data_3GMP # _entry.id 3GMP # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3GMP RCSB RCSB052052 WWPDB D_1000052052 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1Z5L 'same protein bound to alpha-galactosyl ceramide' unspecified PDB 2AKR 'same protein bound to sulfatide' unspecified PDB 2FIK 'same protein bound to microbial alpha-galacturonosyl ceramide' unspecified PDB 2Q7Y 'same protein bound to mCD1d' unspecified PDB 3GMR 'same protein bound to C8Ph, different space group' unspecified PDB 3GMM 'same protein in complex with C8Ph' unspecified PDB 3GMN 'same protein in complex with C10Ph' unspecified PDB 3GMO 'same protein in complex with C8PhF' unspecified PDB 3GMQ 'same protein no ligand added' unspecified PDB 3GML 'same protein in complex with C6Ph' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3GMP _pdbx_database_status.recvd_initial_deposition_date 2009-03-14 _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 ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Schiefner, A.' 1 'Wilson, I.A.' 2 # _citation.id primary _citation.title 'Structural evaluation of potent NKT cell agonists: implications for design of novel stimulatory ligands.' _citation.journal_abbrev J.Mol.Biol. _citation.journal_volume 394 _citation.page_first 71 _citation.page_last 82 _citation.year 2009 _citation.journal_id_ASTM JMOBAK _citation.country UK _citation.journal_id_ISSN 0022-2836 _citation.journal_id_CSD 0070 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 19732779 _citation.pdbx_database_id_DOI 10.1016/j.jmb.2009.08.061 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Schiefner, A.' 1 primary 'Fujio, M.' 2 primary 'Wu, D.' 3 primary 'Wong, C.H.' 4 primary 'Wilson, I.A.' 5 # _cell.entry_id 3GMP _cell.length_a 41.710 _cell.length_b 97.730 _cell.length_c 55.490 _cell.angle_alpha 90.00 _cell.angle_beta 106.52 _cell.angle_gamma 90.00 _cell.Z_PDB 2 _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 3GMP _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 _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' 32776.797 1 ? ? 'UNP residues 19-297' ? 2 polymer man 'Beta-2 microglobulin' 11660.350 1 ? ? 'UNP residues 21-119' ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 4 non-polymer man BETA-D-MANNOSE 180.156 2 ? ? ? ? 5 non-polymer man ALPHA-D-MANNOSE 180.156 4 ? ? ? ? 6 non-polymer man ALPHA-L-FUCOSE 164.156 1 ? ? ? ? 7 non-polymer syn '(2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL' 605.844 1 ? ? ? ? 8 non-polymer syn 'PALMITIC ACID' 256.424 1 ? ? ? ? 9 non-polymer syn 1,2-ETHANEDIOL 62.068 4 ? ? ? ? 10 water nat water 18.015 307 ? ? ? ? # 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 ADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYWGSHHHHHH ; ;SEAQQKNYTFRCLQMSSFANRSWSRTDSVVWLGDLQTHRWSNDSATISFTKPWSQGKLSNQQWEKLQHMFQVYRVSFTRD IQELVKMMSPKEDYPIEIQLSAGCEMYPGNASESFLHVAFQGKYVVRFWGTSWQTVPGAPSWLDLPIKVLNADQGTSATV QMLLNDTCPLFVRGLLEAGKSDLEKQEKPVAWLSSVPSSAHGHRQLVCHVSGFYPKPVWVMWMRGDQEQQGTHRGDFLPN ADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYWGSHHHHHH ; 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 GLY n 1 281 SER n 1 282 HIS n 1 283 HIS n 1 284 HIS n 1 285 HIS n 1 286 HIS n 1 287 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 ? ? ? mouse ? 'Cd1d1, Cd1.1' ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? ? 'Spodoptera frugiperda' 7108 ? ? ? ? ? ? SF9 ? ? ? ? ? ? ? Baculovirus ? ? ? pAcUW51 ? ? 2 1 sample ? ? ? mouse ? B2m ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? ? 'Spodoptera frugiperda' 7108 ? ? ? ? ? ? SF9 ? ? ? ? ? ? ? Baculovirus ? ? ? pAcUW51 ? ? # 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 UNP Q91XJ8_MOUSE Q91XJ8 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 3GMP A 1 ? 279 ? P11609 19 ? 297 ? 1 279 2 2 3GMP B 1 ? 99 ? Q91XJ8 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 3GMP HIS A 201 ? UNP P11609 ASP 219 'SEE REMARK 999' 201 1 1 3GMP GLY A 280 ? UNP P11609 ? ? 'EXPRESSION TAG' 280 2 1 3GMP SER A 281 ? UNP P11609 ? ? 'EXPRESSION TAG' 281 3 1 3GMP HIS A 282 ? UNP P11609 ? ? 'EXPRESSION TAG' 282 4 1 3GMP HIS A 283 ? UNP P11609 ? ? 'EXPRESSION TAG' 283 5 1 3GMP HIS A 284 ? UNP P11609 ? ? 'EXPRESSION TAG' 284 6 1 3GMP HIS A 285 ? UNP P11609 ? ? 'EXPRESSION TAG' 285 7 1 3GMP HIS A 286 ? UNP P11609 ? ? 'EXPRESSION TAG' 286 8 1 3GMP HIS A 287 ? UNP P11609 ? ? 'EXPRESSION TAG' 287 9 # 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 EDO non-polymer . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2' 62.068 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 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 PBS non-polymer . '(2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL' ? 'C32 H63 N O9' 605.844 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PLM non-polymer . 'PALMITIC ACID' ? 'C16 H32 O2' 256.424 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 # _exptl.entry_id 3GMP _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.44 _exptl_crystal.density_percent_sol 49.59 _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 295 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 4.5 _exptl_crystal_grow.pdbx_details '0.2 M Malonate pH 4.5, 20%(v/v) PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K' _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 'MARMOSAIC 325 mm CCD' _diffrn_detector.pdbx_collection_date 2008-04-14 _diffrn_detector.details 'flat mirror' # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator '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 0.9795 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SSRL BEAMLINE BL11-1' _diffrn_source.pdbx_synchrotron_site SSRL _diffrn_source.pdbx_synchrotron_beamline BL11-1 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.9795 # _reflns.entry_id 3GMP _reflns.observed_criterion_sigma_I -3.0 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 30.0 _reflns.d_resolution_high 1.7 _reflns.number_obs 46664 _reflns.number_all 46664 _reflns.percent_possible_obs 99.5 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.031 _reflns.pdbx_netI_over_sigmaI 23.3 _reflns.B_iso_Wilson_estimate 31.9 _reflns.pdbx_redundancy 4.1 _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 1.7 _reflns_shell.d_res_low 1.8 _reflns_shell.percent_possible_all 98.8 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.336 _reflns_shell.meanI_over_sigI_obs 4.0 _reflns_shell.pdbx_redundancy 3.9 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all 7300 _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 3GMP _refine.ls_number_reflns_obs 44302 _refine.ls_number_reflns_all 46663 _refine.pdbx_ls_sigma_I ? _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 27.78 _refine.ls_d_res_high 1.70 _refine.ls_percent_reflns_obs 99.59 _refine.ls_R_factor_obs 0.17784 _refine.ls_R_factor_all 0.17784 _refine.ls_R_factor_R_work 0.17585 _refine.ls_R_factor_R_free 0.21569 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 2361 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.962 _refine.correlation_coeff_Fo_to_Fc_free 0.946 _refine.B_iso_mean 23.566 _refine.aniso_B[1][1] -1.50 _refine.aniso_B[2][2] 1.48 _refine.aniso_B[3][3] -0.80 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -1.45 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 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 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 'PDB entry 3GML' _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 0.105 _refine.pdbx_overall_ESU_R_Free 0.106 _refine.overall_SU_ML 0.070 _refine.overall_SU_B 4.442 _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_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag 'LIKELY RESIDUAL' _refine.pdbx_diffrn_id 1 _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 2975 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 222 _refine_hist.number_atoms_solvent 307 _refine_hist.number_atoms_total 3504 _refine_hist.d_res_high 1.70 _refine_hist.d_res_low 27.78 # 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 0.022 0.021 ? 3385 'X-RAY DIFFRACTION' ? r_angle_refined_deg 2.099 1.998 ? 4607 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.522 5.000 ? 382 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 34.153 24.211 ? 152 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 13.977 15.000 ? 528 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 21.150 15.000 ? 16 'X-RAY DIFFRACTION' ? r_chiral_restr 0.153 0.200 ? 509 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.011 0.021 ? 2502 'X-RAY DIFFRACTION' ? r_mcbond_it 1.314 1.500 ? 1889 'X-RAY DIFFRACTION' ? r_mcangle_it 2.177 2.000 ? 3073 'X-RAY DIFFRACTION' ? r_scbond_it 3.327 3.000 ? 1496 'X-RAY DIFFRACTION' ? r_scangle_it 5.077 4.500 ? 1534 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.700 _refine_ls_shell.d_res_low 1.744 _refine_ls_shell.number_reflns_R_work 3247 _refine_ls_shell.R_factor_R_work 0.244 _refine_ls_shell.percent_reflns_obs 97.66 _refine_ls_shell.R_factor_R_free 0.303 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 168 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs 3415 _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3GMP _struct.title 'Structure of mouse CD1d in complex with PBS-25' _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 3GMP _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' _struct_keywords.text 'CD1, NKT cell, glycolipid, 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 4 ? G N N 5 ? H N N 5 ? I N N 3 ? J N N 3 ? K N N 4 ? L N N 5 ? M N N 5 ? N N N 6 ? O N N 7 ? P N N 8 ? Q N N 9 ? R N N 9 ? S N N 9 ? T N N 9 ? U N N 10 ? V N N 10 ? # _struct_biol.id 1 _struct_biol.details ? # 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 ? SER A 89 ? SER A 59 SER A 89 1 ? 31 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 HELX_P HELX_P7 7 HIS A 267 ? GLY A 271 ? HIS A 267 GLY A 271 5 ? 5 # _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 ? ? ? ? ? ? ? 2.185 ? disulf2 disulf ? ? A CYS 208 SG ? ? ? 1_555 A CYS 263 SG ? ? A CYS 208 A CYS 263 1_555 ? ? ? ? ? ? ? 2.021 ? disulf3 disulf ? ? B CYS 25 SG ? ? ? 1_555 B CYS 80 SG ? ? B CYS 25 B CYS 80 1_555 ? ? ? ? ? ? ? 2.052 ? covale1 covale ? ? A ASN 20 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 20 A NAG 288 1_555 ? ? ? ? ? ? ? 1.426 ? covale2 covale ? ? A ASN 42 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 42 A NAG 289 1_555 ? ? ? ? ? ? ? 1.430 ? covale3 covale ? ? A ASN 165 ND2 ? ? ? 1_555 I NAG . C1 ? ? A ASN 165 A NAG 294 1_555 ? ? ? ? ? ? ? 1.434 ? covale4 covale ? ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 289 A NAG 290 1_555 ? ? ? ? ? ? ? 1.431 ? covale5 covale ? ? E NAG . O4 ? ? ? 1_555 F BMA . C1 ? ? A NAG 290 A BMA 291 1_555 ? ? ? ? ? ? ? 1.456 ? covale6 covale ? ? F BMA . O3 ? ? ? 1_555 G MAN . C1 ? ? A BMA 291 A MAN 292 1_555 ? ? ? ? ? ? ? 1.448 ? covale7 covale ? ? G MAN . O2 ? ? ? 1_555 H MAN . C1 ? ? A MAN 292 A MAN 293 1_555 ? ? ? ? ? ? ? 1.441 ? covale8 covale ? ? I NAG . O4 ? ? ? 1_555 J NAG . C1 ? ? A NAG 294 A NAG 295 1_555 ? ? ? ? ? ? ? 1.448 ? covale9 covale ? ? I NAG . O6 ? ? ? 1_555 N FUC . C1 ? ? A NAG 294 A FUC 299 1_555 ? ? ? ? ? ? ? 1.469 ? covale10 covale ? ? J NAG . O4 ? ? ? 1_555 K BMA . C1 ? ? A NAG 295 A BMA 296 1_555 ? ? ? ? ? ? ? 1.411 ? covale11 covale ? ? K BMA . O3 ? ? ? 1_555 M MAN . C1 ? ? A BMA 296 A MAN 298 1_555 ? ? ? ? ? ? ? 1.420 ? covale12 covale ? ? K BMA . O6 ? ? ? 1_555 L MAN . C1 ? ? A BMA 296 A MAN 297 1_555 ? ? ? ? ? ? ? 1.451 ? # 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 SER 89 A . ? SER 89 A PRO 90 A ? PRO 90 A 1 8.04 2 TYR 94 A . ? TYR 94 A PRO 95 A ? PRO 95 A 1 -3.90 3 TYR 214 A . ? TYR 214 A PRO 215 A ? PRO 215 A 1 4.71 4 HIS 31 B . ? HIS 31 B PRO 32 B ? PRO 32 B 1 5.78 # 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 ? TYR A 107 ? ILE A 96 TYR A 107 A 6 ALA A 111 ? PHE A 120 ? ALA A 111 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 ? SER A 194 ? VAL A 190 SER A 194 B 2 ARG A 204 ? PHE A 213 ? ARG A 204 PHE A 213 B 3 TRP A 245 ? VAL A 253 ? TRP A 245 VAL A 253 B 4 HIS A 233 ? ARG A 234 ? HIS A 233 ARG A 234 C 1 VAL A 190 ? SER A 194 ? VAL A 190 SER A 194 C 2 ARG A 204 ? PHE A 213 ? ARG A 204 PHE A 213 C 3 TRP A 245 ? VAL A 253 ? TRP A 245 VAL A 253 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 THR A 37 ? O THR A 37 N VAL A 30 ? N VAL A 30 A 3 4 O VAL A 29 ? O VAL A 29 N LEU A 13 ? N LEU A 13 A 4 5 N CYS A 12 ? N CYS A 12 O ALA A 102 ? O ALA A 102 A 5 6 N TYR A 107 ? N TYR A 107 O ALA A 111 ? O ALA A 111 A 6 7 N VAL A 118 ? N VAL A 118 O VAL A 125 ? O VAL A 125 A 7 8 N TRP A 129 ? N TRP A 129 O SER A 132 ? O SER A 132 B 1 2 N TRP A 192 ? N TRP A 192 O HIS A 209 ? O HIS A 209 B 2 3 N ARG A 204 ? N ARG A 204 O VAL A 253 ? O VAL A 253 B 3 4 O THR A 250 ? O THR A 250 N HIS A 233 ? N HIS A 233 C 1 2 N TRP A 192 ? N TRP A 192 O HIS A 209 ? O HIS A 209 C 2 3 N ARG A 204 ? N ARG A 204 O VAL A 253 ? O VAL A 253 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 221 ? N MET A 221 O ARG A 264 ? O ARG A 264 D 3 4 N VAL A 265 ? N VAL A 265 O ILE A 275 ? O ILE A 275 E 1 2 N TYR B 10 ? N TYR B 10 O ASN B 24 ? O ASN B 24 E 2 3 N ASN B 21 ? N ASN B 21 O PHE B 70 ? O PHE B 70 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 ASN B 21 ? N ASN B 21 O PHE B 70 ? O PHE B 70 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 ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 288' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 289' AC3 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 290' AC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE BMA A 291' AC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE MAN A 292' AC6 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 293' AC7 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 294' AC8 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG A 295' AC9 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE BMA A 296' BC1 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE MAN A 297' BC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 298' BC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE FUC A 299' BC4 Software ? ? ? ? 18 'BINDING SITE FOR RESIDUE PBS A 300' BC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE PLM A 301' BC6 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE EDO A 302' BC7 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE EDO A 303' BC8 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE EDO A 304' BC9 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE EDO B 100' # 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 4 ALA A 19 ? ALA A 19 . ? 1_555 ? 2 AC1 4 ASN A 20 ? ASN A 20 . ? 1_555 ? 3 AC1 4 SER A 22 ? SER A 22 . ? 1_555 ? 4 AC1 4 TRP A 23 ? TRP A 23 . ? 1_555 ? 5 AC2 5 TRP A 23 ? TRP A 23 . ? 1_555 ? 6 AC2 5 SER A 24 ? SER A 24 . ? 1_555 ? 7 AC2 5 ASN A 42 ? ASN A 42 . ? 1_555 ? 8 AC2 5 NAG E . ? NAG A 290 . ? 1_555 ? 9 AC2 5 HOH U . ? HOH A 445 . ? 1_555 ? 10 AC3 3 NAG D . ? NAG A 289 . ? 1_555 ? 11 AC3 3 BMA F . ? BMA A 291 . ? 1_555 ? 12 AC3 3 HOH U . ? HOH A 474 . ? 1_555 ? 13 AC4 2 NAG E . ? NAG A 290 . ? 1_555 ? 14 AC4 2 MAN G . ? MAN A 292 . ? 1_555 ? 15 AC5 2 BMA F . ? BMA A 291 . ? 1_555 ? 16 AC5 2 MAN H . ? MAN A 293 . ? 1_555 ? 17 AC6 1 MAN G . ? MAN A 292 . ? 1_555 ? 18 AC7 6 GLY A 130 ? GLY A 130 . ? 1_555 ? 19 AC7 6 GLN A 161 ? GLN A 161 . ? 1_555 ? 20 AC7 6 ASN A 165 ? ASN A 165 . ? 1_555 ? 21 AC7 6 NAG J . ? NAG A 295 . ? 1_555 ? 22 AC7 6 FUC N . ? FUC A 299 . ? 1_555 ? 23 AC7 6 HOH V . ? HOH B 192 . ? 1_656 ? 24 AC8 7 TRP A 129 ? TRP A 129 . ? 1_555 ? 25 AC8 7 GLY A 130 ? GLY A 130 . ? 1_555 ? 26 AC8 7 THR A 131 ? THR A 131 . ? 1_555 ? 27 AC8 7 NAG I . ? NAG A 294 . ? 1_555 ? 28 AC8 7 BMA K . ? BMA A 296 . ? 1_555 ? 29 AC8 7 MAN L . ? MAN A 297 . ? 1_555 ? 30 AC8 7 HOH U . ? HOH A 517 . ? 1_555 ? 31 AC9 5 GLU A 177 ? GLU A 177 . ? 1_655 ? 32 AC9 5 NAG J . ? NAG A 295 . ? 1_555 ? 33 AC9 5 MAN L . ? MAN A 297 . ? 1_555 ? 34 AC9 5 MAN M . ? MAN A 298 . ? 1_555 ? 35 AC9 5 HOH U . ? HOH A 348 . ? 1_555 ? 36 BC1 8 GLU A 177 ? GLU A 177 . ? 1_655 ? 37 BC1 8 ALA A 178 ? ALA A 178 . ? 1_655 ? 38 BC1 8 LYS A 180 ? LYS A 180 . ? 1_655 ? 39 BC1 8 SER A 181 ? SER A 181 . ? 1_655 ? 40 BC1 8 NAG J . ? NAG A 295 . ? 1_555 ? 41 BC1 8 BMA K . ? BMA A 296 . ? 1_555 ? 42 BC1 8 HOH U . ? HOH A 481 . ? 1_655 ? 43 BC1 8 HOH U . ? HOH A 503 . ? 1_555 ? 44 BC2 1 BMA K . ? BMA A 296 . ? 1_555 ? 45 BC3 5 SER A 114 ? SER A 114 . ? 1_555 ? 46 BC3 5 TRP A 129 ? TRP A 129 . ? 1_555 ? 47 BC3 5 GLY A 130 ? GLY A 130 . ? 1_555 ? 48 BC3 5 ASN A 165 ? ASN A 165 . ? 1_555 ? 49 BC3 5 NAG I . ? NAG A 294 . ? 1_555 ? 50 BC4 18 TYR A 73 ? TYR A 73 . ? 1_555 ? 51 BC4 18 SER A 76 ? SER A 76 . ? 1_555 ? 52 BC4 18 ASP A 80 ? ASP A 80 . ? 1_555 ? 53 BC4 18 LEU A 100 ? LEU A 100 . ? 1_555 ? 54 BC4 18 VAL A 118 ? VAL A 118 . ? 1_555 ? 55 BC4 18 TRP A 133 ? TRP A 133 . ? 1_555 ? 56 BC4 18 TRP A 142 ? TRP A 142 . ? 1_555 ? 57 BC4 18 LEU A 143 ? LEU A 143 . ? 1_555 ? 58 BC4 18 ASP A 153 ? ASP A 153 . ? 1_555 ? 59 BC4 18 GLY A 155 ? GLY A 155 . ? 1_555 ? 60 BC4 18 THR A 156 ? THR A 156 . ? 1_555 ? 61 BC4 18 THR A 159 ? THR A 159 . ? 1_555 ? 62 BC4 18 HOH U . ? HOH A 329 . ? 1_555 ? 63 BC4 18 HOH U . ? HOH A 354 . ? 1_555 ? 64 BC4 18 HOH U . ? HOH A 373 . ? 1_555 ? 65 BC4 18 HOH U . ? HOH A 378 . ? 1_555 ? 66 BC4 18 HOH U . ? HOH A 389 . ? 1_555 ? 67 BC4 18 HOH U . ? HOH A 470 . ? 1_555 ? 68 BC5 6 GLN A 14 ? GLN A 14 . ? 1_555 ? 69 BC5 6 SER A 28 ? SER A 28 . ? 1_555 ? 70 BC5 6 PHE A 70 ? PHE A 70 . ? 1_555 ? 71 BC5 6 TYR A 73 ? TYR A 73 . ? 1_555 ? 72 BC5 6 ALA A 102 ? ALA A 102 . ? 1_555 ? 73 BC5 6 HOH U . ? HOH A 450 . ? 1_555 ? 74 BC6 6 ASP A 34 ? ASP A 34 . ? 1_555 ? 75 BC6 6 ASN A 240 ? ASN A 240 . ? 1_555 ? 76 BC6 6 GLU A 243 ? GLU A 243 . ? 1_555 ? 77 BC6 6 THR A 244 ? THR A 244 . ? 1_555 ? 78 BC6 6 TRP A 245 ? TRP A 245 . ? 1_555 ? 79 BC6 6 HOH U . ? HOH A 344 . ? 1_555 ? 80 BC7 6 GLY A 235 ? GLY A 235 . ? 1_555 ? 81 BC7 6 ASP A 236 ? ASP A 236 . ? 1_555 ? 82 BC7 6 LEU A 238 ? LEU A 238 . ? 1_555 ? 83 BC7 6 LEU A 247 ? LEU A 247 . ? 1_555 ? 84 BC7 6 GLN A 248 ? GLN A 248 . ? 1_555 ? 85 BC7 6 GLN B 8 ? GLN B 8 . ? 1_555 ? 86 BC8 8 TRP A 31 ? TRP A 31 . ? 1_555 ? 87 BC8 8 PRO A 239 ? PRO A 239 . ? 1_555 ? 88 BC8 8 HOH U . ? HOH A 344 . ? 1_555 ? 89 BC8 8 HOH U . ? HOH A 362 . ? 1_555 ? 90 BC8 8 HOH U . ? HOH A 501 . ? 1_555 ? 91 BC8 8 SER B 52 ? SER B 52 . ? 1_555 ? 92 BC8 8 TYR B 63 ? TYR B 63 . ? 1_555 ? 93 BC8 8 HOH V . ? HOH B 253 . ? 1_555 ? 94 BC9 8 GLN B 8 ? GLN B 8 . ? 1_555 ? 95 BC9 8 VAL B 9 ? VAL B 9 . ? 1_555 ? 96 BC9 8 VAL B 93 ? VAL B 93 . ? 1_555 ? 97 BC9 8 TYR B 94 ? TYR B 94 . ? 1_555 ? 98 BC9 8 TRP B 95 ? TRP B 95 . ? 1_555 ? 99 BC9 8 ASP B 96 ? ASP B 96 . ? 1_555 ? 100 BC9 8 MET B 99 ? MET B 99 . ? 1_555 ? 101 BC9 8 HOH V . ? HOH B 355 . ? 1_555 ? # _database_PDB_matrix.entry_id 3GMP _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 3GMP _atom_sites.fract_transf_matrix[1][1] 0.023975 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.007111 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.010232 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.018797 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O 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 ? -9.363 -34.201 8.760 1.00 34.77 ? 7 ASN A N 1 ATOM 2 C CA . ASN A 1 7 ? -8.431 -33.045 9.058 1.00 34.21 ? 7 ASN A CA 1 ATOM 3 C C . ASN A 1 7 ? -9.137 -31.750 8.632 1.00 33.15 ? 7 ASN A C 1 ATOM 4 O O . ASN A 1 7 ? -9.923 -31.776 7.668 1.00 33.64 ? 7 ASN A O 1 ATOM 5 C CB . ASN A 1 7 ? -7.109 -33.166 8.293 1.00 36.02 ? 7 ASN A CB 1 ATOM 6 C CG . ASN A 1 7 ? -6.357 -34.494 8.570 1.00 39.25 ? 7 ASN A CG 1 ATOM 7 O OD1 . ASN A 1 7 ? -6.834 -35.357 9.307 1.00 40.98 ? 7 ASN A OD1 1 ATOM 8 N ND2 . ASN A 1 7 ? -5.189 -34.654 7.951 1.00 42.90 ? 7 ASN A ND2 1 ATOM 9 N N . TYR A 1 8 ? -8.940 -30.667 9.379 1.00 29.50 ? 8 TYR A N 1 ATOM 10 C CA . TYR A 1 8 ? -9.486 -29.349 8.999 1.00 27.98 ? 8 TYR A CA 1 ATOM 11 C C . TYR A 1 8 ? -8.356 -28.380 9.223 1.00 26.09 ? 8 TYR A C 1 ATOM 12 O O . TYR A 1 8 ? -7.687 -28.408 10.266 1.00 26.30 ? 8 TYR A O 1 ATOM 13 C CB . TYR A 1 8 ? -10.630 -28.879 9.887 1.00 27.72 ? 8 TYR A CB 1 ATOM 14 C CG . TYR A 1 8 ? -11.946 -29.556 9.671 1.00 29.41 ? 8 TYR A CG 1 ATOM 15 C CD1 . TYR A 1 8 ? -12.300 -30.634 10.448 1.00 31.69 ? 8 TYR A CD1 1 ATOM 16 C CD2 . TYR A 1 8 ? -12.869 -29.075 8.739 1.00 31.42 ? 8 TYR A CD2 1 ATOM 17 C CE1 . TYR A 1 8 ? -13.521 -31.237 10.296 1.00 34.07 ? 8 TYR A CE1 1 ATOM 18 C CE2 . TYR A 1 8 ? -14.107 -29.690 8.574 1.00 31.49 ? 8 TYR A CE2 1 ATOM 19 C CZ . TYR A 1 8 ? -14.411 -30.766 9.358 1.00 34.76 ? 8 TYR A CZ 1 ATOM 20 O OH . TYR A 1 8 ? -15.617 -31.404 9.229 1.00 38.91 ? 8 TYR A OH 1 ATOM 21 N N . THR A 1 9 ? -8.165 -27.515 8.254 1.00 24.66 ? 9 THR A N 1 ATOM 22 C CA . THR A 1 9 ? -7.107 -26.527 8.331 1.00 23.23 ? 9 THR A CA 1 ATOM 23 C C . THR A 1 9 ? -7.805 -25.177 8.506 1.00 22.30 ? 9 THR A C 1 ATOM 24 O O . THR A 1 9 ? -8.685 -24.782 7.684 1.00 20.34 ? 9 THR A O 1 ATOM 25 C CB . THR A 1 9 ? -6.315 -26.500 7.053 1.00 22.71 ? 9 THR A CB 1 ATOM 26 O OG1 . THR A 1 9 ? -5.675 -27.764 6.844 1.00 28.54 ? 9 THR A OG1 1 ATOM 27 C CG2 . THR A 1 9 ? -5.234 -25.432 7.118 1.00 25.16 ? 9 THR A CG2 1 ATOM 28 N N . PHE A 1 10 ? -7.383 -24.443 9.528 1.00 18.98 ? 10 PHE A N 1 ATOM 29 C CA . PHE A 1 10 ? -7.914 -23.107 9.800 1.00 18.85 ? 10 PHE A CA 1 ATOM 30 C C . PHE A 1 10 ? -6.870 -22.134 9.306 1.00 16.94 ? 10 PHE A C 1 ATOM 31 O O . PHE A 1 10 ? -5.708 -22.236 9.744 1.00 17.09 ? 10 PHE A O 1 ATOM 32 C CB . PHE A 1 10 ? -7.993 -22.969 11.354 1.00 18.65 ? 10 PHE A CB 1 ATOM 33 C CG . PHE A 1 10 ? -8.490 -21.643 11.825 1.00 18.24 ? 10 PHE A CG 1 ATOM 34 C CD1 . PHE A 1 10 ? -9.820 -21.260 11.633 1.00 17.72 ? 10 PHE A CD1 1 ATOM 35 C CD2 . PHE A 1 10 ? -7.637 -20.799 12.551 1.00 19.12 ? 10 PHE A CD2 1 ATOM 36 C CE1 . PHE A 1 10 ? -10.266 -20.038 12.069 1.00 19.29 ? 10 PHE A CE1 1 ATOM 37 C CE2 . PHE A 1 10 ? -8.085 -19.554 13.013 1.00 22.07 ? 10 PHE A CE2 1 ATOM 38 C CZ . PHE A 1 10 ? -9.379 -19.174 12.763 1.00 22.66 ? 10 PHE A CZ 1 ATOM 39 N N A ARG A 1 11 ? -7.189 -21.244 8.378 0.50 16.57 ? 11 ARG A N 1 ATOM 40 N N B ARG A 1 11 ? -7.257 -21.266 8.365 0.50 17.01 ? 11 ARG A N 1 ATOM 41 C CA A ARG A 1 11 ? -6.167 -20.328 7.857 0.50 15.70 ? 11 ARG A CA 1 ATOM 42 C CA B ARG A 1 11 ? -6.389 -20.286 7.680 0.50 16.88 ? 11 ARG A CA 1 ATOM 43 C C A ARG A 1 11 ? -6.671 -18.919 7.913 0.50 17.25 ? 11 ARG A C 1 ATOM 44 C C B ARG A 1 11 ? -6.800 -18.887 8.056 0.50 17.92 ? 11 ARG A C 1 ATOM 45 O O A ARG A 1 11 ? -7.759 -18.623 7.383 0.50 14.10 ? 11 ARG A O 1 ATOM 46 O O B ARG A 1 11 ? -7.946 -18.536 7.823 0.50 16.70 ? 11 ARG A O 1 ATOM 47 C CB A ARG A 1 11 ? -5.840 -20.649 6.385 0.50 17.06 ? 11 ARG A CB 1 ATOM 48 C CB B ARG A 1 11 ? -6.642 -20.349 6.135 0.50 17.78 ? 11 ARG A CB 1 ATOM 49 C CG A ARG A 1 11 ? -5.415 -22.000 6.067 0.50 19.11 ? 11 ARG A CG 1 ATOM 50 C CG B ARG A 1 11 ? -6.204 -21.567 5.426 0.50 20.97 ? 11 ARG A CG 1 ATOM 51 C CD A ARG A 1 11 ? -5.684 -22.245 4.557 0.50 24.63 ? 11 ARG A CD 1 ATOM 52 C CD B ARG A 1 11 ? -6.490 -21.500 3.875 0.50 22.89 ? 11 ARG A CD 1 ATOM 53 N NE A ARG A 1 11 ? -4.959 -23.366 3.989 0.50 25.88 ? 11 ARG A NE 1 ATOM 54 N NE B ARG A 1 11 ? -7.798 -22.077 3.485 0.50 29.86 ? 11 ARG A NE 1 ATOM 55 C CZ A ARG A 1 11 ? -5.476 -24.556 3.711 0.50 27.80 ? 11 ARG A CZ 1 ATOM 56 C CZ B ARG A 1 11 ? -8.382 -21.881 2.292 0.50 28.79 ? 11 ARG A CZ 1 ATOM 57 N NH1 A ARG A 1 11 ? -6.736 -24.850 3.992 0.50 25.76 ? 11 ARG A NH1 1 ATOM 58 N NH1 B ARG A 1 11 ? -7.784 -21.143 1.388 0.50 30.63 ? 11 ARG A NH1 1 ATOM 59 N NH2 A ARG A 1 11 ? -4.701 -25.483 3.175 0.50 32.81 ? 11 ARG A NH2 1 ATOM 60 N NH2 B ARG A 1 11 ? -9.558 -22.410 1.990 0.50 25.02 ? 11 ARG A NH2 1 ATOM 61 N N . CYS A 1 12 ? -5.861 -18.075 8.552 1.00 15.09 ? 12 CYS A N 1 ATOM 62 C CA . CYS A 1 12 ? -6.087 -16.640 8.617 1.00 17.04 ? 12 CYS A CA 1 ATOM 63 C C . CYS A 1 12 ? -5.223 -16.045 7.554 1.00 18.09 ? 12 CYS A C 1 ATOM 64 O O . CYS A 1 12 ? -4.005 -16.195 7.625 1.00 18.81 ? 12 CYS A O 1 ATOM 65 C CB . CYS A 1 12 ? -5.671 -16.089 9.991 1.00 17.37 ? 12 CYS A CB 1 ATOM 66 S SG . CYS A 1 12 ? -6.628 -16.784 11.349 1.00 23.43 ? 12 CYS A SG 1 ATOM 67 N N . LEU A 1 13 ? -5.830 -15.386 6.572 1.00 15.19 ? 13 LEU A N 1 ATOM 68 C CA . LEU A 1 13 ? -5.102 -14.876 5.420 1.00 15.68 ? 13 LEU A CA 1 ATOM 69 C C . LEU A 1 13 ? -5.165 -13.374 5.448 1.00 16.06 ? 13 LEU A C 1 ATOM 70 O O . LEU A 1 13 ? -6.300 -12.728 5.344 1.00 16.94 ? 13 LEU A O 1 ATOM 71 C CB . LEU A 1 13 ? -5.731 -15.400 4.111 1.00 13.90 ? 13 LEU A CB 1 ATOM 72 C CG . LEU A 1 13 ? -5.940 -16.903 4.038 1.00 15.01 ? 13 LEU A CG 1 ATOM 73 C CD1 . LEU A 1 13 ? -6.557 -17.232 2.577 1.00 17.54 ? 13 LEU A CD1 1 ATOM 74 C CD2 . LEU A 1 13 ? -4.596 -17.632 4.220 1.00 19.91 ? 13 LEU A CD2 1 ATOM 75 N N . GLN A 1 14 ? -3.980 -12.772 5.545 1.00 14.90 ? 14 GLN A N 1 ATOM 76 C CA . GLN A 1 14 ? -3.904 -11.300 5.586 1.00 15.21 ? 14 GLN A CA 1 ATOM 77 C C . GLN A 1 14 ? -3.297 -10.780 4.303 1.00 15.95 ? 14 GLN A C 1 ATOM 78 O O . GLN A 1 14 ? -2.340 -11.402 3.807 1.00 16.10 ? 14 GLN A O 1 ATOM 79 C CB . GLN A 1 14 ? -3.047 -10.930 6.805 1.00 14.87 ? 14 GLN A CB 1 ATOM 80 C CG . GLN A 1 14 ? -2.814 -9.403 6.904 1.00 15.98 ? 14 GLN A CG 1 ATOM 81 C CD . GLN A 1 14 ? -1.797 -9.108 7.993 1.00 22.91 ? 14 GLN A CD 1 ATOM 82 O OE1 . GLN A 1 14 ? -1.688 -9.865 8.931 1.00 29.59 ? 14 GLN A OE1 1 ATOM 83 N NE2 . GLN A 1 14 ? -0.915 -8.154 7.745 1.00 22.61 ? 14 GLN A NE2 1 ATOM 84 N N . MET A 1 15 ? -3.892 -9.728 3.715 1.00 14.12 ? 15 MET A N 1 ATOM 85 C CA . MET A 1 15 ? -3.311 -9.172 2.525 1.00 17.02 ? 15 MET A CA 1 ATOM 86 C C . MET A 1 15 ? -3.151 -7.687 2.742 1.00 17.56 ? 15 MET A C 1 ATOM 87 O O . MET A 1 15 ? -4.136 -6.991 3.000 1.00 18.14 ? 15 MET A O 1 ATOM 88 C CB . MET A 1 15 ? -4.121 -9.604 1.251 1.00 20.20 ? 15 MET A CB 1 ATOM 89 C CG . MET A 1 15 ? -5.538 -9.469 1.230 1.00 26.97 ? 15 MET A CG 1 ATOM 90 S SD . MET A 1 15 ? -6.367 -11.009 0.510 1.00 24.54 ? 15 MET A SD 1 ATOM 91 C CE . MET A 1 15 ? -7.161 -11.478 2.053 1.00 24.44 ? 15 MET A CE 1 ATOM 92 N N . SER A 1 16 ? -1.899 -7.196 2.678 1.00 16.01 ? 16 SER A N 1 ATOM 93 C CA . SER A 1 16 ? -1.646 -5.816 2.987 1.00 17.66 ? 16 SER A CA 1 ATOM 94 C C . SER A 1 16 ? -0.997 -5.185 1.767 1.00 17.49 ? 16 SER A C 1 ATOM 95 O O . SER A 1 16 ? 0.019 -5.702 1.223 1.00 20.98 ? 16 SER A O 1 ATOM 96 C CB . SER A 1 16 ? -0.682 -5.679 4.212 1.00 15.53 ? 16 SER A CB 1 ATOM 97 O OG . SER A 1 16 ? -1.282 -6.141 5.377 1.00 20.05 ? 16 SER A OG 1 ATOM 98 N N . SER A 1 17 ? -1.532 -4.079 1.299 1.00 17.62 ? 17 SER A N 1 ATOM 99 C CA . SER A 1 17 ? -0.992 -3.372 0.147 1.00 19.06 ? 17 SER A CA 1 ATOM 100 C C . SER A 1 17 ? -0.483 -2.007 0.595 1.00 19.87 ? 17 SER A C 1 ATOM 101 O O . SER A 1 17 ? -1.192 -1.268 1.278 1.00 19.69 ? 17 SER A O 1 ATOM 102 C CB . SER A 1 17 ? -2.071 -3.174 -0.952 1.00 20.12 ? 17 SER A CB 1 ATOM 103 O OG . SER A 1 17 ? -2.559 -4.472 -1.303 1.00 26.39 ? 17 SER A OG 1 ATOM 104 N N . PHE A 1 18 ? 0.762 -1.712 0.287 1.00 17.99 ? 18 PHE A N 1 ATOM 105 C CA . PHE A 1 18 ? 1.325 -0.354 0.566 1.00 20.28 ? 18 PHE A CA 1 ATOM 106 C C . PHE A 1 18 ? 1.618 0.314 -0.771 1.00 23.66 ? 18 PHE A C 1 ATOM 107 O O . PHE A 1 18 ? 2.579 -0.018 -1.476 1.00 23.55 ? 18 PHE A O 1 ATOM 108 C CB . PHE A 1 18 ? 2.612 -0.466 1.421 1.00 19.33 ? 18 PHE A CB 1 ATOM 109 C CG . PHE A 1 18 ? 2.400 -1.164 2.750 1.00 23.04 ? 18 PHE A CG 1 ATOM 110 C CD1 . PHE A 1 18 ? 2.322 -2.556 2.814 1.00 19.31 ? 18 PHE A CD1 1 ATOM 111 C CD2 . PHE A 1 18 ? 2.253 -0.432 3.948 1.00 21.59 ? 18 PHE A CD2 1 ATOM 112 C CE1 . PHE A 1 18 ? 2.053 -3.216 4.006 1.00 19.63 ? 18 PHE A CE1 1 ATOM 113 C CE2 . PHE A 1 18 ? 2.000 -1.090 5.146 1.00 21.76 ? 18 PHE A CE2 1 ATOM 114 C CZ . PHE A 1 18 ? 1.913 -2.470 5.190 1.00 20.23 ? 18 PHE A CZ 1 ATOM 115 N N . ALA A 1 19 ? 0.786 1.284 -1.132 1.00 26.76 ? 19 ALA A N 1 ATOM 116 C CA . ALA A 1 19 ? 0.891 1.897 -2.448 1.00 29.64 ? 19 ALA A CA 1 ATOM 117 C C . ALA A 1 19 ? 1.980 2.939 -2.487 1.00 31.31 ? 19 ALA A C 1 ATOM 118 O O . ALA A 1 19 ? 2.654 3.067 -3.497 1.00 32.84 ? 19 ALA A O 1 ATOM 119 C CB . ALA A 1 19 ? -0.433 2.504 -2.864 1.00 30.48 ? 19 ALA A CB 1 ATOM 120 N N . ASN A 1 20 ? 2.139 3.683 -1.383 1.00 32.29 ? 20 ASN A N 1 ATOM 121 C CA . ASN A 1 20 ? 3.128 4.711 -1.211 1.00 32.55 ? 20 ASN A CA 1 ATOM 122 C C . ASN A 1 20 ? 3.118 5.124 0.270 1.00 32.77 ? 20 ASN A C 1 ATOM 123 O O . ASN A 1 20 ? 2.431 4.516 1.097 1.00 32.64 ? 20 ASN A O 1 ATOM 124 C CB . ASN A 1 20 ? 2.804 5.935 -2.069 1.00 33.80 ? 20 ASN A CB 1 ATOM 125 C CG . ASN A 1 20 ? 1.386 6.385 -1.874 1.00 36.93 ? 20 ASN A CG 1 ATOM 126 O OD1 . ASN A 1 20 ? 0.953 6.664 -0.743 1.00 34.16 ? 20 ASN A OD1 1 ATOM 127 N ND2 . ASN A 1 20 ? 0.649 6.460 -2.965 1.00 41.88 ? 20 ASN A ND2 1 ATOM 128 N N . ARG A 1 21 ? 3.908 6.132 0.609 1.00 32.77 ? 21 ARG A N 1 ATOM 129 C CA . ARG A 1 21 ? 4.045 6.571 1.991 1.00 32.30 ? 21 ARG A CA 1 ATOM 130 C C . ARG A 1 21 ? 2.696 6.952 2.609 1.00 31.19 ? 21 ARG A C 1 ATOM 131 O O . ARG A 1 21 ? 2.579 6.929 3.823 1.00 30.78 ? 21 ARG A O 1 ATOM 132 C CB . ARG A 1 21 ? 4.977 7.800 2.070 1.00 34.42 ? 21 ARG A CB 1 ATOM 133 C CG . ARG A 1 21 ? 6.418 7.516 2.426 1.00 37.27 ? 21 ARG A CG 1 ATOM 134 C CD . ARG A 1 21 ? 7.239 8.836 2.615 1.00 44.71 ? 21 ARG A CD 1 ATOM 135 N NE . ARG A 1 21 ? 8.527 8.583 3.280 1.00 47.12 ? 21 ARG A NE 1 ATOM 136 C CZ . ARG A 1 21 ? 9.606 9.358 3.171 1.00 51.02 ? 21 ARG A CZ 1 ATOM 137 N NH1 . ARG A 1 21 ? 9.571 10.458 2.424 1.00 52.92 ? 21 ARG A NH1 1 ATOM 138 N NH2 . ARG A 1 21 ? 10.731 9.044 3.811 1.00 51.62 ? 21 ARG A NH2 1 ATOM 139 N N . SER A 1 22 ? 1.717 7.372 1.799 1.00 29.79 ? 22 SER A N 1 ATOM 140 C CA . SER A 1 22 ? 0.394 7.824 2.304 1.00 30.08 ? 22 SER A CA 1 ATOM 141 C C . SER A 1 22 ? -0.817 6.890 2.146 1.00 29.93 ? 22 SER A C 1 ATOM 142 O O . SER A 1 22 ? -1.939 7.279 2.469 1.00 30.67 ? 22 SER A O 1 ATOM 143 C CB . SER A 1 22 ? -0.010 9.143 1.613 1.00 30.38 ? 22 SER A CB 1 ATOM 144 O OG . SER A 1 22 ? 0.984 10.128 1.820 1.00 32.73 ? 22 SER A OG 1 ATOM 145 N N . TRP A 1 23 ? -0.645 5.686 1.612 1.00 27.43 ? 23 TRP A N 1 ATOM 146 C CA . TRP A 1 23 ? -1.803 4.857 1.308 1.00 25.35 ? 23 TRP A CA 1 ATOM 147 C C . TRP A 1 23 ? -1.424 3.417 1.565 1.00 24.47 ? 23 TRP A C 1 ATOM 148 O O . TRP A 1 23 ? -0.466 2.891 0.982 1.00 24.23 ? 23 TRP A O 1 ATOM 149 C CB . TRP A 1 23 ? -2.172 4.956 -0.175 1.00 26.23 ? 23 TRP A CB 1 ATOM 150 C CG . TRP A 1 23 ? -3.442 4.325 -0.560 1.00 27.40 ? 23 TRP A CG 1 ATOM 151 C CD1 . TRP A 1 23 ? -4.643 4.970 -0.709 1.00 30.83 ? 23 TRP A CD1 1 ATOM 152 C CD2 . TRP A 1 23 ? -3.686 2.939 -0.894 1.00 30.94 ? 23 TRP A CD2 1 ATOM 153 N NE1 . TRP A 1 23 ? -5.611 4.071 -1.071 1.00 29.45 ? 23 TRP A NE1 1 ATOM 154 C CE2 . TRP A 1 23 ? -5.063 2.823 -1.189 1.00 30.45 ? 23 TRP A CE2 1 ATOM 155 C CE3 . TRP A 1 23 ? -2.892 1.779 -0.910 1.00 31.31 ? 23 TRP A CE3 1 ATOM 156 C CZ2 . TRP A 1 23 ? -5.657 1.620 -1.528 1.00 29.51 ? 23 TRP A CZ2 1 ATOM 157 C CZ3 . TRP A 1 23 ? -3.476 0.588 -1.266 1.00 28.73 ? 23 TRP A CZ3 1 ATOM 158 C CH2 . TRP A 1 23 ? -4.853 0.508 -1.574 1.00 33.25 ? 23 TRP A CH2 1 ATOM 159 N N . SER A 1 24 ? -2.155 2.782 2.449 1.00 23.88 ? 24 SER A N 1 ATOM 160 C CA . SER A 1 24 ? -1.990 1.334 2.575 1.00 21.46 ? 24 SER A CA 1 ATOM 161 C C . SER A 1 24 ? -3.289 0.823 3.051 1.00 20.99 ? 24 SER A C 1 ATOM 162 O O . SER A 1 24 ? -4.146 1.597 3.540 1.00 21.57 ? 24 SER A O 1 ATOM 163 C CB . SER A 1 24 ? -0.931 0.946 3.607 1.00 23.71 ? 24 SER A CB 1 ATOM 164 O OG . SER A 1 24 ? -1.449 1.205 4.895 1.00 25.67 ? 24 SER A OG 1 ATOM 165 N N . ARG A 1 25 ? -3.476 -0.465 2.898 1.00 18.43 ? 25 ARG A N 1 ATOM 166 C CA . ARG A 1 25 ? -4.645 -1.103 3.475 1.00 17.72 ? 25 ARG A CA 1 ATOM 167 C C . ARG A 1 25 ? -4.316 -2.549 3.823 1.00 17.85 ? 25 ARG A C 1 ATOM 168 O O . ARG A 1 25 ? -3.474 -3.178 3.153 1.00 18.79 ? 25 ARG A O 1 ATOM 169 C CB . ARG A 1 25 ? -5.857 -1.016 2.553 1.00 20.77 ? 25 ARG A CB 1 ATOM 170 C CG . ARG A 1 25 ? -5.796 -1.815 1.260 1.00 22.84 ? 25 ARG A CG 1 ATOM 171 C CD . ARG A 1 25 ? -7.167 -1.655 0.493 1.00 27.94 ? 25 ARG A CD 1 ATOM 172 N NE . ARG A 1 25 ? -8.319 -2.238 1.236 1.00 26.41 ? 25 ARG A NE 1 ATOM 173 C CZ . ARG A 1 25 ? -9.484 -1.637 1.470 1.00 31.26 ? 25 ARG A CZ 1 ATOM 174 N NH1 . ARG A 1 25 ? -9.704 -0.423 0.983 1.00 32.68 ? 25 ARG A NH1 1 ATOM 175 N NH2 . ARG A 1 25 ? -10.439 -2.248 2.175 1.00 27.27 ? 25 ARG A NH2 1 ATOM 176 N N . THR A 1 26 ? -5.006 -3.076 4.823 1.00 16.35 ? 26 THR A N 1 ATOM 177 C CA . THR A 1 26 ? -4.799 -4.471 5.235 1.00 16.35 ? 26 THR A CA 1 ATOM 178 C C . THR A 1 26 ? -6.151 -5.081 5.308 1.00 16.58 ? 26 THR A C 1 ATOM 179 O O . THR A 1 26 ? -6.999 -4.516 5.912 1.00 19.14 ? 26 THR A O 1 ATOM 180 C CB . THR A 1 26 ? -4.090 -4.577 6.621 1.00 16.29 ? 26 THR A CB 1 ATOM 181 O OG1 . THR A 1 26 ? -2.740 -4.125 6.442 1.00 16.35 ? 26 THR A OG1 1 ATOM 182 C CG2 . THR A 1 26 ? -4.091 -6.005 7.145 1.00 20.46 ? 26 THR A CG2 1 ATOM 183 N N . ASP A 1 27 ? -6.381 -6.244 4.705 1.00 14.94 ? 27 ASP A N 1 ATOM 184 C CA . ASP A 1 27 ? -7.719 -6.898 4.775 1.00 16.36 ? 27 ASP A CA 1 ATOM 185 C C . ASP A 1 27 ? -7.423 -8.347 5.069 1.00 17.04 ? 27 ASP A C 1 ATOM 186 O O . ASP A 1 27 ? -6.397 -8.912 4.594 1.00 18.83 ? 27 ASP A O 1 ATOM 187 C CB . ASP A 1 27 ? -8.456 -6.803 3.409 1.00 16.12 ? 27 ASP A CB 1 ATOM 188 C CG . ASP A 1 27 ? -8.708 -5.338 2.990 1.00 19.30 ? 27 ASP A CG 1 ATOM 189 O OD1 . ASP A 1 27 ? -7.920 -4.741 2.211 1.00 25.83 ? 27 ASP A OD1 1 ATOM 190 O OD2 . ASP A 1 27 ? -9.612 -4.736 3.546 1.00 20.57 ? 27 ASP A OD2 1 ATOM 191 N N A SER A 1 28 ? -8.297 -8.985 5.827 0.50 15.81 ? 28 SER A N 1 ATOM 192 N N B SER A 1 28 ? -8.279 -8.992 5.840 0.50 16.52 ? 28 SER A N 1 ATOM 193 C CA A SER A 1 28 ? -8.119 -10.404 6.139 0.50 15.59 ? 28 SER A CA 1 ATOM 194 C CA B SER A 1 28 ? -8.091 -10.422 6.101 0.50 17.11 ? 28 SER A CA 1 ATOM 195 C C A SER A 1 28 ? -9.377 -11.208 5.902 0.50 15.55 ? 28 SER A C 1 ATOM 196 C C B SER A 1 28 ? -9.367 -11.219 5.929 0.50 16.30 ? 28 SER A C 1 ATOM 197 O O A SER A 1 28 ? -10.513 -10.669 5.929 0.50 15.76 ? 28 SER A O 1 ATOM 198 O O B SER A 1 28 ? -10.501 -10.694 6.023 0.50 16.59 ? 28 SER A O 1 ATOM 199 C CB A SER A 1 28 ? -7.659 -10.596 7.579 0.50 17.17 ? 28 SER A CB 1 ATOM 200 C CB B SER A 1 28 ? -7.509 -10.671 7.491 0.50 18.68 ? 28 SER A CB 1 ATOM 201 O OG A SER A 1 28 ? -6.343 -10.107 7.746 0.50 13.55 ? 28 SER A OG 1 ATOM 202 O OG B SER A 1 28 ? -8.179 -9.864 8.440 0.50 21.17 ? 28 SER A OG 1 ATOM 203 N N . VAL A 1 29 ? -9.181 -12.492 5.640 1.00 16.09 ? 29 VAL A N 1 ATOM 204 C CA . VAL A 1 29 ? -10.299 -13.458 5.550 1.00 15.47 ? 29 VAL A CA 1 ATOM 205 C C . VAL A 1 29 ? -9.878 -14.666 6.291 1.00 15.90 ? 29 VAL A C 1 ATOM 206 O O . VAL A 1 29 ? -8.637 -14.939 6.423 1.00 18.02 ? 29 VAL A O 1 ATOM 207 C CB . VAL A 1 29 ? -10.676 -13.842 4.106 1.00 16.81 ? 29 VAL A CB 1 ATOM 208 C CG1 . VAL A 1 29 ? -11.244 -12.584 3.388 1.00 15.47 ? 29 VAL A CG1 1 ATOM 209 C CG2 . VAL A 1 29 ? -9.451 -14.403 3.324 1.00 18.69 ? 29 VAL A CG2 1 ATOM 210 N N . VAL A 1 30 ? -10.819 -15.403 6.853 1.00 15.56 ? 30 VAL A N 1 ATOM 211 C CA . VAL A 1 30 ? -10.456 -16.550 7.652 1.00 13.83 ? 30 VAL A CA 1 ATOM 212 C C . VAL A 1 30 ? -11.304 -17.715 7.168 1.00 16.15 ? 30 VAL A C 1 ATOM 213 O O . VAL A 1 30 ? -12.536 -17.519 7.007 1.00 16.27 ? 30 VAL A O 1 ATOM 214 C CB . VAL A 1 30 ? -10.780 -16.280 9.164 1.00 16.50 ? 30 VAL A CB 1 ATOM 215 C CG1 . VAL A 1 30 ? -10.407 -17.487 9.991 1.00 15.33 ? 30 VAL A CG1 1 ATOM 216 C CG2 . VAL A 1 30 ? -10.023 -15.047 9.647 1.00 13.56 ? 30 VAL A CG2 1 ATOM 217 N N . TRP A 1 31 ? -10.670 -18.870 6.982 1.00 14.97 ? 31 TRP A N 1 ATOM 218 C CA . TRP A 1 31 ? -11.350 -20.098 6.497 1.00 17.05 ? 31 TRP A CA 1 ATOM 219 C C . TRP A 1 31 ? -11.156 -21.198 7.476 1.00 18.56 ? 31 TRP A C 1 ATOM 220 O O . TRP A 1 31 ? -10.061 -21.352 8.010 1.00 19.76 ? 31 TRP A O 1 ATOM 221 C CB . TRP A 1 31 ? -10.652 -20.570 5.180 1.00 15.89 ? 31 TRP A CB 1 ATOM 222 C CG . TRP A 1 31 ? -10.790 -19.527 4.103 1.00 16.13 ? 31 TRP A CG 1 ATOM 223 C CD1 . TRP A 1 31 ? -9.901 -18.501 3.826 1.00 18.58 ? 31 TRP A CD1 1 ATOM 224 C CD2 . TRP A 1 31 ? -11.828 -19.420 3.125 1.00 16.10 ? 31 TRP A CD2 1 ATOM 225 N NE1 . TRP A 1 31 ? -10.350 -17.765 2.724 1.00 20.36 ? 31 TRP A NE1 1 ATOM 226 C CE2 . TRP A 1 31 ? -11.557 -18.286 2.312 1.00 18.39 ? 31 TRP A CE2 1 ATOM 227 C CE3 . TRP A 1 31 ? -13.031 -20.132 2.913 1.00 14.79 ? 31 TRP A CE3 1 ATOM 228 C CZ2 . TRP A 1 31 ? -12.411 -17.907 1.211 1.00 17.71 ? 31 TRP A CZ2 1 ATOM 229 C CZ3 . TRP A 1 31 ? -13.879 -19.765 1.860 1.00 15.54 ? 31 TRP A CZ3 1 ATOM 230 C CH2 . TRP A 1 31 ? -13.598 -18.640 1.050 1.00 18.13 ? 31 TRP A CH2 1 ATOM 231 N N . LEU A 1 32 ? -12.207 -21.996 7.713 1.00 17.14 ? 32 LEU A N 1 ATOM 232 C CA . LEU A 1 32 ? -12.036 -23.275 8.375 1.00 17.99 ? 32 LEU A CA 1 ATOM 233 C C . LEU A 1 32 ? -12.355 -24.297 7.300 1.00 18.19 ? 32 LEU A C 1 ATOM 234 O O . LEU A 1 32 ? -13.516 -24.433 6.796 1.00 16.19 ? 32 LEU A O 1 ATOM 235 C CB . LEU A 1 32 ? -12.987 -23.372 9.596 1.00 17.38 ? 32 LEU A CB 1 ATOM 236 C CG . LEU A 1 32 ? -12.948 -24.698 10.303 1.00 19.34 ? 32 LEU A CG 1 ATOM 237 C CD1 . LEU A 1 32 ? -11.534 -25.101 10.756 1.00 18.76 ? 32 LEU A CD1 1 ATOM 238 C CD2 . LEU A 1 32 ? -13.937 -24.775 11.464 1.00 18.51 ? 32 LEU A CD2 1 ATOM 239 N N . GLY A 1 33 ? -11.315 -24.998 6.861 1.00 17.43 ? 33 GLY A N 1 ATOM 240 C CA . GLY A 1 33 ? -11.500 -25.828 5.655 1.00 18.49 ? 33 GLY A CA 1 ATOM 241 C C . GLY A 1 33 ? -11.835 -24.962 4.474 1.00 17.86 ? 33 GLY A C 1 ATOM 242 O O . GLY A 1 33 ? -11.150 -23.943 4.161 1.00 17.36 ? 33 GLY A O 1 ATOM 243 N N . ASP A 1 34 ? -12.921 -25.326 3.794 1.00 17.07 ? 34 ASP A N 1 ATOM 244 C CA . ASP A 1 34 ? -13.385 -24.455 2.670 1.00 16.97 ? 34 ASP A CA 1 ATOM 245 C C . ASP A 1 34 ? -14.548 -23.525 2.998 1.00 15.93 ? 34 ASP A C 1 ATOM 246 O O . ASP A 1 34 ? -15.179 -23.027 2.063 1.00 16.15 ? 34 ASP A O 1 ATOM 247 C CB . ASP A 1 34 ? -13.744 -25.324 1.408 1.00 15.26 ? 34 ASP A CB 1 ATOM 248 C CG . ASP A 1 34 ? -14.759 -26.441 1.736 1.00 16.05 ? 34 ASP A CG 1 ATOM 249 O OD1 . ASP A 1 34 ? -15.395 -26.379 2.873 1.00 16.56 ? 34 ASP A OD1 1 ATOM 250 O OD2 . ASP A 1 34 ? -15.068 -27.259 0.890 1.00 16.89 ? 34 ASP A OD2 1 ATOM 251 N N . LEU A 1 35 ? -14.821 -23.281 4.296 1.00 13.97 ? 35 LEU A N 1 ATOM 252 C CA . LEU A 1 35 ? -15.957 -22.395 4.658 1.00 15.26 ? 35 LEU A CA 1 ATOM 253 C C . LEU A 1 35 ? -15.371 -21.135 5.297 1.00 14.73 ? 35 LEU A C 1 ATOM 254 O O . LEU A 1 35 ? -14.534 -21.252 6.201 1.00 16.30 ? 35 LEU A O 1 ATOM 255 C CB . LEU A 1 35 ? -16.882 -23.080 5.721 1.00 14.95 ? 35 LEU A CB 1 ATOM 256 C CG . LEU A 1 35 ? -17.643 -24.347 5.232 1.00 14.08 ? 35 LEU A CG 1 ATOM 257 C CD1 . LEU A 1 35 ? -18.510 -24.768 6.397 1.00 18.12 ? 35 LEU A CD1 1 ATOM 258 C CD2 . LEU A 1 35 ? -18.430 -24.142 3.957 1.00 15.93 ? 35 LEU A CD2 1 ATOM 259 N N . GLN A 1 36 ? -15.791 -19.961 4.831 1.00 17.26 ? 36 GLN A N 1 ATOM 260 C CA . GLN A 1 36 ? -15.305 -18.722 5.398 1.00 16.98 ? 36 GLN A CA 1 ATOM 261 C C . GLN A 1 36 ? -15.986 -18.443 6.719 1.00 19.52 ? 36 GLN A C 1 ATOM 262 O O . GLN A 1 36 ? -17.189 -18.575 6.830 1.00 16.05 ? 36 GLN A O 1 ATOM 263 C CB . GLN A 1 36 ? -15.533 -17.575 4.426 1.00 17.47 ? 36 GLN A CB 1 ATOM 264 C CG . GLN A 1 36 ? -15.002 -16.288 4.966 1.00 16.62 ? 36 GLN A CG 1 ATOM 265 C CD . GLN A 1 36 ? -15.157 -15.158 3.988 1.00 19.50 ? 36 GLN A CD 1 ATOM 266 O OE1 . GLN A 1 36 ? -15.704 -15.342 2.890 1.00 21.63 ? 36 GLN A OE1 1 ATOM 267 N NE2 . GLN A 1 36 ? -14.608 -13.979 4.343 1.00 14.34 ? 36 GLN A NE2 1 ATOM 268 N N . THR A 1 37 ? -15.173 -18.053 7.701 1.00 17.53 ? 37 THR A N 1 ATOM 269 C CA . THR A 1 37 ? -15.707 -17.813 9.093 1.00 16.41 ? 37 THR A CA 1 ATOM 270 C C . THR A 1 37 ? -15.611 -16.333 9.550 1.00 16.92 ? 37 THR A C 1 ATOM 271 O O . THR A 1 37 ? -16.421 -15.886 10.400 1.00 17.53 ? 37 THR A O 1 ATOM 272 C CB . THR A 1 37 ? -15.001 -18.679 10.104 1.00 15.55 ? 37 THR A CB 1 ATOM 273 O OG1 . THR A 1 37 ? -13.577 -18.434 10.087 1.00 16.24 ? 37 THR A OG1 1 ATOM 274 C CG2 . THR A 1 37 ? -15.275 -20.163 9.873 1.00 17.14 ? 37 THR A CG2 1 ATOM 275 N N . HIS A 1 38 ? -14.659 -15.607 9.008 1.00 15.10 ? 38 HIS A N 1 ATOM 276 C CA . HIS A 1 38 ? -14.509 -14.148 9.315 1.00 16.02 ? 