0.765 1.00 45.98 ? 70 PHE B CA 1 ATOM 2726 C C . PHE B 2 70 ? 32.401 2.616 -1.048 1.00 46.37 ? 70 PHE B C 1 ATOM 2727 O O . PHE B 2 70 ? 32.464 3.610 -0.339 1.00 46.83 ? 70 PHE B O 1 ATOM 2728 C CB . PHE B 2 70 ? 30.003 1.770 -1.395 1.00 45.40 ? 70 PHE B CB 1 ATOM 2729 C CG . PHE B 2 70 ? 29.594 3.240 -1.505 1.00 46.36 ? 70 PHE B CG 1 ATOM 2730 C CD1 . PHE B 2 70 ? 29.499 4.068 -0.373 1.00 45.80 ? 70 PHE B CD1 1 ATOM 2731 C CD2 . PHE B 2 70 ? 29.235 3.782 -2.755 1.00 45.71 ? 70 PHE B CD2 1 ATOM 2732 C CE1 . PHE B 2 70 ? 29.111 5.424 -0.494 1.00 44.79 ? 70 PHE B CE1 1 ATOM 2733 C CE2 . PHE B 2 70 ? 28.854 5.132 -2.894 1.00 43.09 ? 70 PHE B CE2 1 ATOM 2734 C CZ . PHE B 2 70 ? 28.789 5.951 -1.768 1.00 45.01 ? 70 PHE B CZ 1 ATOM 2735 N N . THR B 2 71 ? 33.251 2.398 -2.038 1.00 46.57 ? 71 THR B N 1 ATOM 2736 C CA . THR B 2 71 ? 34.069 3.471 -2.533 1.00 46.95 ? 71 THR B CA 1 ATOM 2737 C C . THR B 2 71 ? 33.573 3.859 -3.933 1.00 46.57 ? 71 THR B C 1 ATOM 2738 O O . THR B 2 71 ? 33.700 3.068 -4.879 1.00 46.51 ? 71 THR B O 1 ATOM 2739 C CB . THR B 2 71 ? 35.556 3.140 -2.468 1.00 47.32 ? 71 THR B CB 1 ATOM 2740 O OG1 . THR B 2 71 ? 36.208 3.627 -3.652 1.00 48.18 ? 71 THR B OG1 1 ATOM 2741 C CG2 . THR B 2 71 ? 35.757 1.641 -2.342 1.00 48.56 ? 71 THR B CG2 1 ATOM 2742 N N . PRO B 2 72 ? 32.933 5.050 -4.041 1.00 46.01 ? 72 PRO B N 1 ATOM 2743 C CA . PRO B 2 72 ? 32.366 5.576 -5.274 1.00 45.29 ? 72 PRO B CA 1 ATOM 2744 C C . PRO B 2 72 ? 33.470 5.950 -6.262 1.00 45.22 ? 72 PRO B C 1 ATOM 2745 O O . PRO B 2 72 ? 34.556 6.396 -5.843 1.00 45.04 ? 72 PRO B O 1 ATOM 2746 C CB . PRO B 2 72 ? 31.640 6.837 -4.805 1.00 44.95 ? 72 PRO B CB 1 ATOM 2747 C CG . PRO B 2 72 ? 32.401 7.281 -3.629 1.00 45.49 ? 72 PRO B CG 1 ATOM 2748 C CD . PRO B 2 72 ? 32.713 5.986 -2.922 1.00 46.10 ? 72 PRO B CD 1 ATOM 2749 N N . THR B 2 73 ? 33.208 5.748 -7.556 1.00 44.62 ? 73 THR B N 1 ATOM 2750 C CA . THR B 2 73 ? 34.176 6.091 -8.592 1.00 44.51 ? 73 THR B CA 1 ATOM 2751 C C . THR B 2 73 ? 33.425 6.833 -9.692 1.00 44.86 ? 73 THR B C 1 ATOM 2752 O O . THR B 2 73 ? 32.203 6.923 -9.643 1.00 44.92 ? 73 THR B O 1 ATOM 2753 C CB . THR B 2 73 ? 34.889 4.843 -9.144 1.00 43.88 ? 73 THR B CB 1 ATOM 2754 O OG1 . THR B 2 73 ? 33.929 3.956 -9.726 1.00 46.29 ? 73 THR B OG1 1 ATOM 2755 C CG2 . THR B 2 73 ? 35.589 4.097 -8.055 1.00 42.36 ? 73 THR B CG2 1 ATOM 2756 N N . GLU B 2 74 ? 34.137 7.373 -10.678 1.00 45.40 ? 74 GLU B N 1 ATOM 2757 C CA . GLU B 2 74 ? 33.471 8.006 -11.819 1.00 45.60 ? 74 GLU B CA 1 ATOM 2758 C C . GLU B 2 74 ? 32.524 7.073 -12.575 1.00 45.17 ? 74 GLU B C 1 ATOM 2759 O O . GLU B 2 74 ? 31.499 7.535 -13.077 1.00 45.31 ? 74 GLU B O 1 ATOM 2760 C CB . GLU B 2 74 ? 34.489 8.582 -12.792 1.00 45.91 ? 74 GLU B CB 1 ATOM 2761 C CG . GLU B 2 74 ? 34.955 9.958 -12.424 1.00 48.02 ? 74 GLU B CG 1 ATOM 2762 C CD . GLU B 2 74 ? 36.101 10.441 -13.302 1.00 50.83 ? 74 GLU B CD 1 ATOM 2763 O OE1 . GLU B 2 74 ? 36.092 10.176 -14.528 1.00 49.29 ? 74 GLU B OE1 1 ATOM 2764 O OE2 . GLU B 2 74 ? 37.009 11.105 -12.747 1.00 53.18 ? 74 GLU B OE2 1 ATOM 2765 N N . THR B 2 75 ? 32.858 5.776 -12.641 1.00 44.29 ? 75 THR B N 1 ATOM 2766 C CA . THR B 2 75 ? 32.167 4.837 -13.544 1.00 43.70 ? 75 THR B CA 1 ATOM 2767 C C . THR B 2 75 ? 31.224 3.790 -12.931 1.00 43.40 ? 75 THR B C 1 ATOM 2768 O O . THR B 2 75 ? 30.493 3.119 -13.658 1.00 43.19 ? 75 THR B O 1 ATOM 2769 C CB . THR B 2 75 ? 33.168 4.071 -14.396 1.00 43.46 ? 75 THR B CB 1 ATOM 2770 O OG1 . THR B 2 75 ? 34.136 3.486 -13.529 1.00 43.35 ? 75 THR B OG1 1 ATOM 2771 C CG2 . THR B 2 75 ? 33.850 4.991 -15.398 1.00 43.10 ? 75 THR B CG2 1 ATOM 2772 N N . ASP B 2 76 ? 31.257 3.619 -11.615 1.00 43.32 ? 76 ASP B N 1 ATOM 2773 C CA . ASP B 2 76 ? 30.418 2.623 -10.967 1.00 42.72 ? 76 ASP B CA 1 ATOM 2774 C C . ASP B 2 76 ? 29.054 3.205 -10.672 1.00 42.76 ? 76 ASP B C 1 ATOM 2775 O O . ASP B 2 76 ? 28.928 4.340 -10.176 1.00 42.23 ? 76 ASP B O 1 ATOM 2776 C CB . ASP B 2 76 ? 31.025 2.177 -9.649 1.00 43.15 ? 76 ASP B CB 1 ATOM 2777 C CG . ASP B 2 76 ? 32.249 1.348 -9.813 1.00 43.82 ? 76 ASP B CG 1 ATOM 2778 O OD1 . ASP B 2 76 ? 32.289 0.450 -10.674 1.00 44.92 ? 76 ASP B OD1 1 ATOM 2779 O OD2 . ASP B 2 76 ? 33.170 1.575 -9.020 1.00 47.92 ? 76 ASP B OD2 1 ATOM 2780 N N . THR B 2 77 ? 28.023 2.416 -10.949 1.00 42.29 ? 77 THR B N 1 ATOM 2781 C CA . THR B 2 77 ? 26.702 2.800 -10.516 1.00 42.05 ? 77 THR B CA 1 ATOM 2782 C C . THR B 2 77 ? 26.313 1.952 -9.296 1.00 42.11 ? 77 THR B C 1 ATOM 2783 O O . THR B 2 77 ? 26.818 0.840 -9.117 1.00 42.63 ? 77 THR B O 1 ATOM 2784 C CB . THR B 2 77 ? 25.672 2.691 -11.659 1.00 41.95 ? 77 THR B CB 1 ATOM 2785 O OG1 . THR B 2 77 ? 25.255 1.329 -11.789 1.00 42.86 ? 77 THR B OG1 1 ATOM 2786 C CG2 . THR B 2 77 ? 26.238 3.217 -12.983 1.00 40.65 ? 77 THR B CG2 1 ATOM 2787 N N . TYR B 2 78 ? 25.427 2.473 -8.455 1.00 41.61 ? 78 TYR B N 1 ATOM 2788 C CA . TYR B 2 78 ? 25.036 1.767 -7.245 1.00 41.54 ? 78 TYR B CA 1 ATOM 2789 C C . TYR B 2 78 ? 23.527 1.877 -7.094 1.00 42.36 ? 78 TYR B C 1 ATOM 2790 O O . TYR B 2 78 ? 22.951 2.964 -7.289 1.00 42.55 ? 78 TYR B O 1 ATOM 2791 C CB . TYR B 2 78 ? 25.736 2.361 -6.026 1.00 41.07 ? 78 TYR B CB 1 ATOM 2792 C CG . TYR B 2 78 ? 27.205 2.040 -5.920 1.00 41.06 ? 78 TYR B CG 1 ATOM 2793 C CD1 . TYR B 2 78 ? 28.172 2.888 -6.486 1.00 42.00 ? 78 TYR B CD1 1 ATOM 2794 C CD2 . TYR B 2 78 ? 27.644 0.911 -5.231 1.00 39.49 ? 78 TYR B CD2 1 ATOM 2795 C CE1 . TYR B 2 78 ? 29.533 2.604 -6.392 1.00 41.65 ? 78 TYR B CE1 1 ATOM 2796 C CE2 . TYR B 2 78 ? 29.006 0.626 -5.119 1.00 40.34 ? 78 TYR B CE2 1 ATOM 2797 C CZ . TYR B 2 78 ? 29.943 1.473 -5.703 1.00 41.49 ? 78 TYR B CZ 1 ATOM 2798 O OH . TYR B 2 78 ? 31.280 1.190 -5.613 1.00 41.85 ? 78 TYR B OH 1 ATOM 2799 N N . ALA B 2 79 ? 22.867 0.773 -6.763 1.00 42.65 ? 79 ALA B N 1 ATOM 2800 C CA . ALA B 2 79 ? 21.413 0.811 -6.697 1.00 43.58 ? 79 ALA B CA 1 ATOM 2801 C C . ALA B 2 79 ? 20.865 0.150 -5.459 1.00 44.50 ? 79 ALA B C 1 ATOM 2802 O O . ALA B 2 79 ? 21.579 -0.579 -4.758 1.00 45.45 ? 79 ALA B O 1 ATOM 2803 C CB . ALA B 2 79 ? 20.821 0.172 -7.933 1.00 43.74 ? 79 ALA B CB 1 ATOM 2804 N N . CYS B 2 80 ? 19.588 0.385 -5.193 1.00 45.88 ? 80 CYS B N 1 ATOM 2805 C CA . CYS B 2 80 ? 18.881 -0.378 -4.161 1.00 45.98 ? 80 CYS B CA 1 ATOM 2806 C C . CYS B 2 80 ? 17.609 -1.022 -4.737 1.00 45.94 ? 80 CYS B C 1 ATOM 2807 O O . CYS B 2 80 ? 16.736 -0.307 -5.223 1.00 46.35 ? 80 CYS B O 1 ATOM 2808 C CB . CYS B 2 80 ? 18.566 0.522 -2.982 1.00 45.94 ? 80 CYS B CB 1 ATOM 2809 S SG . CYS B 2 80 ? 18.149 -0.440 -1.563 1.00 49.03 ? 80 CYS B SG 1 ATOM 2810 N N . ARG B 2 81 ? 17.532 -2.363 -4.733 1.00 45.84 ? 81 ARG B N 1 ATOM 2811 C CA . ARG B 2 81 ? 16.396 -3.117 -5.306 1.00 45.49 ? 81 ARG B CA 1 ATOM 2812 C C . ARG B 2 81 ? 15.555 -3.711 -4.196 1.00 44.77 ? 81 ARG B C 1 ATOM 2813 O O . ARG B 2 81 ? 16.111 -4.254 -3.262 1.00 45.25 ? 81 ARG B O 1 ATOM 2814 C CB . ARG B 2 81 ? 16.893 -4.239 -6.221 1.00 45.49 ? 81 ARG B CB 1 ATOM 2815 C CG . ARG B 2 81 ? 15.829 -5.302 -6.555 1.00 46.86 ? 81 ARG B CG 1 ATOM 2816 C CD . ARG B 2 81 ? 