data_3GMM # _entry.id 3GMM # _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 3GMM RCSB RCSB052049 WWPDB D_1000052049 # 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 3GMN 'same protein in complex with C10Ph' unspecified PDB 3GMO 'same protein in complex with C8PhF' unspecified PDB 3GMP 'same protein in complex with PBS-25' 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 3GMM _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 3GMM _cell.length_a 41.740 _cell.length_b 97.900 _cell.length_c 55.420 _cell.angle_alpha 90.00 _cell.angle_beta 106.57 _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 3GMM _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 'N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide' 681.940 1 ? ? ? ? 8 non-polymer syn 'PALMITIC ACID' 256.424 1 ? ? ? ? 9 non-polymer syn 1,2-ETHANEDIOL 62.068 4 ? ? ? ? 10 water nat water 18.015 314 ? ? ? ? # 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 3GMM A 1 ? 279 ? P11609 19 ? 297 ? 1 279 2 2 3GMM 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 3GMM HIS A 201 ? UNP P11609 ASP 219 'SEE REMARK 999' 201 1 1 3GMM GLY A 280 ? UNP P11609 ? ? 'EXPRESSION TAG' 280 2 1 3GMM SER A 281 ? UNP P11609 ? ? 'EXPRESSION TAG' 281 3 1 3GMM HIS A 282 ? UNP P11609 ? ? 'EXPRESSION TAG' 282 4 1 3GMM HIS A 283 ? UNP P11609 ? ? 'EXPRESSION TAG' 283 5 1 3GMM HIS A 284 ? UNP P11609 ? ? 'EXPRESSION TAG' 284 6 1 3GMM HIS A 285 ? UNP P11609 ? ? 'EXPRESSION TAG' 285 7 1 3GMM HIS A 286 ? UNP P11609 ? ? 'EXPRESSION TAG' 286 8 1 3GMM 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 C8P non-polymer . 'N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide' '(2S,3S,4R)-N-PHENYLOCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL' 'C38 H67 N O9' 681.940 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 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 3GMM _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 49.64 _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 2007-11-16 _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 3GMM _reflns.observed_criterion_sigma_I -3.0 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 30.0 _reflns.d_resolution_high 1.8 _reflns.number_obs 39342 _reflns.number_all 39342 _reflns.percent_possible_obs 99.4 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.043 _reflns.pdbx_netI_over_sigmaI 17.2 _reflns.B_iso_Wilson_estimate 34.0 _reflns.pdbx_redundancy 3.8 _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 1.8 _reflns_shell.d_res_low 1.9 _reflns_shell.percent_possible_all 99.3 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.489 _reflns_shell.meanI_over_sigI_obs 2.8 _reflns_shell.pdbx_redundancy 3.8 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all 5893 _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 3GMM _refine.ls_number_reflns_obs 37348 _refine.ls_number_reflns_all 39341 _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 29.77 _refine.ls_d_res_high 1.80 _refine.ls_percent_reflns_obs 99.55 _refine.ls_R_factor_obs 0.17674 _refine.ls_R_factor_all 0.17674 _refine.ls_R_factor_R_work 0.17458 _refine.ls_R_factor_R_free 0.21874 _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 1993 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.964 _refine.correlation_coeff_Fo_to_Fc_free 0.948 _refine.B_iso_mean 25.624 _refine.aniso_B[1][1] -1.83 _refine.aniso_B[2][2] 1.96 _refine.aniso_B[3][3] -0.97 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -1.47 _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 0.127 _refine.pdbx_overall_ESU_R_Free 0.124 _refine.overall_SU_ML 0.093 _refine.overall_SU_B 6.445 _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 228 _refine_hist.number_atoms_solvent 314 _refine_hist.number_atoms_total 3517 _refine_hist.d_res_high 1.80 _refine_hist.d_res_low 29.77 # 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 0.023 0.021 ? 3376 'X-RAY DIFFRACTION' ? r_angle_refined_deg 2.144 1.999 ? 4591 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.610 5.000 ? 378 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 32.427 24.211 ? 152 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 15.081 15.000 ? 525 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 20.003 15.000 ? 16 'X-RAY DIFFRACTION' ? r_chiral_restr 0.156 0.200 ? 506 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.011 0.021 ? 2493 'X-RAY DIFFRACTION' ? r_mcbond_it 1.321 1.500 ? 1877 'X-RAY DIFFRACTION' ? r_mcangle_it 2.175 2.000 ? 3051 'X-RAY DIFFRACTION' ? r_scbond_it 3.389 3.000 ? 1499 'X-RAY DIFFRACTION' ? r_scangle_it 5.163 4.500 ? 