38 HIS A CA 1 ATOM 277 C C . HIS A 1 38 ? -14.050 -13.355 8.149 1.00 15.06 ? 38 HIS A C 1 ATOM 278 O O . HIS A 1 38 ? -13.424 -13.916 7.162 1.00 16.39 ? 38 HIS A O 1 ATOM 279 C CB . HIS A 1 38 ? -13.441 -13.941 10.465 1.00 15.86 ? 38 HIS A CB 1 ATOM 280 C CG . HIS A 1 38 ? -13.685 -14.772 11.685 1.00 17.30 ? 38 HIS A CG 1 ATOM 281 N ND1 . HIS A 1 38 ? -13.463 -16.134 11.748 1.00 16.21 ? 38 HIS A ND1 1 ATOM 282 C CD2 . HIS A 1 38 ? -14.170 -14.424 12.897 1.00 16.37 ? 38 HIS A CD2 1 ATOM 283 C CE1 . HIS A 1 38 ? -13.796 -16.592 12.953 1.00 15.85 ? 38 HIS A CE1 1 ATOM 284 N NE2 . HIS A 1 38 ? -14.233 -15.578 13.665 1.00 16.90 ? 38 HIS A NE2 1 ATOM 285 N N . ARG A 1 39 ? -14.305 -12.051 8.194 1.00 15.31 ? 39 ARG A N 1 ATOM 286 C CA . ARG A 1 39 ? -13.609 -11.128 7.298 1.00 17.60 ? 39 ARG A CA 1 ATOM 287 C C . ARG A 1 39 ? -13.196 -9.960 8.163 1.00 18.00 ? 39 ARG A C 1 ATOM 288 O O . ARG A 1 39 ? -13.884 -9.618 9.132 1.00 16.71 ? 39 ARG A O 1 ATOM 289 C CB . ARG A 1 39 ? -14.511 -10.613 6.109 1.00 16.91 ? 39 ARG A CB 1 ATOM 290 C CG . ARG A 1 39 ? -15.744 -9.770 6.504 1.00 19.81 ? 39 ARG A CG 1 ATOM 291 C CD . ARG A 1 39 ? -16.474 -9.175 5.274 1.00 19.38 ? 39 ARG A CD 1 ATOM 292 N NE . ARG A 1 39 ? -16.861 -10.304 4.410 1.00 22.32 ? 39 ARG A NE 1 ATOM 293 C CZ . ARG A 1 39 ? -18.014 -10.937 4.465 1.00 19.32 ? 39 ARG A CZ 1 ATOM 294 N NH1 . ARG A 1 39 ? -18.961 -10.574 5.362 1.00 22.97 ? 39 ARG A NH1 1 ATOM 295 N NH2 . ARG A 1 39 ? -18.185 -11.996 3.681 1.00 24.81 ? 39 ARG A NH2 1 ATOM 296 N N . TRP A 1 40 ? -12.095 -9.334 7.808 1.00 16.38 ? 40 TRP A N 1 ATOM 297 C CA . TRP A 1 40 ? -11.740 -8.109 8.527 1.00 16.53 ? 40 TRP A CA 1 ATOM 298 C C . TRP A 1 40 ? -11.261 -7.086 7.546 1.00 18.09 ? 40 TRP A C 1 ATOM 299 O O . TRP A 1 40 ? -10.115 -7.080 7.126 1.00 16.89 ? 40 TRP A O 1 ATOM 300 C CB . TRP A 1 40 ? -10.739 -8.398 9.617 1.00 16.55 ? 40 TRP A CB 1 ATOM 301 C CG . TRP A 1 40 ? -10.535 -7.248 10.545 1.00 15.90 ? 40 TRP A CG 1 ATOM 302 C CD1 . TRP A 1 40 ? -11.385 -6.167 10.731 1.00 17.36 ? 40 TRP A CD1 1 ATOM 303 C CD2 . TRP A 1 40 ? -9.413 -7.029 11.438 1.00 17.08 ? 40 TRP A CD2 1 ATOM 304 N NE1 . TRP A 1 40 ? -10.883 -5.340 11.718 1.00 20.05 ? 40 TRP A NE1 1 ATOM 305 C CE2 . TRP A 1 40 ? -9.685 -5.837 12.170 1.00 19.65 ? 40 TRP A CE2 1 ATOM 306 C CE3 . TRP A 1 40 ? -8.238 -7.743 11.717 1.00 18.10 ? 40 TRP A CE3 1 ATOM 307 C CZ2 . TRP A 1 40 ? -8.790 -5.288 13.101 1.00 18.41 ? 40 TRP A CZ2 1 ATOM 308 C CZ3 . TRP A 1 40 ? -7.345 -7.190 12.680 1.00 19.57 ? 40 TRP A CZ3 1 ATOM 309 C CH2 . TRP A 1 40 ? -7.632 -5.976 13.340 1.00 20.00 ? 40 TRP A CH2 1 ATOM 310 N N . SER A 1 41 ? -12.208 -6.215 7.126 1.00 15.86 ? 41 SER A N 1 ATOM 311 C CA . SER A 1 41 ? -11.902 -5.178 6.185 1.00 17.91 ? 41 SER A CA 1 ATOM 312 C C . SER A 1 41 ? -11.016 -4.103 6.790 1.00 17.77 ? 41 SER A C 1 ATOM 313 O O . SER A 1 41 ? -11.132 -3.796 7.982 1.00 18.70 ? 41 SER A O 1 ATOM 314 C CB . SER A 1 41 ? -13.236 -4.470 5.710 1.00 18.69 ? 41 SER A CB 1 ATOM 315 O OG . SER A 1 41 ? -12.835 -3.399 4.852 1.00 26.29 ? 41 SER A OG 1 ATOM 316 N N . ASN A 1 42 ? -10.141 -3.494 5.979 1.00 19.28 ? 42 ASN A N 1 ATOM 317 C CA . ASN A 1 42 ? -9.436 -2.323 6.404 1.00 18.76 ? 42 ASN A CA 1 ATOM 318 C C . ASN A 1 42 ? -10.398 -1.266 6.943 1.00 19.84 ? 42 ASN A C 1 ATOM 319 O O . ASN A 1 42 ? -10.038 -0.562 7.878 1.00 19.89 ? 42 ASN A O 1 ATOM 320 C CB . ASN A 1 42 ? -8.658 -1.684 5.281 1.00 18.95 ? 42 ASN A CB 1 ATOM 321 C CG . ASN A 1 42 ? -7.649 -0.727 5.802 1.00 17.11 ? 42 ASN A CG 1 ATOM 322 O OD1 . ASN A 1 42 ? -6.546 -1.079 6.271 1.00 16.01 ? 42 ASN A OD1 1 ATOM 323 N ND2 . ASN A 1 42 ? -8.011 0.574 5.723 1.00 17.77 ? 42 ASN A ND2 1 ATOM 324 N N . ASP A 1 43 ? -11.581 -1.198 6.332 1.00 19.50 ? 43 ASP A N 1 ATOM 325 C CA . ASP A 1 43 ? -12.579 -0.094 6.539 1.00 20.46 ? 43 ASP A CA 1 ATOM 326 C C . ASP A 1 43 ? -13.241 -0.257 7.883 1.00 19.37 ? 43 ASP A C 1 ATOM 327 O O . ASP A 1 43 ? -14.021 0.645 8.322 1.00 21.70 ? 43 ASP A O 1 ATOM 328 C CB . ASP A 1 43 ? -13.705 -0.244 5.512 1.00 23.07 ? 43 ASP A CB 1 ATOM 329 C CG . ASP A 1 43 ? -13.331 0.278 4.146 1.00 28.53 ? 43 ASP A CG 1 ATOM 330 O OD1 . ASP A 1 43 ? -14.122 0.033 3.207 1.00 38.67 ? 43 ASP A OD1 1 ATOM 331 O OD2 . ASP A 1 43 ? -12.308 0.985 4.005 1.00 32.00 ? 43 ASP A OD2 1 ATOM 332 N N . SER A 1 44 ? -12.988 -1.404 8.512 1.00 19.00 ? 44 SER A N 1 ATOM 333 C CA . SER A 1 44 ? -13.669 -1.819 9.734 1.00 19.62 ? 44 SER A CA 1 ATOM 334 C C . SER A 1 44 ? -12.845 -1.838 11.003 1.00 19.51 ? 44 SER A C 1 ATOM 335 O O . SER A 1 44 ? -11.722 -2.351 11.054 1.00 18.76 ? 44 SER A O 1 ATOM 336 C CB . SER A 1 44 ? -14.361 -3.162 9.570 1.00 21.75 ? 44 SER A CB 1 ATOM 337 O OG . SER A 1 44 ? -15.050 -3.473 10.786 1.00 26.64 ? 44 SER A OG 1 ATOM 338 N N . ALA A 1 45 ? -13.412 -1.285 12.070 1.00 19.02 ? 45 ALA A N 1 ATOM 339 C CA . ALA A 1 45 ? -12.693 -1.301 13.316 1.00 20.83 ? 45 ALA A CA 1 ATOM 340 C C . ALA A 1 45 ? -12.641 -2.710 13.878 1.00 20.52 ? 45 ALA A C 1 ATOM 341 O O . ALA A 1 45 ? -11.686 -3.083 14.540 1.00 22.43 ? 45 ALA A O 1 ATOM 342 C CB . ALA A 1 45 ? -13.374 -0.290 14.342 1.00 20.77 ? 45 ALA A CB 1 ATOM 343 N N . THR A 1 46 ? -13.662 -3.490 13.613 1.00 21.84 ? 46 THR A N 1 ATOM 344 C CA . THR A 1 46 ? -13.820 -4.803 14.253 1.00 22.39 ? 46 THR A CA 1 ATOM 345 C C . THR A 1 46 ? -13.935 -5.990 13.232 1.00 22.78 ? 46 THR A C 1 ATOM 346 O O . THR A 1 46 ? -14.339 -5.816 12.074 1.00 22.33 ? 46 THR A O 1 ATOM 347 C CB . THR A 1 46 ? -15.096 -4.894 15.094 1.00 23.59 ? 46 THR A CB 1 ATOM 348 O OG1 . THR A 1 46 ? -16.250 -4.609 14.288 1.00 25.34 ? 46 THR A OG1 1 ATOM 349 C CG2 . THR A 1 46 ? -15.101 -3.861 16.302 1.00 27.54 ? 46 THR A CG2 1 ATOM 350 N N . ILE A 1 47 ? -13.694 -7.188 13.733 1.00 20.69 ? 47 ILE A N 1 ATOM 351 C CA . ILE A 1 47 ? -13.603 -8.364 12.874 1.00 20.31 ? 47 ILE A CA 1 ATOM 352 C C . ILE A 1 47 ? -15.008 -8.826 12.669 1.00 19.70 ? 47 ILE A C 1 ATOM 353 O O . ILE A 1 47 ? -15.832 -8.857 13.635 1.00 21.05 ? 47 ILE A O 1 ATOM 354 C CB . ILE A 1 47 ? -12.738 -9.467 13.556 1.00 20.11 ? 47 ILE A CB 1 ATOM 355 C CG1 . ILE A 1 47 ? -11.279 -9.065 13.713 1.00 21.36 ? 47 ILE A CG1 1 ATOM 356 C CG2 . ILE A 1 47 ? -12.887 -10.873 12.858 1.00 23.03 ? 47 ILE A CG2 1 ATOM 357 C CD1 . ILE A 1 47 ? -10.642 -9.866 14.873 1.00 19.25 ? 47 ILE A CD1 1 ATOM 358 N N . SER A 1 48 ? -15.381 -9.052 11.407 1.00 16.89 ? 48 SER A N 1 ATOM 359 C CA . SER A 1 48 ? -16.760 -9.371 11.080 1.00 17.59 ? 48 SER A CA 1 ATOM 360 C C . SER A 1 48 ? -16.970 -10.897 11.112 1.00 17.39 ? 48 SER A C 1 ATOM 361 O O . SER A 1 48 ? -16.082 -11.683 10.658 1.00 17.89 ? 48 SER A O 1 ATOM 362 C CB . SER A 1 48 ? -17.113 -8.807 9.727 1.00 19.19 ? 48 SER A CB 1 ATOM 363 O OG . SER A 1 48 ? -16.855 -7.397 9.721 1.00 24.51 ? 48 SER A OG 1 ATOM 364 N N . PHE A 1 49 ? -18.147 -11.330 11.591 1.00 17.82 ? 49 PHE A N 1 ATOM 365 C CA . PHE A 1 49 ? -18.546 -12.775 11.599 1.00 18.05 ? 49 PHE A CA 1 ATOM 366 C C . PHE A 1 49 ? -19.260 -13.174 10.317 1.00 17.52 ? 49 PHE A C 1 ATOM 367 O O . PHE A 1 49 ? -20.181 -12.462 9.872 1.00 19.54 ? 49 PHE A O 1 ATOM 368 C CB . PHE A 1 49 ? -19.484 -13.124 12.783 1.00 17.69 ? 49 PHE A CB 1 ATOM 369 C CG . PHE A 1 49 ? -18.868 -12.924 14.124 1.00 17.52 ? 49 PHE A CG 1 ATOM 370 C CD1 . PHE A 1 49 ? -17.489 -12.863 14.296 1.00 18.25 ? 49 PHE A CD1 1 ATOM 371 C CD2 . PHE A 1 49 ? -19.670 -12.812 15.260 1.00 19.97 ? 49 PHE A CD2 1 ATOM 372 C CE1 . PHE A 1 49 ? -16.903 -12.702 15.578 1.00 19.68 ? 49 PHE A CE1 1 ATOM 373 C CE2 . PHE A 1 49 ? -19.070 -12.622 16.515 1.00 17.58 ? 49 PHE A CE2 1 ATOM 374 C CZ . PHE A 1 49 ? -17.682 -12.578 16.674 1.00 17.60 ? 49 PHE A CZ 1 ATOM 375 N N . THR A 1 50 ? -18.843 -14.270 9.694 1.00 18.10 ? 50 THR A N 1 ATOM 376 C CA . THR A 1 50 ? -19.579 -14.738 8.491 1.00 17.91 ? 50 THR A CA 1 ATOM 377 C C . THR A 1 50 ? -20.411 -15.975 8.768 1.00 19.53 ? 50 THR A C 1 ATOM 378 O O . THR A 1 50 ? -21.118 -16.422 7.880 1.00 20.03 ? 50 THR A O 1 ATOM 379 C CB . THR A 1 50 ? -18.654 -14.933 7.264 1.00 20.30 ? 50 THR A CB 1 ATOM 380 O OG1 . THR A 1 50 ? -17.691 -15.955 7.531 1.00 16.17 ? 50 THR A OG1 1 ATOM 381 C CG2 . THR A 1 50 ? -17.873 -13.624 7.024 1.00 18.37 ? 50 THR A CG2 1 ATOM 382 N N . LYS A 1 51 ? -20.409 -16.465 10.009 1.00 17.72 ? 51 LYS A N 1 ATOM 383 C CA . LYS A 1 51 ? -21.254 -17.604 10.421 1.00 17.62 ? 51 LYS A CA 1 ATOM 384 C C . LYS A 1 51 ? -21.832 -17.257 11.778 1.00 16.35 ? 51 LYS A C 1 ATOM 385 O O . LYS A 1 51 ? -21.244 -16.459 12.510 1.00 14.93 ? 51 LYS A O 1 ATOM 386 C CB . LYS A 1 51 ? -20.369 -18.849 10.536 1.00 14.84 ? 51 LYS A CB 1 ATOM 387 C CG . LYS A 1 51 ? -19.777 -19.313 9.140 1.00 17.11 ? 51 LYS A CG 1 ATOM 388 C CD . LYS A 1 51 ? -20.904 -20.090 8.357 1.00 17.87 ? 51 LYS A CD 1 ATOM 389 C CE . LYS A 1 51 ? -20.222 -20.614 7.071 1.00 18.48 ? 51 LYS A CE 1 ATOM 390 N NZ . LYS A 1 51 ? -19.843 -19.475 6.156 1.00 20.61 ? 51 LYS A NZ 1 ATOM 391 N N . PRO A 1 52 ? -22.969 -17.868 12.142 1.00 16.11 ? 52 PRO A N 1 ATOM 392 C CA . PRO A 1 52 ? -23.574 -17.656 13.478 1.00 17.08 ? 52 PRO A CA 1 ATOM 393 C C . PRO A 1 52 ? -22.660 -18.223 14.573 1.00 15.81 ? 52 PRO A C 1 ATOM 394 O O . PRO A 1 52 ? -22.732 -17.787 15.693 1.00 15.86 ? 52 PRO A O 1 ATOM 395 C CB . PRO A 1 52 ? -24.880 -18.452 13.420 1.00 18.41 ? 52 PRO A CB 1 ATOM 396 C CG . PRO A 1 52 ? -24.762 -19.339 12.223 1.00 16.59 ? 52 PRO A CG 1 ATOM 397 C CD . PRO A 1 52 ? -23.766 -18.747 11.267 1.00 18.25 ? 52 PRO A CD 1 ATOM 398 N N . TRP A 1 53 ? -21.750 -19.118 14.186 1.00 16.03 ? 53 TRP A N 1 ATOM 399 C CA . TRP A 1 53 ? -20.807 -19.762 15.109 1.00 15.93 ? 53 TRP A CA 1 ATOM 400 C C . TRP A 1 53 ? -19.363 -19.209 15.048 1.00 15.53 ? 53 TRP A C 1 ATOM 401 O O . TRP A 1 53 ? -18.461 -19.846 15.619 1.00 15.98 ? 53 TRP A O 1 ATOM 402 C CB . TRP A 1 53 ? -20.803 -21.281 14.875 1.00 16.94 ? 53 TRP A CB 1 ATOM 403 C CG . TRP A 1 53 ? -20.767 -21.708 13.373 1.00 17.05 ? 53 TRP A CG 1 ATOM 404 C CD1 . TRP A 1 53 ? -21.830 -21.968 12.519 1.00 19.03 ? 53 TRP A CD1 1 ATOM 405 C CD2 . TRP A 1 53 ? -19.581 -22.014 12.619 1.00 15.92 ? 53 TRP A CD2 1 ATOM 406 N NE1 . TRP A 1 53 ? -21.365 -22.357 11.264 1.00 18.66 ? 53 TRP A NE1 1 ATOM 407 C CE2 . TRP A 1 53 ? -19.983 -22.378 11.317 1.00 19.07 ? 53 TRP A CE2 1 ATOM 408 C CE3 . TRP A 1 53 ? -18.214 -21.965 12.915 1.00 20.11 ? 53 TRP A CE3 1 ATOM 409 C CZ2 . TRP A 1 53 ? -19.072 -22.738 10.331 1.00 16.88 ? 53 TRP A CZ2 1 ATOM 410 C CZ3 . TRP A 1 53 ? -17.307 -22.317 11.921 1.00 21.00 ? 53 TRP A CZ3 1 ATOM 411 C CH2 . TRP A 1 53 ? -17.751 -22.704 10.634 1.00 18.69 ? 53 TRP A CH2 1 ATOM 412 N N . SER A 1 54 ? -19.160 -18.027 14.416 1.00 16.33 ? 54 SER A N 1 ATOM 413 C CA . SER A 1 54 ? -17.823 -17.459 14.236 1.00 15.38 ? 54 SER A CA 1 ATOM 414 C C . SER A 1 54 ? -17.055 -17.115 15.521 1.00 16.18 ? 54 SER A C 1 ATOM 415 O O . SER A 1 54 ? -15.834 -17.053 15.477 1.00 17.76 ? 54 SER A O 1 ATOM 416 C CB . SER A 1 54 ? -17.851 -16.280 13.283 1.00 16.80 ? 54 SER A CB 1 ATOM 417 O OG . SER A 1 54 ? -18.154 -16.754 11.966 1.00 16.42 ? 54 SER A OG 1 ATOM 418 N N . GLN A 1 55 ? -17.791 -16.942 16.635 1.00 16.68 ? 55 GLN A N 1 ATOM 419 C CA . GLN A 1 55 ? -17.119 -16.668 17.897 1.00 17.25 ? 55 GLN A CA 1 ATOM 420 C C . GLN A 1 55 ? -16.668 -17.977 18.585 1.00 18.60 ? 55 GLN A C 1 ATOM 421 O O . GLN A 1 55 ? -16.124 -17.963 19.694 1.00 18.77 ? 55 GLN A O 1 ATOM 422 C CB . GLN A 1 55 ? -18.056 -15.872 18.789 1.00 18.62 ? 55 GLN A CB 1 ATOM 423 C CG . GLN A 1 55 ? -17.361 -15.154 19.928 1.00 18.16 ? 55 GLN A CG 1 ATOM 424 C CD . GLN A 1 55 ? -18.317 -14.200 20.605 1.00 23.14 ? 55 GLN A CD 1 ATOM 425 O OE1 . GLN A 1 55 ? -18.925 -13.335 19.953 1.00 19.64 ? 55 GLN A OE1 1 ATOM 426 N NE2 . GLN A 1 55 ? -18.476 -14.358 21.905 1.00 20.27 ? 55 GLN A NE2 1 ATOM 427 N N . GLY A 1 56 ? -16.960 -19.100 17.962 1.00 18.38 ? 56 GLY A N 1 ATOM 428 C CA . GLY A 1 56 ? -16.616 -20.410 18.556 1.00 17.98 ? 56 GLY A CA 1 ATOM 429 C C . GLY A 1 56 ? -17.265 -20.517 19.963 1.00 20.10 ? 56 GLY A C 1 ATOM 430 O O . GLY A 1 56 ? -18.453 -20.142 20.175 1.00 20.54 ? 56 GLY A O 1 ATOM 431 N N . LYS A 1 57 ? -16.468 -20.991 20.907 1.00 20.35 ? 57 LYS A N 1 ATOM 432 C CA . LYS A 1 57 ? -16.946 -21.137 22.311 1.00 21.63 ? 57 LYS A CA 1 ATOM 433 C C . LYS A 1 57 ? -16.441 -20.019 23.220 1.00 22.90 ? 57 LYS A C 1 ATOM 434 O O . LYS A 1 57 ? -16.571 -20.112 24.459 1.00 23.04 ? 57 LYS A O 1 ATOM 435 C CB . LYS A 1 57 ? -16.529 -22.502 22.833 1.00 22.23 ? 57 LYS A CB 1 ATOM 436 C CG . LYS A 1 57 ? -17.258 -23.620 22.055 1.00 25.76 ? 57 LYS A CG 1 ATOM 437 C CD . LYS A 1 57 ? -16.855 -24.988 22.576 1.00 26.25 ? 57 LYS A CD 1 ATOM 438 C CE . LYS A 1 57 ? -17.516 -25.278 23.895 1.00 31.96 ? 57 LYS A CE 1 ATOM 439 N NZ . LYS A 1 57 ? -17.113 -26.620 24.308 1.00 33.67 ? 57 LYS A NZ 1 ATOM 440 N N . LEU A 1 58 ? -15.872 -18.974 22.642 1.00 22.64 ? 58 LEU A N 1 ATOM 441 C CA . LEU A 1 58 ? -15.351 -17.872 23.456 1.00 23.03 ? 58 LEU A CA 1 ATOM 442 C C . LEU A 1 58 ? -16.497 -16.983 23.927 1.00 21.92 ? 58 LEU A C 1 ATOM 443 O O . LEU A 1 58 ? -17.462 -16.744 23.167 1.00 22.15 ? 58 LEU A O 1 ATOM 444 C CB . LEU A 1 58 ? -14.353 -17.030 22.660 1.00 21.36 ? 58 LEU A CB 1 ATOM 445 C CG . LEU A 1 58 ? -13.066 -17.696 22.068 1.00 23.01 ? 58 LEU A CG 1 ATOM 446 C CD1 . LEU A 1 58 ? -12.028 -16.630 21.683 1.00 24.27 ? 58 LEU A CD1 1 ATOM 447 C CD2 . LEU A 1 58 ? -12.437 -18.634 22.982 1.00 25.79 ? 58 LEU A CD2 1 ATOM 448 N N . SER A 1 59 ? -16.401 -16.481 25.175 1.00 22.73 ? 59 SER A N 1 ATOM 449 C CA . SER A 1 59 ? -17.403 -15.528 25.700 1.00 22.15 ? 59 SER A CA 1 ATOM 450 C C . SER A 1 59 ? -17.190 -14.163 25.028 1.00 23.32 ? 59 SER A C 1 ATOM 451 O O . SER A 1 59 ? -16.125 -13.899 24.398 1.00 21.76 ? 59 SER A O 1 ATOM 452 C CB . SER A 1 59 ? -17.193 -15.321 27.202 1.00 22.28 ? 59 SER A CB 1 ATOM 453 O OG . SER A 1 59 ? -15.858 -14.865 27.437 1.00 23.58 ? 59 SER A OG 1 ATOM 454 N N . ASN A 1 60 ? -18.169 -13.268 25.166 1.00 23.21 ? 60 ASN A N 1 ATOM 455 C CA . ASN A 1 60 ? -17.985 -11.941 24.551 1.00 23.71 ? 60 ASN A CA 1 ATOM 456 C C . ASN A 1 60 ? -16.717 -11.298 25.090 1.00 22.83 ? 60 ASN A C 1 ATOM 457 O O . ASN A 1 60 ? -15.911 -10.709 24.355 1.00 22.11 ? 60 ASN A O 1 ATOM 458 C CB . ASN A 1 60 ? -19.195 -11.020 24.801 1.00 24.01 ? 60 ASN A CB 1 ATOM 459 C CG . ASN A 1 60 ? -20.423 -11.434 24.023 1.00 26.08 ? 60 ASN A CG 1 ATOM 460 O OD1 . ASN A 1 60 ? -20.446 -12.460 23.312 1.00 21.70 ? 60 ASN A OD1 1 ATOM 461 N ND2 . ASN A 1 60 ? -21.492 -10.652 24.187 1.00 27.20 ? 60 ASN A ND2 1 ATOM 462 N N . GLN A 1 61 ? -16.505 -11.421 26.392 1.00 22.88 ? 61 GLN A N 1 ATOM 463 C CA . GLN A 1 61 ? -15.272 -10.869 26.955 1.00 22.77 ? 61 GLN A CA 1 ATOM 464 C C . GLN A 1 61 ? -13.986 -11.502 26.378 1.00 21.52 ? 61 GLN A C 1 ATOM 465 O O . GLN A 1 61 ? -12.986 -10.839 26.125 1.00 21.18 ? 61 GLN A O 1 ATOM 466 C CB . GLN A 1 61 ? -15.280 -10.895 28.497 1.00 22.49 ? 61 GLN A CB 1 ATOM 467 C CG . GLN A 1 61 ? -14.530 -9.682 29.066 1.00 28.39 ? 61 GLN A CG 1 ATOM 468 C CD . GLN A 1 61 ? -13.267 -9.973 29.910 1.00 35.37 ? 61 GLN A CD 1 ATOM 469 O OE1 . GLN A 1 61 ? -13.347 -10.176 31.131 1.00 37.66 ? 61 GLN A OE1 1 ATOM 470 N NE2 . GLN A 1 61 ? -12.100 -9.891 29.281 1.00 38.30 ? 61 GLN A NE2 1 ATOM 471 N N . GLN A 1 62 ? -13.973 -12.796 26.203 1.00 21.11 ? 62 GLN A N 1 ATOM 472 C CA . GLN A 1 62 ? -12.729 -13.385 25.752 1.00 22.68 ? 62 GLN A CA 1 ATOM 473 C C . GLN A 1 62 ? -12.546 -12.986 24.238 1.00 19.56 ? 62 GLN A C 1 ATOM 474 O O . GLN A 1 62 ? -11.451 -12.714 23.803 1.00 21.70 ? 62 GLN A O 1 ATOM 475 C CB . GLN A 1 62 ? -12.756 -14.918 25.926 1.00 24.32 ? 62 GLN A CB 1 ATOM 476 C CG . GLN A 1 62 ? -13.522 -15.439 27.151 1.00 30.07 ? 62 GLN A CG 1 ATOM 477 C CD . GLN A 1 62 ? -13.531 -16.986 27.240 1.00 33.21 ? 62 GLN A CD 1 ATOM 478 O OE1 . GLN A 1 62 ? -14.493 -17.644 26.843 1.00 28.01 ? 62 GLN A OE1 1 ATOM 479 N NE2 . GLN A 1 62 ? -12.446 -17.555 27.770 1.00 36.62 ? 62 GLN A NE2 1 ATOM 480 N N . TRP A 1 63 ? -13.643 -12.896 23.500 1.00 19.63 ? 63 TRP A N 1 ATOM 481 C CA . TRP A 1 63 ? -13.521 -12.559 22.059 1.00 19.61 ? 63 TRP A CA 1 ATOM 482 C C . TRP A 1 63 ? -12.986 -11.112 21.985 1.00 18.47 ? 63 TRP A C 1 ATOM 483 O O . TRP A 1 63 ? -12.116 -10.791 21.178 1.00 18.41 ? 63 TRP A O 1 ATOM 484 C CB . TRP A 1 63 ? -14.871 -12.683 21.354 1.00 19.58 ? 63 TRP A CB 1 ATOM 485 C CG . TRP A 1 63 ? -14.788 -12.190 19.941 1.00 21.28 ? 63 TRP A CG 1 ATOM 486 C CD1 . TRP A 1 63 ? -15.268 -10.999 19.427 1.00 24.33 ? 63 TRP A CD1 1 ATOM 487 C CD2 . TRP A 1 63 ? -14.076 -12.827 18.883 1.00 21.21 ? 63 TRP A CD2 1 ATOM 488 N NE1 . TRP A 1 63 ? -14.882 -10.875 18.095 1.00 20.84 ? 63 TRP A NE1 1 ATOM 489 C CE2 . TRP A 1 63 ? -14.175 -11.999 17.739 1.00 20.89 ? 63 TRP A CE2 1 ATOM 490 C CE3 . TRP A 1 63 ? -13.378 -14.033 18.790 1.00 20.78 ? 63 TRP A CE3 1 ATOM 491 C CZ2 . TRP A 1 63 ? -13.604 -12.351 16.505 1.00 19.95 ? 63 TRP A CZ2 1 ATOM 492 C CZ3 . TRP A 1 63 ? -12.789 -14.380 17.561 1.00 20.79 ? 63 TRP A CZ3 1 ATOM 493 C CH2 . TRP A 1 63 ? -12.916 -13.559 16.446 1.00 21.97 ? 63 TRP A CH2 1 ATOM 494 N N . GLU A 1 64 ? -13.543 -10.228 22.824 1.00 19.75 ? 64 GLU A N 1 ATOM 495 C CA . GLU A 1 64 ? -13.084 -8.816 22.847 1.00 20.74 ? 64 GLU A CA 1 ATOM 496 C C . GLU A 1 64 ? -11.592 -8.717 23.077 1.00 20.20 ? 64 GLU A C 1 ATOM 497 O O . GLU A 1 64 ? -10.947 -7.856 22.499 1.00 20.06 ? 64 GLU A O 1 ATOM 498 C CB . GLU A 1 64 ? -13.825 -7.975 23.910 1.00 20.30 ? 64 GLU A CB 1 ATOM 499 C CG . GLU A 1 64 ? -15.318 -8.204 23.894 1.00 29.35 ? 64 GLU A CG 1 ATOM 500 C CD . GLU A 1 64 ? -15.989 -7.989 22.518 1.00 36.29 ? 64 GLU A CD 1 ATOM 501 O OE1 . GLU A 1 64 ? -15.620 -7.006 21.806 1.00 38.26 ? 64 GLU A OE1 1 ATOM 502 O OE2 . GLU A 1 64 ? -16.919 -8.799 22.176 1.00 37.19 ? 64 GLU A OE2 1 ATOM 503 N N . LYS A 1 65 ? -11.067 -9.546 23.986 1.00 19.78 ? 65 LYS A N 1 ATOM 504 C CA . LYS A 1 65 ? -9.621 -9.525 24.307 1.00 21.49 ? 65 LYS A CA 1 ATOM 505 C C . LYS A 1 65 ? -8.816 -9.987 23.127 1.00 20.11 ? 65 LYS A C 1 ATOM 506 O O . LYS A 1 65 ? -7.760 -9.426 22.838 1.00 20.05 ? 65 LYS A O 1 ATOM 507 C CB . LYS A 1 65 ? -9.279 -10.456 25.471 1.00 20.74 ? 65 LYS A CB 1 ATOM 508 C CG . LYS A 1 65 ? -9.261 -9.755 26.832 1.00 25.76 ? 65 LYS A CG 1 ATOM 509 C CD . LYS A 1 65 ? -9.616 -10.788 27.882 1.00 28.82 ? 65 LYS A CD 1 ATOM 510 C CE . LYS A 1 65 ? -9.398 -10.268 29.248 1.00 35.41 ? 65 LYS A CE 1 ATOM 511 N NZ . LYS A 1 65 ? -9.584 -11.405 30.180 1.00 36.11 ? 65 LYS A NZ 1 ATOM 512 N N . LEU A 1 66 ? -9.262 -11.077 22.492 1.00 19.56 ? 66 LEU A N 1 ATOM 513 C CA . LEU A 1 66 ? -8.563 -11.580 21.296 1.00 19.29 ? 66 LEU A CA 1 ATOM 514 C C . LEU A 1 66 ? -8.650 -10.528 20.204 1.00 19.81 ? 66 LEU A C 1 ATOM 515 O O . LEU A 1 66 ? -7.650 -10.180 19.557 1.00 19.42 ? 66 LEU A O 1 ATOM 516 C CB . LEU A 1 66 ? -9.240 -12.877 20.835 1.00 20.22 ? 66 LEU A CB 1 ATOM 517 C CG . LEU A 1 66 ? -8.698 -13.754 19.715 1.00 19.80 ? 66 LEU A CG 1 ATOM 518 C CD1 . LEU A 1 66 ? -7.166 -14.023 20.046 1.00 26.40 ? 66 LEU A CD1 1 ATOM 519 C CD2 . LEU A 1 66 ? -9.474 -15.022 19.730 1.00 26.03 ? 66 LEU A CD2 1 ATOM 520 N N . GLN A 1 67 ? -9.848 -10.003 19.958 1.00 17.76 ? 67 GLN A N 1 ATOM 521 C CA . GLN A 1 67 ? -9.934 -8.947 18.938 1.00 19.16 ? 67 GLN A CA 1 ATOM 522 C C . GLN A 1 67 ? -9.036 -7.747 19.265 1.00 19.60 ? 67 GLN A C 1 ATOM 523 O O . GLN A 1 67 ? -8.418 -7.112 18.387 1.00 17.49 ? 67 GLN A O 1 ATOM 524 C CB . GLN A 1 67 ? -11.404 -8.514 18.758 1.00 18.61 ? 67 GLN A CB 1 ATOM 525 C CG . GLN A 1 67 ? -11.581 -7.327 17.846 1.00 21.36 ? 67 GLN A CG 1 ATOM 526 C CD . GLN A 1 67 ? -13.095 -7.021 17.657 1.00 21.09 ? 67 GLN A CD 1 ATOM 527 O OE1 . GLN A 1 67 ? -13.728 -7.405 16.648 1.00 23.55 ? 67 GLN A OE1 1 ATOM 528 N NE2 . GLN A 1 67 ? -13.687 -6.386 18.660 1.00 20.30 ? 67 GLN A NE2 1 ATOM 529 N N . HIS A 1 68 ? -8.963 -7.377 20.550 1.00 19.47 ? 68 HIS A N 1 ATOM 530 C CA . HIS A 1 68 ? -8.098 -6.264 20.925 1.00 20.01 ? 68 HIS A CA 1 ATOM 531 C C . HIS A 1 68 ? -6.639 -6.446 20.527 1.00 20.30 ? 68 HIS A C 1 ATOM 532 O O . HIS A 1 68 ? -6.002 -5.523 20.032 1.00 18.08 ? 68 HIS A O 1 ATOM 533 C CB . HIS A 1 68 ? -8.202 -5.992 22.459 1.00 20.99 ? 68 HIS A CB 1 ATOM 534 C CG . HIS A 1 68 ? -7.226 -4.948 22.945 1.00 26.79 ? 68 HIS A CG 1 ATOM 535 N ND1 . HIS A 1 68 ? -7.426 -3.598 22.752 1.00 30.32 ? 68 HIS A ND1 1 ATOM 536 C CD2 . HIS A 1 68 ? -6.031 -5.060 23.589 1.00 30.89 ? 68 HIS A CD2 1 ATOM 537 C CE1 . HIS A 1 68 ? -6.405 -2.919 23.258 1.00 31.20 ? 68 HIS A CE1 1 ATOM 538 N NE2 . HIS A 1 68 ? -5.543 -3.784 23.770 1.00 30.76 ? 68 HIS A NE2 1 ATOM 539 N N . MET A 1 69 ? -6.113 -7.630 20.785 1.00 20.36 ? 69 MET A N 1 ATOM 540 C CA . MET A 1 69 ? -4.772 -7.989 20.387 1.00 22.95 ? 69 MET A CA 1 ATOM 541 C C . MET A 1 69 ? -4.549 -7.777 18.871 1.00 21.95 ? 69 MET A C 1 ATOM 542 O O . MET A 1 69 ? -3.525 -7.242 18.463 1.00 20.89 ? 69 MET A O 1 ATOM 543 C CB . MET A 1 69 ? -4.480 -9.450 20.826 1.00 23.76 ? 69 MET A CB 1 ATOM 544 C CG . MET A 1 69 ? -3.144 -10.119 20.273 1.00 30.72 ? 69 MET A CG 1 ATOM 545 S SD . MET A 1 69 ? -3.079 -11.735 21.113 1.00 44.14 ? 69 MET A SD 1 ATOM 546 C CE . MET A 1 69 ? -4.241 -11.386 22.382 1.00 30.19 ? 69 MET A CE 1 ATOM 547 N N . PHE A 1 70 ? -5.531 -8.166 18.037 1.00 20.92 ? 70 PHE A N 1 ATOM 548 C CA . PHE A 1 70 ? -5.410 -8.030 16.586 1.00 19.33 ? 70 PHE A CA 1 ATOM 549 C C . PHE A 1 70 ? -5.495 -6.584 16.196 1.00 19.69 ? 70 PHE A C 1 ATOM 550 O O . PHE A 1 70 ? -4.828 -6.129 15.260 1.00 19.10 ? 70 PHE A O 1 ATOM 551 C CB . PHE A 1 70 ? -6.474 -8.912 15.895 1.00 19.22 ? 70 PHE A CB 1 ATOM 552 C CG . PHE A 1 70 ? -6.051 -10.364 15.889 1.00 23.53 ? 70 PHE A CG 1 ATOM 553 C CD1 . PHE A 1 70 ? -4.916 -10.742 15.183 1.00 28.33 ? 70 PHE A CD1 1 ATOM 554 C CD2 . PHE A 1 70 ? -6.701 -11.329 16.620 1.00 26.30 ? 70 PHE A CD2 1 ATOM 555 C CE1 . PHE A 1 70 ? -4.475 -12.087 15.187 1.00 33.09 ? 70 PHE A CE1 1 ATOM 556 C CE2 . PHE A 1 70 ? -6.255 -12.674 16.606 1.00 30.09 ? 70 PHE A CE2 1 ATOM 557 C CZ . PHE A 1 70 ? -5.159 -13.032 15.906 1.00 31.28 ? 70 PHE A CZ 1 ATOM 558 N N . GLN A 1 71 ? -6.378 -5.866 16.904 1.00 18.97 ? 71 GLN A N 1 ATOM 559 C CA . GLN A 1 71 ? -6.507 -4.447 16.666 1.00 19.79 ? 71 GLN A CA 1 ATOM 560 C C . GLN A 1 71 ? -5.166 -3.754 16.883 1.00 20.29 ? 71 GLN A C 1 ATOM 561 O O . GLN A 1 71 ? -4.772 -2.917 16.061 1.00 22.37 ? 71 GLN A O 1 ATOM 562 C CB . GLN A 1 71 ? -7.621 -3.840 17.550 1.00 18.54 ? 71 GLN A CB 1 ATOM 563 C CG . GLN A 1 71 ? -8.997 -4.008 16.955 1.00 19.13 ? 71 GLN A CG 1 ATOM 564 C CD . GLN A 1 71 ? -10.067 -3.671 17.954 1.00 20.87 ? 71 GLN A CD 1 ATOM 565 O OE1 . GLN A 1 71 ? -9.782 -3.562 19.151 1.00 21.59 ? 71 GLN A OE1 1 ATOM 566 N NE2 . GLN A 1 71 ? -11.278 -3.447 17.477 1.00 20.02 ? 71 GLN A NE2 1 ATOM 567 N N . VAL A 1 72 ? -4.494 -4.080 17.972 1.00 20.48 ? 72 VAL A N 1 ATOM 568 C CA . VAL A 1 72 ? -3.156 -3.497 18.244 1.00 20.27 ? 72 VAL A CA 1 ATOM 569 C C . VAL A 1 72 ? -2.107 -3.928 17.197 1.00 20.16 ? 72 VAL A C 1 ATOM 570 O O . VAL A 1 72 ? -1.346 -3.118 16.638 1.00 20.96 ? 72 VAL A O 1 ATOM 571 C CB . VAL A 1 72 ? -2.655 -3.859 19.657 1.00 19.40 ? 72 VAL A CB 1 ATOM 572 C CG1 . VAL A 1 72 ? -1.233 -3.258 19.841 1.00 20.79 ? 72 VAL A CG1 1 ATOM 573 C CG2 . VAL A 1 72 ? -3.601 -3.273 20.723 1.00 19.99 ? 72 VAL A CG2 1 ATOM 574 N N . TYR A 1 73 ? -2.174 -5.210 16.854 1.00 19.63 ? 73 TYR A N 1 ATOM 575 C CA . TYR A 1 73 ? -1.272 -5.801 15.849 1.00 20.34 ? 73 TYR A CA 1 ATOM 576 C C . TYR A 1 73 ? -1.473 -5.131 14.496 1.00 20.23 ? 73 TYR A C 1 ATOM 577 O O . TYR A 1 73 ? -0.518 -4.745 13.845 1.00 15.53 ? 73 TYR A O 1 ATOM 578 C CB . TYR A 1 73 ? -1.522 -7.322 15.785 1.00 17.99 ? 73 TYR A CB 1 ATOM 579 C CG . TYR A 1 73 ? -1.073 -7.907 14.454 1.00 20.43 ? 73 TYR A CG 1 ATOM 580 C CD1 . TYR A 1 73 ? 0.270 -8.038 14.154 1.00 19.97 ? 73 TYR A CD1 1 ATOM 581 C CD2 . TYR A 1 73 ? -2.003 -8.269 13.489 1.00 21.25 ? 73 TYR A CD2 1 ATOM 582 C CE1 . TYR A 1 73 ? 0.673 -8.496 12.901 1.00 18.35 ? 73 TYR A CE1 1 ATOM 583 C CE2 . TYR A 1 73 ? -1.582 -8.764 12.260 1.00 23.79 ? 73 TYR A CE2 1 ATOM 584 C CZ . TYR A 1 73 ? -0.263 -8.869 11.993 1.00 20.58 ? 73 TYR A CZ 1 ATOM 585 O OH . TYR A 1 73 ? 0.184 -9.318 10.754 1.00 23.81 ? 73 TYR A OH 1 ATOM 586 N N . ARG A 1 74 ? -2.734 -4.936 14.057 1.00 19.72 ? 74 ARG A N 1 ATOM 587 C CA . ARG A 1 74 ? -2.931 -4.378 12.719 1.00 19.02 ? 74 ARG A CA 1 ATOM 588 C C . ARG A 1 74 ? -2.285 -2.982 12.628 1.00 19.37 ? 74 ARG A C 1 ATOM 589 O O . ARG A 1 74 ? -1.600 -2.669 11.649 1.00 17.24 ? 74 ARG A O 1 ATOM 590 C CB . ARG A 1 74 ? -4.429 -4.348 12.321 1.00 18.19 ? 74 ARG A CB 1 ATOM 591 C CG . ARG A 1 74 ? -4.671 -3.785 10.956 1.00 20.34 ? 74 ARG A CG 1 ATOM 592 C CD . ARG A 1 74 ? -6.167 -4.007 10.522 1.00 20.48 ? 74 ARG A CD 1 ATOM 593 N NE . ARG A 1 74 ? -6.997 -3.046 11.274 1.00 24.45 ? 74 ARG A NE 1 ATOM 594 C CZ . ARG A 1 74 ? -8.275 -2.743 10.973 1.00 25.30 ? 74 ARG A CZ 1 ATOM 595 N NH1 . ARG A 1 74 ? -8.886 -3.339 9.955 1.00 26.93 ? 74 ARG A NH1 1 ATOM 596 N NH2 . ARG A 1 74 ? -8.949 -1.835 11.687 1.00 23.14 ? 74 ARG A NH2 1 ATOM 597 N N . VAL A 1 75 ? -2.524 -2.120 13.631 1.00 19.06 ? 75 VAL A N 1 ATOM 598 C CA . VAL A 1 75 ? -1.890 -0.795 13.618 1.00 18.10 ? 75 VAL A CA 1 ATOM 599 C C . VAL A 1 75 ? -0.345 -0.906 13.704 1.00 17.91 ? 75 VAL A C 1 ATOM 600 O O . VAL A 1 75 ? 0.377 -0.162 13.029 1.00 17.29 ? 75 VAL A O 1 ATOM 601 C CB . VAL A 1 75 ? -2.421 0.059 14.816 1.00 18.85 ? 75 VAL A CB 1 ATOM 602 C CG1 . VAL A 1 75 ? -1.579 1.334 14.916 1.00 20.43 ? 75 VAL A CG1 1 ATOM 603 C CG2 . VAL A 1 75 ? -3.905 0.377 14.556 1.00 20.43 ? 75 VAL A CG2 1 ATOM 604 N N . SER A 1 76 ? 0.117 -1.812 14.541 1.00 19.22 ? 76 SER A N 1 ATOM 605 C CA . SER A 1 76 ? 1.577 -2.010 14.821 1.00 18.65 ? 76 SER A CA 1 ATOM 606 C C . SER A 1 76 ? 2.303 -2.505 13.582 1.00 19.93 ? 76 SER A C 1 ATOM 607 O O . SER A 1 76 ? 3.305 -1.939 13.199 1.00 18.62 ? 76 SER A O 1 ATOM 608 C CB . SER A 1 76 ? 1.840 -2.988 15.980 1.00 19.39 ? 76 SER A CB 1 ATOM 609 O OG . SER A 1 76 ? 1.383 -2.483 17.282 1.00 21.83 ? 76 SER A OG 1 ATOM 610 N N . PHE A 1 77 ? 1.712 -3.508 12.933 1.00 18.69 ? 77 PHE A N 1 ATOM 611 C CA . PHE A 1 77 ? 2.210 -3.995 11.664 1.00 18.18 ? 77 PHE A CA 1 ATOM 612 C C . PHE A 1 77 ? 2.289 -2.921 10.606 1.00 18.08 ? 77 PHE A C 1 ATOM 613 O O . PHE A 1 77 ? 3.299 -2.768 9.934 1.00 16.68 ? 77 PHE A O 1 ATOM 614 C CB . PHE A 1 77 ? 1.282 -5.159 11.219 1.00 18.34 ? 77 PHE A CB 1 ATOM 615 C CG . PHE A 1 77 ? 1.616 -5.681 9.845 1.00 22.47 ? 77 PHE A CG 1 ATOM 616 C CD1 . PHE A 1 77 ? 0.997 -5.155 8.687 1.00 21.90 ? 77 PHE A CD1 1 ATOM 617 C CD2 . PHE A 1 77 ? 2.649 -6.636 9.716 1.00 22.43 ? 77 PHE A CD2 1 ATOM 618 C CE1 . PHE A 1 77 ? 1.420 -5.617 7.391 1.00 21.23 ? 77 PHE A CE1 1 ATOM 619 C CE2 . PHE A 1 77 ? 3.003 -7.164 8.442 1.00 22.17 ? 77 PHE A CE2 1 ATOM 620 C CZ . PHE A 1 77 ? 2.436 -6.627 7.333 1.00 20.65 ? 77 PHE A CZ 1 ATOM 621 N N . THR A 1 78 ? 1.204 -2.131 10.409 1.00 15.43 ? 78 THR A N 1 ATOM 622 C CA . THR A 1 78 ? 1.271 -1.102 9.429 1.00 15.50 ? 78 THR A CA 1 ATOM 623 C C . THR A 1 78 ? 2.403 -0.097 9.713 1.00 17.45 ? 78 THR A C 1 ATOM 624 O O . THR A 1 78 ? 3.110 0.333 8.801 1.00 16.96 ? 78 THR A O 1 ATOM 625 C CB . THR A 1 78 ? -0.061 -0.351 9.363 1.00 15.99 ? 78 THR A CB 1 ATOM 626 O OG1 . THR A 1 78 ? -1.096 -1.301 9.047 1.00 18.88 ? 78 THR A OG1 1 ATOM 627 C CG2 . THR A 1 78 ? -0.018 0.679 8.310 1.00 17.54 ? 78 THR A CG2 1 ATOM 628 N N . ARG A 1 79 ? 2.558 0.300 10.976 1.00 17.54 ? 79 ARG A N 1 ATOM 629 C CA . ARG A 1 79 ? 3.606 1.312 11.309 1.00 19.67 ? 79 ARG A CA 1 ATOM 630 C C . ARG A 1 79 ? 4.993 0.709 11.087 1.00 17.78 ? 79 ARG A C 1 ATOM 631 O O . ARG A 1 79 ? 5.890 1.375 10.527 1.00 19.09 ? 79 ARG A O 1 ATOM 632 C CB . ARG A 1 79 ? 3.397 1.752 12.746 1.00 19.18 ? 79 ARG A CB 1 ATOM 633 C CG . ARG A 1 79 ? 4.436 2.726 13.355 1.00 26.80 ? 79 ARG A CG 1 ATOM 634 C CD . ARG A 1 79 ? 4.090 2.855 14.868 1.00 33.19 ? 79 ARG A CD 1 ATOM 635 N NE . ARG A 1 79 ? 3.937 1.517 15.443 1.00 41.43 ? 79 ARG A NE 1 ATOM 636 C CZ . ARG A 1 79 ? 4.949 0.681 15.685 1.00 44.73 ? 79 ARG A CZ 1 ATOM 637 N NH1 . ARG A 1 79 ? 6.203 1.075 15.446 1.00 49.53 ? 79 ARG A NH1 1 ATOM 638 N NH2 . ARG A 1 79 ? 4.720 -0.535 16.185 1.00 44.47 ? 79 ARG A NH2 1 ATOM 639 N N . ASP A 1 80 ? 5.137 -0.559 11.458 1.00 19.01 ? 80 ASP A N 1 ATOM 640 C CA . ASP A 1 80 ? 6.423 -1.281 11.363 1.00 18.67 ? 80 ASP A CA 1 ATOM 641 C C . ASP A 1 80 ? 6.859 -1.299 9.863 1.00 18.65 ? 80 ASP A C 1 ATOM 642 O O . ASP A 1 80 ? 8.016 -0.976 9.525 1.00 18.98 ? 80 ASP A O 1 ATOM 643 C CB . ASP A 1 80 ? 6.275 -2.728 11.853 1.00 21.68 ? 80 ASP A CB 1 ATOM 644 C CG . ASP A 1 80 ? 6.359 -2.855 13.383 1.00 25.79 ? 80 ASP A CG 1 ATOM 645 O OD1 . ASP A 1 80 ? 6.588 -1.877 14.119 1.00 32.23 ? 80 ASP A OD1 1 ATOM 646 O OD2 . ASP A 1 80 ? 6.146 -3.978 13.858 1.00 36.33 ? 80 ASP A OD2 1 ATOM 647 N N . ILE A 1 81 ? 5.948 -1.680 8.959 1.00 16.77 ? 81 ILE A N 1 ATOM 648 C CA . ILE A 1 81 ? 6.312 -1.751 7.555 1.00 16.55 ? 81 ILE A CA 1 ATOM 649 C C . ILE A 1 81 ? 6.607 -0.367 7.018 1.00 17.45 ? 81 ILE A C 1 ATOM 650 O O . ILE A 1 81 ? 7.595 -0.141 6.286 1.00 19.53 ? 81 ILE A O 1 ATOM 651 C CB . ILE A 1 81 ? 5.209 -2.409 6.700 1.00 17.48 ? 81 ILE A CB 1 ATOM 652 C CG1 . ILE A 1 81 ? 4.987 -3.884 7.158 1.00 18.60 ? 81 ILE A CG1 1 ATOM 653 C CG2 . ILE A 1 81 ? 5.623 -2.284 5.218 1.00 17.65 ? 81 ILE A CG2 1 ATOM 654 C CD1 . ILE A 1 81 ? 6.264 -4.763 7.153 1.00 16.07 ? 81 ILE A CD1 1 ATOM 655 N N . GLN A 1 82 ? 5.777 0.591 7.381 1.00 18.22 ? 82 GLN A N 1 ATOM 656 C CA . GLN A 1 82 ? 6.053 1.960 6.836 1.00 19.21 ? 82 GLN A CA 1 ATOM 657 C C . GLN A 1 82 ? 7.412 2.500 7.365 1.00 18.17 ? 82 GLN A C 1 ATOM 658 O O . GLN A 1 82 ? 8.158 3.184 6.621 1.00 18.26 ? 82 GLN A O 1 ATOM 659 C CB . GLN A 1 82 ? 4.948 2.935 7.149 1.00 21.56 ? 82 GLN A CB 1 ATOM 660 C CG . GLN A 1 82 ? 3.731 2.729 6.267 1.00 26.29 ? 82 GLN A CG 1 ATOM 661 C CD . GLN A 1 82 ? 2.497 3.393 6.790 1.00 35.71 ? 82 GLN A CD 1 ATOM 662 O OE1 . GLN A 1 82 ? 2.308 3.527 8.007 1.00 38.00 ? 82 GLN A OE1 1 ATOM 663 N NE2 . GLN A 1 82 ? 1.601 3.774 5.874 1.00 37.81 ? 82 GLN A NE2 1 ATOM 664 N N . GLU A 1 83 ? 7.756 2.138 8.599 1.00 17.84 ? 83 GLU A N 1 ATOM 665 C CA . GLU A 1 83 ? 9.058 2.607 9.148 1.00 18.09 ? 83 GLU A CA 1 ATOM 666 C C . GLU A 1 83 ? 10.229 1.868 8.460 1.00 18.74 ? 83 GLU A C 1 ATOM 667 O O . GLU A 1 83 ? 11.263 2.455 8.121 1.00 19.37 ? 83 GLU A O 1 ATOM 668 C CB . GLU A 1 83 ? 9.085 2.360 10.659 1.00 21.41 ? 83 GLU A CB 1 ATOM 669 C CG . GLU A 1 83 ? 8.259 3.358 11.483 1.00 24.28 ? 83 GLU A CG 1 ATOM 670 C CD . GLU A 1 83 ? 8.614 4.799 11.143 1.00 36.67 ? 83 GLU A CD 1 ATOM 671 O OE1 . GLU A 1 83 ? 9.801 5.199 11.351 1.00 35.45 ? 83 GLU A OE1 1 ATOM 672 O OE2 . GLU A 1 83 ? 7.706 5.529 10.631 1.00 42.34 ? 83 GLU A OE2 1 ATOM 673 N N . LEU A 1 84 ? 10.032 0.575 8.193 1.00 17.65 ? 84 LEU A N 1 ATOM 674 C CA . LEU A 1 84 ? 11.022 -0.182 7.475 1.00 18.22 ? 84 LEU A CA 1 ATOM 675 C C . LEU A 1 84 ? 11.257 0.401 6.096 1.00 19.07 ? 84 LEU A C 1 ATOM 676 O O . LEU A 1 84 ? 12.426 0.573 5.671 1.00 18.86 ? 84 LEU A O 1 ATOM 677 C CB . LEU A 1 84 ? 10.605 -1.681 7.382 1.00 18.10 ? 84 LEU A CB 1 ATOM 678 C CG . LEU A 1 84 ? 11.647 -2.552 6.726 1.00 20.78 ? 84 LEU A CG 1 ATOM 679 C CD1 . LEU A 1 84 ? 12.945 -2.493 7.437 1.00 24.36 ? 84 LEU A CD1 1 ATOM 680 C CD2 . LEU A 1 84 ? 11.042 -4.017 6.685 1.00 21.90 ? 84 LEU A CD2 1 ATOM 681 N N . VAL A 1 85 ? 10.190 0.744 5.374 1.00 19.36 ? 85 VAL A N 1 ATOM 682 C CA . VAL A 1 85 ? 10.414 1.257 4.033 1.00 20.06 ? 85 VAL A CA 1 ATOM 683 C C . VAL A 1 85 ? 11.137 2.617 4.092 1.00 21.48 ? 85 VAL A C 1 ATOM 684 O O . VAL A 1 85 ? 12.000 2.895 3.262 1.00 20.69 ? 85 VAL A O 1 ATOM 685 C CB . VAL A 1 85 ? 9.100 1.421 3.255 1.00 21.70 ? 85 VAL A CB 1 ATOM 686 C CG1 . VAL A 1 85 ? 9.375 2.153 1.922 1.00 21.36 ? 85 VAL A CG1 1 ATOM 687 C CG2 . VAL A 1 85 ? 8.449 0.012 3.043 1.00 23.32 ? 85 VAL A CG2 1 ATOM 688 N N . LYS A 1 86 ? 10.837 3.413 5.115 1.00 20.20 ? 86 LYS A N 1 ATOM 689 C CA . LYS A 1 86 ? 11.527 4.707 5.293 1.00 22.19 ? 86 LYS A CA 1 ATOM 690 C C . LYS A 1 86 ? 13.002 4.476 5.527 1.00 21.64 ? 86 LYS A C 1 ATOM 691 O O . LYS A 1 86 ? 13.842 5.149 5.000 1.00 20.82 ? 86 LYS A O 1 ATOM 692 C CB . LYS A 1 86 ? 10.975 5.504 6.494 1.00 21.26 ? 86 LYS A CB 1 ATOM 693 C CG . LYS A 1 86 ? 9.732 6.364 6.162 1.00 29.78 ? 86 LYS A CG 1 ATOM 694 C CD . LYS A 1 86 ? 9.045 6.927 7.429 1.00 33.48 ? 86 LYS A CD 1 ATOM 695 C CE . LYS A 1 86 ? 7.538 7.103 7.179 1.00 39.49 ? 86 LYS A CE 1 ATOM 696 N NZ . LYS A 1 86 ? 7.282 8.390 6.433 1.00 43.26 ? 86 LYS A NZ 1 ATOM 697 N N . MET A 1 87 ? 13.323 3.513 6.371 1.00 20.98 ? 87 MET A N 1 ATOM 698 C CA . MET A 1 87 ? 14.712 3.319 6.732 1.00 22.00 ? 87 MET A CA 1 ATOM 699 C C . MET A 1 87 ? 15.510 2.798 5.527 1.00 22.72 ? 87 MET A C 1 ATOM 700 O O . MET A 1 87 ? 16.690 3.092 5.380 1.00 22.60 ? 87 MET A O 1 ATOM 701 C CB . MET A 1 87 ? 14.786 2.326 7.895 1.00 21.91 ? 87 MET A CB 1 ATOM 702 C CG . MET A 1 87 ? 16.168 1.904 8.291 1.00 23.09 ? 87 MET A CG 1 ATOM 703 S SD . MET A 1 87 ? 16.053 1.008 9.874 1.00 34.54 ? 87 MET A SD 1 ATOM 704 C CE . MET A 1 87 ? 17.722 0.514 10.231 1.00 30.79 ? 87 MET A CE 1 ATOM 705 N N . MET A 1 88 ? 14.861 1.990 4.674 1.00 24.39 ? 88 MET A N 1 ATOM 706 C CA . MET A 1 88 ? 15.546 1.341 3.548 1.00 27.08 ? 88 MET A CA 1 ATOM 707 C C . MET A 1 88 ? 15.673 2.274 2.314 1.00 29.84 ? 88 MET A C 1 ATOM 708 O O . MET A 1 88 ? 16.457 2.032 1.384 1.00 29.81 ? 88 MET A O 1 ATOM 709 C CB . MET A 1 88 ? 14.732 0.084 3.155 1.00 28.58 ? 88 MET A CB 1 ATOM 710 C CG . MET A 1 88 ? 14.883 -1.024 4.169 1.00 30.45 ? 88 MET A CG 1 ATOM 711 S SD . MET A 1 88 ? 16.630 -1.477 4.207 1.00 46.63 ? 88 MET A SD 1 ATOM 712 C CE . MET A 1 88 ? 16.872 -1.973 2.484 1.00 41.33 ? 88 MET A CE 1 ATOM 713 N N . SER A 1 89 ? 14.865 3.331 2.321 1.00 31.38 ? 89 SER A N 1 ATOM 714 C CA . SER A 1 89 ? 14.740 4.267 1.180 1.00 34.08 ? 89 SER A CA 1 ATOM 715 C C . SER A 1 89 ? 16.053 4.791 0.630 1.00 34.93 ? 89 SER A C 1 ATOM 716 O O . SER A 1 89 ? 16.888 5.296 1.402 1.00 34.84 ? 89 SER A O 1 ATOM 717 C CB . SER A 1 89 ? 13.913 5.469 1.617 1.00 33.91 ? 89 SER A CB 1 ATOM 718 O OG . SER A 1 89 ? 13.723 6.336 0.508 1.00 37.28 ? 89 SER A OG 1 ATOM 719 N N . PRO A 1 90 ? 16.236 4.743 -0.718 1.00 35.59 ? 90 PRO A N 1 ATOM 720 C CA . PRO A 1 90 ? 15.238 4.388 -1.732 1.00 36.09 ? 90 PRO A CA 1 ATOM 721 C C . PRO A 1 90 ? 15.523 3.019 -2.293 1.00 36.97 ? 90 PRO A C 1 ATOM 722 O O . PRO A 1 90 ? 15.182 2.754 -3.447 1.00 37.51 ? 90 PRO A O 1 ATOM 723 C CB . PRO A 1 90 ? 15.532 5.397 -2.846 1.00 36.34 ? 90 PRO A CB 1 ATOM 724 C CG . PRO A 1 90 ? 17.067 5.453 -2.827 1.00 36.09 ? 90 PRO A CG 1 ATOM 725 C CD . PRO A 1 90 ? 17.498 5.157 -1.365 1.00 36.07 ? 90 PRO A CD 1 ATOM 726 N N . LYS A 1 91 ? 16.121 2.146 -1.503 1.00 37.37 ? 91 LYS A N 1 ATOM 727 C CA . LYS A 1 91 ? 16.463 0.847 -2.030 1.00 38.85 ? 91 LYS A CA 1 ATOM 728 C C . LYS A 1 91 ? 15.245 -0.047 -2.217 1.00 39.35 ? 91 LYS A C 1 ATOM 729 O O . LYS A 1 91 ? 15.245 -0.936 -3.073 1.00 39.26 ? 91 LYS A O 1 ATOM 730 C CB . LYS A 1 91 ? 17.509 0.174 -1.167 1.00 39.81 ? 91 LYS A CB 1 ATOM 731 C CG . LYS A 1 91 ? 18.830 0.872 -1.171 1.00 41.92 ? 91 LYS A CG 1 ATOM 732 C CD . LYS A 1 91 ? 19.945 -0.123 -0.877 1.00 48.58 ? 91 LYS A CD 1 ATOM 733 C CE . LYS A 1 91 ? 21.332 0.516 -0.992 1.00 50.63 ? 91 LYS A CE 1 ATOM 734 N NZ . LYS A 1 91 ? 22.373 -0.429 -0.476 1.00 55.21 ? 91 LYS A NZ 1 ATOM 735 N N . GLU A 1 92 ? 14.179 0.188 -1.459 1.00 39.68 ? 92 GLU A N 1 ATOM 736 C CA . GLU A 1 92 ? 12.987 -0.645 -1.643 1.00 40.33 ? 92 GLU A CA 1 ATOM 737 C C . GLU A 1 92 ? 11.753 0.165 -2.095 1.00 39.99 ? 92 GLU A C 1 ATOM 738 O O . GLU A 1 92 ? 11.063 0.777 -1.297 1.00 40.32 ? 92 GLU A O 1 ATOM 739 C CB . GLU A 1 92 ? 12.725 -1.458 -0.376 1.00 41.39 ? 92 GLU A CB 1 ATOM 740 C CG . GLU A 1 92 ? 13.990 -2.224 0.148 1.00 43.01 ? 92 GLU A CG 1 ATOM 741 C CD . GLU A 1 92 ? 14.627 -3.195 -0.890 1.00 45.51 ? 92 GLU A CD 1 ATOM 742 O OE1 . GLU A 1 92 ? 13.857 -3.826 -1.695 1.00 44.96 ? 92 GLU A OE1 1 ATOM 743 O OE2 . GLU A 1 92 ? 15.894 -3.314 -0.870 1.00 41.96 ? 92 GLU A OE2 1 ATOM 744 N N . ASP A 1 93 ? 11.477 0.176 -3.396 1.00 40.03 ? 93 ASP A N 1 ATOM 745 C CA . ASP A 1 93 ? 10.431 1.053 -3.929 1.00 40.00 ? 93 ASP A CA 1 ATOM 746 C C . ASP A 1 93 ? 9.049 0.543 -3.542 1.00 38.96 ? 93 ASP A C 1 ATOM 747 O O . ASP A 1 93 ? 8.859 -0.657 -3.375 1.00 38.80 ? 93 ASP A O 1 ATOM 748 C CB . ASP A 1 93 ? 10.516 1.163 -5.472 1.00 40.49 ? 93 ASP A CB 1 ATOM 749 C CG . ASP A 1 93 ? 11.260 2.437 -5.964 1.00 44.37 ? 93 ASP A CG 1 ATOM 750 O OD1 . ASP A 1 93 ? 12.225 2.905 -5.300 1.00 48.55 ? 93 ASP A OD1 1 ATOM 751 O OD2 . ASP A 1 93 ? 10.867 2.984 -7.041 1.00 48.27 ? 93 ASP A OD2 1 ATOM 752 N N . TYR A 1 94 ? 8.096 1.468 -3.410 1.00 37.41 ? 94 TYR A N 1 ATOM 753 C CA . TYR A 1 94 ? 6.670 1.152 -3.342 1.00 35.08 ? 94 TYR A CA 1 ATOM 754 C C . TYR A 1 94 ? 6.378 0.840 -4.836 1.00 33.76 ? 94 TYR A C 1 ATOM 755 O O . TYR A 1 94 ? 7.208 1.207 -5.702 1.00 34.29 ? 94 TYR A O 1 ATOM 756 C CB . TYR A 1 94 ? 5.857 2.354 -2.751 1.00 35.03 ? 94 TYR A CB 1 ATOM 757 C CG . TYR A 1 94 ? 5.775 2.504 -1.194 1.00 36.00 ? 94 TYR A CG 1 ATOM 758 C CD1 . TYR A 1 94 ? 6.208 3.686 -0.526 1.00 38.44 ? 94 TYR A CD1 1 ATOM 759 C CD2 . TYR A 1 94 ? 5.266 1.494 -0.404 1.00 38.30 ? 94 TYR A CD2 1 ATOM 760 C CE1 . TYR A 1 94 ? 6.116 3.831 0.920 1.00 36.82 ? 94 TYR A CE1 1 ATOM 761 C CE2 . TYR A 1 94 ? 5.171 1.609 1.039 1.00 40.41 ? 94 TYR A CE2 1 ATOM 762 C CZ . TYR A 1 94 ? 5.581 2.789 1.704 1.00 42.64 ? 94 TYR A CZ 1 ATOM 763 O OH . TYR A 1 94 ? 5.447 2.857 3.133 1.00 38.06 ? 94 TYR A OH 1 ATOM 764 N N . PRO A 1 95 ? 5.280 0.108 -5.168 1.00 30.88 ? 95 PRO A N 1 ATOM 765 C CA . PRO A 1 95 ? 4.299 -0.540 -4.236 1.00 29.13 ? 95 PRO A CA 1 ATOM 766 C C . PRO A 1 95 ? 4.812 -1.817 -3.563 1.00 25.96 ? 95 PRO A C 1 ATOM 767 O O . PRO A 1 95 ? 5.777 -2.463 -4.033 1.00 26.91 ? 95 PRO A O 1 ATOM 768 C CB . PRO A 1 95 ? 3.064 -0.807 -5.117 1.00 28.94 ? 95 PRO A CB 1 ATOM 769 C CG . PRO A 1 95 ? 3.597 -0.750 -6.584 1.00 30.34 ? 95 PRO A CG 1 ATOM 770 C CD . PRO A 1 95 ? 4.760 0.207 -6.550 1.00 30.98 ? 95 PRO A CD 1 ATOM 771 N N . ILE A 1 96 ? 4.232 -2.185 -2.427 1.00 23.33 ? 96 ILE A N 1 ATOM 772 C CA . ILE A 1 96 ? 4.689 -3.356 -1.733 1.00 19.66 ? 96 ILE A CA 1 ATOM 773 C C . ILE A 1 96 ? 3.422 -4.159 -1.418 1.00 19.39 ? 96 ILE A C 1 ATOM 774 O O . ILE A 1 96 ? 2.413 -3.579 -1.051 1.00 19.57 ? 96 ILE A O 1 ATOM 775 C CB . ILE A 1 96 ? 5.368 -2.994 -0.406 1.00 20.20 ? 96 ILE A CB 1 ATOM 776 C CG1 . ILE A 1 96 ? 6.779 -2.441 -0.691 1.00 26.02 ? 96 ILE A CG1 1 ATOM 777 C CG2 . ILE A 1 96 ? 5.376 -4.173 0.652 1.00 20.78 ? 96 ILE A CG2 1 ATOM 778 C CD1 . ILE A 1 96 ? 7.574 -2.069 0.604 1.00 23.81 ? 96 ILE A CD1 1 ATOM 779 N N A GLU A 1 97 ? 3.492 -5.469 -1.621 0.50 17.65 ? 97 GLU A N 1 ATOM 780 N N B GLU A 1 97 ? 3.439 -5.460 -1.658 0.50 18.26 ? 97 GLU A N 1 ATOM 781 C CA A GLU A 1 97 ? 2.384 -6.368 -1.307 0.50 17.06 ? 97 GLU A CA 1 ATOM 782 C CA B GLU A 1 97 ? 2.320 -6.289 -1.226 0.50 17.86 ? 97 GLU A CA 1 ATOM 783 C C A GLU A 1 97 ? 2.917 -7.382 -0.289 0.50 16.97 ? 97 GLU A C 1 ATOM 784 C C B GLU A 1 97 ? 2.934 -7.281 -0.267 0.50 17.57 ? 97 GLU A C 1 ATOM 785 O O A GLU A 1 97 ? 3.938 -8.049 -0.538 0.50 18.02 ? 97 GLU A O 1 ATOM 786 O O B GLU A 1 97 ? 4.014 -7.821 -0.544 0.50 18.09 ? 97 GLU A O 1 ATOM 787 C CB A GLU A 1 97 ? 1.892 -7.120 -2.601 0.50 15.98 ? 97 GLU A CB 1 ATOM 788 C CB B GLU A 1 97 ? 1.681 -7.082 -2.405 0.50 18.35 ? 97 GLU A CB 1 ATOM 789 C CG A GLU A 1 97 ? 1.341 -6.213 -3.747 0.50 14.91 ? 97 GLU A CG 1 ATOM 790 C CG B GLU A 1 97 ? 0.690 -8.136 -1.903 0.50 18.57 ? 97 GLU A CG 1 ATOM 791 C CD A GLU A 1 97 ? 0.093 -5.403 -3.402 0.50 17.88 ? 97 GLU A CD 1 ATOM 792 C CD B GLU A 1 97 ? -0.626 -7.569 -1.377 0.50 19.54 ? 97 GLU A CD 1 ATOM 793 O OE1 A GLU A 1 97 ? -0.552 -5.695 -2.386 0.50 16.80 ? 97 GLU A OE1 1 ATOM 794 O OE1 B GLU A 1 97 ? -0.999 -6.434 -1.698 0.50 12.45 ? 97 GLU A OE1 1 ATOM 795 O OE2 A GLU A 1 97 ? -0.206 -4.439 -4.134 0.50 15.27 ? 97 GLU A OE2 1 ATOM 796 O OE2 B GLU A 1 97 ? -1.303 -8.267 -0.630 0.50 14.43 ? 97 GLU A OE2 1 ATOM 797 N N . ILE A 1 98 ? 2.306 -7.460 0.889 1.00 17.47 ? 98 ILE A N 1 ATOM 798 C CA . ILE A 1 98 ? 2.693 -8.444 1.875 1.00 17.78 ? 