16.106 -6.147 -7.806 1.00 47.72 ? 81 ARG B CD 1 ATOM 2817 N NE . ARG B 2 81 ? 16.393 -5.293 -8.951 1.00 56.34 ? 81 ARG B NE 1 ATOM 2818 C CZ . ARG B 2 81 ? 17.429 -5.449 -9.788 1.00 60.35 ? 81 ARG B CZ 1 ATOM 2819 N NH1 . ARG B 2 81 ? 18.278 -6.479 -9.635 1.00 61.76 ? 81 ARG B NH1 1 ATOM 2820 N NH2 . ARG B 2 81 ? 17.608 -4.581 -10.801 1.00 59.41 ? 81 ARG B NH2 1 ATOM 2821 N N . VAL B 2 82 ? 14.222 -3.616 -4.296 1.00 44.43 ? 82 VAL B N 1 ATOM 2822 C CA . VAL B 2 82 ? 13.298 -4.118 -3.252 1.00 43.44 ? 82 VAL B CA 1 ATOM 2823 C C . VAL B 2 82 ? 12.143 -5.016 -3.752 1.00 43.78 ? 82 VAL B C 1 ATOM 2824 O O . VAL B 2 82 ? 11.316 -4.599 -4.553 1.00 44.20 ? 82 VAL B O 1 ATOM 2825 C CB . VAL B 2 82 ? 12.772 -2.933 -2.400 1.00 43.37 ? 82 VAL B CB 1 ATOM 2826 C CG1 . VAL B 2 82 ? 11.663 -3.348 -1.477 1.00 42.15 ? 82 VAL B CG1 1 ATOM 2827 C CG2 . VAL B 2 82 ? 13.918 -2.323 -1.599 1.00 41.97 ? 82 VAL B CG2 1 ATOM 2828 N N . LYS B 2 83 ? 12.092 -6.259 -3.275 1.00 44.01 ? 83 LYS B N 1 ATOM 2829 C CA . LYS B 2 83 ? 10.966 -7.153 -3.557 1.00 43.98 ? 83 LYS B CA 1 ATOM 2830 C C . LYS B 2 83 ? 9.971 -7.042 -2.436 1.00 43.40 ? 83 LYS B C 1 ATOM 2831 O O . LYS B 2 83 ? 10.328 -7.192 -1.269 1.00 43.99 ? 83 LYS B O 1 ATOM 2832 C CB . LYS B 2 83 ? 11.401 -8.628 -3.628 1.00 44.46 ? 83 LYS B CB 1 ATOM 2833 C CG . LYS B 2 83 ? 12.567 -8.963 -4.572 1.00 45.84 ? 83 LYS B CG 1 ATOM 2834 C CD . LYS B 2 83 ? 12.469 -10.398 -5.148 1.00 45.32 ? 83 LYS B CD 1 ATOM 2835 C CE . LYS B 2 83 ? 13.649 -10.695 -6.119 1.00 47.28 ? 83 LYS B CE 1 ATOM 2836 N NZ . LYS B 2 83 ? 13.293 -11.540 -7.305 1.00 46.57 ? 83 LYS B NZ 1 ATOM 2837 N N . HIS B 2 84 ? 8.712 -6.820 -2.765 1.00 42.65 ? 84 HIS B N 1 ATOM 2838 C CA . HIS B 2 84 ? 7.699 -6.782 -1.727 1.00 41.89 ? 84 HIS B CA 1 ATOM 2839 C C . HIS B 2 84 ? 6.359 -7.245 -2.263 1.00 42.48 ? 84 HIS B C 1 ATOM 2840 O O . HIS B 2 84 ? 6.106 -7.189 -3.480 1.00 41.94 ? 84 HIS B O 1 ATOM 2841 C CB . HIS B 2 84 ? 7.609 -5.389 -1.156 1.00 41.08 ? 84 HIS B CB 1 ATOM 2842 C CG . HIS B 2 84 ? 6.737 -5.276 0.044 1.00 39.90 ? 84 HIS B CG 1 ATOM 2843 N ND1 . HIS B 2 84 ? 5.393 -5.001 -0.041 1.00 41.09 ? 84 HIS B ND1 1 ATOM 2844 C CD2 . HIS B 2 84 ? 7.026 -5.340 1.364 1.00 38.82 ? 84 HIS B CD2 1 ATOM 2845 C CE1 . HIS B 2 84 ? 4.887 -4.923 1.178 1.00 40.45 ? 84 HIS B CE1 1 ATOM 2846 N NE2 . HIS B 2 84 ? 5.862 -5.120 2.048 1.00 37.84 ? 84 HIS B NE2 1 ATOM 2847 N N . ALA B 2 85 ? 5.507 -7.729 -1.353 1.00 43.18 ? 85 ALA B N 1 ATOM 2848 C CA . ALA B 2 85 ? 4.245 -8.316 -1.771 1.00 43.78 ? 85 ALA B CA 1 ATOM 2849 C C . ALA B 2 85 ? 3.387 -7.289 -2.509 1.00 44.43 ? 85 ALA B C 1 ATOM 2850 O O . ALA B 2 85 ? 2.648 -7.635 -3.417 1.00 44.72 ? 85 ALA B O 1 ATOM 2851 C CB . ALA B 2 85 ? 3.509 -8.888 -0.595 1.00 43.32 ? 85 ALA B CB 1 ATOM 2852 N N . SER B 2 86 ? 3.507 -6.021 -2.128 1.00 45.18 ? 86 SER B N 1 ATOM 2853 C CA . SER B 2 86 ? 2.688 -4.960 -2.711 1.00 45.96 ? 86 SER B CA 1 ATOM 2854 C C . SER B 2 86 ? 3.021 -4.620 -4.171 1.00 46.27 ? 86 SER B C 1 ATOM 2855 O O . SER B 2 86 ? 2.284 -3.875 -4.797 1.00 46.55 ? 86 SER B O 1 ATOM 2856 C CB . SER B 2 86 ? 2.787 -3.684 -1.876 1.00 46.06 ? 86 SER B CB 1 ATOM 2857 O OG . SER B 2 86 ? 4.103 -3.178 -1.928 1.00 46.65 ? 86 SER B OG 1 ATOM 2858 N N . MET B 2 87 ? 4.108 -5.158 -4.715 1.00 46.49 ? 87 MET B N 1 ATOM 2859 C CA . MET B 2 87 ? 4.582 -4.719 -6.021 1.00 46.42 ? 87 MET B CA 1 ATOM 2860 C C . MET B 2 87 ? 4.719 -5.868 -6.978 1.00 46.40 ? 87 MET B C 1 ATOM 2861 O O . MET B 2 87 ? 5.397 -6.849 -6.680 1.00 46.23 ? 87 MET B O 1 ATOM 2862 C CB . MET B 2 87 ? 5.916 -4.004 -5.879 1.00 46.50 ? 87 MET B CB 1 ATOM 2863 C CG . MET B 2 87 ? 5.796 -2.581 -5.336 1.00 47.30 ? 87 MET B CG 1 ATOM 2864 S SD . MET B 2 87 ? 7.406 -1.819 -5.227 1.00 46.91 ? 87 MET B SD 1 ATOM 2865 C CE . MET B 2 87 ? 8.331 -3.158 -4.447 1.00 45.16 ? 87 MET B CE 1 ATOM 2866 N N . ALA B 2 88 ? 4.071 -5.744 -8.138 1.00 46.77 ? 88 ALA B N 1 ATOM 2867 C CA . ALA B 2 88 ? 4.099 -6.811 -9.148 1.00 46.47 ? 88 ALA B CA 1 ATOM 2868 C C . ALA B 2 88 ? 5.550 -7.127 -9.467 1.00 45.97 ? 88 ALA B C 1 ATOM 2869 O O . ALA B 2 88 ? 5.881 -8.242 -9.831 1.00 45.77 ? 88 ALA B O 1 ATOM 2870 C CB . ALA B 2 88 ? 3.337 -6.398 -10.415 1.00 46.26 ? 88 ALA B CB 1 ATOM 2871 N N . GLU B 2 89 ? 6.406 -6.139 -9.241 1.00 45.61 ? 89 GLU B N 1 ATOM 2872 C CA . GLU B 2 89 ? 7.725 -6.076 -9.846 1.00 45.82 ? 89 GLU B CA 1 ATOM 2873 C C . GLU B 2 89 ? 8.709 -5.415 -8.852 1.00 45.46 ? 89 GLU B C 1 ATOM 2874 O O . GLU B 2 89 ? 8.334 -4.515 -8.121 1.00 44.94 ? 89 GLU B O 1 ATOM 2875 C CB . GLU B 2 89 ? 7.601 -5.277 -11.156 1.00 45.60 ? 89 GLU B CB 1 ATOM 2876 C CG . GLU B 2 89 ? 8.708 -5.447 -12.172 1.00 47.46 ? 89 GLU B CG 1 ATOM 2877 C CD . GLU B 2 89 ? 8.693 -6.783 -12.918 1.00 49.92 ? 89 GLU B CD 1 ATOM 2878 O OE1 . GLU B 2 89 ? 7.741 -7.072 -13.694 1.00 48.72 ? 89 GLU B OE1 1 ATOM 2879 O OE2 . GLU B 2 89 ? 9.681 -7.536 -12.751 1.00 52.04 ? 89 GLU B OE2 1 ATOM 2880 N N . PRO B 2 90 ? 9.961 -5.904 -8.793 1.00 45.74 ? 90 PRO B N 1 ATOM 2881 C CA . PRO B 2 90 ? 10.979 -5.299 -7.966 1.00 45.76 ? 90 PRO B CA 1 ATOM 2882 C C . PRO B 2 90 ? 11.227 -3.853 -8.350 1.00 46.13 ? 90 PRO B C 1 ATOM 2883 O O . PRO B 2 90 ? 11.216 -3.512 -9.524 1.00 45.90 ? 90 PRO B O 1 ATOM 2884 C CB . PRO B 2 90 ? 12.216 -6.129 -8.295 1.00 45.88 ? 90 PRO B CB 1 ATOM 2885 C CG . PRO B 2 90 ? 11.703 -7.425 -8.696 1.00 45.46 ? 90 PRO B CG 1 ATOM 2886 C CD . PRO B 2 90 ? 10.489 -7.091 -9.489 1.00 45.94 ? 90 PRO B CD 1 ATOM 2887 N N . LYS B 2 91 ? 11.451 -3.015 -7.351 1.00 46.82 ? 91 LYS B N 1 ATOM 2888 C CA . LYS B 2 91 ? 11.682 -1.607 -7.573 1.00 48.00 ? 91 LYS B CA 1 ATOM 2889 C C . LYS B 2 91 ? 13.143 -1.318 -7.331 1.00 47.29 ? 91 LYS B C 1 ATOM 2890 O O . LYS B 2 91 ? 13.720 -1.743 -6.338 1.00 47.46 ? 91 LYS B O 1 ATOM 2891 C CB . LYS B 2 91 ? 10.802 -0.761 -6.640 1.00 48.10 ? 91 LYS B CB 1 ATOM 2892 C CG . LYS B 2 91 ? 10.870 0.767 -6.847 1.00 49.53 ? 91 LYS B CG 1 ATOM 2893 C CD . LYS B 2 91 ? 10.251 1.509 -5.655 1.00 50.85 ? 91 LYS B CD 1 ATOM 2894 C CE . LYS B 2 91 ? 9.848 2.948 -6.013 1.00 56.22 ? 91 LYS B CE 1 ATOM 2895 N NZ . LYS B 2 91 ? 8.676 3.400 -5.194 1.00 58.23 ? 91 LYS B NZ 1 ATOM 2896 N N . THR B 2 92 ? 13.732 -0.577 -8.254 1.00 47.25 ? 92 THR B N 1 ATOM 2897 C CA . THR B 2 92 ? 15.131 -0.202 -8.172 1.00 47.09 ? 92 THR B CA 1 ATOM 2898 C C . THR B 2 92 ? 15.258 1.328 -8.188 1.00 46.92 ? 92 THR B C 1 ATOM 2899 O O . THR B 2 92 ? 14.712 2.007 -9.066 1.00 47.45 ? 92 THR B O 1 ATOM 2900 C CB . THR B 2 92 ? 15.925 -0.815 -9.356 1.00 47.03 ? 92 THR B CB 1 ATOM 2901 O OG1 . THR B 2 92 ? 15.692 -2.225 -9.412 1.00 46.40 ? 92 THR B OG1 1 ATOM 2902 C CG2 . THR B 2 92 ? 17.402 -0.571 -9.186 1.00 47.94 ? 92 THR B CG2 1 ATOM 2903 N N . VAL B 2 93 ? 15.950 1.892 -7.211 1.00 46.26 ? 93 VAL B N 1 ATOM 2904 C CA . VAL B 2 93 ? 16.327 3.278 -7.353 1.00 45.40 ? 93 VAL B CA 1 ATOM 2905 C C . VAL B 2 93 ? 17.831 3.353 -7.281 1.00 45.68 ? 93 VAL B C 1 ATOM 2906 O O . VAL B 2 93 ? 18.449 2.675 -6.450 1.00 45.49 ? 