1540 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.800 _refine_ls_shell.d_res_low 1.847 _refine_ls_shell.number_reflns_R_work 2768 _refine_ls_shell.R_factor_R_work 0.265 _refine_ls_shell.percent_reflns_obs 99.52 _refine_ls_shell.R_factor_R_free 0.283 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 152 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs 2920 _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3GMM _struct.title 'Structure of mouse CD1d in complex with C8Ph' _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 3GMM _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 ? ASP A 153 ? LEU A 143 ASP A 153 1 ? 11 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 ? ? ? ? ? ? ? 2.202 ? disulf2 disulf ? ? A CYS 208 SG ? ? ? 1_555 A CYS 263 SG ? ? A CYS 208 A CYS 263 1_555 ? ? ? ? ? ? ? 2.044 ? disulf3 disulf ? ? B CYS 25 SG ? ? ? 1_555 B CYS 80 SG ? ? B CYS 25 B CYS 80 1_555 ? ? ? ? ? ? ? 2.024 ? covale1 covale ? ? A ASN 20 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 20 A NAG 288 1_555 ? ? ? ? ? ? ? 1.437 ? covale2 covale ? ? A ASN 42 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 42 A NAG 289 1_555 ? ? ? ? ? ? ? 1.425 ? covale3 covale ? ? A ASN 165 ND2 ? ? ? 1_555 I NAG . C1 ? ? A ASN 165 A NAG 294 1_555 ? ? ? ? ? ? ? 1.440 ? covale4 covale ? ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 289 A NAG 290 1_555 ? ? ? ? ? ? ? 1.438 ? covale5 covale ? ? E NAG . O4 ? ? ? 1_555 F BMA . C1 ? ? A NAG 290 A BMA 291 1_555 ? ? ? ? ? ? ? 1.452 ? covale6 covale ? ? F BMA . O3 ? ? ? 1_555 G MAN . C1 ? ? A BMA 291 A MAN 292 1_555 ? ? ? ? ? ? ? 1.467 ? covale7 covale ? ? G MAN . O2 ? ? ? 1_555 H MAN . C1 ? ? A MAN 292 A MAN 293 1_555 ? ? ? ? ? ? ? 1.444 ? covale8 covale ? ? I NAG . O4 ? ? ? 1_555 J NAG . C1 ? ? A NAG 294 A NAG 295 1_555 ? ? ? ? ? ? ? 1.449 ? covale9 covale ? ? I NAG . O6 ? ? ? 1_555 N FUC . C1 ? ? A NAG 294 A FUC 299 1_555 ? ? ? ? ? ? ? 1.479 ? covale10 covale ? ? J NAG . O4 ? ? ? 1_555 K BMA . C1 ? ? A NAG 295 A BMA 296 1_555 ? ? ? ? ? ? ? 1.413 ? covale11 covale ? ? K BMA . O3 ? ? ? 1_555 M MAN . C1 ? ? A BMA 296 A MAN 298 1_555 ? ? ? ? ? ? ? 1.436 ? covale12 covale ? ? K BMA . O6 ? ? ? 1_555 L MAN . C1 ? ? A BMA 296 A MAN 297 1_555 ? ? ? ? ? ? ? 1.441 ? # 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 4.07 2 TYR 94 A . ? TYR 94 A PRO 95 A ? PRO 95 A 1 -4.81 3 TYR 214 A . ? TYR 214 A PRO 215 A ? PRO 215 A 1 1.21 4 HIS 31 B . ? HIS 31 B PRO 32 B ? PRO 32 B 1 3.70 # 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 GLU A 105 ? N GLU A 105 O GLU A 113 ? O GLU A 113 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 CYS A 263 ? N CYS A 263 O LEU A 277 ? O LEU A 277 E 1 2 N TYR B 10 ? N TYR B 10 O ASN B 24 ? O ASN B 24 E 2 3 N LEU B 23 ? N LEU B 23 O THR B 68 ? O THR B 68 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 LEU B 23 ? N LEU B 23 O THR B 68 ? O THR B 68 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 ? ? ? ? 3 '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 ? ? ? ? 3 'BINDING SITE FOR RESIDUE BMA A 291' AC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE MAN A 292' AC6 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE MAN A 293' AC7 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE NAG A 294' AC8 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 295' AC9 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE BMA A 296' BC1 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE MAN A 297' BC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 298' BC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE FUC A 299' BC4 Software ? ? ? ? 18 'BINDING SITE FOR RESIDUE C8P A 300' BC5 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE PLM A 301' BC6 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE EDO A 302' BC7 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE EDO A 303' BC8 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE EDO B 100' BC9 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE EDO B 101' # 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 3 ASN A 20 ? ASN A 20 . ? 1_555 ? 2 AC1 3 SER A 22 ? SER A 22 . ? 1_555 ? 3 AC1 3 TRP A 23 ? TRP A 23 . ? 1_555 ? 4 AC2 5 TRP A 23 ? TRP A 23 . ? 1_555 ? 5 AC2 5 SER A 24 ? SER A 24 . ? 1_555 ? 6 AC2 5 ASN A 42 ? ASN A 42 . ? 1_555 ? 7 AC2 5 NAG E . ? NAG A 290 . ? 1_555 ? 8 AC2 5 HOH U . ? HOH A 453 . ? 1_555 ? 9 AC3 3 NAG D . ? NAG A 289 . ? 1_555 ? 10 AC3 3 BMA F . ? BMA A 291 . ? 1_555 ? 11 AC3 3 HOH U . ? HOH A 482 . ? 1_555 ? 12 AC4 3 NAG E . ? NAG A 290 . ? 1_555 ? 13 AC4 3 MAN G . ? MAN A 292 . ? 1_555 ? 14 AC4 3 MAN H . ? MAN A 293 . ? 1_555 ? 15 AC5 2 BMA F . ? BMA A 291 . ? 1_555 ? 16 AC5 2 MAN H . ? MAN A 293 . ? 1_555 ? 17 AC6 2 BMA F . ? BMA A 291 . ? 1_555 ? 18 AC6 2 MAN G . ? MAN A 292 . ? 1_555 ? 19 AC7 8 GLY A 130 ? GLY A 130 . ? 1_555 ? 20 AC7 8 THR A 131 ? THR A 131 . ? 1_555 ? 21 AC7 8 GLN A 161 ? GLN A 161 . ? 1_555 ? 22 AC7 8 ASN A 165 ? ASN A 165 . ? 1_555 ? 23 AC7 8 NAG J . ? NAG A 295 . ? 1_555 ? 