98 ILE A CA 1 ATOM 799 C C . ILE A 1 98 ? 1.492 -9.303 2.160 1.00 17.14 ? 98 ILE A C 1 ATOM 800 O O . ILE A 1 98 ? 0.363 -8.775 2.262 1.00 18.84 ? 98 ILE A O 1 ATOM 801 C CB . ILE A 1 98 ? 3.150 -7.789 3.167 1.00 18.81 ? 98 ILE A CB 1 ATOM 802 C CG1 . ILE A 1 98 ? 4.361 -6.886 2.846 1.00 20.81 ? 98 ILE A CG1 1 ATOM 803 C CG2 . ILE A 1 98 ? 3.421 -8.851 4.207 1.00 21.65 ? 98 ILE A CG2 1 ATOM 804 C CD1 . ILE A 1 98 ? 4.900 -6.153 4.128 1.00 22.37 ? 98 ILE A CD1 1 ATOM 805 N N . GLN A 1 99 ? 1.691 -10.605 2.183 1.00 15.09 ? 99 GLN A N 1 ATOM 806 C CA . GLN A 1 99 ? 0.610 -11.550 2.533 1.00 15.76 ? 99 GLN A CA 1 ATOM 807 C C . GLN A 1 99 ? 1.035 -12.399 3.721 1.00 16.39 ? 99 GLN A C 1 ATOM 808 O O . GLN A 1 99 ? 2.231 -12.756 3.843 1.00 17.07 ? 99 GLN A O 1 ATOM 809 C CB . GLN A 1 99 ? 0.359 -12.485 1.349 1.00 14.14 ? 99 GLN A CB 1 ATOM 810 C CG . GLN A 1 99 ? -0.206 -11.722 0.169 1.00 15.45 ? 99 GLN A CG 1 ATOM 811 C CD . GLN A 1 99 ? -0.038 -12.562 -1.103 1.00 17.70 ? 99 GLN A CD 1 ATOM 812 O OE1 . GLN A 1 99 ? 0.959 -12.404 -1.811 1.00 18.88 ? 99 GLN A OE1 1 ATOM 813 N NE2 . GLN A 1 99 ? -0.913 -13.537 -1.316 1.00 15.54 ? 99 GLN A NE2 1 ATOM 814 N N A LEU A 1 100 ? 0.101 -12.784 4.581 0.50 15.99 ? 100 LEU A N 1 ATOM 815 N N B LEU A 1 100 ? 0.123 -12.703 4.640 0.50 15.73 ? 100 LEU A N 1 ATOM 816 C CA A LEU A 1 100 ? 0.446 -13.642 5.698 0.50 15.78 ? 100 LEU A CA 1 ATOM 817 C CA B LEU A 1 100 ? 0.439 -13.663 5.695 0.50 15.33 ? 100 LEU A CA 1 ATOM 818 C C A LEU A 1 100 ? -0.589 -14.740 5.838 0.50 16.55 ? 100 LEU A C 1 ATOM 819 C C B LEU A 1 100 ? -0.576 -14.757 5.674 0.50 16.12 ? 100 LEU A C 1 ATOM 820 O O A LEU A 1 100 ? -1.785 -14.477 5.764 0.50 17.77 ? 100 LEU A O 1 ATOM 821 O O B LEU A 1 100 ? -1.733 -14.493 5.347 0.50 16.37 ? 100 LEU A O 1 ATOM 822 C CB A LEU A 1 100 ? 0.597 -12.806 6.966 0.50 16.54 ? 100 LEU A CB 1 ATOM 823 C CB B LEU A 1 100 ? 0.439 -13.027 7.072 0.50 15.80 ? 100 LEU A CB 1 ATOM 824 C CG A LEU A 1 100 ? 0.994 -13.491 8.282 0.50 16.69 ? 100 LEU A CG 1 ATOM 825 C CG B LEU A 1 100 ? 1.530 -12.025 7.431 0.50 16.66 ? 100 LEU A CG 1 ATOM 826 C CD1 A LEU A 1 100 ? 1.551 -12.572 9.395 0.50 17.88 ? 100 LEU A CD1 1 ATOM 827 C CD1 B LEU A 1 100 ? 1.047 -10.652 6.973 0.50 15.19 ? 100 LEU A CD1 1 ATOM 828 C CD2 A LEU A 1 100 ? -0.240 -14.233 8.827 0.50 20.05 ? 100 LEU A CD2 1 ATOM 829 C CD2 B LEU A 1 100 ? 1.774 -12.035 8.886 0.50 16.46 ? 100 LEU A CD2 1 ATOM 830 N N . SER A 1 101 ? -0.132 -15.976 5.968 1.00 14.58 ? 101 SER A N 1 ATOM 831 C CA . SER A 1 101 ? -1.039 -17.118 6.112 1.00 16.96 ? 101 SER A CA 1 ATOM 832 C C . SER A 1 101 ? -0.652 -17.769 7.419 1.00 18.56 ? 101 SER A C 1 ATOM 833 O O . SER A 1 101 ? 0.467 -18.302 7.598 1.00 16.58 ? 101 SER A O 1 ATOM 834 C CB . SER A 1 101 ? -0.823 -18.047 4.947 1.00 17.42 ? 101 SER A CB 1 ATOM 835 O OG . SER A 1 101 ? -1.517 -19.298 5.144 1.00 19.79 ? 101 SER A OG 1 ATOM 836 N N . ALA A 1 102 ? -1.575 -17.761 8.355 1.00 16.97 ? 102 ALA A N 1 ATOM 837 C CA . ALA A 1 102 ? -1.254 -18.208 9.740 1.00 17.28 ? 102 ALA A CA 1 ATOM 838 C C . ALA A 1 102 ? -2.451 -19.053 10.222 1.00 19.57 ? 102 ALA A C 1 ATOM 839 O O . ALA A 1 102 ? -3.594 -18.755 9.883 1.00 18.63 ? 102 ALA A O 1 ATOM 840 C CB . ALA A 1 102 ? -1.052 -16.966 10.655 1.00 19.78 ? 102 ALA A CB 1 ATOM 841 N N . GLY A 1 103 ? -2.198 -20.076 11.002 1.00 16.76 ? 103 GLY A N 1 ATOM 842 C CA . GLY A 1 103 ? -3.275 -20.875 11.528 1.00 18.84 ? 103 GLY A CA 1 ATOM 843 C C . GLY A 1 103 ? -2.829 -22.246 11.919 1.00 18.35 ? 103 GLY A C 1 ATOM 844 O O . GLY A 1 103 ? -1.673 -22.460 12.360 1.00 18.28 ? 103 GLY A O 1 ATOM 845 N N . CYS A 1 104 ? -3.722 -23.235 11.821 1.00 19.47 ? 104 CYS A N 1 ATOM 846 C CA . CYS A 1 104 ? -3.317 -24.523 12.299 1.00 20.20 ? 104 CYS A CA 1 ATOM 847 C C . CYS A 1 104 ? -4.122 -25.617 11.614 1.00 22.44 ? 104 CYS A C 1 ATOM 848 O O . CYS A 1 104 ? -5.234 -25.380 11.168 1.00 19.92 ? 104 CYS A O 1 ATOM 849 C CB . CYS A 1 104 ? -3.469 -24.582 13.847 1.00 21.96 ? 104 CYS A CB 1 ATOM 850 S SG . CYS A 1 104 ? -5.145 -23.992 14.571 1.00 27.54 ? 104 CYS A SG 1 ATOM 851 N N . GLU A 1 105 ? -3.517 -26.788 11.517 1.00 23.67 ? 105 GLU A N 1 ATOM 852 C CA . GLU A 1 105 ? -4.190 -27.944 10.973 1.00 27.28 ? 105 GLU A CA 1 ATOM 853 C C . GLU A 1 105 ? -4.546 -28.894 12.126 1.00 28.80 ? 105 GLU A C 1 ATOM 854 O O . GLU A 1 105 ? -3.681 -29.259 12.941 1.00 26.49 ? 105 GLU A O 1 ATOM 855 C CB . GLU A 1 105 ? -3.333 -28.644 9.904 1.00 27.73 ? 105 GLU A CB 1 ATOM 856 C CG . GLU A 1 105 ? -4.095 -29.818 9.220 1.00 33.72 ? 105 GLU A CG 1 ATOM 857 C CD . GLU A 1 105 ? -3.410 -30.403 7.973 1.00 40.47 ? 105 GLU A CD 1 ATOM 858 O OE1 . GLU A 1 105 ? -2.224 -30.100 7.725 1.00 41.53 ? 105 GLU A OE1 1 ATOM 859 O OE2 . GLU A 1 105 ? -4.069 -31.199 7.257 1.00 44.27 ? 105 GLU A OE2 1 ATOM 860 N N . MET A 1 106 ? -5.832 -29.221 12.218 1.00 30.49 ? 106 MET A N 1 ATOM 861 C CA . MET A 1 106 ? -6.352 -30.086 13.265 1.00 34.27 ? 106 MET A CA 1 ATOM 862 C C . MET A 1 106 ? -6.473 -31.529 12.759 1.00 36.54 ? 106 MET A C 1 ATOM 863 O O . MET A 1 106 ? -7.102 -31.761 11.709 1.00 34.81 ? 106 MET A O 1 ATOM 864 C CB . MET A 1 106 ? -7.755 -29.627 13.676 1.00 34.56 ? 106 MET A CB 1 ATOM 865 C CG . MET A 1 106 ? -7.906 -28.154 13.963 1.00 36.10 ? 106 MET A CG 1 ATOM 866 S SD . MET A 1 106 ? -6.825 -27.609 15.322 1.00 36.74 ? 106 MET A SD 1 ATOM 867 C CE . MET A 1 106 ? -7.634 -28.212 16.825 1.00 36.23 ? 106 MET A CE 1 ATOM 868 N N . TYR A 1 107 ? -5.923 -32.489 13.514 1.00 39.60 ? 107 TYR A N 1 ATOM 869 C CA . TYR A 1 107 ? -6.028 -33.932 13.166 1.00 42.85 ? 107 TYR A CA 1 ATOM 870 C C . TYR A 1 107 ? -6.701 -34.762 14.256 1.00 44.78 ? 107 TYR A C 1 ATOM 871 O O . TYR A 1 107 ? -6.965 -34.258 15.371 1.00 44.91 ? 107 TYR A O 1 ATOM 872 C CB . TYR A 1 107 ? -4.655 -34.589 12.936 1.00 43.15 ? 107 TYR A CB 1 ATOM 873 C CG . TYR A 1 107 ? -3.637 -33.758 12.224 1.00 43.98 ? 107 TYR A CG 1 ATOM 874 C CD1 . TYR A 1 107 ? -3.709 -33.548 10.845 1.00 45.45 ? 107 TYR A CD1 1 ATOM 875 C CD2 . TYR A 1 107 ? -2.575 -33.199 12.922 1.00 45.78 ? 107 TYR A CD2 1 ATOM 876 C CE1 . TYR A 1 107 ? -2.756 -32.778 10.196 1.00 47.58 ? 107 TYR A CE1 1 ATOM 877 C CE2 . TYR A 1 107 ? -1.630 -32.437 12.288 1.00 45.56 ? 107 TYR A CE2 1 ATOM 878 C CZ . TYR A 1 107 ? -1.727 -32.222 10.933 1.00 46.23 ? 107 TYR A CZ 1 ATOM 879 O OH . TYR A 1 107 ? -0.768 -31.460 10.327 1.00 47.36 ? 107 TYR A OH 1 ATOM 880 N N . PRO A 1 108 ? -6.914 -36.071 13.957 1.00 46.52 ? 108 PRO A N 1 ATOM 881 C CA . PRO A 1 108 ? -7.475 -37.061 14.883 1.00 46.91 ? 108 PRO A CA 1 ATOM 882 C C . PRO A 1 108 ? -6.753 -37.011 16.221 1.00 47.20 ? 108 PRO A C 1 ATOM 883 O O . PRO A 1 108 ? -5.672 -36.435 16.317 1.00 47.55 ? 108 PRO A O 1 ATOM 884 C CB . PRO A 1 108 ? -7.186 -38.401 14.187 1.00 47.11 ? 108 PRO A CB 1 ATOM 885 C CG . PRO A 1 108 ? -6.072 -38.106 13.192 1.00 46.94 ? 108 PRO A CG 1 ATOM 886 C CD . PRO A 1 108 ? -6.397 -36.711 12.728 1.00 46.65 ? 108 PRO A CD 1 ATOM 887 N N . GLY A 1 109 ? -7.318 -37.662 17.236 1.00 47.50 ? 109 GLY A N 1 ATOM 888 C CA . GLY A 1 109 ? -6.854 -37.458 18.602 1.00 46.93 ? 109 GLY A CA 1 ATOM 889 C C . GLY A 1 109 ? -7.139 -35.990 18.818 1.00 46.90 ? 109 GLY A C 1 ATOM 890 O O . GLY A 1 109 ? -8.091 -35.455 18.248 1.00 47.60 ? 109 GLY A O 1 ATOM 891 N N . ASN A 1 110 ? -6.341 -35.317 19.629 1.00 45.98 ? 110 ASN A N 1 ATOM 892 C CA . ASN A 1 110 ? -6.405 -33.869 19.611 1.00 45.14 ? 110 ASN A CA 1 ATOM 893 C C . ASN A 1 110 ? -5.046 -33.312 19.177 1.00 42.74 ? 110 ASN A C 1 ATOM 894 O O . ASN A 1 110 ? -4.454 -32.517 19.890 1.00 43.19 ? 110 ASN A O 1 ATOM 895 C CB . ASN A 1 110 ? -6.834 -33.302 20.974 1.00 46.27 ? 110 ASN A CB 1 ATOM 896 C CG . ASN A 1 110 ? -8.340 -33.476 21.250 1.00 48.78 ? 110 ASN A CG 1 ATOM 897 O OD1 . ASN A 1 110 ? -9.164 -33.540 20.325 1.00 52.22 ? 110 ASN A OD1 1 ATOM 898 N ND2 . ASN A 1 110 ? -8.700 -33.552 22.540 1.00 52.47 ? 110 ASN A ND2 1 ATOM 899 N N . ALA A 1 111 ? -4.538 -33.765 18.031 1.00 39.28 ? 111 ALA A N 1 ATOM 900 C CA . ALA A 1 111 ? -3.227 -33.321 17.563 1.00 36.03 ? 111 ALA A CA 1 ATOM 901 C C . ALA A 1 111 ? -3.404 -32.164 16.572 1.00 33.57 ? 111 ALA A C 1 ATOM 902 O O . ALA A 1 111 ? -4.431 -32.078 15.911 1.00 31.74 ? 111 ALA A O 1 ATOM 903 C CB . ALA A 1 111 ? -2.479 -34.465 16.912 1.00 37.04 ? 111 ALA A CB 1 ATOM 904 N N . SER A 1 112 ? -2.431 -31.260 16.525 1.00 31.01 ? 112 SER A N 1 ATOM 905 C CA . SER A 1 112 ? -2.468 -30.120 15.590 1.00 29.96 ? 112 SER A CA 1 ATOM 906 C C . SER A 1 112 ? -1.040 -29.623 15.301 1.00 28.55 ? 112 SER A C 1 ATOM 907 O O . SER A 1 112 ? -0.145 -29.840 16.127 1.00 27.90 ? 112 SER A O 1 ATOM 908 C CB . SER A 1 112 ? -3.311 -28.972 16.174 1.00 30.30 ? 112 SER A CB 1 ATOM 909 O OG . SER A 1 112 ? -2.620 -28.376 17.259 1.00 31.22 ? 112 SER A OG 1 ATOM 910 N N . GLU A 1 113 ? -0.822 -29.016 14.122 1.00 26.18 ? 113 GLU A N 1 ATOM 911 C CA . GLU A 1 113 ? 0.423 -28.378 13.734 1.00 27.12 ? 113 GLU A CA 1 ATOM 912 C C . GLU A 1 113 ? 0.042 -26.930 13.355 1.00 23.46 ? 113 GLU A C 1 ATOM 913 O O . GLU A 1 113 ? -0.983 -26.712 12.753 1.00 24.40 ? 113 GLU A O 1 ATOM 914 C CB . GLU A 1 113 ? 1.009 -29.114 12.529 1.00 29.38 ? 113 GLU A CB 1 ATOM 915 C CG . GLU A 1 113 ? 1.968 -28.308 11.614 1.00 36.77 ? 113 GLU A CG 1 ATOM 916 C CD . GLU A 1 113 ? 3.435 -28.752 11.683 1.00 44.01 ? 113 GLU A CD 1 ATOM 917 O OE1 . GLU A 1 113 ? 3.767 -29.591 12.557 1.00 48.59 ? 113 GLU A OE1 1 ATOM 918 O OE2 . GLU A 1 113 ? 4.260 -28.240 10.869 1.00 46.33 ? 113 GLU A OE2 1 ATOM 919 N N . SER A 1 114 ? 0.854 -25.948 13.713 1.00 20.02 ? 114 SER A N 1 ATOM 920 C CA . SER A 1 114 ? 0.520 -24.583 13.368 1.00 20.00 ? 114 SER A CA 1 ATOM 921 C C . SER A 1 114 ? 1.559 -24.041 12.408 1.00 19.31 ? 114 SER A C 1 ATOM 922 O O . SER A 1 114 ? 2.651 -24.668 12.189 1.00 19.50 ? 114 SER A O 1 ATOM 923 C CB . SER A 1 114 ? 0.451 -23.750 14.643 1.00 20.16 ? 114 SER A CB 1 ATOM 924 O OG . SER A 1 114 ? -0.656 -24.194 15.448 0.50 12.64 ? 114 SER A OG 1 ATOM 925 N N . PHE A 1 115 ? 1.242 -22.911 11.779 1.00 18.22 ? 115 PHE A N 1 ATOM 926 C CA . PHE A 1 115 ? 2.118 -22.304 10.783 1.00 17.62 ? 115 PHE A CA 1 ATOM 927 C C . PHE A 1 115 ? 1.836 -20.831 10.695 1.00 16.07 ? 115 PHE A C 1 ATOM 928 O O . PHE A 1 115 ? 0.726 -20.307 11.088 1.00 17.82 ? 115 PHE A O 1 ATOM 929 C CB . PHE A 1 115 ? 1.815 -22.923 9.382 1.00 18.00 ? 115 PHE A CB 1 ATOM 930 C CG . PHE A 1 115 ? 0.345 -22.832 9.004 1.00 17.58 ? 115 PHE A CG 1 ATOM 931 C CD1 . PHE A 1 115 ? -0.533 -23.845 9.341 1.00 19.85 ? 115 PHE A CD1 1 ATOM 932 C CD2 . PHE A 1 115 ? -0.136 -21.699 8.371 1.00 20.52 ? 115 PHE A CD2 1 ATOM 933 C CE1 . PHE A 1 115 ? -1.887 -23.727 9.014 1.00 22.26 ? 115 PHE A CE1 1 ATOM 934 C CE2 . PHE A 1 115 ? -1.529 -21.586 8.039 1.00 19.97 ? 115 PHE A CE2 1 ATOM 935 C CZ . PHE A 1 115 ? -2.352 -22.587 8.378 1.00 19.56 ? 115 PHE A CZ 1 ATOM 936 N N . LEU A 1 116 ? 2.866 -20.100 10.238 1.00 15.45 ? 116 LEU A N 1 ATOM 937 C CA . LEU A 1 116 ? 2.810 -18.678 10.069 1.00 15.51 ? 116 LEU A CA 1 ATOM 938 C C . LEU A 1 116 ? 3.838 -18.374 8.985 1.00 15.71 ? 116 LEU A C 1 ATOM 939 O O . LEU A 1 116 ? 5.062 -18.326 9.222 1.00 16.52 ? 116 LEU A O 1 ATOM 940 C CB . LEU A 1 116 ? 3.124 -17.898 11.395 1.00 14.99 ? 116 LEU A CB 1 ATOM 941 C CG . LEU A 1 116 ? 2.720 -16.405 11.388 1.00 16.65 ? 116 LEU A CG 1 ATOM 942 C CD1 . LEU A 1 116 ? 2.949 -15.841 12.828 1.00 20.43 ? 116 LEU A CD1 1 ATOM 943 C CD2 . LEU A 1 116 ? 3.570 -15.593 10.383 1.00 19.77 ? 116 LEU A CD2 1 ATOM 944 N N . HIS A 1 117 ? 3.328 -18.134 7.784 1.00 14.42 ? 117 HIS A N 1 ATOM 945 C CA . HIS A 1 117 ? 4.191 -17.839 6.595 1.00 15.49 ? 117 HIS A CA 1 ATOM 946 C C . HIS A 1 117 ? 3.852 -16.468 6.066 1.00 17.14 ? 117 HIS A C 1 ATOM 947 O O . HIS A 1 117 ? 2.702 -15.996 6.119 1.00 17.49 ? 117 HIS A O 1 ATOM 948 C CB . HIS A 1 117 ? 3.904 -18.896 5.510 1.00 13.24 ? 117 HIS A CB 1 ATOM 949 C CG . HIS A 1 117 ? 4.410 -20.285 5.822 1.00 17.29 ? 117 HIS A CG 1 ATOM 950 N ND1 . HIS A 1 117 ? 4.495 -21.279 4.867 1.00 27.67 ? 117 HIS A ND1 1 ATOM 951 C CD2 . HIS A 1 117 ? 4.900 -20.828 6.960 1.00 16.16 ? 117 HIS A CD2 1 ATOM 952 C CE1 . HIS A 1 117 ? 4.974 -22.391 5.416 1.00 25.89 ? 117 HIS A CE1 1 ATOM 953 N NE2 . HIS A 1 117 ? 5.154 -22.165 6.711 1.00 19.15 ? 117 HIS A NE2 1 ATOM 954 N N . VAL A 1 118 ? 4.894 -15.757 5.545 1.00 14.68 ? 118 VAL A N 1 ATOM 955 C CA . VAL A 1 118 ? 4.775 -14.394 5.081 1.00 14.78 ? 118 VAL A CA 1 ATOM 956 C C . VAL A 1 118 ? 5.389 -14.335 3.671 1.00 15.38 ? 118 VAL A C 1 ATOM 957 O O . VAL A 1 118 ? 6.496 -14.829 3.488 1.00 14.87 ? 118 VAL A O 1 ATOM 958 C CB . VAL A 1 118 ? 5.596 -13.475 5.968 1.00 15.32 ? 118 VAL A CB 1 ATOM 959 C CG1 . VAL A 1 118 ? 5.448 -12.010 5.496 1.00 17.21 ? 118 VAL A CG1 1 ATOM 960 C CG2 . VAL A 1 118 ? 5.160 -13.598 7.461 1.00 15.27 ? 118 VAL A CG2 1 ATOM 961 N N . ALA A 1 119 ? 4.676 -13.698 2.725 1.00 14.28 ? 119 ALA A N 1 ATOM 962 C CA . ALA A 1 119 ? 5.195 -13.490 1.368 1.00 13.91 ? 119 ALA A CA 1 ATOM 963 C C . ALA A 1 119 ? 5.302 -12.015 1.146 1.00 15.87 ? 119 ALA A C 1 ATOM 964 O O . ALA A 1 119 ? 4.560 -11.257 1.696 1.00 17.16 ? 119 ALA A O 1 ATOM 965 C CB . ALA A 1 119 ? 4.173 -14.058 0.356 1.00 13.88 ? 119 ALA A CB 1 ATOM 966 N N . PHE A 1 120 ? 6.278 -11.628 0.326 1.00 15.35 ? 120 PHE A N 1 ATOM 967 C CA . PHE A 1 120 ? 6.611 -10.269 -0.026 1.00 16.20 ? 120 PHE A CA 1 ATOM 968 C C . PHE A 1 120 ? 6.645 -10.257 -1.550 1.00 15.78 ? 120 PHE A C 1 ATOM 969 O O . PHE A 1 120 ? 7.357 -11.017 -2.181 1.00 16.15 ? 120 PHE A O 1 ATOM 970 C CB . PHE A 1 120 ? 7.987 -9.898 0.567 1.00 18.43 ? 120 PHE A CB 1 ATOM 971 C CG . PHE A 1 120 ? 8.494 -8.611 0.067 1.00 19.75 ? 120 PHE A CG 1 ATOM 972 C CD1 . PHE A 1 120 ? 7.861 -7.397 0.406 1.00 21.11 ? 120 PHE A CD1 1 ATOM 973 C CD2 . PHE A 1 120 ? 9.643 -8.585 -0.748 1.00 22.18 ? 120 PHE A CD2 1 ATOM 974 C CE1 . PHE A 1 120 ? 8.403 -6.148 -0.090 1.00 23.33 ? 120 PHE A CE1 1 ATOM 975 C CE2 . PHE A 1 120 ? 10.156 -7.396 -1.227 1.00 23.62 ? 120 PHE A CE2 1 ATOM 976 C CZ . PHE A 1 120 ? 9.526 -6.173 -0.897 1.00 25.67 ? 120 PHE A CZ 1 ATOM 977 N N . GLN A 1 121 ? 5.875 -9.362 -2.145 1.00 16.45 ? 121 GLN A N 1 ATOM 978 C CA . GLN A 1 121 ? 5.702 -9.280 -3.630 1.00 18.41 ? 121 GLN A CA 1 ATOM 979 C C . GLN A 1 121 ? 5.376 -10.654 -4.223 1.00 19.41 ? 121 GLN A C 1 ATOM 980 O O . GLN A 1 121 ? 5.825 -10.987 -5.333 1.00 19.25 ? 121 GLN A O 1 ATOM 981 C CB . GLN A 1 121 ? 6.947 -8.694 -4.352 1.00 19.34 ? 121 GLN A CB 1 ATOM 982 C CG . GLN A 1 121 ? 7.592 -7.506 -3.666 1.00 20.49 ? 121 GLN A CG 1 ATOM 983 C CD . GLN A 1 121 ? 6.674 -6.308 -3.695 1.00 22.32 ? 121 GLN A CD 1 ATOM 984 O OE1 . GLN A 1 121 ? 5.472 -6.411 -3.389 1.00 23.11 ? 121 GLN A OE1 1 ATOM 985 N NE2 . GLN A 1 121 ? 7.232 -5.149 -4.079 1.00 26.49 ? 121 GLN A NE2 1 ATOM 986 N N . GLY A 1 122 ? 4.564 -11.430 -3.539 1.00 18.49 ? 122 GLY A N 1 ATOM 987 C CA . GLY A 1 122 ? 4.094 -12.656 -4.158 1.00 17.69 ? 122 GLY A CA 1 ATOM 988 C C . GLY A 1 122 ? 4.932 -13.887 -3.885 1.00 17.57 ? 122 GLY A C 1 ATOM 989 O O . GLY A 1 122 ? 4.561 -14.994 -4.342 1.00 18.40 ? 122 GLY A O 1 ATOM 990 N N . LYS A 1 123 ? 6.027 -13.696 -3.145 1.00 15.25 ? 123 LYS A N 1 ATOM 991 C CA . LYS A 1 123 ? 6.997 -14.771 -2.936 1.00 16.50 ? 123 LYS A CA 1 ATOM 992 C C . LYS A 1 123 ? 7.216 -15.037 -1.436 1.00 14.36 ? 123 LYS A C 1 ATOM 993 O O . LYS A 1 123 ? 7.394 -14.120 -0.660 1.00 15.12 ? 123 LYS A O 1 ATOM 994 C CB . LYS A 1 123 ? 8.309 -14.439 -3.623 1.00 19.69 ? 123 LYS A CB 1 ATOM 995 C CG . LYS A 1 123 ? 9.289 -15.543 -3.498 1.00 22.87 ? 123 LYS A CG 1 ATOM 996 C CD . LYS A 1 123 ? 10.060 -15.725 -4.818 1.00 29.23 ? 123 LYS A CD 1 ATOM 997 C CE . LYS A 1 123 ? 11.231 -16.713 -4.557 1.00 31.82 ? 123 LYS A CE 1 ATOM 998 N NZ . LYS A 1 123 ? 11.231 -17.838 -5.550 1.00 34.29 ? 123 LYS A NZ 1 ATOM 999 N N . TYR A 1 124 ? 7.144 -16.313 -1.035 1.00 14.99 ? 124 TYR A N 1 ATOM 1000 C CA . TYR A 1 124 ? 7.370 -16.717 0.373 1.00 14.19 ? 124 TYR A CA 1 ATOM 1001 C C . TYR A 1 124 ? 8.769 -16.289 0.824 1.00 14.51 ? 124 TYR A C 1 ATOM 1002 O O . TYR A 1 124 ? 9.775 -16.636 0.152 1.00 14.80 ? 124 TYR A O 1 ATOM 1003 C CB . TYR A 1 124 ? 7.226 -18.209 0.476 1.00 15.11 ? 124 TYR A CB 1 ATOM 1004 C CG . TYR A 1 124 ? 7.482 -18.894 1.780 1.00 13.90 ? 124 TYR A CG 1 ATOM 1005 C CD1 . TYR A 1 124 ? 7.104 -18.315 3.028 1.00 17.45 ? 124 TYR A CD1 1 ATOM 1006 C CD2 . TYR A 1 124 ? 8.028 -20.185 1.779 1.00 17.45 ? 124 TYR A CD2 1 ATOM 1007 C CE1 . TYR A 1 124 ? 7.252 -19.052 4.217 1.00 15.86 ? 124 TYR A CE1 1 ATOM 1008 C CE2 . TYR A 1 124 ? 8.222 -20.896 2.958 1.00 19.26 ? 124 TYR A CE2 1 ATOM 1009 C CZ . TYR A 1 124 ? 7.832 -20.306 4.178 1.00 18.59 ? 124 TYR A CZ 1 ATOM 1010 O OH . TYR A 1 124 ? 8.052 -21.044 5.326 1.00 16.69 ? 124 TYR A OH 1 ATOM 1011 N N . VAL A 1 125 ? 8.839 -15.558 1.943 1.00 14.52 ? 125 VAL A N 1 ATOM 1012 C CA . VAL A 1 125 ? 10.175 -15.049 2.388 1.00 12.67 ? 125 VAL A CA 1 ATOM 1013 C C . VAL A 1 125 ? 10.488 -15.272 3.869 1.00 14.72 ? 125 VAL A C 1 ATOM 1014 O O . VAL A 1 125 ? 11.647 -15.328 4.246 1.00 14.41 ? 125 VAL A O 1 ATOM 1015 C CB . VAL A 1 125 ? 10.348 -13.541 2.140 1.00 11.26 ? 125 VAL A CB 1 ATOM 1016 C CG1 . VAL A 1 125 ? 10.451 -13.247 0.640 1.00 15.08 ? 125 VAL A CG1 1 ATOM 1017 C CG2 . VAL A 1 125 ? 9.184 -12.664 2.768 1.00 16.45 ? 125 VAL A CG2 1 ATOM 1018 N N . VAL A 1 126 ? 9.439 -15.386 4.714 1.00 13.27 ? 126 VAL A N 1 ATOM 1019 C CA . VAL A 1 126 ? 9.706 -15.423 6.154 1.00 14.10 ? 126 VAL A CA 1 ATOM 1020 C C . VAL A 1 126 ? 8.701 -16.401 6.788 1.00 15.65 ? 126 VAL A C 1 ATOM 1021 O O . VAL A 1 126 ? 7.513 -16.459 6.365 1.00 15.75 ? 126 VAL A O 1 ATOM 1022 C CB . VAL A 1 126 ? 9.498 -13.995 6.814 1.00 16.24 ? 126 VAL A CB 1 ATOM 1023 C CG1 . VAL A 1 126 ? 9.324 -13.995 8.369 1.00 17.17 ? 126 VAL A CG1 1 ATOM 1024 C CG2 . VAL A 1 126 ? 10.646 -13.043 6.471 1.00 16.54 ? 126 VAL A CG2 1 ATOM 1025 N N . ARG A 1 127 ? 9.078 -17.143 7.829 1.00 13.10 ? 127 ARG A N 1 ATOM 1026 C CA . ARG A 1 127 ? 8.111 -17.826 8.636 1.00 14.22 ? 127 ARG A CA 1 ATOM 1027 C C . ARG A 1 127 ? 8.436 -17.671 10.105 1.00 16.63 ? 127 ARG A C 1 ATOM 1028 O O . ARG A 1 127 ? 9.520 -17.245 10.462 1.00 17.21 ? 127 ARG A O 1 ATOM 1029 C CB . ARG A 1 127 ? 8.152 -19.322 8.342 1.00 14.95 ? 127 ARG A CB 1 ATOM 1030 C CG . ARG A 1 127 ? 9.542 -19.961 8.655 1.00 17.44 ? 127 ARG A CG 1 ATOM 1031 C CD . ARG A 1 127 ? 9.408 -21.449 8.435 1.00 21.18 ? 127 ARG A CD 1 ATOM 1032 N NE . ARG A 1 127 ? 10.645 -22.122 8.732 1.00 23.66 ? 127 ARG A NE 1 ATOM 1033 C CZ . ARG A 1 127 ? 10.735 -23.444 8.854 1.00 28.40 ? 127 ARG A CZ 1 ATOM 1034 N NH1 . ARG A 1 127 ? 9.649 -24.191 8.732 1.00 27.89 ? 127 ARG A NH1 1 ATOM 1035 N NH2 . ARG A 1 127 ? 11.894 -23.998 9.089 1.00 29.98 ? 127 ARG A NH2 1 ATOM 1036 N N . PHE A 1 128 ? 7.442 -17.983 10.945 1.00 14.75 ? 128 PHE A N 1 ATOM 1037 C CA . PHE A 1 128 ? 7.731 -18.137 12.397 1.00 14.04 ? 128 PHE A CA 1 ATOM 1038 C C . PHE A 1 128 ? 7.848 -19.629 12.644 1.00 14.60 ? 128 PHE A C 1 ATOM 1039 O O . PHE A 1 128 ? 6.967 -20.416 12.207 1.00 18.35 ? 128 PHE A O 1 ATOM 1040 C CB . PHE A 1 128 ? 6.644 -17.422 13.265 1.00 15.46 ? 128 PHE A CB 1 ATOM 1041 C CG . PHE A 1 128 ? 7.045 -17.335 14.734 1.00 12.93 ? 128 PHE A CG 1 ATOM 1042 C CD1 . PHE A 1 128 ? 7.728 -16.205 15.247 1.00 13.18 ? 128 PHE A CD1 1 ATOM 1043 C CD2 . PHE A 1 128 ? 6.828 -18.403 15.531 1.00 16.18 ? 128 PHE A CD2 1 ATOM 1044 C CE1 . PHE A 1 128 ? 8.109 -16.205 16.555 1.00 17.15 ? 128 PHE A CE1 1 ATOM 1045 C CE2 . PHE A 1 128 ? 7.158 -18.369 16.879 1.00 18.93 ? 128 PHE A CE2 1 ATOM 1046 C CZ . PHE A 1 128 ? 7.805 -17.243 17.371 1.00 16.71 ? 128 PHE A CZ 1 ATOM 1047 N N . TRP A 1 129 ? 8.894 -20.040 13.353 1.00 14.79 ? 129 TRP A N 1 ATOM 1048 C CA . TRP A 1 129 ? 9.019 -21.476 13.590 1.00 17.45 ? 129 TRP A CA 1 ATOM 1049 C C . TRP A 1 129 ? 9.706 -21.681 14.929 1.00 17.93 ? 129 TRP A C 1 ATOM 1050 O O . TRP A 1 129 ? 10.807 -21.140 15.138 1.00 18.88 ? 129 TRP A O 1 ATOM 1051 C CB . TRP A 1 129 ? 9.883 -22.125 12.475 1.00 16.86 ? 129 TRP A CB 1 ATOM 1052 C CG . TRP A 1 129 ? 9.913 -23.626 12.511 1.00 21.40 ? 129 TRP A CG 1 ATOM 1053 C CD1 . TRP A 1 129 ? 11.000 -24.409 12.743 1.00 28.17 ? 129 TRP A CD1 1 ATOM 1054 C CD2 . TRP A 1 129 ? 8.811 -24.525 12.275 1.00 26.15 ? 129 TRP A CD2 1 ATOM 1055 N NE1 . TRP A 1 129 ? 10.647 -25.723 12.660 1.00 27.54 ? 129 TRP A NE1 1 ATOM 1056 C CE2 . TRP A 1 129 ? 9.321 -25.832 12.376 1.00 29.14 ? 129 TRP A CE2 1 ATOM 1057 C CE3 . TRP A 1 129 ? 7.461 -24.342 11.951 1.00 28.30 ? 129 TRP A CE3 1 ATOM 1058 C CZ2 . TRP A 1 129 ? 8.524 -26.966 12.201 1.00 28.73 ? 129 TRP A CZ2 1 ATOM 1059 C CZ3 . TRP A 1 129 ? 6.656 -25.471 11.755 1.00 30.45 ? 129 TRP A CZ3 1 ATOM 1060 C CH2 . TRP A 1 129 ? 7.207 -26.773 11.901 1.00 27.34 ? 129 TRP A CH2 1 ATOM 1061 N N . GLY A 1 130 ? 9.045 -22.438 15.802 1.00 18.70 ? 130 GLY A N 1 ATOM 1062 C CA . GLY A 1 130 ? 9.667 -22.718 17.120 1.00 18.89 ? 130 GLY A CA 1 ATOM 1063 C C . GLY A 1 130 ? 9.511 -21.505 18.027 1.00 17.91 ? 130 GLY A C 1 ATOM 1064 O O . GLY A 1 130 ? 8.413 -21.241 18.522 1.00 18.29 ? 130 GLY A O 1 ATOM 1065 N N . THR A 1 131 ? 10.612 -20.772 18.205 1.00 18.42 ? 131 THR A N 1 ATOM 1066 C CA . THR A 1 131 ? 10.512 -19.527 19.007 1.00 19.62 ? 131 THR A CA 1 ATOM 1067 C C . THR A 1 131 ? 10.970 -18.283 18.269 1.00 20.51 ? 131 THR A C 1 ATOM 1068 O O . THR A 1 131 ? 11.138 -17.204 18.877 1.00 21.73 ? 131 THR A O 1 ATOM 1069 C CB . THR A 1 131 ? 11.376 -19.655 20.327 1.00 19.20 ? 131 THR A CB 1 ATOM 1070 O OG1 . THR A 1 131 ? 12.769 -19.642 19.962 1.00 19.68 ? 131 THR A OG1 1 ATOM 1071 C CG2 . THR A 1 131 ? 10.992 -20.828 21.085 1.00 19.25 ? 131 THR A CG2 1 ATOM 1072 N N . SER A 1 132 ? 11.191 -18.393 16.956 1.00 20.50 ? 132 SER A N 1 ATOM 1073 C CA . SER A 1 132 ? 11.745 -17.235 16.250 1.00 19.34 ? 132 SER A CA 1 ATOM 1074 C C . SER A 1 132 ? 11.213 -17.086 14.828 1.00 18.15 ? 132 SER A C 1 ATOM 1075 O O . SER A 1 132 ? 10.805 -18.081 14.162 1.00 18.18 ? 132 SER A O 1 ATOM 1076 C CB . SER A 1 132 ? 13.302 -17.246 16.196 1.00 22.71 ? 132 SER A CB 1 ATOM 1077 O OG . SER A 1 132 ? 13.728 -18.368 15.461 1.00 26.71 ? 132 SER A OG 1 ATOM 1078 N N . TRP A 1 133 ? 11.360 -15.862 14.340 1.00 15.09 ? 133 TRP A N 1 ATOM 1079 C CA . TRP A 1 133 ? 11.125 -15.549 12.904 1.00 16.68 ? 133 TRP A CA 1 ATOM 1080 C C . TRP A 1 133 ? 12.370 -15.924 12.146 1.00 16.92 ? 133 TRP A C 1 ATOM 1081 O O . TRP A 1 133 ? 13.484 -15.794 12.685 1.00 17.60 ? 133 TRP A O 1 ATOM 1082 C CB . TRP A 1 133 ? 10.945 -14.062 12.755 1.00 17.01 ? 133 TRP A CB 1 ATOM 1083 C CG . TRP A 1 133 ? 9.757 -13.527 13.540 1.00 14.69 ? 133 TRP A CG 1 ATOM 1084 C CD1 . TRP A 1 133 ? 9.788 -12.996 14.798 1.00 16.44 ? 133 TRP A CD1 1 ATOM 1085 C CD2 . TRP A 1 133 ? 8.410 -13.468 13.090 1.00 15.20 ? 133 TRP A CD2 1 ATOM 1086 N NE1 . TRP A 1 133 ? 8.503 -12.616 15.148 1.00 14.45 ? 133 TRP A NE1 1 ATOM 1087 C CE2 . TRP A 1 133 ? 7.657 -12.899 14.119 1.00 16.64 ? 133 TRP A CE2 1 ATOM 1088 C CE3 . TRP A 1 133 ? 7.766 -13.857 11.909 1.00 18.29 ? 133 TRP A CE3 1 ATOM 1089 C CZ2 . TRP A 1 133 ? 6.246 -12.677 14.004 1.00 17.74 ? 133 TRP A CZ2 1 ATOM 1090 C CZ3 . TRP A 1 133 ? 6.369 -13.651 11.776 1.00 20.66 ? 133 TRP A CZ3 1 ATOM 1091 C CH2 . TRP A 1 133 ? 5.630 -13.087 12.813 1.00 16.15 ? 133 TRP A CH2 1 ATOM 1092 N N A GLN A 1 134 ? 12.208 -16.350 10.911 0.50 16.34 ? 134 GLN A N 1 ATOM 1093 N N B GLN A 1 134 ? 12.183 -16.452 10.930 0.50 16.75 ? 134 GLN A N 1 ATOM 1094 C CA A GLN A 1 134 ? 13.378 -16.713 10.138 0.50 15.98 ? 134 GLN A CA 1 ATOM 1095 C CA B GLN A 1 134 ? 13.256 -17.072 10.109 0.50 17.25 ? 134 GLN A CA 1 ATOM 1096 C C A GLN A 1 134 ? 13.054 -16.299 8.711 0.50 16.44 ? 134 GLN A C 1 ATOM 1097 C C B GLN A 1 134 ? 13.089 -16.627 8.655 0.50 17.43 ? 134 GLN A C 1 ATOM 1098 O O A GLN A 1 134 ? 11.896 -16.201 8.257 0.50 13.61 ? 134 GLN A O 1 ATOM 1099 O O B GLN A 1 134 ? 11.989 -16.858 8.123 0.50 16.55 ? 134 GLN A O 1 ATOM 1100 C CB A GLN A 1 134 ? 13.645 -18.222 10.258 0.50 16.39 ? 134 GLN A CB 1 ATOM 1101 C CB B GLN A 1 134 ? 13.023 -18.599 10.064 0.50 16.63 ? 134 GLN A CB 1 ATOM 1102 C CG A GLN A 1 134 ? 13.088 -18.787 11.601 0.50 17.81 ? 134 GLN A CG 1 ATOM 1103 C CG B GLN A 1 134 ? 13.749 -19.243 8.925 0.50 23.48 ? 134 GLN A CG 1 ATOM 1104 C CD A GLN A 1 134 ? 13.405 -20.201 11.869 0.50 19.84 ? 134 GLN A CD 1 ATOM 1105 C CD B GLN A 1 134 ? 13.348 -20.682 8.738 0.50 25.64 ? 134 GLN A CD 1 ATOM 1106 O OE1 A GLN A 1 134 ? 13.604 -20.997 10.959 0.50 19.61 ? 134 GLN A OE1 1 ATOM 1107 O OE1 B GLN A 1 134 ? 13.169 -21.397 9.717 0.50 28.51 ? 134 GLN A OE1 1 ATOM 1108 N NE2 A GLN A 1 134 ? 13.440 -20.552 13.168 0.50 20.55 ? 134 GLN A NE2 1 ATOM 1109 N NE2 B GLN A 1 134 ? 13.199 -21.115 7.472 0.50 27.09 ? 134 GLN A NE2 1 ATOM 1110 N N . THR A 1 135 ? 14.113 -16.024 7.990 1.00 16.36 ? 135 THR A N 1 ATOM 1111 C CA . THR A 1 135 ? 14.006 -15.858 6.537 1.00 15.24 ? 135 THR A CA 1 ATOM 1112 C C . THR A 1 135 ? 14.044 -17.235 5.899 1.00 18.61 ? 135 THR A C 1 ATOM 1113 O O . THR A 1 135 ? 14.719 -18.191 6.398 1.00 21.33 ? 135 THR A O 1 ATOM 1114 C CB . THR A 1 135 ? 15.132 -14.850 5.968 1.00 16.49 ? 135 THR A CB 1 ATOM 1115 O OG1 . THR A 1 135 ? 16.376 -15.285 6.446 1.00 18.40 ? 135 THR A OG1 1 ATOM 1116 C CG2 . THR A 1 135 ? 14.982 -13.427 6.514 1.00 18.36 ? 135 THR A CG2 1 ATOM 1117 N N . VAL A 1 136 ? 13.414 -17.407 4.763 1.00 16.11 ? 136 VAL A N 1 ATOM 1118 C CA . VAL A 1 136 ? 13.545 -18.729 4.151 1.00 16.10 ? 136 VAL A CA 1 ATOM 1119 C C . VAL A 1 136 ? 14.714 -18.638 3.159 1.00 15.91 ? 136 VAL A C 1 ATOM 1120 O O . VAL A 1 136 ? 14.984 -17.552 2.646 1.00 17.83 ? 136 VAL A O 1 ATOM 1121 C CB . VAL A 1 136 ? 12.246 -19.164 3.495 1.00 18.19 ? 136 VAL A CB 1 ATOM 1122 C CG1 . VAL A 1 136 ? 11.043 -18.974 4.451 1.00 20.45 ? 136 VAL A CG1 1 ATOM 1123 C CG2 . VAL A 1 136 ? 11.963 -18.369 2.309 1.00 19.50 ? 136 VAL A CG2 1 ATOM 1124 N N . PRO A 1 137 ? 15.370 -19.757 2.905 1.00 14.81 ? 137 PRO A N 1 ATOM 1125 C CA . PRO A 1 137 ? 16.511 -19.637 1.991 1.00 15.67 ? 137 PRO A CA 1 ATOM 1126 C C . PRO A 1 137 ? 16.059 -19.099 0.621 1.00 15.84 ? 137 PRO A C 1 ATOM 1127 O O . PRO A 1 137 ? 14.998 -19.454 0.131 1.00 15.10 ? 137 PRO A O 1 ATOM 1128 C CB . PRO A 1 137 ? 17.069 -21.042 1.924 1.00 17.63 ? 137 PRO A CB 1 ATOM 1129 C CG . PRO A 1 137 ? 16.485 -21.805 3.157 1.00 18.75 ? 137 PRO A CG 1 ATOM 1130 C CD . PRO A 1 137 ? 15.111 -21.135 3.358 1.00 14.51 ? 137 PRO A CD 1 ATOM 1131 N N . GLY A 1 138 ? 16.831 -18.166 0.077 1.00 13.63 ? 138 GLY A N 1 ATOM 1132 C CA . GLY A 1 138 ? 16.448 -17.568 -1.224 1.00 14.60 ? 138 GLY A CA 1 ATOM 1133 C C . GLY A 1 138 ? 15.867 -16.181 -0.991 1.00 14.03 ? 138 GLY A C 1 ATOM 1134 O O . GLY A 1 138 ? 15.758 -15.430 -1.926 1.00 14.37 ? 138 GLY A O 1 ATOM 1135 N N . ALA A 1 139 ? 15.457 -15.874 0.227 1.00 13.55 ? 139 ALA A N 1 ATOM 1136 C CA . ALA A 1 139 ? 14.861 -14.543 0.494 1.00 14.31 ? 139 ALA A CA 1 ATOM 1137 C C . ALA A 1 139 ? 15.922 -13.439 0.409 1.00 15.61 ? 139 ALA A C 1 ATOM 1138 O O . ALA A 1 139 ? 17.110 -13.679 0.618 1.00 16.87 ? 139 ALA A O 1 ATOM 1139 C CB . ALA A 1 139 ? 14.207 -14.517 1.867 1.00 15.56 ? 139 ALA A CB 1 ATOM 1140 N N . PRO A 1 140 ? 15.490 -12.251 0.024 1.00 15.45 ? 140 PRO A N 1 ATOM 1141 C CA . PRO A 1 140 ? 16.458 -11.144 -0.189 1.00 16.05 ? 140 PRO A CA 1 ATOM 1142 C C . PRO A 1 140 ? 17.245 -10.852 1.092 1.00 15.91 ? 140 PRO A C 1 ATOM 1143 O O . PRO A 1 140 ? 16.688 -10.863 2.200 1.00 15.74 ? 140 PRO A O 1 ATOM 1144 C CB . PRO A 1 140 ? 15.525 -9.970 -0.434 1.00 17.79 ? 140 PRO A CB 1 ATOM 1145 C CG . PRO A 1 140 ? 14.277 -10.470 -0.926 1.00 20.63 ? 140 PRO A CG 1 ATOM 1146 C CD . PRO A 1 140 ? 14.120 -11.893 -0.363 1.00 17.31 ? 140 PRO A CD 1 ATOM 1147 N N . SER A 1 141 ? 18.528 -10.567 0.956 1.00 15.00 ? 141 SER A N 1 ATOM 1148 C CA . SER A 1 141 ? 19.364 -10.435 2.156 1.00 15.35 ? 141 SER A CA 1 ATOM 1149 C C . SER A 1 141 ? 19.010 -9.222 3.041 1.00 11.27 ? 141 SER A C 1 ATOM 1150 O O . SER A 1 141 ? 19.347 -9.247 4.219 1.00 13.22 ? 141 SER A O 1 ATOM 1151 C CB . SER A 1 141 ? 20.825 -10.432 1.795 1.00 15.10 ? 141 SER A CB 1 ATOM 1152 O OG . SER A 1 141 ? 21.145 -9.329 0.998 1.00 18.90 ? 141 SER A OG 1 ATOM 1153 N N . TRP A 1 142 ? 18.341 -8.212 2.486 1.00 13.96 ? 142 TRP A N 1 ATOM 1154 C CA . TRP A 1 142 ? 17.994 -7.038 3.245 1.00 13.46 ? 142 TRP A CA 1 ATOM 1155 C C . TRP A 1 142 ? 16.962 -7.359 4.332 1.00 14.66 ? 142 TRP A C 1 ATOM 1156 O O . TRP A 1 142 ? 16.849 -6.574 5.265 1.00 15.15 ? 142 TRP A O 1 ATOM 1157 C CB . TRP A 1 142 ? 17.516 -5.880 2.321 1.00 15.34 ? 142 TRP A CB 1 ATOM 1158 C CG . TRP A 1 142 ? 16.208 -6.119 1.677 1.00 17.51 ? 142 TRP A CG 1 ATOM 1159 C CD1 . TRP A 1 142 ? 15.945 -6.641 0.392 1.00 20.04 ? 142 TRP A CD1 1 ATOM 1160 C CD2 . TRP A 1 142 ? 14.942 -5.729 2.206 1.00 23.63 ? 142 TRP A CD2 1 ATOM 1161 N NE1 . TRP A 1 142 ? 14.591 -6.628 0.162 1.00 23.15 ? 142 TRP A NE1 1 ATOM 1162 C CE2 . TRP A 1 142 ? 13.957 -6.099 1.262 1.00 25.93 ? 142 TRP A CE2 1 ATOM 1163 C CE3 . TRP A 1 142 ? 14.548 -5.131 3.424 1.00 27.83 ? 142 TRP A CE3 1 ATOM 1164 C CZ2 . TRP A 1 142 ? 12.609 -5.865 1.490 1.00 33.90 ? 142 TRP A CZ2 1 ATOM 1165 C CZ3 . TRP A 1 142 ? 13.208 -4.858 3.633 1.00 34.60 ? 142 TRP A CZ3 1 ATOM 1166 C CH2 . TRP A 1 142 ? 12.255 -5.250 2.679 1.00 35.71 ? 142 TRP A CH2 1 ATOM 1167 N N . LEU A 1 143 ? 16.294 -8.533 4.261 1.00 11.78 ? 143 LEU A N 1 ATOM 1168 C CA . LEU A 1 143 ? 15.374 -8.925 5.326 1.00 14.64 ? 143 LEU A CA 1 ATOM 1169 C C . LEU A 1 143 ? 16.081 -9.408 6.574 1.00 14.20 ? 143 LEU A C 1 ATOM 1170 O O . LEU A 1 143 ? 15.447 -9.448 7.651 1.00 14.53 ? 143 LEU A O 1 ATOM 1171 C CB . LEU A 1 143 ? 14.366 -9.989 4.857 1.00 14.64 ? 143 LEU A CB 1 ATOM 1172 C CG . LEU A 1 143 ? 13.395 -9.453 3.816 1.00 19.75 ? 143 LEU A CG 1 ATOM 1173 C CD1 . LEU A 1 143 ? 12.685 -10.626 3.082 1.00 26.23 ? 143 LEU A CD1 1 ATOM 1174 C CD2 . LEU A 1 143 ? 12.335 -8.445 4.436 1.00 26.18 ? 143 LEU A CD2 1 ATOM 1175 N N . ASP A 1 144 ? 17.368 -9.773 6.503 1.00 13.91 ? 144 ASP A N 1 ATOM 1176 C CA . ASP A 1 144 ? 17.998 -10.430 7.657 1.00 16.80 ? 144 ASP A CA 1 ATOM 1177 C C . ASP A 1 144 ? 17.994 -9.545 8.859 1.00 16.73 ? 144 ASP A C 1 ATOM 1178 O O . ASP A 1 144 ? 17.639 -10.005 9.927 1.00 17.51 ? 144 ASP A O 1 ATOM 1179 C CB . ASP A 1 144 ? 19.431 -10.830 7.359 1.00 16.94 ? 144 ASP A CB 1 ATOM 1180 C CG . ASP A 1 144 ? 19.511 -11.953 6.320 1.00 18.68 ? 144 ASP A CG 1 ATOM 1181 O OD1 . ASP A 1 144 ? 18.476 -12.544 6.036 1.00 21.83 ? 144 ASP A OD1 1 ATOM 1182 O OD2 . ASP A 1 144 ? 20.580 -12.208 5.707 1.00 19.09 ? 144 ASP A OD2 1 ATOM 1183 N N . LEU A 1 145 ? 18.406 -8.275 8.692 1.00 16.08 ? 145 LEU A N 1 ATOM 1184 C CA . LEU A 1 145 ? 18.509 -7.285 9.773 1.00 17.91 ? 145 LEU A CA 1 ATOM 1185 C C . LEU A 1 145 ? 17.141 -6.967 10.475 1.00 18.35 ? 145 LEU A C 1 ATOM 1186 O O . LEU A 1 145 ? 17.017 -7.128 11.704 1.00 17.15 ? 145 LEU A O 1 ATOM 1187 C CB . LEU A 1 145 ? 19.190 -6.009 9.268 1.00 17.18 ? 145 LEU A CB 1 ATOM 1188 C CG . LEU A 1 145 ? 19.400 -4.951 10.361 1.00 22.20 ? 145 LEU A CG 1 ATOM 1189 C CD1 . LEU A 1 145 ? 20.182 -5.562 11.530 1.00 20.56 ? 145 LEU A CD1 1 ATOM 1190 C CD2 . LEU A 1 145 ? 20.101 -3.736 9.683 1.00 28.93 ? 145 LEU A CD2 1 ATOM 1191 N N . PRO A 1 146 ? 16.107 -6.605 9.722 1.00 17.27 ? 146 PRO A N 1 ATOM 1192 C CA . PRO A 1 146 ? 14.764 -6.419 10.350 1.00 16.94 ? 146 PRO A CA 1 ATOM 1193 C C . PRO A 1 146 ? 14.251 -7.697 11.022 1.00 18.05 ? 146 PRO A C 1 ATOM 1194 O O . PRO A 1 146 ? 13.563 -7.614 12.063 1.00 17.84 ? 146 PRO A O 1 ATOM 1195 C CB . PRO A 1 146 ? 13.853 -6.106 9.213 1.00 19.86 ? 146 PRO A CB 1 ATOM 1196 C CG . PRO A 1 146 ? 14.689 -5.995 8.015 1.00 17.40 ? 146 PRO A CG 1 ATOM 1197 C CD . PRO A 1 146 ? 16.101 -6.341 8.276 1.00 17.67 ? 146 PRO A CD 1 ATOM 1198 N N . ILE A 1 147 ? 14.582 -8.890 10.498 1.00 15.24 ? 147 ILE A N 1 ATOM 1199 C CA . ILE A 1 147 ? 14.069 -10.114 11.184 1.00 14.49 ? 147 ILE A CA 1 ATOM 1200 C C . ILE A 1 147 ? 14.892 -10.276 12.501 1.00 12.73 ? 147 ILE A C 1 ATOM 1201 O O . ILE A 1 147 ? 14.341 -10.682 13.532 1.00 15.20 ? 147 ILE A O 1 ATOM 1202 C CB . ILE A 1 147 ? 14.205 -11.365 10.272 1.00 16.04 ? 147 ILE A CB 1 ATOM 1203 C CG1 . ILE A 1 147 ? 13.159 -11.314 9.167 1.00 17.44 ? 147 ILE A CG1 1 ATOM 1204 C CG2 . ILE A 1 147 ? 14.177 -12.642 11.063 1.00 17.77 ? 147 ILE A CG2 1 ATOM 1205 C CD1 . ILE A 1 147 ? 11.727 -11.264 9.640 1.00 26.10 ? 147 ILE A CD1 1 ATOM 1206 N N . LYS A 1 148 ? 16.186 -9.942 12.498 1.00 12.34 ? 148 LYS A N 1 ATOM 1207 C CA . LYS A 1 148 ? 16.996 -10.093 13.706 1.00 14.01 ? 148 LYS A CA 1 ATOM 1208 C C . LYS A 1 148 ? 16.415 -9.135 14.776 1.00 15.40 ? 148 LYS A C 1 ATOM 1209 O O . LYS A 1 148 ? 16.233 -9.484 15.979 1.00 14.47 ? 148 LYS A O 1 ATOM 1210 C CB . LYS A 1 148 ? 18.466 -9.774 13.363 1.00 16.77 ? 148 LYS A CB 1 ATOM 1211 C CG . LYS A 1 148 ? 19.478 -9.986 14.486 1.00 18.86 ? 148 LYS A CG 1 ATOM 1212 C CD . LYS A 1 148 ? 19.635 -8.847 15.377 1.00 28.82 ? 148 LYS A CD 1 ATOM 1213 C CE . LYS A 1 148 ? 21.115 -8.828 15.932 1.00 33.40 ? 148 LYS A CE 1 ATOM 1214 N NZ . LYS A 1 148 ? 21.206 -7.641 16.769 1.00 31.83 ? 148 LYS A NZ 1 ATOM 1215 N N . VAL A 1 149 ? 16.090 -7.926 14.344 1.00 16.69 ? 149 VAL A N 1 ATOM 1216 C CA . VAL A 1 149 ? 15.510 -6.977 15.279 1.00 18.15 ? 149 VAL A CA 1 ATOM 1217 C C . VAL A 1 149 ? 14.124 -7.430 15.831 1.00 17.94 ? 149 VAL A C 1 ATOM 1218 O O . VAL A 1 149 ? 13.816 -7.294 17.051 1.00 17.53 ? 149 VAL A O 1 ATOM 1219 C CB . VAL A 1 149 ? 15.414 -5.545 14.645 1.00 20.05 ? 149 VAL A CB 1 ATOM 1220 C CG1 . VAL A 1 149 ? 14.601 -4.621 15.560 1.00 24.15 ? 149 VAL A CG1 1 ATOM 1221 C CG2 . VAL A 1 149 ? 16.850 -4.959 14.349 1.00 20.60 ? 149 VAL A CG2 1 ATOM 1222 N N . LEU A 1 150 ? 13.275 -7.978 14.972 1.00 15.87 ? 150 LEU A N 1 ATOM 1223 C CA . LEU A 1 150 ? 12.013 -8.482 15.430 1.00 17.24 ? 150 LEU A CA 1 ATOM 1224 C C . LEU A 1 150 ? 12.228 -9.644 16.430 1.00 15.77 ? 150 LEU A C 1 ATOM 1225 O O . LEU A 1 150 ? 11.483 -9.776 17.427 1.00 15.56 ? 150 LEU A O 1 ATOM 1226 C CB . LEU A 1 150 ? 11.211 -8.910 14.186 1.00 18.28 ? 150 LEU A CB 1 ATOM 1227 C CG . LEU A 1 150 ? 9.883 -9.552 14.429 1.00 20.47 ? 150 LEU A CG 1 ATOM 1228 C CD1 . LEU A 1 150 ? 8.954 -8.526 15.123 1.00 23.85 ? 150 LEU A CD1 1 ATOM 1229 C CD2 . LEU A 1 150 ? 9.338 -9.927 13.051 1.00 21.35 ? 150 LEU A CD2 1 ATOM 1230 N N . ASN A 1 151 ? 13.244 -10.471 16.211 1.00 14.80 ? 151 ASN A N 1 ATOM 1231 C CA . ASN A 1 151 ? 13.490 -11.574 17.189 1.00 15.04 ? 151 ASN A CA 1 ATOM 1232 C C . ASN A 1 151 ? 13.942 -11.119 18.547 1.00 14.66 ? 151 ASN A C 1 ATOM 1233 O O . ASN A 1 151 ? 13.894 -11.914 19.512 1.00 15.32 ? 151 ASN A O 1 ATOM 1234 C CB . ASN A 1 151 ? 14.524 -12.551 16.612 1.00 16.32 ? 151 ASN A CB 1 ATOM 1235 C CG . ASN A 1 151 ? 13.889 -13.511 15.623 1.00 18.67 ? 151 ASN A CG 1 ATOM 1236 O OD1 . ASN A 1 151 ? 12.731 -13.902 15.827 1.00 18.23 ? 151 ASN A OD1 1 ATOM 1237 N ND2 . ASN A 1 151 ? 14.632 -13.905 14.554 1.00 13.03 ? 151 ASN A ND2 1 ATOM 1238 N N . ALA A 1 152 ? 14.421 -9.885 18.658 1.00 14.21 ? 152 ALA A N 1 ATOM 1239 C CA . ALA A 1 152 ? 14.843 -9.334 19.977 1.00 16.43 ? 152 ALA A CA 1 ATOM 1240 C C . ALA A 1 152 ? 13.619 -8.918 20.772 1.00 17.07 ? 152 ALA A C 1 ATOM 1241 O O . ALA A 1 152 ? 13.755 -8.690 21.989 1.00 17.67 ? 152 ALA A O 1 ATOM 1242 C CB . ALA A 1 152 ? 15.764 -8.078 19.756 1.00 18.09 ? 152 ALA A CB 1 ATOM 1243 N N . ASP A 1 153 ? 12.445 -8.847 20.120 1.00 15.03 ? 153 ASP A N 1 ATOM 1244 C CA . ASP A 1 153 ? 11.201 -8.454 20.803 1.00 13.44 ? 153 ASP A CA 1 ATOM 1245 C C . ASP A 1 153 ? 10.606 -9.682 21.480 1.00 13.55 ? 153 ASP A C 1 ATOM 1246 O O . ASP A 1 153 ? 9.844 -10.431 20.877 1.00 13.59 ? 153 ASP A O 1 ATOM 1247 C CB . ASP A 1 153 ? 10.231 -7.747 19.848 1.00 13.81 ? 153 ASP A CB 1 ATOM 1248 C CG . ASP A 1 153 ? 8.916 -7.319 20.529 1.00 18.00 ? 153 ASP A CG 1 ATOM 1249 O OD1 . ASP A 1 153 ? 8.729 -7.664 21.705 1.00 18.91 ? 153 ASP A OD1 1 ATOM 1250 O OD2 . ASP A 1 153 ? 8.067 -6.746 19.840 1.00 19.42 ? 153 ASP A OD2 1 ATOM 1251 N N . GLN A 1 154 ? 11.006 -9.895 22.753 1.00 13.91 ? 154 GLN A N 1 ATOM 1252 C CA . GLN A 1 154 ? 10.684 -11.163 23.406 1.00 15.36 ? 154 GLN A CA 1 ATOM 1253 C C . GLN A 1 154 ? 9.203 -11.254 23.589 1.00 15.95 ? 154 GLN A C 1 ATOM 1254 O O . GLN A 1 154 ? 8.624 -12.373 23.627 1.00 14.70 ? 154 GLN A O 1 ATOM 1255 C CB . GLN A 1 154 ? 11.285 -11.191 24.812 1.00 15.06 ? 154 GLN A CB 1 ATOM 1256 C CG . GLN A 1 154 ? 12.769 -11.449 24.888 1.00 19.29 ? 154 GLN A CG 1 ATOM 1257 C CD . GLN A 1 154 ? 13.232 -11.383 26.343 1.00 23.21 ? 154 GLN A CD 1 ATOM 1258 O OE1 . GLN A 1 154 ? 13.680 -10.334 26.815 1.00 25.54 ? 154 GLN A OE1 1 ATOM 1259 N NE2 . GLN A 1 154 ? 13.067 -12.490 27.060 1.00 22.72 ? 154 GLN A NE2 1 ATOM 1260 N N . GLY A 1 155 ? 8.601 -10.101 23.881 1.00 14.70 ? 155 GLY A N 1 ATOM 1261 C CA . GLY A 1 155 ? 7.165 -10.084 24.104 1.00 15.58 ? 155 GLY A CA 1 ATOM 1262 C C . GLY A 1 155 ? 6.360 -10.517 22.886 1.00 15.05 ? 155 GLY A C 1 ATOM 1263 O O . GLY A 1 155 ? 5.389 -11.230 22.984 1.00 14.26 ? 155 GLY A O 1 ATOM 1264 N N . THR A 1 156 ? 6.742 -10.006 21.715 1.00 13.19 ? 156 THR A N 1 ATOM 1265 C CA . THR A 1 156 ? 6.059 -10.391 20.515 1.00 13.83 ? 156 THR A CA 1 ATOM 1266 C C . THR A 1 156 ? 6.306 -11.862 20.272 1.00 12.72 ? 156 THR A C 1 ATOM 1267 O O . THR A 1 156 ? 5.378 -12.595 19.930 1.00 13.92 ? 156 THR A O 1 ATOM 1268 C CB . THR A 1 156 ? 6.510 -9.501 19.311 1.00 14.52 ? 156 THR A CB 1 ATOM 1269 O OG1 . THR A 1 156 ? 5.905 -8.214 19.487 1.00 17.80 ? 156 THR A OG1 1 ATOM 1270 C CG2 . THR A 1 156 ? 6.008 -10.129 18.043 1.00 15.06 ? 156 THR A CG2 1 ATOM 1271 N N . SER A 1 157 ? 7.532 -12.337 20.485 1.00 13.74 ? 157 SER A N 1 ATOM 1272 C CA . SER A 1 157 ? 7.790 -13.763 20.296 1.00 14.21 ? 157 SER A CA 1 ATOM 1273 C C . SER A 1 157 ? 6.886 -14.646 21.222 1.00 13.80 ? 157 SER A C 1 ATOM 1274 O O . SER A 1 157 ? 6.329 -15.643 20.820 1.00 13.50 ? 157 SER A O 1 ATOM 1275 C CB . SER A 1 157 ? 9.274 -14.054 20.535 1.00 14.90 ? 157 SER A CB 1 ATOM 1276 O OG . SER A 1 157 ? 9.569 -15.417 20.319 1.00 19.90 ? 157 SER A OG 1 ATOM 1277 N N . ALA A 1 158 ? 6.767 -14.262 22.473 1.00 14.77 ? 158 ALA A N 1 ATOM 1278 C CA . ALA A 1 158 ? 5.917 -15.015 23.393 1.00 13.80 ? 158 ALA A CA 1 ATOM 1279 C C . ALA A 1 158 ? 4.468 -15.004 23.027 1.00 14.36 ? 158 ALA A C 1 ATOM 1280 O O . ALA A 1 158 ? 3.750 -16.018 23.183 1.00 14.61 ? 158 ALA A O 1 ATOM 1281 C CB . ALA A 1 158 ? 6.145 -14.496 24.865 1.00 13.53 ? 158 ALA A CB 1 ATOM 1282 N N . THR A 1 159 ? 3.989 -13.855 22.548 1.00 13.43 ? 159 THR A N 1 ATOM 1283 C CA . THR A 1 159 ? 2.644 -13.750 22.088 1.00 15.08 ? 159 THR A CA 1 ATOM 1284 C C . THR A 1 159 ? 2.392 -14.655 20.898 1.00 13.24 ? 159 THR A C 1 ATOM 1285 O O . THR A 1 159 ? 1.378 -15.343 20.808 1.00 15.02 ? 159 THR A O 1 ATOM 1286 C CB . THR A 1 159 ? 2.322 -12.285 21.743 1.00 13.07 ? 159 THR A CB 1 ATOM 1287 O OG1 . THR A 1 159 ? 2.446 -11.520 22.914 1.00 19.45 ? 159 THR A OG1 1 ATOM 1288 C CG2 . THR A 1 159 ? 0.891 -12.083 21.326 1.00 17.40 ? 159 THR A CG2 1 ATOM 1289 N N . VAL A 1 160 ? 3.322 -14.638 19.933 1.00 14.66 ? 160 VAL A N 1 ATOM 1290 C CA . VAL A 1 160 ? 3.118 -15.455 18.724 1.00 14.79 ? 160 VAL A CA 1 ATOM 1291 C C . VAL A 1 160 ? 3.177 -16.933 19.042 1.00 15.83 ? 160 VAL A C 1 ATOM 1292 O O . VAL A 1 160 ? 2.312 -17.720 18.560 1.00 16.89 ? 160 VAL A O 1 ATOM 1293 C CB . VAL A 1 160 ? 4.134 -15.069 17.649 1.00 16.67 ? 160 VAL A CB 1 ATOM 1294 C CG1 . VAL A 1 160 ? 4.091 -16.085 16.429 1.00 19.32 ? 160 VAL A CG1 1 ATOM 1295 C CG2 . VAL A 1 160 ? 3.880 -13.646 17.174 1.00 16.02 ? 160 VAL A CG2 1 ATOM 1296 N N . GLN A 1 161 ? 4.151 -17.334 19.912 1.00 13.60 ? 161 GLN A N 1 ATOM 1297 C CA . GLN A 1 161 ? 4.230 -18.726 20.345 1.00 14.90 ? 161 GLN A CA 1 ATOM 1298 C C . GLN A 1 161 ? 2.902 -19.136 21.066 1.00 15.81 ? 161 GLN A C 1 ATOM 1299 O O . GLN A 1 161 ? 2.361 -20.205 20.781 1.00 16.80 ? 161 GLN A O 1 ATOM 1300 C CB . GLN A 1 161 ? 5.386 -18.958 21.309 1.00 13.39 ? 161 GLN A CB 1 ATOM 1301 C CG . GLN A 1 161 ? 6.782 -18.894 20.644 1.00 15.35 ? 161 GLN A CG 1 ATOM 1302 C CD . GLN A 1 161 ? 7.809 -18.948 21.755 1.00 15.86 ? 161 GLN A CD 1 ATOM 1303 O OE1 . GLN A 1 161 ? 7.804 -19.868 22.574 1.00 17.50 ? 161 GLN A OE1 1 ATOM 1304 N NE2 . GLN A 1 161 ? 8.687 -17.932 21.828 1.00 15.57 ? 161 GLN A NE2 1 ATOM 1305 N N . MET A 1 162 ? 