93 VAL B O 1 ATOM 2907 C CB . VAL B 2 93 ? 15.516 4.285 -6.453 1.00 45.23 ? 93 VAL B CB 1 ATOM 2908 C CG1 . VAL B 2 93 ? 14.370 3.623 -5.756 1.00 43.87 ? 93 VAL B CG1 1 ATOM 2909 C CG2 . VAL B 2 93 ? 16.404 5.129 -5.527 1.00 43.65 ? 93 VAL B CG2 1 ATOM 2910 N N . TYR B 2 94 ? 18.406 4.128 -8.197 1.00 45.72 ? 94 TYR B N 1 ATOM 2911 C CA . TYR B 2 94 ? 19.853 4.233 -8.324 1.00 46.48 ? 94 TYR B CA 1 ATOM 2912 C C . TYR B 2 94 ? 20.378 5.393 -7.492 1.00 46.46 ? 94 TYR B C 1 ATOM 2913 O O . TYR B 2 94 ? 19.769 6.457 -7.478 1.00 46.94 ? 94 TYR B O 1 ATOM 2914 C CB . TYR B 2 94 ? 20.239 4.436 -9.794 1.00 47.30 ? 94 TYR B CB 1 ATOM 2915 C CG . TYR B 2 94 ? 20.021 3.227 -10.692 1.00 48.52 ? 94 TYR B CG 1 ATOM 2916 C CD1 . TYR B 2 94 ? 18.757 2.934 -11.226 1.00 47.86 ? 94 TYR B CD1 1 ATOM 2917 C CD2 . TYR B 2 94 ? 21.093 2.385 -11.018 1.00 50.55 ? 94 TYR B CD2 1 ATOM 2918 C CE1 . TYR B 2 94 ? 18.552 1.813 -12.054 1.00 49.68 ? 94 TYR B CE1 1 ATOM 2919 C CE2 . TYR B 2 94 ? 20.910 1.257 -11.841 1.00 51.22 ? 94 TYR B CE2 1 ATOM 2920 C CZ . TYR B 2 94 ? 19.635 0.974 -12.356 1.00 50.75 ? 94 TYR B CZ 1 ATOM 2921 O OH . TYR B 2 94 ? 19.477 -0.133 -13.182 1.00 49.11 ? 94 TYR B OH 1 ATOM 2922 N N . TRP B 2 95 ? 21.484 5.193 -6.783 1.00 45.82 ? 95 TRP B N 1 ATOM 2923 C CA . TRP B 2 95 ? 22.211 6.318 -6.206 1.00 45.98 ? 95 TRP B CA 1 ATOM 2924 C C . TRP B 2 95 ? 22.632 7.385 -7.266 1.00 47.15 ? 95 TRP B C 1 ATOM 2925 O O . TRP B 2 95 ? 23.191 7.062 -8.324 1.00 46.09 ? 95 TRP B O 1 ATOM 2926 C CB . TRP B 2 95 ? 23.434 5.799 -5.485 1.00 44.67 ? 95 TRP B CB 1 ATOM 2927 C CG . TRP B 2 95 ? 24.254 6.849 -4.858 1.00 43.47 ? 95 TRP B CG 1 ATOM 2928 C CD1 . TRP B 2 95 ? 23.874 7.732 -3.867 1.00 43.28 ? 95 TRP B CD1 1 ATOM 2929 C CD2 . TRP B 2 95 ? 25.620 7.107 -5.114 1.00 42.16 ? 95 TRP B CD2 1 ATOM 2930 N NE1 . TRP B 2 95 ? 24.931 8.524 -3.509 1.00 41.62 ? 95 TRP B NE1 1 ATOM 2931 C CE2 . TRP B 2 95 ? 26.018 8.157 -4.256 1.00 41.24 ? 95 TRP B CE2 1 ATOM 2932 C CE3 . TRP B 2 95 ? 26.562 6.546 -5.982 1.00 43.57 ? 95 TRP B CE3 1 ATOM 2933 C CZ2 . TRP B 2 95 ? 27.301 8.668 -4.258 1.00 42.66 ? 95 TRP B CZ2 1 ATOM 2934 C CZ3 . TRP B 2 95 ? 27.846 7.061 -5.982 1.00 43.82 ? 95 TRP B CZ3 1 ATOM 2935 C CH2 . TRP B 2 95 ? 28.200 8.119 -5.131 1.00 43.72 ? 95 TRP B CH2 1 ATOM 2936 N N . ASP B 2 96 ? 22.317 8.642 -6.975 1.00 48.85 ? 96 ASP B N 1 ATOM 2937 C CA . ASP B 2 96 ? 22.721 9.767 -7.807 1.00 51.13 ? 96 ASP B CA 1 ATOM 2938 C C . ASP B 2 96 ? 23.401 10.779 -6.883 1.00 52.73 ? 96 ASP B C 1 ATOM 2939 O O . ASP B 2 96 ? 22.724 11.461 -6.103 1.00 53.32 ? 96 ASP B O 1 ATOM 2940 C CB . ASP B 2 96 ? 21.498 10.391 -8.480 1.00 50.78 ? 96 ASP B CB 1 ATOM 2941 C CG . ASP B 2 96 ? 21.871 11.464 -9.503 1.00 52.09 ? 96 ASP B CG 1 ATOM 2942 O OD1 . ASP B 2 96 ? 21.070 11.731 -10.426 1.00 53.68 ? 96 ASP B OD1 1 ATOM 2943 O OD2 . ASP B 2 96 ? 22.962 12.052 -9.395 1.00 51.70 ? 96 ASP B OD2 1 ATOM 2944 N N . ARG B 2 97 ? 24.731 10.856 -6.932 1.00 54.25 ? 97 ARG B N 1 ATOM 2945 C CA . ARG B 2 97 ? 25.462 11.671 -5.970 1.00 55.98 ? 97 ARG B CA 1 ATOM 2946 C C . ARG B 2 97 ? 25.009 13.137 -6.002 1.00 57.54 ? 97 ARG B C 1 ATOM 2947 O O . ARG B 2 97 ? 25.143 13.848 -5.005 1.00 58.41 ? 97 ARG B O 1 ATOM 2948 C CB . ARG B 2 97 ? 26.976 11.562 -6.195 1.00 55.90 ? 97 ARG B CB 1 ATOM 2949 C CG . ARG B 2 97 ? 27.621 12.701 -7.009 1.00 56.08 ? 97 ARG B CG 1 ATOM 2950 C CD . ARG B 2 97 ? 29.063 12.377 -7.359 1.00 56.33 ? 97 ARG B CD 1 ATOM 2951 N NE . ARG B 2 97 ? 29.136 11.035 -7.941 1.00 56.96 ? 97 ARG B NE 1 ATOM 2952 C CZ . ARG B 2 97 ? 30.175 10.207 -7.834 1.00 57.17 ? 97 ARG B CZ 1 ATOM 2953 N NH1 . ARG B 2 97 ? 31.279 10.575 -7.166 1.00 56.14 ? 97 ARG B NH1 1 ATOM 2954 N NH2 . ARG B 2 97 ? 30.103 9.003 -8.402 1.00 55.64 ? 97 ARG B NH2 1 ATOM 2955 N N . ASP B 2 98 ? 24.470 13.569 -7.146 1.00 58.91 ? 98 ASP B N 1 ATOM 2956 C CA . ASP B 2 98 ? 24.058 14.954 -7.393 1.00 60.09 ? 98 ASP B CA 1 ATOM 2957 C C . ASP B 2 98 ? 22.640 15.309 -6.900 1.00 61.31 ? 98 ASP B C 1 ATOM 2958 O O . ASP B 2 98 ? 22.304 16.500 -6.758 1.00 61.33 ? 98 ASP B O 1 ATOM 2959 C CB . ASP B 2 98 ? 24.179 15.266 -8.885 1.00 59.95 ? 98 ASP B CB 1 ATOM 2960 C CG . ASP B 2 98 ? 25.613 15.570 -9.309 1.00 61.30 ? 98 ASP B CG 1 ATOM 2961 O OD1 . ASP B 2 98 ? 26.391 16.138 -8.490 1.00 62.42 ? 98 ASP B OD1 1 ATOM 2962 O OD2 . ASP B 2 98 ? 25.959 15.249 -10.473 1.00 60.70 ? 98 ASP B OD2 1 ATOM 2963 N N . MET B 2 99 ? 21.821 14.280 -6.651 1.00 62.56 ? 99 MET B N 1 ATOM 2964 C CA . MET B 2 99 ? 20.439 14.429 -6.171 1.00 63.91 ? 99 MET B CA 1 ATOM 2965 C C . MET B 2 99 ? 20.377 14.408 -4.646 1.00 63.81 ? 99 MET B C 1 ATOM 2966 O O . MET B 2 99 ? 19.410 14.013 -3.980 1.00 64.13 ? 99 MET B O 1 ATOM 2967 C CB . MET B 2 99 ? 19.555 13.329 -6.743 1.00 63.33 ? 99 MET B CB 1 ATOM 2968 C CG . MET B 2 99 ? 19.139 13.564 -8.162 1.00 64.62 ? 99 MET B CG 1 ATOM 2969 S SD . MET B 2 99 ? 17.448 13.017 -8.509 1.00 66.97 ? 99 MET B SD 1 ATOM 2970 C CE . MET B 2 99 ? 17.209 11.587 -7.400 1.00 65.33 ? 99 MET B CE 1 ATOM 2971 O OXT . MET B 2 99 ? 21.350 14.802 -4.028 1.00 64.19 ? 99 MET B OXT 1 HETATM 2972 C C1 . NAG C 3 . ? 3.011 -21.631 6.724 1.00 53.47 ? 501 NAG A C1 1 HETATM 2973 C C2 . NAG C 3 . ? 3.131 -22.792 5.730 1.00 55.93 ? 501 NAG A C2 1 HETATM 2974 C C3 . NAG C 3 . ? 4.623 -23.084 5.481 1.00 56.94 ? 501 NAG A C3 1 HETATM 2975 C C4 . NAG C 3 . ? 5.284 -21.877 4.795 1.00 56.70 ? 501 NAG A C4 1 HETATM 2976 C C5 . NAG C 3 . ? 4.953 -20.574 5.553 1.00 56.61 ? 501 NAG A C5 1 HETATM 2977 C C6 . NAG C 3 . ? 5.135 -19.404 4.576 1.00 57.45 ? 501 NAG A C6 1 HETATM 2978 C C7 . NAG C 3 . ? 1.474 -24.578 5.298 1.00 55.51 ? 501 NAG A C7 1 HETATM 2979 C C8 . NAG C 3 . ? 1.825 -25.954 4.784 1.00 55.84 ? 501 NAG A C8 1 HETATM 2980 N N2 . NAG C 3 . ? 2.365 -23.985 6.113 1.00 55.82 ? 501 NAG A N2 1 HETATM 2981 O O3 . NAG C 3 . ? 4.773 -24.244 4.687 1.00 57.48 ? 501 NAG A O3 1 HETATM 2982 O O4 . NAG C 3 . ? 6.690 -22.065 4.600 1.00 55.05 ? 501 NAG A O4 1 HETATM 2983 O O5 . NAG C 3 . ? 3.627 -20.497 6.110 1.00 54.88 ? 501 NAG A O5 1 HETATM 2984 O O6 . NAG C 3 . ? 5.681 -18.262 5.214 1.00 57.37 ? 501 NAG A O6 1 HETATM 2985 O O7 . NAG C 3 . ? 0.407 -24.053 4.963 1.00 53.16 ? 501 NAG A O7 1 HETATM 2986 C C1 . NAG D 3 . ? 9.203 -18.261 16.859 1.00 51.08 ? 510 NAG A C1 1 HETATM 2987 C C2 . NAG D 3 . ? 9.419 -19.350 15.791 1.00 50.71 ? 510 NAG A C2 1 HETATM 2988 C C3 . NAG D 3 . ? 8.577 -20.600 16.039 1.00 52.57 ? 510 NAG A C3 1 HETATM 2989 C C4 . NAG D 3 . ? 8.803 -21.099 17.471 1.00 54.14 ? 510 NAG A C4 1 HETATM 2990 C C5 . NAG D 3 . ? 8.401 -19.934 18.400 1.00 53.34 ? 510 NAG A C5 1 HETATM 2991 C C6 . NAG D 3 . ? 8.558 -20.289 19.873 1.00 53.11 ? 510 NAG A C6 1 HETATM 2992 C C7 . NAG D 3 . ? 9.833 -19.085 13.415 1.00 47.36 ? 510 NAG A C7 1 HETATM 2993 C C8 . NAG D 3 . ? 9.251 -18.773 12.079 1.00 46.50 ? 510 NAG A C8 1 HETATM 2994 N N2 . NAG D 3 . ? 9.077 -18.844 14.474 1.00 48.68 ? 510 NAG A N2 1 HETATM 2995 O O3 . NAG D 3 . ? 8.903 -21.570 15.067 1.00 53.27 ? 510 NAG A O3 1 HETATM 2996 O O4 . NAG D 3 . ? 