24 AC7 8 FUC N . ? FUC A 299 . ? 1_555 ? 25 AC7 8 HOH U . ? HOH A 330 . ? 1_555 ? 26 AC7 8 HOH V . ? HOH B 192 . ? 1_656 ? 27 AC8 5 TRP A 129 ? TRP A 129 . ? 1_555 ? 28 AC8 5 GLY A 130 ? GLY A 130 . ? 1_555 ? 29 AC8 5 NAG I . ? NAG A 294 . ? 1_555 ? 30 AC8 5 BMA K . ? BMA A 296 . ? 1_555 ? 31 AC8 5 MAN L . ? MAN A 297 . ? 1_555 ? 32 AC9 5 GLU A 177 ? GLU A 177 . ? 1_655 ? 33 AC9 5 NAG J . ? NAG A 295 . ? 1_555 ? 34 AC9 5 MAN L . ? MAN A 297 . ? 1_555 ? 35 AC9 5 MAN M . ? MAN A 298 . ? 1_555 ? 36 AC9 5 HOH U . ? HOH A 348 . ? 1_555 ? 37 BC1 7 GLU A 177 ? GLU A 177 . ? 1_655 ? 38 BC1 7 ALA A 178 ? ALA A 178 . ? 1_655 ? 39 BC1 7 LYS A 180 ? LYS A 180 . ? 1_655 ? 40 BC1 7 SER A 181 ? SER A 181 . ? 1_655 ? 41 BC1 7 NAG J . ? NAG A 295 . ? 1_555 ? 42 BC1 7 BMA K . ? BMA A 296 . ? 1_555 ? 43 BC1 7 HOH U . ? HOH A 505 . ? 1_555 ? 44 BC2 1 BMA K . ? BMA A 296 . ? 1_555 ? 45 BC3 4 SER A 114 ? SER A 114 . ? 1_555 ? 46 BC3 4 TRP A 129 ? TRP A 129 . ? 1_555 ? 47 BC3 4 GLY A 130 ? GLY A 130 . ? 1_555 ? 48 BC3 4 NAG I . ? NAG A 294 . ? 1_555 ? 49 BC4 18 CYS A 12 ? CYS A 12 . ? 1_555 ? 50 BC4 18 GLN A 14 ? GLN A 14 . ? 1_555 ? 51 BC4 18 TYR A 73 ? TYR A 73 . ? 1_555 ? 52 BC4 18 SER A 76 ? SER A 76 . ? 1_555 ? 53 BC4 18 ASP A 80 ? ASP A 80 . ? 1_555 ? 54 BC4 18 ALA A 102 ? ALA A 102 . ? 1_555 ? 55 BC4 18 PHE A 120 ? PHE A 120 . ? 1_555 ? 56 BC4 18 TRP A 133 ? TRP A 133 . ? 1_555 ? 57 BC4 18 TRP A 142 ? TRP A 142 . ? 1_555 ? 58 BC4 18 LEU A 150 ? LEU A 150 . ? 1_555 ? 59 BC4 18 ASP A 153 ? ASP A 153 . ? 1_555 ? 60 BC4 18 GLY A 155 ? GLY A 155 . ? 1_555 ? 61 BC4 18 THR A 156 ? THR A 156 . ? 1_555 ? 62 BC4 18 PLM P . ? PLM A 301 . ? 1_555 ? 63 BC4 18 HOH U . ? HOH A 329 . ? 1_555 ? 64 BC4 18 HOH U . ? HOH A 360 . ? 1_555 ? 65 BC4 18 HOH U . ? HOH A 373 . ? 1_555 ? 66 BC4 18 HOH U . ? HOH A 477 . ? 1_555 ? 67 BC5 8 PHE A 10 ? PHE A 10 . ? 1_555 ? 68 BC5 8 SER A 28 ? SER A 28 . ? 1_555 ? 69 BC5 8 PHE A 70 ? PHE A 70 . ? 1_555 ? 70 BC5 8 ALA A 102 ? ALA A 102 . ? 1_555 ? 71 BC5 8 CYS A 168 ? CYS A 168 . ? 1_555 ? 72 BC5 8 PHE A 171 ? PHE A 171 . ? 1_555 ? 73 BC5 8 C8P O . ? C8P A 300 . ? 1_555 ? 74 BC5 8 HOH U . ? HOH A 478 . ? 1_555 ? 75 BC6 7 ASP A 34 ? ASP A 34 . ? 1_555 ? 76 BC6 7 PRO A 239 ? PRO A 239 . ? 1_555 ? 77 BC6 7 ASN A 240 ? ASN A 240 . ? 1_555 ? 78 BC6 7 GLU A 243 ? GLU A 243 . ? 1_555 ? 79 BC6 7 THR A 244 ? THR A 244 . ? 1_555 ? 80 BC6 7 TRP A 245 ? TRP A 245 . ? 1_555 ? 81 BC6 7 HOH V . ? HOH B 123 . ? 1_555 ? 82 BC7 7 GLY A 235 ? GLY A 235 . ? 1_555 ? 83 BC7 7 ASP A 236 ? ASP A 236 . ? 1_555 ? 84 BC7 7 LEU A 238 ? LEU A 238 . ? 1_555 ? 85 BC7 7 LEU A 247 ? LEU A 247 . ? 1_555 ? 86 BC7 7 GLN A 248 ? GLN A 248 . ? 1_555 ? 87 BC7 7 HOH U . ? HOH A 518 . ? 1_555 ? 88 BC7 7 GLN B 8 ? GLN B 8 . ? 1_555 ? 89 BC8 6 GLN B 8 ? GLN B 8 . ? 1_555 ? 90 BC8 6 VAL B 9 ? VAL B 9 . ? 1_555 ? 91 BC8 6 VAL B 93 ? VAL B 93 . ? 1_555 ? 92 BC8 6 TYR B 94 ? TYR B 94 . ? 1_555 ? 93 BC8 6 TRP B 95 ? TRP B 95 . ? 1_555 ? 94 BC8 6 ASP B 96 ? ASP B 96 . ? 1_555 ? 95 BC9 8 PRO A 239 ? PRO A 239 . ? 1_555 ? 96 BC9 8 SER B 52 ? SER B 52 . ? 1_555 ? 97 BC9 8 TYR B 63 ? TYR B 63 . ? 1_555 ? 98 BC9 8 LEU B 65 ? LEU B 65 . ? 1_555 ? 99 BC9 8 HOH V . ? HOH B 123 . ? 1_555 ? 100 BC9 8 HOH V . ? HOH B 246 . ? 1_555 ? 101 BC9 8 HOH V . ? HOH B 264 . ? 1_555 ? 102 BC9 8 HOH V . ? HOH B 362 . ? 1_555 ? # _database_PDB_matrix.entry_id 3GMM _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 3GMM _atom_sites.fract_transf_matrix[1][1] 0.023958 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.007128 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.010215 _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] 0.018826 _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 ? -9.401 -34.247 8.843 1.00 37.04 ? 7 ASN A N 1 ATOM 2 C CA . ASN A 1 7 ? -8.390 -33.144 9.054 1.00 36.71 ? 7 ASN A CA 1 ATOM 3 C C . ASN A 1 7 ? -9.132 -31.858 8.746 1.00 35.51 ? 7 ASN A C 1 ATOM 4 O O . ASN A 1 7 ? -10.112 -31.870 7.980 1.00 36.83 ? 7 ASN A O 1 ATOM 5 C CB . ASN A 1 7 ? -7.172 -33.271 8.118 1.00 37.71 ? 7 ASN A CB 1 ATOM 6 C CG . ASN A 1 7 ? -6.127 -34.328 8.596 1.00 41.18 ? 7 ASN A CG 1 ATOM 7 O OD1 . ASN A 1 7 ? -6.471 -35.407 9.141 1.00 42.09 ? 7 ASN A OD1 1 ATOM 8 N ND2 . ASN A 1 7 ? -4.846 -34.017 8.364 1.00 45.59 ? 7 ASN A ND2 1 ATOM 9 N N . TYR A 1 8 ? -8.748 -30.771 9.378 1.00 32.93 ? 8 TYR A N 1 ATOM 10 C CA . TYR A 1 8 ? -9.316 -29.474 9.024 1.00 30.89 ? 8 TYR A CA 1 ATOM 11 C C . TYR A 1 8 ? -8.170 -28.539 9.217 1.00 29.33 ? 8 TYR A C 1 ATOM 12 O O . TYR A 1 8 ? -7.502 -28.587 10.242 1.00 29.21 ? 8 TYR A O 1 ATOM 13 C CB . TYR A 1 8 ? -10.457 -29.006 9.935 1.00 30.66 ? 8 TYR A CB 1 ATOM 14 C CG . TYR A 1 8 ? -11.770 -29.654 9.688 1.00 33.04 ? 8 TYR A CG 1 ATOM 15 C CD1 . TYR A 1 8 ? -12.094 -30.838 10.349 1.00 34.58 ? 