2.298 -18.252 21.895 1.00 15.68 ? 162 MET A N 1 ATOM 1306 C CA . MET A 1 162 ? 0.989 -18.551 22.487 1.00 16.34 ? 162 MET A CA 1 ATOM 1307 C C . MET A 1 162 ? -0.065 -18.680 21.403 1.00 15.52 ? 162 MET A C 1 ATOM 1308 O O . MET A 1 162 ? -0.823 -19.622 21.422 1.00 15.57 ? 162 MET A O 1 ATOM 1309 C CB . MET A 1 162 ? 0.509 -17.393 23.408 1.00 15.50 ? 162 MET A CB 1 ATOM 1310 C CG . MET A 1 162 ? -0.914 -17.459 23.991 1.00 19.50 ? 162 MET A CG 1 ATOM 1311 S SD . MET A 1 162 ? -1.295 -15.886 24.864 1.00 19.34 ? 162 MET A SD 1 ATOM 1312 C CE . MET A 1 162 ? -1.691 -14.992 23.345 1.00 22.97 ? 162 MET A CE 1 ATOM 1313 N N . LEU A 1 163 ? -0.100 -17.717 20.485 1.00 15.45 ? 163 LEU A N 1 ATOM 1314 C CA . LEU A 1 163 ? -1.169 -17.732 19.446 1.00 17.34 ? 163 LEU A CA 1 ATOM 1315 C C . LEU A 1 163 ? -1.136 -18.990 18.598 1.00 17.71 ? 163 LEU A C 1 ATOM 1316 O O . LEU A 1 163 ? -2.177 -19.585 18.367 1.00 19.55 ? 163 LEU A O 1 ATOM 1317 C CB . LEU A 1 163 ? -1.101 -16.450 18.595 1.00 17.89 ? 163 LEU A CB 1 ATOM 1318 C CG . LEU A 1 163 ? -1.595 -15.212 19.310 1.00 18.03 ? 163 LEU A CG 1 ATOM 1319 C CD1 . LEU A 1 163 ? -1.231 -14.052 18.444 1.00 18.80 ? 163 LEU A CD1 1 ATOM 1320 C CD2 . LEU A 1 163 ? -3.112 -15.166 19.462 1.00 20.93 ? 163 LEU A CD2 1 ATOM 1321 N N . LEU A 1 164 ? 0.058 -19.423 18.181 1.00 17.08 ? 164 LEU A N 1 ATOM 1322 C CA . LEU A 1 164 ? 0.265 -20.581 17.301 1.00 18.01 ? 164 LEU A CA 1 ATOM 1323 C C . LEU A 1 164 ? 0.087 -21.870 18.058 1.00 18.29 ? 164 LEU A C 1 ATOM 1324 O O . LEU A 1 164 ? -0.714 -22.707 17.658 1.00 20.35 ? 164 LEU A O 1 ATOM 1325 C CB . LEU A 1 164 ? 1.658 -20.576 16.640 1.00 17.14 ? 164 LEU A CB 1 ATOM 1326 C CG . LEU A 1 164 ? 1.858 -19.407 15.676 1.00 18.56 ? 164 LEU A CG 1 ATOM 1327 C CD1 . LEU A 1 164 ? 3.224 -19.382 15.096 1.00 23.48 ? 164 LEU A CD1 1 ATOM 1328 C CD2 . LEU A 1 164 ? 0.788 -19.348 14.521 1.00 21.73 ? 164 LEU A CD2 1 ATOM 1329 N N . ASN A 1 165 ? 0.742 -21.985 19.212 1.00 19.02 ? 165 ASN A N 1 ATOM 1330 C CA . ASN A 1 165 ? 0.803 -23.291 19.941 1.00 19.39 ? 165 ASN A CA 1 ATOM 1331 C C . ASN A 1 165 ? -0.461 -23.550 20.771 1.00 20.06 ? 165 ASN A C 1 ATOM 1332 O O . ASN A 1 165 ? -0.823 -24.698 20.989 1.00 22.35 ? 165 ASN A O 1 ATOM 1333 C CB . ASN A 1 165 ? 1.960 -23.316 20.944 1.00 18.48 ? 165 ASN A CB 1 ATOM 1334 C CG . ASN A 1 165 ? 3.343 -23.286 20.309 1.00 19.07 ? 165 ASN A CG 1 ATOM 1335 O OD1 . ASN A 1 165 ? 3.491 -23.003 19.126 1.00 20.21 ? 165 ASN A OD1 1 ATOM 1336 N ND2 . ASN A 1 165 ? 4.388 -23.574 21.144 1.00 17.02 ? 165 ASN A ND2 1 ATOM 1337 N N . ASP A 1 166 ? -1.136 -22.486 21.215 1.00 20.24 ? 166 ASP A N 1 ATOM 1338 C CA . ASP A 1 166 ? -2.294 -22.573 22.124 1.00 19.35 ? 166 ASP A CA 1 ATOM 1339 C C . ASP A 1 166 ? -3.611 -21.961 21.698 1.00 19.62 ? 166 ASP A C 1 ATOM 1340 O O . ASP A 1 166 ? -4.646 -22.637 21.731 1.00 18.59 ? 166 ASP A O 1 ATOM 1341 C CB . ASP A 1 166 ? -1.873 -22.020 23.489 1.00 18.50 ? 166 ASP A CB 1 ATOM 1342 C CG . ASP A 1 166 ? -0.652 -22.758 24.021 1.00 23.60 ? 166 ASP A CG 1 ATOM 1343 O OD1 . ASP A 1 166 ? -0.709 -23.992 24.148 1.00 27.90 ? 166 ASP A OD1 1 ATOM 1344 O OD2 . ASP A 1 166 ? 0.374 -22.145 24.345 1.00 27.22 ? 166 ASP A OD2 1 ATOM 1345 N N . THR A 1 167 ? -3.614 -20.657 21.435 1.00 19.53 ? 167 THR A N 1 ATOM 1346 C CA . THR A 1 167 ? -4.875 -19.975 21.085 1.00 19.68 ? 167 THR A CA 1 ATOM 1347 C C . THR A 1 167 ? -5.497 -20.651 19.876 1.00 20.31 ? 167 THR A C 1 ATOM 1348 O O . THR A 1 167 ? -6.715 -20.894 19.851 1.00 19.54 ? 167 THR A O 1 ATOM 1349 C CB . THR A 1 167 ? -4.620 -18.470 20.783 1.00 20.11 ? 167 THR A CB 1 ATOM 1350 O OG1 . THR A 1 167 ? -3.752 -17.929 21.788 1.00 18.60 ? 167 THR A OG1 1 ATOM 1351 C CG2 . THR A 1 167 ? -5.917 -17.637 20.834 1.00 18.04 ? 167 THR A CG2 1 ATOM 1352 N N . CYS A 1 168 ? -4.684 -20.893 18.840 1.00 20.68 ? 168 CYS A N 1 ATOM 1353 C CA . CYS A 1 168 ? -5.229 -21.442 17.559 1.00 20.52 ? 168 CYS A CA 1 ATOM 1354 C C . CYS A 1 168 ? -5.969 -22.743 17.711 1.00 20.02 ? 168 CYS A C 1 ATOM 1355 O O . CYS A 1 168 ? -7.179 -22.769 17.479 1.00 19.45 ? 168 CYS A O 1 ATOM 1356 C CB . CYS A 1 168 ? -4.134 -21.575 16.510 1.00 22.06 ? 168 CYS A CB 1 ATOM 1357 S SG . CYS A 1 168 ? -4.845 -21.841 14.812 1.00 25.43 ? 168 CYS A SG 1 ATOM 1358 N N . PRO A 1 169 ? -5.273 -23.838 18.152 1.00 20.41 ? 169 PRO A N 1 ATOM 1359 C CA . PRO A 1 169 ? -6.024 -25.076 18.271 1.00 20.37 ? 169 PRO A CA 1 ATOM 1360 C C . PRO A 1 169 ? -7.197 -24.996 19.263 1.00 20.75 ? 169 PRO A C 1 ATOM 1361 O O . PRO A 1 169 ? -8.225 -25.603 18.999 1.00 19.57 ? 169 PRO A O 1 ATOM 1362 C CB . PRO A 1 169 ? -4.960 -26.082 18.792 1.00 20.96 ? 169 PRO A CB 1 ATOM 1363 C CG . PRO A 1 169 ? -3.848 -25.208 19.381 1.00 22.45 ? 169 PRO A CG 1 ATOM 1364 C CD . PRO A 1 169 ? -3.833 -24.051 18.450 1.00 21.47 ? 169 PRO A CD 1 ATOM 1365 N N . LEU A 1 170 ? -7.029 -24.334 20.415 1.00 19.64 ? 170 LEU A N 1 ATOM 1366 C CA . LEU A 1 170 ? -8.171 -24.124 21.327 1.00 19.78 ? 170 LEU A CA 1 ATOM 1367 C C . LEU A 1 170 ? -9.390 -23.464 20.618 1.00 19.61 ? 170 LEU A C 1 ATOM 1368 O O . LEU A 1 170 ? -10.508 -23.977 20.701 1.00 20.09 ? 170 LEU A O 1 ATOM 1369 C CB . LEU A 1 170 ? -7.748 -23.287 22.531 1.00 20.04 ? 170 LEU A CB 1 ATOM 1370 C CG . LEU A 1 170 ? -8.867 -22.897 23.521 1.00 25.89 ? 170 LEU A CG 1 ATOM 1371 C CD1 . LEU A 1 170 ? -9.658 -24.076 24.085 1.00 30.19 ? 170 LEU A CD1 1 ATOM 1372 C CD2 . LEU A 1 170 ? -8.270 -22.024 24.680 1.00 29.84 ? 170 LEU A CD2 1 ATOM 1373 N N . PHE A 1 171 ? -9.175 -22.312 20.013 1.00 19.37 ? 171 PHE A N 1 ATOM 1374 C CA . PHE A 1 171 ? -10.231 -21.601 19.302 1.00 19.31 ? 171 PHE A CA 1 ATOM 1375 C C . PHE A 1 171 ? -10.883 -22.508 18.266 1.00 18.70 ? 171 PHE A C 1 ATOM 1376 O O . PHE A 1 171 ? -12.126 -22.572 18.158 1.00 17.18 ? 171 PHE A O 1 ATOM 1377 C CB . PHE A 1 171 ? -9.673 -20.419 18.544 1.00 19.35 ? 171 PHE A CB 1 ATOM 1378 C CG . PHE A 1 171 ? -10.754 -19.610 17.900 1.00 20.53 ? 171 PHE A CG 1 ATOM 1379 C CD1 . PHE A 1 171 ? -11.760 -19.024 18.694 1.00 18.20 ? 171 PHE A CD1 1 ATOM 1380 C CD2 . PHE A 1 171 ? -10.770 -19.401 16.509 1.00 21.56 ? 171 PHE A CD2 1 ATOM 1381 C CE1 . PHE A 1 171 ? -12.841 -18.243 18.032 1.00 20.42 ? 171 PHE A CE1 1 ATOM 1382 C CE2 . PHE A 1 171 ? -11.844 -18.661 15.887 1.00 24.01 ? 171 PHE A CE2 1 ATOM 1383 C CZ . PHE A 1 171 ? -12.816 -18.049 16.659 1.00 21.09 ? 171 PHE A CZ 1 ATOM 1384 N N . VAL A 1 172 ? -10.078 -23.152 17.440 1.00 17.79 ? 172 VAL A N 1 ATOM 1385 C CA . VAL A 1 172 ? -10.641 -24.004 16.388 1.00 19.50 ? 172 VAL A CA 1 ATOM 1386 C C . VAL A 1 172 ? -11.437 -25.205 16.968 1.00 19.64 ? 172 VAL A C 1 ATOM 1387 O O . VAL A 1 172 ? -12.460 -25.644 16.394 1.00 17.38 ? 172 VAL A O 1 ATOM 1388 C CB . VAL A 1 172 ? -9.537 -24.490 15.443 1.00 20.90 ? 172 VAL A CB 1 ATOM 1389 C CG1 . VAL A 1 172 ? -10.140 -25.290 14.288 1.00 24.20 ? 172 VAL A CG1 1 ATOM 1390 C CG2 . VAL A 1 172 ? -8.736 -23.262 14.885 1.00 20.48 ? 172 VAL A CG2 1 ATOM 1391 N N . ARG A 1 173 ? -10.953 -25.803 18.047 1.00 19.37 ? 173 ARG A N 1 ATOM 1392 C CA . ARG A 1 173 ? -11.800 -26.837 18.711 1.00 18.40 ? 173 ARG A CA 1 ATOM 1393 C C . ARG A 1 173 ? -13.173 -26.303 19.021 1.00 19.36 ? 173 ARG A C 1 ATOM 1394 O O . ARG A 1 173 ? -14.169 -26.969 18.802 1.00 19.99 ? 173 ARG A O 1 ATOM 1395 C CB . ARG A 1 173 ? -11.116 -27.408 19.980 1.00 19.95 ? 173 ARG A CB 1 ATOM 1396 C CG . ARG A 1 173 ? -9.994 -28.358 19.607 1.00 23.52 ? 173 ARG A CG 1 ATOM 1397 C CD . ARG A 1 173 ? -9.477 -29.194 20.809 1.00 33.63 ? 173 ARG A CD 1 ATOM 1398 N NE . ARG A 1 173 ? -8.092 -29.587 20.568 1.00 42.52 ? 173 ARG A NE 1 ATOM 1399 C CZ . ARG A 1 173 ? -7.675 -30.272 19.497 1.00 47.32 ? 173 ARG A CZ 1 ATOM 1400 N NH1 . ARG A 1 173 ? -8.554 -30.636 18.549 1.00 47.87 ? 173 ARG A NH1 1 ATOM 1401 N NH2 . ARG A 1 173 ? -6.371 -30.583 19.366 1.00 45.65 ? 173 ARG A NH2 1 ATOM 1402 N N . GLY A 1 174 ? -13.246 -25.060 19.453 1.00 19.48 ? 174 GLY A N 1 ATOM 1403 C CA . GLY A 1 174 ? -14.549 -24.448 19.752 1.00 18.36 ? 174 GLY A CA 1 ATOM 1404 C C . GLY A 1 174 ? -15.347 -24.211 18.495 1.00 18.94 ? 174 GLY A C 1 ATOM 1405 O O . GLY A 1 174 ? -16.578 -24.382 18.502 1.00 17.32 ? 174 GLY A O 1 ATOM 1406 N N . LEU A 1 175 ? -14.667 -23.843 17.404 1.00 18.45 ? 175 LEU A N 1 ATOM 1407 C CA . LEU A 1 175 ? -15.375 -23.623 16.129 1.00 20.14 ? 175 LEU A CA 1 ATOM 1408 C C . LEU A 1 175 ? -15.968 -24.937 15.589 1.00 20.89 ? 175 LEU A C 1 ATOM 1409 O O . LEU A 1 175 ? -17.085 -25.008 15.084 1.00 20.91 ? 175 LEU A O 1 ATOM 1410 C CB . LEU A 1 175 ? -14.413 -23.038 15.079 1.00 18.26 ? 175 LEU A CB 1 ATOM 1411 C CG . LEU A 1 175 ? -13.991 -21.589 15.163 1.00 18.92 ? 175 LEU A CG 1 ATOM 1412 C CD1 . LEU A 1 175 ? -13.033 -21.308 13.949 1.00 18.26 ? 175 LEU A CD1 1 ATOM 1413 C CD2 . LEU A 1 175 ? -15.182 -20.557 15.141 1.00 20.60 ? 175 LEU A CD2 1 ATOM 1414 N N . LEU A 1 176 ? -15.190 -25.995 15.714 1.00 21.21 ? 176 LEU A N 1 ATOM 1415 C CA . LEU A 1 176 ? -15.666 -27.267 15.256 1.00 22.41 ? 176 LEU A CA 1 ATOM 1416 C C . LEU A 1 176 ? -16.909 -27.713 16.014 1.00 22.06 ? 176 LEU A C 1 ATOM 1417 O O . LEU A 1 176 ? -17.809 -28.322 15.423 1.00 22.00 ? 176 LEU A O 1 ATOM 1418 C CB . LEU A 1 176 ? -14.531 -28.311 15.357 1.00 22.37 ? 176 LEU A CB 1 ATOM 1419 C CG . LEU A 1 176 ? -13.363 -28.216 14.352 1.00 27.80 ? 176 LEU A CG 1 ATOM 1420 C CD1 . LEU A 1 176 ? -12.322 -29.215 14.764 1.00 28.56 ? 176 LEU A CD1 1 ATOM 1421 C CD2 . LEU A 1 176 ? -13.787 -28.452 12.863 1.00 30.64 ? 176 LEU A CD2 1 ATOM 1422 N N . GLU A 1 177 ? -16.998 -27.423 17.318 1.00 21.39 ? 177 GLU A N 1 ATOM 1423 C CA . GLU A 1 177 ? -18.188 -27.794 18.063 1.00 20.45 ? 177 GLU A CA 1 ATOM 1424 C C . GLU A 1 177 ? -19.367 -26.872 17.720 1.00 19.63 ? 177 GLU A C 1 ATOM 1425 O O . GLU A 1 177 ? -20.477 -27.340 17.490 1.00 19.88 ? 177 GLU A O 1 ATOM 1426 C CB . GLU A 1 177 ? -17.893 -27.779 19.584 1.00 21.03 ? 177 GLU A CB 1 ATOM 1427 C CG . GLU A 1 177 ? -19.123 -28.026 20.472 1.00 23.10 ? 177 GLU A CG 1 ATOM 1428 C CD . GLU A 1 177 ? -18.864 -27.781 21.940 1.00 27.78 ? 177 GLU A CD 1 ATOM 1429 O OE1 . GLU A 1 177 ? -17.741 -28.074 22.399 1.00 29.69 ? 177 GLU A OE1 1 ATOM 1430 O OE2 . GLU A 1 177 ? -19.792 -27.319 22.664 1.00 28.39 ? 177 GLU A OE2 1 ATOM 1431 N N . ALA A 1 178 ? -19.098 -25.576 17.655 1.00 17.88 ? 178 ALA A N 1 ATOM 1432 C CA . ALA A 1 178 ? -20.186 -24.629 17.472 1.00 19.51 ? 178 ALA A CA 1 ATOM 1433 C C . ALA A 1 178 ? -20.749 -24.686 16.060 1.00 19.53 ? 178 ALA A C 1 ATOM 1434 O O . ALA A 1 178 ? -21.962 -24.390 15.862 1.00 21.00 ? 178 ALA A O 1 ATOM 1435 C CB . ALA A 1 178 ? -19.750 -23.172 17.833 1.00 17.03 ? 178 ALA A CB 1 ATOM 1436 N N . GLY A 1 179 ? -19.890 -25.052 15.105 1.00 19.77 ? 179 GLY A N 1 ATOM 1437 C CA . GLY A 1 179 ? -20.277 -25.075 13.656 1.00 19.62 ? 179 GLY A CA 1 ATOM 1438 C C . GLY A 1 179 ? -20.534 -26.432 13.040 1.00 20.44 ? 179 GLY A C 1 ATOM 1439 O O . GLY A 1 179 ? -20.577 -26.589 11.791 1.00 19.72 ? 179 GLY A O 1 ATOM 1440 N N . LYS A 1 180 ? -20.740 -27.402 13.935 1.00 19.93 ? 180 LYS A N 1 ATOM 1441 C CA . LYS A 1 180 ? -20.787 -28.788 13.570 1.00 21.01 ? 180 LYS A CA 1 ATOM 1442 C C . LYS A 1 180 ? -21.800 -29.034 12.476 1.00 21.03 ? 180 LYS A C 1 ATOM 1443 O O . LYS A 1 180 ? -21.493 -29.666 11.479 1.00 21.08 ? 180 LYS A O 1 ATOM 1444 C CB . LYS A 1 180 ? -21.153 -29.640 14.790 1.00 20.75 ? 180 LYS A CB 1 ATOM 1445 C CG . LYS A 1 180 ? -21.056 -31.105 14.482 1.00 25.09 ? 180 LYS A CG 1 ATOM 1446 C CD . LYS A 1 180 ? -21.409 -31.923 15.757 1.00 29.39 ? 180 LYS A CD 1 ATOM 1447 C CE . LYS A 1 180 ? -21.829 -33.360 15.429 1.00 33.57 ? 180 LYS A CE 1 ATOM 1448 N NZ . LYS A 1 180 ? -20.563 -34.017 14.953 1.00 37.19 ? 180 LYS A NZ 1 ATOM 1449 N N . SER A 1 181 ? -23.002 -28.475 12.613 1.00 21.27 ? 181 SER A N 1 ATOM 1450 C CA . SER A 1 181 ? -23.992 -28.755 11.614 1.00 23.00 ? 181 SER A CA 1 ATOM 1451 C C . SER A 1 181 ? -23.683 -28.099 10.277 1.00 22.35 ? 181 SER A C 1 ATOM 1452 O O . SER A 1 181 ? -24.088 -28.630 9.248 1.00 23.33 ? 181 SER A O 1 ATOM 1453 C CB . SER A 1 181 ? -25.441 -28.462 12.089 1.00 24.74 ? 181 SER A CB 1 ATOM 1454 O OG . SER A 1 181 ? -25.654 -27.065 12.068 1.00 29.82 ? 181 SER A OG 1 ATOM 1455 N N . ASP A 1 182 ? -22.979 -26.974 10.239 1.00 22.62 ? 182 ASP A N 1 ATOM 1456 C CA . ASP A 1 182 ? -22.577 -26.430 8.939 1.00 23.24 ? 182 ASP A CA 1 ATOM 1457 C C . ASP A 1 182 ? -21.399 -27.190 8.344 1.00 21.98 ? 182 ASP A C 1 ATOM 1458 O O . ASP A 1 182 ? -21.344 -27.465 7.135 1.00 21.12 ? 182 ASP A O 1 ATOM 1459 C CB . ASP A 1 182 ? -22.192 -24.979 9.028 1.00 24.31 ? 182 ASP A CB 1 ATOM 1460 C CG . ASP A 1 182 ? -23.360 -24.046 8.963 1.00 30.71 ? 182 ASP A CG 1 ATOM 1461 O OD1 . ASP A 1 182 ? -24.548 -24.476 8.698 1.00 30.87 ? 182 ASP A OD1 1 ATOM 1462 O OD2 . ASP A 1 182 ? -23.080 -22.833 9.141 1.00 32.85 ? 182 ASP A OD2 1 ATOM 1463 N N . LEU A 1 183 ? -20.458 -27.597 9.198 1.00 21.12 ? 183 LEU A N 1 ATOM 1464 C CA . LEU A 1 183 ? -19.272 -28.276 8.721 1.00 20.07 ? 183 LEU A CA 1 ATOM 1465 C C . LEU A 1 183 ? -19.611 -29.656 8.212 1.00 19.82 ? 183 LEU A C 1 ATOM 1466 O O . LEU A 1 183 ? -18.966 -30.111 7.266 1.00 19.04 ? 183 LEU A O 1 ATOM 1467 C CB . LEU A 1 183 ? -18.167 -28.356 9.823 1.00 21.59 ? 183 LEU A CB 1 ATOM 1468 C CG . LEU A 1 183 ? -17.681 -27.011 10.315 1.00 18.48 ? 183 LEU A CG 1 ATOM 1469 C CD1 . LEU A 1 183 ? -17.211 -26.984 11.802 1.00 21.15 ? 183 LEU A CD1 1 ATOM 1470 C CD2 . LEU A 1 183 ? -16.562 -26.422 9.362 1.00 19.63 ? 183 LEU A CD2 1 ATOM 1471 N N . GLU A 1 184 ? -20.660 -30.275 8.736 1.00 18.17 ? 184 GLU A N 1 ATOM 1472 C CA . GLU A 1 184 ? -21.018 -31.619 8.321 1.00 17.72 ? 184 GLU A CA 1 ATOM 1473 C C . GLU A 1 184 ? -22.195 -31.646 7.336 1.00 14.65 ? 184 GLU A C 1 ATOM 1474 O O . GLU A 1 184 ? -22.844 -32.693 7.087 1.00 14.98 ? 184 GLU A O 1 ATOM 1475 C CB . GLU A 1 184 ? -21.362 -32.481 9.567 1.00 19.04 ? 184 GLU A CB 1 ATOM 1476 C CG . GLU A 1 184 ? -20.199 -32.510 10.469 1.00 23.26 ? 184 GLU A CG 1 ATOM 1477 C CD . GLU A 1 184 ? -20.434 -33.422 11.646 1.00 27.13 ? 184 GLU A CD 1 ATOM 1478 O OE1 . GLU A 1 184 ? -21.581 -33.832 11.906 1.00 31.12 ? 184 GLU A OE1 1 ATOM 1479 O OE2 . GLU A 1 184 ? -19.439 -33.717 12.307 1.00 32.80 ? 184 GLU A OE2 1 ATOM 1480 N N . LYS A 1 185 ? -22.540 -30.484 6.796 1.00 14.63 ? 185 LYS A N 1 ATOM 1481 C CA . LYS A 1 185 ? -23.646 -30.403 5.851 1.00 15.62 ? 185 LYS A CA 1 ATOM 1482 C C . LYS A 1 185 ? -23.417 -31.264 4.583 1.00 15.14 ? 185 LYS A C 1 ATOM 1483 O O . LYS A 1 185 ? -22.269 -31.531 4.193 1.00 16.66 ? 185 LYS A O 1 ATOM 1484 C CB . LYS A 1 185 ? -23.979 -28.950 5.515 1.00 15.24 ? 185 LYS A CB 1 ATOM 1485 C CG . LYS A 1 185 ? -22.988 -28.339 4.549 1.00 19.37 ? 185 LYS A CG 1 ATOM 1486 C CD . LYS A 1 185 ? -23.462 -26.960 4.012 1.00 22.35 ? 185 LYS A CD 1 ATOM 1487 C CE . LYS A 1 185 ? -22.606 -26.574 2.796 1.00 26.51 ? 185 LYS A CE 1 ATOM 1488 N NZ . LYS A 1 185 ? -22.967 -25.251 2.191 1.00 26.03 ? 185 LYS A NZ 1 ATOM 1489 N N . GLN A 1 186 ? -24.531 -31.723 3.969 1.00 15.16 ? 186 GLN A N 1 ATOM 1490 C CA . GLN A 1 186 ? -24.475 -32.505 2.760 1.00 14.65 ? 186 GLN A CA 1 ATOM 1491 C C . GLN A 1 186 ? -25.397 -31.786 1.778 1.00 15.96 ? 186 GLN A C 1 ATOM 1492 O O . GLN A 1 186 ? -26.594 -31.490 2.102 1.00 16.82 ? 186 GLN A O 1 ATOM 1493 C CB . GLN A 1 186 ? -25.057 -33.935 3.053 1.00 15.57 ? 186 GLN A CB 1 ATOM 1494 C CG . GLN A 1 186 ? -24.167 -34.759 3.983 1.00 16.72 ? 186 GLN A CG 1 ATOM 1495 C CD . GLN A 1 186 ? -22.882 -35.224 3.276 1.00 15.82 ? 186 GLN A CD 1 ATOM 1496 O OE1 . GLN A 1 186 ? -22.866 -35.390 2.054 1.00 17.09 ? 186 GLN A OE1 1 ATOM 1497 N NE2 . GLN A 1 186 ? -21.818 -35.437 4.047 1.00 17.94 ? 186 GLN A NE2 1 ATOM 1498 N N . GLU A 1 187 ? -24.858 -31.441 0.627 1.00 15.87 ? 187 GLU A N 1 ATOM 1499 C CA . GLU A 1 187 ? -25.635 -30.829 -0.447 1.00 16.26 ? 187 GLU A CA 1 ATOM 1500 C C . GLU A 1 187 ? -25.435 -31.690 -1.689 1.00 16.24 ? 187 GLU A C 1 ATOM 1501 O O . GLU A 1 187 ? -24.323 -32.106 -2.008 1.00 14.82 ? 187 GLU A O 1 ATOM 1502 C CB . GLU A 1 187 ? -25.136 -29.408 -0.703 1.00 17.69 ? 187 GLU A CB 1 ATOM 1503 C CG . GLU A 1 187 ? -25.256 -28.474 0.542 1.00 17.93 ? 187 GLU A CG 1 ATOM 1504 C CD . GLU A 1 187 ? -26.695 -28.196 0.993 1.00 25.23 ? 187 GLU A CD 1 ATOM 1505 O OE1 . GLU A 1 187 ? -26.806 -27.771 2.143 1.00 29.78 ? 187 GLU A OE1 1 ATOM 1506 O OE2 . GLU A 1 187 ? -27.690 -28.445 0.288 1.00 25.73 ? 187 GLU A OE2 1 ATOM 1507 N N . LYS A 1 188 ? -26.547 -32.012 -2.375 1.00 18.07 ? 188 LYS A N 1 ATOM 1508 C CA . LYS A 1 188 ? -26.525 -32.966 -3.535 1.00 16.98 ? 188 LYS A CA 1 ATOM 1509 C C . LYS A 1 188 ? -26.130 -32.290 -4.844 1.00 18.97 ? 188 LYS A C 1 ATOM 1510 O O . LYS A 1 188 ? -26.623 -31.220 -5.174 1.00 21.82 ? 188 LYS A O 1 ATOM 1511 C CB . LYS A 1 188 ? -27.917 -33.620 -3.744 1.00 16.77 ? 188 LYS A CB 1 ATOM 1512 C CG . LYS A 1 188 ? -28.422 -34.350 -2.496 1.00 18.08 ? 188 LYS A CG 1 ATOM 1513 C CD . LYS A 1 188 ? -29.828 -34.943 -2.740 1.00 20.07 ? 188 LYS A CD 1 ATOM 1514 C CE . LYS A 1 188 ? -30.343 -35.501 -1.457 1.00 22.45 ? 188 LYS A CE 1 ATOM 1515 N NZ . LYS A 1 188 ? -31.587 -36.264 -1.714 1.00 20.82 ? 188 LYS A NZ 1 ATOM 1516 N N . PRO A 1 189 ? -25.264 -32.941 -5.583 1.00 20.44 ? 189 PRO A N 1 ATOM 1517 C CA . PRO A 1 189 ? -24.966 -32.476 -6.940 1.00 22.16 ? 189 PRO A CA 1 ATOM 1518 C C . PRO A 1 189 ? -26.144 -32.611 -7.894 1.00 21.74 ? 189 PRO A C 1 ATOM 1519 O O . PRO A 1 189 ? -27.030 -33.497 -7.695 1.00 19.34 ? 189 PRO A O 1 ATOM 1520 C CB . PRO A 1 189 ? -23.855 -33.385 -7.389 1.00 21.35 ? 189 PRO A CB 1 ATOM 1521 C CG . PRO A 1 189 ? -23.936 -34.578 -6.582 1.00 23.15 ? 189 PRO A CG 1 ATOM 1522 C CD . PRO A 1 189 ? -24.675 -34.249 -5.295 1.00 20.41 ? 189 PRO A CD 1 ATOM 1523 N N . VAL A 1 190 ? -26.144 -31.747 -8.926 1.00 22.67 ? 190 VAL A N 1 ATOM 1524 C CA . VAL A 1 190 ? -27.007 -31.988 -10.120 1.00 21.77 ? 190 VAL A CA 1 ATOM 1525 C C . VAL A 1 190 ? -25.999 -32.089 -11.252 1.00 21.27 ? 190 VAL A C 1 ATOM 1526 O O . VAL A 1 190 ? -24.936 -31.480 -11.195 1.00 21.73 ? 190 VAL A O 1 ATOM 1527 C CB . VAL A 1 190 ? -27.942 -30.780 -10.268 1.00 23.67 ? 190 VAL A CB 1 ATOM 1528 C CG1 . VAL A 1 190 ? -28.918 -30.802 -11.502 1.00 21.63 ? 190 VAL A CG1 1 ATOM 1529 C CG2 . VAL A 1 190 ? -28.722 -30.575 -8.940 1.00 29.63 ? 190 VAL A CG2 1 ATOM 1530 N N . ALA A 1 191 ? -26.280 -32.873 -12.279 1.00 19.98 ? 191 ALA A N 1 ATOM 1531 C CA . ALA A 1 191 ? -25.315 -33.032 -13.360 1.00 18.31 ? 191 ALA A CA 1 ATOM 1532 C C . ALA A 1 191 ? -25.996 -32.729 -14.692 1.00 16.44 ? 191 ALA A C 1 ATOM 1533 O O . ALA A 1 191 ? -27.218 -32.903 -14.813 1.00 19.06 ? 191 ALA A O 1 ATOM 1534 C CB . ALA A 1 191 ? -24.772 -34.455 -13.381 1.00 19.40 ? 191 ALA A CB 1 ATOM 1535 N N . TRP A 1 192 ? -25.223 -32.326 -15.697 1.00 15.36 ? 192 TRP A N 1 ATOM 1536 C CA . TRP A 1 192 ? -25.760 -32.257 -17.043 1.00 17.09 ? 192 TRP A CA 1 ATOM 1537 C C . TRP A 1 192 ? -24.664 -32.475 -18.070 1.00 17.61 ? 192 TRP A C 1 ATOM 1538 O O . TRP A 1 192 ? -23.470 -32.332 -17.739 1.00 17.96 ? 192 TRP A O 1 ATOM 1539 C CB . TRP A 1 192 ? -26.435 -30.866 -17.247 1.00 15.63 ? 192 TRP A CB 1 ATOM 1540 C CG . TRP A 1 192 ? -25.525 -29.598 -17.233 1.00 17.30 ? 192 TRP A CG 1 ATOM 1541 C CD1 . TRP A 1 192 ? -24.953 -28.917 -18.298 1.00 19.10 ? 192 TRP A CD1 1 ATOM 1542 C CD2 . TRP A 1 192 ? -25.151 -28.901 -16.065 1.00 15.57 ? 192 TRP A CD2 1 ATOM 1543 N NE1 . TRP A 1 192 ? -24.251 -27.792 -17.836 1.00 17.93 ? 192 TRP A NE1 1 ATOM 1544 C CE2 . TRP A 1 192 ? -24.380 -27.747 -16.468 1.00 15.41 ? 192 TRP A CE2 1 ATOM 1545 C CE3 . TRP A 1 192 ? -25.433 -29.103 -14.697 1.00 16.01 ? 192 TRP A CE3 1 ATOM 1546 C CZ2 . TRP A 1 192 ? -23.878 -26.865 -15.550 1.00 17.84 ? 192 TRP A CZ2 1 ATOM 1547 C CZ3 . TRP A 1 192 ? -24.931 -28.171 -13.772 1.00 18.60 ? 192 TRP A CZ3 1 ATOM 1548 C CH2 . TRP A 1 192 ? -24.167 -27.079 -14.221 1.00 18.52 ? 192 TRP A CH2 1 ATOM 1549 N N . LEU A 1 193 ? -25.062 -32.903 -19.286 1.00 16.23 ? 193 LEU A N 1 ATOM 1550 C CA . LEU A 1 193 ? -24.095 -33.231 -20.345 1.00 19.02 ? 193 LEU A CA 1 ATOM 1551 C C . LEU A 1 193 ? -24.077 -32.185 -21.436 1.00 19.06 ? 193 LEU A C 1 ATOM 1552 O O . LEU A 1 193 ? -25.089 -31.619 -21.761 1.00 20.25 ? 193 LEU A O 1 ATOM 1553 C CB . LEU A 1 193 ? -24.406 -34.574 -21.024 1.00 16.86 ? 193 LEU A CB 1 ATOM 1554 C CG . LEU A 1 193 ? -24.651 -35.696 -20.006 1.00 20.63 ? 193 LEU A CG 1 ATOM 1555 C CD1 . LEU A 1 193 ? -24.887 -37.057 -20.754 1.00 21.87 ? 193 LEU A CD1 1 ATOM 1556 C CD2 . LEU A 1 193 ? -23.529 -35.743 -19.006 1.00 22.16 ? 193 LEU A CD2 1 ATOM 1557 N N . SER A 1 194 ? -22.940 -32.010 -22.057 1.00 20.63 ? 194 SER A N 1 ATOM 1558 C CA . SER A 1 194 ? -22.903 -31.212 -23.286 1.00 20.43 ? 194 SER A CA 1 ATOM 1559 C C . SER A 1 194 ? -21.763 -31.692 -24.146 1.00 22.80 ? 194 SER A C 1 ATOM 1560 O O . SER A 1 194 ? -20.946 -32.520 -23.734 1.00 22.17 ? 194 SER A O 1 ATOM 1561 C CB . SER A 1 194 ? -22.668 -29.728 -22.908 1.00 21.79 ? 194 SER A CB 1 ATOM 1562 O OG . SER A 1 194 ? -21.363 -29.555 -22.360 1.00 20.90 ? 194 SER A OG 1 ATOM 1563 N N . SER A 1 195 ? -21.652 -31.131 -25.333 1.00 24.54 ? 195 SER A N 1 ATOM 1564 C CA . SER A 1 195 ? -20.419 -31.309 -26.086 1.00 27.32 ? 195 SER A CA 1 ATOM 1565 C C . SER A 1 195 ? -20.310 -30.107 -26.977 1.00 27.87 ? 195 SER A C 1 ATOM 1566 O O . SER A 1 195 ? -21.206 -29.906 -27.785 1.00 29.88 ? 195 SER A O 1 ATOM 1567 C CB . SER A 1 195 ? -20.519 -32.560 -26.949 1.00 27.05 ? 195 SER A CB 1 ATOM 1568 O OG . SER A 1 195 ? -21.630 -32.373 -27.790 1.00 29.47 ? 195 SER A OG 1 ATOM 1569 N N . HIS A 1 203 ? -15.427 -36.933 -34.108 1.00 39.94 ? 203 HIS A N 1 ATOM 1570 C CA . HIS A 1 203 ? -14.295 -36.697 -33.219 1.00 39.57 ? 203 HIS A CA 1 ATOM 1571 C C . HIS A 1 203 ? -14.545 -35.606 -32.182 1.00 38.55 ? 203 HIS A C 1 ATOM 1572 O O . HIS A 1 203 ? -14.470 -34.409 -32.491 1.00 39.11 ? 203 HIS A O 1 ATOM 1573 C CB . HIS A 1 203 ? -13.062 -36.353 -34.048 1.00 39.56 ? 203 HIS A CB 1 ATOM 1574 C CG . HIS A 1 203 ? -13.321 -35.385 -35.166 1.00 41.52 ? 203 HIS A CG 1 ATOM 1575 N ND1 . HIS A 1 203 ? -13.451 -35.786 -36.483 1.00 41.96 ? 203 HIS A ND1 1 ATOM 1576 C CD2 . HIS A 1 203 ? -13.426 -34.031 -35.174 1.00 42.66 ? 203 HIS A CD2 1 ATOM 1577 C CE1 . HIS A 1 203 ? -13.639 -34.723 -37.249 1.00 43.28 ? 203 HIS A CE1 1 ATOM 1578 N NE2 . HIS A 1 203 ? -13.627 -33.647 -36.481 1.00 43.65 ? 203 HIS A NE2 1 ATOM 1579 N N . ARG A 1 204 ? -14.828 -35.982 -30.934 1.00 37.10 ? 204 ARG A N 1 ATOM 1580 C CA . ARG A 1 204 ? -15.115 -34.930 -29.994 1.00 35.51 ? 204 ARG A CA 1 ATOM 1581 C C . ARG A 1 204 ? -15.149 -35.223 -28.492 1.00 33.86 ? 204 ARG A C 1 ATOM 1582 O O . ARG A 1 204 ? -14.902 -36.361 -28.049 1.00 33.47 ? 204 ARG A O 1 ATOM 1583 C CB . ARG A 1 204 ? -16.390 -34.205 -30.417 1.00 36.39 ? 204 ARG A CB 1 ATOM 1584 C CG . ARG A 1 204 ? -17.619 -35.071 -30.501 1.00 37.62 ? 204 ARG A CG 1 ATOM 1585 C CD . ARG A 1 204 ? -18.815 -34.178 -30.721 1.00 40.08 ? 204 ARG A CD 1 ATOM 1586 N NE . ARG A 1 204 ? -20.058 -34.925 -30.718 1.00 42.12 ? 204 ARG A NE 1 ATOM 1587 C CZ . ARG A 1 204 ? -21.231 -34.395 -30.400 1.00 43.68 ? 204 ARG A CZ 1 ATOM 1588 N NH1 . ARG A 1 204 ? -21.303 -33.116 -30.060 1.00 44.53 ? 204 ARG A NH1 1 ATOM 1589 N NH2 . ARG A 1 204 ? -22.327 -35.139 -30.407 1.00 44.08 ? 204 ARG A NH2 1 ATOM 1590 N N . GLN A 1 205 ? -15.479 -34.158 -27.750 1.00 31.77 ? 205 GLN A N 1 ATOM 1591 C CA . GLN A 1 205 ? -15.280 -34.057 -26.318 1.00 30.16 ? 205 GLN A CA 1 ATOM 1592 C C . GLN A 1 205 ? -16.640 -34.030 -25.629 1.00 27.65 ? 205 GLN A C 1 ATOM 1593 O O . GLN A 1 205 ? -17.391 -33.061 -25.757 1.00 28.58 ? 205 GLN A O 1 ATOM 1594 C CB . GLN A 1 205 ? -14.498 -32.767 -26.025 1.00 30.73 ? 205 GLN A CB 1 ATOM 1595 C CG . GLN A 1 205 ? -14.060 -32.559 -24.610 1.00 33.47 ? 205 GLN A CG 1 ATOM 1596 C CD . GLN A 1 205 ? -13.629 -31.114 -24.386 1.00 39.43 ? 205 GLN A CD 1 ATOM 1597 O OE1 . GLN A 1 205 ? -14.163 -30.196 -25.024 1.00 42.29 ? 205 GLN A OE1 1 ATOM 1598 N NE2 . GLN A 1 205 ? -12.659 -30.907 -23.504 1.00 37.51 ? 205 GLN A NE2 1 ATOM 1599 N N . LEU A 1 206 ? -16.990 -35.093 -24.913 1.00 25.63 ? 206 LEU A N 1 ATOM 1600 C CA . LEU A 1 206 ? -18.216 -35.037 -24.156 1.00 23.67 ? 206 LEU A CA 1 ATOM 1601 C C . LEU A 1 206 ? -17.893 -34.445 -22.769 1.00 22.21 ? 206 LEU A C 1 ATOM 1602 O O . LEU A 1 206 ? -16.875 -34.781 -22.175 1.00 20.40 ? 206 LEU A O 1 ATOM 1603 C CB . LEU A 1 206 ? -18.853 -36.418 -23.972 1.00 22.83 ? 206 LEU A CB 1 ATOM 1604 C CG . LEU A 1 206 ? -18.983 -37.303 -25.233 1.00 23.67 ? 206 LEU A CG 1 ATOM 1605 C CD1 . LEU A 1 206 ? -19.691 -38.632 -24.926 1.00 27.71 ? 206 LEU A CD1 1 ATOM 1606 C CD2 . LEU A 1 206 ? -19.715 -36.533 -26.293 1.00 25.41 ? 206 LEU A CD2 1 ATOM 1607 N N . VAL A 1 207 ? -18.766 -33.588 -22.253 1.00 22.32 ? 207 VAL A N 1 ATOM 1608 C CA . VAL A 1 207 ? -18.481 -32.942 -20.969 1.00 19.44 ? 207 VAL A CA 1 ATOM 1609 C C . VAL A 1 207 ? -19.591 -33.305 -19.982 1.00 19.25 ? 207 VAL A C 1 ATOM 1610 O O . VAL A 1 207 ? -20.784 -33.094 -20.267 1.00 19.16 ? 207 VAL A O 1 ATOM 1611 C CB . VAL A 1 207 ? -18.388 -31.377 -21.053 1.00 20.60 ? 207 VAL A CB 1 ATOM 1612 C CG1 . VAL A 1 207 ? -17.947 -30.850 -19.700 1.00 16.51 ? 207 VAL A CG1 1 ATOM 1613 C CG2 . VAL A 1 207 ? -17.451 -30.924 -22.173 1.00 19.00 ? 207 VAL A CG2 1 ATOM 1614 N N . CYS A 1 208 ? -19.224 -33.808 -18.807 1.00 17.24 ? 208 CYS A N 1 ATOM 1615 C CA . CYS A 1 208 ? -20.208 -34.006 -17.775 1.00 19.08 ? 208 CYS A CA 1 ATOM 1616 C C . CYS A 1 208 ? -19.982 -32.911 -16.708 1.00 18.39 ? 208 CYS A C 1 ATOM 1617 O O . CYS A 1 208 ? -18.879 -32.840 -16.119 1.00 19.25 ? 208 CYS A O 1 ATOM 1618 C CB . CYS A 1 208 ? -20.022 -35.384 -17.143 1.00 18.34 ? 208 CYS A CB 1 ATOM 1619 S SG . CYS A 1 208 ? -21.111 -35.715 -15.757 1.00 20.96 ? 208 CYS A SG 1 ATOM 1620 N N . HIS A 1 209 ? -20.989 -32.068 -16.472 1.00 16.53 ? 209 HIS A N 1 ATOM 1621 C CA . HIS A 1 209 ? -20.903 -30.922 -15.518 1.00 16.60 ? 209 HIS A CA 1 ATOM 1622 C C . HIS A 1 209 ? -21.615 -31.317 -14.257 1.00 16.14 ? 209 HIS A C 1 ATOM 1623 O O . HIS A 1 209 ? -22.715 -31.862 -14.327 1.00 17.36 ? 209 HIS A O 1 ATOM 1624 C CB . HIS A 1 209 ? -21.673 -29.730 -16.103 1.00 14.54 ? 209 HIS A CB 1 ATOM 1625 C CG . HIS A 1 209 ? -21.218 -29.332 -17.475 1.00 16.28 ? 209 HIS A CG 1 ATOM 1626 N ND1 . HIS A 1 209 ? -20.318 -28.304 -17.719 1.00 19.18 ? 209 HIS A ND1 1 ATOM 1627 C CD2 . HIS A 1 209 ? -21.555 -29.847 -18.684 1.00 17.14 ? 209 HIS A CD2 1 ATOM 1628 C CE1 . HIS A 1 209 ? -20.163 -28.167 -19.032 1.00 17.64 ? 209 HIS A CE1 1 ATOM 1629 N NE2 . HIS A 1 209 ? -20.886 -29.110 -19.635 1.00 17.84 ? 209 HIS A NE2 1 ATOM 1630 N N . VAL A 1 210 ? -20.970 -31.139 -13.113 1.00 15.29 ? 210 VAL A N 1 ATOM 1631 C CA . VAL A 1 210 ? -21.571 -31.522 -11.881 1.00 14.97 ? 210 VAL A CA 1 ATOM 1632 C C . VAL A 1 210 ? -21.503 -30.354 -10.886 1.00 16.38 ? 210 VAL A C 1 ATOM 1633 O O . VAL A 1 210 ? -20.412 -29.895 -10.602 1.00 17.21 ? 210 VAL A O 1 ATOM 1634 C CB . VAL A 1 210 ? -20.754 -32.697 -11.235 1.00 15.80 ? 210 VAL A CB 1 ATOM 1635 C CG1 . VAL A 1 210 ? -21.451 -33.255 -9.883 1.00 16.28 ? 210 VAL A CG1 1 ATOM 1636 C CG2 . VAL A 1 210 ? -20.593 -33.835 -12.288 1.00 17.08 ? 210 VAL A CG2 1 ATOM 1637 N N . SER A 1 211 ? -22.650 -29.909 -10.355 1.00 15.43 ? 211 SER A N 1 ATOM 1638 C CA . SER A 1 211 ? -22.602 -28.619 -9.624 1.00 16.49 ? 211 SER A CA 1 ATOM 1639 C C . SER A 1 211 ? -23.500 -28.729 -8.379 1.00 16.63 ? 211 SER A C 1 ATOM 1640 O O . SER A 1 211 ? -24.544 -29.376 -8.398 1.00 16.85 ? 211 SER A O 1 ATOM 1641 C CB . SER A 1 211 ? -23.150 -27.530 -10.555 1.00 16.19 ? 211 SER A CB 1 ATOM 1642 O OG . SER A 1 211 ? -23.007 -26.248 -9.894 1.00 15.36 ? 211 SER A OG 1 ATOM 1643 N N . GLY A 1 212 ? -23.091 -28.050 -7.318 1.00 14.13 ? 212 GLY A N 1 ATOM 1644 C CA . GLY A 1 212 ? -23.927 -27.950 -6.163 1.00 16.74 ? 212 GLY A CA 1 ATOM 1645 C C . GLY A 1 212 ? -23.599 -28.913 -5.061 1.00 15.72 ? 212 GLY A C 1 ATOM 1646 O O . GLY A 1 212 ? -24.334 -28.945 -4.049 1.00 16.29 ? 212 GLY A O 1 ATOM 1647 N N . PHE A 1 213 ? -22.490 -29.681 -5.188 1.00 16.48 ? 213 PHE A N 1 ATOM 1648 C CA . PHE A 1 213 ? -22.282 -30.674 -4.150 1.00 15.47 ? 213 PHE A CA 1 ATOM 1649 C C . PHE A 1 213 ? -21.439 -30.106 -2.998 1.00 14.86 ? 213 PHE A C 1 ATOM 1650 O O . PHE A 1 213 ? -20.560 -29.281 -3.212 1.00 16.70 ? 213 PHE A O 1 ATOM 1651 C CB . PHE A 1 213 ? -21.556 -31.945 -4.713 1.00 15.15 ? 213 PHE A CB 1 ATOM 1652 C CG . PHE A 1 213 ? -20.258 -31.659 -5.488 1.00 13.83 ? 213 PHE A CG 1 ATOM 1653 C CD1 . PHE A 1 213 ? -20.269 -31.342 -6.828 1.00 15.82 ? 213 PHE A CD1 1 ATOM 1654 C CD2 . PHE A 1 213 ? -19.010 -31.902 -4.864 1.00 16.56 ? 213 PHE A CD2 1 ATOM 1655 C CE1 . PHE A 1 213 ? -19.035 -31.104 -7.522 1.00 19.13 ? 213 PHE A CE1 1 ATOM 1656 C CE2 . PHE A 1 213 ? -17.824 -31.711 -5.517 1.00 15.99 ? 213 PHE A CE2 1 ATOM 1657 C CZ . PHE A 1 213 ? -17.821 -31.328 -6.880 1.00 18.08 ? 213 PHE A CZ 1 ATOM 1658 N N . TYR A 1 214 ? -21.651 -30.681 -1.824 1.00 14.77 ? 214 TYR A N 1 ATOM 1659 C CA . TYR A 1 214 ? -20.854 -30.398 -0.616 1.00 15.10 ? 214 TYR A CA 1 ATOM 1660 C C . TYR A 1 214 ? -21.004 -31.579 0.327 1.00 15.01 ? 214 TYR A C 1 ATOM 1661 O O . TYR A 1 214 ? -22.120 -32.070 0.513 1.00 14.49 ? 214 TYR A O 1 ATOM 1662 C CB . TYR A 1 214 ? -21.355 -29.082 0.052 1.00 16.69 ? 214 TYR A CB 1 ATOM 1663 C CG . TYR A 1 214 ? -20.326 -28.628 1.070 1.00 14.71 ? 214 TYR A CG 1 ATOM 1664 C CD1 . TYR A 1 214 ? -20.317 -29.182 2.353 1.00 15.27 ? 214 TYR A CD1 1 ATOM 1665 C CD2 . TYR A 1 214 ? -19.349 -27.737 0.723 1.00 15.60 ? 214 TYR A CD2 1 ATOM 1666 C CE1 . TYR A 1 214 ? -19.349 -28.806 3.307 1.00 17.60 ? 214 TYR A CE1 1 ATOM 1667 C CE2 . TYR A 1 214 ? -18.358 -27.366 1.623 1.00 15.05 ? 214 TYR A CE2 1 ATOM 1668 C CZ . TYR A 1 214 ? -18.405 -27.882 2.920 1.00 16.97 ? 214 TYR A CZ 1 ATOM 1669 O OH . TYR A 1 214 ? -17.423 -27.548 3.822 1.00 15.27 ? 214 TYR A OH 1 ATOM 1670 N N . PRO A 1 215 ? -19.892 -32.054 0.924 1.00 14.70 ? 215 PRO A N 1 ATOM 1671 C CA . PRO A 1 215 ? -18.530 -31.532 0.870 1.00 13.12 ? 215 PRO A CA 1 ATOM 1672 C C . PRO A 1 215 ? -17.785 -31.923 -0.422 1.00 15.59 ? 215 PRO A C 1 ATOM 1673 O O . PRO A 1 215 ? -18.356 -32.519 -1.342 1.00 16.23 ? 215 PRO A O 1 ATOM 1674 C CB . PRO A 1 215 ? -17.868 -32.135 2.135 1.00 13.02 ? 215 PRO A CB 1 ATOM 1675 C CG . PRO A 1 215 ? -18.668 -33.437 2.383 1.00 14.76 ? 215 PRO A CG 1 ATOM 1676 C CD . PRO A 1 215 ? -20.063 -33.164 1.884 1.00 13.55 ? 215 PRO A CD 1 ATOM 1677 N N . LYS A 1 216 ? -16.524 -31.532 -0.467 1.00 15.82 ? 216 LYS A N 1 ATOM 1678 C CA . LYS A 1 216 ? -15.793 -31.505 -1.721 1.00 16.56 ? 216 LYS A CA 1 ATOM 1679 C C . LYS A 1 216 ? -15.486 -32.897 -2.319 1.00 16.26 ? 216 LYS A C 1 ATOM 1680 O O . LYS A 1 216 ? -15.569 -33.046 -3.553 1.00 18.26 ? 216 LYS A O 1 ATOM 1681 C CB . LYS A 1 216 ? -14.497 -30.670 -1.534 1.00 16.52 ? 216 LYS A CB 1 ATOM 1682 C CG . LYS A 1 216 ? -13.865 -30.291 -2.857 1.00 16.87 ? 216 LYS A CG 1 ATOM 1683 C CD . LYS A 1 216 ? -12.622 -29.398 -2.580 1.00 15.55 ? 216 LYS A CD 1 ATOM 1684 C CE . LYS A 1 216 ? -12.086 -28.808 -3.886 1.00 17.05 ? 216 LYS A CE 1 ATOM 1685 N NZ . LYS A 1 216 ? -10.869 -28.003 -3.503 1.00 20.18 ? 216 LYS A NZ 1 ATOM 1686 N N . PRO A 1 217 ? -15.277 -33.908 -1.485 1.00 18.08 ? 217 PRO A N 1 ATOM 1687 C CA . PRO A 1 217 ? -14.944 -35.196 -2.157 1.00 17.79 ? 217 PRO A CA 1 ATOM 1688 C C . PRO A 1 217 ? -16.084 -35.726 -3.043 1.00 18.62 ? 217 PRO A C 1 ATOM 1689 O O . PRO A 1 217 ? -17.210 -35.808 -2.596 1.00 17.97 ? 217 PRO A O 1 ATOM 1690 C CB . PRO A 1 217 ? -14.744 -36.169 -0.986 1.00 18.70 ? 217 PRO A CB 1 ATOM 1691 C CG . PRO A 1 217 ? -14.279 -35.299 0.199 1.00 19.35 ? 217 PRO A CG 1 ATOM 1692 C CD . PRO A 1 217 ? -15.113 -33.960 -0.001 1.00 16.13 ? 217 PRO A CD 1 ATOM 1693 N N . VAL A 1 218 ? -15.763 -36.193 -4.247 1.00 16.36 ? 218 VAL A N 1 ATOM 1694 C CA . VAL A 1 218 ? -16.794 -36.615 -5.224 1.00 16.36 ? 218 VAL A CA 1 ATOM 1695 C C . VAL A 1 218 ? -16.077 -37.510 -6.233 1.00 15.65 ? 218 VAL A C 1 ATOM 1696 O O . VAL A 1 218 ? -14.814 -37.465 -6.341 1.00 16.73 ? 218 VAL A O 1 ATOM 1697 C CB . VAL A 1 218 ? -17.369 -35.405 -5.973 1.00 16.40 ? 218 VAL A CB 1 ATOM 1698 C CG1 . VAL A 1 218 ? -16.313 -34.793 -6.991 1.00 16.42 ? 218 VAL A CG1 1 ATOM 1699 C CG2 . VAL A 1 218 ? -18.722 -35.784 -6.708 1.00 16.80 ? 218 VAL A CG2 1 ATOM 1700 N N . TRP A 1 219 ? -16.861 -38.333 -6.911 1.00 15.17 ? 219 TRP A N 1 ATOM 1701 C CA . TRP A 1 219 ? -16.322 -39.191 -7.977 1.00 15.08 ? 219 TRP A CA 1 ATOM 1702 C C . TRP A 1 219 ? -17.206 -39.026 -9.193 1.00 17.29 ? 219 TRP A C 1 ATOM 1703 O O . TRP A 1 219 ? -18.427 -39.096 -9.112 1.00 15.50 ? 219 TRP A O 1 ATOM 1704 C CB . TRP A 1 219 ? -16.309 -40.603 -7.474 1.00 16.58 ? 219 TRP A CB 1 ATOM 1705 C CG . TRP A 1 219 ? -15.723 -41.642 -8.419 1.00 14.12 ? 219 TRP A CG 1 ATOM 1706 C CD1 . TRP A 1 219 ? -14.395 -42.077 -8.483 1.00 16.24 ? 219 TRP A CD1 1 ATOM 1707 C CD2 . TRP A 1 219 ? -16.456 -42.443 -9.339 1.00 17.98 ? 219 TRP A CD2 1 ATOM 1708 N NE1 . TRP A 1 219 ? -14.306 -43.116 -9.385 1.00 17.27 ? 219 TRP A NE1 1 ATOM 1709 C CE2 . TRP A 1 219 ? -15.547 -43.376 -9.905 1.00 14.91 ? 219 TRP A CE2 1 ATOM 1710 C CE3 . TRP A 1 219 ? -17.797 -42.518 -9.696 1.00 16.85 ? 219 TRP A CE3 1 ATOM 1711 C CZ2 . TRP A 1 219 ? -15.926 -44.287 -10.870 1.00 18.33 ? 219 TRP A CZ2 1 ATOM 1712 C CZ3 . TRP A 1 219 ? -18.194 -43.457 -10.673 1.00 19.30 ? 219 TRP A CZ3 1 ATOM 1713 C CH2 . TRP A 1 219 ? -17.241 -44.365 -11.209 1.00 16.90 ? 219 TRP A CH2 1 ATOM 1714 N N . VAL A 1 220 ? -16.599 -38.705 -10.343 1.00 16.21 ? 220 VAL A N 1 ATOM 1715 C CA . VAL A 1 220 ? -17.397 -38.397 -11.557 1.00 16.12 ? 220 VAL A CA 1 ATOM 1716 C C . VAL A 1 220 ? -16.655 -39.146 -12.637 1.00 14.52 ? 220 VAL A C 1 ATOM 1717 O O . VAL A 1 220 ? -15.479 -38.957 -12.831 1.00 16.96 ? 220 VAL A O 1 ATOM 1718 C CB . VAL A 1 220 ? -17.367 -36.876 -11.919 1.00 16.09 ? 220 VAL A CB 1 ATOM 1719 C CG1 . VAL A 1 220 ? -18.250 -36.601 -13.242 1.00 16.70 ? 220 VAL A CG1 1 ATOM 1720 C CG2 . VAL A 1 220 ? -17.880 -36.047 -10.730 1.00 20.33 ? 220 VAL A CG2 1 ATOM 1721 N N . MET A 1 221 ? -17.335 -40.004 -13.368 1.00 14.82 ? 221 MET A N 1 ATOM 1722 C CA . MET A 1 221 ? -16.631 -40.796 -14.364 1.00 16.40 ? 221 MET A CA 1 ATOM 1723 C C . MET A 1 221 ? -17.551 -41.095 -15.545 1.00 16.72 ? 221 MET A C 1 ATOM 1724 O O . MET A 1 221 ? -18.738 -41.447 -15.340 1.00 16.33 ? 221 MET A O 1 ATOM 1725 C CB . MET A 1 221 ? -16.293 -42.168 -13.716 1.00 16.59 ? 221 MET A CB 1 ATOM 1726 C CG . MET A 1 221 ? -15.373 -43.129 -14.512 1.00 18.34 ? 221 MET A CG 1 ATOM 1727 S SD . MET A 1 221 ? -13.789 -42.370 -14.791 1.00 26.18 ? 221 MET A SD 1 ATOM 1728 C CE . MET A 1 221 ? -13.201 -41.984 -13.157 1.00 21.69 ? 221 MET A CE 1 ATOM 1729 N N . TRP A 1 222 ? -16.995 -41.047 -16.769 1.00 15.21 ? 222 TRP A N 1 ATOM 1730 C CA . TRP A 1 222 ? -17.691 -41.621 -17.928 1.00 15.45 ? 222 TRP A CA 1 ATOM 1731 C C . TRP A 1 222 ? -17.612 -43.149 -17.909 1.00 16.76 ? 222 TRP A C 1 ATOM 1732 O O . TRP A 1 222 ? -16.568 -43.742 -17.592 1.00 16.44 ? 222 TRP A O 1 ATOM 1733 C CB . TRP A 1 222 ? -17.113 -41.051 -19.240 1.00 14.60 ? 222 TRP A CB 1 ATOM 1734 C CG . TRP A 1 222 ? -17.516 -39.613 -19.424 1.00 15.81 ? 222 TRP A CG 1 ATOM 1735 C CD1 . TRP A 1 222 ? -16.821 -38.480 -19.069 1.00 15.96 ? 222 TRP A CD1 1 ATOM 1736 C CD2 . TRP A 1 222 ? -18.715 -39.191 -20.028 1.00 15.68 ? 222 TRP A CD2 1 ATOM 1737 N NE1 . TRP A 1 222 ? -17.552 -37.335 -19.457 1.00 14.98 ? 222 TRP A NE1 1 ATOM 1738 C CE2 . TRP A 1 222 ? -18.720 -37.761 -20.031 1.00 17.11 ? 222 TRP A CE2 1 ATOM 1739 C CE3 . TRP A 1 222 ? -19.798 -39.872 -20.581 1.00 17.13 ? 222 TRP A CE3 1 ATOM 1740 C CZ2 . TRP A 1 222 ? -19.781 -37.027 -20.546 1.00 19.98 ? 222 TRP A CZ2 1 ATOM 1741 C CZ3 . TRP A 1 222 ? -20.879 -39.118 -21.109 1.00 18.33 ? 222 TRP A CZ3 1 ATOM 1742 C CH2 . TRP A 1 222 ? -20.836 -37.720 -21.097 1.00 19.24 ? 222 TRP A CH2 1 ATOM 1743 N N . MET A 1 223 ? -18.730 -43.784 -18.241 1.00 16.36 ? 223 MET A N 1 ATOM 1744 C CA . MET A 1 223 ? -18.909 -45.201 -18.099 1.00 16.28 ? 223 MET A CA 1 ATOM 1745 C C . MET A 1 223 ? -19.441 -45.701 -19.390 1.00 16.71 ? 223 MET A C 1 ATOM 1746 O O . MET A 1 223 ? -20.253 -45.020 -20.002 1.00 15.44 ? 223 MET A O 1 ATOM 1747 C CB . MET A 1 223 ? -20.007 -45.463 -17.066 1.00 15.81 ? 223 MET A CB 1 ATOM 1748 C CG . MET A 1 223 ? -19.689 -44.919 -15.695 1.00 16.88 ? 223 MET A CG 1 ATOM 1749 S SD . MET A 1 223 ? -18.212 -45.619 -14.949 1.00 21.36 ? 223 MET A SD 1 ATOM 1750 C CE . MET A 1 223 ? -18.748 -47.349 -14.606 1.00 19.86 ? 223 MET A CE 1 ATOM 1751 N N . ARG A 1 224 ? -19.030 -46.905 -19.791 1.00 14.57 ? 224 ARG A N 1 ATOM 1752 C CA . ARG A 1 224 ? -19.804 -47.663 -20.726 1.00 17.21 ? 224 ARG A CA 1 ATOM 1753 C C . ARG A 1 224 ? -20.249 -48.902 -19.946 1.00 17.26 ? 224 ARG A C 1 ATOM 1754 O O . ARG A 1 224 ? -19.441 -49.804 -19.690 1.00 16.66 ? 224 ARG A O 1 ATOM 1755 C CB . ARG A 1 224 ? -18.981 -48.109 -21.951 1.00 17.22 ? 224 ARG A CB 1 ATOM 1756 C CG . ARG A 1 224 ? -19.895 -48.721 -23.017 1.00 20.31 ? 224 ARG A CG 1 ATOM 1757 C CD . ARG A 1 224 ? -19.169 -49.083 -24.368 1.00 23.14 ? 224 ARG A CD 1 ATOM 1758 N NE . ARG A 1 224 ? -18.555 -47.895 -25.002 1.00 28.32 ? 224 ARG A NE 1 ATOM 1759 C CZ . ARG A 1 224 ? -19.233 -46.998 -25.721 1.00 30.65 ? 224 ARG A CZ 1 ATOM 1760 N NH1 . ARG A 1 224 ? -20.541 -47.178 -25.910 1.00 32.24 ? 224 ARG A NH1 1 ATOM 1761 N NH2 . ARG A 1 224 ? -18.621 -45.940 -26.261 1.00 27.27 ? 224 ARG A NH2 1 ATOM 1762 N N . GLY A 1 225 ? -21.523 -48.901 -19.546 1.00 17.26 ? 225 GLY A N 1 ATOM 1763 C CA . GLY A 1 225 ? -22.073 -49.915 -18.661 1.00 18.65 ? 225 GLY A CA 1 ATOM 1764 C C . GLY A 1 225 ? -21.259 -49.868 -17.377 1.00 18.38 ? 225 GLY A C 1 ATOM 1765 O O . GLY A 1 225 ? -21.119 -48.792 -16.770 1.00 17.43 ? 225 GLY A O 1 ATOM 1766 N N . ASP A 1 226 ? -20.731 -51.053 -17.002 1.00 18.38 ? 226 ASP A N 1 ATOM 1767 C CA . ASP A 1 226 ? -19.875 -51.268 -15.818 1.00 19.74 ? 226 ASP A CA 1 ATOM 1768 C C . ASP A 1 226 ? -18.434 -50.777 -15.933 1.00 19.78 ? 226 ASP A C 1 ATOM 1769 O O . ASP A 1 226 ? -17.692 -50.729 -14.951 1.00 20.46 ? 226 ASP A O 1 ATOM 1770 C CB . ASP A 1 226 ? -19.733 -52.758 -15.600 1.00 21.19 ? 226 ASP A CB 1 ATOM 1771 C CG . ASP A 1 226 ? -20.975 -53.376 -15.066 1.00 21.71 ? 226 ASP A CG 1 ATOM 1772 O OD1 . ASP A 1 226 ? -21.730 -52.614 -14.440 1.00 24.35 ? 226 ASP A OD1 1 ATOM 1773 O OD2 . ASP A 1 226 ? -21.136 -54.598 -15.205 1.00 26.25 ? 226 ASP A OD2 1 ATOM 1774 N N A GLN A 1 227 ? -17.978 -50.522 -17.152 0.50 19.46 ? 227 GLN A N 1 ATOM 1775 N N B GLN A 1 227 ? -18.059 -50.410 -17.139 0.50 19.06 ? 227 GLN A N 1 ATOM 1776 C CA A GLN A 1 227 ? -16.566 -50.205 -17.362 0.50 19.16 ? 227 GLN A CA 1 ATOM 1777 C CA B GLN A 1 227 ? -16.691 -50.101 -17.438 0.50 18.75 ? 227 GLN A CA 1 ATOM 1778 C C A GLN A 1 227 ? -16.337 -48.695 -17.340 0.50 19.15 ? 227 GLN A C 1 ATOM 1779 C C B GLN A 1 227 ? -16.429 -48.623 -17.291 0.50 18.70 ? 227 GLN A C 1 ATOM 1780 O O A GLN A 1 227 ? -16.879 -47.963 -18.171 0.50 17.92 ? 227 GLN A O 1 ATOM 1781 O O B GLN A 1 227 ? -17.001 -47.840 -18.038 0.50 18.16 ? 227 GLN A O 1 ATOM 1782 C CB A GLN A 1 227 ? -16.035 -50.824 -18.669 0.50 19.80 ? 227 GLN A CB 1 ATOM 1783 C CB B GLN A 1 227 ? -16.432 -50.439 -18.885 0.50 18.16 ? 227 GLN A CB 1 ATOM 1784 C CG A GLN A 1 227 ? -14.581 -50.432 -19.063 0.50 17.89 ? 227 GLN A CG 1 ATOM 1785 C CG B GLN A 1 227 ? -15.080 -49.987 -19.347 0.50 17.35 ? 227 GLN A CG 1 ATOM 1786 C CD A GLN A 1 227 ? -13.502 -51.012 -18.163 0.50 16.92 ? 227 GLN A CD 1 ATOM 1787 C CD B GLN A 1 227 ? -14.678 -50.705 -20.587 0.50 12.88 ? 227 GLN A CD 1 ATOM 1788 O OE1 A GLN A 1 227 ? -13.169 -52.206 -18.244 0.50 15.42 ? 227 GLN A OE1 1 ATOM 1789 O OE1 B GLN A 1 227 ? -14.745 -50.153 -21.693 0.50 10.43 ? 227 GLN A OE1 1 ATOM 1790 N NE2 A GLN A 1 227 ? -12.905 -50.159 -17.346 0.50 18.89 ? 227 GLN A NE2 1 ATOM 1791 N NE2 B GLN A 1 227 ? -14.303 -51.979 -20.430 0.50 13.14 ? 227 GLN A NE2 1 ATOM 1792 N N . GLU A 1 228 ? -15.530 -48.264 -16.372 1.00 19.42 ? 228 GLU A N 1 ATOM 1793 C CA . GLU A 1 228 ? -14.980 -46.924 -16.310 1.00 19.89 ? 228 GLU A CA 1 ATOM 1794 C C . GLU A 1 228 ? -14.188 -46.669 -17.583 1.00 19.80 ? 228 GLU A C 1 ATOM 1795 O O . GLU A 1 228 ? -13.324 -47.487 -17.974 1.00 18.03 ? 