8.154 -22.354 17.757 1.00 54.17 ? 510 NAG A O4 1 HETATM 2997 O O5 . NAG D 3 . ? 9.247 -18.817 18.158 1.00 51.43 ? 510 NAG A O5 1 HETATM 2998 O O6 . NAG D 3 . ? 9.946 -20.387 20.106 1.00 52.74 ? 510 NAG A O6 1 HETATM 2999 O O7 . NAG D 3 . ? 10.965 -19.530 13.494 1.00 46.81 ? 510 NAG A O7 1 HETATM 3000 C C1 . NAG E 3 . ? -3.461 3.545 36.195 1.00 46.05 ? 520 NAG A C1 1 HETATM 3001 C C2 . NAG E 3 . ? -4.331 3.177 37.411 1.00 45.05 ? 520 NAG A C2 1 HETATM 3002 C C3 . NAG E 3 . ? -5.804 3.234 37.062 1.00 46.41 ? 520 NAG A C3 1 HETATM 3003 C C4 . NAG E 3 . ? -6.235 4.561 36.415 1.00 48.36 ? 520 NAG A C4 1 HETATM 3004 C C5 . NAG E 3 . ? -5.238 5.014 35.373 1.00 47.36 ? 520 NAG A C5 1 HETATM 3005 C C6 . NAG E 3 . ? -5.378 6.495 35.093 1.00 47.22 ? 520 NAG A C6 1 HETATM 3006 C C7 . NAG E 3 . ? -3.233 1.648 38.958 1.00 40.07 ? 520 NAG A C7 1 HETATM 3007 C C8 . NAG E 3 . ? -3.140 0.204 39.360 1.00 39.56 ? 520 NAG A C8 1 HETATM 3008 N N2 . NAG E 3 . ? -4.040 1.862 37.922 1.00 41.63 ? 520 NAG A N2 1 HETATM 3009 O O3 . NAG E 3 . ? -6.473 3.002 38.266 1.00 44.42 ? 520 NAG A O3 1 HETATM 3010 O O4 . NAG E 3 . ? -7.468 4.429 35.742 1.00 52.34 ? 520 NAG A O4 1 HETATM 3011 O O5 . NAG E 3 . ? -3.905 4.839 35.797 1.00 48.17 ? 520 NAG A O5 1 HETATM 3012 O O6 . NAG E 3 . ? -4.629 6.733 33.919 1.00 50.39 ? 520 NAG A O6 1 HETATM 3013 O O7 . NAG E 3 . ? -2.600 2.523 39.558 1.00 36.27 ? 520 NAG A O7 1 HETATM 3014 C C1 . NAG F 3 . ? -8.485 5.233 36.386 1.00 58.35 ? 521 NAG A C1 1 HETATM 3015 C C2 . NAG F 3 . ? -9.547 5.694 35.375 1.00 59.46 ? 521 NAG A C2 1 HETATM 3016 C C3 . NAG F 3 . ? -10.719 6.367 36.094 1.00 61.76 ? 521 NAG A C3 1 HETATM 3017 C C4 . NAG F 3 . ? -11.288 5.483 37.202 1.00 63.82 ? 521 NAG A C4 1 HETATM 3018 C C5 . NAG F 3 . ? -10.147 5.142 38.168 1.00 63.37 ? 521 NAG A C5 1 HETATM 3019 C C6 . NAG F 3 . ? -10.585 4.188 39.286 1.00 63.69 ? 521 NAG A C6 1 HETATM 3020 C C7 . NAG F 3 . ? -9.234 6.551 33.090 1.00 58.58 ? 521 NAG A C7 1 HETATM 3021 C C8 . NAG F 3 . ? -8.784 7.749 32.315 1.00 58.77 ? 521 NAG A C8 1 HETATM 3022 N N2 . NAG F 3 . ? -8.977 6.608 34.403 1.00 58.10 ? 521 NAG A N2 1 HETATM 3023 O O3 . NAG F 3 . ? -11.735 6.703 35.178 1.00 62.01 ? 521 NAG A O3 1 HETATM 3024 O O4 . NAG F 3 . ? -12.303 6.206 37.887 1.00 68.64 ? 521 NAG A O4 1 HETATM 3025 O O5 . NAG F 3 . ? -9.065 4.532 37.478 1.00 61.28 ? 521 NAG A O5 1 HETATM 3026 O O6 . NAG F 3 . ? -10.578 2.854 38.810 1.00 62.29 ? 521 NAG A O6 1 HETATM 3027 O O7 . NAG F 3 . ? -9.791 5.618 32.499 1.00 57.47 ? 521 NAG A O7 1 HETATM 3028 C C1 . BMA G 4 . ? -13.641 5.650 37.730 1.00 69.94 ? 522 BMA A C1 1 HETATM 3029 C C2 . BMA G 4 . ? -14.396 5.855 39.062 1.00 70.24 ? 522 BMA A C2 1 HETATM 3030 C C3 . BMA G 4 . ? -15.921 5.809 38.910 1.00 70.62 ? 522 BMA A C3 1 HETATM 3031 C C4 . BMA G 4 . ? -16.390 6.637 37.717 1.00 70.53 ? 522 BMA A C4 1 HETATM 3032 C C5 . BMA G 4 . ? -15.720 6.160 36.443 1.00 69.62 ? 522 BMA A C5 1 HETATM 3033 C C6 . BMA G 4 . ? -16.154 7.097 35.324 1.00 67.75 ? 522 BMA A C6 1 HETATM 3034 O O2 . BMA G 4 . ? -14.004 7.060 39.702 1.00 69.56 ? 522 BMA A O2 1 HETATM 3035 O O3 . BMA G 4 . ? -16.521 6.286 40.095 1.00 70.93 ? 522 BMA A O3 1 HETATM 3036 O O4 . BMA G 4 . ? -17.774 6.480 37.536 1.00 71.47 ? 522 BMA A O4 1 HETATM 3037 O O5 . BMA G 4 . ? -14.298 6.154 36.555 1.00 70.62 ? 522 BMA A O5 1 HETATM 3038 O O6 . BMA G 4 . ? -15.246 6.953 34.264 1.00 66.38 ? 522 BMA A O6 1 HETATM 3039 C C1 . MAN H 5 . ? -17.515 5.376 40.637 1.00 71.67 ? 523 MAN A C1 1 HETATM 3040 C C2 . MAN H 5 . ? -18.042 6.057 41.918 1.00 71.82 ? 523 MAN A C2 1 HETATM 3041 C C3 . MAN H 5 . ? -16.980 5.913 43.028 1.00 71.51 ? 523 MAN A C3 1 HETATM 3042 C C4 . MAN H 5 . ? -16.463 4.473 43.170 1.00 71.52 ? 523 MAN A C4 1 HETATM 3043 C C5 . MAN H 5 . ? -15.984 3.959 41.807 1.00 71.53 ? 523 MAN A C5 1 HETATM 3044 C C6 . MAN H 5 . ? -15.383 2.553 41.853 1.00 71.77 ? 523 MAN A C6 1 HETATM 3045 O O2 . MAN H 5 . ? -19.352 5.651 42.311 1.00 71.05 ? 523 MAN A O2 1 HETATM 3046 O O3 . MAN H 5 . ? -17.448 6.436 44.245 1.00 69.85 ? 523 MAN A O3 1 HETATM 3047 O O4 . MAN H 5 . ? -15.391 4.428 44.081 1.00 71.46 ? 523 MAN A O4 1 HETATM 3048 O O5 . MAN H 5 . ? -17.049 4.041 40.866 1.00 71.40 ? 523 MAN A O5 1 HETATM 3049 O O6 . MAN H 5 . ? -14.088 2.570 41.286 1.00 69.86 ? 523 MAN A O6 1 HETATM 3050 C C1 . MAN I 5 . ? -15.629 7.813 33.191 1.00 66.08 ? 524 MAN A C1 1 HETATM 3051 C C2 . MAN I 5 . ? -15.028 7.256 31.897 1.00 66.72 ? 524 MAN A C2 1 HETATM 3052 C C3 . MAN I 5 . ? -13.510 7.391 31.950 1.00 67.39 ? 524 MAN A C3 1 HETATM 3053 C C4 . MAN I 5 . ? -13.114 8.854 32.194 1.00 68.12 ? 524 MAN A C4 1 HETATM 3054 C C5 . MAN I 5 . ? -13.872 9.469 33.390 1.00 67.88 ? 524 MAN A C5 1 HETATM 3055 C C6 . MAN I 5 . ? -13.751 10.986 33.352 1.00 69.04 ? 524 MAN A C6 1 HETATM 3056 O O2 . MAN I 5 . ? -15.572 7.896 30.752 1.00 65.42 ? 524 MAN A O2 1 HETATM 3057 O O3 . MAN I 5 . ? -12.964 6.896 30.753 1.00 69.20 ? 524 MAN A O3 1 HETATM 3058 O O4 . MAN I 5 . ? -11.720 8.968 32.412 1.00 67.07 ? 524 MAN A O4 1 HETATM 3059 O O5 . MAN I 5 . ? -15.261 9.154 33.436 1.00 65.73 ? 524 MAN A O5 1 HETATM 3060 O O6 . MAN I 5 . ? -14.969 11.556 33.787 1.00 70.49 ? 524 MAN A O6 1 HETATM 3061 C C46 . XPX J 6 . ? 11.821 -2.923 28.018 1.00 54.57 ? 525 XPX A C46 1 HETATM 3062 C C45 . XPX J 6 . ? 11.152 -2.720 29.388 1.00 55.20 ? 525 XPX A C45 1 HETATM 3063 C C44 . XPX J 6 . ? 9.961 -1.729 29.373 1.00 57.23 ? 525 XPX A C44 1 HETATM 3064 C C43 . XPX J 6 . ? 8.920 -1.995 30.513 1.00 55.91 ? 525 XPX A C43 1 HETATM 3065 C C42 . XPX J 6 . ? 7.660 -1.115 30.409 1.00 51.95 ? 525 XPX A C42 1 HETATM 3066 C C41 . XPX J 6 . ? 6.652 -1.760 29.469 1.00 51.66 ? 525 XPX A C41 1 HETATM 3067 C C40 . XPX J 6 . ? 5.452 -0.838 29.195 1.00 51.20 ? 525 XPX A C40 1 HETATM 3068 C C39 . XPX J 6 . ? 4.443 -1.502 28.254 1.00 49.81 ? 525 XPX A C39 1 HETATM 3069 C C38 . XPX J 6 . ? 3.689 -2.674 28.910 1.00 51.83 ? 525 XPX A C38 1 HETATM 3070 C C37 . XPX J 6 . ? 3.344 -3.751 27.859 1.00 53.21 ? 525 XPX A C37 1 HETATM 3071 C C36 . XPX J 6 . ? 2.651 -4.958 28.503 1.00 53.90 ? 525 XPX A C36 1 HETATM 3072 C C35 . XPX J 6 . ? 1.772 -5.724 27.485 1.00 55.14 ? 525 XPX A C35 1 HETATM 3073 C C34 . XPX J 6 . ? 0.803 -6.694 28.187 1.00 55.31 ? 525 XPX A C34 1 HETATM 3074 C C33 . XPX J 6 . ? 1.498 -7.988 28.622 1.00 57.51 ? 525 XPX A C33 1 HETATM 3075 C C32 . XPX J 6 . ? 1.340 -8.225 30.132 1.00 59.70 ? 525 XPX A C32 1 HETATM 3076 C C31 . XPX J 6 . ? 1.142 -9.691 30.495 1.00 59.18 ? 525 XPX A C31 1 HETATM 3077 O O20 . XPX J 6 . ? 1.743 -10.167 31.453 1.00 61.92 ? 525 XPX A O20 1 HETATM 3078 O O19 . XPX J 6 . ? 0.302 -10.490 29.776 1.00 60.73 ? 525 XPX A O19 1 HETATM 3079 C C30 . XPX J 6 . ? 0.292 -11.867 30.314 1.00 59.05 ? 525 XPX A C30 1 HETATM 3080 C C13 . XPX J 6 . ? -1.011 -12.587 30.025 1.00 57.52 ? 525 XPX A C13 1 HETATM 3081 O O17 . XPX J 6 . ? -1.123 -13.094 28.683 1.00 53.41 ? 525 XPX A O17 1 HETATM 3082 C C14 . XPX J 6 . ? -2.010 -12.450 27.877 1.00 52.58 ? 