8 TYR A CD1 1 ATOM 16 C CD2 . TYR A 1 8 ? -12.694 -29.116 8.782 1.00 36.95 ? 8 TYR A CD2 1 ATOM 17 C CE1 . TYR A 1 8 ? -13.275 -31.466 10.127 1.00 39.92 ? 8 TYR A CE1 1 ATOM 18 C CE2 . TYR A 1 8 ? -13.926 -29.761 8.567 1.00 38.97 ? 8 TYR A CE2 1 ATOM 19 C CZ . TYR A 1 8 ? -14.187 -30.927 9.245 1.00 41.08 ? 8 TYR A CZ 1 ATOM 20 O OH . TYR A 1 8 ? -15.367 -31.606 9.071 1.00 46.80 ? 8 TYR A OH 1 ATOM 21 N N . THR A 1 9 ? -7.937 -27.725 8.213 1.00 27.35 ? 9 THR A N 1 ATOM 22 C CA . THR A 1 9 ? -6.992 -26.640 8.332 1.00 25.28 ? 9 THR A CA 1 ATOM 23 C C . THR A 1 9 ? -7.724 -25.353 8.556 1.00 23.64 ? 9 THR A C 1 ATOM 24 O O . THR A 1 9 ? -8.583 -24.935 7.706 1.00 21.66 ? 9 THR A O 1 ATOM 25 C CB . THR A 1 9 ? -6.244 -26.509 7.057 1.00 25.52 ? 9 THR A CB 1 ATOM 26 O OG1 . THR A 1 9 ? -5.594 -27.754 6.814 1.00 28.51 ? 9 THR A OG1 1 ATOM 27 C CG2 . THR A 1 9 ? -5.174 -25.413 7.200 1.00 25.07 ? 9 THR A CG2 1 ATOM 28 N N . PHE A 1 10 ? -7.342 -24.687 9.643 1.00 19.72 ? 10 PHE A N 1 ATOM 29 C CA . PHE A 1 10 ? -7.740 -23.272 9.902 1.00 18.65 ? 10 PHE A CA 1 ATOM 30 C C . PHE A 1 10 ? -6.685 -22.294 9.386 1.00 17.77 ? 10 PHE A C 1 ATOM 31 O O . PHE A 1 10 ? -5.532 -22.352 9.831 1.00 18.29 ? 10 PHE A O 1 ATOM 32 C CB . PHE A 1 10 ? -7.885 -23.110 11.454 1.00 18.23 ? 10 PHE A CB 1 ATOM 33 C CG . PHE A 1 10 ? -8.348 -21.753 11.913 1.00 20.17 ? 10 PHE A CG 1 ATOM 34 C CD1 . PHE A 1 10 ? -9.677 -21.340 11.685 1.00 21.24 ? 10 PHE A CD1 1 ATOM 35 C CD2 . PHE A 1 10 ? -7.490 -20.961 12.698 1.00 18.60 ? 10 PHE A CD2 1 ATOM 36 C CE1 . PHE A 1 10 ? -10.102 -20.129 12.131 1.00 23.28 ? 10 PHE A CE1 1 ATOM 37 C CE2 . PHE A 1 10 ? -7.899 -19.750 13.156 1.00 22.18 ? 10 PHE A CE2 1 ATOM 38 C CZ . PHE A 1 10 ? -9.181 -19.314 12.901 1.00 23.06 ? 10 PHE A CZ 1 ATOM 39 N N A ARG A 1 11 ? -7.012 -21.397 8.455 0.50 16.86 ? 11 ARG A N 1 ATOM 40 N N B ARG A 1 11 ? -7.132 -21.394 8.495 0.50 17.68 ? 11 ARG A N 1 ATOM 41 C CA A ARG A 1 11 ? -5.963 -20.448 8.005 0.50 16.59 ? 11 ARG A CA 1 ATOM 42 C CA B ARG A 1 11 ? -6.299 -20.440 7.747 0.50 18.53 ? 11 ARG A CA 1 ATOM 43 C C A ARG A 1 11 ? -6.524 -19.087 7.997 0.50 16.75 ? 11 ARG A C 1 ATOM 44 C C B ARG A 1 11 ? -6.691 -19.025 8.154 0.50 18.46 ? 11 ARG A C 1 ATOM 45 O O A ARG A 1 11 ? -7.643 -18.861 7.392 0.50 15.12 ? 11 ARG A O 1 ATOM 46 O O B ARG A 1 11 ? -7.872 -18.667 7.999 0.50 18.23 ? 11 ARG A O 1 ATOM 47 C CB A ARG A 1 11 ? -5.526 -20.736 6.574 0.50 16.15 ? 11 ARG A CB 1 ATOM 48 C CB B ARG A 1 11 ? -6.648 -20.586 6.243 0.50 18.31 ? 11 ARG A CB 1 ATOM 49 C CG A ARG A 1 11 ? -5.521 -22.164 6.203 0.50 19.37 ? 11 ARG A CG 1 ATOM 50 C CG B ARG A 1 11 ? -5.818 -21.517 5.395 0.50 21.36 ? 11 ARG A CG 1 ATOM 51 C CD A ARG A 1 11 ? -6.123 -22.327 4.817 0.50 27.38 ? 11 ARG A CD 1 ATOM 52 C CD B ARG A 1 11 ? -6.178 -21.451 3.847 0.50 22.54 ? 11 ARG A CD 1 ATOM 53 N NE A ARG A 1 11 ? -5.234 -23.060 3.934 0.50 25.43 ? 11 ARG A NE 1 ATOM 54 N NE B ARG A 1 11 ? -7.497 -22.044 3.512 0.50 26.31 ? 11 ARG A NE 1 ATOM 55 C CZ A ARG A 1 11 ? -5.439 -24.312 3.524 0.50 28.77 ? 11 ARG A CZ 1 ATOM 56 C CZ B ARG A 1 11 ? -8.160 -21.831 2.372 0.50 25.90 ? 11 ARG A CZ 1 ATOM 57 N NH1 A ARG A 1 11 ? -6.496 -25.019 3.914 0.50 25.44 ? 11 ARG A NH1 1 ATOM 58 N NH1 B ARG A 1 11 ? -7.621 -21.082 1.446 0.50 25.18 ? 11 ARG A NH1 1 ATOM 59 N NH2 A ARG A 1 11 ? -4.548 -24.866 2.716 0.50 30.67 ? 11 ARG A NH2 1 ATOM 60 N NH2 B ARG A 1 11 ? -9.357 -22.386 2.137 0.50 26.19 ? 11 ARG A NH2 1 ATOM 61 N N . CYS A 1 12 ? -5.764 -18.201 8.660 1.00 16.21 ? 12 CYS A N 1 ATOM 62 C CA . CYS A 1 12 ? -6.035 -16.775 8.730 1.00 16.58 ? 12 CYS A CA 1 ATOM 63 C C . CYS A 1 12 ? -5.174 -16.154 7.680 1.00 17.89 ? 12 CYS A C 1 ATOM 64 O O . CYS A 1 12 ? -3.941 -16.324 7.732 1.00 18.39 ? 12 CYS A O 1 ATOM 65 C CB . CYS A 1 12 ? -5.599 -16.176 10.059 1.00 15.26 ? 12 CYS A CB 1 ATOM 66 S SG . CYS A 1 12 ? -6.581 -16.869 11.435 1.00 21.89 ? 12 CYS A SG 1 ATOM 67 N N . LEU A 1 13 ? -5.784 -15.453 6.735 1.00 16.06 ? 13 LEU A N 1 ATOM 68 C CA . LEU A 1 13 ? -5.051 -14.976 5.555 1.00 17.05 ? 13 LEU A CA 1 ATOM 69 C C . LEU A 1 13 ? -5.090 -13.433 5.562 1.00 18.49 ? 13 LEU A C 1 ATOM 70 O O . LEU A 1 13 ? -6.202 -12.776 5.394 1.00 19.16 ? 13 LEU A O 1 ATOM 71 C CB . LEU A 1 13 ? -5.703 -15.487 4.251 1.00 16.06 ? 13 LEU A CB 1 ATOM 72 C CG . LEU A 1 13 ? -5.825 -16.997 4.078 1.00 14.20 ? 13 LEU A CG 1 ATOM 73 C CD1 . LEU A 1 13 ? -6.502 -17.361 2.677 1.00 16.13 ? 13 LEU A CD1 1 ATOM 74 C CD2 . LEU A 1 13 ? -4.455 -17.715 4.386 1.00 17.44 ? 13 LEU A CD2 1 ATOM 75 N N . GLN A 1 14 ? -3.918 -12.801 5.627 1.00 16.00 ? 14 GLN A N 1 ATOM 76 C CA . GLN A 1 14 ? -3.897 -11.306 5.620 1.00 16.82 ? 14 GLN A CA 1 ATOM 77 C C . GLN A 1 14 ? -3.269 -10.839 4.350 1.00 18.86 ? 14 GLN A C 1 ATOM 78 O O . GLN A 1 14 ? -2.286 -11.461 3.884 1.00 17.30 ? 