228 GLU A O 1 ATOM 1796 C CB . GLU A 1 228 ? -14.006 -46.806 -15.154 1.00 20.77 ? 228 GLU A CB 1 ATOM 1797 C CG . GLU A 1 228 ? -14.569 -46.997 -13.764 1.00 25.08 ? 228 GLU A CG 1 ATOM 1798 C CD . GLU A 1 228 ? -13.590 -46.505 -12.653 1.00 29.50 ? 228 GLU A CD 1 ATOM 1799 O OE1 . GLU A 1 228 ? -12.869 -45.496 -12.848 1.00 31.46 ? 228 GLU A OE1 1 ATOM 1800 O OE2 . GLU A 1 228 ? -13.527 -47.137 -11.573 1.00 34.20 ? 228 GLU A OE2 1 ATOM 1801 N N . GLN A 1 229 ? -14.441 -45.528 -18.205 1.00 19.96 ? 229 GLN A N 1 ATOM 1802 C CA . GLN A 1 229 ? -13.640 -45.055 -19.342 1.00 19.80 ? 229 GLN A CA 1 ATOM 1803 C C . GLN A 1 229 ? -12.398 -44.329 -18.863 1.00 20.98 ? 229 GLN A C 1 ATOM 1804 O O . GLN A 1 229 ? -12.435 -43.196 -18.286 1.00 19.83 ? 229 GLN A O 1 ATOM 1805 C CB . GLN A 1 229 ? -14.463 -44.171 -20.281 1.00 19.78 ? 229 GLN A CB 1 ATOM 1806 C CG . GLN A 1 229 ? -15.769 -44.814 -20.674 1.00 19.25 ? 229 GLN A CG 1 ATOM 1807 C CD . GLN A 1 229 ? -15.518 -46.150 -21.455 1.00 17.71 ? 229 GLN A CD 1 ATOM 1808 O OE1 . GLN A 1 229 ? -14.819 -46.158 -22.469 1.00 18.91 ? 229 GLN A OE1 1 ATOM 1809 N NE2 . GLN A 1 229 ? -16.088 -47.243 -20.976 1.00 17.07 ? 229 GLN A NE2 1 ATOM 1810 N N . GLN A 1 230 ? -11.290 -45.011 -19.088 1.00 21.99 ? 230 GLN A N 1 ATOM 1811 C CA . GLN A 1 230 ? -9.988 -44.533 -18.677 1.00 23.59 ? 230 GLN A CA 1 ATOM 1812 C C . GLN A 1 230 ? -9.632 -43.137 -19.099 1.00 22.04 ? 230 GLN A C 1 ATOM 1813 O O . GLN A 1 230 ? -8.872 -42.502 -18.427 1.00 23.30 ? 230 GLN A O 1 ATOM 1814 C CB . GLN A 1 230 ? -8.896 -45.437 -19.267 1.00 22.94 ? 230 GLN A CB 1 ATOM 1815 C CG . GLN A 1 230 ? -8.870 -46.859 -18.719 1.00 28.19 ? 230 GLN A CG 1 ATOM 1816 C CD . GLN A 1 230 ? -8.479 -46.840 -17.260 1.00 32.19 ? 230 GLN A CD 1 ATOM 1817 O OE1 . GLN A 1 230 ? -8.791 -45.892 -16.555 1.00 31.51 ? 230 GLN A OE1 1 ATOM 1818 N NE2 . GLN A 1 230 ? -7.756 -47.864 -16.814 1.00 31.75 ? 230 GLN A NE2 1 ATOM 1819 N N . GLY A 1 231 ? -10.069 -42.717 -20.278 1.00 22.38 ? 231 GLY A N 1 ATOM 1820 C CA . GLY A 1 231 ? -9.645 -41.450 -20.834 1.00 21.59 ? 231 GLY A CA 1 ATOM 1821 C C . GLY A 1 231 ? -10.381 -40.275 -20.196 1.00 21.50 ? 231 GLY A C 1 ATOM 1822 O O . GLY A 1 231 ? -10.154 -39.115 -20.590 1.00 22.46 ? 231 GLY A O 1 ATOM 1823 N N . THR A 1 232 ? -11.223 -40.548 -19.192 1.00 21.84 ? 232 THR A N 1 ATOM 1824 C CA . THR A 1 232 ? -11.912 -39.461 -18.459 1.00 19.93 ? 232 THR A CA 1 ATOM 1825 C C . THR A 1 232 ? -10.924 -38.506 -17.770 1.00 20.83 ? 232 THR A C 1 ATOM 1826 O O . THR A 1 232 ? -10.068 -38.946 -16.980 1.00 20.33 ? 232 THR A O 1 ATOM 1827 C CB . THR A 1 232 ? -12.835 -40.007 -17.345 1.00 19.67 ? 232 THR A CB 1 ATOM 1828 O OG1 . THR A 1 232 ? -13.890 -40.809 -17.906 1.00 17.41 ? 232 THR A OG1 1 ATOM 1829 C CG2 . THR A 1 232 ? -13.467 -38.860 -16.589 1.00 18.36 ? 232 THR A CG2 1 ATOM 1830 N N A HIS A 1 233 ? -11.067 -37.212 -18.052 0.50 21.05 ? 233 HIS A N 1 ATOM 1831 N N B HIS A 1 233 ? -11.041 -37.208 -18.044 0.50 20.90 ? 233 HIS A N 1 ATOM 1832 C CA A HIS A 1 233 ? -10.220 -36.197 -17.466 0.50 21.43 ? 233 HIS A CA 1 ATOM 1833 C CA B HIS A 1 233 ? -10.165 -36.228 -17.425 0.50 21.18 ? 233 HIS A CA 1 ATOM 1834 C C A HIS A 1 233 ? -11.037 -35.319 -16.543 0.50 21.53 ? 233 HIS A C 1 ATOM 1835 C C B HIS A 1 233 ? -10.961 -35.269 -16.567 0.50 21.33 ? 233 HIS A C 1 ATOM 1836 O O A HIS A 1 233 ? -12.021 -34.727 -16.970 0.50 21.04 ? 233 HIS A O 1 ATOM 1837 O O B HIS A 1 233 ? -11.858 -34.589 -17.055 0.50 20.75 ? 233 HIS A O 1 ATOM 1838 C CB A HIS A 1 233 ? -9.579 -35.316 -18.545 0.50 21.46 ? 233 HIS A CB 1 ATOM 1839 C CB B HIS A 1 233 ? -9.345 -35.453 -18.467 0.50 20.98 ? 233 HIS A CB 1 ATOM 1840 C CG A HIS A 1 233 ? -8.568 -34.359 -18.001 0.50 23.29 ? 233 HIS A CG 1 ATOM 1841 C CG B HIS A 1 233 ? -8.262 -36.270 -19.106 0.50 22.54 ? 233 HIS A CG 1 ATOM 1842 N ND1 A HIS A 1 233 ? -8.877 -33.059 -17.664 0.50 26.12 ? 233 HIS A ND1 1 ATOM 1843 N ND1 B HIS A 1 233 ? -8.284 -36.630 -20.437 0.50 23.62 ? 233 HIS A ND1 1 ATOM 1844 C CD2 A HIS A 1 233 ? -7.265 -34.529 -17.680 0.50 25.71 ? 233 HIS A CD2 1 ATOM 1845 C CD2 B HIS A 1 233 ? -7.135 -36.817 -18.589 0.50 21.54 ? 233 HIS A CD2 1 ATOM 1846 C CE1 A HIS A 1 233 ? -7.799 -32.460 -17.192 0.50 25.02 ? 233 HIS A CE1 1 ATOM 1847 C CE1 B HIS A 1 233 ? -7.220 -37.357 -20.713 0.50 21.85 ? 233 HIS A CE1 1 ATOM 1848 N NE2 A HIS A 1 233 ? -6.809 -33.332 -17.185 0.50 26.00 ? 233 HIS A NE2 1 ATOM 1849 N NE2 B HIS A 1 233 ? -6.506 -37.485 -19.610 0.50 22.03 ? 233 HIS A NE2 1 ATOM 1850 N N . ARG A 1 234 ? -10.622 -35.254 -15.283 1.00 22.23 ? 234 ARG A N 1 ATOM 1851 C CA . ARG A 1 234 ? -11.272 -34.420 -14.294 1.00 22.04 ? 234 ARG A CA 1 ATOM 1852 C C . ARG A 1 234 ? -10.789 -32.998 -14.443 1.00 21.41 ? 234 ARG A C 1 ATOM 1853 O O . ARG A 1 234 ? -9.572 -32.775 -14.564 1.00 21.49 ? 234 ARG A O 1 ATOM 1854 C CB . ARG A 1 234 ? -10.916 -34.945 -12.890 1.00 24.03 ? 234 ARG A CB 1 ATOM 1855 C CG . ARG A 1 234 ? -11.699 -34.354 -11.771 1.00 28.11 ? 234 ARG A CG 1 ATOM 1856 C CD . ARG A 1 234 ? -11.589 -35.176 -10.499 1.00 34.34 ? 234 ARG A CD 1 ATOM 1857 N NE . ARG A 1 234 ? -10.457 -34.838 -9.636 1.00 41.53 ? 234 ARG A NE 1 ATOM 1858 C CZ . ARG A 1 234 ? -9.714 -33.719 -9.688 1.00 43.82 ? 234 ARG A CZ 1 ATOM 1859 N NH1 . ARG A 1 234 ? -9.944 -32.754 -10.584 1.00 43.36 ? 234 ARG A NH1 1 ATOM 1860 N NH2 . ARG A 1 234 ? -8.721 -33.564 -8.820 1.00 42.88 ? 234 ARG A NH2 1 ATOM 1861 N N . GLY A 1 235 ? -11.725 -32.038 -14.417 1.00 20.72 ? 235 GLY A N 1 ATOM 1862 C CA . GLY A 1 235 ? -11.342 -30.618 -14.438 1.00 20.02 ? 235 GLY A CA 1 ATOM 1863 C C . GLY A 1 235 ? -10.902 -30.103 -13.065 1.00 20.19 ? 235 GLY A C 1 ATOM 1864 O O . GLY A 1 235 ? -10.678 -30.901 -12.144 1.00 19.92 ? 235 GLY A O 1 ATOM 1865 N N . ASP A 1 236 ? -10.737 -28.775 -12.945 1.00 19.32 ? 236 ASP A N 1 ATOM 1866 C CA . ASP A 1 236 ? -10.462 -28.147 -11.609 1.00 18.54 ? 236 ASP A CA 1 ATOM 1867 C C . ASP A 1 236 ? -11.741 -28.056 -10.839 1.00 17.14 ? 236 ASP A C 1 ATOM 1868 O O . ASP A 1 236 ? -12.825 -27.833 -11.421 1.00 16.64 ? 236 ASP A O 1 ATOM 1869 C CB . ASP A 1 236 ? -9.912 -26.737 -11.774 1.00 19.09 ? 236 ASP A CB 1 ATOM 1870 C CG . ASP A 1 236 ? -8.457 -26.703 -12.321 1.00 22.43 ? 236 ASP A CG 1 ATOM 1871 O OD1 . ASP A 1 236 ? -7.770 -27.725 -12.334 1.00 25.75 ? 236 ASP A OD1 1 ATOM 1872 O OD2 . ASP A 1 236 ? -7.979 -25.613 -12.691 1.00 25.91 ? 236 ASP A OD2 1 ATOM 1873 N N . PHE A 1 237 ? -11.658 -28.149 -9.514 1.00 16.10 ? 237 PHE A N 1 ATOM 1874 C CA . PHE A 1 237 ? -12.818 -27.811 -8.691 1.00 16.49 ? 237 PHE A CA 1 ATOM 1875 C C . PHE A 1 237 ? -13.022 -26.287 -8.616 1.00 15.81 ? 237 PHE A C 1 ATOM 1876 O O . PHE A 1 237 ? -12.092 -25.536 -8.219 1.00 16.99 ? 237 PHE A O 1 ATOM 1877 C CB . PHE A 1 237 ? -12.625 -28.314 -7.259 1.00 16.51 ? 237 PHE A CB 1 ATOM 1878 C CG . PHE A 1 237 ? -12.747 -29.790 -7.121 1.00 16.10 ? 237 PHE A CG 1 ATOM 1879 C CD1 . PHE A 1 237 ? -13.915 -30.364 -6.621 1.00 19.29 ? 237 PHE A CD1 1 ATOM 1880 C CD2 . PHE A 1 237 ? -11.682 -30.626 -7.536 1.00 20.79 ? 237 PHE A CD2 1 ATOM 1881 C CE1 . PHE A 1 237 ? -14.051 -31.770 -6.423 1.00 18.48 ? 237 PHE A CE1 1 ATOM 1882 C CE2 . PHE A 1 237 ? -11.800 -32.003 -7.395 1.00 17.05 ? 237 PHE A CE2 1 ATOM 1883 C CZ . PHE A 1 237 ? -12.955 -32.603 -6.853 1.00 16.19 ? 237 PHE A CZ 1 ATOM 1884 N N . LEU A 1 238 ? -14.221 -25.838 -8.964 1.00 13.04 ? 238 LEU A N 1 ATOM 1885 C CA . LEU A 1 238 ? -14.505 -24.372 -9.026 1.00 13.06 ? 238 LEU A CA 1 ATOM 1886 C C . LEU A 1 238 ? -15.613 -24.151 -7.986 1.00 12.67 ? 238 LEU A C 1 ATOM 1887 O O . LEU A 1 238 ? -16.563 -24.950 -7.849 1.00 14.53 ? 238 LEU A O 1 ATOM 1888 C CB . LEU A 1 238 ? -15.098 -23.985 -10.440 1.00 12.48 ? 238 LEU A CB 1 ATOM 1889 C CG . LEU A 1 238 ? -14.230 -24.466 -11.631 1.00 13.36 ? 238 LEU A CG 1 ATOM 1890 C CD1 . LEU A 1 238 ? -14.867 -24.009 -12.948 1.00 17.12 ? 238 LEU A CD1 1 ATOM 1891 C CD2 . LEU A 1 238 ? -12.766 -24.013 -11.427 1.00 15.12 ? 238 LEU A CD2 1 ATOM 1892 N N . PRO A 1 239 ? -15.498 -23.045 -7.242 1.00 13.22 ? 239 PRO A N 1 ATOM 1893 C CA . PRO A 1 239 ? -16.458 -22.817 -6.217 1.00 13.47 ? 239 PRO A CA 1 ATOM 1894 C C . PRO A 1 239 ? -17.734 -22.177 -6.787 1.00 14.54 ? 239 PRO A C 1 ATOM 1895 O O . PRO A 1 239 ? -17.668 -21.296 -7.655 1.00 13.88 ? 239 PRO A O 1 ATOM 1896 C CB . PRO A 1 239 ? -15.768 -21.816 -5.282 1.00 13.73 ? 239 PRO A CB 1 ATOM 1897 C CG . PRO A 1 239 ? -14.854 -21.015 -6.172 1.00 14.40 ? 239 PRO A CG 1 ATOM 1898 C CD . PRO A 1 239 ? -14.437 -22.027 -7.290 1.00 14.03 ? 239 PRO A CD 1 ATOM 1899 N N . ASN A 1 240 ? -18.881 -22.599 -6.247 1.00 13.65 ? 240 ASN A N 1 ATOM 1900 C CA . ASN A 1 240 ? -20.136 -21.835 -6.447 1.00 13.77 ? 240 ASN A CA 1 ATOM 1901 C C . ASN A 1 240 ? -20.210 -20.807 -5.354 1.00 12.56 ? 240 ASN A C 1 ATOM 1902 O O . ASN A 1 240 ? -19.399 -20.806 -4.423 1.00 15.08 ? 240 ASN A O 1 ATOM 1903 C CB . ASN A 1 240 ? -21.335 -22.743 -6.380 1.00 15.06 ? 240 ASN A CB 1 ATOM 1904 C CG . ASN A 1 240 ? -21.481 -23.551 -7.640 1.00 17.20 ? 240 ASN A CG 1 ATOM 1905 O OD1 . ASN A 1 240 ? -21.276 -23.030 -8.720 1.00 16.54 ? 240 ASN A OD1 1 ATOM 1906 N ND2 . ASN A 1 240 ? -21.799 -24.873 -7.507 1.00 14.28 ? 240 ASN A ND2 1 ATOM 1907 N N . ALA A 1 241 ? -21.141 -19.845 -5.475 1.00 12.84 ? 241 ALA A N 1 ATOM 1908 C CA . ALA A 1 241 ? -21.196 -18.797 -4.538 1.00 12.71 ? 241 ALA A CA 1 ATOM 1909 C C . ALA A 1 241 ? -22.014 -19.113 -3.238 1.00 13.42 ? 241 ALA A C 1 ATOM 1910 O O . ALA A 1 241 ? -22.131 -18.243 -2.383 1.00 14.70 ? 241 ALA A O 1 ATOM 1911 C CB . ALA A 1 241 ? -21.853 -17.562 -5.280 1.00 14.13 ? 241 ALA A CB 1 ATOM 1912 N N . ASP A 1 242 ? -22.536 -20.321 -3.145 1.00 13.05 ? 242 ASP A N 1 ATOM 1913 C CA . ASP A 1 242 ? -23.404 -20.744 -2.035 1.00 11.84 ? 242 ASP A CA 1 ATOM 1914 C C . ASP A 1 242 ? -22.706 -21.915 -1.288 1.00 12.02 ? 242 ASP A C 1 ATOM 1915 O O . ASP A 1 242 ? -23.388 -22.853 -0.775 1.00 12.58 ? 242 ASP A O 1 ATOM 1916 C CB . ASP A 1 242 ? -24.786 -21.119 -2.579 1.00 10.56 ? 242 ASP A CB 1 ATOM 1917 C CG . ASP A 1 242 ? -24.745 -22.377 -3.505 1.00 14.92 ? 242 ASP A CG 1 ATOM 1918 O OD1 . ASP A 1 242 ? -23.683 -22.787 -3.994 1.00 15.96 ? 242 ASP A OD1 1 ATOM 1919 O OD2 . ASP A 1 242 ? -25.804 -23.000 -3.674 1.00 19.44 ? 242 ASP A OD2 1 ATOM 1920 N N . GLU A 1 243 ? -21.373 -21.834 -1.148 1.00 12.27 ? 243 GLU A N 1 ATOM 1921 C CA . GLU A 1 243 ? -20.666 -22.893 -0.362 1.00 13.44 ? 243 GLU A CA 1 ATOM 1922 C C . GLU A 1 243 ? -20.992 -24.296 -0.891 1.00 15.99 ? 243 GLU A C 1 ATOM 1923 O O . GLU A 1 243 ? -21.242 -25.241 -0.121 1.00 14.50 ? 243 GLU A O 1 ATOM 1924 C CB . GLU A 1 243 ? -20.895 -22.759 1.173 1.00 13.74 ? 243 GLU A CB 1 ATOM 1925 C CG . GLU A 1 243 ? -20.356 -21.353 1.543 1.00 15.08 ? 243 GLU A CG 1 ATOM 1926 C CD . GLU A 1 243 ? -20.545 -20.997 2.997 1.00 15.84 ? 243 GLU A CD 1 ATOM 1927 O OE1 . GLU A 1 243 ? -19.722 -20.213 3.563 1.00 19.27 ? 243 GLU A OE1 1 ATOM 1928 O OE2 . GLU A 1 243 ? -21.577 -21.425 3.546 1.00 19.78 ? 243 GLU A OE2 1 ATOM 1929 N N . THR A 1 244 ? -20.930 -24.418 -2.206 1.00 14.87 ? 244 THR A N 1 ATOM 1930 C CA . THR A 1 244 ? -20.895 -25.736 -2.843 1.00 14.89 ? 244 THR A CA 1 ATOM 1931 C C . THR A 1 244 ? -19.904 -25.692 -4.007 1.00 15.10 ? 244 THR A C 1 ATOM 1932 O O . THR A 1 244 ? -19.334 -24.671 -4.344 1.00 13.28 ? 244 THR A O 1 ATOM 1933 C CB . THR A 1 244 ? -22.303 -26.103 -3.447 1.00 13.66 ? 244 THR A CB 1 ATOM 1934 O OG1 . THR A 1 244 ? -22.648 -25.286 -4.581 1.00 14.46 ? 244 THR A OG1 1 ATOM 1935 C CG2 . THR A 1 244 ? -23.464 -26.027 -2.405 1.00 15.39 ? 244 THR A CG2 1 ATOM 1936 N N . TRP A 1 245 ? -19.685 -26.819 -4.635 1.00 14.61 ? 245 TRP A N 1 ATOM 1937 C CA . TRP A 1 245 ? -18.630 -26.979 -5.629 1.00 14.87 ? 245 TRP A CA 1 ATOM 1938 C C . TRP A 1 245 ? -19.201 -27.341 -6.992 1.00 16.54 ? 245 TRP A C 1 ATOM 1939 O O . TRP A 1 245 ? -20.313 -27.909 -7.101 1.00 16.67 ? 245 TRP A O 1 ATOM 1940 C CB . TRP A 1 245 ? -17.695 -28.141 -5.159 1.00 15.30 ? 245 TRP A CB 1 ATOM 1941 C CG . TRP A 1 245 ? -16.842 -27.740 -3.962 1.00 14.69 ? 245 TRP A CG 1 ATOM 1942 C CD1 . TRP A 1 245 ? -17.022 -28.037 -2.642 1.00 13.40 ? 245 TRP A CD1 1 ATOM 1943 C CD2 . TRP A 1 245 ? -15.734 -26.854 -4.021 1.00 14.42 ? 245 TRP A CD2 1 ATOM 1944 N NE1 . TRP A 1 245 ? -16.006 -27.458 -1.878 1.00 14.62 ? 245 TRP A NE1 1 ATOM 1945 C CE2 . TRP A 1 245 ? -15.198 -26.738 -2.716 1.00 14.80 ? 245 TRP A CE2 1 ATOM 1946 C CE3 . TRP A 1 245 ? -15.103 -26.196 -5.080 1.00 15.15 ? 245 TRP A CE3 1 ATOM 1947 C CZ2 . TRP A 1 245 ? -14.086 -25.931 -2.432 1.00 14.84 ? 245 TRP A CZ2 1 ATOM 1948 C CZ3 . TRP A 1 245 ? -13.987 -25.444 -4.841 1.00 17.05 ? 245 TRP A CZ3 1 ATOM 1949 C CH2 . TRP A 1 245 ? -13.474 -25.301 -3.507 1.00 19.70 ? 245 TRP A CH2 1 ATOM 1950 N N . TYR A 1 246 ? -18.365 -27.066 -7.999 1.00 13.44 ? 246 TYR A N 1 ATOM 1951 C CA . TYR A 1 246 ? -18.627 -27.351 -9.418 1.00 14.52 ? 246 TYR A CA 1 ATOM 1952 C C . TYR A 1 246 ? -17.419 -28.094 -9.994 1.00 15.42 ? 246 TYR A C 1 ATOM 1953 O O . TYR A 1 246 ? -16.250 -27.698 -9.729 1.00 15.94 ? 246 TYR A O 1 ATOM 1954 C CB . TYR A 1 246 ? -18.784 -25.999 -10.167 1.00 14.55 ? 246 TYR A CB 1 ATOM 1955 C CG . TYR A 1 246 ? -19.089 -26.138 -11.662 1.00 14.05 ? 246 TYR A CG 1 ATOM 1956 C CD1 . TYR A 1 246 ? -20.371 -25.813 -12.169 1.00 15.85 ? 246 TYR A CD1 1 ATOM 1957 C CD2 . TYR A 1 246 ? -18.058 -26.432 -12.596 1.00 16.12 ? 246 TYR A CD2 1 ATOM 1958 C CE1 . TYR A 1 246 ? -20.645 -25.841 -13.565 1.00 16.96 ? 246 TYR A CE1 1 ATOM 1959 C CE2 . TYR A 1 246 ? -18.345 -26.476 -14.023 1.00 15.43 ? 246 TYR A CE2 1 ATOM 1960 C CZ . TYR A 1 246 ? -19.625 -26.206 -14.466 1.00 16.63 ? 246 TYR A CZ 1 ATOM 1961 O OH . TYR A 1 246 ? -19.822 -26.240 -15.824 1.00 18.22 ? 246 TYR A OH 1 ATOM 1962 N N . LEU A 1 247 ? -17.666 -29.160 -10.819 1.00 15.78 ? 247 LEU A N 1 ATOM 1963 C CA . LEU A 1 247 ? -16.541 -29.874 -11.421 1.00 16.43 ? 247 LEU A CA 1 ATOM 1964 C C . LEU A 1 247 ? -17.018 -30.426 -12.773 1.00 17.12 ? 247 LEU A C 1 ATOM 1965 O O . LEU A 1 247 ? -18.179 -30.887 -12.849 1.00 19.42 ? 247 LEU A O 1 ATOM 1966 C CB . LEU A 1 247 ? -16.169 -31.098 -10.512 1.00 16.16 ? 247 LEU A CB 1 ATOM 1967 C CG . LEU A 1 247 ? -15.061 -32.032 -10.996 1.00 20.13 ? 247 LEU A CG 1 ATOM 1968 C CD1 . LEU A 1 247 ? -13.713 -31.298 -10.937 1.00 23.55 ? 247 LEU A CD1 1 ATOM 1969 C CD2 . LEU A 1 247 ? -14.953 -33.336 -10.127 1.00 20.39 ? 247 LEU A CD2 1 ATOM 1970 N N . GLN A 1 248 ? -16.184 -30.405 -13.809 1.00 17.63 ? 248 GLN A N 1 ATOM 1971 C CA . GLN A 1 248 ? -16.563 -31.105 -15.058 1.00 18.62 ? 248 GLN A CA 1 ATOM 1972 C C . GLN A 1 248 ? -15.599 -32.244 -15.261 1.00 17.96 ? 248 GLN A C 1 ATOM 1973 O O . GLN A 1 248 ? -14.482 -32.194 -14.750 1.00 19.00 ? 248 GLN A O 1 ATOM 1974 C CB . GLN A 1 248 ? -16.338 -30.204 -16.279 1.00 20.82 ? 248 GLN A CB 1 ATOM 1975 C CG . GLN A 1 248 ? -16.635 -28.845 -16.106 1.00 25.75 ? 248 GLN A CG 1 ATOM 1976 C CD . GLN A 1 248 ? -16.635 -28.086 -17.426 1.00 30.57 ? 248 GLN A CD 1 ATOM 1977 O OE1 . GLN A 1 248 ? -17.583 -27.382 -17.695 1.00 38.00 ? 248 GLN A OE1 1 ATOM 1978 N NE2 . GLN A 1 248 ? -15.554 -28.219 -18.247 1.00 30.34 ? 248 GLN A NE2 1 ATOM 1979 N N . ALA A 1 249 ? -16.052 -33.321 -15.924 1.00 18.77 ? 249 ALA A N 1 ATOM 1980 C CA . ALA A 1 249 ? -15.139 -34.390 -16.357 1.00 19.41 ? 249 ALA A CA 1 ATOM 1981 C C . ALA A 1 249 ? -15.407 -34.587 -17.846 1.00 20.08 ? 249 ALA A C 1 ATOM 1982 O O . ALA A 1 249 ? -16.578 -34.634 -18.262 1.00 19.00 ? 249 ALA A O 1 ATOM 1983 C CB . ALA A 1 249 ? -15.488 -35.641 -15.583 1.00 18.26 ? 249 ALA A CB 1 ATOM 1984 N N . THR A 1 250 ? -14.342 -34.700 -18.666 1.00 21.04 ? 250 THR A N 1 ATOM 1985 C CA . THR A 1 250 ? -14.497 -34.670 -20.104 1.00 22.00 ? 250 THR A CA 1 ATOM 1986 C C . THR A 1 250 ? -13.940 -35.967 -20.635 1.00 21.92 ? 250 THR A C 1 ATOM 1987 O O . THR A 1 250 ? -13.140 -36.630 -19.959 1.00 21.07 ? 250 THR A O 1 ATOM 1988 C CB . THR A 1 250 ? -13.702 -33.528 -20.775 1.00 22.63 ? 250 THR A CB 1 ATOM 1989 O OG1 . THR A 1 250 ? -12.312 -33.668 -20.457 1.00 27.56 ? 250 THR A OG1 1 ATOM 1990 C CG2 . THR A 1 250 ? -14.162 -32.129 -20.282 1.00 20.26 ? 250 THR A CG2 1 ATOM 1991 N N . LEU A 1 251 ? -14.422 -36.390 -21.801 1.00 21.72 ? 251 LEU A N 1 ATOM 1992 C CA . LEU A 1 251 ? -13.891 -37.629 -22.391 1.00 23.68 ? 251 LEU A CA 1 ATOM 1993 C C . LEU A 1 251 ? -13.827 -37.400 -23.897 1.00 24.08 ? 251 LEU A C 1 ATOM 1994 O O . LEU A 1 251 ? -14.807 -36.959 -24.492 1.00 23.10 ? 251 LEU A O 1 ATOM 1995 C CB . LEU A 1 251 ? -14.773 -38.839 -22.029 1.00 23.19 ? 251 LEU A CB 1 ATOM 1996 C CG . LEU A 1 251 ? -14.500 -40.206 -22.696 1.00 25.26 ? 251 LEU A CG 1 ATOM 1997 C CD1 . LEU A 1 251 ? -13.344 -40.955 -21.985 1.00 25.82 ? 251 LEU A CD1 1 ATOM 1998 C CD2 . LEU A 1 251 ? -15.782 -41.088 -22.830 1.00 24.17 ? 251 LEU A CD2 1 ATOM 1999 N N . ASP A 1 252 ? -12.664 -37.631 -24.502 1.00 26.80 ? 252 ASP A N 1 ATOM 2000 C CA . ASP A 1 252 ? -12.564 -37.507 -25.966 1.00 28.39 ? 252 ASP A CA 1 ATOM 2001 C C . ASP A 1 252 ? -13.036 -38.777 -26.617 1.00 28.53 ? 252 ASP A C 1 ATOM 2002 O O . ASP A 1 252 ? -12.569 -39.856 -26.269 1.00 29.19 ? 252 ASP A O 1 ATOM 2003 C CB . ASP A 1 252 ? -11.139 -37.158 -26.414 1.00 28.88 ? 252 ASP A CB 1 ATOM 2004 C CG . ASP A 1 252 ? -10.788 -35.693 -26.147 1.00 33.55 ? 252 ASP A CG 1 ATOM 2005 O OD1 . ASP A 1 252 ? -11.722 -34.876 -26.004 1.00 37.78 ? 252 ASP A OD1 1 ATOM 2006 O OD2 . ASP A 1 252 ? -9.585 -35.348 -26.069 1.00 37.16 ? 252 ASP A OD2 1 ATOM 2007 N N . VAL A 1 253 ? -13.997 -38.668 -27.521 1.00 29.20 ? 253 VAL A N 1 ATOM 2008 C CA . VAL A 1 253 ? -14.578 -39.855 -28.140 1.00 31.04 ? 253 VAL A CA 1 ATOM 2009 C C . VAL A 1 253 ? -14.600 -39.759 -29.675 1.00 32.95 ? 253 VAL A C 1 ATOM 2010 O O . VAL A 1 253 ? -14.894 -38.695 -30.255 1.00 32.96 ? 253 VAL A O 1 ATOM 2011 C CB . VAL A 1 253 ? -16.020 -40.134 -27.660 1.00 31.31 ? 253 VAL A CB 1 ATOM 2012 C CG1 . VAL A 1 253 ? -16.123 -40.148 -26.131 1.00 29.01 ? 253 VAL A CG1 1 ATOM 2013 C CG2 . VAL A 1 253 ? -16.958 -39.135 -28.229 1.00 30.66 ? 253 VAL A CG2 1 ATOM 2014 N N . GLU A 1 254 ? -14.274 -40.869 -30.322 1.00 34.52 ? 254 GLU A N 1 ATOM 2015 C CA . GLU A 1 254 ? -14.460 -40.975 -31.755 1.00 37.61 ? 254 GLU A CA 1 ATOM 2016 C C . GLU A 1 254 ? -15.927 -40.729 -32.111 1.00 38.71 ? 254 GLU A C 1 ATOM 2017 O O . GLU A 1 254 ? -16.849 -41.392 -31.606 1.00 38.95 ? 254 GLU A O 1 ATOM 2018 C CB . GLU A 1 254 ? -13.979 -42.334 -32.270 1.00 36.94 ? 254 GLU A CB 1 ATOM 2019 C CG . GLU A 1 254 ? -14.818 -42.924 -33.394 1.00 39.10 ? 254 GLU A CG 1 ATOM 2020 C CD . GLU A 1 254 ? -14.398 -44.346 -33.753 1.00 40.71 ? 254 GLU A CD 1 ATOM 2021 O OE1 . GLU A 1 254 ? -13.225 -44.547 -34.139 1.00 41.46 ? 254 GLU A OE1 1 ATOM 2022 O OE2 . GLU A 1 254 ? -15.244 -45.263 -33.652 1.00 40.76 ? 254 GLU A OE2 1 ATOM 2023 N N . ALA A 1 255 ? -16.117 -39.734 -32.968 1.00 40.10 ? 255 ALA A N 1 ATOM 2024 C CA . ALA A 1 255 ? -17.408 -39.428 -33.564 1.00 40.83 ? 255 ALA A CA 1 ATOM 2025 C C . ALA A 1 255 ? -18.210 -40.672 -33.970 1.00 41.08 ? 255 ALA A C 1 ATOM 2026 O O . ALA A 1 255 ? -17.682 -41.631 -34.563 1.00 41.38 ? 255 ALA A O 1 ATOM 2027 C CB . ALA A 1 255 ? -17.210 -38.503 -34.787 1.00 40.92 ? 255 ALA A CB 1 ATOM 2028 N N . GLY A 1 256 ? -19.504 -40.632 -33.666 1.00 40.93 ? 256 GLY A N 1 ATOM 2029 C CA . GLY A 1 256 ? -20.392 -41.725 -34.007 1.00 40.18 ? 256 GLY A CA 1 ATOM 2030 C C . GLY A 1 256 ? -20.462 -42.762 -32.905 1.00 39.60 ? 256 GLY A C 1 ATOM 2031 O O . GLY A 1 256 ? -21.295 -43.661 -32.964 1.00 40.16 ? 256 GLY A O 1 ATOM 2032 N N . GLU A 1 257 ? -19.597 -42.659 -31.898 1.00 38.73 ? 257 GLU A N 1 ATOM 2033 C CA . GLU A 1 257 ? -19.489 -43.745 -30.926 1.00 37.70 ? 257 GLU A CA 1 ATOM 2034 C C . GLU A 1 257 ? -19.704 -43.269 -29.505 1.00 36.68 ? 257 GLU A C 1 ATOM 2035 O O . GLU A 1 257 ? -18.979 -43.646 -28.570 1.00 36.39 ? 257 GLU A O 1 ATOM 2036 C CB . GLU A 1 257 ? -18.164 -44.491 -31.082 1.00 38.31 ? 257 GLU A CB 1 ATOM 2037 C CG . GLU A 1 257 ? -17.388 -44.605 -29.796 1.00 39.71 ? 257 GLU A CG 1 ATOM 2038 C CD . GLU A 1 257 ? -15.916 -44.364 -30.009 1.00 41.53 ? 257 GLU A CD 1 ATOM 2039 O OE1 . GLU A 1 257 ? -15.392 -43.385 -29.418 1.00 40.51 ? 257 GLU A OE1 1 ATOM 2040 O OE2 . GLU A 1 257 ? -15.297 -45.131 -30.791 1.00 41.79 ? 257 GLU A OE2 1 ATOM 2041 N N . GLU A 1 258 ? -20.753 -42.463 -29.371 1.00 34.65 ? 258 GLU A N 1 ATOM 2042 C CA . GLU A 1 258 ? -21.127 -41.811 -28.149 1.00 32.51 ? 258 GLU A CA 1 ATOM 2043 C C . GLU A 1 258 ? -22.306 -42.547 -27.540 1.00 30.40 ? 258 GLU A C 1 ATOM 2044 O O . GLU A 1 258 ? -22.594 -42.447 -26.340 1.00 28.68 ? 258 GLU A O 1 ATOM 2045 C CB . GLU A 1 258 ? -21.497 -40.377 -28.491 1.00 33.18 ? 258 GLU A CB 1 ATOM 2046 C CG . GLU A 1 258 ? -20.404 -39.724 -29.296 1.00 34.83 ? 258 GLU A CG 1 ATOM 2047 C CD . GLU A 1 258 ? -20.924 -38.823 -30.387 1.00 38.00 ? 258 GLU A CD 1 ATOM 2048 O OE1 . GLU A 1 258 ? -20.290 -37.779 -30.629 1.00 41.98 ? 258 GLU A OE1 1 ATOM 2049 O OE2 . GLU A 1 258 ? -21.945 -39.154 -31.024 1.00 40.43 ? 258 GLU A OE2 1 ATOM 2050 N N . ALA A 1 259 ? -22.984 -43.305 -28.390 1.00 28.82 ? 259 ALA A N 1 ATOM 2051 C CA . ALA A 1 259 ? -24.064 -44.163 -27.944 1.00 26.71 ? 259 ALA A CA 1 ATOM 2052 C C . ALA A 1 259 ? -23.559 -45.190 -26.904 1.00 25.68 ? 259 ALA A C 1 ATOM 2053 O O . ALA A 1 259 ? -22.497 -45.808 -27.071 1.00 24.07 ? 259 ALA A O 1 ATOM 2054 C CB . ALA A 1 259 ? -24.703 -44.872 -29.163 1.00 27.20 ? 259 ALA A CB 1 ATOM 2055 N N . GLY A 1 260 ? -24.322 -45.357 -25.827 1.00 24.00 ? 260 GLY A N 1 ATOM 2056 C CA . GLY A 1 260 ? -23.937 -46.295 -24.802 1.00 22.80 ? 260 GLY A CA 1 ATOM 2057 C C . GLY A 1 260 ? -23.124 -45.667 -23.683 1.00 22.08 ? 260 GLY A C 1 ATOM 2058 O O . GLY A 1 260 ? -22.912 -46.307 -22.652 1.00 21.74 ? 260 GLY A O 1 ATOM 2059 N N . LEU A 1 261 ? -22.669 -44.428 -23.876 1.00 21.40 ? 261 LEU A N 1 ATOM 2060 C CA . LEU A 1 261 ? -21.924 -43.746 -22.811 1.00 21.52 ? 261 LEU A CA 1 ATOM 2061 C C . LEU A 1 261 ? -22.834 -43.086 -21.765 1.00 20.61 ? 261 LEU A C 1 ATOM 2062 O O . LEU A 1 261 ? -23.968 -42.671 -22.045 1.00 21.34 ? 261 LEU A O 1 ATOM 2063 C CB . LEU A 1 261 ? -20.917 -42.743 -23.372 1.00 22.59 ? 261 LEU A CB 1 ATOM 2064 C CG . LEU A 1 261 ? -19.830 -43.296 -24.303 1.00 24.15 ? 261 LEU A CG 1 ATOM 2065 C CD1 . LEU A 1 261 ? -18.968 -42.143 -24.806 1.00 23.85 ? 261 LEU A CD1 1 ATOM 2066 C CD2 . LEU A 1 261 ? -18.986 -44.317 -23.550 1.00 29.23 ? 261 LEU A CD2 1 ATOM 2067 N N . ALA A 1 262 ? -22.355 -43.029 -20.538 1.00 19.78 ? 262 ALA A N 1 ATOM 2068 C CA . ALA A 1 262 ? -23.096 -42.303 -19.498 1.00 19.19 ? 262 ALA A CA 1 ATOM 2069 C C . ALA A 1 262 ? -22.123 -41.635 -18.567 1.00 18.78 ? 262 ALA A C 1 ATOM 2070 O O . ALA A 1 262 ? -20.990 -42.091 -18.432 1.00 18.14 ? 262 ALA A O 1 ATOM 2071 C CB . ALA A 1 262 ? -23.974 -43.263 -18.687 1.00 19.01 ? 262 ALA A CB 1 ATOM 2072 N N . CYS A 1 263 ? -22.553 -40.550 -17.898 1.00 18.87 ? 263 CYS A N 1 ATOM 2073 C CA . CYS A 1 263 ? -21.745 -39.976 -16.809 1.00 18.59 ? 263 CYS A CA 1 ATOM 2074 C C . CYS A 1 263 ? -22.276 -40.544 -15.480 1.00 18.22 ? 263 CYS A C 1 ATOM 2075 O O . CYS A 1 263 ? -23.486 -40.518 -15.239 1.00 16.98 ? 263 CYS A O 1 ATOM 2076 C CB . CYS A 1 263 ? -21.841 -38.417 -16.823 1.00 19.48 ? 263 CYS A CB 1 ATOM 2077 S SG . CYS A 1 263 ? -20.860 -37.704 -15.503 1.00 25.40 ? 263 CYS A SG 1 ATOM 2078 N N . ARG A 1 264 ? -21.389 -41.016 -14.608 1.00 15.43 ? 264 ARG A N 1 ATOM 2079 C CA . ARG A 1 264 ? -21.835 -41.481 -13.317 1.00 16.86 ? 264 ARG A CA 1 ATOM 2080 C C . ARG A 1 264 ? -21.268 -40.603 -12.189 1.00 16.71 ? 264 ARG A C 1 ATOM 2081 O O . ARG A 1 264 ? -20.086 -40.313 -12.144 1.00 17.16 ? 264 ARG A O 1 ATOM 2082 C CB . ARG A 1 264 ? -21.421 -42.963 -13.186 1.00 15.95 ? 264 ARG A CB 1 ATOM 2083 C CG . ARG A 1 264 ? -21.941 -43.625 -11.932 1.00 18.71 ? 264 ARG A CG 1 ATOM 2084 C CD . ARG A 1 264 ? -21.964 -45.215 -12.089 1.00 22.71 ? 264 ARG A CD 1 ATOM 2085 N NE . ARG A 1 264 ? -22.743 -45.736 -10.989 1.00 28.80 ? 264 ARG A NE 1 ATOM 2086 C CZ . ARG A 1 264 ? -23.537 -46.785 -11.048 1.00 31.20 ? 264 ARG A CZ 1 ATOM 2087 N NH1 . ARG A 1 264 ? -23.634 -47.472 -12.188 1.00 32.12 ? 264 ARG A NH1 1 ATOM 2088 N NH2 . ARG A 1 264 ? -24.187 -47.179 -9.954 1.00 36.04 ? 264 ARG A NH2 1 ATOM 2089 N N . VAL A 1 265 ? -22.078 -40.238 -11.212 1.00 17.31 ? 265 VAL A N 1 ATOM 2090 C CA . VAL A 1 265 ? -21.598 -39.372 -10.124 1.00 15.86 ? 265 VAL A CA 1 ATOM 2091 C C . VAL A 1 265 ? -21.894 -40.062 -8.800 1.00 16.69 ? 265 VAL A C 1 ATOM 2092 O O . VAL A 1 265 ? -23.031 -40.433 -8.512 1.00 16.75 ? 265 VAL A O 1 ATOM 2093 C CB . VAL A 1 265 ? -22.318 -37.967 -10.114 1.00 15.94 ? 265 VAL A CB 1 ATOM 2094 C CG1 . VAL A 1 265 ? -21.795 -37.170 -8.925 1.00 15.68 ? 265 VAL A CG1 1 ATOM 2095 C CG2 . VAL A 1 265 ? -22.099 -37.226 -11.407 1.00 18.14 ? 265 VAL A CG2 1 ATOM 2096 N N . LYS A 1 266 ? -20.867 -40.241 -7.995 1.00 15.58 ? 266 LYS A N 1 ATOM 2097 C CA . LYS A 1 266 ? -21.013 -40.788 -6.667 1.00 15.35 ? 266 LYS A CA 1 ATOM 2098 C C . LYS A 1 266 ? -20.699 -39.666 -5.657 1.00 16.95 ? 266 LYS A C 1 ATOM 2099 O O . LYS A 1 266 ? -19.672 -38.970 -5.806 1.00 17.11 ? 266 LYS A O 1 ATOM 2100 C CB . LYS A 1 266 ? -20.003 -41.907 -6.500 1.00 16.95 ? 266 LYS A CB 1 ATOM 2101 C CG . LYS A 1 266 ? -20.379 -43.156 -7.224 1.00 17.99 ? 266 LYS A CG 1 ATOM 2102 C CD . LYS A 1 266 ? -19.311 -44.244 -6.920 1.00 18.29 ? 266 LYS A CD 1 ATOM 2103 C CE . LYS A 1 266 ? -19.613 -45.508 -7.712 1.00 19.97 ? 266 LYS A CE 1 ATOM 2104 N NZ . LYS A 1 266 ? -20.845 -46.253 -7.248 1.00 22.21 ? 266 LYS A NZ 1 ATOM 2105 N N . HIS A 1 267 ? -21.564 -39.457 -4.655 1.00 16.66 ? 267 HIS A N 1 ATOM 2106 C CA . HIS A 1 267 ? -21.266 -38.400 -3.695 1.00 16.34 ? 267 HIS A CA 1 ATOM 2107 C C . HIS A 1 267 ? -21.933 -38.727 -2.351 1.00 16.99 ? 267 HIS A C 1 ATOM 2108 O O . HIS A 1 267 ? -23.027 -39.324 -2.326 1.00 18.14 ? 267 HIS A O 1 ATOM 2109 C CB . HIS A 1 267 ? -21.770 -36.997 -4.197 1.00 15.02 ? 267 HIS A CB 1 ATOM 2110 C CG . HIS A 1 267 ? -21.377 -35.882 -3.285 1.00 15.59 ? 267 HIS A CG 1 ATOM 2111 N ND1 . HIS A 1 267 ? -22.230 -35.328 -2.353 1.00 16.78 ? 267 HIS A ND1 1 ATOM 2112 C CD2 . HIS A 1 267 ? -20.194 -35.244 -3.139 1.00 14.28 ? 267 HIS A CD2 1 ATOM 2113 C CE1 . HIS A 1 267 ? -21.582 -34.430 -1.645 1.00 18.27 ? 267 HIS A CE1 1 ATOM 2114 N NE2 . HIS A 1 267 ? -20.350 -34.330 -2.126 1.00 18.40 ? 267 HIS A NE2 1 ATOM 2115 N N . SER A 1 268 ? -21.289 -38.347 -1.245 1.00 16.26 ? 268 SER A N 1 ATOM 2116 C CA . SER A 1 268 ? -21.784 -38.719 0.092 1.00 16.87 ? 268 SER A CA 1 ATOM 2117 C C . SER A 1 268 ? -23.265 -38.315 0.308 1.00 17.46 ? 268 SER A C 1 ATOM 2118 O O . SER A 1 268 ? -23.990 -38.977 1.049 1.00 18.59 ? 268 SER A O 1 ATOM 2119 C CB . SER A 1 268 ? -20.904 -38.047 1.156 1.00 17.32 ? 268 SER A CB 1 ATOM 2120 O OG . SER A 1 268 ? -20.746 -36.648 0.848 1.00 18.22 ? 268 SER A OG 1 ATOM 2121 N N . SER A 1 269 ? -23.707 -37.226 -0.320 1.00 15.57 ? 269 SER A N 1 ATOM 2122 C CA . SER A 1 269 ? -25.069 -36.682 -0.089 1.00 15.92 ? 269 SER A CA 1 ATOM 2123 C C . SER A 1 269 ? -26.155 -37.584 -0.708 1.00 19.10 ? 269 SER A C 1 ATOM 2124 O O . SER A 1 269 ? -27.324 -37.468 -0.321 1.00 19.42 ? 269 SER A O 1 ATOM 2125 C CB . SER A 1 269 ? -25.152 -35.256 -0.664 1.00 16.49 ? 269 SER A CB 1 ATOM 2126 O OG . SER A 1 269 ? -25.065 -35.373 -2.082 1.00 14.57 ? 269 SER A OG 1 ATOM 2127 N N . LEU A 1 270 ? -25.786 -38.500 -1.608 1.00 16.34 ? 270 LEU A N 1 ATOM 2128 C CA . LEU A 1 270 ? -26.758 -39.233 -2.468 1.00 19.31 ? 270 LEU A CA 1 ATOM 2129 C C . LEU A 1 270 ? -27.117 -40.584 -1.858 1.00 21.44 ? 270 LEU A C 1 ATOM 2130 O O . LEU A 1 270 ? -28.039 -41.276 -2.325 1.00 22.19 ? 270 LEU A O 1 ATOM 2131 C CB . LEU A 1 270 ? -26.141 -39.495 -3.840 1.00 16.63 ? 270 LEU A CB 1 ATOM 2132 C CG . LEU A 1 270 ? -25.855 -38.231 -4.652 1.00 17.44 ? 270 LEU A CG 1 ATOM 2133 C CD1 . LEU A 1 270 ? -25.147 -38.553 -5.966 1.00 19.79 ? 270 LEU A CD1 1 ATOM 2134 C CD2 . LEU A 1 270 ? -27.154 -37.465 -4.948 1.00 20.51 ? 270 LEU A CD2 1 ATOM 2135 N N . GLY A 1 271 ? -26.395 -40.931 -0.796 1.00 22.84 ? 271 GLY A N 1 ATOM 2136 C CA . GLY A 1 271 ? -26.441 -42.305 -0.292 1.00 26.25 ? 271 GLY A CA 1 ATOM 2137 C C . GLY A 1 271 ? -25.747 -43.105 -1.367 1.00 27.22 ? 271 GLY A C 1 ATOM 2138 O O . GLY A 1 271 ? -24.753 -42.648 -2.007 1.00 31.52 ? 271 GLY A O 1 ATOM 2139 N N . GLY A 1 272 ? -26.274 -44.273 -1.607 1.00 27.19 ? 272 GLY A N 1 ATOM 2140 C CA . GLY A 1 272 ? -25.755 -45.103 -2.650 1.00 26.58 ? 272 GLY A CA 1 ATOM 2141 C C . GLY A 1 272 ? -26.598 -44.923 -3.885 1.00 25.86 ? 272 GLY A C 1 ATOM 2142 O O . GLY A 1 272 ? -26.548 -45.776 -4.736 1.00 27.45 ? 272 GLY A O 1 ATOM 2143 N N . GLN A 1 273 ? -27.321 -43.794 -4.021 1.00 23.31 ? 273 GLN A N 1 ATOM 2144 C CA . GLN A 1 273 ? -28.147 -43.547 -5.236 1.00 22.10 ? 273 GLN A CA 1 ATOM 2145 C C . GLN A 1 273 ? -27.390 -42.665 -6.196 1.00 20.52 ? 273 GLN A C 1 ATOM 2146 O O . GLN A 1 273 ? -27.647 -41.459 -6.242 1.00 19.89 ? 273 GLN A O 1 ATOM 2147 C CB . GLN A 1 273 ? -29.449 -42.824 -4.900 1.00 22.50 ? 273 GLN A CB 1 ATOM 2148 C CG . GLN A 1 273 ? -30.479 -43.686 -4.210 1.00 26.19 ? 273 GLN A CG 1 ATOM 2149 C CD . GLN A 1 273 ? -31.878 -43.075 -4.248 1.00 30.44 ? 273 GLN A CD 1 ATOM 2150 O OE1 . GLN A 1 273 ? -32.514 -43.009 -5.304 1.00 31.05 ? 273 GLN A OE1 1 ATOM 2151 N NE2 . GLN A 1 273 ? -32.380 -42.662 -3.070 1.00 31.36 ? 273 GLN A NE2 1 ATOM 2152 N N . ASP A 1 274 ? -26.459 -43.242 -6.949 1.00 19.05 ? 274 ASP A N 1 ATOM 2153 C CA . ASP A 1 274 ? -25.613 -42.424 -7.848 1.00 19.43 ? 274 ASP A CA 1 ATOM 2154 C C . ASP A 1 274 ? -26.444 -41.749 -8.884 1.00 18.72 ? 274 ASP A C 1 ATOM 2155 O O . ASP A 1 274 ? -27.502 -42.227 -9.310 1.00 19.21 ? 274 ASP A O 1 ATOM 2156 C CB . ASP A 1 274 ? -24.606 -43.309 -8.601 1.00 18.16 ? 274 ASP A CB 1 ATOM 2157 C CG . ASP A 1 274 ? -23.617 -43.986 -7.689 1.00 19.47 ? 274 ASP A CG 1 ATOM 2158 O OD1 . ASP A 1 274 ? -23.602 -43.748 -6.446 1.00 21.74 ? 274 ASP A OD1 1 ATOM 2159 O OD2 . ASP A 1 274 ? -22.848 -44.841 -8.232 1.00 21.95 ? 274 ASP A OD2 1 ATOM 2160 N N . ILE A 1 275 ? -25.971 -40.621 -9.343 1.00 17.46 ? 275 ILE A N 1 ATOM 2161 C CA . ILE A 1 275 ? -26.542 -40.054 -10.548 1.00 17.67 ? 275 ILE A CA 1 ATOM 2162 C C . ILE A 1 275 ? -25.961 -40.734 -11.782 1.00 18.53 ? 275 ILE A C 1 ATOM 2163 O O . ILE A 1 275 ? -24.742 -40.968 -11.826 1.00 19.01 ? 275 ILE A O 1 ATOM 2164 C CB . ILE A 1 275 ? -26.183 -38.580 -10.619 1.00 18.36 ? 275 ILE A CB 1 ATOM 2165 C CG1 . ILE A 1 275 ? -26.893 -37.850 -9.474 1.00 21.11 ? 275 ILE A CG1 1 ATOM 2166 C CG2 . ILE A 1 275 ? -26.492 -38.028 -12.056 1.00 21.03 ? 275 ILE A CG2 1 ATOM 2167 C CD1 . ILE A 1 275 ? -26.502 -36.434 -9.385 1.00 27.74 ? 275 ILE A CD1 1 ATOM 2168 N N . ILE A 1 276 ? -26.814 -41.213 -12.688 1.00 19.01 ? 276 ILE A N 1 ATOM 2169 C CA . ILE A 1 276 ? -26.335 -41.754 -13.979 1.00 19.31 ? 276 ILE A CA 1 ATOM 2170 C C . ILE A 1 276 ? -27.057 -40.998 -15.071 1.00 19.87 ? 276 ILE A C 1 ATOM 2171 O O . ILE A 1 276 ? -28.289 -41.020 -15.117 1.00 19.54 ? 276 ILE A O 1 ATOM 2172 C CB . ILE A 1 276 ? -26.649 -43.273 -14.133 1.00 21.05 ? 276 ILE A CB 1 ATOM 2173 C CG1 . ILE A 1 276 ? -25.992 -44.035 -13.001 1.00 19.62 ? 276 ILE A CG1 1 ATOM 2174 C CG2 . ILE A 1 276 ? -26.081 -43.833 -15.467 1.00 21.21 ? 276 ILE A CG2 1 ATOM 2175 C CD1 . ILE A 1 276 ? -26.349 -45.547 -13.006 1.00 21.01 ? 276 ILE A CD1 1 ATOM 2176 N N . LEU A 1 277 ? -26.299 -40.352 -15.958 1.00 19.84 ? 277 LEU A N 1 ATOM 2177 C CA . LEU A 1 277 ? -26.853 -39.541 -17.070 1.00 22.08 ? 277 LEU A CA 1 ATOM 2178 C C . LEU A 1 277 ? -26.406 -40.158 -18.347 1.00 22.31 ? 277 LEU A C 1 ATOM 2179 O O . LEU A 1 277 ? -25.218 -40.154 -18.628 1.00 22.18 ? 277 LEU A O 1 ATOM 2180 C CB . LEU A 1 277 ? -26.358 -38.070 -17.060 1.00 21.83 ? 277 LEU A CB 1 ATOM 2181 C CG . LEU A 1 277 ? -27.048 -37.176 -16.058 1.00 26.01 ? 277 LEU A CG 1 ATOM 2182 C CD1 . LEU A 1 277 ? -26.552 -35.701 -16.207 1.00 24.64 ? 277 LEU A CD1 1 ATOM 2183 C CD2 . LEU A 1 277 ? -28.528 -37.247 -16.432 1.00 28.11 ? 277 LEU A CD2 1 ATOM 2184 N N . TYR A 1 278 ? -27.334 -40.700 -19.118 1.00 22.75 ? 278 TYR A N 1 ATOM 2185 C CA . TYR A 1 278 ? -26.972 -41.364 -20.362 1.00 23.72 ? 278 TYR A CA 1 ATOM 2186 C C . TYR A 1 278 ? -26.882 -40.375 -21.516 1.00 24.79 ? 278 TYR A C 1 ATOM 2187 O O . TYR A 1 278 ? -27.776 -39.562 -21.701 1.00 23.85 ? 278 TYR A O 1 ATOM 2188 C CB . TYR A 1 278 ? -28.025 -42.432 -20.704 1.00 23.25 ? 278 TYR A CB 1 ATOM 2189 C CG . TYR A 1 278 ? -28.082 -43.526 -19.705 1.00 22.59 ? 278 TYR A CG 1 ATOM 2190 C CD1 . TYR A 1 278 ? -29.028 -43.507 -18.663 1.00 22.89 ? 278 TYR A CD1 1 ATOM 2191 C CD2 . TYR A 1 278 ? -27.193 -44.589 -19.765 1.00 20.21 ? 278 TYR A CD2 1 ATOM 2192 C CE1 . TYR A 1 278 ? -29.068 -44.534 -17.701 1.00 23.81 ? 278 TYR A CE1 1 ATOM 2193 C CE2 . TYR A 1 278 ? -27.264 -45.643 -18.847 1.00 21.37 ? 278 TYR A CE2 1 ATOM 2194 C CZ . TYR A 1 278 ? -28.184 -45.603 -17.807 1.00 23.53 ? 278 TYR A CZ 1 ATOM 2195 O OH . TYR A 1 278 ? -28.204 -46.634 -16.863 1.00 24.68 ? 278 TYR A OH 1 ATOM 2196 N N . TRP A 1 279 ? -25.824 -40.478 -22.304 1.00 25.94 ? 279 TRP A N 1 ATOM 2197 C CA . TRP A 1 279 ? -25.700 -39.637 -23.478 1.00 29.56 ? 279 TRP A CA 1 ATOM 2198 C C . TRP A 1 279 ? -26.741 -39.993 -24.538 1.00 32.62 ? 279 TRP A C 1 ATOM 2199 O O . TRP A 1 279 ? -27.031 -41.168 -24.747 1.00 30.19 ? 279 TRP A O 1 ATOM 2200 C CB . TRP A 1 279 ? -24.317 -39.785 -24.113 1.00 29.05 ? 279 TRP A CB 1 ATOM 2201 C CG . TRP A 1 279 ? -24.156 -38.853 -25.291 1.00 28.58 ? 279 TRP A CG 1 ATOM 2202 C CD1 . TRP A 1 279 ? -24.311 -39.168 -26.611 1.00 32.36 ? 279 TRP A CD1 1 ATOM 2203 C CD2 . TRP A 1 279 ? -23.828 -37.463 -25.243 1.00 29.53 ? 279 TRP A CD2 1 ATOM 2204 N NE1 . TRP A 1 279 ? -24.105 -38.053 -27.391 1.00 28.25 ? 279 TRP A NE1 1 ATOM 2205 C CE2 . TRP A 1 279 ? -23.805 -36.992 -26.574 1.00 29.67 ? 279 TRP A CE2 1 ATOM 2206 C CE3 . TRP A 1 279 ? -23.572 -36.572 -24.211 1.00 31.90 ? 279 TRP A CE3 1 ATOM 2207 C CZ2 . TRP A 1 279 ? -23.521 -35.685 -26.897 1.00 28.65 ? 279 TRP A CZ2 1 ATOM 2208 C CZ3 . TRP A 1 279 ? -23.276 -35.250 -24.532 1.00 30.48 ? 279 TRP A CZ3 1 ATOM 2209 C CH2 . TRP A 1 279 ? -23.267 -34.817 -25.857 1.00 30.82 ? 279 TRP A CH2 1 ATOM 2210 N N . GLY A 1 280 ? -27.298 -38.965 -25.168 1.00 37.39 ? 280 GLY A N 1 ATOM 2211 C CA . GLY A 1 280 ? -28.018 -39.079 -26.446 1.00 44.12 ? 280 GLY A CA 1 ATOM 2212 C C . GLY A 1 280 ? -29.432 -39.568 -26.278 1.00 48.08 ? 280 GLY A C 1 ATOM 2213 O O . GLY A 1 280 ? -29.888 -40.444 -27.023 1.00 50.15 ? 280 GLY A O 1 ATOM 2214 N N . SER A 1 281 ? -30.146 -39.004 -25.306 1.00 51.06 ? 281 SER A N 1 ATOM 2215 C CA . SER A 1 281 ? -31.248 -39.741 -24.711 1.00 53.05 ? 281 SER A CA 1 ATOM 2216 C C . SER A 1 281 ? -32.295 -38.835 -24.057 1.00 53.49 ? 281 SER A C 1 ATOM 2217 O O . SER A 1 281 ? -31.959 -37.992 -23.226 1.00 54.89 ? 281 SER A O 1 ATOM 2218 C CB . SER A 1 281 ? -30.654 -40.765 -23.715 1.00 53.07 ? 281 SER A CB 1 ATOM 2219 O OG . SER A 1 281 ? -31.383 -40.858 -22.498 1.00 55.02 ? 281 SER A OG 1 ATOM 2220 N N . ILE B 2 1 ? 6.416 -10.452 -8.875 1.00 35.58 ? 1 ILE B N 1 ATOM 2221 C CA . ILE B 2 1 ? 6.290 -10.361 -10.354 1.00 34.77 ? 1 ILE B CA 1 ATOM 2222 C C . ILE B 2 1 ? 4.803 -10.371 -10.655 1.00 32.56 ? 1 ILE B C 1 ATOM 2223 O O . ILE B 2 1 ? 4.021 -10.943 -9.888 1.00 33.12 ? 1 ILE B O 1 ATOM 2224 C CB . ILE B 2 1 ? 6.931 -11.578 -11.075 1.00 35.93 ? 1 ILE B CB 1 ATOM 2225 C CG1 . ILE B 2 1 ? 6.615 -11.528 -12.580 1.00 35.80 ? 1 ILE B CG1 1 ATOM 2226 C CG2 . ILE B 2 1 ? 6.393 -12.927 -10.457 1.00 37.68 ? 1 ILE B CG2 1 ATOM 2227 C CD1 . ILE B 2 1 ? 7.675 -10.841 -13.472 1.00 40.46 ? 1 ILE B CD1 1 ATOM 2228 N N . GLN B 2 2 ? 4.385 -9.760 -11.754 1.00 30.32 ? 2 GLN B N 1 ATOM 2229 C CA . GLN B 2 2 ? 2.936 -9.765 -12.012 1.00 28.20 ? 2 GLN B CA 1 ATOM 2230 C C . GLN B 2 2 ? 2.524 -11.125 -12.504 1.00 27.06 ? 2 GLN B C 1 ATOM 2231 O O . GLN B 2 2 ? 3.250 -11.741 -13.302 1.00 26.19 ? 2 GLN B O 1 ATOM 2232 C CB . GLN B 2 2 ? 2.555 -8.766 -13.102 1.00 29.10 ? 2 GLN B CB 1 ATOM 2233 C CG . GLN B 2 2 ? 2.880 -7.332 -12.794 1.00 32.08 ? 2 GLN B CG 1 ATOM 2234 C CD . GLN B 2 2 ? 2.621 -6.488 -14.002 1.00 33.40 ? 2 GLN B CD 1 ATOM 2235 O OE1 . GLN B 2 2 ? 3.014 -6.850 -15.106 1.00 34.04 ? 2 GLN B OE1 1 ATOM 2236 N NE2 . GLN B 2 2 ? 1.967 -5.351 -13.812 1.00 36.47 ? 2 GLN B NE2 1 ATOM 2237 N N . LYS B 2 3 ? 1.310 -11.545 -12.136 1.00 23.10 ? 3 LYS B N 1 ATOM 2238 C CA . LYS B 2 3 ? 0.728 -12.753 -12.747 1.00 23.45 ? 3 LYS B CA 1 ATOM 2239 C C . LYS B 2 3 ? -0.597 -12.382 -13.366 1.00 21.33 ? 3 LYS B C 1 ATOM 2240 O O . LYS B 2 3 ? -1.375 -11.653 -12.761 1.00 20.13 ? 3 LYS B O 1 ATOM 2241 C CB . LYS B 2 3 ? 0.537 -13.873 -11.728 1.00 22.96 ? 3 LYS B CB 1 ATOM 2242 C CG . LYS B 2 3 ? 1.943 -14.348 -11.158 1.00 29.25 ? 3 LYS B CG 1 ATOM 2243 C CD . LYS B 2 3 ? 1.793 -15.387 -10.058 1.00 34.37 ? 3 LYS B CD 1 ATOM 2244 C CE . LYS B 2 3 ? 0.961 -16.575 -10.570 1.00 39.18 ? 3 LYS B CE 1 ATOM 2245 N NZ . LYS B 2 3 ? 1.224 -17.841 -9.777 1.00 43.76 ? 3 LYS B NZ 1 ATOM 2246 N N . THR B 2 4 ? -0.806 -12.883 -14.593 1.00 21.05 ? 4 THR B N 1 ATOM 2247 C CA . THR B 2 4 ? -2.035 -12.656 -15.364 1.00 18.77 ? 4 THR B CA 1 ATOM 2248 C C . THR B 2 4 ? -3.250 -13.438 -14.889 1.00 18.65 ? 4 THR B C 1 ATOM 2249 O O . THR B 2 4 ? -3.159 -14.641 -14.701 1.00 19.20 ? 4 THR B O 1 ATOM 2250 C CB . THR B 2 4 ? -1.739 -13.186 -16.829 1.00 17.95 ? 4 THR B CB 1 ATOM 2251 O OG1 . THR B 2 4 ? -0.536 -12.501 -17.236 1.00 21.75 ? 4 THR B OG1 1 ATOM 2252 C CG2 . THR B 2 4 ? -2.771 -12.789 -17.702 1.00 20.55 ? 4 THR B CG2 1 ATOM 2253 N N . PRO B 2 5 ? -4.395 -12.769 -14.756 1.00 17.74 ? 5 PRO B N 1 ATOM 2254 C CA . PRO B 2 5 ? -5.621 -13.537 -14.343 1.00 18.68 ? 5 PRO B CA 1 ATOM 2255 C C . PRO B 2 5 ? -6.098 -14.584 -15.337 1.00 19.32 ? 5 PRO B C 1 ATOM 2256 O O . PRO B 2 5 ? -6.036 -14.325 -16.550 1.00 19.52 ? 5 PRO B O 1 ATOM 2257 C CB . PRO B 2 5 ? -6.694 -12.479 -14.219 1.00 18.24 ? 5 PRO B CB 1 ATOM 2258 C CG . PRO B 2 5 ? -6.196 -11.311 -14.936 1.00 20.08 ? 5 PRO B CG 1 ATOM 2259 C CD . PRO B 2 5 ? -4.672 -11.334 -14.892 1.00 17.20 ? 5 PRO B CD 1 ATOM 2260 N N . GLN B 2 6 ? -6.619 -15.706 -14.797 1.00 18.38 ? 6 GLN B N 1 ATOM 2261 C CA . GLN B 2 6 ? -7.316 -16.799 -15.553 1.00 17.99 ? 6 GLN B CA 1 ATOM 2262 C C . GLN B 2 6 ? -8.778 -16.560 -15.236 1.00 17.32 ? 6 GLN B C 1 ATOM 2263 O O . GLN B 2 6 ? -9.081 -16.175 -14.112 1.00 16.13 ? 6 GLN B O 1 ATOM 2264 C CB . GLN B 2 6 ? -6.873 -18.202 -15.064 1.00 18.37 ? 6 GLN B CB 1 ATOM 2265 C CG . GLN B 2 6 ? -7.777 -19.358 -15.464 1.00 31.32 ? 6 GLN B CG 1 ATOM 2266 C CD . GLN B 2 6 ? -7.156 -20.760 -15.230 1.00 40.42 ? 6 GLN B CD 1 ATOM 2267 O OE1 . GLN B 2 6 ? -6.047 -20.894 -14.700 1.00 44.61 ? 6 GLN B OE1 1 ATOM 2268 N NE2 . GLN B 2 6 ? -7.888 -21.794 -15.618 1.00 42.95 ? 6 GLN B NE2 1 ATOM 2269 N N . ILE B 2 7 ? -9.665 -16.773 -16.228 1.00 14.82 ? 7 ILE B N 1 ATOM 2270 C CA . ILE B 2 7 ? -11.088 -16.458 -16.045 1.00 15.01 ? 7 ILE B CA 1 ATOM 2271 C C . ILE B 2 7 ? -11.908 -17.663 -16.498 1.00 17.58 ? 7 ILE B C 1 ATOM 2272 O O . ILE B 2 7 ? -11.721 -18.140 -17.661 1.00 16.49 ? 7 ILE B O 1 ATOM 2273 C CB . ILE B 2 7 ? -11.515 -15.261 -16.941 1.00 14.37 ? 7 ILE B CB 1 ATOM 2274 C CG1 . ILE B 2 7 ? -10.645 -14.007 -16.599 1.00 16.93 ? 7 ILE B CG1 1 ATOM 2275 C CG2 . ILE B 2 7 ? -13.001 -14.949 -16.827 1.00 16.59 ? 7 ILE B CG2 1 ATOM 2276 C CD1 . ILE B 2 7 ? -10.663 -12.957 -17.713 1.00 23.02 ? 7 ILE B CD1 1 ATOM 2277 N N . GLN B 2 8 ? -12.762 -18.182 -15.607 1.00 14.44 ? 8 GLN B N 1 ATOM 2278 C CA . GLN B 2 8 ? -13.670 -19.304 -15.965 1.00 15.30 ? 8 GLN B CA 1 ATOM 2279 C C . GLN B 2 8 ? -15.079 -18.836 -15.698 1.00 15.26 ? 8 GLN B C 1 ATOM 2280 O O . GLN B 2 8 ? -15.367 -18.235 -14.620 1.00 16.63 ? 8 GLN B O 1 ATOM 2281 C CB . GLN B 2 8 ? -13.287 -20.601 -15.165 1.00 14.96 ? 8 GLN B CB 1 ATOM 2282 C CG . GLN B 2 8 ? -11.879 -21.084 -15.554 1.00 16.50 ? 8 GLN B CG 1 ATOM 2283 C CD . GLN B 2 8 ? -11.357 -22.151 -14.636 1.00 18.01 ? 8 GLN B CD 1 ATOM 2284 O OE1 . GLN B 2 8 ? -11.478 -23.325 -14.978 1.00 20.94 ? 8 GLN B OE1 1 ATOM 2285 N NE2 . GLN B 2 8 ? -10.792 -21.762 -13.461 1.00 19.54 ? 8 GLN B NE2 1 ATOM 2286 N N . VAL B 2 9 ? -15.991 -19.161 -16.604 1.00 14.20 ? 