525 XPX A C14 1 HETATM 3083 O O18 . XPX J 6 . ? -2.941 -11.831 28.370 1.00 53.13 ? 525 XPX A O18 1 HETATM 3084 C C15 . XPX J 6 . ? -1.855 -12.501 26.347 1.00 52.18 ? 525 XPX A C15 1 HETATM 3085 C C16 . XPX J 6 . ? -3.023 -11.815 25.611 1.00 50.18 ? 525 XPX A C16 1 HETATM 3086 C C17 . XPX J 6 . ? -2.742 -10.343 25.321 1.00 47.84 ? 525 XPX A C17 1 HETATM 3087 C C18 . XPX J 6 . ? -3.404 -9.887 24.001 1.00 48.85 ? 525 XPX A C18 1 HETATM 3088 C C19 . XPX J 6 . ? -3.801 -8.378 24.014 1.00 47.46 ? 525 XPX A C19 1 HETATM 3089 C C20 . XPX J 6 . ? -3.678 -7.750 22.617 1.00 49.01 ? 525 XPX A C20 1 HETATM 3090 C C21 . XPX J 6 . ? -5.031 -7.385 21.960 1.00 47.88 ? 525 XPX A C21 1 HETATM 3091 C C22 . XPX J 6 . ? -5.166 -8.036 20.576 1.00 44.83 ? 525 XPX A C22 1 HETATM 3092 C C23 . XPX J 6 . ? -5.528 -6.995 19.538 1.00 43.89 ? 525 XPX A C23 1 HETATM 3093 C C24 . XPX J 6 . ? -6.541 -7.561 18.539 1.00 44.19 ? 525 XPX A C24 1 HETATM 3094 C C25 . XPX J 6 . ? -5.899 -7.908 17.191 1.00 44.99 ? 525 XPX A C25 1 HETATM 3095 C C26 . XPX J 6 . ? -6.848 -8.696 16.254 1.00 46.35 ? 525 XPX A C26 1 HETATM 3096 C C27 . XPX J 6 . ? -6.928 -10.211 16.541 1.00 45.88 ? 525 XPX A C27 1 HETATM 3097 C C28 . XPX J 6 . ? -6.700 -11.016 15.246 1.00 47.35 ? 525 XPX A C28 1 HETATM 3098 C C29 . XPX J 6 . ? -7.581 -12.284 15.100 1.00 43.32 ? 525 XPX A C29 1 HETATM 3099 C C12 . XPX J 6 . ? -1.007 -13.800 30.912 1.00 61.17 ? 525 XPX A C12 1 HETATM 3100 O O16 . XPX J 6 . ? -2.067 -14.695 30.529 1.00 65.31 ? 525 XPX A O16 1 HETATM 3101 P P . XPX J 6 . ? -1.928 -16.303 30.514 1.00 66.39 ? 525 XPX A P 1 HETATM 3102 O O14 . XPX J 6 . ? -0.352 -16.566 30.351 1.00 67.53 ? 525 XPX A O14 1 HETATM 3103 O O15 . XPX J 6 . ? -2.752 -16.934 29.455 1.00 67.23 ? 525 XPX A O15 1 HETATM 3104 O O13 . XPX J 6 . ? -2.268 -16.835 31.934 1.00 70.02 ? 525 XPX A O13 1 HETATM 3105 C C47 . XPX J 6 . ? -3.522 -16.574 32.508 1.00 73.50 ? 525 XPX A C47 1 HETATM 3106 C C48 . XPX J 6 . ? -3.323 -15.352 33.439 1.00 75.36 ? 525 XPX A C48 1 HETATM 3107 O O2 . XPX J 6 . ? -1.981 -15.601 34.111 1.00 77.72 ? 525 XPX A O2 1 HETATM 3108 C C7 . XPX J 6 . ? -1.530 -15.001 35.368 1.00 79.23 ? 525 XPX A C7 1 HETATM 3109 O O7 . XPX J 6 . ? -0.160 -15.425 35.601 1.00 79.80 ? 525 XPX A O7 1 HETATM 3110 C C6 . XPX J 6 . ? 0.854 -14.825 34.712 1.00 81.77 ? 525 XPX A C6 1 HETATM 3111 C C11 . XPX J 6 . ? 2.266 -15.141 35.284 1.00 82.06 ? 525 XPX A C11 1 HETATM 3112 O O12 . XPX J 6 . ? 2.435 -16.550 35.473 1.00 82.14 ? 525 XPX A O12 1 HETATM 3113 C C10 . XPX J 6 . ? 0.753 -13.275 34.529 1.00 82.33 ? 525 XPX A C10 1 HETATM 3114 O O11 . XPX J 6 . ? 1.510 -12.787 33.386 1.00 83.79 ? 525 XPX A O11 1 HETATM 3115 C C9 . XPX J 6 . ? -0.703 -12.790 34.423 1.00 80.90 ? 525 XPX A C9 1 HETATM 3116 O O10 . XPX J 6 . ? -0.744 -11.376 34.619 1.00 81.06 ? 525 XPX A O10 1 HETATM 3117 C C8 . XPX J 6 . ? -1.603 -13.464 35.459 1.00 80.28 ? 525 XPX A C8 1 HETATM 3118 O O9 . XPX J 6 . ? -1.258 -13.043 36.788 1.00 79.53 ? 525 XPX A O9 1 HETATM 3119 C C49 . XPX J 6 . ? -4.698 -15.101 34.135 1.00 74.80 ? 525 XPX A C49 1 HETATM 3120 O O21 . XPX J 6 . ? -4.673 -13.986 35.022 1.00 73.40 ? 525 XPX A O21 1 HETATM 3121 C C50 . XPX J 6 . ? -5.236 -16.342 34.863 1.00 75.45 ? 525 XPX A C50 1 HETATM 3122 O O22 . XPX J 6 . ? -6.549 -16.041 35.326 1.00 76.03 ? 525 XPX A O22 1 HETATM 3123 C C51 . XPX J 6 . ? -5.319 -17.552 33.910 1.00 75.83 ? 525 XPX A C51 1 HETATM 3124 O O23 . XPX J 6 . ? -5.810 -18.720 34.586 1.00 76.42 ? 525 XPX A O23 1 HETATM 3125 C C52 . XPX J 6 . ? -3.969 -17.856 33.249 1.00 74.90 ? 525 XPX A C52 1 HETATM 3126 O O1 . XPX J 6 . ? -4.214 -18.976 32.354 1.00 75.57 ? 525 XPX A O1 1 HETATM 3127 C C1 . XPX J 6 . ? -3.197 -20.030 32.260 1.00 75.39 ? 525 XPX A C1 1 HETATM 3128 O O . XPX J 6 . ? -3.514 -21.232 33.008 1.00 75.37 ? 525 XPX A O 1 HETATM 3129 C C . XPX J 6 . ? -4.698 -21.992 32.586 1.00 75.43 ? 525 XPX A C 1 HETATM 3130 C C5 . XPX J 6 . ? -4.436 -23.420 33.073 1.00 75.32 ? 525 XPX A C5 1 HETATM 3131 O O6 . XPX J 6 . ? -5.291 -23.694 34.187 1.00 75.33 ? 525 XPX A O6 1 HETATM 3132 C C4 . XPX J 6 . ? -5.067 -22.038 31.071 1.00 75.61 ? 525 XPX A C4 1 HETATM 3133 O O5 . XPX J 6 . ? -6.504 -21.972 30.922 1.00 75.48 ? 525 XPX A O5 1 HETATM 3134 C C3 . XPX J 6 . ? -4.409 -20.906 30.220 1.00 75.67 ? 525 XPX A C3 1 HETATM 3135 O O4 . XPX J 6 . ? -4.331 -21.268 28.823 1.00 74.03 ? 525 XPX A O4 1 HETATM 3136 C C2 . XPX J 6 . ? -3.036 -20.442 30.782 1.00 75.41 ? 525 XPX A C2 1 HETATM 3137 O O3 . XPX J 6 . ? -2.040 -21.477 30.677 1.00 75.04 ? 525 XPX A O3 1 HETATM 3138 O O . HOH K 7 . ? 21.884 15.298 22.561 1.00 30.42 ? 526 HOH A O 1 HETATM 3139 O O . HOH K 7 . ? -14.504 -1.869 24.003 1.00 22.54 ? 527 HOH A O 1 HETATM 3140 O O . HOH K 7 . ? 18.855 7.754 14.910 1.00 30.44 ? 528 HOH A O 1 HETATM 3141 O O . HOH K 7 . ? 16.861 -10.830 20.462 1.00 35.55 ? 529 HOH A O 1 HETATM 3142 O O . HOH K 7 . ? -17.704 -9.302 18.782 1.00 35.20 ? 530 HOH A O 1 HETATM 3143 O O . HOH K 7 . ? 24.889 5.470 7.701 1.00 34.82 ? 531 HOH A O 1 HETATM 3144 O O . HOH K 7 . ? -10.626 -13.148 24.313 1.00 42.41 ? 532 HOH A O 1 HETATM 3145 O O . HOH K 7 . ? 8.795 -16.571 25.203 1.00 34.28 ? 533 HOH A O 1 HETATM 3146 O O . HOH K 7 . ? 7.297 -23.017 20.481 1.00 56.72 ? 534 HOH A O 1 HETATM 3147 O O . HOH K 7 . ? 11.917 33.872 -1.105 1.00 35.95 ? 535 HOH A O 1 HETATM 3148 O O . HOH K 7 . ? -10.872 2.948 13.473 1.00 40.09 ? 536 HOH A O 1 HETATM 3149 O O . HOH K 7 . ? 19.401 3.578 17.642 1.00 35.34 ? 537 HOH A O 1 HETATM 3150 O O . HOH K 7 . ? 12.580 -18.451 16.387 1.00 46.08 ? 538 HOH A O 1 HETATM 3151 O O . HOH K 7 . ? -15.632 -3.491 22.892 1.00 29.09 ? 539 HOH A O 1 HETATM 3152 O O . HOH K 7 . ? -8.478 3.535 13.734 1.00 25.28 ? 540 HOH A O 1 HETATM 3153 O O . HOH K 7 . ? -3.559 5.070 31.438 1.00 50.13 ? 541 HOH A O 1 HETATM 3154 O O . HOH K 7 . ? -6.056 -13.455 28.976 1.00 34.14 ? 542 HOH A O 1 HETATM 3155 O O . HOH K 7 . ? -17.385 -11.880 17.937 1.00 40.39 ? 543 HOH A O 1 HETATM 3156 O O . HOH K 7 . ? 14.979 15.931 -1.038 1.00 36.15 ? 544 HOH A O 1 HETATM 3157 O O . HOH K 7 . ? 24.729 26.770 14.398 1.00 34.00 ? 545 HOH A O 1 HETATM 3158 O O . HOH K 7 . ? 16.057 14.921 3.380 1.00 46.04 ? 546 HOH A O 1 HETATM 3159 O O . HOH K 7 . ? -18.242 1.731 15.586 1.00 33.28 ? 547 HOH A O 1 HETATM 3160 O O . HOH K 7 . ? -4.580 7.161 30.976 1.00 47.31 ? 548 HOH A O 1 HETATM 3161 O O . HOH K 7 . ? 12.095 9.315 6.920 1.00 38.14 ? 549 HOH A O 1 HETATM 3162 O O . HOH K 7 . ? -10.487 -14.041 30.028 1.00 27.87 ? 550 HOH A O 1 HETATM 3163 O O . HOH K 7 . ? 14.863 24.641 8.092 1.00 37.19 ? 551 HOH A O 1 HETATM 3164 O O . HOH K 7 . ? -15.476 -8.642 30.795 1.00 48.69 ? 552 HOH A O 1 HETATM 3165 O O . HOH K 7 . ? 10.222 -11.296 20.308 1.00 47.03 ? 553 HOH A O 1 HETATM 3166 O O . HOH K 7 . ? 26.769 34.585 3.487 1.00 36.38 ? 554 HOH A O 1 HETATM 3167 O O . HOH K 7 . ? 19.744 -8.142 41.701 1.00 42.67 ? 555 HOH A O 1 HETATM 3168 O O . HOH K 7 . ? 1.341 -10.838 5.551 1.00 39.25 ? 556 HOH A O 1 HETATM 3169 O O . HOH K 7 . ? 7.958 -9.641 21.751 1.00 40.43 ? 