14 GLN A O 1 ATOM 79 C CB . GLN A 1 14 ? -3.041 -10.752 6.817 1.00 16.70 ? 14 GLN A CB 1 ATOM 80 C CG . GLN A 1 14 ? -2.791 -9.262 6.793 1.00 19.81 ? 14 GLN A CG 1 ATOM 81 C CD . GLN A 1 14 ? -1.873 -8.871 7.936 1.00 25.42 ? 14 GLN A CD 1 ATOM 82 O OE1 . GLN A 1 14 ? -1.917 -9.501 9.013 1.00 28.53 ? 14 GLN A OE1 1 ATOM 83 N NE2 . GLN A 1 14 ? -1.012 -7.869 7.710 1.00 22.65 ? 14 GLN A NE2 1 ATOM 84 N N . MET A 1 15 ? -3.815 -9.756 3.750 1.00 16.70 ? 15 MET A N 1 ATOM 85 C CA . MET A 1 15 ? -3.232 -9.251 2.566 1.00 19.38 ? 15 MET A CA 1 ATOM 86 C C . MET A 1 15 ? -3.112 -7.728 2.785 1.00 18.76 ? 15 MET A C 1 ATOM 87 O O . MET A 1 15 ? -4.107 -7.015 3.099 1.00 18.98 ? 15 MET A O 1 ATOM 88 C CB . MET A 1 15 ? -4.043 -9.720 1.299 1.00 21.86 ? 15 MET A CB 1 ATOM 89 C CG . MET A 1 15 ? -5.456 -9.394 1.220 1.00 26.19 ? 15 MET A CG 1 ATOM 90 S SD . MET A 1 15 ? -6.426 -10.873 0.550 1.00 29.26 ? 15 MET A SD 1 ATOM 91 C CE . MET A 1 15 ? -6.921 -11.620 2.112 1.00 25.45 ? 15 MET A CE 1 ATOM 92 N N . SER A 1 16 ? -1.881 -7.237 2.736 1.00 17.39 ? 16 SER A N 1 ATOM 93 C CA . SER A 1 16 ? -1.620 -5.835 2.965 1.00 18.00 ? 16 SER A CA 1 ATOM 94 C C . SER A 1 16 ? -0.981 -5.208 1.739 1.00 17.87 ? 16 SER A C 1 ATOM 95 O O . SER A 1 16 ? 0.033 -5.702 1.203 1.00 19.14 ? 16 SER A O 1 ATOM 96 C CB . SER A 1 16 ? -0.688 -5.641 4.208 1.00 16.30 ? 16 SER A CB 1 ATOM 97 O OG . SER A 1 16 ? -1.309 -6.170 5.348 1.00 19.42 ? 16 SER A OG 1 ATOM 98 N N . SER A 1 17 ? -1.515 -4.070 1.300 1.00 20.11 ? 17 SER A N 1 ATOM 99 C CA . SER A 1 17 ? -0.982 -3.351 0.152 1.00 19.98 ? 17 SER A CA 1 ATOM 100 C C . SER A 1 17 ? -0.488 -1.944 0.580 1.00 22.11 ? 17 SER A C 1 ATOM 101 O O . SER A 1 17 ? -1.204 -1.211 1.232 1.00 22.41 ? 17 SER A O 1 ATOM 102 C CB . SER A 1 17 ? -2.062 -3.125 -0.946 1.00 21.86 ? 17 SER A CB 1 ATOM 103 O OG . SER A 1 17 ? -2.582 -4.380 -1.380 1.00 26.48 ? 17 SER A OG 1 ATOM 104 N N . PHE A 1 18 ? 0.750 -1.626 0.235 1.00 20.72 ? 18 PHE A N 1 ATOM 105 C CA . PHE A 1 18 ? 1.342 -0.322 0.527 1.00 24.26 ? 18 PHE A CA 1 ATOM 106 C C . PHE A 1 18 ? 1.620 0.321 -0.808 1.00 26.73 ? 18 PHE A C 1 ATOM 107 O O . PHE A 1 18 ? 2.598 -0.010 -1.485 1.00 28.34 ? 18 PHE A O 1 ATOM 108 C CB . PHE A 1 18 ? 2.629 -0.477 1.366 1.00 22.42 ? 18 PHE A CB 1 ATOM 109 C CG . PHE A 1 18 ? 2.402 -1.157 2.729 1.00 24.99 ? 18 PHE A CG 1 ATOM 110 C CD1 . PHE A 1 18 ? 2.255 -2.538 2.818 1.00 22.27 ? 18 PHE A CD1 1 ATOM 111 C CD2 . PHE A 1 18 ? 2.306 -0.387 3.914 1.00 22.63 ? 18 PHE A CD2 1 ATOM 112 C CE1 . PHE A 1 18 ? 2.020 -3.187 4.068 1.00 22.72 ? 18 PHE A CE1 1 ATOM 113 C CE2 . PHE A 1 18 ? 2.090 -1.015 5.144 1.00 19.61 ? 18 PHE A CE2 1 ATOM 114 C CZ . PHE A 1 18 ? 1.898 -2.420 5.212 1.00 21.32 ? 18 PHE A CZ 1 ATOM 115 N N . ALA A 1 19 ? 0.763 1.274 -1.190 1.00 29.84 ? 19 ALA A N 1 ATOM 116 C CA . ALA A 1 19 ? 0.873 1.943 -2.491 1.00 31.32 ? 19 ALA A CA 1 ATOM 117 C C . ALA A 1 19 ? 1.990 2.970 -2.506 1.00 33.05 ? 19 ALA A C 1 ATOM 118 O O . ALA A 1 19 ? 2.691 3.111 -3.500 1.00 34.40 ? 19 ALA A O 1 ATOM 119 C CB . ALA A 1 19 ? -0.454 2.624 -2.863 1.00 30.93 ? 19 ALA A CB 1 ATOM 120 N N . ASN A 1 20 ? 2.127 3.724 -1.416 1.00 34.43 ? 20 ASN A N 1 ATOM 121 C CA . ASN A 1 20 ? 3.120 4.765 -1.295 1.00 34.93 ? 20 ASN A CA 1 ATOM 122 C C . ASN A 1 20 ? 3.101 5.200 0.163 1.00 35.05 ? 20 ASN A C 1 ATOM 123 O O . ASN A 1 20 ? 2.402 4.582 0.971 1.00 35.08 ? 20 ASN A O 1 ATOM 124 C CB . ASN A 1 20 ? 2.752 5.952 -2.178 1.00 36.21 ? 20 ASN A CB 1 ATOM 125 C CG . ASN A 1 20 ? 1.316 6.432 -1.943 1.00 39.85 ? 20 ASN A CG 1 ATOM 126 O OD1 . ASN A 1 20 ? 0.882 6.669 -0.799 1.00 36.00 ? 20 ASN A OD1 1 ATOM 127 N ND2 . ASN A 1 20 ? 0.580 6.579 -3.038 1.00 46.77 ? 20 ASN A ND2 1 ATOM 128 N N . ARG A 1 21 ? 3.833 6.264 0.500 1.00 34.99 ? 21 ARG A N 1 ATOM 129 C CA . ARG A 1 21 ? 3.967 6.736 1.883 1.00 34.80 ? 21 ARG A CA 1 ATOM 130 C C . ARG A 1 21 ? 2.629 6.987 2.583 1.00 33.47 ? 21 ARG A C 1 ATOM 131 O O . ARG A 1 21 ? 2.517 6.814 3.791 1.00 32.77 ? 21 ARG A O 1 ATOM 132 C CB . ARG A 1 21 ? 4.772 8.058 1.920 1.00 36.34 ? 21 ARG A CB 1 ATOM 133 C CG . ARG A 1 21 ? 6.280 7.923 1.694 1.00 39.45 ? 21 ARG A CG 1 ATOM 134 C CD . ARG A 1 21 ? 7.003 7.230 2.889 1.00 46.29 ? 21 ARG A CD 1 ATOM 135 N NE . ARG A 1 21 ? 8.180 6.437 2.474 1.00 48.50 ? 21 ARG A NE 1 ATOM 136 C CZ . ARG A 1 21 ? 9.415 6.923 2.293 1.00 49.52 ? 21 ARG A CZ 1 ATOM 137 N NH1 . ARG A 1 21 ? 9.683 8.219 2.509 1.00 49.07 ? 21 ARG A NH1 1 ATOM 138 N NH2 . ARG A 1 21 ? 10.390 6.110 1.900 1.00 48.38 ? 21 ARG A NH2 1 ATOM 139 N N . SER A 1 22 ? 1.642 7.456 1.835 1.00 32.19 ? 22 SER A N 1 ATOM 140 C CA . SER A 1 22 ? 0.394 7.936 2.422 1.00 31.63 ? 22 SER A CA 1 ATOM 141 C C . SER A 1 22 ? -0.787 6.996 2.242 1.00 31.64 ? 22 SER A C 1 ATOM 142 O O . SER A 1 22 ? -1.927 7.386 2.523 1.00 32.52 ? 22 SER A O 1 ATOM 143 C CB . SER A 1 22 ? -0.008 9.254 1.766 1.00 32.60 ? 