9 VAL B N 1 ATOM 2287 C CA . VAL B 2 9 ? -17.358 -18.732 -16.488 1.00 15.12 ? 9 VAL B CA 1 ATOM 2288 C C . VAL B 2 9 ? -18.275 -19.952 -16.596 1.00 15.39 ? 9 VAL B C 1 ATOM 2289 O O . VAL B 2 9 ? -18.182 -20.730 -17.574 1.00 16.09 ? 9 VAL B O 1 ATOM 2290 C CB . VAL B 2 9 ? -17.639 -17.725 -17.637 1.00 15.53 ? 9 VAL B CB 1 ATOM 2291 C CG1 . VAL B 2 9 ? -19.112 -17.175 -17.674 1.00 17.27 ? 9 VAL B CG1 1 ATOM 2292 C CG2 . VAL B 2 9 ? -16.576 -16.541 -17.661 1.00 15.82 ? 9 VAL B CG2 1 ATOM 2293 N N . TYR B 2 10 ? -19.186 -20.115 -15.636 1.00 13.90 ? 10 TYR B N 1 ATOM 2294 C CA . TYR B 2 10 ? -19.929 -21.377 -15.504 1.00 13.77 ? 10 TYR B CA 1 ATOM 2295 C C . TYR B 2 10 ? -21.210 -21.126 -14.765 1.00 15.03 ? 10 TYR B C 1 ATOM 2296 O O . TYR B 2 10 ? -21.319 -20.159 -14.047 1.00 15.34 ? 10 TYR B O 1 ATOM 2297 C CB . TYR B 2 10 ? -19.140 -22.518 -14.804 1.00 13.01 ? 10 TYR B CB 1 ATOM 2298 C CG . TYR B 2 10 ? -18.467 -22.067 -13.518 1.00 13.78 ? 10 TYR B CG 1 ATOM 2299 C CD1 . TYR B 2 10 ? -17.352 -21.223 -13.574 1.00 13.59 ? 10 TYR B CD1 1 ATOM 2300 C CD2 . TYR B 2 10 ? -18.953 -22.433 -12.277 1.00 14.19 ? 10 TYR B CD2 1 ATOM 2301 C CE1 . TYR B 2 10 ? -16.668 -20.798 -12.376 1.00 16.00 ? 10 TYR B CE1 1 ATOM 2302 C CE2 . TYR B 2 10 ? -18.287 -22.027 -11.082 1.00 10.51 ? 10 TYR B CE2 1 ATOM 2303 C CZ . TYR B 2 10 ? -17.183 -21.208 -11.152 1.00 12.28 ? 10 TYR B CZ 1 ATOM 2304 O OH . TYR B 2 10 ? -16.573 -20.820 -9.974 1.00 15.52 ? 10 TYR B OH 1 ATOM 2305 N N A SER B 2 11 ? -22.147 -22.054 -14.895 0.50 15.88 ? 11 SER B N 1 ATOM 2306 N N B SER B 2 11 ? -22.189 -22.009 -14.975 0.50 15.25 ? 11 SER B N 1 ATOM 2307 C CA A SER B 2 11 ? -23.467 -21.836 -14.325 0.50 15.86 ? 11 SER B CA 1 ATOM 2308 C CA B SER B 2 11 ? -23.505 -21.840 -14.338 0.50 14.21 ? 11 SER B CA 1 ATOM 2309 C C A SER B 2 11 ? -23.759 -22.706 -13.095 0.50 14.98 ? 11 SER B C 1 ATOM 2310 C C B SER B 2 11 ? -23.625 -22.617 -13.041 0.50 14.34 ? 11 SER B C 1 ATOM 2311 O O A SER B 2 11 ? -23.370 -23.866 -13.003 0.50 15.27 ? 11 SER B O 1 ATOM 2312 O O B SER B 2 11 ? -22.974 -23.626 -12.860 0.50 14.84 ? 11 SER B O 1 ATOM 2313 C CB A SER B 2 11 ? -24.530 -22.008 -15.408 0.50 16.87 ? 11 SER B CB 1 ATOM 2314 C CB B SER B 2 11 ? -24.637 -22.265 -15.272 0.50 15.36 ? 11 SER B CB 1 ATOM 2315 O OG A SER B 2 11 ? -24.503 -23.333 -15.872 0.50 19.97 ? 11 SER B OG 1 ATOM 2316 O OG B SER B 2 11 ? -24.470 -21.758 -16.563 0.50 10.44 ? 11 SER B OG 1 ATOM 2317 N N . ARG B 2 12 ? -24.471 -22.130 -12.132 1.00 14.35 ? 12 ARG B N 1 ATOM 2318 C CA . ARG B 2 12 ? -24.712 -22.800 -10.890 1.00 13.72 ? 12 ARG B CA 1 ATOM 2319 C C . ARG B 2 12 ? -25.622 -24.002 -11.107 1.00 12.78 ? 12 ARG B C 1 ATOM 2320 O O . ARG B 2 12 ? -25.411 -25.052 -10.478 1.00 13.94 ? 12 ARG B O 1 ATOM 2321 C CB . ARG B 2 12 ? -25.375 -21.847 -9.896 1.00 16.21 ? 12 ARG B CB 1 ATOM 2322 C CG . ARG B 2 12 ? -25.940 -22.572 -8.659 1.00 12.90 ? 12 ARG B CG 1 ATOM 2323 C CD . ARG B 2 12 ? -24.796 -23.186 -7.823 1.00 12.85 ? 12 ARG B CD 1 ATOM 2324 N NE . ARG B 2 12 ? -25.304 -23.773 -6.576 1.00 11.43 ? 12 ARG B NE 1 ATOM 2325 C CZ . ARG B 2 12 ? -25.890 -24.967 -6.509 1.00 13.14 ? 12 ARG B CZ 1 ATOM 2326 N NH1 . ARG B 2 12 ? -26.118 -25.669 -7.617 1.00 12.28 ? 12 ARG B NH1 1 ATOM 2327 N NH2 . ARG B 2 12 ? -26.348 -25.424 -5.389 1.00 13.30 ? 12 ARG B NH2 1 ATOM 2328 N N . HIS B 2 13 ? -26.614 -23.832 -12.003 1.00 11.96 ? 13 HIS B N 1 ATOM 2329 C CA . HIS B 2 13 ? -27.583 -24.912 -12.268 1.00 12.46 ? 13 HIS B CA 1 ATOM 2330 C C . HIS B 2 13 ? -27.500 -25.224 -13.765 1.00 13.16 ? 13 HIS B C 1 ATOM 2331 O O . HIS B 2 13 ? -26.976 -24.450 -14.567 1.00 15.25 ? 13 HIS B O 1 ATOM 2332 C CB . HIS B 2 13 ? -29.015 -24.415 -11.958 1.00 14.06 ? 13 HIS B CB 1 ATOM 2333 C CG . HIS B 2 13 ? -29.197 -23.924 -10.541 1.00 16.60 ? 13 HIS B CG 1 ATOM 2334 N ND1 . HIS B 2 13 ? -29.247 -24.782 -9.463 1.00 17.78 ? 13 HIS B ND1 1 ATOM 2335 C CD2 . HIS B 2 13 ? -29.370 -22.678 -10.036 1.00 18.17 ? 13 HIS B CD2 1 ATOM 2336 C CE1 . HIS B 2 13 ? -29.426 -24.092 -8.349 1.00 17.22 ? 13 HIS B CE1 1 ATOM 2337 N NE2 . HIS B 2 13 ? -29.490 -22.809 -8.666 1.00 17.61 ? 13 HIS B NE2 1 ATOM 2338 N N . PRO B 2 14 ? -28.075 -26.354 -14.184 1.00 14.92 ? 14 PRO B N 1 ATOM 2339 C CA . PRO B 2 14 ? -28.019 -26.650 -15.643 1.00 14.89 ? 14 PRO B CA 1 ATOM 2340 C C . PRO B 2 14 ? -28.579 -25.476 -16.438 1.00 17.03 ? 14 PRO B C 1 ATOM 2341 O O . PRO B 2 14 ? -29.663 -25.020 -16.109 1.00 14.99 ? 14 PRO B O 1 ATOM 2342 C CB . PRO B 2 14 ? -28.941 -27.847 -15.798 1.00 16.78 ? 14 PRO B CB 1 ATOM 2343 C CG . PRO B 2 14 ? -28.960 -28.526 -14.434 1.00 15.84 ? 14 PRO B CG 1 ATOM 2344 C CD . PRO B 2 14 ? -28.711 -27.403 -13.392 1.00 15.35 ? 14 PRO B CD 1 ATOM 2345 N N . PRO B 2 15 ? -27.852 -24.985 -17.465 1.00 18.17 ? 15 PRO B N 1 ATOM 2346 C CA . PRO B 2 15 ? -28.408 -23.808 -18.182 1.00 20.05 ? 15 PRO B CA 1 ATOM 2347 C C . PRO B 2 15 ? -29.526 -24.293 -19.085 1.00 23.32 ? 15 PRO B C 1 ATOM 2348 O O . PRO B 2 15 ? -29.345 -25.214 -19.929 1.00 27.13 ? 15 PRO B O 1 ATOM 2349 C CB . PRO B 2 15 ? -27.204 -23.199 -18.912 1.00 21.93 ? 15 PRO B CB 1 ATOM 2350 C CG . PRO B 2 15 ? -26.214 -24.354 -19.047 1.00 22.57 ? 15 PRO B CG 1 ATOM 2351 C CD . PRO B 2 15 ? -26.465 -25.280 -17.854 1.00 17.54 ? 15 PRO B CD 1 ATOM 2352 N N . GLU B 2 16 ? -30.714 -23.833 -18.773 1.00 21.42 ? 16 GLU B N 1 ATOM 2353 C CA . GLU B 2 16 ? -31.905 -24.162 -19.525 1.00 23.47 ? 16 GLU B CA 1 ATOM 2354 C C . GLU B 2 16 ? -32.526 -22.858 -20.028 1.00 22.72 ? 16 GLU B C 1 ATOM 2355 O O . GLU B 2 16 ? -32.711 -21.906 -19.274 1.00 22.69 ? 16 GLU B O 1 ATOM 2356 C CB . GLU B 2 16 ? -32.848 -24.960 -18.613 1.00 22.21 ? 16 GLU B CB 1 ATOM 2357 C CG . GLU B 2 16 ? -34.111 -25.390 -19.236 1.00 30.54 ? 16 GLU B CG 1 ATOM 2358 C CD . GLU B 2 16 ? -35.014 -26.159 -18.240 1.00 37.69 ? 16 GLU B CD 1 ATOM 2359 O OE1 . GLU B 2 16 ? -34.476 -26.697 -17.233 1.00 39.14 ? 16 GLU B OE1 1 ATOM 2360 O OE2 . GLU B 2 16 ? -36.249 -26.215 -18.476 1.00 40.27 ? 16 GLU B OE2 1 ATOM 2361 N N . ASN B 2 17 ? -32.824 -22.773 -21.331 1.00 22.42 ? 17 ASN B N 1 ATOM 2362 C CA . ASN B 2 17 ? -33.305 -21.473 -21.843 1.00 21.64 ? 17 ASN B CA 1 ATOM 2363 C C . ASN B 2 17 ? -34.584 -21.036 -21.125 1.00 20.80 ? 17 ASN B C 1 ATOM 2364 O O . ASN B 2 17 ? -35.537 -21.825 -20.942 1.00 19.39 ? 17 ASN B O 1 ATOM 2365 C CB . ASN B 2 17 ? -33.490 -21.512 -23.386 1.00 24.06 ? 17 ASN B CB 1 ATOM 2366 C CG . ASN B 2 17 ? -32.141 -21.510 -24.154 1.00 23.98 ? 17 ASN B CG 1 ATOM 2367 O OD1 . ASN B 2 17 ? -31.236 -20.699 -23.901 1.00 27.46 ? 17 ASN B OD1 1 ATOM 2368 N ND2 . ASN B 2 17 ? -32.056 -22.381 -25.165 1.00 31.39 ? 17 ASN B ND2 1 ATOM 2369 N N . GLY B 2 18 ? -34.652 -19.770 -20.743 1.00 20.14 ? 18 GLY B N 1 ATOM 2370 C CA . GLY B 2 18 ? -35.851 -19.220 -20.125 1.00 18.27 ? 18 GLY B CA 1 ATOM 2371 C C . GLY B 2 18 ? -35.920 -19.455 -18.628 1.00 19.54 ? 18 GLY B C 1 ATOM 2372 O O . GLY B 2 18 ? -36.865 -19.023 -17.987 1.00 19.10 ? 18 GLY B O 1 ATOM 2373 N N . LYS B 2 19 ? -34.952 -20.188 -18.066 1.00 19.02 ? 19 LYS B N 1 ATOM 2374 C CA . LYS B 2 19 ? -35.018 -20.575 -16.638 1.00 19.98 ? 19 LYS B CA 1 ATOM 2375 C C . LYS B 2 19 ? -34.006 -19.709 -15.822 1.00 19.15 ? 19 LYS B C 1 ATOM 2376 O O . LYS B 2 19 ? -32.825 -19.759 -16.124 1.00 18.37 ? 19 LYS B O 1 ATOM 2377 C CB . LYS B 2 19 ? -34.752 -22.087 -16.483 1.00 21.07 ? 19 LYS B CB 1 ATOM 2378 C CG . LYS B 2 19 ? -34.634 -22.586 -15.018 1.00 28.54 ? 19 LYS B CG 1 ATOM 2379 C CD . LYS B 2 19 ? -35.166 -24.037 -14.837 1.00 33.80 ? 19 LYS B CD 1 ATOM 2380 C CE . LYS B 2 19 ? -35.033 -24.512 -13.377 1.00 38.37 ? 19 LYS B CE 1 ATOM 2381 N NZ . LYS B 2 19 ? -35.814 -23.628 -12.425 1.00 41.01 ? 19 LYS B NZ 1 ATOM 2382 N N . PRO B 2 20 ? -34.480 -18.919 -14.826 1.00 18.79 ? 20 PRO B N 1 ATOM 2383 C CA . PRO B 2 20 ? -33.585 -18.140 -13.997 1.00 16.92 ? 20 PRO B CA 1 ATOM 2384 C C . PRO B 2 20 ? -32.495 -19.038 -13.397 1.00 15.60 ? 20 PRO B C 1 ATOM 2385 O O . PRO B 2 20 ? -32.820 -20.130 -12.884 1.00 15.52 ? 20 PRO B O 1 ATOM 2386 C CB . PRO B 2 20 ? -34.485 -17.635 -12.846 1.00 17.97 ? 20 PRO B CB 1 ATOM 2387 C CG . PRO B 2 20 ? -35.838 -17.557 -13.492 1.00 21.01 ? 20 PRO B CG 1 ATOM 2388 C CD . PRO B 2 20 ? -35.898 -18.751 -14.424 1.00 18.92 ? 20 PRO B CD 1 ATOM 2389 N N . ASN B 2 21 ? -31.279 -18.484 -13.301 1.00 13.55 ? 21 ASN B N 1 ATOM 2390 C CA . ASN B 2 21 ? -30.089 -19.281 -12.934 1.00 13.12 ? 21 ASN B CA 1 ATOM 2391 C C . ASN B 2 21 ? -29.067 -18.281 -12.352 1.00 13.37 ? 21 ASN B C 1 ATOM 2392 O O . ASN B 2 21 ? -29.408 -17.094 -12.117 1.00 13.62 ? 21 ASN B O 1 ATOM 2393 C CB . ASN B 2 21 ? -29.605 -19.972 -14.189 1.00 12.40 ? 21 ASN B CB 1 ATOM 2394 C CG . ASN B 2 21 ? -28.666 -21.181 -13.930 1.00 12.45 ? 21 ASN B CG 1 ATOM 2395 O OD1 . ASN B 2 21 ? -27.928 -21.257 -12.977 1.00 13.54 ? 21 ASN B OD1 1 ATOM 2396 N ND2 . ASN B 2 21 ? -28.689 -22.109 -14.906 1.00 13.77 ? 21 ASN B ND2 1 ATOM 2397 N N . ILE B 2 22 ? -27.862 -18.753 -12.083 1.00 12.91 ? 22 ILE B N 1 ATOM 2398 C CA . ILE B 2 22 ? -26.774 -17.920 -11.583 1.00 12.82 ? 22 ILE B CA 1 ATOM 2399 C C . ILE B 2 22 ? -25.570 -18.156 -12.392 1.00 13.62 ? 22 ILE B C 1 ATOM 2400 O O . ILE B 2 22 ? -25.199 -19.323 -12.576 1.00 13.99 ? 22 ILE B O 1 ATOM 2401 C CB . ILE B 2 22 ? -26.524 -18.145 -10.024 1.00 13.33 ? 22 ILE B CB 1 ATOM 2402 C CG1 . ILE B 2 22 ? -27.766 -17.679 -9.246 1.00 18.31 ? 22 ILE B CG1 1 ATOM 2403 C CG2 . ILE B 2 22 ? -25.235 -17.371 -9.553 1.00 13.00 ? 22 ILE B CG2 1 ATOM 2404 C CD1 . ILE B 2 22 ? -27.723 -18.068 -7.779 1.00 22.90 ? 22 ILE B CD1 1 ATOM 2405 N N . LEU B 2 23 ? -24.943 -17.072 -12.870 1.00 12.14 ? 23 LEU B N 1 ATOM 2406 C CA . LEU B 2 23 ? -23.706 -17.246 -13.705 1.00 11.86 ? 23 LEU B CA 1 ATOM 2407 C C . LEU B 2 23 ? -22.556 -16.832 -12.807 1.00 14.13 ? 23 LEU B C 1 ATOM 2408 O O . LEU B 2 23 ? -22.588 -15.728 -12.209 1.00 13.62 ? 23 LEU B O 1 ATOM 2409 C CB . LEU B 2 23 ? -23.758 -16.393 -14.992 1.00 13.30 ? 23 LEU B CB 1 ATOM 2410 C CG . LEU B 2 23 ? -22.629 -16.697 -16.051 1.00 14.88 ? 23 LEU B CG 1 ATOM 2411 C CD1 . LEU B 2 23 ? -22.727 -18.164 -16.610 1.00 15.94 ? 23 LEU B CD1 1 ATOM 2412 C CD2 . LEU B 2 23 ? -22.619 -15.665 -17.252 1.00 17.60 ? 23 LEU B CD2 1 ATOM 2413 N N . ASN B 2 24 ? -21.527 -17.697 -12.717 1.00 11.94 ? 24 ASN B N 1 ATOM 2414 C CA . ASN B 2 24 ? -20.272 -17.381 -11.997 1.00 13.19 ? 24 ASN B CA 1 ATOM 2415 C C . ASN B 2 24 ? -19.110 -16.982 -12.918 1.00 15.00 ? 24 ASN B C 1 ATOM 2416 O O . ASN B 2 24 ? -18.989 -17.526 -14.034 1.00 13.93 ? 24 ASN B O 1 ATOM 2417 C CB . ASN B 2 24 ? -19.839 -18.652 -11.226 1.00 13.19 ? 24 ASN B CB 1 ATOM 2418 C CG . ASN B 2 24 ? -20.923 -19.130 -10.277 1.00 15.06 ? 24 ASN B CG 1 ATOM 2419 O OD1 . ASN B 2 24 ? -21.528 -18.335 -9.545 1.00 16.97 ? 24 ASN B OD1 1 ATOM 2420 N ND2 . ASN B 2 24 ? -21.116 -20.485 -10.215 1.00 16.84 ? 24 ASN B ND2 1 ATOM 2421 N N . CYS B 2 25 ? -18.241 -16.063 -12.459 1.00 14.43 ? 25 CYS B N 1 ATOM 2422 C CA . CYS B 2 25 ? -16.983 -15.752 -13.154 1.00 14.73 ? 25 CYS B CA 1 ATOM 2423 C C . CYS B 2 25 ? -15.955 -15.882 -12.033 1.00 15.85 ? 25 CYS B C 1 ATOM 2424 O O . CYS B 2 25 ? -15.952 -15.107 -11.089 1.00 14.97 ? 25 CYS B O 1 ATOM 2425 C CB . CYS B 2 25 ? -17.023 -14.321 -13.641 1.00 15.72 ? 25 CYS B CB 1 ATOM 2426 S SG . CYS B 2 25 ? -15.456 -13.954 -14.355 1.00 18.27 ? 25 CYS B SG 1 ATOM 2427 N N . TYR B 2 26 ? -15.142 -16.913 -12.124 1.00 16.95 ? 26 TYR B N 1 ATOM 2428 C CA . TYR B 2 26 ? -14.092 -17.179 -11.139 1.00 14.43 ? 26 TYR B CA 1 ATOM 2429 C C . TYR B 2 26 ? -12.771 -16.698 -11.752 1.00 15.00 ? 26 TYR B C 1 ATOM 2430 O O . TYR B 2 26 ? -12.314 -17.182 -12.826 1.00 14.72 ? 26 TYR B O 1 ATOM 2431 C CB . TYR B 2 26 ? -14.075 -18.710 -10.891 1.00 13.14 ? 26 TYR B CB 1 ATOM 2432 C CG . TYR B 2 26 ? -13.122 -19.167 -9.783 1.00 15.12 ? 26 TYR B CG 1 ATOM 2433 C CD1 . TYR B 2 26 ? -13.143 -18.525 -8.551 1.00 16.53 ? 26 TYR B CD1 1 ATOM 2434 C CD2 . TYR B 2 26 ? -12.312 -20.330 -9.955 1.00 18.39 ? 26 TYR B CD2 1 ATOM 2435 C CE1 . TYR B 2 26 ? -12.308 -18.939 -7.496 1.00 20.10 ? 26 TYR B CE1 1 ATOM 2436 C CE2 . TYR B 2 26 ? -11.529 -20.746 -8.910 1.00 19.84 ? 26 TYR B CE2 1 ATOM 2437 C CZ . TYR B 2 26 ? -11.538 -20.056 -7.702 1.00 19.74 ? 26 TYR B CZ 1 ATOM 2438 O OH . TYR B 2 26 ? -10.695 -20.505 -6.682 1.00 27.35 ? 26 TYR B OH 1 ATOM 2439 N N . VAL B 2 27 ? -12.104 -15.786 -11.048 1.00 14.34 ? 27 VAL B N 1 ATOM 2440 C CA . VAL B 2 27 ? -10.897 -15.199 -11.545 1.00 12.94 ? 27 VAL B CA 1 ATOM 2441 C C . VAL B 2 27 ? -9.773 -15.574 -10.627 1.00 13.81 ? 27 VAL B C 1 ATOM 2442 O O . VAL B 2 27 ? -9.855 -15.365 -9.428 1.00 14.40 ? 27 VAL B O 1 ATOM 2443 C CB . VAL B 2 27 ? -11.044 -13.681 -11.617 1.00 11.74 ? 27 VAL B CB 1 ATOM 2444 C CG1 . VAL B 2 27 ? -9.760 -13.039 -12.328 1.00 12.81 ? 27 VAL B CG1 1 ATOM 2445 C CG2 . VAL B 2 27 ? -12.308 -13.373 -12.492 1.00 13.59 ? 27 VAL B CG2 1 ATOM 2446 N N . THR B 2 28 ? -8.719 -16.148 -11.194 1.00 15.52 ? 28 THR B N 1 ATOM 2447 C CA . THR B 2 28 ? -7.647 -16.752 -10.358 1.00 15.04 ? 28 THR B CA 1 ATOM 2448 C C . THR B 2 28 ? -6.253 -16.400 -10.887 1.00 17.30 ? 28 THR B C 1 ATOM 2449 O O . THR B 2 28 ? -6.108 -15.871 -12.020 1.00 15.89 ? 28 THR B O 1 ATOM 2450 C CB . THR B 2 28 ? -7.756 -18.296 -10.346 1.00 15.39 ? 28 THR B CB 1 ATOM 2451 O OG1 . THR B 2 28 ? -7.676 -18.799 -11.693 1.00 16.12 ? 28 THR B OG1 1 ATOM 2452 C CG2 . THR B 2 28 ? -9.087 -18.770 -9.779 1.00 16.52 ? 28 THR B CG2 1 ATOM 2453 N N . GLN B 2 29 ? -5.263 -16.714 -10.047 1.00 16.72 ? 29 GLN B N 1 ATOM 2454 C CA . GLN B 2 29 ? -3.852 -16.779 -10.403 1.00 17.94 ? 29 GLN B CA 1 ATOM 2455 C C . GLN B 2 29 ? -3.277 -15.431 -10.715 1.00 18.12 ? 29 GLN B C 1 ATOM 2456 O O . GLN B 2 29 ? -2.288 -15.371 -11.478 1.00 21.20 ? 29 GLN B O 1 ATOM 2457 C CB . GLN B 2 29 ? -3.650 -17.716 -11.629 1.00 18.62 ? 29 GLN B CB 1 ATOM 2458 C CG . GLN B 2 29 ? -3.877 -19.191 -11.248 1.00 20.79 ? 29 GLN B CG 1 ATOM 2459 C CD . GLN B 2 29 ? -2.758 -19.625 -10.337 1.00 30.50 ? 29 GLN B CD 1 ATOM 2460 O OE1 . GLN B 2 29 ? -1.617 -19.097 -10.440 1.00 35.07 ? 29 GLN B OE1 1 ATOM 2461 N NE2 . GLN B 2 29 ? -3.039 -20.567 -9.430 1.00 31.99 ? 29 GLN B NE2 1 ATOM 2462 N N . PHE B 2 30 ? -3.831 -14.356 -10.181 1.00 15.47 ? 30 PHE B N 1 ATOM 2463 C CA . PHE B 2 30 ? -3.312 -13.028 -10.484 1.00 14.81 ? 30 PHE B CA 1 ATOM 2464 C C . PHE B 2 30 ? -2.534 -12.386 -9.337 1.00 15.83 ? 30 PHE B C 1 ATOM 2465 O O . PHE B 2 30 ? -2.714 -12.761 -8.175 1.00 15.48 ? 30 PHE B O 1 ATOM 2466 C CB . PHE B 2 30 ? -4.396 -12.031 -10.945 1.00 16.35 ? 30 PHE B CB 1 ATOM 2467 C CG . PHE B 2 30 ? -5.560 -11.836 -9.942 1.00 13.87 ? 30 PHE B CG 1 ATOM 2468 C CD1 . PHE B 2 30 ? -6.641 -12.718 -9.985 1.00 13.14 ? 30 PHE B CD1 1 ATOM 2469 C CD2 . PHE B 2 30 ? -5.558 -10.798 -9.025 1.00 15.71 ? 30 PHE B CD2 1 ATOM 2470 C CE1 . PHE B 2 30 ? -7.677 -12.576 -9.085 1.00 14.34 ? 30 PHE B CE1 1 ATOM 2471 C CE2 . PHE B 2 30 ? -6.572 -10.626 -8.173 1.00 12.89 ? 30 PHE B CE2 1 ATOM 2472 C CZ . PHE B 2 30 ? -7.670 -11.446 -8.215 1.00 16.10 ? 30 PHE B CZ 1 ATOM 2473 N N . HIS B 2 31 ? -1.664 -11.446 -9.705 1.00 15.08 ? 31 HIS B N 1 ATOM 2474 C CA . HIS B 2 31 ? -0.900 -10.631 -8.756 1.00 16.82 ? 31 HIS B CA 1 ATOM 2475 C C . HIS B 2 31 ? -0.409 -9.410 -9.509 1.00 16.43 ? 31 HIS B C 1 ATOM 2476 O O . HIS B 2 31 ? 0.113 -9.581 -10.606 1.00 17.13 ? 31 HIS B O 1 ATOM 2477 C CB . HIS B 2 31 ? 0.357 -11.382 -8.253 1.00 17.23 ? 31 HIS B CB 1 ATOM 2478 C CG . HIS B 2 31 ? 1.122 -10.611 -7.184 1.00 19.47 ? 31 HIS B CG 1 ATOM 2479 N ND1 . HIS B 2 31 ? 0.881 -10.806 -5.847 1.00 20.69 ? 31 HIS B ND1 1 ATOM 2480 C CD2 . HIS B 2 31 ? 2.101 -9.671 -7.252 1.00 22.14 ? 31 HIS B CD2 1 ATOM 2481 C CE1 . HIS B 2 31 ? 1.629 -10.021 -5.118 1.00 14.02 ? 31 HIS B CE1 1 ATOM 2482 N NE2 . HIS B 2 31 ? 2.405 -9.316 -5.951 1.00 27.11 ? 31 HIS B NE2 1 ATOM 2483 N N . PRO B 2 32 ? -0.543 -8.181 -8.932 1.00 17.36 ? 32 PRO B N 1 ATOM 2484 C CA . PRO B 2 32 ? -1.017 -7.874 -7.575 1.00 17.29 ? 32 PRO B CA 1 ATOM 2485 C C . PRO B 2 32 ? -2.535 -7.966 -7.414 1.00 16.55 ? 32 PRO B C 1 ATOM 2486 O O . PRO B 2 32 ? -3.283 -8.249 -8.399 1.00 16.49 ? 32 PRO B O 1 ATOM 2487 C CB . PRO B 2 32 ? -0.487 -6.460 -7.313 1.00 17.20 ? 32 PRO B CB 1 ATOM 2488 C CG . PRO B 2 32 ? -0.663 -5.791 -8.746 1.00 19.09 ? 32 PRO B CG 1 ATOM 2489 C CD . PRO B 2 32 ? -0.222 -6.966 -9.701 1.00 18.04 ? 32 PRO B CD 1 ATOM 2490 N N . PRO B 2 33 ? -3.027 -7.771 -6.191 1.00 16.99 ? 33 PRO B N 1 ATOM 2491 C CA . PRO B 2 33 ? -4.455 -8.064 -5.980 1.00 16.40 ? 33 PRO B CA 1 ATOM 2492 C C . PRO B 2 33 ? -5.489 -7.065 -6.573 1.00 16.40 ? 33 PRO B C 1 ATOM 2493 O O . PRO B 2 33 ? -6.671 -7.421 -6.835 1.00 19.05 ? 33 PRO B O 1 ATOM 2494 C CB . PRO B 2 33 ? -4.560 -8.257 -4.473 1.00 14.44 ? 33 PRO B CB 1 ATOM 2495 C CG . PRO B 2 33 ? -3.406 -7.356 -3.968 1.00 18.00 ? 33 PRO B CG 1 ATOM 2496 C CD . PRO B 2 33 ? -2.293 -7.613 -4.925 1.00 16.31 ? 33 PRO B CD 1 ATOM 2497 N N . HIS B 2 34 ? -5.027 -5.892 -6.933 1.00 18.06 ? 34 HIS B N 1 ATOM 2498 C CA . HIS B 2 34 ? -5.950 -4.904 -7.453 1.00 18.11 ? 34 HIS B CA 1 ATOM 2499 C C . HIS B 2 34 ? -6.491 -5.331 -8.817 1.00 16.10 ? 34 HIS B C 1 ATOM 2500 O O . HIS B 2 34 ? -5.708 -5.648 -9.702 1.00 16.18 ? 34 HIS B O 1 ATOM 2501 C CB . HIS B 2 34 ? -5.270 -3.536 -7.585 1.00 19.14 ? 34 HIS B CB 1 ATOM 2502 C CG . HIS B 2 34 ? -6.259 -2.485 -7.990 1.00 25.48 ? 34 HIS B CG 1 ATOM 2503 N ND1 . HIS B 2 34 ? -6.360 -2.004 -9.281 1.00 34.38 ? 34 HIS B ND1 1 ATOM 2504 C CD2 . HIS B 2 34 ? -7.307 -1.958 -7.309 1.00 32.28 ? 34 HIS B CD2 1 ATOM 2505 C CE1 . HIS B 2 34 ? -7.382 -1.167 -9.357 1.00 37.12 ? 34 HIS B CE1 1 ATOM 2506 N NE2 . HIS B 2 34 ? -7.971 -1.118 -8.172 1.00 36.40 ? 34 HIS B NE2 1 ATOM 2507 N N . ILE B 2 35 ? -7.818 -5.372 -8.977 1.00 15.85 ? 35 ILE B N 1 ATOM 2508 C CA . ILE B 2 35 ? -8.364 -5.873 -10.242 1.00 16.07 ? 35 ILE B CA 1 ATOM 2509 C C . ILE B 2 35 ? -9.759 -5.311 -10.440 1.00 17.12 ? 35 ILE B C 1 ATOM 2510 O O . ILE B 2 35 ? -10.426 -4.935 -9.468 1.00 16.84 ? 35 ILE B O 1 ATOM 2511 C CB . ILE B 2 35 ? -8.421 -7.454 -10.175 1.00 14.55 ? 35 ILE B CB 1 ATOM 2512 C CG1 . ILE B 2 35 ? -8.639 -8.073 -11.590 1.00 15.87 ? 35 ILE B CG1 1 ATOM 2513 C CG2 . ILE B 2 35 ? -9.500 -8.000 -9.232 1.00 15.38 ? 35 ILE B CG2 1 ATOM 2514 C CD1 . ILE B 2 35 ? -8.156 -9.556 -11.501 1.00 19.19 ? 35 ILE B CD1 1 ATOM 2515 N N A GLU B 2 36 ? -10.218 -5.227 -11.690 0.50 17.57 ? 36 GLU B N 1 ATOM 2516 N N B GLU B 2 36 ? -10.207 -5.225 -11.693 0.50 17.33 ? 36 GLU B N 1 ATOM 2517 C CA A GLU B 2 36 ? -11.560 -4.745 -11.938 0.50 17.91 ? 36 GLU B CA 1 ATOM 2518 C CA B GLU B 2 36 ? -11.543 -4.748 -11.958 0.50 17.36 ? 36 GLU B CA 1 ATOM 2519 C C A GLU B 2 36 ? -12.270 -5.823 -12.759 0.50 17.39 ? 36 GLU B C 1 ATOM 2520 C C B GLU B 2 36 ? -12.222 -5.898 -12.718 0.50 17.07 ? 36 GLU B C 1 ATOM 2521 O O A GLU B 2 36 ? -11.793 -6.222 -13.814 0.50 17.26 ? 36 GLU B O 1 ATOM 2522 O O B GLU B 2 36 ? -11.651 -6.455 -13.661 0.50 17.08 ? 36 GLU B O 1 ATOM 2523 C CB A GLU B 2 36 ? -11.531 -3.416 -12.703 0.50 18.90 ? 36 GLU B CB 1 ATOM 2524 C CB B GLU B 2 36 ? -11.491 -3.424 -12.756 0.50 18.29 ? 36 GLU B CB 1 ATOM 2525 C CG A GLU B 2 36 ? -12.882 -2.990 -13.223 0.50 22.45 ? 36 GLU B CG 1 ATOM 2526 C CG B GLU B 2 36 ? -10.674 -2.367 -12.018 0.50 19.35 ? 36 GLU B CG 1 ATOM 2527 C CD A GLU B 2 36 ? -12.835 -1.579 -13.816 0.50 25.23 ? 36 GLU B CD 1 ATOM 2528 C CD B GLU B 2 36 ? -10.562 -1.004 -12.746 0.50 26.37 ? 36 GLU B CD 1 ATOM 2529 O OE1 A GLU B 2 36 ? -13.896 -0.935 -13.900 0.50 26.93 ? 36 GLU B OE1 1 ATOM 2530 O OE1 B GLU B 2 36 ? -9.793 -0.883 -13.725 0.50 27.42 ? 36 GLU B OE1 1 ATOM 2531 O OE2 A GLU B 2 36 ? -11.727 -1.117 -14.181 0.50 26.61 ? 36 GLU B OE2 1 ATOM 2532 O OE2 B GLU B 2 36 ? -11.209 -0.030 -12.306 0.50 28.48 ? 36 GLU B OE2 1 ATOM 2533 N N . ILE B 2 37 ? -13.404 -6.279 -12.264 1.00 16.11 ? 37 ILE B N 1 ATOM 2534 C CA . ILE B 2 37 ? -14.127 -7.380 -12.925 1.00 17.26 ? 37 ILE B CA 1 ATOM 2535 C C . ILE B 2 37 ? -15.561 -6.920 -13.235 1.00 18.18 ? 37 ILE B C 1 ATOM 2536 O O . ILE B 2 37 ? -16.262 -6.402 -12.334 1.00 18.97 ? 37 ILE B O 1 ATOM 2537 C CB . ILE B 2 37 ? -14.235 -8.552 -11.973 1.00 18.71 ? 37 ILE B CB 1 ATOM 2538 C CG1 . ILE B 2 37 ? -12.890 -9.138 -11.632 1.00 16.80 ? 37 ILE B CG1 1 ATOM 2539 C CG2 . ILE B 2 37 ? -15.059 -9.713 -12.600 1.00 20.05 ? 37 ILE B CG2 1 ATOM 2540 C CD1 . ILE B 2 37 ? -12.929 -10.023 -10.460 1.00 19.29 ? 37 ILE B CD1 1 ATOM 2541 N N . GLN B 2 38 ? -16.018 -7.158 -14.449 1.00 17.33 ? 38 GLN B N 1 ATOM 2542 C CA . GLN B 2 38 ? -17.393 -6.820 -14.848 1.00 18.32 ? 38 GLN B CA 1 ATOM 2543 C C . GLN B 2 38 ? -17.990 -8.078 -15.483 1.00 17.83 ? 38 GLN B C 1 ATOM 2544 O O . GLN B 2 38 ? -17.275 -8.867 -16.129 1.00 19.35 ? 38 GLN B O 1 ATOM 2545 C CB . GLN B 2 38 ? -17.384 -5.682 -15.906 1.00 19.63 ? 38 GLN B CB 1 ATOM 2546 C CG . GLN B 2 38 ? -16.903 -4.283 -15.432 1.00 23.86 ? 38 GLN B CG 1 ATOM 2547 C CD . GLN B 2 38 ? -16.853 -3.278 -16.598 1.00 30.95 ? 38 GLN B CD 1 ATOM 2548 O OE1 . GLN B 2 38 ? -17.283 -3.588 -17.716 1.00 33.43 ? 38 GLN B OE1 1 ATOM 2549 N NE2 . GLN B 2 38 ? -16.326 -2.064 -16.347 1.00 30.51 ? 38 GLN B NE2 1 ATOM 2550 N N . MET B 2 39 ? -19.270 -8.310 -15.266 1.00 16.89 ? 39 MET B N 1 ATOM 2551 C CA . MET B 2 39 ? -19.958 -9.343 -16.079 1.00 15.93 ? 39 MET B CA 1 ATOM 2552 C C . MET B 2 39 ? -20.836 -8.647 -17.105 1.00 16.43 ? 39 MET B C 1 ATOM 2553 O O . MET B 2 39 ? -21.330 -7.524 -16.840 1.00 16.69 ? 39 MET B O 1 ATOM 2554 C CB . MET B 2 39 ? -20.740 -10.319 -15.156 1.00 15.83 ? 39 MET B CB 1 ATOM 2555 C CG . MET B 2 39 ? -19.788 -10.991 -14.187 1.00 16.46 ? 39 MET B CG 1 ATOM 2556 S SD . MET B 2 39 ? -20.605 -12.221 -13.169 1.00 18.85 ? 39 MET B SD 1 ATOM 2557 C CE . MET B 2 39 ? -20.957 -13.548 -14.349 1.00 19.41 ? 39 MET B CE 1 ATOM 2558 N N . LEU B 2 40 ? -20.931 -9.225 -18.334 1.00 16.72 ? 40 LEU B N 1 ATOM 2559 C CA . LEU B 2 40 ? -21.508 -8.526 -19.457 1.00 14.53 ? 40 LEU B CA 1 ATOM 2560 C C . LEU B 2 40 ? -22.666 -9.338 -19.969 1.00 15.10 ? 40 LEU B C 1 ATOM 2561 O O . LEU B 2 40 ? -22.593 -10.589 -19.964 1.00 16.40 ? 40 LEU B O 1 ATOM 2562 C CB . LEU B 2 40 ? -20.537 -8.426 -20.636 1.00 15.78 ? 40 LEU B CB 1 ATOM 2563 C CG . LEU B 2 40 ? -19.149 -7.838 -20.303 1.00 17.02 ? 40 LEU B CG 1 ATOM 2564 C CD1 . LEU B 2 40 ? -18.326 -7.565 -21.617 1.00 15.16 ? 40 LEU B CD1 1 ATOM 2565 C CD2 . LEU B 2 40 ? -19.422 -6.483 -19.638 1.00 19.28 ? 40 LEU B CD2 1 ATOM 2566 N N . LYS B 2 41 ? -23.753 -8.644 -20.348 1.00 16.69 ? 41 LYS B N 1 ATOM 2567 C CA . LYS B 2 41 ? -24.889 -9.292 -21.028 1.00 16.88 ? 41 LYS B CA 1 ATOM 2568 C C . LYS B 2 41 ? -25.028 -8.538 -22.378 1.00 16.08 ? 41 LYS B C 1 ATOM 2569 O O . LYS B 2 41 ? -25.208 -7.308 -22.419 1.00 15.69 ? 41 LYS B O 1 ATOM 2570 C CB . LYS B 2 41 ? -26.199 -9.163 -20.263 1.00 16.91 ? 41 LYS B CB 1 ATOM 2571 C CG . LYS B 2 41 ? -27.365 -9.811 -20.997 1.00 18.04 ? 41 LYS B CG 1 ATOM 2572 C CD . LYS B 2 41 ? -28.647 -9.682 -20.187 1.00 21.20 ? 41 LYS B CD 1 ATOM 2573 C CE . LYS B 2 41 ? -29.863 -10.110 -21.052 1.00 28.94 ? 41 LYS B CE 1 ATOM 2574 N NZ . LYS B 2 41 ? -31.126 -10.066 -20.271 1.00 32.38 ? 41 LYS B NZ 1 ATOM 2575 N N . ASN B 2 42 ? -24.887 -9.266 -23.484 1.00 15.28 ? 42 ASN B N 1 ATOM 2576 C CA . ASN B 2 42 ? -24.805 -8.641 -24.811 1.00 16.42 ? 42 ASN B CA 1 ATOM 2577 C C . ASN B 2 42 ? -23.796 -7.476 -24.877 1.00 16.72 ? 42 ASN B C 1 ATOM 2578 O O . ASN B 2 42 ? -24.047 -6.426 -25.481 1.00 18.85 ? 42 ASN B O 1 ATOM 2579 C CB . ASN B 2 42 ? -26.207 -8.264 -25.293 1.00 16.28 ? 42 ASN B CB 1 ATOM 2580 C CG . ASN B 2 42 ? -27.138 -9.441 -25.249 1.00 18.83 ? 42 ASN B CG 1 ATOM 2581 O OD1 . ASN B 2 42 ? -26.790 -10.540 -25.728 1.00 17.94 ? 42 ASN B OD1 1 ATOM 2582 N ND2 . ASN B 2 42 ? -28.314 -9.258 -24.632 1.00 18.15 ? 42 ASN B ND2 1 ATOM 2583 N N . GLY B 2 43 ? -22.659 -7.684 -24.258 1.00 18.81 ? 43 GLY B N 1 ATOM 2584 C CA . GLY B 2 43 ? -21.519 -6.749 -24.325 1.00 18.81 ? 43 GLY B CA 1 ATOM 2585 C C . GLY B 2 43 ? -21.657 -5.533 -23.424 1.00 21.22 ? 43 GLY B C 1 ATOM 2586 O O . GLY B 2 43 ? -20.748 -4.670 -23.376 1.00 20.38 ? 43 GLY B O 1 ATOM 2587 N N . LYS B 2 44 ? -22.727 -5.501 -22.623 1.00 18.57 ? 44 LYS B N 1 ATOM 2588 C CA . LYS B 2 44 ? -22.940 -4.359 -21.721 1.00 19.48 ? 44 LYS B CA 1 ATOM 2589 C C . LYS B 2 44 ? -22.867 -4.817 -20.246 1.00 18.35 ? 44 LYS B C 1 ATOM 2590 O O . LYS B 2 44 ? -23.327 -5.932 -19.888 1.00 18.49 ? 44 LYS B O 1 ATOM 2591 C CB . LYS B 2 44 ? -24.287 -3.771 -21.987 1.00 20.46 ? 44 LYS B CB 1 ATOM 2592 C CG . LYS B 2 44 ? -24.350 -3.133 -23.395 1.00 25.63 ? 44 LYS B CG 1 ATOM 2593 C CD . LYS B 2 44 ? -25.698 -2.484 -23.678 1.00 34.61 ? 44 LYS B CD 1 ATOM 2594 C CE . LYS B 2 44 ? -25.895 -2.330 -25.176 1.00 36.24 ? 44 LYS B CE 1 ATOM 2595 N NZ . LYS B 2 44 ? -24.658 -1.741 -25.804 1.00 38.47 ? 44 LYS B NZ 1 ATOM 2596 N N . LYS B 2 45 ? -22.315 -3.942 -19.414 1.00 18.86 ? 45 LYS B N 1 ATOM 2597 C CA . LYS B 2 45 ? -22.092 -4.178 -17.972 1.00 19.22 ? 45 LYS B CA 1 ATOM 2598 C C . LYS B 2 45 ? -23.376 -4.486 -17.252 1.00 19.16 ? 45 LYS B C 1 ATOM 2599 O O . LYS B 2 45 ? -24.378 -3.757 -17.348 1.00 19.33 ? 45 LYS B O 1 ATOM 2600 C CB . LYS B 2 45 ? -21.472 -2.941 -17.302 1.00 19.64 ? 45 LYS B CB 1 ATOM 2601 C CG . LYS B 2 45 ? -21.143 -3.165 -15.808 1.00 24.12 ? 45 LYS B CG 1 ATOM 2602 C CD . LYS B 2 45 ? -20.577 -1.797 -15.236 1.00 29.96 ? 45 LYS B CD 1 ATOM 2603 C CE . LYS B 2 45 ? -20.155 -1.965 -13.800 1.00 35.14 ? 45 LYS B CE 1 ATOM 2604 N NZ . LYS B 2 45 ? -21.382 -2.315 -13.070 1.00 39.54 ? 45 LYS B NZ 1 ATOM 2605 N N . ILE B 2 46 ? -23.371 -5.598 -16.547 1.00 17.52 ? 46 ILE B N 1 ATOM 2606 C CA . ILE B 2 46 ? -24.503 -6.007 -15.731 1.00 17.32 ? 46 ILE B CA 1 ATOM 2607 C C . ILE B 2 46 ? -24.339 -5.296 -14.398 1.00 19.41 ? 46 ILE B C 1 ATOM 2608 O O . ILE B 2 46 ? -23.277 -5.345 -13.768 1.00 18.45 ? 46 ILE B O 1 ATOM 2609 C CB . ILE B 2 46 ? -24.511 -7.546 -15.511 1.00 17.76 ? 46 ILE B CB 1 ATOM 2610 C CG1 . ILE B 2 46 ? -24.770 -8.316 -16.826 1.00 14.91 ? 46 ILE B CG1 1 ATOM 2611 C CG2 . ILE B 2 46 ? -25.652 -7.949 -14.473 1.00 17.77 ? 46 ILE B CG2 1 ATOM 2612 C CD1 . ILE B 2 46 ? -24.484 -9.866 -16.717 1.00 13.18 ? 46 ILE B CD1 1 ATOM 2613 N N . PRO B 2 47 ? -25.402 -4.620 -13.941 1.00 22.58 ? 47 PRO B N 1 ATOM 2614 C CA . PRO B 2 47 ? -25.268 -3.775 -12.734 1.00 24.72 ? 47 PRO B CA 1 ATOM 2615 C C . PRO B 2 47 ? -25.191 -4.534 -11.411 1.00 25.42 ? 47 PRO B C 1 ATOM 2616 O O . PRO B 2 47 ? -24.403 -4.110 -10.558 1.00 27.82 ? 47 PRO B O 1 ATOM 2617 C CB . PRO B 2 47 ? -26.545 -2.907 -12.749 1.00 24.66 ? 47 PRO B CB 1 ATOM 2618 C CG . PRO B 2 47 ? -27.532 -3.698 -13.549 1.00 26.59 ? 47 PRO B CG 1 ATOM 2619 C CD . PRO B 2 47 ? -26.751 -4.540 -14.553 1.00 23.74 ? 47 PRO B CD 1 ATOM 2620 N N . LYS B 2 48 ? -25.941 -5.594 -11.127 1.00 25.42 ? 48 LYS B N 1 ATOM 2621 C CA . LYS B 2 48 ? -25.855 -5.895 -9.634 1.00 26.98 ? 48 LYS B CA 1 ATOM 2622 C C . LYS B 2 48 ? -24.803 -6.920 -9.147 1.00 26.64 ? 48 LYS B C 1 ATOM 2623 O O . LYS B 2 48 ? -24.954 -7.470 -8.062 1.00 28.93 ? 48 LYS B O 1 ATOM 2624 C CB . LYS B 2 48 ? -27.192 -6.235 -8.955 1.00 27.52 ? 48 LYS B CB 1 ATOM 2625 C CG . LYS B 2 48 ? -27.973 -4.997 -8.455 1.00 33.74 ? 48 LYS B CG 1 ATOM 2626 C CD . LYS B 2 48 ? -29.141 -4.692 -9.409 1.00 40.54 ? 48 LYS B CD 1 ATOM 2627 C CE . LYS B 2 48 ? -29.511 -3.209 -9.414 1.00 43.17 ? 48 LYS B CE 1 ATOM 2628 N NZ . LYS B 2 48 ? -30.469 -2.900 -10.539 1.00 45.42 ? 48 LYS B NZ 1 ATOM 2629 N N . VAL B 2 49 ? -23.756 -7.150 -9.923 1.00 24.01 ? 49 VAL B N 1 ATOM 2630 C CA . VAL B 2 49 ? -22.889 -8.339 -9.707 1.00 20.00 ? 49 VAL B CA 1 ATOM 2631 C C . VAL B 2 49 ? -22.370 -8.419 -8.266 1.00 21.26 ? 49 VAL B C 1 ATOM 2632 O O . VAL B 2 49 ? -21.858 -7.423 -7.741 1.00 21.22 ? 49 VAL B O 1 ATOM 2633 C CB . VAL B 2 49 ? -21.737 -8.256 -10.662 1.00 19.23 ? 49 VAL B CB 1 ATOM 2634 C CG1 . VAL B 2 49 ? -20.765 -9.418 -10.424 1.00 18.49 ? 49 VAL B CG1 1 ATOM 2635 C CG2 . VAL B 2 49 ? -22.295 -8.340 -12.187 1.00 18.40 ? 49 VAL B CG2 1 ATOM 2636 N N . GLU B 2 50 ? -22.351 -9.590 -7.661 1.00 18.83 ? 50 GLU B N 1 ATOM 2637 C CA . GLU B 2 50 ? -21.851 -9.691 -6.282 1.00 20.37 ? 50 GLU B CA 1 ATOM 2638 C C . GLU B 2 50 ? -20.502 -10.337 -6.295 1.00 19.59 ? 50 GLU B C 1 ATOM 2639 O O . GLU B 2 50 ? -20.215 -11.207 -7.164 1.00 17.43 ? 50 GLU B O 1 ATOM 2640 C CB . GLU B 2 50 ? -22.796 -10.512 -5.401 1.00 21.15 ? 50 GLU B CB 1 ATOM 2641 C CG . GLU B 2 50 ? -24.110 -9.692 -5.012 1.00 24.58 ? 50 GLU B CG 1 ATOM 2642 C CD . GLU B 2 50 ? -23.984 -8.920 -3.689 1.00 33.68 ? 50 GLU B CD 1 ATOM 2643 O OE1 . GLU B 2 50 ? -22.973 -9.073 -2.947 1.00 34.93 ? 50 GLU B OE1 1 ATOM 2644 O OE2 . GLU B 2 50 ? -24.919 -8.155 -3.366 1.00 38.01 ? 50 GLU B OE2 1 ATOM 2645 N N . MET B 2 51 ? -19.632 -9.883 -5.406 1.00 18.62 ? 51 MET B N 1 ATOM 2646 C CA . MET B 2 51 ? -18.258 -10.426 -5.420 1.00 19.49 ? 51 MET B CA 1 ATOM 2647 C C . MET B 2 51 ? -17.954 -11.053 -4.071 1.00 18.49 ? 51 MET B C 1 ATOM 2648 O O . MET B 2 51 ? -18.337 -10.500 -2.987 1.00 19.76 ? 51 MET B O 1 ATOM 2649 C CB . MET B 2 51 ? -17.208 -9.296 -5.578 1.00 21.07 ? 51 MET B CB 1 ATOM 2650 C CG . MET B 2 51 ? -17.445 -8.345 -6.710 1.00 28.11 ? 51 MET B CG 1 ATOM 2651 S SD . MET B 2 51 ? -16.763 -9.057 -8.209 1.00 30.80 ? 51 MET B SD 1 ATOM 2652 C CE . MET B 2 51 ? -17.374 -7.976 -9.520 1.00 30.83 ? 51 MET B CE 1 ATOM 2653 N N . SER B 2 52 ? -17.182 -12.135 -4.089 1.00 17.68 ? 52 SER B N 1 ATOM 2654 C CA . SER B 2 52 ? -16.645 -12.721 -2.847 1.00 17.45 ? 52 SER B CA 1 ATOM 2655 C C . SER B 2 52 ? -15.570 -11.774 -2.309 1.00 17.47 ? 52 SER B C 1 ATOM 2656 O O . SER B 2 52 ? -15.075 -10.884 -3.036 1.00 17.03 ? 52 SER B O 1 ATOM 2657 C CB . SER B 2 52 ? -16.009 -14.136 -3.109 1.00 17.15 ? 52 SER B CB 1 ATOM 2658 O OG . SER B 2 52 ? -14.828 -14.021 -3.920 1.00 18.13 ? 52 SER B OG 1 ATOM 2659 N N . ASP B 2 53 ? -15.149 -11.986 -1.050 1.00 16.68 ? 53 ASP B N 1 ATOM 2660 C CA . ASP B 2 53 ? -13.981 -11.251 -0.561 1.00 17.39 ? 53 ASP B CA 1 ATOM 2661 C C . ASP B 2 53 ? -12.767 -11.771 -1.362 1.00 19.53 ? 53 ASP B C 1 ATOM 2662 O O . ASP B 2 53 ? -12.747 -12.965 -1.705 1.00 23.08 ? 53 ASP B O 1 ATOM 2663 C CB . ASP B 2 53 ? -13.734 -11.600 0.913 1.00 16.50 ? 53 ASP B CB 1 ATOM 2664 C CG . ASP B 2 53 ? -14.822 -11.072 1.811 1.00 21.92 ? 53 ASP B CG 1 ATOM 2665 O OD1 . ASP B 2 53 ? -15.352 -9.984 1.514 1.00 24.55 ? 53 ASP B OD1 1 ATOM 2666 O OD2 . ASP B 2 53 ? -15.157 -11.698 2.814 1.00 19.95 ? 53 ASP B OD2 1 ATOM 2667 N N . MET B 2 54 ? -11.794 -10.920 -1.649 1.00 17.97 ? 54 MET B N 1 ATOM 2668 C CA . MET B 2 54 ? -10.535 -11.482 -2.243 1.00 18.52 ? 54 MET B CA 1 ATOM 2669 C C . MET B 2 54 ? -9.870 -12.379 -1.224 1.00 18.01 ? 54 MET B C 1 ATOM 2670 O O . MET B 2 54 ? -9.903 -12.144 -0.005 1.00 17.06 ? 54 MET B O 1 ATOM 2671 C CB . MET B 2 54 ? -9.514 -10.451 -2.729 1.00 21.27 ? 54 MET B CB 1 ATOM 2672 C CG . MET B 2 54 ? -8.691 -11.082 -4.078 1.00 19.04 ? 54 MET B CG 1 ATOM 2673 S SD . MET B 2 54 ? -7.823 -9.808 -4.488 1.00 28.69 ? 54 MET B SD 1 ATOM 2674 C CE . MET B 2 54 ? -8.979 -8.768 -5.418 1.00 21.80 ? 54 MET B CE 1 ATOM 2675 N N . SER B 2 55 ? -9.267 -13.429 -1.731 1.00 16.43 ? 55 SER B N 1 ATOM 2676 C CA . SER B 2 55 ? -8.508 -14.358 -0.908 1.00 16.11 ? 55 SER B CA 1 ATOM 2677 C C . SER B 2 55 ? -7.340 -14.861 -1.792 1.00 15.08 ? 55 SER B C 1 ATOM 2678 O O . SER B 2 55 ? -7.155 -14.339 -2.888 1.00 15.58 ? 55 SER B O 1 ATOM 2679 C CB . SER B 2 55 ? -9.491 -15.498 -0.590 1.00 17.70 ? 55 SER B CB 1 ATOM 2680 O OG . SER B 2 55 ? -8.917 -16.450 0.317 1.00 21.34 ? 55 SER B OG 1 ATOM 2681 N N . PHE B 2 56 ? -6.506 -15.755 -1.249 1.00 14.49 ? 56 PHE B N 1 ATOM 2682 C CA . PHE B 2 56 ? -5.396 -16.264 -2.020 1.00 15.92 ? 56 PHE B CA 1 ATOM 2683 C C . PHE B 2 56 ? -5.163 -17.696 -1.713 1.00 15.30 ? 56 PHE B C 1 ATOM 2684 O O . PHE B 2 56 ? -5.582 -18.237 -0.646 1.00 16.70 ? 56 PHE B O 1 ATOM 2685 C CB . PHE B 2 56 ? -4.120 -15.409 -1.881 1.00 13.49 ? 56 PHE B CB 1 ATOM 2686 C CG . PHE B 2 56 ? -3.589 -15.307 -0.461 1.00 12.92 ? 56 PHE B CG 1 ATOM 2687 C CD1 . PHE B 2 56 ? -2.721 -16.296 0.052 1.00 10.96 ? 56 PHE B CD1 1 ATOM 2688 C CD2 . PHE B 2 56 ? -3.869 -14.176 0.331 1.00 11.79 ? 56 PHE B CD2 1 ATOM 2689 C CE1 . PHE B 2 56 ? -2.175 -16.222 1.345 1.00 12.40 ? 56 PHE B CE1 1 ATOM 2690 C CE2 . PHE B 2 56 ? -3.250 -14.062 1.605 1.00 12.48 ? 56 PHE B CE2 1 ATOM 2691 C CZ . PHE B 2 56 ? -2.447 -15.050 2.109 1.00 14.44 ? 56 PHE B CZ 1 ATOM 2692 N N . SER B 2 57 ? -4.510 -18.348 -2.670 1.00 17.17 ? 57 SER B N 1 ATOM 2693 C CA . SER B 2 57 ? -4.304 -19.781 -2.627 1.00 20.26 ? 57 SER B CA 1 ATOM 2694 C C . SER B 2 57 ? -2.964 -20.115 -1.997 1.00 19.13 ? 57 SER B C 1 ATOM 2695 O O . SER B 2 57 ? -2.144 -19.228 -1.671 1.00 18.47 ? 57 SER B O 1 ATOM 2696 C CB . SER B 2 57 ? -4.208 -20.282 -4.085 1.00 21.50 ? 57 SER B CB 1 ATOM 2697 O OG . SER B 2 57 ? -5.421 -19.925 -4.767 1.00 27.02 ? 57 SER B OG 1 ATOM 2698 N N . LYS B 2 58 ? -2.707 -21.418 -1.854 1.00 20.41 ? 58 LYS B N 1 ATOM 2699 C CA . LYS B 2 58 ? -1.382 -21.879 -1.330 1.00 21.05 ? 58 LYS B CA 1 ATOM 2700 C C . LYS B 2 58 ? -0.177 -21.310 -2.063 1.00 21.68 ? 58 LYS B C 1 ATOM 2701 O O . LYS B 2 58 ? 0.876 -21.004 -1.430 1.00 21.72 ? 58 LYS B O 1 ATOM 2702 C CB . LYS B 2 58 ? -1.307 -23.424 -1.322 1.00 23.34 ? 58 LYS B CB 1 ATOM 2703 C CG . LYS B 2 58 ? -0.137 -23.987 -0.469 1.00 28.60 ? 58 LYS B CG 1 ATOM 2704 C CD . LYS B 2 58 ? -0.091 -25.540 -0.550 1.00 36.32 ? 58 LYS B CD 1 ATOM 2705 C CE . LYS B 2 58 ? -0.057 -26.165 0.865 1.00 39.38 ? 58 LYS B CE 1 ATOM 2706 N NZ . LYS B 2 58 ? 1.173 -25.730 1.627 1.00 40.23 ? 58 LYS B NZ 1 ATOM 2707 N N . ASP B 2 59 ? -0.291 -21.118 -3.367 1.00 22.28 ? 59 ASP B N 1 ATOM 2708 C CA . ASP B 2 59 ? 0.814 -20.546 -4.095 1.00 20.09 ? 59 ASP B CA 1 ATOM 2709 C C . ASP B 2 59 ? 0.916 -19.046 -4.020 1.00 17.55 ? 59 ASP B C 1 ATOM 2710 O O . ASP B 2 59 ? 1.755 -18.456 -4.769 1.00 17.17 ? 59 ASP B O 1 ATOM 2711 C CB . ASP B 2 59 ? 0.853 -21.036 -5.602 1.00 22.24 ? 59 ASP B CB 1 ATOM 2712 C CG . ASP B 2 59 ? -0.260 -20.427 -6.456 1.00 25.82 ? 59 ASP B CG 1 ATOM 2713 O OD1 . ASP B 2 59 ? -1.034 -19.600 -5.957 1.00 22.75 ? 59 ASP B OD1 1 ATOM 2714 O OD2 . ASP B 2 59 ? -0.436 -20.786 -7.660 1.00 30.64 ? 59 ASP B OD2 1 ATOM 2715 N N . TRP B 2 60 ? 0.087 -18.417 -3.146 1.00 16.26 ? 60 TRP B N 1 ATOM 2716 C CA . TRP B 2 60 ? 0.027 -16.991 -2.964 1.00 15.00 ? 60 TRP B CA 1 ATOM 2717 C C . TRP B 2 60 ? -0.713 -16.151 -4.007 1.00 14.84 ? 60 TRP B C 1 ATOM 2718 O O . TRP B 2 60 ? -0.882 -14.949 -3.808 1.00 14.48 ? 60 TRP B O 1 ATOM 2719 C CB . TRP B 2 60 ? 1.420 -16.380 -2.712 1.00 16.06 ? 60 TRP B CB 1 ATOM 2720 C CG . TRP B 2 60 ? 2.228 -17.097 -1.606 1.00 11.77 ? 60 TRP B CG 1 ATOM 2721 C CD1 . TRP B 2 60 ? 3.182 -18.059 -1.772 1.00 15.61 ? 60 TRP B CD1 1 ATOM 2722 C CD2 . TRP B 2 60 ? 2.098 -16.894 -0.196 1.00 12.32 ? 60 TRP B CD2 1 ATOM 2723 N NE1 . TRP B 2 60 ? 3.644 -18.482 -0.537 1.00 13.55 ? 60 TRP B NE1 1 ATOM 2724 C CE2 . TRP B 2 60 ? 3.005 -17.773 0.447 1.00 12.09 ? 60 TRP B CE2 1 ATOM 2725 C CE3 . TRP B 2 60 ? 1.281 -16.055 0.589 1.00 13.69 ? 60 TRP B CE3 1 ATOM 2726 C CZ2 . TRP B 2 60 ? 3.128 -17.833 1.833 1.00 12.37 ? 60 TRP B CZ2 1 ATOM 2727 C CZ3 . TRP B 2 60 ? 1.383 -16.097 2.004 1.00 14.82 ? 60 TRP B CZ3 1 ATOM 2728 C CH2 . TRP B 2 60 ? 2.322 -16.986 2.614 1.00 13.32 ? 60 TRP B CH2 1 ATOM 2729 N N . SER B 2 61 ? -1.123 -16.736 -5.116 1.00 16.09 ? 61 SER B N 1 ATOM 2730 C CA . SER B 2 61 ? -1.874 -15.958 -6.055 1.00 17.15 ? 61 SER B CA 1 ATOM 2731 C C . SER B 2 61 ? -3.306 -15.719 -5.578 1.00 14.41 ? 61 SER B C 1 ATOM 2732 O O . SER B 2 61 ? -3.916 -16.516 -4.906 1.00 16.78 ? 61 SER B O 1 ATOM 2733 C CB . SER B 2 61 ? -1.886 -16.668 -7.450 1.00 16.31 ? 61 SER B CB 1 ATOM 2734 O OG . SER B 2 61 ? -2.568 -17.905 -7.379 1.00 20.85 ? 61 SER B OG 1 ATOM 2735 N N . PHE B 2 62 ? -3.847 -14.611 -6.021 1.00 16.07 ? 62 PHE B N 1 ATOM 2736 C CA . PHE B 2 62 ? -5.143 -14.246 -5.552 1.00 12.84 ? 62 PHE B CA 1 ATOM 2737 C C . PHE B 2 62 ? -6.258 -14.853 -6.368 1.00 16.38 ? 62 PHE B C 1 ATOM 2738 O O . PHE B 2 62 ? -6.087 -15.240 -7.536 1.00 16.00 ? 62 PHE B O 1 ATOM 2739 C CB . PHE B 2 62 ? -5.186 -12.728 -5.643 1.00 12.92 ? 62 PHE B CB 1 ATOM 2740 C CG . PHE B 2 62 ? -4.255 -12.051 -4.622 1.00 15.22 ? 62 PHE B CG 1 ATOM 2741 C CD1 . PHE B 2 62 ? -2.955 -11.699 -4.936 1.00 16.85 ? 62 PHE B CD1 1 ATOM 2742 C CD2 . PHE B 2 62 ? -4.727 -11.795 -3.289 1.00 13.10 ? 62 PHE B CD2 1 ATOM 2743 C CE1 . PHE B 2 62 ? -2.147 -11.090 -3.967 1.00 16.48 ? 62 PHE B CE1 1 ATOM 2744 C CE2 . PHE B 2 62 ? -3.920 -11.174 -2.373 1.00 15.39 ? 62 PHE B CE2 1 ATOM 2745 C CZ . PHE B 2 62 ? -2.625 -10.830 -2.713 1.00 16.02 ? 62 PHE B CZ 1 ATOM 2746 N N . TYR B 2 63 ? -7.418 -14.925 -5.765 1.00 14.36 ? 63 TYR B N 1 ATOM 2747 C CA . TYR B 2 63 ? -8.653 -15.343 -6.496 1.00 16.11 ? 63 TYR B CA 1 ATOM 2748 C C . TYR B 2 63 ? -9.860 -14.605 -5.952 1.00 17.41 ? 63 TYR B C 1 ATOM 2749 O O . TYR B 2 63 ? -9.931 -14.175 -4.762 1.00 16.70 ? 63 TYR B O 1 ATOM 2750 C CB . TYR B 2 63 ? -8.815 -16.855 -6.465 1.00 15.20 ? 63 TYR B CB 1 ATOM 2751 C CG . TYR B 2 63 ? -9.064 -17.401 -5.062 1.00 16.59 ? 63 TYR B CG 1 ATOM 2752 C CD1 . TYR B 2 63 ? -10.343 -17.372 -4.519 1.00 20.28 ? 63 TYR B CD1 1 ATOM 2753 C CD2 . TYR B 2 63 ? -8.029 -17.969 -4.344 1.00 19.56 ? 63 TYR B CD2 1 ATOM 2754 C CE1 . TYR B 2 63 ? -10.592 -17.875 -3.235 1.00 23.09 ? 63 TYR B CE1 1 ATOM 2755 C CE2 . TYR B 2 63 ? -8.259 -18.521 -3.028 1.00 21.27 ? 63 TYR B CE2 1 ATOM 2756 C CZ . TYR B 2 63 ? -9.528 -18.469 -2.514 1.00 23.77 ? 63 TYR B CZ 1 ATOM 2757 O OH . TYR B 2 63 ? -9.751 -18.937 -1.237 1.00 28.79 ? 63 TYR B OH 1 ATOM 2758 N N . ILE B 2 64 ? -10.843 -14.475 -6.806 1.00 16.21 ? 64 ILE B N 1 ATOM 2759 C CA . ILE B 2 64 ? -12.121 -13.912 -6.414 1.00 16.06 ? 64 ILE B CA 1 ATOM 2760 C C . ILE B 2 64 ? -13.212 -14.466 -7.303 1.00 16.27 ? 64 ILE B C 1 ATOM 2761 O O . ILE B 2 64 ? -12.964 -14.871 -8.471 1.00 15.66 ? 64 ILE B O 1 ATOM 2762 C CB . ILE B 2 64 ? -12.049 -12.384 -6.515 1.00 18.68 ? 64 ILE B CB 1 ATOM 2763 C CG1 . ILE B 2 64 ? -13.297 -11.722 -5.946 1.00 22.60 ? 64 ILE B CG1 1 ATOM 2764 C CG2 . ILE B 2 64 ? -11.779 -11.936 -7.886 1.00 22.95 ? 64 ILE B CG2 1 ATOM 2765 C CD1 . ILE B 2 64 ? -12.918 -10.237 -5.546 1.00 21.62 ? 64 ILE B CD1 1 ATOM 2766 N N . LEU B 2 65 ? -14.384 -14.560 -6.684 1.00 15.13 ? 65 LEU B N 1 ATOM 2767 C CA . LEU B 2 65 ? -15.563 -15.108 -7.401 1.00 14.45 ? 65 LEU B CA 1 ATOM 2768 C C . LEU B 2 65 ? -16.614 -14.036 -7.543 1.00 14.71 ? 65 LEU B C 1 ATOM 2769 O O . LEU B 2 65 ? -17.048 -13.478 -6.551 1.00 15.93 ? 65 LEU B O 1 ATOM 2770 C CB . LEU B 2 65 ? -16.169 -16.281 -6.639 1.00 13.30 ? 65 LEU B CB 1 ATOM 2771 C CG . LEU B 2 65 ? -17.417 -16.979 -7.260 1.00 15.53 ? 65 LEU B CG 1 ATOM 2772 C CD1 . LEU B 2 65 ? -17.123 -17.651 -8.587 1.00 15.33 ? 65 LEU B CD1 1 ATOM 2773 C CD2 . LEU B 2 65 ? -17.956 -18.039 -6.280 1.00 15.13 ? 65 LEU B CD2 1 ATOM 2774 N N . ALA B 2 66 ? -17.060 -13.785 -8.803 1.00 13.76 ? 66 ALA B N 1 ATOM 2775 C CA . ALA B 2 66 ? -18.132 -12.829 -9.124 1.00 14.42 ? 66 ALA B CA 1 ATOM 2776 C C . ALA B 2 66 ? -19.358 -13.667 -9.492 1.00 16.08 ? 66 ALA B C 1 ATOM 2777 O O . ALA B 2 66 ? -19.175 -14.789 -10.023 1.00 13.60 ? 66 ALA B O 1 ATOM 2778 C CB . ALA B 2 66 ? -17.729 -11.894 -10.307 1.00 16.41 ? 66 ALA B CB 1 ATOM 2779 N N . HIS B 2 67 ? -20.582 -13.192 -9.256 1.00 14.69 ? 67 HIS B N 1 ATOM 2780 C CA . HIS B 2 67 ? -21.746 -13.967 -9.701 1.00 14.17 ? 67 HIS B CA 1 ATOM 2781 C C . HIS B 2 67 ? -22.899 -13.060 -9.907 1.00 16.63 ? 67 HIS B C 1 ATOM 2782 O O . HIS B 2 67 ? -22.960 -11.992 -9.296 1.00 14.52 ? 67 HIS B O 1 ATOM 2783 C CB . HIS B 2 67 ? -22.113 -15.157 -8.762 1.00 15.25 ? 67 HIS B CB 1 ATOM 2784 C CG . HIS B 2 67 ? -22.789 -14.743 -7.487 1.00 19.35 ? 67 HIS B CG 1 ATOM 2785 N ND1 . HIS B 2 67 ? -22.089 -14.312 -6.381 1.00 20.76 ? 67 HIS B ND1 1 ATOM 2786 C CD2 . HIS B 2 67 ? -24.107 -14.709 -7.137 1.00 22.30 ? 67 HIS B CD2 1 ATOM 2787 C CE1 . HIS B 2 67 ? -22.937 -14.048 -5.397 1.00 23.08 ? 67 HIS B CE1 1 ATOM 2788 N NE2 . HIS B 2 67 ? -24.167 -14.245 -5.841 1.00 21.90 ? 67 HIS B NE2 1 ATOM 2789 N N . THR B 2 68 ? -23.804 -13.484 -10.771 1.00 13.11 ? 68 THR B N 1 ATOM 2790 C CA . THR B 2 68 ? -24.944 -12.629 -11.068 1.00 15.66 ? 