557 HOH A O 1 HETATM 3170 O O . HOH L 7 . ? 15.698 -7.992 3.699 1.00 45.09 ? 100 HOH B O 1 HETATM 3171 O O . HOH L 7 . ? 24.712 -4.023 11.492 1.00 35.22 ? 101 HOH B O 1 HETATM 3172 O O . HOH L 7 . ? 30.763 13.089 6.708 1.00 24.20 ? 102 HOH B O 1 HETATM 3173 O O . HOH L 7 . ? 33.528 9.226 -0.861 1.00 35.48 ? 103 HOH B O 1 HETATM 3174 O O . HOH L 7 . ? 33.181 14.464 6.248 1.00 34.10 ? 104 HOH B O 1 HETATM 3175 O O . HOH L 7 . ? 10.450 5.219 -4.024 1.00 40.91 ? 105 HOH B O 1 HETATM 3176 O O . HOH L 7 . ? 25.732 13.546 -2.527 1.00 38.17 ? 106 HOH B O 1 HETATM 3177 O O . HOH L 7 . ? 7.046 7.934 13.419 1.00 43.89 ? 107 HOH B O 1 HETATM 3178 O O . HOH L 7 . ? 12.343 5.808 2.219 1.00 27.91 ? 108 HOH B O 1 HETATM 3179 O O . HOH L 7 . ? 20.644 9.110 -4.427 1.00 43.41 ? 109 HOH B O 1 HETATM 3180 O O . HOH L 7 . ? 0.767 -7.352 -6.337 1.00 51.35 ? 110 HOH B O 1 HETATM 3181 O O . HOH L 7 . ? 21.532 -0.470 8.725 1.00 46.75 ? 111 HOH B O 1 HETATM 3182 O O . HOH L 7 . ? 33.985 10.332 1.613 1.00 33.21 ? 112 HOH B O 1 # 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 SER 1 1 ? ? ? A . n A 1 2 GLU 2 2 ? ? ? A . n A 1 3 ALA 3 3 ? ? ? A . n A 1 4 GLN 4 4 ? ? ? A . n A 1 5 GLN 5 5 ? ? ? A . n A 1 6 LYS 6 6 ? ? ? A . n A 1 7 ASN 7 7 7 ASN ASN A . n A 1 8 TYR 8 8 8 TYR TYR A . n A 1 9 THR 9 9 9 THR THR A . n A 1 10 PHE 10 10 10 PHE PHE A . n A 1 11 ARG 11 11 11 ARG ARG A . n A 1 12 CYS 12 12 12 CYS CYS A . n A 1 13 LEU 13 13 13 LEU LEU A . n A 1 14 GLN 14 14 14 GLN GLN A . n A 1 15 MET 15 15 15 MET MET A . n A 1 16 SER 16 16 16 SER SER A . n A 1 17 SER 17 17 17 SER SER A . n A 1 18 PHE 18 18 18 PHE PHE A . n A 1 19 ALA 19 19 19 ALA ALA A . n A 1 20 ASN 20 20 20 ASN ASN A . n A 1 21 ARG 21 21 21 ARG ARG A . n A 1 22 SER 22 22 22 SER SER A . n A 1 23 TRP 23 23 23 TRP TRP A . n A 1 24 SER 24 24 24 SER SER A . n A 1 25 ARG 25 25 25 ARG ARG A . n A 1 26 THR 26 26 26 THR THR A . n A 1 27 ASP 27 27 27 ASP ASP A . n A 1 28 SER 28 28 28 SER SER A . n A 1 29 VAL 29 29 29 VAL VAL A . n A 1 30 VAL 30 30 30 VAL VAL A . n A 1 31 TRP 31 31 31 TRP TRP A . n A 1 32 LEU 32 32 32 LEU LEU A . n A 1 33 GLY 33 33 33 GLY GLY A . n A 1 34 ASP 34 34 34 ASP ASP A . n A 1 35 LEU 35 35 35 LEU LEU A . n A 1 36 GLN 36 36 36 GLN GLN A . n A 1 37 THR 37 37 37 THR THR A . n A 1 38 HIS 38 38 38 HIS HIS A . n A 1 39 ARG 39 39 39 ARG ARG A . n A 1 40 TRP 40 40 40 TRP TRP A . n A 1 41 SER 41 41 41 SER SER A . n A 1 42 ASN 42 42 42 ASN ASN A . n A 1 43 ASP 43 43 43 ASP ASP A . n A 1 44 SER 44 44 44 SER SER A . n A 1 45 ALA 45 45 45 ALA ALA A . n A 1 46 THR 46 46 46 THR THR A . n A 1 47 ILE 47 47 47 ILE ILE A . n A 1 48 SER 48 48 48 SER SER A . n A 1 49 PHE 49 49 49 PHE PHE A . n A 1 50 THR 50 50 50 THR THR A . n A 1 51 LYS 51 51 51 LYS LYS A . n A 1 52 PRO 52 52 52 PRO PRO A . n A 1 53 TRP 53 53 53 TRP TRP A . n A 1 54 SER 54 54 54 SER SER A . n A 1 55 GLN 55 55 55 GLN GLN A . n A 1 56 GLY 56 56 56 GLY GLY A . n A 1 57 LYS 57 57 57 LYS LYS A . n A 1 58 LEU 58 58 58 LEU LEU A . n A 1 59 SER 59 59 59 SER SER A . n A 1 60 ASN 60 60 60 ASN ASN A . n A 1 61 GLN 61 61 61 GLN GLN A . n A 1 62 GLN 62 62 62 GLN GLN A . n A 1 63 TRP 63 63 63 TRP TRP A . n A 1 64 GLU 64 64 64 GLU GLU A . n A 1 65 LYS 65 65 65 LYS LYS A . n A 1 66 LEU 66 66 66 LEU LEU A . n A 1 67 GLN 67 67 67 GLN GLN A . n A 1 68 HIS 68 68 68 HIS HIS A . n A 1 69 MET 69 69 69 MET MET A . n A 1 70 PHE 70 70 70 PHE PHE A . n A 1 71 GLN 71 71 71 GLN GLN A . n A 1 72 VAL 72 72 72 VAL VAL A . n A 1 73 TYR 73 73 73 TYR TYR A . n A 1 74 ARG 74 74 74 ARG ARG A . n A 1 75 VAL 75 75 75 VAL VAL A . n A 1 76 SER 76 76 76 SER SER A . n A 1 77 PHE 77 77 77 PHE PHE A . n A 1 78 THR 78 78 78 THR THR A . n A 1 79 ARG 79 79 79 ARG ARG A . n A 1 80 ASP 80 80 80 ASP ASP A . n A 1 81 ILE 81 81 81 ILE ILE A . n A 1 82 GLN 82 82 82 GLN GLN A . n A 1 83 GLU 83 83 83 GLU GLU 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 LYS 86 86 86 LYS LYS A . n A 1 87 MET 87 87 87 MET MET A . n A 1 88 MET 88 88 88 MET MET A . n A 1 89 SER 89 89 ? ? ? A . n A 1 90 PRO 90 90 ? ? ? A . n A 1 91 LYS 91 91 ? ? ? A . n A 1 92 GLU 92 92 ? ? ? A . n A 1 93 ASP 93 93 93 ASP ASP A . n A 1 94 TYR 94 94 94 TYR TYR A . n A 1 95 PRO 95 95 95 PRO PRO A . n A 1 96 ILE 96 96 96 ILE ILE A . n A 1 97 GLU 97 97 97 GLU GLU A . n A 1 98 ILE 98 98 98 ILE ILE A . n A 1 99 GLN 99 99 99 GLN GLN A . n A 1 100 LEU 100 100 100 LEU LEU A . n A 1 101 SER 101 101 101 SER SER A . n A 1 102 ALA 102 102 102 ALA ALA A . n A 1 103 GLY 103 103 103 GLY GLY A . n A 1 104 CYS 104 104 104 CYS CYS A . n A 1 105 GLU 105 105 105 GLU GLU A . n A 1 106 MET 106 106 106 MET MET A . n A 1 107 TYR 107 107 107 TYR TYR A . n A 1 108 PRO 108 108 108 PRO PRO A . n A 1 109 GLY 109 109 109 GLY GLY A . n A 1 110 ASN 110 110 110 ASN ASN A . n A 1 111 ALA 111 111 111 ALA ALA A . n A 1 112 SER 112 112 112 SER SER A . n A 1 113 GLU 113 113 113 GLU GLU A . n A 1 114 SER 114 114 114 SER SER A . n A 1 115 PHE 115 115 115 PHE PHE A . n A 1 116 LEU 116 116 116 LEU LEU A . n A 1 117 HIS 117 117 117 HIS HIS A . n A 1 118 VAL 118 118 118 VAL VAL A . n A 1 119 ALA 119 119 119 ALA ALA A . n A 1 120 PHE 120 120 120 PHE PHE A . n A 1 121 GLN 121 121 121 GLN GLN A . n A 1 122 GLY 122 122 122 GLY GLY A . n A 1 123 LYS 123 123 123 LYS LYS A . n A 1 124 TYR 124 124 124 TYR TYR A . n A 1 125 VAL 125 125 125 VAL VAL A . n A 1 126 VAL 126 126 126 VAL VAL A . n A 1 127 ARG 127 127 127 ARG ARG A . n A 1 128 PHE 128 128 128 PHE PHE A . n A 1 129 TRP 129 129 129 TRP TRP A . n A 1 130 GLY 130 130 130 GLY GLY A . n A 1 131 THR 131 131 131 THR THR A . n A 1 132 SER 132 132 132 SER SER A . n A 1 133 TRP 133 133 133 TRP TRP A . n A 1 134 GLN 134 134 134 GLN GLN A . n A 1 135 THR 135 135 135 THR THR A . n A 1 136 VAL 136 136 136 VAL VAL A . n A 1 137 PRO 137 137 137 PRO PRO A . n A 1 138 GLY 138 138 138 GLY GLY A . n A 1 139 ALA 139 139 139 ALA ALA A . n A 1 140 PRO 140 140 140 PRO PRO A . n A 1 141 SER 141 141 141 SER SER A . n A 1 142 TRP 142 142 142 TRP TRP A . n A 1 143 LEU 143 143 143 LEU LEU A . n A 1 144 ASP 144 144 144 ASP ASP A . n A 1 145 LEU 145 145 145 LEU LEU A . n A 1 146 PRO 146 146 146 PRO PRO A . n A 1 147 ILE 147 147 147 ILE ILE A . n A 1 148 LYS 148 148 148 LYS LYS A . n A 1 149 VAL 149 149 149 VAL VAL A . n A 1 150 LEU 150 150 150 LEU LEU A . n A 1 151 ASN 151 151 151 ASN ASN A . n A 1 152 ALA 152 152 152 ALA ALA A . n A 1 153 ASP 153 153 153 ASP ASP A . n A 1 154 GLN 154 154 154 GLN GLN A . n A 1 155 GLY 155 155 155 GLY GLY A . n A 1 156 THR 156 156 156 THR THR A . n A 1 157 SER 157 157 157 SER SER A . n A 1 158 ALA 158 158 158 ALA ALA A . n A 1 159 THR 159 159 159 THR THR A . n A 1 160 VAL 160 160 160 VAL VAL A . n A 1 161 GLN 161 161 161 GLN GLN A . n A 1 162 MET 162 162 162 MET MET A . n A 1 163 LEU 163 163 163 LEU LEU A . n A 1 164 LEU 164 164 164 LEU LEU A . n A 1 165 ASN 165 165 165 ASN ASN A . n A 1 166 ASP 166 166 166 ASP ASP A . n A 1 167 THR 167 167 167 THR THR A . n A 1 168 CYS 168 168 168 CYS CYS A . n A 1 169 PRO 169 169 169 PRO PRO A . n A 1 170 LEU 170 