22 SER A CB 1 ATOM 144 O OG . SER A 1 22 ? 1.039 10.179 1.926 1.00 30.55 ? 22 SER A OG 1 ATOM 145 N N . TRP A 1 23 ? -0.577 5.808 1.687 1.00 28.47 ? 23 TRP A N 1 ATOM 146 C CA . TRP A 1 23 ? -1.732 4.961 1.336 1.00 27.00 ? 23 TRP A CA 1 ATOM 147 C C . TRP A 1 23 ? -1.423 3.489 1.577 1.00 25.31 ? 23 TRP A C 1 ATOM 148 O O . TRP A 1 23 ? -0.471 2.945 1.008 1.00 24.55 ? 23 TRP A O 1 ATOM 149 C CB . TRP A 1 23 ? -2.079 5.110 -0.147 1.00 27.27 ? 23 TRP A CB 1 ATOM 150 C CG . TRP A 1 23 ? -3.373 4.507 -0.559 1.00 28.70 ? 23 TRP A CG 1 ATOM 151 C CD1 . TRP A 1 23 ? -4.566 5.174 -0.742 1.00 30.25 ? 23 TRP A CD1 1 ATOM 152 C CD2 . TRP A 1 23 ? -3.633 3.122 -0.901 1.00 29.30 ? 23 TRP A CD2 1 ATOM 153 N NE1 . TRP A 1 23 ? -5.551 4.283 -1.128 1.00 30.10 ? 23 TRP A NE1 1 ATOM 154 C CE2 . TRP A 1 23 ? -5.009 3.025 -1.230 1.00 30.42 ? 23 TRP A CE2 1 ATOM 155 C CE3 . TRP A 1 23 ? -2.849 1.939 -0.899 1.00 31.29 ? 23 TRP A CE3 1 ATOM 156 C CZ2 . TRP A 1 23 ? -5.610 1.810 -1.581 1.00 27.80 ? 23 TRP A CZ2 1 ATOM 157 C CZ3 . TRP A 1 23 ? -3.445 0.751 -1.263 1.00 28.30 ? 23 TRP A CZ3 1 ATOM 158 C CH2 . TRP A 1 23 ? -4.814 0.691 -1.604 1.00 32.20 ? 23 TRP A CH2 1 ATOM 159 N N . SER A 1 24 ? -2.212 2.824 2.395 1.00 23.92 ? 24 SER A N 1 ATOM 160 C CA . SER A 1 24 ? -2.010 1.371 2.501 1.00 23.95 ? 24 SER A CA 1 ATOM 161 C C . SER A 1 24 ? -3.305 0.819 2.960 1.00 23.03 ? 24 SER A C 1 ATOM 162 O O . SER A 1 24 ? -4.168 1.582 3.466 1.00 22.17 ? 24 SER A O 1 ATOM 163 C CB . SER A 1 24 ? -0.912 1.044 3.509 1.00 24.74 ? 24 SER A CB 1 ATOM 164 O OG . SER A 1 24 ? -1.451 1.001 4.824 1.00 28.07 ? 24 SER A OG 1 ATOM 165 N N . ARG A 1 25 ? -3.488 -0.475 2.782 1.00 21.05 ? 25 ARG A N 1 ATOM 166 C CA . ARG A 1 25 ? -4.643 -1.093 3.345 1.00 21.26 ? 25 ARG A CA 1 ATOM 167 C C . ARG A 1 25 ? -4.329 -2.502 3.766 1.00 21.46 ? 25 ARG A C 1 ATOM 168 O O . ARG A 1 25 ? -3.463 -3.142 3.171 1.00 20.43 ? 25 ARG A O 1 ATOM 169 C CB . ARG A 1 25 ? -5.865 -1.051 2.395 1.00 23.36 ? 25 ARG A CB 1 ATOM 170 C CG . ARG A 1 25 ? -5.937 -1.984 1.202 1.00 25.35 ? 25 ARG A CG 1 ATOM 171 C CD . ARG A 1 25 ? -7.393 -1.747 0.499 1.00 28.34 ? 25 ARG A CD 1 ATOM 172 N NE . ARG A 1 25 ? -8.490 -2.493 1.177 1.00 32.63 ? 25 ARG A NE 1 ATOM 173 C CZ . ARG A 1 25 ? -9.628 -1.958 1.644 1.00 32.32 ? 25 ARG A CZ 1 ATOM 174 N NH1 . ARG A 1 25 ? -9.872 -0.683 1.461 1.00 34.04 ? 25 ARG A NH1 1 ATOM 175 N NH2 . ARG A 1 25 ? -10.535 -2.686 2.275 1.00 33.10 ? 25 ARG A NH2 1 ATOM 176 N N . THR A 1 26 ? -5.020 -2.961 4.792 1.00 20.51 ? 26 THR A N 1 ATOM 177 C CA . THR A 1 26 ? -4.849 -4.380 5.246 1.00 19.54 ? 26 THR A CA 1 ATOM 178 C C . THR A 1 26 ? -6.210 -5.042 5.339 1.00 20.35 ? 26 THR A C 1 ATOM 179 O O . THR A 1 26 ? -7.113 -4.449 5.868 1.00 22.59 ? 26 THR A O 1 ATOM 180 C CB . THR A 1 26 ? -4.145 -4.450 6.613 1.00 19.85 ? 26 THR A CB 1 ATOM 181 O OG1 . THR A 1 26 ? -2.767 -4.039 6.473 1.00 19.98 ? 26 THR A OG1 1 ATOM 182 C CG2 . THR A 1 26 ? -4.178 -5.874 7.183 1.00 21.41 ? 26 THR A CG2 1 ATOM 183 N N . ASP A 1 27 ? -6.378 -6.221 4.757 1.00 19.65 ? 27 ASP A N 1 ATOM 184 C CA . ASP A 1 27 ? -7.647 -6.972 4.787 1.00 20.70 ? 27 ASP A CA 1 ATOM 185 C C . ASP A 1 27 ? -7.358 -8.400 5.119 1.00 21.50 ? 27 ASP A C 1 ATOM 186 O O . ASP A 1 27 ? -6.309 -8.982 4.672 1.00 22.20 ? 27 ASP A O 1 ATOM 187 C CB . ASP A 1 27 ? -8.370 -6.900 3.408 1.00 18.91 ? 27 ASP A CB 1 ATOM 188 C CG . ASP A 1 27 ? -8.674 -5.426 2.999 1.00 21.52 ? 27 ASP A CG 1 ATOM 189 O OD1 . ASP A 1 27 ? -7.909 -4.825 2.221 1.00 25.72 ? 27 ASP A OD1 1 ATOM 190 O OD2 . ASP A 1 27 ? -9.630 -4.832 3.509 1.00 21.30 ? 27 ASP A OD2 1 ATOM 191 N N . SER A 1 28 ? -8.247 -9.038 5.879 1.00 19.37 ? 28 SER A N 1 ATOM 192 C CA . SER A 1 28 ? -8.074 -10.506 6.124 1.00 19.63 ? 28 SER A CA 1 ATOM 193 C C . SER A 1 28 ? -9.342 -11.295 5.983 1.00 18.99 ? 28 SER A C 1 ATOM 194 O O . SER A 1 28 ? -10.472 -10.716 5.953 1.00 16.63 ? 28 SER A O 1 ATOM 195 C CB . SER A 1 28 ? -7.356 -10.788 7.484 1.00 21.00 ? 28 SER A CB 1 ATOM 196 O OG . SER A 1 28 ? -8.148 -10.151 8.451 1.00 26.85 ? 28 SER A OG 1 ATOM 197 N N . VAL A 1 29 ? -9.163 -12.580 5.738 1.00 18.55 ? 29 VAL A N 1 ATOM 198 C CA . VAL A 1 29 ? -10.261 -13.560 5.680 1.00 17.40 ? 29 VAL A CA 1 ATOM 199 C C . VAL A 1 29 ? -9.804 -14.763 6.429 1.00 18.23 ? 29 VAL A C 1 ATOM 200 O O . VAL A 1 29 ? -8.579 -15.019 6.532 1.00 18.97 ? 29 VAL A O 1 ATOM 201 C CB . VAL A 1 29 ? -10.665 -13.922 4.233 1.00 18.59 ? 29 VAL A CB 1 ATOM 202 C CG1 . VAL A 1 29 ? -11.168 -12.677 3.479 1.00 17.11 ? 29 VAL A CG1 1 ATOM 203 C CG2 . VAL A 1 29 ? -9.406 -14.427 3.338 1.00 16.55 ? 29 VAL A CG2 1 ATOM 204 N N . VAL A 1 30 ? -10.739 -15.544 6.969 1.00 17.29 ? 30 VAL A N 1 ATOM 205 C CA . VAL A 1 30 ? -10.356 -16.702 7.742 1.00 16.15 ? 30 VAL A CA 1 ATOM 206 C C . VAL A 1 30 ? -11.226 -17.848 7.299 1.00 17.77 ? 