68 THR B CA 1 ATOM 2791 C C . THR B 2 68 ? -26.136 -13.511 -11.416 1.00 16.33 ? 68 THR B C 1 ATOM 2792 O O . THR B 2 68 ? -25.981 -14.583 -11.950 1.00 14.98 ? 68 THR B O 1 ATOM 2793 C CB . THR B 2 68 ? -24.657 -11.639 -12.221 1.00 17.14 ? 68 THR B CB 1 ATOM 2794 O OG1 . THR B 2 68 ? -25.780 -10.742 -12.356 1.00 23.61 ? 68 THR B OG1 1 ATOM 2795 C CG2 . THR B 2 68 ? -24.483 -12.355 -13.592 1.00 19.52 ? 68 THR B CG2 1 ATOM 2796 N N . GLU B 2 69 ? -27.333 -13.033 -11.090 1.00 16.29 ? 69 GLU B N 1 ATOM 2797 C CA . GLU B 2 69 ? -28.502 -13.758 -11.582 1.00 19.37 ? 69 GLU B CA 1 ATOM 2798 C C . GLU B 2 69 ? -28.520 -13.638 -13.090 1.00 18.86 ? 69 GLU B C 1 ATOM 2799 O O . GLU B 2 69 ? -28.158 -12.585 -13.663 1.00 17.54 ? 69 GLU B O 1 ATOM 2800 C CB . GLU B 2 69 ? -29.772 -13.138 -10.978 1.00 19.11 ? 69 GLU B CB 1 ATOM 2801 C CG . GLU B 2 69 ? -29.817 -13.235 -9.484 1.00 26.62 ? 69 GLU B CG 1 ATOM 2802 C CD . GLU B 2 69 ? -30.966 -12.476 -8.935 1.00 36.76 ? 69 GLU B CD 1 ATOM 2803 O OE1 . GLU B 2 69 ? -31.311 -12.701 -7.761 1.00 40.52 ? 69 GLU B OE1 1 ATOM 2804 O OE2 . GLU B 2 69 ? -31.531 -11.663 -9.704 1.00 41.89 ? 69 GLU B OE2 1 ATOM 2805 N N . PHE B 2 70 ? -28.965 -14.701 -13.779 1.00 17.73 ? 70 PHE B N 1 ATOM 2806 C CA . PHE B 2 70 ? -29.153 -14.556 -15.234 1.00 16.32 ? 70 PHE B CA 1 ATOM 2807 C C . PHE B 2 70 ? -30.215 -15.543 -15.704 1.00 17.32 ? 70 PHE B C 1 ATOM 2808 O O . PHE B 2 70 ? -30.459 -16.514 -15.009 1.00 15.14 ? 70 PHE B O 1 ATOM 2809 C CB . PHE B 2 70 ? -27.825 -14.709 -15.998 1.00 17.50 ? 70 PHE B CB 1 ATOM 2810 C CG . PHE B 2 70 ? -27.414 -16.162 -16.318 1.00 16.59 ? 70 PHE B CG 1 ATOM 2811 C CD1 . PHE B 2 70 ? -27.307 -17.129 -15.331 1.00 15.38 ? 70 PHE B CD1 1 ATOM 2812 C CD2 . PHE B 2 70 ? -27.011 -16.496 -17.648 1.00 15.34 ? 70 PHE B CD2 1 ATOM 2813 C CE1 . PHE B 2 70 ? -26.834 -18.394 -15.659 1.00 15.36 ? 70 PHE B CE1 1 ATOM 2814 C CE2 . PHE B 2 70 ? -26.508 -17.763 -17.960 1.00 13.73 ? 70 PHE B CE2 1 ATOM 2815 C CZ . PHE B 2 70 ? -26.452 -18.742 -16.944 1.00 16.11 ? 70 PHE B CZ 1 ATOM 2816 N N . THR B 2 71 ? -30.782 -15.324 -16.884 1.00 17.90 ? 71 THR B N 1 ATOM 2817 C CA . THR B 2 71 ? -31.711 -16.265 -17.505 1.00 18.25 ? 71 THR B CA 1 ATOM 2818 C C . THR B 2 71 ? -31.193 -16.466 -18.914 1.00 19.02 ? 71 THR B C 1 ATOM 2819 O O . THR B 2 71 ? -31.287 -15.561 -19.762 1.00 21.66 ? 71 THR B O 1 ATOM 2820 C CB . THR B 2 71 ? -33.175 -15.664 -17.548 1.00 19.00 ? 71 THR B CB 1 ATOM 2821 O OG1 . THR B 2 71 ? -33.591 -15.364 -16.215 1.00 18.63 ? 71 THR B OG1 1 ATOM 2822 C CG2 . THR B 2 71 ? -34.175 -16.698 -18.063 1.00 19.17 ? 71 THR B CG2 1 ATOM 2823 N N . PRO B 2 72 ? -30.610 -17.613 -19.181 1.00 19.53 ? 72 PRO B N 1 ATOM 2824 C CA . PRO B 2 72 ? -30.047 -17.756 -20.525 1.00 19.42 ? 72 PRO B CA 1 ATOM 2825 C C . PRO B 2 72 ? -31.194 -17.850 -21.517 1.00 18.00 ? 72 PRO B C 1 ATOM 2826 O O . PRO B 2 72 ? -32.254 -18.416 -21.192 1.00 17.67 ? 72 PRO B O 1 ATOM 2827 C CB . PRO B 2 72 ? -29.397 -19.141 -20.508 1.00 21.73 ? 72 PRO B CB 1 ATOM 2828 C CG . PRO B 2 72 ? -29.608 -19.716 -19.111 1.00 21.24 ? 72 PRO B CG 1 ATOM 2829 C CD . PRO B 2 72 ? -30.340 -18.732 -18.245 1.00 19.39 ? 72 PRO B CD 1 ATOM 2830 N N . THR B 2 73 ? -30.967 -17.391 -22.735 1.00 17.03 ? 73 THR B N 1 ATOM 2831 C CA . THR B 2 73 ? -31.908 -17.584 -23.818 1.00 18.52 ? 73 THR B CA 1 ATOM 2832 C C . THR B 2 73 ? -31.071 -17.571 -25.060 1.00 19.82 ? 73 THR B C 1 ATOM 2833 O O . THR B 2 73 ? -29.884 -17.223 -25.004 1.00 19.10 ? 73 THR B O 1 ATOM 2834 C CB . THR B 2 73 ? -32.873 -16.401 -24.001 1.00 19.96 ? 73 THR B CB 1 ATOM 2835 O OG1 . THR B 2 73 ? -32.148 -15.295 -24.545 1.00 24.60 ? 73 THR B OG1 1 ATOM 2836 C CG2 . THR B 2 73 ? -33.505 -15.959 -22.693 1.00 20.40 ? 73 THR B CG2 1 ATOM 2837 N N . GLU B 2 74 ? -31.669 -17.920 -26.196 1.00 20.57 ? 74 GLU B N 1 ATOM 2838 C CA . GLU B 2 74 ? -30.856 -18.010 -27.414 1.00 21.96 ? 74 GLU B CA 1 ATOM 2839 C C . GLU B 2 74 ? -30.798 -16.719 -28.186 1.00 19.85 ? 74 GLU B C 1 ATOM 2840 O O . GLU B 2 74 ? -30.505 -16.713 -29.393 1.00 19.10 ? 74 GLU B O 1 ATOM 2841 C CB . GLU B 2 74 ? -31.339 -19.188 -28.292 1.00 24.91 ? 74 GLU B CB 1 ATOM 2842 C CG . GLU B 2 74 ? -31.241 -20.541 -27.528 1.00 30.56 ? 74 GLU B CG 1 ATOM 2843 C CD . GLU B 2 74 ? -29.821 -20.922 -27.032 1.00 37.05 ? 74 GLU B CD 1 ATOM 2844 O OE1 . GLU B 2 74 ? -28.910 -20.053 -26.987 1.00 41.95 ? 74 GLU B OE1 1 ATOM 2845 O OE2 . GLU B 2 74 ? -29.608 -22.116 -26.719 1.00 35.17 ? 74 GLU B OE2 1 ATOM 2846 N N . THR B 2 75 ? -31.019 -15.611 -27.479 1.00 17.63 ? 75 THR B N 1 ATOM 2847 C CA . THR B 2 75 ? -30.758 -14.330 -28.045 1.00 17.78 ? 75 THR B CA 1 ATOM 2848 C C . THR B 2 75 ? -29.815 -13.537 -27.178 1.00 17.40 ? 75 THR B C 1 ATOM 2849 O O . THR B 2 75 ? -29.621 -12.347 -27.436 1.00 19.08 ? 75 THR B O 1 ATOM 2850 C CB . THR B 2 75 ? -32.054 -13.510 -28.287 1.00 18.56 ? 75 THR B CB 1 ATOM 2851 O OG1 . THR B 2 75 ? -32.761 -13.339 -27.046 1.00 22.32 ? 75 THR B OG1 1 ATOM 2852 C CG2 . THR B 2 75 ? -32.955 -14.183 -29.315 1.00 17.78 ? 75 THR B CG2 1 ATOM 2853 N N . ASP B 2 76 ? -29.213 -14.130 -26.137 1.00 16.38 ? 76 ASP B N 1 ATOM 2854 C CA . ASP B 2 76 ? -28.351 -13.337 -25.257 1.00 17.01 ? 76 ASP B CA 1 ATOM 2855 C C . ASP B 2 76 ? -27.024 -14.011 -25.084 1.00 15.92 ? 76 ASP B C 1 ATOM 2856 O O . ASP B 2 76 ? -26.960 -15.232 -24.942 1.00 16.95 ? 76 ASP B O 1 ATOM 2857 C CB . ASP B 2 76 ? -28.943 -13.244 -23.834 1.00 16.49 ? 76 ASP B CB 1 ATOM 2858 C CG . ASP B 2 76 ? -30.263 -12.520 -23.797 1.00 20.25 ? 76 ASP B CG 1 ATOM 2859 O OD1 . ASP B 2 76 ? -30.269 -11.403 -24.333 1.00 23.66 ? 76 ASP B OD1 1 ATOM 2860 O OD2 . ASP B 2 76 ? -31.302 -13.063 -23.365 1.00 24.22 ? 76 ASP B OD2 1 ATOM 2861 N N . THR B 2 77 ? -25.965 -13.210 -25.085 1.00 17.08 ? 77 THR B N 1 ATOM 2862 C CA . THR B 2 77 ? -24.638 -13.684 -24.758 1.00 14.71 ? 77 THR B CA 1 ATOM 2863 C C . THR B 2 77 ? -24.178 -13.116 -23.420 1.00 15.87 ? 77 THR B C 1 ATOM 2864 O O . THR B 2 77 ? -24.682 -12.108 -22.998 1.00 14.31 ? 77 THR B O 1 ATOM 2865 C CB . THR B 2 77 ? -23.533 -13.263 -25.790 1.00 15.15 ? 77 THR B CB 1 ATOM 2866 O OG1 . THR B 2 77 ? -23.354 -11.831 -25.782 1.00 14.59 ? 77 THR B OG1 1 ATOM 2867 C CG2 . THR B 2 77 ? -23.894 -13.691 -27.242 1.00 15.49 ? 77 THR B CG2 1 ATOM 2868 N N . TYR B 2 78 ? -23.216 -13.788 -22.796 1.00 13.74 ? 78 TYR B N 1 ATOM 2869 C CA . TYR B 2 78 ? -22.722 -13.457 -21.465 1.00 15.05 ? 78 TYR B CA 1 ATOM 2870 C C . TYR B 2 78 ? -21.209 -13.579 -21.443 1.00 14.07 ? 78 TYR B C 1 ATOM 2871 O O . TYR B 2 78 ? -20.647 -14.454 -22.127 1.00 13.51 ? 78 TYR B O 1 ATOM 2872 C CB . TYR B 2 78 ? -23.338 -14.388 -20.395 1.00 14.97 ? 78 TYR B CB 1 ATOM 2873 C CG . TYR B 2 78 ? -24.798 -14.183 -20.235 1.00 14.59 ? 78 TYR B CG 1 ATOM 2874 C CD1 . TYR B 2 78 ? -25.720 -14.894 -21.003 1.00 13.81 ? 78 TYR B CD1 1 ATOM 2875 C CD2 . TYR B 2 78 ? -25.284 -13.143 -19.405 1.00 16.72 ? 78 TYR B CD2 1 ATOM 2876 C CE1 . TYR B 2 78 ? -27.081 -14.612 -20.894 1.00 18.44 ? 78 TYR B CE1 1 ATOM 2877 C CE2 . TYR B 2 78 ? -26.658 -12.903 -19.290 1.00 17.67 ? 78 TYR B CE2 1 ATOM 2878 C CZ . TYR B 2 78 ? -27.536 -13.653 -20.048 1.00 19.60 ? 78 TYR B CZ 1 ATOM 2879 O OH . TYR B 2 78 ? -28.898 -13.437 -20.028 1.00 20.51 ? 78 TYR B OH 1 ATOM 2880 N N . ALA B 2 79 ? -20.557 -12.674 -20.690 1.00 14.67 ? 79 ALA B N 1 ATOM 2881 C CA . ALA B 2 79 ? -19.178 -12.676 -20.636 1.00 14.12 ? 79 ALA B CA 1 ATOM 2882 C C . ALA B 2 79 ? -18.669 -12.156 -19.302 1.00 13.61 ? 79 ALA B C 1 ATOM 2883 O O . ALA B 2 79 ? -19.395 -11.555 -18.570 1.00 15.27 ? 79 ALA B O 1 ATOM 2884 C CB . ALA B 2 79 ? -18.584 -11.770 -21.813 1.00 12.88 ? 79 ALA B CB 1 ATOM 2885 N N . CYS B 2 80 ? -17.368 -12.332 -19.101 1.00 13.24 ? 80 CYS B N 1 ATOM 2886 C CA . CYS B 2 80 ? -16.728 -11.745 -17.898 1.00 15.09 ? 80 CYS B CA 1 ATOM 2887 C C . CYS B 2 80 ? -15.506 -11.025 -18.403 1.00 15.39 ? 80 CYS B C 1 ATOM 2888 O O . CYS B 2 80 ? -14.719 -11.590 -19.222 1.00 18.30 ? 80 CYS B O 1 ATOM 2889 C CB . CYS B 2 80 ? -16.357 -12.879 -16.962 1.00 14.26 ? 80 CYS B CB 1 ATOM 2890 S SG . CYS B 2 80 ? -15.781 -12.200 -15.370 1.00 17.09 ? 80 CYS B SG 1 ATOM 2891 N N . ARG B 2 81 ? -15.377 -9.750 -18.052 1.00 14.45 ? 81 ARG B N 1 ATOM 2892 C CA . ARG B 2 81 ? -14.257 -8.870 -18.578 1.00 14.80 ? 81 ARG B CA 1 ATOM 2893 C C . ARG B 2 81 ? -13.422 -8.412 -17.377 1.00 16.96 ? 81 ARG B C 1 ATOM 2894 O O . ARG B 2 81 ? -13.976 -7.961 -16.384 1.00 15.58 ? 81 ARG B O 1 ATOM 2895 C CB . ARG B 2 81 ? -14.783 -7.625 -19.332 1.00 14.92 ? 81 ARG B CB 1 ATOM 2896 C CG . ARG B 2 81 ? -13.723 -6.670 -19.859 1.00 16.95 ? 81 ARG B CG 1 ATOM 2897 C CD . ARG B 2 81 ? -14.413 -5.742 -20.888 1.00 24.38 ? 81 ARG B CD 1 ATOM 2898 N NE . ARG B 2 81 ? -15.335 -4.849 -20.196 1.00 29.78 ? 81 ARG B NE 1 ATOM 2899 C CZ . ARG B 2 81 ? -16.231 -4.085 -20.835 1.00 37.20 ? 81 ARG B CZ 1 ATOM 2900 N NH1 . ARG B 2 81 ? -16.323 -4.141 -22.168 1.00 36.71 ? 81 ARG B NH1 1 ATOM 2901 N NH2 . ARG B 2 81 ? -17.039 -3.275 -20.150 1.00 37.72 ? 81 ARG B NH2 1 ATOM 2902 N N . VAL B 2 82 ? -12.096 -8.517 -17.519 1.00 17.59 ? 82 VAL B N 1 ATOM 2903 C CA . VAL B 2 82 ? -11.177 -8.228 -16.401 1.00 17.49 ? 82 VAL B CA 1 ATOM 2904 C C . VAL B 2 82 ? -10.145 -7.264 -16.821 1.00 16.73 ? 82 VAL B C 1 ATOM 2905 O O . VAL B 2 82 ? -9.551 -7.449 -17.873 1.00 17.96 ? 82 VAL B O 1 ATOM 2906 C CB . VAL B 2 82 ? -10.492 -9.541 -16.008 1.00 17.43 ? 82 VAL B CB 1 ATOM 2907 C CG1 . VAL B 2 82 ? -9.368 -9.300 -14.989 1.00 19.49 ? 82 VAL B CG1 1 ATOM 2908 C CG2 . VAL B 2 82 ? -11.635 -10.489 -15.489 1.00 21.26 ? 82 VAL B CG2 1 ATOM 2909 N N . LYS B 2 83 ? -9.920 -6.242 -15.998 1.00 15.89 ? 83 LYS B N 1 ATOM 2910 C CA . LYS B 2 83 ? -8.800 -5.321 -16.181 1.00 15.60 ? 83 LYS B CA 1 ATOM 2911 C C . LYS B 2 83 ? -7.799 -5.533 -15.064 1.00 14.63 ? 83 LYS B C 1 ATOM 2912 O O . LYS B 2 83 ? -8.177 -5.539 -13.889 1.00 15.24 ? 83 LYS B O 1 ATOM 2913 C CB . LYS B 2 83 ? -9.299 -3.869 -16.148 1.00 17.59 ? 83 LYS B CB 1 ATOM 2914 C CG . LYS B 2 83 ? -10.187 -3.537 -17.338 1.00 22.07 ? 83 LYS B CG 1 ATOM 2915 C CD . LYS B 2 83 ? -10.498 -2.018 -17.440 1.00 28.90 ? 83 LYS B CD 1 ATOM 2916 C CE . LYS B 2 83 ? -11.587 -1.815 -18.496 1.00 33.01 ? 83 LYS B CE 1 ATOM 2917 N NZ . LYS B 2 83 ? -12.166 -0.436 -18.434 1.00 35.53 ? 83 LYS B NZ 1 ATOM 2918 N N . HIS B 2 84 ? -6.534 -5.683 -15.422 1.00 17.06 ? 84 HIS B N 1 ATOM 2919 C CA . HIS B 2 84 ? -5.487 -5.903 -14.393 1.00 16.16 ? 84 HIS B CA 1 ATOM 2920 C C . HIS B 2 84 ? -4.174 -5.339 -14.945 1.00 17.37 ? 84 HIS B C 1 ATOM 2921 O O . HIS B 2 84 ? -3.971 -5.308 -16.197 1.00 18.26 ? 84 HIS B O 1 ATOM 2922 C CB . HIS B 2 84 ? -5.371 -7.432 -14.166 1.00 16.29 ? 84 HIS B CB 1 ATOM 2923 C CG . HIS B 2 84 ? -4.430 -7.803 -13.069 1.00 16.74 ? 84 HIS B CG 1 ATOM 2924 N ND1 . HIS B 2 84 ? -3.168 -8.291 -13.309 1.00 17.73 ? 84 HIS B ND1 1 ATOM 2925 C CD2 . HIS B 2 84 ? -4.593 -7.818 -11.721 1.00 14.78 ? 84 HIS B CD2 1 ATOM 2926 C CE1 . HIS B 2 84 ? -2.566 -8.522 -12.152 1.00 17.77 ? 84 HIS B CE1 1 ATOM 2927 N NE2 . HIS B 2 84 ? -3.416 -8.243 -11.182 1.00 14.09 ? 84 HIS B NE2 1 ATOM 2928 N N . ALA B 2 85 ? -3.272 -4.935 -14.046 1.00 17.47 ? 85 ALA B N 1 ATOM 2929 C CA . ALA B 2 85 ? -2.065 -4.246 -14.498 1.00 20.71 ? 85 ALA B CA 1 ATOM 2930 C C . ALA B 2 85 ? -1.225 -5.148 -15.383 1.00 20.02 ? 85 ALA B C 1 ATOM 2931 O O . ALA B 2 85 ? -0.424 -4.646 -16.165 1.00 21.00 ? 85 ALA B O 1 ATOM 2932 C CB . ALA B 2 85 ? -1.240 -3.747 -13.290 1.00 20.20 ? 85 ALA B CB 1 ATOM 2933 N N . SER B 2 86 ? -1.412 -6.473 -15.269 1.00 21.12 ? 86 SER B N 1 ATOM 2934 C CA . SER B 2 86 ? -0.612 -7.457 -16.031 1.00 20.80 ? 86 SER B CA 1 ATOM 2935 C C . SER B 2 86 ? -0.888 -7.503 -17.530 1.00 22.14 ? 86 SER B C 1 ATOM 2936 O O . SER B 2 86 ? -0.160 -8.169 -18.294 1.00 22.56 ? 86 SER B O 1 ATOM 2937 C CB . SER B 2 86 ? -0.777 -8.862 -15.453 1.00 21.99 ? 86 SER B CB 1 ATOM 2938 O OG . SER B 2 86 ? -2.096 -9.362 -15.714 1.00 17.63 ? 86 SER B OG 1 ATOM 2939 N N . MET B 2 87 ? -1.956 -6.825 -17.945 1.00 22.23 ? 87 MET B N 1 ATOM 2940 C CA . MET B 2 87 ? -2.453 -6.894 -19.329 1.00 22.37 ? 87 MET B CA 1 ATOM 2941 C C . MET B 2 87 ? -2.650 -5.506 -19.895 1.00 22.49 ? 87 MET B C 1 ATOM 2942 O O . MET B 2 87 ? -3.103 -4.623 -19.186 1.00 23.11 ? 87 MET B O 1 ATOM 2943 C CB . MET B 2 87 ? -3.810 -7.588 -19.321 1.00 21.01 ? 87 MET B CB 1 ATOM 2944 C CG . MET B 2 87 ? -3.684 -9.005 -18.859 1.00 22.06 ? 87 MET B CG 1 ATOM 2945 S SD . MET B 2 87 ? -5.232 -9.871 -18.982 1.00 24.96 ? 87 MET B SD 1 ATOM 2946 C CE . MET B 2 87 ? -6.303 -8.927 -17.926 1.00 20.46 ? 87 MET B CE 1 ATOM 2947 N N . ALA B 2 88 ? -2.321 -5.284 -21.167 1.00 23.47 ? 88 ALA B N 1 ATOM 2948 C CA . ALA B 2 88 ? -2.394 -3.924 -21.683 1.00 23.38 ? 88 ALA B CA 1 ATOM 2949 C C . ALA B 2 88 ? -3.830 -3.535 -21.998 1.00 23.72 ? 88 ALA B C 1 ATOM 2950 O O . ALA B 2 88 ? -4.161 -2.342 -22.004 1.00 24.55 ? 88 ALA B O 1 ATOM 2951 C CB . ALA B 2 88 ? -1.482 -3.721 -22.931 1.00 24.27 ? 88 ALA B CB 1 ATOM 2952 N N . GLU B 2 89 ? -4.660 -4.533 -22.299 1.00 22.41 ? 89 GLU B N 1 ATOM 2953 C CA . GLU B 2 89 ? -6.062 -4.336 -22.635 1.00 24.20 ? 89 GLU B CA 1 ATOM 2954 C C . GLU B 2 89 ? -6.873 -5.261 -21.749 1.00 23.72 ? 89 GLU B C 1 ATOM 2955 O O . GLU B 2 89 ? -6.343 -6.260 -21.257 1.00 21.77 ? 89 GLU B O 1 ATOM 2956 C CB . GLU B 2 89 ? -6.305 -4.712 -24.111 1.00 24.78 ? 89 GLU B CB 1 ATOM 2957 C CG . GLU B 2 89 ? -5.394 -3.976 -25.106 1.00 30.17 ? 89 GLU B CG 1 ATOM 2958 C CD . GLU B 2 89 ? -5.867 -2.555 -25.416 1.00 37.75 ? 89 GLU B CD 1 ATOM 2959 O OE1 . GLU B 2 89 ? -6.623 -1.966 -24.597 1.00 41.20 ? 89 GLU B OE1 1 ATOM 2960 O OE2 . GLU B 2 89 ? -5.475 -2.014 -26.487 1.00 41.93 ? 89 GLU B OE2 1 ATOM 2961 N N . PRO B 2 90 ? -8.140 -4.918 -21.488 1.00 24.05 ? 90 PRO B N 1 ATOM 2962 C CA . PRO B 2 90 ? -8.972 -5.835 -20.702 1.00 23.59 ? 90 PRO B CA 1 ATOM 2963 C C . PRO B 2 90 ? -9.096 -7.165 -21.410 1.00 22.36 ? 90 PRO B C 1 ATOM 2964 O O . PRO B 2 90 ? -9.083 -7.212 -22.659 1.00 23.08 ? 90 PRO B O 1 ATOM 2965 C CB . PRO B 2 90 ? -10.360 -5.183 -20.737 1.00 24.44 ? 90 PRO B CB 1 ATOM 2966 C CG . PRO B 2 90 ? -10.109 -3.742 -21.073 1.00 24.83 ? 90 PRO B CG 1 ATOM 2967 C CD . PRO B 2 90 ? -8.941 -3.815 -22.052 1.00 25.38 ? 90 PRO B CD 1 ATOM 2968 N N . LYS B 2 91 ? -9.247 -8.244 -20.639 1.00 20.21 ? 91 LYS B N 1 ATOM 2969 C CA . LYS B 2 91 ? -9.415 -9.562 -21.222 1.00 17.33 ? 91 LYS B CA 1 ATOM 2970 C C . LYS B 2 91 ? -10.859 -9.962 -21.020 1.00 17.36 ? 91 LYS B C 1 ATOM 2971 O O . LYS B 2 91 ? -11.369 -9.845 -19.914 1.00 17.24 ? 91 LYS B O 1 ATOM 2972 C CB . LYS B 2 91 ? -8.546 -10.499 -20.419 1.00 17.79 ? 91 LYS B CB 1 ATOM 2973 C CG . LYS B 2 91 ? -8.595 -12.000 -20.828 1.00 21.60 ? 91 LYS B CG 1 ATOM 2974 C CD . LYS B 2 91 ? -7.945 -12.753 -19.644 1.00 28.26 ? 91 LYS B CD 1 ATOM 2975 C CE . LYS B 2 91 ? -7.427 -14.115 -20.006 1.00 35.42 ? 91 LYS B CE 1 ATOM 2976 N NZ . LYS B 2 91 ? -6.164 -14.365 -19.222 1.00 34.00 ? 91 LYS B NZ 1 ATOM 2977 N N . THR B 2 92 ? -11.525 -10.453 -22.078 1.00 16.11 ? 92 THR B N 1 ATOM 2978 C CA . THR B 2 92 ? -12.897 -10.826 -21.946 1.00 16.46 ? 92 THR B CA 1 ATOM 2979 C C . THR B 2 92 ? -13.016 -12.295 -22.252 1.00 16.17 ? 92 THR B C 1 ATOM 2980 O O . THR B 2 92 ? -12.455 -12.775 -23.256 1.00 17.63 ? 92 THR B O 1 ATOM 2981 C CB . THR B 2 92 ? -13.729 -10.112 -22.910 1.00 15.92 ? 92 THR B CB 1 ATOM 2982 O OG1 . THR B 2 92 ? -13.621 -8.700 -22.651 1.00 17.92 ? 92 THR B OG1 1 ATOM 2983 C CG2 . THR B 2 92 ? -15.181 -10.539 -22.753 1.00 17.00 ? 92 THR B CG2 1 ATOM 2984 N N . VAL B 2 93 ? -13.751 -13.001 -21.427 1.00 15.07 ? 93 VAL B N 1 ATOM 2985 C CA . VAL B 2 93 ? -14.010 -14.401 -21.700 1.00 16.70 ? 93 VAL B CA 1 ATOM 2986 C C . VAL B 2 93 ? -15.490 -14.620 -21.794 1.00 16.45 ? 93 VAL B C 1 ATOM 2987 O O . VAL B 2 93 ? -16.225 -14.346 -20.846 1.00 15.93 ? 93 VAL B O 1 ATOM 2988 C CB . VAL B 2 93 ? -13.363 -15.336 -20.607 1.00 16.72 ? 93 VAL B CB 1 ATOM 2989 C CG1 . VAL B 2 93 ? -13.855 -16.793 -20.747 1.00 19.97 ? 93 VAL B CG1 1 ATOM 2990 C CG2 . VAL B 2 93 ? -11.810 -15.227 -20.736 1.00 19.86 ? 93 VAL B CG2 1 ATOM 2991 N N . TYR B 2 94 ? -15.944 -15.115 -22.962 1.00 16.38 ? 94 TYR B N 1 ATOM 2992 C CA . TYR B 2 94 ? -17.389 -15.386 -23.151 1.00 14.53 ? 94 TYR B CA 1 ATOM 2993 C C . TYR B 2 94 ? -17.788 -16.716 -22.535 1.00 15.04 ? 94 TYR B C 1 ATOM 2994 O O . TYR B 2 94 ? -17.042 -17.747 -22.624 1.00 17.39 ? 94 TYR B O 1 ATOM 2995 C CB . TYR B 2 94 ? -17.809 -15.325 -24.663 1.00 14.27 ? 94 TYR B CB 1 ATOM 2996 C CG . TYR B 2 94 ? -18.073 -13.899 -25.061 1.00 14.13 ? 94 TYR B CG 1 ATOM 2997 C CD1 . TYR B 2 94 ? -17.046 -12.995 -25.292 1.00 14.25 ? 94 TYR B CD1 1 ATOM 2998 C CD2 . TYR B 2 94 ? -19.372 -13.442 -25.076 1.00 15.92 ? 94 TYR B CD2 1 ATOM 2999 C CE1 . TYR B 2 94 ? -17.345 -11.667 -25.592 1.00 16.18 ? 94 TYR B CE1 1 ATOM 3000 C CE2 . TYR B 2 94 ? -19.669 -12.148 -25.360 1.00 16.96 ? 94 TYR B CE2 1 ATOM 3001 C CZ . TYR B 2 94 ? -18.700 -11.283 -25.601 1.00 14.61 ? 94 TYR B CZ 1 ATOM 3002 O OH . TYR B 2 94 ? -19.098 -9.990 -25.847 1.00 22.16 ? 94 TYR B OH 1 ATOM 3003 N N . TRP B 2 95 ? -18.957 -16.716 -21.948 1.00 14.24 ? 95 TRP B N 1 ATOM 3004 C CA . TRP B 2 95 ? -19.585 -17.954 -21.514 1.00 14.99 ? 95 TRP B CA 1 ATOM 3005 C C . TRP B 2 95 ? -19.772 -18.838 -22.765 1.00 17.85 ? 95 TRP B C 1 ATOM 3006 O O . TRP B 2 95 ? -20.290 -18.354 -23.786 1.00 17.68 ? 95 TRP B O 1 ATOM 3007 C CB . TRP B 2 95 ? -20.935 -17.646 -20.919 1.00 14.18 ? 95 TRP B CB 1 ATOM 3008 C CG . TRP B 2 95 ? -21.705 -18.832 -20.405 1.00 18.08 ? 95 TRP B CG 1 ATOM 3009 C CD1 . TRP B 2 95 ? -21.248 -19.880 -19.607 1.00 16.93 ? 95 TRP B CD1 1 ATOM 3010 C CD2 . TRP B 2 95 ? -23.099 -19.087 -20.659 1.00 17.70 ? 95 TRP B CD2 1 ATOM 3011 N NE1 . TRP B 2 95 ? -22.287 -20.740 -19.341 1.00 14.65 ? 95 TRP B NE1 1 ATOM 3012 C CE2 . TRP B 2 95 ? -23.426 -20.296 -19.987 1.00 17.61 ? 95 TRP B CE2 1 ATOM 3013 C CE3 . TRP B 2 95 ? -24.093 -18.428 -21.421 1.00 17.17 ? 95 TRP B CE3 1 ATOM 3014 C CZ2 . TRP B 2 95 ? -24.690 -20.847 -20.035 1.00 19.42 ? 95 TRP B CZ2 1 ATOM 3015 C CZ3 . TRP B 2 95 ? -25.399 -18.985 -21.431 1.00 20.30 ? 95 TRP B CZ3 1 ATOM 3016 C CH2 . TRP B 2 95 ? -25.660 -20.195 -20.787 1.00 20.84 ? 95 TRP B CH2 1 ATOM 3017 N N . ASP B 2 96 ? -19.408 -20.118 -22.686 1.00 17.51 ? 96 ASP B N 1 ATOM 3018 C CA . ASP B 2 96 ? -19.523 -21.063 -23.871 1.00 16.70 ? 96 ASP B CA 1 ATOM 3019 C C . ASP B 2 96 ? -20.893 -21.667 -24.047 1.00 17.73 ? 96 ASP B C 1 ATOM 3020 O O . ASP B 2 96 ? -21.107 -22.530 -24.959 1.00 16.40 ? 96 ASP B O 1 ATOM 3021 C CB . ASP B 2 96 ? -18.433 -22.150 -23.782 1.00 16.76 ? 96 ASP B CB 1 ATOM 3022 C CG . ASP B 2 96 ? -18.745 -23.217 -22.717 1.00 21.32 ? 96 ASP B CG 1 ATOM 3023 O OD1 . ASP B 2 96 ? -19.797 -23.046 -22.073 1.00 18.99 ? 96 ASP B OD1 1 ATOM 3024 O OD2 . ASP B 2 96 ? -17.969 -24.256 -22.602 1.00 23.71 ? 96 ASP B OD2 1 ATOM 3025 N N . ARG B 2 97 ? -21.844 -21.156 -23.254 1.00 18.26 ? 97 ARG B N 1 ATOM 3026 C CA . ARG B 2 97 ? -23.285 -21.509 -23.250 1.00 19.21 ? 97 ARG B CA 1 ATOM 3027 C C . ARG B 2 97 ? -23.566 -22.924 -22.699 1.00 20.07 ? 97 ARG B C 1 ATOM 3028 O O . ARG B 2 97 ? -24.697 -23.367 -22.682 1.00 19.73 ? 97 ARG B O 1 ATOM 3029 C CB . ARG B 2 97 ? -23.988 -21.322 -24.620 1.00 19.16 ? 97 ARG B CB 1 ATOM 3030 C CG . ARG B 2 97 ? -23.457 -20.104 -25.435 1.00 19.77 ? 97 ARG B CG 1 ATOM 3031 C CD . ARG B 2 97 ? -24.249 -19.943 -26.705 1.00 21.67 ? 97 ARG B CD 1 ATOM 3032 N NE . ARG B 2 97 ? -25.667 -19.679 -26.398 1.00 21.15 ? 97 ARG B NE 1 ATOM 3033 C CZ . ARG B 2 97 ? -26.073 -18.466 -26.002 1.00 25.68 ? 97 ARG B CZ 1 ATOM 3034 N NH1 . ARG B 2 97 ? -25.203 -17.452 -25.913 1.00 20.63 ? 97 ARG B NH1 1 ATOM 3035 N NH2 . ARG B 2 97 ? -27.332 -18.234 -25.710 1.00 23.71 ? 97 ARG B NH2 1 ATOM 3036 N N . ASP B 2 98 ? -22.537 -23.583 -22.186 1.00 20.91 ? 98 ASP B N 1 ATOM 3037 C CA . ASP B 2 98 ? -22.699 -24.999 -21.797 1.00 19.62 ? 98 ASP B CA 1 ATOM 3038 C C . ASP B 2 98 ? -22.307 -25.167 -20.304 1.00 20.72 ? 98 ASP B C 1 ATOM 3039 O O . ASP B 2 98 ? -22.946 -25.955 -19.616 1.00 19.70 ? 98 ASP B O 1 ATOM 3040 C CB . ASP B 2 98 ? -21.778 -25.916 -22.608 1.00 21.06 ? 98 ASP B CB 1 ATOM 3041 C CG . ASP B 2 98 ? -22.282 -26.194 -24.026 1.00 24.62 ? 98 ASP B CG 1 ATOM 3042 O OD1 . ASP B 2 98 ? -23.476 -25.991 -24.290 1.00 27.90 ? 98 ASP B OD1 1 ATOM 3043 O OD2 . ASP B 2 98 ? -21.477 -26.678 -24.885 1.00 23.64 ? 98 ASP B OD2 1 ATOM 3044 N N . MET B 2 99 ? -21.227 -24.471 -19.880 1.00 19.06 ? 99 MET B N 1 ATOM 3045 C CA . MET B 2 99 ? -20.643 -24.622 -18.550 1.00 20.30 ? 99 MET B CA 1 ATOM 3046 C C . MET B 2 99 ? -21.597 -24.014 -17.540 1.00 19.31 ? 99 MET B C 1 ATOM 3047 O O . MET B 2 99 ? -21.656 -24.353 -16.347 1.00 19.25 ? 99 MET B O 1 ATOM 3048 C CB . MET B 2 99 ? -19.246 -23.940 -18.486 1.00 20.39 ? 99 MET B CB 1 ATOM 3049 C CG . MET B 2 99 ? -18.068 -24.958 -18.859 1.00 26.02 ? 99 MET B CG 1 ATOM 3050 S SD . MET B 2 99 ? -16.640 -23.870 -18.922 1.00 34.39 ? 99 MET B SD 1 ATOM 3051 C CE . MET B 2 99 ? -16.278 -23.904 -17.155 1.00 30.91 ? 99 MET B CE 1 ATOM 3052 O OXT . MET B 2 99 ? -22.417 -23.184 -17.939 1.00 20.36 ? 99 MET B OXT 1 HETATM 3053 C C1 . NAG C 3 . ? -0.726 6.836 -2.936 1.00 52.69 ? 288 NAG A C1 1 HETATM 3054 C C2 . NAG C 3 . ? -1.192 8.294 -3.160 1.00 61.59 ? 288 NAG A C2 1 HETATM 3055 C C3 . NAG C 3 . ? -2.379 8.500 -4.113 1.00 59.94 ? 288 NAG A C3 1 HETATM 3056 C C4 . NAG C 3 . ? -3.000 7.221 -4.677 1.00 58.71 ? 288 NAG A C4 1 HETATM 3057 C C5 . NAG C 3 . ? -2.749 6.087 -3.703 1.00 56.65 ? 288 NAG A C5 1 HETATM 3058 C C6 . NAG C 3 . ? -3.457 4.810 -4.115 1.00 55.90 ? 288 NAG A C6 1 HETATM 3059 C C7 . NAG C 3 . ? -1.056 10.187 -1.610 1.00 67.40 ? 288 NAG A C7 1 HETATM 3060 C C8 . NAG C 3 . ? -1.479 10.825 -0.307 1.00 67.50 ? 288 NAG A C8 1 HETATM 3061 N N2 . NAG C 3 . ? -1.534 8.970 -1.900 1.00 65.69 ? 288 NAG A N2 1 HETATM 3062 O O3 . NAG C 3 . ? -1.900 9.303 -5.166 1.00 64.68 ? 288 NAG A O3 1 HETATM 3063 O O4 . NAG C 3 . ? -4.391 7.349 -4.888 1.00 59.16 ? 288 NAG A O4 1 HETATM 3064 O O5 . NAG C 3 . ? -1.365 5.916 -3.787 1.00 53.70 ? 288 NAG A O5 1 HETATM 3065 O O6 . NAG C 3 . ? -3.013 4.505 -5.414 1.00 57.34 ? 288 NAG A O6 1 HETATM 3066 O O7 . NAG C 3 . ? -0.285 10.780 -2.368 1.00 69.07 ? 288 NAG A O7 1 HETATM 3067 C C1 . NAG D 3 . ? -7.067 1.498 6.270 1.00 28.96 ? 289 NAG A C1 1 HETATM 3068 C C2 . NAG D 3 . ? -7.206 2.726 5.408 1.00 32.02 ? 289 NAG A C2 1 HETATM 3069 C C3 . NAG D 3 . ? -6.345 3.751 6.091 1.00 35.22 ? 289 NAG A C3 1 HETATM 3070 C C4 . NAG D 3 . ? -6.641 4.011 7.531 1.00 36.05 ? 289 NAG A C4 1 HETATM 3071 C C5 . NAG D 3 . ? -6.498 2.662 8.202 1.00 38.08 ? 289 NAG A C5 1 HETATM 3072 C C6 . NAG D 3 . ? -6.663 2.795 9.700 1.00 39.72 ? 289 NAG A C6 1 HETATM 3073 C C7 . NAG D 3 . ? -7.521 2.896 2.954 1.00 38.92 ? 289 NAG A C7 1 HETATM 3074 C C8 . NAG D 3 . ? -6.946 2.795 1.568 1.00 39.49 ? 289 NAG A C8 1 HETATM 3075 N N2 . NAG D 3 . ? -6.750 2.622 4.038 1.00 30.63 ? 289 NAG A N2 1 HETATM 3076 O O3 . NAG D 3 . ? -6.345 4.928 5.346 1.00 35.83 ? 289 NAG A O3 1 HETATM 3077 O O4 . NAG D 3 . ? -5.634 4.853 8.048 1.00 41.08 ? 289 NAG A O4 1 HETATM 3078 O O5 . NAG D 3 . ? -7.439 1.775 7.620 1.00 30.80 ? 289 NAG A O5 1 HETATM 3079 O O6 . NAG D 3 . ? -7.933 3.322 9.959 1.00 42.67 ? 289 NAG A O6 1 HETATM 3080 O O7 . NAG D 3 . ? -8.709 3.226 3.055 1.00 41.83 ? 289 NAG A O7 1 HETATM 3081 C C1 . NAG E 3 . ? -6.279 5.932 8.731 1.00 49.58 ? 290 NAG A C1 1 HETATM 3082 C C2 . NAG E 3 . ? -5.361 6.655 9.737 1.00 51.62 ? 290 NAG A C2 1 HETATM 3083 C C3 . NAG E 3 . ? -5.932 8.003 10.155 1.00 53.56 ? 290 NAG A C3 1 HETATM 3084 C C4 . NAG E 3 . ? -6.430 8.776 8.935 1.00 54.28 ? 290 NAG A C4 1 HETATM 3085 C C5 . NAG E 3 . ? -7.488 7.863 8.304 1.00 53.15 ? 290 NAG A C5 1 HETATM 3086 C C6 . NAG E 3 . ? -8.319 8.520 7.220 1.00 50.13 ? 290 NAG A C6 1 HETATM 3087 C C7 . NAG E 3 . ? -4.209 5.259 11.340 1.00 53.30 ? 290 NAG A C7 1 HETATM 3088 C C8 . NAG E 3 . ? -3.022 5.529 10.454 1.00 52.75 ? 290 NAG A C8 1 HETATM 3089 N N2 . NAG E 3 . ? -5.316 5.856 10.936 1.00 51.98 ? 290 NAG A N2 1 HETATM 3090 O O3 . NAG E 3 . ? -4.915 8.666 10.860 1.00 53.55 ? 290 NAG A O3 1 HETATM 3091 O O4 . NAG E 3 . ? -7.007 10.017 9.313 1.00 57.00 ? 290 NAG A O4 1 HETATM 3092 O O5 . NAG E 3 . ? -6.794 6.775 7.723 1.00 49.00 ? 290 NAG A O5 1 HETATM 3093 O O6 . NAG E 3 . ? -7.432 9.061 6.272 1.00 54.35 ? 290 NAG A O6 1 HETATM 3094 O O7 . NAG E 3 . ? -4.178 4.537 12.361 1.00 50.94 ? 290 NAG A O7 1 HETATM 3095 C C1 . BMA F 4 . ? -6.456 11.150 8.583 1.00 57.00 ? 291 BMA A C1 1 HETATM 3096 C C2 . BMA F 4 . ? -7.523 12.257 8.620 1.00 55.25 ? 291 BMA A C2 1 HETATM 3097 C C3 . BMA F 4 . ? -7.017 13.627 8.172 1.00 55.58 ? 291 BMA A C3 1 HETATM 3098 C C4 . BMA F 4 . ? -5.723 13.946 8.896 1.00 58.95 ? 291 BMA A C4 1 HETATM 3099 C C5 . BMA F 4 . ? -4.824 12.830 8.405 1.00 60.43 ? 291 BMA A C5 1 HETATM 3100 C C6 . BMA F 4 . ? -3.334 13.092 8.575 1.00 61.10 ? 291 BMA A C6 1 HETATM 3101 O O2 . BMA F 4 . ? -8.028 12.329 9.938 1.00 55.14 ? 291 BMA A O2 1 HETATM 3102 O O3 . BMA F 4 . ? -8.016 14.608 8.397 1.00 52.83 ? 291 BMA A O3 1 HETATM 3103 O O4 . BMA F 4 . ? -5.230 15.210 8.520 1.00 61.02 ? 291 BMA A O4 1 HETATM 3104 O O5 . BMA F 4 . ? -5.240 11.666 9.115 1.00 60.05 ? 291 BMA A O5 1 HETATM 3105 O O6 . BMA F 4 . ? -2.839 12.086 9.439 1.00 63.56 ? 291 BMA A O6 1 HETATM 3106 C C1 . MAN G 5 . ? -8.539 15.052 7.122 1.00 47.67 ? 292 MAN A C1 1 HETATM 3107 C C2 . MAN G 5 . ? -9.231 16.387 7.386 1.00 47.27 ? 292 MAN A C2 1 HETATM 3108 C C3 . MAN G 5 . ? -10.420 16.223 8.314 1.00 41.57 ? 292 MAN A C3 1 HETATM 3109 C C4 . MAN G 5 . ? -11.325 15.151 7.724 1.00 37.84 ? 292 MAN A C4 1 HETATM 3110 C C5 . MAN G 5 . ? -10.547 13.864 7.427 1.00 40.02 ? 292 MAN A C5 1 HETATM 3111 C C6 . MAN G 5 . ? -11.559 12.902 6.809 1.00 37.27 ? 292 MAN A C6 1 HETATM 3112 O O2 . MAN G 5 . ? -9.710 16.835 6.155 1.00 49.83 ? 292 MAN A O2 1 HETATM 3113 O O3 . MAN G 5 . ? -11.166 17.433 8.328 1.00 40.21 ? 292 MAN A O3 1 HETATM 3114 O O4 . MAN G 5 . ? -12.351 14.845 8.676 1.00 33.57 ? 292 MAN A O4 1 HETATM 3115 O O5 . MAN G 5 . ? -9.476 14.140 6.535 1.00 46.43 ? 292 MAN A O5 1 HETATM 3116 O O6 . MAN G 5 . ? -10.909 11.658 6.644 1.00 33.40 ? 292 MAN A O6 1 HETATM 3117 C C1 . MAN H 5 . ? -8.802 17.877 5.747 1.00 60.19 ? 293 MAN A C1 1 HETATM 3118 C C2 . MAN H 5 . ? -9.514 18.696 4.671 1.00 62.76 ? 293 MAN A C2 1 HETATM 3119 C C3 . MAN H 5 . ? -9.715 17.825 3.450 1.00 63.89 ? 293 MAN A C3 1 HETATM 3120 C C4 . MAN H 5 . ? -8.309 17.454 3.024 1.00 65.51 ? 293 MAN A C4 1 HETATM 3121 C C5 . MAN H 5 . ? -7.761 16.521 4.119 1.00 64.98 ? 293 MAN A C5 1 HETATM 3122 C C6 . MAN H 5 . ? -6.532 15.694 3.681 1.00 64.66 ? 293 MAN A C6 1 HETATM 3123 O O2 . MAN H 5 . ? -8.678 19.765 4.273 1.00 65.88 ? 293 MAN A O2 1 HETATM 3124 O O3 . MAN H 5 . ? -10.356 18.533 2.422 1.00 64.97 ? 293 MAN A O3 1 HETATM 3125 O O4 . MAN H 5 . ? -8.326 16.870 1.739 1.00 67.25 ? 293 MAN A O4 1 HETATM 3126 O O5 . MAN H 5 . ? -7.558 17.337 5.277 1.00 62.69 ? 293 MAN A O5 1 HETATM 3127 O O6 . MAN H 5 . ? -6.413 14.488 4.420 1.00 60.10 ? 293 MAN A O6 1 HETATM 3128 C C1 . NAG I 3 . ? 5.768 -23.580 20.753 1.00 26.90 ? 294 NAG A C1 1 HETATM 3129 C C2 . NAG I 3 . ? 6.647 -23.437 21.996 1.00 25.95 ? 294 NAG A C2 1 HETATM 3130 C C3 . NAG I 3 . ? 8.074 -23.386 21.523 1.00 27.83 ? 294 NAG A C3 1 HETATM 3131 C C4 . NAG I 3 . ? 8.451 -24.562 20.580 1.00 26.52 ? 294 NAG A C4 1 HETATM 3132 C C5 . NAG I 3 . ? 7.407 -24.643 19.454 1.00 28.33 ? 294 NAG A C5 1 HETATM 3133 C C6 . NAG I 3 . ? 7.683 -25.890 18.564 1.00 28.37 ? 294 NAG A C6 1 HETATM 3134 C C7 . NAG I 3 . ? 5.423 -22.259 23.769 1.00 24.71 ? 294 NAG A C7 1 HETATM 3135 C C8 . NAG I 3 . ? 5.224 -20.983 24.554 1.00 25.88 ? 294 NAG A C8 1 HETATM 3136 N N2 . NAG I 3 . ? 6.359 -22.259 22.835 1.00 24.49 ? 294 NAG A N2 1 HETATM 3137 O O3 . NAG I 3 . ? 8.847 -23.404 22.679 1.00 28.52 ? 294 NAG A O3 1 HETATM 3138 O O4 . NAG I 3 . ? 9.691 -24.331 19.898 1.00 27.87 ? 294 NAG A O4 1 HETATM 3139 O O5 . NAG I 3 . ? 6.136 -24.790 20.033 1.00 25.09 ? 294 NAG A O5 1 HETATM 3140 O O6 . NAG I 3 . ? 6.653 -26.048 17.589 1.00 29.58 ? 294 NAG A O6 1 HETATM 3141 O O7 . NAG I 3 . ? 4.684 -23.253 23.961 1.00 28.46 ? 294 NAG A O7 1 HETATM 3142 C C1 . NAG J 3 . ? 10.798 -25.052 20.491 1.00 31.15 ? 295 NAG A C1 1 HETATM 3143 C C2 . NAG J 3 . ? 11.910 -25.191 19.483 1.00 31.48 ? 295 NAG A C2 1 HETATM 3144 C C3 . NAG J 3 . ? 13.131 -25.860 20.161 1.00 34.36 ? 295 NAG A C3 1 HETATM 3145 C C4 . NAG J 3 . ? 13.561 -25.097 21.408 1.00 36.13 ? 295 NAG A C4 1 HETATM 3146 C C5 . NAG J 3 . ? 12.359 -24.818 22.301 1.00 36.30 ? 295 NAG A C5 1 HETATM 3147 C C6 . NAG J 3 . ? 12.734 -23.856 23.462 1.00 32.79 ? 295 NAG A C6 1 HETATM 3148 C C7 . NAG J 3 . ? 11.789 -25.607 17.137 1.00 33.45 ? 295 NAG A C7 1 HETATM 3149 C C8 . NAG J 3 . ? 11.369 -26.405 15.935 1.00 34.51 ? 295 NAG A C8 1 HETATM 3150 N N2 . NAG J 3 . ? 11.461 -26.020 18.365 1.00 30.37 ? 295 NAG A N2 1 HETATM 3151 O O3 . NAG J 3 . ? 14.216 -25.827 19.264 1.00 32.51 ? 295 NAG A O3 1 HETATM 3152 O O4 . NAG J 3 . ? 14.524 -25.849 22.158 1.00 38.15 ? 295 NAG A O4 1 HETATM 3153 O O5 . NAG J 3 . ? 11.305 -24.231 21.537 1.00 31.65 ? 295 NAG A O5 1 HETATM 3154 O O6 . NAG J 3 . ? 11.629 -23.287 24.176 1.00 36.87 ? 295 NAG A O6 1 HETATM 3155 O O7 . NAG J 3 . ? 12.414 -24.571 16.982 1.00 35.41 ? 295 NAG A O7 1 HETATM 3156 C C1 . BMA K 4 . ? 15.838 -25.358 22.010 1.00 38.52 ? 296 BMA A C1 1 HETATM 3157 C C2 . BMA K 4 . ? 16.635 -25.564 23.284 1.00 38.12 ? 296 BMA A C2 1 HETATM 3158 C C3 . BMA K 4 . ? 18.128 -25.386 23.064 1.00 41.82 ? 296 BMA A C3 1 HETATM 3159 C C4 . BMA K 4 . ? 18.624 -26.196 21.872 1.00 35.88 ? 296 BMA A C4 1 HETATM 3160 C C5 . BMA K 4 . ? 17.725 -25.956 20.657 1.00 34.91 ? 296 BMA A C5 1 HETATM 3161 C C6 . BMA K 4 . ? 18.010 -26.980 19.536 1.00 32.66 ? 296 BMA A C6 1 HETATM 3162 O O2 . BMA K 4 . ? 16.483 -26.919 23.566 1.00 35.95 ? 296 BMA A O2 1 HETATM 3163 O O3 . BMA K 4 . ? 18.790 -25.941 24.189 1.00 46.23 ? 296 BMA A O3 1 HETATM 3164 O O4 . BMA K 4 . ? 19.940 -25.759 21.594 1.00 34.53 ? 296 BMA A O4 1 HETATM 3165 O O5 . BMA K 4 . ? 16.375 -26.162 20.991 1.00 34.78 ? 296 BMA A O5 1 HETATM 3166 O O6 . BMA K 4 . ? 17.257 -26.459 18.428 1.00 32.33 ? 296 BMA A O6 1 HETATM 3167 C C1 . MAN L 5 . ? 17.876 -26.880 17.185 1.00 29.91 ? 297 MAN A C1 1 HETATM 3168 C C2 . MAN L 5 . ? 17.055 -26.297 16.052 1.00 32.84 ? 297 MAN A C2 1 HETATM 3169 C C3 . MAN L 5 . ? 15.621 -26.805 16.099 1.00 31.22 ? 297 MAN A C3 1 HETATM 3170 C C4 . MAN L 5 . ? 15.597 -28.304 16.108 1.00 32.70 ? 297 MAN A C4 1 HETATM 3171 C C5 . MAN L 5 . ? 16.536 -28.866 17.170 1.00 35.10 ? 297 MAN A C5 1 HETATM 3172 C C6 . MAN L 5 . ? 16.653 -30.388 17.015 1.00 38.93 ? 297 MAN A C6 1 HETATM 3173 O O2 . MAN L 5 . ? 17.631 -26.633 14.783 1.00 33.89 ? 297 MAN A O2 1 HETATM 3174 O O3 . MAN L 5 . ? 15.051 -26.492 14.843 1.00 34.87 ? 297 MAN A O3 1 HETATM 3175 O O4 . MAN L 5 . ? 14.242 -28.699 16.329 1.00 37.32 ? 297 MAN A O4 1 HETATM 3176 O O5 . MAN L 5 . ? 17.838 -28.274 17.056 1.00 32.69 ? 297 MAN A O5 1 HETATM 3177 O O6 . MAN L 5 . ? 17.584 -30.827 18.023 1.00 43.38 ? 297 MAN A O6 1 HETATM 3178 C C1 . MAN M 5 . ? 19.273 -24.830 24.930 1.00 52.06 ? 298 MAN A C1 1 HETATM 3179 C C2 . MAN M 5 . ? 20.341 -25.367 25.860 1.00 53.29 ? 298 MAN A C2 1 HETATM 3180 C C3 . MAN M 5 . ? 19.627 -26.339 26.813 1.00 55.23 ? 298 MAN A C3 1 HETATM 3181 C C4 . MAN M 5 . ? 18.613 -25.544 27.644 1.00 56.21 ? 298 MAN A C4 1 HETATM 3182 C C5 . MAN M 5 . ? 17.605 -25.001 26.624 1.00 55.29 ? 298 MAN A C5 1 HETATM 3183 C C6 . MAN M 5 . ? 16.416 -24.261 27.242 1.00 56.88 ? 298 MAN A C6 1 HETATM 3184 O O2 . MAN M 5 . ? 20.777 -24.184 26.473 1.00 53.13 ? 298 MAN A O2 1 HETATM 3185 O O3 . MAN M 5 . ? 20.514 -27.136 27.589 1.00 58.08 ? 298 MAN A O3 1 HETATM 3186 O O4 . MAN M 5 . ? 17.915 -26.379 28.540 1.00 55.30 ? 298 MAN A O4 1 HETATM 3187 O O5 . MAN M 5 . ? 18.266 -24.157 25.691 1.00 54.27 ? 298 MAN A O5 1 HETATM 3188 O O6 . MAN M 5 . ? 15.338 -24.233 26.301 1.00 56.91 ? 298 MAN A O6 1 HETATM 3189 C C1 . FUC N 6 . ? 7.033 -25.572 16.252 1.00 33.90 ? 299 FUC A C1 1 HETATM 3190 C C2 . FUC N 6 . ? 6.032 -26.106 15.241 1.00 34.74 ? 299 FUC A C2 1 HETATM 3191 C C3 . FUC N 6 . ? 4.632 -25.663 15.703 1.00 38.81 ? 299 FUC A C3 1 HETATM 3192 C C4 . FUC N 6 . ? 4.554 -24.131 15.599 1.00 39.35 ? 299 FUC A C4 1 HETATM 3193 C C5 . FUC N 6 . ? 5.745 -23.523 16.361 1.00 37.30 ? 299 FUC A C5 1 HETATM 3194 C C6 . FUC N 6 . ? 5.880 -22.053 16.005 1.00 36.13 ? 299 FUC A C6 1 HETATM 3195 O O2 . FUC N 6 . ? 6.081 -27.524 15.206 1.00 37.32 ? 299 FUC A O2 1 HETATM 3196 O O3 . FUC N 6 . ? 3.584 -26.349 14.987 1.00 41.04 ? 299 FUC A O3 1 HETATM 3197 O O4 . FUC N 6 . ? 4.679 -23.707 14.254 1.00 36.84 ? 299 FUC A O4 1 HETATM 3198 O O5 . FUC N 6 . ? 6.977 -24.172 16.061 1.00 35.01 ? 299 FUC A O5 1 HETATM 3199 C C17 . PBS O 7 . ? 8.810 -5.955 3.812 1.00 32.42 ? 300 PBS A C17 1 HETATM 3200 C C16 . PBS O 7 . ? 9.034 -6.898 4.967 1.00 34.33 ? 300 PBS A C16 1 HETATM 3201 C C15 . PBS O 7 . ? 8.400 -8.289 4.804 1.00 32.04 ? 300 PBS A C15 1 HETATM 3202 C C14 . PBS O 7 . ? 7.650 -8.519 6.129 1.00 39.99 ? 300 PBS A C14 1 HETATM 3203 C C13 . PBS O 7 . ? 7.942 -9.815 6.801 1.00 39.98 ? 300 PBS A C13 1 HETATM 3204 C C12 . PBS O 7 . ? 8.155 -9.610 8.270 1.00 43.68 ? 300 PBS A C12 1 HETATM 3205 C C11 . PBS O 7 . ? 7.118 -10.406 9.022 1.00 39.39 ? 300 PBS A C11 1 HETATM 3206 C C10 . PBS O 7 . ? 6.248 -9.379 9.656 1.00 39.53 ? 300 PBS A C10 1 HETATM 3207 C C9 . PBS O 7 . ? 5.715 -9.968 10.928 1.00 30.76 ? 300 PBS A C9 1 HETATM 3208 C C8 . PBS O 7 . ? 5.721 -8.797 11.851 1.00 32.26 ? 300 PBS A C8 1 HETATM 3209 C C7 . PBS O 7 . ? 4.588 -9.193 12.783 1.00 29.78 ? 300 PBS A C7 1 HETATM 3210 C C6 . PBS O 7 . ? 4.625 -8.451 14.110 1.00 30.09 ? 300 PBS A C6 1 HETATM 3211 C C5 . PBS O 7 . ? 4.376 -6.980 13.910 1.00 28.19 ? 300 PBS A C5 1 HETATM 3212 C C4 . PBS O 7 . ? 4.024 -6.258 15.219 1.00 27.78 ? 300 PBS A C4 1 HETATM 3213 C C3 . PBS O 7 . ? 5.104 -6.385 16.295 1.00 28.29 ? 300 PBS A C3 1 HETATM 3214 O O32 . PBS O 7 . ? 6.317 -5.949 15.662 1.00 28.04 ? 300 PBS A O32 1 HETATM 3215 C C2 . PBS O 7 . ? 4.845 -5.522 17.524 1.00 27.51 ? 300 PBS A C2 1 HETATM 3216 O O1 . PBS O 7 . ? 4.876 -4.131 17.150 1.00 26.45 ? 300 PBS A O1 1 HETATM 3217 C C1 . PBS O 7 . ? 3.510 -5.716 18.189 1.00 26.13 ? 300 PBS A C1 1 HETATM 3218 N N . PBS O 7 . ? 3.406 -7.127 18.606 1.00 25.86 ? 300 PBS A N 1 HETATM 3219 C C18 . PBS O 7 . ? 2.208 -7.697 18.613 1.00 26.52 ? 300 PBS A C18 1 HETATM 3220 O O2 . PBS O 7 . ? 1.180 -7.080 18.196 1.00 26.97 ? 300 PBS A O2 1 HETATM 3221 C C19 . PBS O 7 . ? 2.270 -9.120 19.099 1.00 23.75 ? 300 PBS A C19 1 HETATM 3222 C C20 . PBS O 7 . ? 1.219 -9.980 18.413 1.00 25.53 ? 300 PBS A C20 1 HETATM 3223 C C21 . PBS O 7 . ? 1.836 -10.267 17.044 1.00 25.54 ? 300 PBS A C21 1 HETATM 3224 C C22 . PBS O 7 . ? 0.976 -11.176 16.130 1.00 27.33 ? 300 PBS A C22 1 HETATM 3225 C C23 . PBS O 7 . ? 1.684 -11.254 14.765 1.00 28.69 ? 300 PBS A C23 1 HETATM 3226 C C24 . PBS O 7 . ? 0.806 -12.162 13.926 1.00 33.00 ? 300 PBS A C24 1 HETATM 3227 C C25 . PBS O 7 . ? 1.372 -12.296 12.539 1.00 32.97 ? 300 PBS A C25 1 HETATM 3228 C C . PBS O 7 . ? 3.454 -4.832 19.486 1.00 29.44 ? 300 PBS A C 1 HETATM 3229 O OC1 . PBS O 7 . ? 4.521 -5.195 20.406 1.00 31.24 ? 300 PBS A OC1 1 HETATM 3230 C CG1 . PBS O 7 . ? 4.578 -4.649 21.743 1.00 32.79 ? 300 PBS A CG1 1 HETATM 3231 O OG . PBS O 7 . ? 3.444 -5.103 22.448 1.00 31.07 ? 300 PBS A OG 1 HETATM 3232 C CG . PBS O 7 . ? 3.405 -6.522 22.794 1.00 35.18 ? 300 PBS A CG 1 HETATM 3233 C CG5 . PBS O 7 . ? 2.118 -6.740 23.597 1.00 40.65 ? 300 PBS A CG5 1 HETATM 3234 O OG6 . PBS O 7 . ? 1.096 -6.000 22.894 1.00 45.87 ? 300 PBS A OG6 1 HETATM 3235 C CG4 . PBS O 7 . ? 4.623 -7.060 23.548 1.00 30.80 ? 300 PBS A CG4 1 HETATM 3236 O OG5 . PBS O 7 . ? 4.758 -6.469 24.847 1.00 32.38 ? 300 PBS A OG5 1 HETATM 3237 C CG3 . PBS O 7 . ? 5.854 -6.645 22.734 1.00 26.81 ? 300 PBS A CG3 1 HETATM 3238 O OG4 . PBS O 7 . ? 7.014 -6.986 23.497 1.00 31.47 ? 300 PBS A OG4 1 HETATM 3239 C CG2 . PBS O 7 . ? 5.834 -5.148 22.455 1.00 30.81 ? 300 PBS A CG2 1 HETATM 3240 O OG3 . PBS O 7 . ? 7.002 -4.764 21.685 1.00 30.79 ? 300 PBS A OG3 1 HETATM 3241 C C1 . PLM P 8 . ? -5.136 -10.563 10.793 1.00 46.29 ? 301 PLM A C1 1 HETATM 3242 O O1 . PLM P 8 . ? -4.692 -11.279 9.875 1.00 43.25 ? 301 PLM A O1 1 HETATM 3243 O O2 . PLM P 8 . ? -4.771 -9.355 10.743 1.00 46.38 ? 301 PLM A O2 1 HETATM 3244 C C2 . PLM P 8 . ? -6.090 -11.099 11.867 1.00 48.18 ? 301 PLM A C2 1 HETATM 3245 C C3 . PLM P 8 . ? -7.331 -11.849 11.328 1.00 47.75 ? 301 PLM A C3 1 HETATM 3246 C C4 . PLM P 8 . ? -8.390 -12.255 12.382 1.00 46.56 ? 301 PLM A C4 1 HETATM 3247 C C5 . PLM P 8 . ? -8.128 -13.562 13.156 1.00 45.24 ? 301 PLM A C5 1 HETATM 3248 C C6 . PLM P 8 . ? -9.370 -14.121 13.850 1.00 44.14 ? 301 PLM A C6 1 HETATM 3249 C C7 . PLM P 8 . ? -9.254 -15.424 14.675 1.00 43.80 ? 301 PLM A C7 1 HETATM 3250 C C8 . PLM P 8 . ? -7.890 -15.793 15.307 1.00 43.88 ? 301 PLM A C8 1 HETATM 3251 C C9 . PLM P 8 . ? -7.960 -16.990 16.277 1.00 41.79 ? 301 PLM A C9 1 HETATM 3252 C CA . PLM P 8 . ? -6.630 -17.561 16.824 1.00 36.30 ? 301 PLM A CA 1 HETATM 3253 C CB . PLM P 8 . ? -5.310 -17.072 16.213 1.00 38.99 ? 301 PLM A CB 1 HETATM 3254 C CC . PLM P 8 . ? -4.654 -18.096 15.319 1.00 39.18 ? 301 PLM A CC 1 HETATM 3255 C CD . PLM P 8 . ? -3.466 -17.593 14.509 1.00 40.14 ? 301 PLM A CD 1 HETATM 3256 C CE . PLM P 8 . ? -3.249 -16.081 14.477 1.00 43.46 ? 301 PLM A CE 1 HETATM 3257 C CF . PLM P 8 . ? -3.120 -15.596 13.030 1.00 45.25 ? 301 PLM A CF 1 HETATM 3258 C CG . PLM P 8 . ? -3.267 -14.100 12.742 1.00 44.29 ? 301 PLM A CG 1 HETATM 3259 C C1 . EDO Q 9 . ? -16.919 -24.221 -0.862 1.00 25.16 ? 302 EDO A C1 1 HETATM 3260 O O1 . EDO Q 9 . ? -17.280 -23.173 0.060 1.00 30.33 ? 302 EDO A O1 1 HETATM 3261 C C2 . EDO Q 9 . ? -17.129 -23.684 -2.265 1.00 21.02 ? 302 EDO A C2 1 HETATM 3262 O O2 . EDO Q 9 . ? -17.978 -22.582 -2.415 1.00 22.19 ? 302 EDO A O2 1 HETATM 3263 C C1 . EDO R 9 . ? -13.385 -26.846 -15.580 1.00 34.99 ? 303 EDO A C1 1 HETATM 3264 O O1 . EDO R 9 . ? -12.036 -26.737 -15.121 1.00 41.94 ? 303 EDO A O1 1 HETATM 3265 C C2 . EDO R 9 . ? -14.265 -27.239 -14.373 1.00 31.45 ? 303 EDO A C2 1 HETATM 3266 O O2 . EDO R 9 . ? -14.027 -28.515 -13.771 1.00 25.45 ? 303 EDO A O2 1 HETATM 3267 C C1 A EDO S 9 . ? -15.824 -18.599 -3.028 0.50 27.86 ? 304 EDO A C1 1 HETATM 3268 C C1 B EDO S 9 . ? -15.244 -18.901 -3.535 0.50 25.53 ? 304 EDO A C1 1 HETATM 3269 O O1 A EDO S 9 . ? -15.385 -19.319 -1.860 0.50 31.53 ? 304 EDO A O1 1 HETATM 3270 O O1 B EDO S 9 . ? -15.117 -20.010 -2.621 0.50 26.85 ? 304 EDO A O1 1 HETATM 3271 C C2 A EDO S 9 . ? -14.656 -17.737 -3.437 0.50 29.96 ? 304 EDO A C2 1 HETATM 3272 C C2 B EDO S 9 . ? -15.325 -17.569 -2.823 0.50 26.22 ? 304 EDO A C2 1 HETATM 3273 O O2 A EDO S 9 . ? -13.883 -17.477 -2.268 0.50 29.43 ? 304 EDO A O2 1 HETATM 3274 O O2 B EDO S 9 . ? -16.033 -17.669 -1.578 0.50 27.27 ? 304 EDO A O2 1 HETATM 3275 C C1 . EDO T 9 . ? -16.460 -20.687 -21.108 1.00 26.14 ? 100 EDO B C1 1 HETATM 3276 O O1 . EDO T 9 . ? -17.736 -20.688 -20.397 1.00 20.53 ? 100 EDO B O1 1 HETATM 3277 C C2 . EDO T 9 . ? -15.285 -19.977 -20.399 1.00 30.01 ? 100 EDO B C2 1 HETATM 3278 O O2 . EDO T 9 . ? -15.025 -20.413 -19.037 1.00 22.89 ? 100 EDO B O2 1 HETATM 3279 O O . HOH U 10 . ? -27.109 -35.988 -24.077 1.00 49.24 ? 305 HOH A O 1 HETATM 3280 O O . HOH U 10 . ? -15.571 -29.891 1.649 1.00 17.65 ? 306 HOH A O 1 HETATM 3281 O O . HOH U 10 . ? 19.987 -7.424 6.242 1.00 15.05 ? 307 HOH A O 1 HETATM 3282 O O . HOH U 10 . ? -9.019 -28.323 -8.380 1.00 19.96 ? 308 HOH A O 1 HETATM 3283 O O . HOH U 10 . ? 12.117 -15.773 -0.996 1.00 18.72 ? 309 HOH A O 1 HETATM 3284 O O . HOH U 10 . ? 5.467 -21.626 10.279 1.00 20.17 ? 310 HOH A O 1 HETATM 3285 O O . HOH U 10 . ? -24.659 -32.969 11.362 1.00 42.21 ? 311 HOH A O 1 HETATM 3286 O O . HOH U 10 . ? 12.830 7.684 4.330 1.00 28.48 ? 312 HOH A O 1 HETATM 3287 O O . HOH U 10 . ? -23.407 -41.802 -4.493 1.00 20.19 ? 313 HOH A O 1 HETATM 3288 O O . HOH U 10 . ? -9.152 -23.222 -11.496 1.00 18.40 ? 314 HOH A O 1 HETATM 3289 O O . HOH U 10 . ? -2.926 2.943 7.574 1.00 39.83 ? 315 HOH A O 1 HETATM 3290 O O . HOH U 10 . ? -18.679 -12.100 28.292 1.00 26.31 ? 316 HOH A O 1 HETATM 3291 O O . HOH U 10 . ? -26.398 -32.823 -25.078 1.00 66.74 ? 