170 170 LEU LEU A . n A 1 171 PHE 171 171 171 PHE PHE A . n A 1 172 VAL 172 172 172 VAL VAL A . n A 1 173 ARG 173 173 173 ARG ARG A . n A 1 174 GLY 174 174 174 GLY GLY A . n A 1 175 LEU 175 175 175 LEU LEU A . n A 1 176 LEU 176 176 176 LEU LEU A . n A 1 177 GLU 177 177 177 GLU GLU A . n A 1 178 ALA 178 178 178 ALA ALA A . n A 1 179 GLY 179 179 179 GLY GLY A . n A 1 180 LYS 180 180 180 LYS LYS A . n A 1 181 SER 181 181 181 SER SER A . n A 1 182 ASP 182 182 182 ASP ASP A . n A 1 183 LEU 183 183 183 LEU LEU A . n A 1 184 GLU 184 184 184 GLU GLU A . n A 1 185 LYS 185 185 185 LYS LYS A . n A 1 186 GLN 186 186 186 GLN GLN A . n A 1 187 GLU 187 187 187 GLU GLU A . n A 1 188 LYS 188 188 188 LYS LYS A . n A 1 189 PRO 189 189 189 PRO PRO A . n A 1 190 VAL 190 190 190 VAL VAL A . n A 1 191 ALA 191 191 191 ALA ALA A . n A 1 192 TRP 192 192 192 TRP TRP A . n A 1 193 LEU 193 193 193 LEU LEU A . n A 1 194 SER 194 194 194 SER SER A . n A 1 195 SER 195 195 195 SER SER A . n A 1 196 VAL 196 196 196 VAL VAL A . n A 1 197 PRO 197 197 197 PRO PRO A . n A 1 198 SER 198 198 198 SER SER A . n A 1 199 SER 199 199 199 SER SER A . n A 1 200 ALA 200 200 200 ALA ALA A . n A 1 201 HIS 201 201 201 HIS HIS A . n A 1 202 GLY 202 202 202 GLY GLY A . n A 1 203 HIS 203 203 203 HIS HIS A . n A 1 204 ARG 204 204 204 ARG ARG A . n A 1 205 GLN 205 205 205 GLN GLN A . n A 1 206 LEU 206 206 206 LEU LEU A . n A 1 207 VAL 207 207 207 VAL VAL A . n A 1 208 CYS 208 208 208 CYS CYS A . n A 1 209 HIS 209 209 209 HIS HIS A . n A 1 210 VAL 210 210 210 VAL VAL A . n A 1 211 SER 211 211 211 SER SER A . n A 1 212 GLY 212 212 212 GLY GLY A . n A 1 213 PHE 213 213 213 PHE PHE A . n A 1 214 TYR 214 214 214 TYR TYR A . n A 1 215 PRO 215 215 215 PRO PRO A . n A 1 216 LYS 216 216 216 LYS LYS A . n A 1 217 PRO 217 217 217 PRO PRO A . n A 1 218 VAL 218 218 218 VAL VAL A . n A 1 219 TRP 219 219 219 TRP TRP A . n A 1 220 VAL 220 220 220 VAL VAL A . n A 1 221 MET 221 221 221 MET MET A . n A 1 222 TRP 222 222 222 TRP TRP A . n A 1 223 MET 223 223 223 MET MET A . n A 1 224 ARG 224 224 224 ARG ARG A . n A 1 225 GLY 225 225 225 GLY GLY A . n A 1 226 ASP 226 226 226 ASP ASP A . n A 1 227 GLN 227 227 227 GLN GLN A . n A 1 228 GLU 228 228 228 GLU GLU A . n A 1 229 GLN 229 229 229 GLN GLN A . n A 1 230 GLN 230 230 230 GLN GLN A . n A 1 231 GLY 231 231 231 GLY GLY A . n A 1 232 THR 232 232 232 THR THR A . n A 1 233 HIS 233 233 233 HIS HIS A . n A 1 234 ARG 234 234 234 ARG ARG A . n A 1 235 GLY 235 235 235 GLY GLY A . n A 1 236 ASP 236 236 236 ASP ASP A . n A 1 237 PHE 237 237 237 PHE PHE A . n A 1 238 LEU 238 238 238 LEU LEU A . n A 1 239 PRO 239 239 239 PRO PRO A . n A 1 240 ASN 240 240 240 ASN ASN A . n A 1 241 ALA 241 241 241 ALA ALA A . n A 1 242 ASP 242 242 242 ASP ASP A . n A 1 243 GLU 243 243 243 GLU GLU A . n A 1 244 THR 244 244 244 THR THR A . n A 1 245 TRP 245 245 245 TRP TRP A . n A 1 246 TYR 246 246 246 TYR TYR A . n A 1 247 LEU 247 247 247 LEU LEU A . n A 1 248 GLN 248 248 248 GLN GLN A . n A 1 249 ALA 249 249 249 ALA ALA A . n A 1 250 THR 250 250 250 THR THR A . n A 1 251 LEU 251 251 251 LEU LEU A . n A 1 252 ASP 252 252 252 ASP ASP A . n A 1 253 VAL 253 253 253 VAL VAL A . n A 1 254 GLU 254 254 254 GLU GLU A . n A 1 255 ALA 255 255 255 ALA ALA A . n A 1 256 GLY 256 256 256 GLY GLY A . n A 1 257 GLU 257 257 257 GLU GLU A . n A 1 258 GLU 258 258 258 GLU GLU A . n A 1 259 ALA 259 259 259 ALA ALA A . n A 1 260 GLY 260 260 260 GLY GLY A . n A 1 261 LEU 261 261 261 LEU LEU A . n A 1 262 ALA 262 262 262 ALA ALA A . n A 1 263 CYS 263 263 263 CYS CYS A . n A 1 264 ARG 264 264 264 ARG ARG A . n A 1 265 VAL 265 265 265 VAL VAL A . n A 1 266 LYS 266 266 266 LYS LYS A . n A 1 267 HIS 267 267 267 HIS HIS A . n A 1 268 SER 268 268 268 SER SER A . n A 1 269 SER 269 269 269 SER SER A . n A 1 270 LEU 270 270 270 LEU LEU A . n A 1 271 GLY 271 271 271 GLY GLY A . n A 1 272 GLY 272 272 272 GLY GLY A . n A 1 273 GLN 273 273 273 GLN GLN A . n A 1 274 ASP 274 274 274 ASP ASP A . n A 1 275 ILE 275 275 275 ILE ILE A . n A 1 276 ILE 276 276 276 ILE ILE A . n A 1 277 LEU 277 277 277 LEU LEU A . n A 1 278 TYR 278 278 278 TYR TYR A . n A 1 279 TRP 279 279 279 TRP TRP A . n A 1 280 HIS 280 280 ? ? ? A . n A 1 281 HIS 281 281 ? ? ? A . n A 1 282 HIS 282 282 ? ? ? A . n A 1 283 HIS 283 283 ? ? ? A . n A 1 284 HIS 284 284 ? ? ? A . n A 1 285 HIS 285 285 ? ? ? A . n B 2 1 ILE 1 1 ? ? ? B . n B 2 2 GLN 2 2 2 GLN GLN B . n B 2 3 LYS 3 3 3 LYS LYS B . n B 2 4 THR 4 4 4 THR THR B . n B 2 5 PRO 5 5 5 PRO PRO B . n B 2 6 GLN 6 6 6 GLN GLN B . n B 2 7 ILE 7 7 7 ILE ILE B . n B 2 8 GLN 8 8 8 GLN GLN B . n B 2 9 VAL 9 9 9 VAL VAL B . n B 2 10 TYR 10 10 10 TYR TYR B . n B 2 11 SER 11 11 11 SER SER B . n B 2 12 ARG 12 12 12 ARG ARG B . n B 2 13 HIS 13 13 13 HIS HIS B . n B 2 14 PRO 14 14 14 PRO PRO B . n B 2 15 PRO 15 15 15 PRO PRO B . n B 2 16 GLU 16 16 16 GLU GLU B . n B 2 17 ASN 17 17 17 ASN ASN B . n B 2 18 GLY 18 18 18 GLY GLY B . n B 2 19 LYS 19 19 19 LYS LYS B . n B 2 20 PRO 20 20 20 PRO PRO B . n B 2 21 ASN 21 21 21 ASN ASN B . n B 2 22 ILE 22 22 22 ILE ILE B . n B 2 23 LEU 23 23 23 LEU LEU B . n B 2 24 ASN 24 24 24 ASN ASN B . n B 2 25 CYS 25 25 25 CYS CYS B . n B 2 26 TYR 26 26 26 TYR TYR B . n B 2 27 VAL 27 27 27 VAL VAL B . n B 2 28 THR 28 28 28 THR THR B . n B 2 29 GLN 29 29 29 GLN GLN B . n B 2 30 PHE 30 30 30 PHE PHE B . n B 2 31 HIS 31 31 31 HIS HIS B . n B 2 32 PRO 32 32 32 PRO PRO B . n B 2 33 PRO 33 33 33 PRO PRO B . n B 2 34 HIS 34 34 34 HIS HIS B . n B 2 35 ILE 35 35 35 ILE ILE B . n B 2 36 GLU 36 36 36 GLU GLU B . n B 2 37 ILE 37 37 37 ILE ILE B . n B 2 38 GLN 38 38 38 GLN GLN B . n B 2 39 MET 39 39 39 MET MET B . n B 2 40 LEU 40 40 40 LEU LEU B . n B 2 41 LYS 41 41 41 LYS LYS B . n B 2 42 ASN 42 42 42 ASN ASN B . n B 2 43 GLY 43 43 43 GLY GLY B . n B 2 44 LYS 44 44 44 LYS LYS B . n B 2 45 LYS 45 45 45 LYS LYS B . n B 2 46 ILE 46 46 46 ILE ILE B . n B 2 47 PRO 47 47 47 PRO PRO B . n B 2 48 LYS 48 48 48 LYS LYS B . n B 2 49 VAL 49 49 49 VAL VAL B . n B 2 50 GLU 50 50 50 GLU GLU B . n B 2 51 MET 51 51 51 MET MET B . n B 2 52 SER 52 52 52 SER SER B . n B 2 53 ASP 53 53 53 ASP ASP B . n B 2 54 MET 54 54 54 MET MET B . n B 2 55 SER 55 55 55 SER SER B . n B 2 56 PHE 56 56 56 PHE PHE B . n B 2 57 SER 57 57 57 SER SER B . n B 2 58 LYS 58 58 58 LYS LYS B . n B 2 59 ASP 59 59 59 ASP ASP B . n B 2 60 TRP 60 60 60 TRP TRP B . n B 2 61 SER 61 61 61 SER SER B . n B 2 62 PHE 62 62 62 PHE PHE B . n B 2 63 TYR 63 63 63 TYR TYR B . n B 2 64 ILE 64 64 64 ILE ILE B . n B 2 65 LEU 65 65 65 LEU LEU B . n B 2 66 ALA 66 66 66 ALA ALA B . n B 2 67 HIS 67 67 67 HIS HIS B . n B 2 68 THR 68 68 68 THR THR B . n B 2 69 GLU 69 69 69 GLU GLU B . n B 2 70 PHE 70 70 70 PHE PHE B . n B 2 71 THR 71 71 71 THR THR B . n B 2 72 PRO 72 72 72 PRO PRO B . n B 2 73 THR 73 73 73 THR THR B . n B 2 74 GLU 74 74 74 GLU GLU B . n B 2 75 THR 75 75 75 THR THR B . n B 2 76 ASP 76 76 76 ASP ASP B . n B 2 77 THR 77 77 77 THR THR B . n B 2 78 TYR 78 78 78 TYR TYR B . n B 2 79 ALA 79 