30 VAL A C 1 ATOM 207 O O . VAL A 1 30 ? -12.438 -17.630 7.053 1.00 16.66 ? 30 VAL A O 1 ATOM 208 C CB . VAL A 1 30 ? -10.705 -16.410 9.221 1.00 18.39 ? 30 VAL A CB 1 ATOM 209 C CG1 . VAL A 1 30 ? -10.339 -17.575 10.051 1.00 14.07 ? 30 VAL A CG1 1 ATOM 210 C CG2 . VAL A 1 30 ? -9.926 -15.167 9.706 1.00 15.11 ? 30 VAL A CG2 1 ATOM 211 N N . TRP A 1 31 ? -10.633 -19.021 7.107 1.00 14.77 ? 31 TRP A N 1 ATOM 212 C CA . TRP A 1 31 ? -11.296 -20.217 6.550 1.00 16.42 ? 31 TRP A CA 1 ATOM 213 C C . TRP A 1 31 ? -11.099 -21.306 7.565 1.00 17.72 ? 31 TRP A C 1 ATOM 214 O O . TRP A 1 31 ? -10.027 -21.364 8.142 1.00 18.02 ? 31 TRP A O 1 ATOM 215 C CB . TRP A 1 31 ? -10.573 -20.664 5.272 1.00 13.94 ? 31 TRP A CB 1 ATOM 216 C CG . TRP A 1 31 ? -10.683 -19.659 4.190 1.00 16.41 ? 31 TRP A CG 1 ATOM 217 C CD1 . TRP A 1 31 ? -9.831 -18.630 3.923 1.00 21.11 ? 31 TRP A CD1 1 ATOM 218 C CD2 . TRP A 1 31 ? -11.772 -19.541 3.266 1.00 18.27 ? 31 TRP A CD2 1 ATOM 219 N NE1 . TRP A 1 31 ? -10.317 -17.894 2.830 1.00 20.73 ? 31 TRP A NE1 1 ATOM 220 C CE2 . TRP A 1 31 ? -11.499 -18.445 2.416 1.00 19.29 ? 31 TRP A CE2 1 ATOM 221 C CE3 . TRP A 1 31 ? -12.917 -20.319 3.004 1.00 18.84 ? 31 TRP A CE3 1 ATOM 222 C CZ2 . TRP A 1 31 ? -12.361 -18.097 1.342 1.00 19.18 ? 31 TRP A CZ2 1 ATOM 223 C CZ3 . TRP A 1 31 ? -13.768 -19.961 1.967 1.00 16.88 ? 31 TRP A CZ3 1 ATOM 224 C CH2 . TRP A 1 31 ? -13.540 -18.840 1.196 1.00 18.43 ? 31 TRP A CH2 1 ATOM 225 N N . LEU A 1 32 ? -12.114 -22.136 7.800 1.00 17.24 ? 32 LEU A N 1 ATOM 226 C CA . LEU A 1 32 ? -11.956 -23.443 8.460 1.00 17.94 ? 32 LEU A CA 1 ATOM 227 C C . LEU A 1 32 ? -12.254 -24.476 7.381 1.00 18.37 ? 32 LEU A C 1 ATOM 228 O O . LEU A 1 32 ? -13.386 -24.543 6.854 1.00 16.91 ? 32 LEU A O 1 ATOM 229 C CB . LEU A 1 32 ? -12.894 -23.595 9.717 1.00 16.57 ? 32 LEU A CB 1 ATOM 230 C CG . LEU A 1 32 ? -12.950 -24.950 10.415 1.00 19.86 ? 32 LEU A CG 1 ATOM 231 C CD1 . LEU A 1 32 ? -11.531 -25.307 10.870 1.00 21.16 ? 32 LEU A CD1 1 ATOM 232 C CD2 . LEU A 1 32 ? -13.938 -24.803 11.646 1.00 14.65 ? 32 LEU A CD2 1 ATOM 233 N N . GLY A 1 33 ? -11.219 -25.164 6.889 1.00 18.70 ? 33 GLY A N 1 ATOM 234 C CA . GLY A 1 33 ? -11.457 -26.051 5.731 1.00 18.39 ? 33 GLY A CA 1 ATOM 235 C C . GLY A 1 33 ? -11.824 -25.138 4.552 1.00 17.62 ? 33 GLY A C 1 ATOM 236 O O . GLY A 1 33 ? -11.144 -24.172 4.241 1.00 17.75 ? 33 GLY A O 1 ATOM 237 N N . ASP A 1 34 ? -12.905 -25.448 3.847 1.00 16.48 ? 34 ASP A N 1 ATOM 238 C CA . ASP A 1 34 ? -13.290 -24.599 2.703 1.00 17.03 ? 34 ASP A CA 1 ATOM 239 C C . ASP A 1 34 ? -14.457 -23.648 3.055 1.00 16.47 ? 34 ASP A C 1 ATOM 240 O O . ASP A 1 34 ? -15.131 -23.147 2.135 1.00 16.90 ? 34 ASP A O 1 ATOM 241 C CB . ASP A 1 34 ? -13.737 -25.445 1.475 1.00 15.61 ? 34 ASP A CB 1 ATOM 242 C CG . ASP A 1 34 ? -14.755 -26.508 1.829 1.00 21.58 ? 34 ASP A CG 1 ATOM 243 O OD1 . ASP A 1 34 ? -15.346 -26.439 2.933 1.00 21.37 ? 34 ASP A OD1 1 ATOM 244 O OD2 . ASP A 1 34 ? -15.032 -27.374 1.004 1.00 17.67 ? 34 ASP A OD2 1 ATOM 245 N N . LEU A 1 35 ? -14.737 -23.460 4.350 1.00 15.12 ? 35 LEU A N 1 ATOM 246 C CA . LEU A 1 35 ? -15.812 -22.552 4.734 1.00 15.17 ? 35 LEU A CA 1 ATOM 247 C C . LEU A 1 35 ? -15.274 -21.275 5.369 1.00 15.37 ? 35 LEU A C 1 ATOM 248 O O . LEU A 1 35 ? -14.502 -21.365 6.295 1.00 16.62 ? 35 LEU A O 1 ATOM 249 C CB . LEU A 1 35 ? -16.756 -23.220 5.755 1.00 14.94 ? 35 LEU A CB 1 ATOM 250 C CG . LEU A 1 35 ? -17.503 -24.498 5.374 1.00 14.46 ? 35 LEU A CG 1 ATOM 251 C CD1 . LEU A 1 35 ? -18.463 -24.889 6.577 1.00 16.15 ? 35 LEU A CD1 1 ATOM 252 C CD2 . LEU A 1 35 ? -18.270 -24.371 4.043 1.00 16.37 ? 35 LEU A CD2 1 ATOM 253 N N . GLN A 1 36 ? -15.697 -20.109 4.879 1.00 17.72 ? 36 GLN A N 1 ATOM 254 C CA . GLN A 1 36 ? -15.261 -18.821 5.476 1.00 17.17 ? 36 GLN A CA 1 ATOM 255 C C . GLN A 1 36 ? -15.904 -18.524 6.841 1.00 19.93 ? 36 GLN A C 1 ATOM 256 O O . GLN A 1 36 ? -17.140 -18.703 7.017 1.00 16.93 ? 36 GLN A O 1 ATOM 257 C CB . GLN A 1 36 ? -15.494 -17.641 4.501 1.00 17.60 ? 36 GLN A CB 1 ATOM 258 C CG . GLN A 1 36 ? -14.875 -16.270 5.035 1.00 17.83 ? 36 GLN A CG 1 ATOM 259 C CD . GLN A 1 36 ? -15.049 -15.133 4.070 1.00 21.95 ? 36 GLN A CD 1 ATOM 260 O OE1 . GLN A 1 36 ? -15.637 -15.303 2.994 1.00 21.41 ? 36 GLN A OE1 1 ATOM 261 N NE2 . GLN A 1 36 ? -14.503 -13.970 4.406 1.00 16.48 ? 36 GLN A NE2 1 ATOM 262 N N . THR A 1 37 ? -15.065 -18.135 7.820 1.00 17.70 ? 37 THR A N 1 ATOM 263 C CA . THR A 1 37 ? -15.581 -17.850 9.205 1.00 18.53 ? 37 THR A CA 1 ATOM 264 C C . THR A 1 37 ? -15.557 -16.383 9.679 1.00 17.23 ? 37 THR A C 1 ATOM 265 O O . THR A 1 37 ? -16.411 -15.966 10.515 1.00 17.04 ? 37 THR A O 1 ATOM 266 C CB . THR A 1 37 ? -14.869 -18.725 10.236 1.00 18.82 ? 37 THR A CB 1 ATOM 267 O OG1 . THR A 1 37 ? -13.452 -18.478 10.141 1.00 18.14 ? 