317 HOH A O 1 HETATM 3292 O O . HOH U 10 . ? -13.697 -21.406 20.287 1.00 20.15 ? 318 HOH A O 1 HETATM 3293 O O . HOH U 10 . ? 3.039 -10.857 -1.193 1.00 19.08 ? 319 HOH A O 1 HETATM 3294 O O . HOH U 10 . ? -17.459 -19.726 2.472 1.00 18.27 ? 320 HOH A O 1 HETATM 3295 O O . HOH U 10 . ? 14.834 -21.962 20.579 1.00 39.07 ? 321 HOH A O 1 HETATM 3296 O O . HOH U 10 . ? -26.846 -27.965 -3.985 1.00 18.20 ? 322 HOH A O 1 HETATM 3297 O O . HOH U 10 . ? 6.856 -18.328 -3.012 1.00 17.87 ? 323 HOH A O 1 HETATM 3298 O O . HOH U 10 . ? -19.316 -19.855 -1.792 1.00 15.43 ? 324 HOH A O 1 HETATM 3299 O O . HOH U 10 . ? -2.168 -20.109 2.370 1.00 28.64 ? 325 HOH A O 1 HETATM 3300 O O . HOH U 10 . ? -22.274 -23.592 4.374 1.00 24.71 ? 326 HOH A O 1 HETATM 3301 O O . HOH U 10 . ? -26.948 -31.497 5.553 1.00 29.55 ? 327 HOH A O 1 HETATM 3302 O O . HOH U 10 . ? 9.297 -11.529 17.941 1.00 20.46 ? 328 HOH A O 1 HETATM 3303 O O . HOH U 10 . ? 7.423 -2.789 16.989 1.00 42.93 ? 329 HOH A O 1 HETATM 3304 O O . HOH U 10 . ? -30.010 -40.192 -18.865 1.00 25.66 ? 330 HOH A O 1 HETATM 3305 O O . HOH U 10 . ? -21.501 -14.795 19.066 1.00 27.73 ? 331 HOH A O 1 HETATM 3306 O O . HOH U 10 . ? -18.280 -35.766 0.015 1.00 28.07 ? 332 HOH A O 1 HETATM 3307 O O . HOH U 10 . ? -12.419 -54.087 -21.780 1.00 39.64 ? 333 HOH A O 1 HETATM 3308 O O . HOH U 10 . ? 17.611 -13.159 3.764 1.00 34.90 ? 334 HOH A O 1 HETATM 3309 O O . HOH U 10 . ? 14.059 -17.263 20.273 1.00 40.23 ? 335 HOH A O 1 HETATM 3310 O O . HOH U 10 . ? -20.633 -19.646 18.638 1.00 25.64 ? 336 HOH A O 1 HETATM 3311 O O . HOH U 10 . ? 13.108 -5.408 18.766 1.00 32.87 ? 337 HOH A O 1 HETATM 3312 O O A HOH U 10 . ? 4.449 -21.067 1.925 0.50 16.14 ? 338 HOH A O 1 HETATM 3313 O O B HOH U 10 . ? 4.911 -21.166 0.060 0.50 16.99 ? 338 HOH A O 1 HETATM 3314 O O . HOH U 10 . ? -24.418 -29.393 -25.724 1.00 36.06 ? 339 HOH A O 1 HETATM 3315 O O . HOH U 10 . ? 15.460 -19.464 17.142 1.00 48.58 ? 340 HOH A O 1 HETATM 3316 O O . HOH U 10 . ? -18.196 -50.725 -12.157 1.00 25.28 ? 341 HOH A O 1 HETATM 3317 O O . HOH U 10 . ? 5.606 -17.395 -5.237 1.00 27.69 ? 342 HOH A O 1 HETATM 3318 O O . HOH U 10 . ? -12.591 -35.925 -4.868 1.00 28.08 ? 343 HOH A O 1 HETATM 3319 O O . HOH U 10 . ? -16.952 -20.411 -0.282 1.00 17.42 ? 344 HOH A O 1 HETATM 3320 O O . HOH U 10 . ? 8.590 -27.344 7.723 1.00 51.59 ? 345 HOH A O 1 HETATM 3321 O O . HOH U 10 . ? -25.814 -30.639 8.666 1.00 35.31 ? 346 HOH A O 1 HETATM 3322 O O . HOH U 10 . ? -10.338 -26.076 -5.607 1.00 33.02 ? 347 HOH A O 1 HETATM 3323 O O . HOH U 10 . ? 15.885 -28.799 21.001 1.00 67.57 ? 348 HOH A O 1 HETATM 3324 O O . HOH U 10 . ? -21.501 -16.496 21.275 1.00 38.28 ? 349 HOH A O 1 HETATM 3325 O O . HOH U 10 . ? -2.218 -26.410 22.806 1.00 40.19 ? 350 HOH A O 1 HETATM 3326 O O . HOH U 10 . ? -29.862 -39.710 -6.681 1.00 39.31 ? 351 HOH A O 1 HETATM 3327 O O . HOH U 10 . ? 2.481 -15.129 -6.255 1.00 27.27 ? 352 HOH A O 1 HETATM 3328 O O . HOH U 10 . ? -20.664 -17.182 17.369 1.00 19.56 ? 353 HOH A O 1 HETATM 3329 O O . HOH U 10 . ? 8.551 -6.016 17.385 1.00 32.11 ? 354 HOH A O 1 HETATM 3330 O O . HOH U 10 . ? 17.676 -11.138 17.644 1.00 24.74 ? 355 HOH A O 1 HETATM 3331 O O . HOH U 10 . ? 7.338 -21.984 -1.402 1.00 32.67 ? 356 HOH A O 1 HETATM 3332 O O . HOH U 10 . ? -14.801 -6.288 8.097 1.00 22.79 ? 357 HOH A O 1 HETATM 3333 O O . HOH U 10 . ? -13.734 -38.108 -10.189 1.00 31.63 ? 358 HOH A O 1 HETATM 3334 O O . HOH U 10 . ? -15.473 -30.415 4.390 1.00 30.44 ? 359 HOH A O 1 HETATM 3335 O O . HOH U 10 . ? 6.162 -23.780 8.603 1.00 30.66 ? 360 HOH A O 1 HETATM 3336 O O . HOH U 10 . ? -17.212 -36.756 2.122 1.00 27.91 ? 361 HOH A O 1 HETATM 3337 O O . HOH U 10 . ? -18.574 -17.062 -2.051 1.00 34.63 ? 362 HOH A O 1 HETATM 3338 O O . HOH U 10 . ? -5.579 -0.335 18.151 1.00 42.51 ? 363 HOH A O 1 HETATM 3339 O O . HOH U 10 . ? -4.220 -3.069 -4.140 1.00 45.72 ? 364 HOH A O 1 HETATM 3340 O O . HOH U 10 . ? -11.339 -33.854 -2.715 1.00 47.14 ? 365 HOH A O 1 HETATM 3341 O O . HOH U 10 . ? -19.752 -32.020 5.159 1.00 17.84 ? 366 HOH A O 1 HETATM 3342 O O . HOH U 10 . ? -28.495 -34.642 -12.165 1.00 26.34 ? 367 HOH A O 1 HETATM 3343 O O . HOH U 10 . ? -9.250 -28.318 5.634 1.00 31.95 ? 368 HOH A O 1 HETATM 3344 O O . HOH U 10 . ? -11.441 -40.313 -10.338 1.00 55.55 ? 369 HOH A O 1 HETATM 3345 O O . HOH U 10 . ? -19.215 -36.858 4.058 1.00 23.69 ? 370 HOH A O 1 HETATM 3346 O O . HOH U 10 . ? 17.697 -17.894 7.808 1.00 28.69 ? 371 HOH A O 1 HETATM 3347 O O . HOH U 10 . ? -10.812 1.096 11.269 1.00 61.84 ? 372 HOH A O 1 HETATM 3348 O O . HOH U 10 . ? 7.552 -6.026 26.068 1.00 34.73 ? 373 HOH A O 1 HETATM 3349 O O . HOH U 10 . ? -12.891 -28.894 5.405 1.00 41.18 ? 374 HOH A O 1 HETATM 3350 O O . HOH U 10 . ? -7.702 -25.796 -8.577 1.00 36.03 ? 375 HOH A O 1 HETATM 3351 O O . HOH U 10 . ? -17.885 -16.890 2.101 1.00 29.11 ? 376 HOH A O 1 HETATM 3352 O O . HOH U 10 . ? -24.409 -21.281 15.602 1.00 38.81 ? 377 HOH A O 1 HETATM 3353 O O . HOH U 10 . ? 9.716 -7.377 24.742 1.00 27.22 ? 378 HOH A O 1 HETATM 3354 O O . HOH U 10 . ? -22.119 -14.783 23.008 1.00 38.59 ? 379 HOH A O 1 HETATM 3355 O O . HOH U 10 . ? -2.245 -1.469 6.528 1.00 22.69 ? 380 HOH A O 1 HETATM 3356 O O . HOH U 10 . ? 13.701 -21.803 0.114 1.00 27.20 ? 381 HOH A O 1 HETATM 3357 O O . HOH U 10 . ? 17.331 -2.621 7.861 1.00 34.52 ? 382 HOH A O 1 HETATM 3358 O O . HOH U 10 . ? 15.743 -13.149 -3.420 1.00 34.41 ? 383 HOH A O 1 HETATM 3359 O O . HOH U 10 . ? 12.460 -5.225 12.400 1.00 26.84 ? 384 HOH A O 1 HETATM 3360 O O . HOH U 10 . ? -13.956 -49.945 -14.771 1.00 35.12 ? 385 HOH A O 1 HETATM 3361 O O . HOH U 10 . ? -12.901 -39.526 -6.294 1.00 26.91 ? 386 HOH A O 1 HETATM 3362 O O . HOH U 10 . ? 16.724 -21.313 9.240 1.00 42.20 ? 387 HOH A O 1 HETATM 3363 O O . HOH U 10 . ? 17.795 -21.220 7.009 1.00 48.03 ? 388 HOH A O 1 HETATM 3364 O O . HOH U 10 . ? 4.328 -3.600 25.656 1.00 46.85 ? 389 HOH A O 1 HETATM 3365 O O . HOH U 10 . ? -22.662 -21.306 19.201 1.00 30.45 ? 390 HOH A O 1 HETATM 3366 O O . HOH U 10 . ? 17.379 -16.223 3.738 1.00 26.66 ? 391 HOH A O 1 HETATM 3367 O O . HOH U 10 . ? 19.073 -7.771 -0.376 1.00 26.63 ? 392 HOH A O 1 HETATM 3368 O O . HOH U 10 . ? -11.369 -8.948 3.793 1.00 22.92 ? 393 HOH A O 1 HETATM 3369 O O . HOH U 10 . ? 9.776 -2.827 -3.951 1.00 46.43 ? 394 HOH A O 1 HETATM 3370 O O . HOH U 10 . ? 8.584 -23.525 5.094 1.00 33.58 ? 395 HOH A O 1 HETATM 3371 O O . HOH U 10 . ? -8.633 -23.513 5.184 1.00 26.55 ? 396 HOH A O 1 HETATM 3372 O O . HOH U 10 . ? 0.861 -21.143 4.853 1.00 31.24 ? 397 HOH A O 1 HETATM 3373 O O . HOH U 10 . ? -5.679 -25.495 -13.402 1.00 33.67 ? 398 HOH A O 1 HETATM 3374 O O . HOH U 10 . ? -21.696 -9.273 26.732 1.00 28.97 ? 399 HOH A O 1 HETATM 3375 O O . HOH U 10 . ? -20.619 -14.542 26.304 1.00 30.62 ? 400 HOH A O 1 HETATM 3376 O O . HOH U 10 . ? -13.308 -22.130 25.191 1.00 45.43 ? 401 HOH A O 1 HETATM 3377 O O . HOH U 10 . ? -6.649 -2.068 14.105 1.00 20.60 ? 402 HOH A O 1 HETATM 3378 O O . HOH U 10 . ? -27.859 -33.336 -19.601 1.00 27.78 ? 403 HOH A O 1 HETATM 3379 O O . HOH U 10 . ? -17.177 -30.767 14.237 1.00 43.13 ? 404 HOH A O 1 HETATM 3380 O O . HOH U 10 . ? -0.636 -24.067 5.123 1.00 60.60 ? 405 HOH A O 1 HETATM 3381 O O . HOH U 10 . ? -9.858 -24.126 -9.014 1.00 22.74 ? 406 HOH A O 1 HETATM 3382 O O . HOH U 10 . ? 0.392 -2.052 -3.323 1.00 45.23 ? 407 HOH A O 1 HETATM 3383 O O . HOH U 10 . ? 14.187 -2.776 11.816 1.00 25.93 ? 408 HOH A O 1 HETATM 3384 O O . HOH U 10 . ? 4.110 -6.981 -5.761 1.00 32.25 ? 409 HOH A O 1 HETATM 3385 O O . HOH U 10 . ? -17.305 -40.280 -3.861 1.00 33.85 ? 410 HOH A O 1 HETATM 3386 O O . HOH U 10 . ? -21.968 -35.182 6.960 1.00 25.67 ? 411 HOH A O 1 HETATM 3387 O O . HOH U 10 . ? -5.495 -5.384 1.273 1.00 34.10 ? 412 HOH A O 1 HETATM 3388 O O . HOH U 10 . ? 10.194 -1.430 11.074 1.00 29.62 ? 413 HOH A O 1 HETATM 3389 O O . HOH U 10 . ? 10.824 -4.549 14.548 1.00 36.43 ? 414 HOH A O 1 HETATM 3390 O O . HOH U 10 . ? -8.035 -5.786 8.359 1.00 20.14 ? 415 HOH A O 1 HETATM 3391 O O . HOH U 10 . ? 11.973 4.236 10.292 1.00 24.89 ? 416 HOH A O 1 HETATM 3392 O O . HOH U 10 . ? -23.642 -46.635 -16.948 1.00 21.20 ? 417 HOH A O 1 HETATM 3393 O O . HOH U 10 . ? -20.450 -13.541 3.724 1.00 26.19 ? 418 HOH A O 1 HETATM 3394 O O . HOH U 10 . ? -18.385 -38.177 -1.806 1.00 29.96 ? 419 HOH A O 1 HETATM 3395 O O . HOH U 10 . ? 3.739 -10.386 25.465 1.00 36.88 ? 420 HOH A O 1 HETATM 3396 O O . HOH U 10 . ? -23.487 -46.664 -20.083 1.00 20.87 ? 421 HOH A O 1 HETATM 3397 O O . HOH U 10 . ? 13.155 -18.297 -1.580 1.00 20.38 ? 422 HOH A O 1 HETATM 3398 O O . HOH U 10 . ? 18.677 -6.641 17.741 1.00 34.91 ? 423 HOH A O 1 HETATM 3399 O O . HOH U 10 . ? -19.708 -16.637 4.297 1.00 48.90 ? 424 HOH A O 1 HETATM 3400 O O . HOH U 10 . ? -22.395 -18.806 5.274 1.00 37.91 ? 425 HOH A O 1 HETATM 3401 O O . HOH U 10 . ? 15.723 -9.762 23.661 1.00 33.33 ? 426 HOH A O 1 HETATM 3402 O O . HOH U 10 . ? -27.280 -25.903 -1.992 1.00 27.36 ? 427 HOH A O 1 HETATM 3403 O O . HOH U 10 . ? 17.821 -13.434 15.561 1.00 37.00 ? 428 HOH A O 1 HETATM 3404 O O . HOH U 10 . ? 4.402 6.464 5.992 1.00 39.95 ? 429 HOH A O 1 HETATM 3405 O O . HOH U 10 . ? -25.958 -24.063 -0.413 1.00 21.05 ? 430 HOH A O 1 HETATM 3406 O O . HOH U 10 . ? -12.089 -5.350 20.847 1.00 27.28 ? 431 HOH A O 1 HETATM 3407 O O . HOH U 10 . ? -13.196 -2.266 19.238 1.00 25.63 ? 432 HOH A O 1 HETATM 3408 O O . HOH U 10 . ? 21.145 -9.214 10.310 1.00 21.36 ? 433 HOH A O 1 HETATM 3409 O O A HOH U 10 . ? 17.804 -14.014 8.782 0.50 19.78 ? 434 HOH A O 1 HETATM 3410 O O B HOH U 10 . ? 16.539 -15.975 9.526 0.50 14.45 ? 434 HOH A O 1 HETATM 3411 O O . HOH U 10 . ? -2.656 -4.027 -5.646 1.00 27.97 ? 435 HOH A O 1 HETATM 3412 O O . HOH U 10 . ? 22.399 -8.313 7.329 1.00 20.58 ? 436 HOH A O 1 HETATM 3413 O O . HOH U 10 . ? 18.125 -4.260 5.850 1.00 32.33 ? 437 HOH A O 1 HETATM 3414 O O . HOH U 10 . ? 15.587 -16.946 -4.634 1.00 29.64 ? 438 HOH A O 1 HETATM 3415 O O . HOH U 10 . ? -31.044 -45.379 -7.263 1.00 44.22 ? 439 HOH A O 1 HETATM 3416 O O . HOH U 10 . ? 19.935 -13.800 1.472 1.00 49.15 ? 440 HOH A O 1 HETATM 3417 O O . HOH U 10 . ? -12.507 -22.431 22.601 1.00 32.60 ? 441 HOH A O 1 HETATM 3418 O O . HOH U 10 . ? 13.655 -18.484 -4.167 1.00 25.26 ? 442 HOH A O 1 HETATM 3419 O O . HOH U 10 . ? 12.434 -7.942 24.436 1.00 35.15 ? 443 HOH A O 1 HETATM 3420 O O . HOH U 10 . ? 10.089 -11.429 -2.596 1.00 38.96 ? 444 HOH A O 1 HETATM 3421 O O . HOH U 10 . ? -10.438 1.702 4.944 1.00 29.21 ? 445 HOH A O 1 HETATM 3422 O O . HOH U 10 . ? -25.020 -19.226 -5.860 1.00 21.89 ? 446 HOH A O 1 HETATM 3423 O O A HOH U 10 . ? 21.636 -6.476 2.869 0.50 32.83 ? 447 HOH A O 1 HETATM 3424 O O B HOH U 10 . ? -17.901 -6.960 2.914 0.50 52.18 ? 447 HOH A O 1 HETATM 3425 O O . HOH U 10 . ? -19.868 -9.139 12.290 1.00 28.36 ? 448 HOH A O 1 HETATM 3426 O O . HOH U 10 . ? 11.950 -13.615 -2.570 1.00 27.40 ? 449 HOH A O 1 HETATM 3427 O O . HOH U 10 . ? -6.378 -7.734 8.725 1.00 28.06 ? 450 HOH A O 1 HETATM 3428 O O . HOH U 10 . ? -12.933 -36.406 -8.477 1.00 25.38 ? 451 HOH A O 1 HETATM 3429 O O . HOH U 10 . ? -29.067 -30.985 -1.564 1.00 30.57 ? 452 HOH A O 1 HETATM 3430 O O . HOH U 10 . ? -13.352 -22.542 -0.581 1.00 33.18 ? 453 HOH A O 1 HETATM 3431 O O . HOH U 10 . ? -0.870 -26.913 16.485 1.00 31.92 ? 454 HOH A O 1 HETATM 3432 O O . HOH U 10 . ? -19.584 -14.819 -2.914 1.00 28.51 ? 455 HOH A O 1 HETATM 3433 O O . HOH U 10 . ? -4.543 -0.662 8.234 1.00 32.63 ? 456 HOH A O 1 HETATM 3434 O O . HOH U 10 . ? -13.409 -7.338 3.514 1.00 33.71 ? 457 HOH A O 1 HETATM 3435 O O . HOH U 10 . ? 10.799 -5.165 16.955 1.00 32.26 ? 458 HOH A O 1 HETATM 3436 O O . HOH U 10 . ? -29.751 -40.542 -12.061 1.00 30.95 ? 459 HOH A O 1 HETATM 3437 O O . HOH U 10 . ? -22.185 -15.310 5.892 1.00 32.49 ? 460 HOH A O 1 HETATM 3438 O O . HOH U 10 . ? -28.212 -35.512 1.561 1.00 32.18 ? 461 HOH A O 1 HETATM 3439 O O . HOH U 10 . ? 10.502 -18.882 -1.219 1.00 22.22 ? 462 HOH A O 1 HETATM 3440 O O . HOH U 10 . ? 19.982 -4.663 5.853 1.00 37.37 ? 463 HOH A O 1 HETATM 3441 O O . HOH U 10 . ? -25.453 -47.973 -16.129 1.00 26.03 ? 464 HOH A O 1 HETATM 3442 O O . HOH U 10 . ? 9.930 -14.823 24.280 1.00 35.22 ? 465 HOH A O 1 HETATM 3443 O O . HOH U 10 . ? 16.742 6.204 4.308 1.00 27.49 ? 466 HOH A O 1 HETATM 3444 O O . HOH U 10 . ? -27.249 -20.671 -5.367 1.00 25.61 ? 467 HOH A O 1 HETATM 3445 O O . HOH U 10 . ? -11.786 -28.191 0.402 1.00 45.74 ? 468 HOH A O 1 HETATM 3446 O O A HOH U 10 . ? 18.992 -17.107 1.414 0.50 34.35 ? 469 HOH A O 1 HETATM 3447 O O B HOH U 10 . ? -21.985 -18.465 0.928 0.50 42.97 ? 469 HOH A O 1 HETATM 3448 O O . HOH U 10 . ? -1.067 -7.530 19.603 1.00 23.28 ? 470 HOH A O 1 HETATM 3449 O O . HOH U 10 . ? -28.618 -29.985 -6.097 1.00 35.45 ? 471 HOH A O 1 HETATM 3450 O O . HOH U 10 . ? 6.883 4.499 4.619 1.00 27.40 ? 472 HOH A O 1 HETATM 3451 O O . HOH U 10 . ? 18.176 -12.605 10.799 1.00 28.29 ? 473 HOH A O 1 HETATM 3452 O O . HOH U 10 . ? -2.710 2.345 10.811 1.00 23.80 ? 474 HOH A O 1 HETATM 3453 O O . HOH U 10 . ? -3.736 0.010 10.728 1.00 35.94 ? 475 HOH A O 1 HETATM 3454 O O . HOH U 10 . ? -25.997 -43.595 -23.583 1.00 29.29 ? 476 HOH A O 1 HETATM 3455 O O . HOH U 10 . ? -15.789 -8.728 16.394 1.00 19.84 ? 477 HOH A O 1 HETATM 3456 O O . HOH U 10 . ? 2.489 2.969 3.422 1.00 29.93 ? 478 HOH A O 1 HETATM 3457 O O . HOH U 10 . ? -19.265 -18.221 21.790 1.00 24.97 ? 479 HOH A O 1 HETATM 3458 O O . HOH U 10 . ? -16.464 -31.852 12.284 1.00 43.85 ? 480 HOH A O 1 HETATM 3459 O O . HOH U 10 . ? -23.765 -24.850 13.126 1.00 34.84 ? 481 HOH A O 1 HETATM 3460 O O . HOH U 10 . ? -23.832 -22.780 17.429 1.00 32.05 ? 482 HOH A O 1 HETATM 3461 O O . HOH U 10 . ? -17.523 -5.627 11.714 1.00 30.92 ? 483 HOH A O 1 HETATM 3462 O O . HOH U 10 . ? -16.067 -14.258 0.350 1.00 25.10 ? 484 HOH A O 1 HETATM 3463 O O . HOH U 10 . ? -16.760 -28.776 6.149 1.00 24.48 ? 485 HOH A O 1 HETATM 3464 O O . HOH U 10 . ? -20.808 -53.327 -18.552 1.00 21.74 ? 486 HOH A O 1 HETATM 3465 O O . HOH U 10 . ? 16.324 -15.592 11.895 1.00 30.99 ? 487 HOH A O 1 HETATM 3466 O O . HOH U 10 . ? 17.338 -13.482 13.176 1.00 29.21 ? 488 HOH A O 1 HETATM 3467 O O . HOH U 10 . ? -3.859 -6.410 -0.579 1.00 37.19 ? 489 HOH A O 1 HETATM 3468 O O . HOH U 10 . ? -28.815 -33.030 1.166 1.00 40.59 ? 490 HOH A O 1 HETATM 3469 O O . HOH U 10 . ? -15.902 -27.640 -21.219 1.00 33.10 ? 491 HOH A O 1 HETATM 3470 O O . HOH U 10 . ? 13.323 -21.357 17.036 1.00 28.71 ? 492 HOH A O 1 HETATM 3471 O O . HOH U 10 . ? -6.524 0.138 12.142 1.00 49.85 ? 493 HOH A O 1 HETATM 3472 O O . HOH U 10 . ? -0.339 2.231 12.002 1.00 21.92 ? 494 HOH A O 1 HETATM 3473 O O . HOH U 10 . ? -22.088 -15.369 -2.294 1.00 38.03 ? 495 HOH A O 1 HETATM 3474 O O . HOH U 10 . ? 7.577 -1.983 -6.083 1.00 42.86 ? 496 HOH A O 1 HETATM 3475 O O . HOH U 10 . ? -29.338 -32.541 -16.347 1.00 42.31 ? 497 HOH A O 1 HETATM 3476 O O . HOH U 10 . ? -17.951 -8.894 18.168 1.00 27.55 ? 498 HOH A O 1 HETATM 3477 O O . HOH U 10 . ? -12.298 -25.355 23.122 1.00 43.29 ? 499 HOH A O 1 HETATM 3478 O O . HOH U 10 . ? -18.918 -10.541 20.111 1.00 32.63 ? 500 HOH A O 1 HETATM 3479 O O . HOH U 10 . ? -13.538 -15.458 -0.929 1.00 35.16 ? 501 HOH A O 1 HETATM 3480 O O . HOH U 10 . ? -23.739 -49.071 -23.964 1.00 68.39 ? 502 HOH A O 1 HETATM 3481 O O . HOH U 10 . ? 20.208 -29.634 18.468 1.00 38.41 ? 503 HOH A O 1 HETATM 3482 O O . HOH U 10 . ? -16.252 -0.571 12.119 1.00 33.67 ? 504 HOH A O 1 HETATM 3483 O O . HOH U 10 . ? -10.743 -34.815 -22.519 1.00 37.08 ? 505 HOH A O 1 HETATM 3484 O O . HOH U 10 . ? -14.460 -26.871 6.220 1.00 32.71 ? 506 HOH A O 1 HETATM 3485 O O . HOH U 10 . ? -30.165 -29.363 1.931 1.00 61.45 ? 507 HOH A O 1 HETATM 3486 O O . HOH U 10 . ? -22.355 -47.467 -14.541 1.00 25.17 ? 508 HOH A O 1 HETATM 3487 O O . HOH U 10 . ? -24.736 -15.667 16.942 1.00 38.74 ? 509 HOH A O 1 HETATM 3488 O O . HOH U 10 . ? 14.727 8.987 0.655 1.00 46.70 ? 510 HOH A O 1 HETATM 3489 O O . HOH U 10 . ? -25.519 -25.306 1.776 1.00 34.72 ? 511 HOH A O 1 HETATM 3490 O O A HOH U 10 . ? -10.699 -26.579 -1.161 0.50 16.03 ? 512 HOH A O 1 HETATM 3491 O O B HOH U 10 . ? -10.969 -24.775 -1.130 0.50 28.18 ? 512 HOH A O 1 HETATM 3492 O O . HOH U 10 . ? -23.388 -41.435 2.125 1.00 32.78 ? 513 HOH A O 1 HETATM 3493 O O . HOH U 10 . ? -22.498 -45.618 -4.882 1.00 28.83 ? 514 HOH A O 1 HETATM 3494 O O . HOH U 10 . ? -28.298 -22.294 -2.943 1.00 31.89 ? 515 HOH A O 1 HETATM 3495 O O . HOH U 10 . ? -9.302 -1.101 14.864 1.00 39.97 ? 516 HOH A O 1 HETATM 3496 O O . HOH U 10 . ? 15.293 -23.456 18.190 1.00 31.48 ? 517 HOH A O 1 HETATM 3497 O O . HOH U 10 . ? -12.793 -37.648 -12.855 1.00 37.45 ? 518 HOH A O 1 HETATM 3498 O O . HOH U 10 . ? -9.444 -25.091 -14.035 1.00 41.57 ? 519 HOH A O 1 HETATM 3499 O O . HOH U 10 . ? -16.639 -6.357 18.940 1.00 28.50 ? 520 HOH A O 1 HETATM 3500 O O . HOH U 10 . ? 12.895 -27.848 13.047 1.00 38.17 ? 521 HOH A O 1 HETATM 3501 O O . HOH U 10 . ? 10.238 -17.430 -7.999 1.00 33.66 ? 522 HOH A O 1 HETATM 3502 O O . HOH V 10 . ? -20.470 -6.070 -13.963 1.00 21.61 ? 101 HOH B O 1 HETATM 3503 O O . HOH V 10 . ? -19.385 -14.373 -5.669 1.00 23.32 ? 102 HOH B O 1 HETATM 3504 O O . HOH V 10 . ? -31.193 -21.886 -16.532 1.00 15.38 ? 103 HOH B O 1 HETATM 3505 O O . HOH V 10 . ? -29.097 -27.428 -9.689 1.00 28.44 ? 104 HOH B O 1 HETATM 3506 O O . HOH V 10 . ? -31.747 -15.789 -11.685 1.00 30.54 ? 105 HOH B O 1 HETATM 3507 O O . HOH V 10 . ? -10.142 -19.075 -13.168 1.00 16.44 ? 106 HOH B O 1 HETATM 3508 O O . HOH V 10 . ? -22.898 -19.830 -7.662 1.00 14.92 ? 107 HOH B O 1 HETATM 3509 O O . HOH V 10 . ? -8.429 -17.225 -18.834 1.00 24.97 ? 108 HOH B O 1 HETATM 3510 O O . HOH V 10 . ? 0.423 -13.284 -5.382 1.00 23.88 ? 109 HOH B O 1 HETATM 3511 O O . HOH V 10 . ? -3.824 -4.430 -11.482 1.00 24.09 ? 110 HOH B O 1 HETATM 3512 O O . HOH V 10 . ? -5.378 -18.212 -7.479 1.00 19.54 ? 111 HOH B O 1 HETATM 3513 O O . HOH V 10 . ? -18.448 -26.688 -21.721 1.00 25.89 ? 112 HOH B O 1 HETATM 3514 O O . HOH V 10 . ? -18.177 -10.441 -0.187 1.00 29.95 ? 113 HOH B O 1 HETATM 3515 O O . HOH V 10 . ? -31.568 -22.512 -12.693 1.00 20.42 ? 114 HOH B O 1 HETATM 3516 O O . HOH V 10 . ? -21.784 -10.335 -23.459 1.00 18.34 ? 115 HOH B O 1 HETATM 3517 O O . HOH V 10 . ? -19.985 -18.368 -26.522 1.00 19.06 ? 116 HOH B O 1 HETATM 3518 O O . HOH V 10 . ? -18.693 -5.798 -11.562 1.00 37.00 ? 117 HOH B O 1 HETATM 3519 O O . HOH V 10 . ? -13.399 -5.000 -16.396 1.00 35.50 ? 118 HOH B O 1 HETATM 3520 O O . HOH V 10 . ? -35.159 -21.268 -12.135 1.00 33.03 ? 119 HOH B O 1 HETATM 3521 O O . HOH V 10 . ? -22.240 -16.197 -24.418 1.00 19.70 ? 120 HOH B O 1 HETATM 3522 O O . HOH V 10 . ? -10.122 -10.379 -24.601 1.00 25.49 ? 121 HOH B O 1 HETATM 3523 O O . HOH V 10 . ? -21.829 -11.068 -1.584 1.00 25.47 ? 122 HOH B O 1 HETATM 3524 O O . HOH V 10 . ? -14.146 -5.651 -9.393 1.00 34.75 ? 123 HOH B O 1 HETATM 3525 O O . HOH V 10 . ? -7.040 -21.373 -11.553 1.00 28.92 ? 124 HOH B O 1 HETATM 3526 O O . HOH V 10 . ? -22.362 -17.105 -27.335 1.00 19.94 ? 125 HOH B O 1 HETATM 3527 O O . HOH V 10 . ? -6.229 -5.163 -18.399 1.00 23.30 ? 126 HOH B O 1 HETATM 3528 O O . HOH V 10 . ? -10.337 -9.647 1.253 1.00 22.17 ? 127 HOH B O 1 HETATM 3529 O O . HOH V 10 . ? -11.589 -19.975 -19.452 1.00 27.36 ? 128 HOH B O 1 HETATM 3530 O O . HOH V 10 . ? -4.674 -23.268 -2.568 1.00 39.07 ? 129 HOH B O 1 HETATM 3531 O O . HOH V 10 . ? -9.334 -5.086 -6.207 1.00 28.97 ? 130 HOH B O 1 HETATM 3532 O O . HOH V 10 . ? -14.601 -8.169 -2.981 1.00 33.91 ? 131 HOH B O 1 HETATM 3533 O O . HOH V 10 . ? -1.395 -16.788 -14.365 1.00 38.74 ? 132 HOH B O 1 HETATM 3534 O O . HOH V 10 . ? -31.717 -24.338 -14.722 1.00 26.48 ? 133 HOH B O 1 HETATM 3535 O O . HOH V 10 . ? -32.398 -13.982 -14.184 1.00 28.90 ? 134 HOH B O 1 HETATM 3536 O O . HOH V 10 . ? -13.950 -16.164 -24.884 1.00 18.57 ? 135 HOH B O 1 HETATM 3537 O O . HOH V 10 . ? -27.216 -28.383 -7.653 1.00 28.93 ? 136 HOH B O 1 HETATM 3538 O O . HOH V 10 . ? -30.235 -12.442 -17.776 1.00 24.12 ? 137 HOH B O 1 HETATM 3539 O O . HOH V 10 . ? -29.606 -20.980 -6.837 1.00 30.92 ? 138 HOH B O 1 HETATM 3540 O O . HOH V 10 . ? -28.542 -20.057 -23.659 1.00 35.04 ? 139 HOH B O 1 HETATM 3541 O O . HOH V 10 . ? -15.933 -6.617 -23.950 1.00 35.31 ? 145 HOH B O 1 HETATM 3542 O O . HOH V 10 . ? -10.503 -14.562 -24.184 1.00 46.61 ? 148 HOH B O 1 HETATM 3543 O O . HOH V 10 . ? -11.851 -21.681 -4.346 1.00 36.73 ? 149 HOH B O 1 HETATM 3544 O O . HOH V 10 . ? -12.186 -8.161 -0.976 1.00 33.32 ? 151 HOH B O 1 HETATM 3545 O O . HOH V 10 . ? -4.216 -17.027 -16.921 1.00 52.47 ? 153 HOH B O 1 HETATM 3546 O O . HOH V 10 . ? -1.832 -22.514 -4.967 1.00 36.19 ? 160 HOH B O 1 HETATM 3547 O O . HOH V 10 . ? -12.532 -23.951 -17.250 1.00 34.68 ? 164 HOH B O 1 HETATM 3548 O O . HOH V 10 . ? 0.997 -14.885 -15.592 1.00 38.09 ? 173 HOH B O 1 HETATM 3549 O O . HOH V 10 . ? -4.568 -20.098 1.052 1.00 27.76 ? 177 HOH B O 1 HETATM 3550 O O . HOH V 10 . ? 0.127 -19.503 1.273 1.00 28.65 ? 185 HOH B O 1 HETATM 3551 O O . HOH V 10 . ? -23.548 -23.304 -27.874 1.00 24.47 ? 192 HOH B O 1 HETATM 3552 O O . HOH V 10 . ? -13.041 -6.616 -7.209 1.00 55.70 ? 205 HOH B O 1 HETATM 3553 O O . HOH V 10 . ? 1.676 -17.421 -6.933 1.00 35.16 ? 208 HOH B O 1 HETATM 3554 O O . HOH V 10 . ? -2.263 -2.800 -10.091 1.00 27.30 ? 211 HOH B O 1 HETATM 3555 O O . HOH V 10 . ? -31.036 -19.396 -9.453 1.00 37.04 ? 212 HOH B O 1 HETATM 3556 O O . HOH V 10 . ? -28.143 -11.224 -16.286 1.00 24.47 ? 225 HOH B O 1 HETATM 3557 O O . HOH V 10 . ? -19.857 -24.438 -26.503 1.00 27.23 ? 231 HOH B O 1 HETATM 3558 O O . HOH V 10 . ? -8.927 -22.184 -7.166 1.00 30.14 ? 234 HOH B O 1 HETATM 3559 O O . HOH V 10 . ? -20.259 -7.549 -3.800 1.00 28.41 ? 237 HOH B O 1 HETATM 3560 O O . HOH V 10 . ? -28.614 -24.944 -22.679 1.00 51.83 ? 238 HOH B O 1 HETATM 3561 O O . HOH V 10 . ? 1.981 -11.843 -15.718 1.00 36.48 ? 244 HOH B O 1 HETATM 3562 O O . HOH V 10 . ? -12.069 -14.798 -3.096 1.00 29.93 ? 246 HOH B O 1 HETATM 3563 O O . HOH V 10 . ? -28.996 -8.672 -16.055 1.00 30.66 ? 248 HOH B O 1 HETATM 3564 O O . HOH V 10 . ? -27.261 -22.340 -23.133 1.00 30.08 ? 251 HOH B O 1 HETATM 3565 O O . HOH V 10 . ? -19.695 -28.264 -24.115 1.00 33.68 ? 252 HOH B O 1 HETATM 3566 O O . HOH V 10 . ? -12.296 -20.310 -1.643 1.00 34.59 ? 253 HOH B O 1 HETATM 3567 O O . HOH V 10 . ? -28.179 -6.413 -17.440 1.00 41.60 ? 258 HOH B O 1 HETATM 3568 O O . HOH V 10 . ? -27.831 -17.006 -22.903 1.00 34.77 ? 260 HOH B O 1 HETATM 3569 O O . HOH V 10 . ? -22.453 -4.936 -11.189 1.00 35.55 ? 261 HOH B O 1 HETATM 3570 O O . HOH V 10 . ? -11.723 -7.448 -23.790 1.00 25.99 ? 266 HOH B O 1 HETATM 3571 O O . HOH V 10 . ? 1.927 -5.051 -11.863 1.00 36.15 ? 268 HOH B O 1 HETATM 3572 O O . HOH V 10 . ? -27.632 -10.698 -9.413 1.00 34.88 ? 271 HOH B O 1 HETATM 3573 O O . HOH V 10 . ? -29.334 -6.859 -23.538 1.00 34.54 ? 273 HOH B O 1 HETATM 3574 O O . HOH V 10 . ? -34.261 -18.888 -26.614 1.00 39.18 ? 284 HOH B O 1 HETATM 3575 O O . HOH V 10 . ? -35.317 -14.779 -26.254 1.00 32.50 ? 285 HOH B O 1 HETATM 3576 O O . HOH V 10 . ? -24.864 -27.550 -20.969 1.00 39.37 ? 288 HOH B O 1 HETATM 3577 O O . HOH V 10 . ? -27.213 -22.361 -25.771 1.00 33.37 ? 289 HOH B O 1 HETATM 3578 O O A HOH V 10 . ? -20.070 -2.120 -21.481 0.50 23.84 ? 291 HOH B O 1 HETATM 3579 O O B HOH V 10 . ? -21.361 -1.432 -20.520 0.50 20.65 ? 291 HOH B O 1 HETATM 3580 O O . HOH V 10 . ? -35.847 -18.501 -23.839 1.00 36.18 ? 299 HOH B O 1 HETATM 3581 O O . HOH V 10 . ? -29.108 -29.115 -19.604 1.00 50.29 ? 310 HOH B O 1 HETATM 3582 O O . HOH V 10 . ? -28.362 -6.638 -12.808 1.00 49.27 ? 313 HOH B O 1 HETATM 3583 O O . HOH V 10 . ? -19.578 -5.496 -8.827 1.00 36.64 ? 319 HOH B O 1 HETATM 3584 O O . HOH V 10 . ? -24.406 -25.787 -26.771 1.00 38.10 ? 320 HOH B O 1 HETATM 3585 O O . HOH V 10 . ? -32.670 -25.071 -22.996 1.00 31.83 ? 323 HOH B O 1 HETATM 3586 O O . HOH V 10 . ? -15.268 -19.451 -23.942 1.00 56.84 ? 324 HOH B O 1 HETATM 3587 O O . HOH V 10 . ? -13.336 -22.388 -18.995 1.00 35.69 ? 355 HOH B O 1 HETATM 3588 O O . HOH V 10 . ? -32.756 -23.846 -10.439 1.00 34.61 ? 360 HOH B O 1 HETATM 3589 O O . HOH V 10 . ? -32.672 -11.046 -14.087 1.00 65.42 ? 392 HOH B O 1 HETATM 3590 O O . HOH V 10 . ? -13.338 -23.366 -21.731 1.00 40.95 ? 396 HOH B O 1 HETATM 3591 O O . HOH V 10 . ? -30.203 -26.180 -5.391 1.00 51.27 ? 397 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 89 SER SER A . n A 1 90 PRO 90 90 90 PRO PRO A . n A 1 91 LYS 91 91 91 LYS LYS A . n A 1 92 GLU 92 92 92 GLU GLU 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 ? ? ? A . n A 1 197 PRO 197 197 ? ? ? A . n A 1 198 SER 198 198 ? ? ? A . n A 1 199 SER 199 199 ? ? ? A . n A 1 200 ALA 200 200 ? ? ? A . n A 1 201 HIS 201 201 ? ? ? A . n A 1 202 GLY 202 202 ? ? ? 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 GLY 280 280 280 GLY GLY A . n A 1 281 SER 281 281 281 SER SER 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 A 1 286 HIS 286 286 ? ? ? A . n A 1 287 HIS 287 287 ? ? ? A . n B 2 1 ILE 1 1 1 ILE ILE 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 1 288 1 NAG NAG A . D 3 NAG 1 289 11 NAG NAG A . E 3 NAG 2 290 12 NAG NAG A . F 4 BMA 3 291 13 BMA BMA A . G 5 MAN 4 292 14 MAN MAN A . H 5 MAN 5 293 15 MAN MAN A . I 3 NAG 1 294 21 NAG NAG A . J 3 NAG 2 295 22 NAG NAG A . K 4 BMA 3 296 23 BMA BMA A . L 5 MAN 4 297 24 MAN MAN A . M 5 MAN 5 298 25 MAN MAN A . N 6 FUC 6 299 26 FUC FUC A . O 7 PBS 1 300 1 PBS PBS A . P 8 PLM 1 301 2 PLM PLM A . Q 9 EDO 1 302 1 EDO EDO A . R 9 EDO 1 303 3 EDO EDO A . S 9 EDO 1 304 4 EDO EDO A . T 9 EDO 1 100 2 EDO EDO B . U 10 HOH 1 305 305 HOH HOH A . U 10 HOH 2 306 2 HOH HOH A . U 10 HOH 3 307 11 HOH HOH A . U 10 HOH 4 308 12 HOH HOH A . U 10 HOH 5 309 14 HOH HOH A . U 10 HOH 6 310 15 HOH HOH A . U 10 HOH 7 311 311 HOH HOH A . U 10 HOH 8 312 312 HOH HOH A . U 10 HOH 9 313 16 HOH HOH A . U 10 HOH 10 314 17 HOH HOH A . U 10 HOH 11 315 315 HOH HOH A . U 10 HOH 12 316 316 HOH HOH A . U 10 HOH 13 317 317 HOH HOH A . U 10 HOH 14 318 18 HOH HOH A . U 10 HOH 15 319 20 HOH HOH A . U 10 HOH 16 320 23 HOH HOH A . U 10 HOH 17 321 321 HOH HOH A . U 10 HOH 18 322 24 HOH HOH A . U 10 HOH 19 323 25 HOH HOH A . U 10 HOH 20 324 26 HOH HOH A . U 10 HOH 21 325 27 HOH HOH A . U 10 HOH 22 326 28 HOH HOH A . U 10 HOH 23 327 29 HOH HOH A . U 10 HOH 24 328 30 HOH HOH A . U 10 HOH 25 329 329 HOH HOH A . U 10 HOH 26 330 32 HOH HOH A . U 10 HOH 27 331 331 HOH HOH A . U 10 HOH 28 332 33 HOH HOH A . U 10 HOH 29 333 333 HOH HOH A . U 10 HOH 30 334 34 HOH HOH A . U 10 HOH 31 335 335 HOH HOH A . U 10 HOH 32 336 35 HOH HOH A . U 10 HOH 33 337 37 HOH HOH A . U 10 HOH 34 338 39 HOH HOH A . U 10 HOH 35 339 339 HOH HOH A . U 10 HOH 36 340 340 HOH HOH A . U 10 HOH 37 341 41 HOH HOH A . U 10 HOH 38 342 42 HOH HOH A . U 10 HOH 39 343 45 HOH HOH A . U 10 HOH 40 344 46 HOH HOH A . U 10 HOH 41 345 345 HOH HOH A . U 10 HOH 42 346 346 HOH HOH A . U 10 HOH 43 347 47 HOH HOH A . U 10 HOH 44 348 348 HOH HOH A . U 10 HOH 45 349 349 HOH HOH A . U 10 HOH 46 350 350 HOH HOH A . U 10 HOH 47 351 351 HOH HOH A . U 10 HOH 48 352 48 HOH HOH A . U 10 HOH 49 353 50 HOH HOH A . U 10 HOH 50 354 52 HOH HOH A . U 10 HOH 51 355 54 HOH HOH A . U 10 HOH 52 356 356 HOH HOH A . U 10 HOH 53 357 55 HOH HOH A . U 10 HOH 54 358 358 HOH HOH A . U 10 HOH 55 359 359 HOH HOH A . U 10 HOH 56 360 56 HOH HOH A . U 10 HOH 57 361 361 HOH HOH A . U 10 HOH 58 362 362 HOH HOH A . U 10 HOH 59 363 363 HOH HOH A . U 10 HOH 60 364 364 HOH HOH A . U 10 HOH 61 365 365 HOH HOH A . U 10 HOH 62 366 59 HOH HOH A . U 10 HOH 63 367 60 HOH HOH A . U 10 HOH 64 368 62 HOH HOH A . U 10 HOH 65 369 369 HOH HOH A . U 10 HOH 66 370 63 HOH HOH A . U 10 HOH 67 371 65 HOH HOH A . U 10 HOH 68 372 372 HOH HOH A . U 10 HOH 69 373 373 HOH HOH A . U 10 HOH 70 374 374 HOH HOH A . U 10 HOH 71 375 375 HOH HOH A . U 10 HOH 72 376 67 HOH HOH A . U 10 HOH 73 377 377 HOH HOH A . U 10 HOH 74 378 69 HOH HOH A . U 10 HOH 75 379 379 HOH HOH A . U 10 HOH 76 380 72 HOH HOH A . U 10 HOH 77 381 74 HOH HOH A . U 10 HOH 78 382 382 HOH HOH A . U 10 HOH 79 383 77 HOH HOH A . U 10 HOH 80 384 78 HOH HOH A . U 10 HOH 81 385 83 HOH HOH A . U 10 HOH 82 386 84 HOH HOH A . U 10 HOH 83 387 387 HOH HOH A . U 10 HOH 84 388 388 HOH HOH A . U 10 HOH 85 389 389 HOH HOH A . U 10 HOH 86 390 390 HOH HOH A . U 10 HOH 87 391 85 HOH HOH A . U 10 HOH 88 392 86 HOH HOH A . U 10 HOH 89 393 87 HOH HOH A . U 10 HOH 90 394 394 HOH HOH A . U 10 HOH 91 395 88 HOH HOH A . U 10 HOH 92 396 91 HOH HOH A . U 10 HOH 93 397 93 HOH HOH A . U 10 HOH 94 398 95 HOH HOH A . U 10 HOH 95 399 399 HOH HOH A . U 10 HOH 96 400 96 HOH HOH A . U 10 HOH 97 401 401 HOH HOH A . U 10 HOH 98 402 97 HOH HOH A . U 10 HOH 99 403 98 HOH HOH A . U 10 HOH 100 404 404 HOH HOH A . U 10 HOH 101 405 405 HOH HOH A . U 10 HOH 102 406 101 HOH HOH A . U 10 HOH 103 407 102 HOH HOH A . U 10 HOH 104 408 103 HOH HOH A . U 10 HOH 105 409 106 HOH HOH A . U 10 HOH 106 410 107 HOH HOH A . U 10 HOH 107 411 109 HOH HOH A . U 10 HOH 108 412 110 HOH HOH A . U 10 HOH 109 413 114 HOH HOH A . U 10 HOH 110 414 115 HOH HOH A . U 10 HOH 111 415 117 HOH HOH A . U 10 HOH 112 416 118 HOH HOH A . U 10 HOH 113 417 119 HOH HOH A . U 10 HOH 114 418 120 HOH HOH A . U 10 HOH 115 419 126 HOH HOH A . U 10 HOH 116 420 127 HOH HOH A . U 10 HOH 117 421 131 HOH HOH A . U 10 HOH 118 422 132 HOH HOH A . U 10 HOH 119 423 133 HOH HOH A . U 10 HOH 120 424 136 HOH HOH A . U 10 HOH 121 425 139 HOH HOH A . U 10 HOH 122 426 142 HOH HOH A . U 10 HOH 123 427 143 HOH HOH A . U 10 HOH 124 428 146 HOH HOH A . U 10 HOH 125 429 147 HOH HOH A . U 10 HOH 126 430 150 HOH HOH A . U 10 HOH 127 431 154 HOH HOH A . U 10 HOH 128 432 155 HOH HOH A . U 10 HOH 129 433 156 HOH HOH A . U 10 HOH 130 434 157 HOH HOH A . U 10 HOH 131 435 158 HOH HOH A . U 10 HOH 132 436 161 HOH HOH A . U 10 HOH 133 437 162 HOH HOH A . U 10 HOH 134 438 163 HOH HOH A . U 10 HOH 135 439 165 HOH HOH A . U 10 HOH 136 440 170 HOH HOH A . U 10 HOH 137 441 171 HOH HOH A . U 10 HOH 138 442 175 HOH HOH A . U 10 HOH 139 443 176 HOH HOH A . U 10 HOH 140 444 180 HOH HOH A . U 10 HOH 141 445 181 HOH HOH A . U 10 HOH 142 446 182 HOH HOH A . U 10 HOH 143 447 183 HOH HOH A . U 10 HOH 144 448 184 HOH HOH A . U 10 HOH 145 449 186 HOH HOH A . U 10 HOH 146 450 187 HOH HOH A . U 10 HOH 147 451 188 HOH HOH A . U 10 HOH 148 452 189 HOH HOH A . U 10 HOH 149 453 190 HOH HOH A . U 10 HOH 150 454 193 HOH HOH A . U 10 HOH 151 455 194 HOH HOH A . U 10 HOH 152 456 195 HOH HOH A . U 10 HOH 153 457 196 HOH HOH A . U 10 HOH 154 458 197 HOH HOH A . U 10 HOH 155 459 198 HOH HOH A . U 10 HOH 156 460 199 HOH HOH A . U 10 HOH 157 461 200 HOH HOH A . U 10 HOH 158 462 201 HOH HOH A . U 10 HOH 159 463 202 HOH HOH A . U 10 HOH 160 464 203 HOH HOH A . U 10 HOH 161 465 204 HOH HOH A . U 10 HOH 162 466 206 HOH HOH A . U 10 HOH 163 467 207 HOH HOH A . U 10 HOH 164 468 209 HOH HOH A . U 10 HOH 165 469 210 HOH HOH A . U 10 HOH 166 470 213 HOH HOH A . U 10 HOH 167 471 215 HOH HOH A . U 10 HOH 168 472 217 HOH HOH A . U 10 HOH 169 473 218 HOH HOH A . U 10 HOH 170 474 220 HOH HOH A . U 10 HOH 171 475 221 HOH HOH A . U 10 HOH 172 476 223 HOH HOH A . U 10 HOH 173 477 224 HOH HOH A . U 10 HOH 174 478 226 HOH HOH A . U 10 HOH 175 479 227 HOH HOH A . U 10 HOH 176 480 228 HOH HOH A . U 10 HOH 177 481 229 HOH HOH A . U 10 HOH 178 482 230 HOH HOH A . U 10 HOH 179 483 232 HOH HOH A . U 10 HOH 180 484 233 HOH HOH A . U 10 HOH 181 485 235 HOH HOH A . U 10 HOH 182 486 236 HOH HOH A . U 10 HOH 183 487 239 HOH HOH A . U 10 HOH 184 488 240 HOH HOH A . U 10 HOH 185 489 241 HOH HOH A . U 10 HOH 186 490 242 HOH HOH A . U 10 HOH 187 491 243 HOH HOH A . U 10 HOH 188 492 245 HOH HOH A . U 10 HOH 189 493 247 HOH HOH A . U 10 HOH 190 494 249 HOH HOH A . U 10 HOH 191 495 250 HOH HOH A . U 10 HOH 192 496 254 HOH HOH A . U 10 HOH 193 497 255 HOH HOH A . U 10 HOH 194 498 257 HOH HOH A . U 10 HOH 195 499 259 HOH HOH A . U 10 HOH 196 500 262 HOH HOH A . U 10 HOH 197 501 264 HOH HOH A . U 10 HOH 198 502 265 HOH HOH A . U 10 HOH 199 503 267 HOH HOH A . U 10 HOH 200 504 269 HOH HOH A . U 10 HOH 201 505 270 HOH HOH A . U 10 HOH 202 506 272 HOH HOH A . U 10 HOH 203 507 275 HOH HOH A . U 10 HOH 204 508 276 HOH HOH A . U 10 HOH 205 509 277 HOH HOH A . U 10 HOH 206 510 278 HOH HOH A . U 10 HOH 207 511 279 HOH HOH A . U 10 HOH 208 512 280 HOH HOH A . U 10 HOH 209 513 281 HOH HOH A . U 10 HOH 210 514 283 HOH HOH A . U 10 HOH 211 515 286 HOH HOH A . U 10 HOH 212 516 287 HOH HOH A . U 10 HOH 213 517 290 HOH HOH A . U 10 HOH 214 518 292 HOH HOH A . U 10 HOH 215 519 293 HOH HOH A . U 10 HOH 216 520 296 HOH HOH A . U 10 HOH 217 521 297 HOH HOH A . U 10 HOH 218 522 298 HOH HOH A . V 10 HOH 1 101 5 HOH HOH B . V 10 HOH 2 102 6 HOH HOH B . V 10 HOH 3 103 7 HOH HOH B . V 10 HOH 4 104 104 HOH HOH B . V 10 HOH 5 105 105 HOH HOH B . V 10 HOH 6 106 8 HOH HOH B . V 10 HOH 7 107 9 HOH HOH B . V 10 HOH 8 108 10 HOH HOH B . V 10 HOH 9 109 13 HOH HOH B . V 10 HOH 10 110 19 HOH HOH B . V 10 HOH 11 111 21 HOH HOH B . V 10 HOH 12 112 31 HOH HOH B . V 10 HOH 13 113 113 HOH HOH B . V 10 HOH 14 114 36 HOH HOH B . V 10 HOH 15 115 38 HOH HOH B . V 10 HOH 16 116 116 HOH HOH B . V 10 HOH 17 117 40 HOH HOH B . V 10 HOH 18 118 43 HOH HOH B . V 10 HOH 19 119 44 HOH HOH B . V 10 HOH 20 120 49 HOH HOH B . V 10 HOH 21 121 51 HOH HOH B . V 10 HOH 22 122 122 HOH HOH B . V 10 HOH 23 123 53 HOH HOH B . V 10 HOH 24 124 57 HOH HOH B . V 10 HOH 25 125 125 HOH HOH B . V 10 HOH 26 126 68 HOH HOH B . V 10 HOH 27 127 70 HOH HOH B . V 10 HOH 28 128 71 HOH HOH B . V 10 HOH 29 129 73 HOH HOH B . V 10 HOH 30 130 130 HOH HOH B . V 10 HOH 31 131 75 HOH HOH B . V 10 HOH 32 132 79 HOH HOH B . V 10 HOH 33 133 80 HOH HOH B . V 10 HOH 34 134 81 HOH HOH B . V 10 HOH 35 135 135 HOH HOH B . V 10 HOH 36 136 92 HOH HOH B . V 10 HOH 37 137 137 HOH HOH B . V 10 HOH 38 138 99 HOH HOH B . V 10 HOH 39 139 100 HOH HOH B . V 10 HOH 40 145 145 HOH HOH B . V 10 HOH 41 148 148 HOH HOH B . V 10 HOH 42 149 149 HOH HOH B . V 10 HOH 43 151 151 HOH HOH B . V 10 HOH 44 153 153 HOH HOH B . V 10 HOH 45 160 160 HOH HOH B . V 10 HOH 46 164 164 HOH HOH B . V 10 HOH 47 173 173 HOH HOH B . V 10 HOH 48 177 177 HOH HOH B . V 10 HOH 49 185 185 HOH HOH B . V 10 HOH 50 192 192 HOH HOH B . V 10 HOH 51 205 205 HOH HOH B . V 10 HOH 52 208 208 HOH HOH B . V 10 HOH 53 211 211 HOH HOH B . V 10 HOH 54 212 212 HOH HOH B . V 10 HOH 55 225 225 HOH HOH B . V 10 HOH 56 231 231 HOH HOH B . V 10 HOH 57 234 234 HOH HOH B . V 10 HOH 58 237 237 HOH HOH B . V 10 HOH 59 238 238 HOH HOH B . V 10 HOH 60 244 244 HOH HOH B . V 10 HOH 61 246 246 HOH HOH B . V 10 HOH 62 248 248 HOH HOH B . V 10 HOH 63 251 251 HOH HOH B . V 10 HOH 64 252 252 HOH HOH B . V 10 HOH 65 253 253 HOH HOH B . V 10 HOH 66 258 258 HOH HOH B . V 10 HOH 67 260 260 HOH HOH B . V 10 HOH 68 261 261 HOH HOH B . V 10 HOH 69 266 266 HOH HOH B . V 10 HOH 70 268 268 HOH HOH B . V 10 HOH 71 271 271 HOH HOH B . V 10 HOH 72 273 273 HOH HOH B . V 10 HOH 73 284 284 HOH HOH B . V 10 HOH 74 285 285 HOH HOH B . V 10 HOH 75 288 288 HOH HOH B . V 10 HOH 76 289 289 HOH HOH B . V 10 HOH 77 291 291 HOH HOH B . V 10 HOH 78 299 299 HOH HOH B . V 10 HOH 79 310 310 HOH HOH B . V 10 HOH 80 313 313 HOH HOH B . V 10 HOH 81 319 319 HOH HOH B . V 10 HOH 82 320 320 HOH HOH B . V 10 HOH 83 323 323 HOH HOH B . V 10 HOH 84 324 324 HOH HOH B . V 10 HOH 85 355 355 HOH HOH B . V 10 HOH 86 360 360 HOH HOH B . V 10 HOH 87 392 392 HOH HOH B . V 10 HOH 88 396 396 HOH HOH B . V 10 HOH 89 397 397 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,M,N,O,P,Q,R,S,T,U,V # 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)' 8240 ? 1 MORE 34 ? 1 'SSA (A^2)' 19120 ? # _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 2009-11-10 2 'Structure model' 1 1 2011-07-13 3 'Structure model' 1 2 2017-11-01 # _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' Advisory 2 2 'Structure model' 'Refinement description' 3 2 'Structure model' 'Version format compliance' 4 3 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 3 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # _pdbx_audit_revision_item.ordinal 1 _pdbx_audit_revision_item.revision_ordinal 3 _pdbx_audit_revision_item.data_content_type 'Structure model' _pdbx_audit_revision_item.item '_software.name' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] 'X-RAY DIFFRACTION' 1 ? refined -1.7942 -13.2504 10.5433 0.0186 0.0488 0.0154 0.0073 0.0023 -0.0133 2.5810 0.6845 0.8708 0.7171 0.4520 -0.1529 0.0388 -0.0503 0.0115 -0.2041 0.0526 -0.0368 0.0249 -0.0207 -0.1117 'X-RAY DIFFRACTION' 2 ? refined -19.6057 -35.8071 -13.3470 0.1036 0.0096 0.0714 -0.0008 0.0111 -0.0028 2.0098 3.6190 2.3972 1.2199 0.8631 0.8121 -0.0212 0.1281 -0.1069 0.0391 -0.3523 -0.1668 -0.4184 0.2125 0.1252 'X-RAY DIFFRACTION' 3 ? refined -16.2812 -14.0015 -14.0924 0.0575 0.0289 0.0311 -0.0174 -0.0158 0.0023 2.1659 0.7245 2.0811 0.2449 1.0435 0.1505 -0.1633 0.1078 0.0555 0.1146 0.1765 0.0488 -0.1287 -0.1548 0.0632 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection_details _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection 'X-RAY DIFFRACTION' 1 1 A 7 A 184 ? . . . . ? 'X-RAY DIFFRACTION' 2 2 A 185 A 279 ? . . . . ? 'X-RAY DIFFRACTION' 3 3 B 1 B 99 ? . . . . ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal MAR345 'data collection' . ? 1 PHASER phasing . ? 2 REFMAC refinement 5.5.0066 ? 3 XDS 'data reduction' . ? 4 XSCALE 'data scaling' . ? 5 # _pdbx_entry_details.entry_id 3GMP _pdbx_entry_details.sequence_details 'ASP TO HIS CONFLICT IN UNP ENTRY P11609' _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O A HOH 437 ? ? O A HOH 463 ? ? 1.90 2 1 NE2 B GLN 2 ? ? O B HOH 268 ? ? 1.97 3 1 OD2 A ASP 236 ? ? O A HOH 519 ? ? 2.06 # loop_ _pdbx_validate_symm_contact.id _pdbx_validate_symm_contact.PDB_model_num _pdbx_validate_symm_contact.auth_atom_id_1 _pdbx_validate_symm_contact.auth_asym_id_1 _pdbx_validate_symm_contact.auth_comp_id_1 _pdbx_validate_symm_contact.auth_seq_id_1 _pdbx_validate_symm_contact.PDB_ins_code_1 _pdbx_validate_symm_contact.label_alt_id_1 _pdbx_validate_symm_contact.site_symmetry_1 _pdbx_validate_symm_contact.auth_atom_id_2 _pdbx_validate_symm_contact.auth_asym_id_2 _pdbx_validate_symm_contact.auth_comp_id_2 _pdbx_validate_symm_contact.auth_seq_id_2 _pdbx_validate_symm_contact.PDB_ins_code_2 _pdbx_validate_symm_contact.label_alt_id_2 _pdbx_validate_symm_contact.site_symmetry_2 _pdbx_validate_symm_contact.dist 1 1 CD1 B ILE 1 ? ? 1_555 O B HOH 392 ? ? 1_655 1.51 2 1 NH1 A ARG 79 ? ? 1_555 NE2 A GLN 230 ? ? 2_555 2.07 3 1 O A HOH 433 ? ? 1_555 O A HOH 448 ? ? 1_655 2.10 4 1 CG2 A VAL 190 ? ? 1_555 O3 A MAN 292 ? ? 2_445 2.10 5 1 OE1 A GLN 227 ? A 1_555 O A HOH 337 ? ? 2_545 2.13 # loop_ _pdbx_validate_rmsd_bond.id _pdbx_validate_rmsd_bond.PDB_model_num _pdbx_validate_rmsd_bond.auth_atom_id_1 _pdbx_validate_rmsd_bond.auth_asym_id_1 _pdbx_validate_rmsd_bond.auth_comp_id_1 _pdbx_validate_rmsd_bond.auth_seq_id_1 _pdbx_validate_rmsd_bond.PDB_ins_code_1 _pdbx_validate_rmsd_bond.label_alt_id_1 _pdbx_validate_rmsd_bond.auth_atom_id_2 _pdbx_validate_rmsd_bond.auth_asym_id_2 _pdbx_validate_rmsd_bond.auth_comp_id_2 _pdbx_validate_rmsd_bond.auth_seq_id_2 _pdbx_validate_rmsd_bond.PDB_ins_code_2 _pdbx_validate_rmsd_bond.label_alt_id_2 _pdbx_validate_rmsd_bond.bond_value _pdbx_validate_rmsd_bond.bond_target_value _pdbx_validate_rmsd_bond.bond_deviation _pdbx_validate_rmsd_bond.bond_standard_deviation _pdbx_validate_rmsd_bond.linker_flag 1 1 CB B MET 54 ? ? CG B MET 54 ? ? 1.702 1.509 0.193 0.032 N 2 1 CG B MET 54 ? ? SD B MET 54 ? ? 1.595 1.807 -0.212 0.026 N # 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 ASN A 20 ? ? -170.06 -175.64 2 1 PRO A 108 ? ? -49.41 167.24 3 1 ASN A 110 ? ? -118.08 53.81 4 1 ASP A 166 ? ? -123.24 -59.22 5 1 TRP B 60 ? ? 77.27 -8.39 # 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 VAL 196 ? A VAL 196 8 1 Y 1 A PRO 197 ? A PRO 197 9 1 Y 1 A SER 198 ? A SER 198 10 1 Y 1 A SER 199 ? A SER 199 11 1 Y 1 A ALA 200 ? A ALA 200 12 1 Y 1 A HIS 201 ? A HIS 201 13 1 Y 1 A GLY 202 ? A GLY 202 14 1 Y 1 A HIS 282 ? A HIS 282 15 1 Y 1 A HIS 283 ? A HIS 283 16 1 Y 1 A HIS 284 ? A HIS 284 17 1 Y 1 A HIS 285 ? A HIS 285 18 1 Y 1 A HIS 286 ? A HIS 286 19 1 Y 1 A HIS 287 ? A HIS 287 # 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 ALPHA-L-FUCOSE FUC 7 '(2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL' PBS 8 'PALMITIC ACID' PLM 9 1,2-ETHANEDIOL EDO 10 water HOH #