79 79 ALA ALA B . n B 2 80 CYS 80 80 80 CYS CYS B . n B 2 81 ARG 81 81 81 ARG ARG B . n B 2 82 VAL 82 82 82 VAL VAL B . n B 2 83 LYS 83 83 83 LYS LYS B . n B 2 84 HIS 84 84 84 HIS HIS B . n B 2 85 ALA 85 85 85 ALA ALA B . n B 2 86 SER 86 86 86 SER SER B . n B 2 87 MET 87 87 87 MET MET B . n B 2 88 ALA 88 88 88 ALA ALA B . n B 2 89 GLU 89 89 89 GLU GLU B . n B 2 90 PRO 90 90 90 PRO PRO B . n B 2 91 LYS 91 91 91 LYS LYS B . n B 2 92 THR 92 92 92 THR THR B . n B 2 93 VAL 93 93 93 VAL VAL B . n B 2 94 TYR 94 94 94 TYR TYR B . n B 2 95 TRP 95 95 95 TRP TRP B . n B 2 96 ASP 96 96 96 ASP ASP B . n B 2 97 ARG 97 97 97 ARG ARG B . n B 2 98 ASP 98 98 98 ASP ASP B . n B 2 99 MET 99 99 99 MET MET 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 NAG 1 501 501 NAG NAG A . D 3 NAG 1 510 510 NAG NAG A . E 3 NAG 1 520 520 NAG NAG A . F 3 NAG 2 521 521 NAG NAG A . G 4 BMA 3 522 522 BMA MAN A . H 5 MAN 4 523 523 MAN MAN A . I 5 MAN 5 524 524 MAN MAN A . J 6 XPX 1 525 1 XPX XPX A . K 7 HOH 1 526 1 HOH HOH A . K 7 HOH 2 527 2 HOH HOH A . K 7 HOH 3 528 5 HOH HOH A . K 7 HOH 4 529 6 HOH HOH A . K 7 HOH 5 530 7 HOH HOH A . K 7 HOH 6 531 10 HOH HOH A . K 7 HOH 7 532 11 HOH HOH A . K 7 HOH 8 533 12 HOH HOH A . K 7 HOH 9 534 14 HOH HOH A . K 7 HOH 10 535 15 HOH HOH A . K 7 HOH 11 536 16 HOH HOH A . K 7 HOH 12 537 19 HOH HOH A . K 7 HOH 13 538 20 HOH HOH A . K 7 HOH 14 539 22 HOH HOH A . K 7 HOH 15 540 24 HOH HOH A . K 7 HOH 16 541 25 HOH HOH A . K 7 HOH 17 542 27 HOH HOH A . K 7 HOH 18 543 29 HOH HOH A . K 7 HOH 19 544 32 HOH HOH A . K 7 HOH 20 545 34 HOH HOH A . K 7 HOH 21 546 36 HOH HOH A . K 7 HOH 22 547 37 HOH HOH A . K 7 HOH 23 548 42 HOH HOH A . K 7 HOH 24 549 43 HOH HOH A . K 7 HOH 25 550 44 HOH HOH A . K 7 HOH 26 551 45 HOH HOH A . K 7 HOH 27 552 46 HOH HOH A . K 7 HOH 28 553 48 HOH HOH A . K 7 HOH 29 554 49 HOH HOH A . K 7 HOH 30 555 50 HOH HOH A . K 7 HOH 31 556 54 HOH HOH A . K 7 HOH 32 557 58 HOH HOH A . L 7 HOH 1 100 3 HOH HOH B . L 7 HOH 2 101 4 HOH HOH B . L 7 HOH 3 102 8 HOH HOH B . L 7 HOH 4 103 9 HOH HOH B . L 7 HOH 5 104 23 HOH HOH B . L 7 HOH 6 105 26 HOH HOH B . L 7 HOH 7 106 28 HOH HOH B . L 7 HOH 8 107 30 HOH HOH B . L 7 HOH 9 108 35 HOH HOH B . L 7 HOH 10 109 38 HOH HOH B . L 7 HOH 11 110 47 HOH HOH B . L 7 HOH 12 111 52 HOH HOH B . L 7 HOH 13 112 59 HOH HOH B . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 20 A ASN 20 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 42 A ASN 42 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 165 A ASN 165 ? ASN 'GLYCOSYLATION SITE' # _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 # _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,L # 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)' 6060 ? 1 MORE -11 ? 1 'SSA (A^2)' 19650 ? # _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_ _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 2006-09-26 2 'Structure model' 1 1 2008-05-01 3 'Structure model' 1 2 2011-07-13 # _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 ? # 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' 'Version format compliance' 2 3 'Structure model' Advisory 3 3 'Structure model' 'Version format compliance' # loop_ _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] _pdbx_refine_tls.pdbx_refine_id 1 ? refined 3.6268 -4.3647 24.9264 -.0468 -.1181 -.1276 .0185 .0140 .0401 4.0175 .4834 1.6490 .2454 .2569 -.2388 .1098 -.1805 -.1349 .1509 -.0410 .0913 .0810 -.0654 -.0687 'X-RAY DIFFRACTION' 2 ? refined 20.8332 22.4248 2.8707 -.1299 -.1208 -.0980 -.0094 .0163 .0035 2.0637 5.0773 2.5272 -.7503 .1091 -1.9242 .0159 .2623 .2265 -.2060 .0094 .1176 -.1981 .0330 -.0253 'X-RAY DIFFRACTION' 3 ? refined 18.4949 1.0601 .1677 -.0591 -.1189 -.1495 .0144 -.0063 -.0044 3.7753 1.6080 1.9865 1.1344 -1.1590 -.2582 -.1399 .1496 -.1655 -.2202 .1108 -.0401 .0700 -.0125 .0290 'X-RAY DIFFRACTION' # loop_ _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.pdbx_refine_id _pdbx_refine_tls_group.selection_details 1 1 A 7 A 7 A 185 A 185 ? 'X-RAY DIFFRACTION' ? 2 1 A 501 C ? A 524 E ? ? 'X-RAY DIFFRACTION' ? 3 1 A 525 F ? A 525 F ? ? 'X-RAY DIFFRACTION' ? 4 2 A 186 A 186 A 279 A 279 ? 'X-RAY DIFFRACTION' ? 5 3 B 2 B 2 B 99 B 99 ? 'X-RAY DIFFRACTION' ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.2.0019 ? 1 HKL-2000 'data reduction' . ? 2 CCP4 'data scaling' '(TRUNCATE)' ? 3 MOLREP phasing . ? 4 # _pdbx_database_remark.id 999 _pdbx_database_remark.text ;SEQUENCE The residue at position 219 is a His instead of Asp in the reference Bradbury et al., 1988, EMBO, 7, 3081-3086. Authors sequence agrees with the reference ; # _pdbx_validate_rmsd_angle.id 1 _pdbx_validate_rmsd_angle.PDB_model_num 1 _pdbx_validate_rmsd_angle.auth_atom_id_1 C _pdbx_validate_rmsd_angle.auth_asym_id_1 B _pdbx_validate_rmsd_angle.auth_comp_id_1 LYS _pdbx_validate_rmsd_angle.auth_seq_id_1 19 _pdbx_validate_rmsd_angle.PDB_ins_code_1 ? _pdbx_validate_rmsd_angle.label_alt_id_1 ? _pdbx_validate_rmsd_angle.auth_atom_id_2 N _pdbx_validate_rmsd_angle.auth_asym_id_2 B _pdbx_validate_rmsd_angle.auth_comp_id_2 PRO _pdbx_validate_rmsd_angle.auth_seq_id_2 20 _pdbx_validate_rmsd_angle.PDB_ins_code_2 ? _pdbx_validate_rmsd_angle.label_alt_id_2 ? _pdbx_validate_rmsd_angle.auth_atom_id_3 CA _pdbx_validate_rmsd_angle.auth_asym_id_3 B _pdbx_validate_rmsd_angle.auth_comp_id_3 PRO _pdbx_validate_rmsd_angle.auth_seq_id_3 20 _pdbx_validate_rmsd_angle.PDB_ins_code_3 ? _pdbx_validate_rmsd_angle.label_alt_id_3 ? _pdbx_validate_rmsd_angle.angle_value 129.27 _pdbx_validate_rmsd_angle.angle_target_value 119.30 _pdbx_validate_rmsd_angle.angle_deviation 9.97 _pdbx_validate_rmsd_angle.angle_standard_deviation 1.50 _pdbx_validate_rmsd_angle.linker_flag Y # 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 SER A 22 ? ? -150.71 54.17 2 1 ASN A 110 ? ? 58.35 12.16 3 1 PRO B 20 ? ? -35.28 136.02 4 1 HIS B 31 ? ? -172.60 134.87 5 1 ILE B 35 ? ? -171.72 146.01 6 1 ASN B 42 ? ? 39.64 37.49 7 1 TRP B 60 ? ? 85.97 -10.18 # 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 0 B LYS 44 ? CG ? B LYS 44 CG 2 1 Y 0 B LYS 44 ? CD ? B LYS 44 CD 3 1 Y 0 B LYS 44 ? CE ? B LYS 44 CE 4 1 Y 0 B LYS 44 ? NZ ? B LYS 44 NZ # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A SER 1 ? A SER 1 2 1 Y 1 A GLU 2 ? A GLU 2 3 1 Y 1 A ALA 3 ? A ALA 3 4 1 Y 1 A GLN 4 ? A GLN 4 5 1 Y 1 A GLN 5 ? A GLN 5 6 1 Y 1 A LYS 6 ? A LYS 6 7 1 Y 1 A SER 89 ? A SER 89 8 1 Y 1 A PRO 90 ? A PRO 90 9 1 Y 1 A LYS 91 ? A LYS 91 10 1 Y 1 A GLU 92 ? A GLU 92 11 1 Y 1 A HIS 280 ? A HIS 280 12 1 Y 1 A HIS 281 ? A HIS 281 13 1 Y 1 A HIS 282 ? A HIS 282 14 1 Y 1 A HIS 283 ? A HIS 283 15 1 Y 1 A HIS 284 ? A HIS 284 16 1 Y 1 A HIS 285 ? A HIS 285 17 1 Y 1 B ILE 1 ? B ILE 1 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 N-ACETYL-D-GLUCOSAMINE NAG 4 BETA-D-MANNOSE BMA 5 ALPHA-D-MANNOSE MAN 6 ;(2R)-3-[(HYDROXY{[(2R,3R,5S,6R)-3,4,5-TRIHYDROXY-2,6-BIS(ALPHA-D-MANNOPYRANOSYLOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]PROPANE-1,2-DIYL DIHEXADECANOATE ; XPX 7 water HOH #