37 THR A OG1 1 ATOM 268 C CG2 . THR A 1 37 ? -15.140 -20.211 9.973 1.00 21.96 ? 37 THR A CG2 1 ATOM 269 N N . HIS A 1 38 ? -14.642 -15.605 9.124 1.00 15.54 ? 38 HIS A N 1 ATOM 270 C CA . HIS A 1 38 ? -14.460 -14.166 9.422 1.00 15.85 ? 38 HIS A CA 1 ATOM 271 C C . HIS A 1 38 ? -13.990 -13.448 8.224 1.00 17.00 ? 38 HIS A C 1 ATOM 272 O O . HIS A 1 38 ? -13.386 -14.041 7.292 1.00 17.29 ? 38 HIS A O 1 ATOM 273 C CB . HIS A 1 38 ? -13.359 -13.983 10.517 1.00 13.95 ? 38 HIS A CB 1 ATOM 274 C CG . HIS A 1 38 ? -13.587 -14.851 11.745 1.00 18.02 ? 38 HIS A CG 1 ATOM 275 N ND1 . HIS A 1 38 ? -13.382 -16.209 11.753 1.00 17.87 ? 38 HIS A ND1 1 ATOM 276 C CD2 . HIS A 1 38 ? -14.097 -14.551 12.969 1.00 19.78 ? 38 HIS A CD2 1 ATOM 277 C CE1 . HIS A 1 38 ? -13.688 -16.703 12.936 1.00 17.98 ? 38 HIS A CE1 1 ATOM 278 N NE2 . HIS A 1 38 ? -14.155 -15.719 13.688 1.00 18.88 ? 38 HIS A NE2 1 ATOM 279 N N . ARG A 1 39 ? -14.184 -12.138 8.261 1.00 17.14 ? 39 ARG A N 1 ATOM 280 C CA . ARG A 1 39 ? -13.489 -11.227 7.375 1.00 18.39 ? 39 ARG A CA 1 ATOM 281 C C . ARG A 1 39 ? -13.140 -10.056 8.267 1.00 18.09 ? 39 ARG A C 1 ATOM 282 O O . ARG A 1 39 ? -13.826 -9.768 9.242 1.00 18.48 ? 39 ARG A O 1 ATOM 283 C CB . ARG A 1 39 ? -14.359 -10.670 6.175 1.00 15.59 ? 39 ARG A CB 1 ATOM 284 C CG . ARG A 1 39 ? -15.677 -9.842 6.583 1.00 22.04 ? 39 ARG A CG 1 ATOM 285 C CD . ARG A 1 39 ? -16.504 -9.225 5.410 1.00 19.51 ? 39 ARG A CD 1 ATOM 286 N NE . ARG A 1 39 ? -16.911 -10.345 4.552 1.00 19.17 ? 39 ARG A NE 1 ATOM 287 C CZ . ARG A 1 39 ? -18.024 -11.017 4.658 1.00 20.16 ? 39 ARG A CZ 1 ATOM 288 N NH1 . ARG A 1 39 ? -18.968 -10.678 5.563 1.00 19.19 ? 39 ARG A NH1 1 ATOM 289 N NH2 . ARG A 1 39 ? -18.206 -12.062 3.859 1.00 23.11 ? 39 ARG A NH2 1 ATOM 290 N N . TRP A 1 40 ? -12.067 -9.398 7.911 1.00 18.17 ? 40 TRP A N 1 ATOM 291 C CA . TRP A 1 40 ? -11.721 -8.139 8.532 1.00 16.47 ? 40 TRP A CA 1 ATOM 292 C C . TRP A 1 40 ? -11.244 -7.144 7.494 1.00 17.88 ? 40 TRP A C 1 ATOM 293 O O . TRP A 1 40 ? -10.064 -7.139 7.059 1.00 15.81 ? 40 TRP A O 1 ATOM 294 C CB . TRP A 1 40 ? -10.648 -8.341 9.629 1.00 16.07 ? 40 TRP A CB 1 ATOM 295 C CG . TRP A 1 40 ? -10.470 -7.143 10.491 1.00 18.12 ? 40 TRP A CG 1 ATOM 296 C CD1 . TRP A 1 40 ? -11.353 -6.076 10.596 1.00 18.22 ? 40 TRP A CD1 1 ATOM 297 C CD2 . TRP A 1 40 ? -9.388 -6.874 11.410 1.00 19.94 ? 40 TRP A CD2 1 ATOM 298 N NE1 . TRP A 1 40 ? -10.859 -5.163 11.514 1.00 22.25 ? 40 TRP A NE1 1 ATOM 299 C CE2 . TRP A 1 40 ? -9.681 -5.640 12.046 1.00 20.73 ? 40 TRP A CE2 1 ATOM 300 C CE3 . TRP A 1 40 ? -8.219 -7.570 11.776 1.00 17.58 ? 40 TRP A CE3 1 ATOM 301 C CZ2 . TRP A 1 40 ? -8.811 -5.030 13.000 1.00 18.47 ? 40 TRP A CZ2 1 ATOM 302 C CZ3 . TRP A 1 40 ? -7.338 -6.939 12.767 1.00 17.87 ? 40 TRP A CZ3 1 ATOM 303 C CH2 . TRP A 1 40 ? -7.688 -5.705 13.364 1.00 21.23 ? 40 TRP A CH2 1 ATOM 304 N N . SER A 1 41 ? -12.181 -6.275 7.120 1.00 16.46 ? 41 SER A N 1 ATOM 305 C CA . SER A 1 41 ? -11.926 -5.241 6.173 1.00 18.53 ? 41 SER A CA 1 ATOM 306 C C . SER A 1 41 ? -11.033 -4.150 6.727 1.00 18.75 ? 41 SER A C 1 ATOM 307 O O . SER A 1 41 ? -11.108 -3.777 7.928 1.00 21.22 ? 41 SER A O 1 ATOM 308 C CB . SER A 1 41 ? -13.299 -4.622 5.692 1.00 19.87 ? 41 SER A CB 1 ATOM 309 O OG . SER A 1 41 ? -12.980 -3.482 4.911 1.00 24.32 ? 41 SER A OG 1 ATOM 310 N N . ASN A 1 42 ? -10.204 -3.552 5.859 1.00 19.45 ? 42 ASN A N 1 ATOM 311 C CA . ASN A 1 42 ? -9.471 -2.396 6.297 1.00 20.33 ? 42 ASN A CA 1 ATOM 312 C C . ASN A 1 42 ? -10.442 -1.329 6.808 1.00 21.84 ? 42 ASN A C 1 ATOM 313 O O . ASN A 1 42 ? -10.083 -0.584 7.712 1.00 21.16 ? 42 ASN A O 1 ATOM 314 C CB . ASN A 1 42 ? -8.698 -1.754 5.144 1.00 21.20 ? 42 ASN A CB 1 ATOM 315 C CG . ASN A 1 42 ? -7.690 -0.740 5.644 1.00 21.62 ? 42 ASN A CG 1 ATOM 316 O OD1 . ASN A 1 42 ? -6.619 -1.086 6.126 1.00 18.55 ? 42 ASN A OD1 1 ATOM 317 N ND2 . ASN A 1 42 ? -8.052 0.556 5.554 1.00 20.22 ? 42 ASN A ND2 1 ATOM 318 N N . ASP A 1 43 ? -11.627 -1.235 6.210 1.00 21.86 ? 43 ASP A N 1 ATOM 319 C CA . ASP A 1 43 ? -12.594 -0.144 6.507 1.00 23.68 ? 43 ASP A CA 1 ATOM 320 C C . ASP A 1 43 ? -13.225 -0.345 7.859 1.00 22.45 ? 43 ASP A C 1 ATOM 321 O O . ASP A 1 43 ? -13.931 0.526 8.372 1.00 22.42 ? 43 ASP A O 1 ATOM 322 C CB . ASP A 1 43 ? -13.761 -0.142 5.513 1.00 25.63 ? 43 ASP A CB 1 ATOM 323 C CG . ASP A 1 43 ? -13.356 0.275 4.117 1.00 29.80 ? 43 ASP A CG 1 ATOM 324 O OD1 . ASP A 1 43 ? -14.154 0.010 3.201 1.00 40.25 ? 43 ASP A OD1 1 ATOM 325 O OD2 . ASP A 1 43 ? -12.281 0.893 3.939 1.00 36.94 ? 43 ASP A OD2 1 ATOM 326 N N . SER A 1 44 ? -13.028 -1.521 8.412 1.00 21.33 ? 44 SER A N 1 ATOM 327 C CA . SER A 1 44 ? -13.702 -1.869 9.643 1.00 20.64 ? 44 SER A CA 1 ATOM 328 C C . SER A 1 44 ? -12.817 -1.816 10.886 1.00 20.40 ? 44 SER A C 1 ATOM 329 O O . SER A 1 44 ? -11.722 -2.337 10.936 1.00 19.51 ? 44 SER A O 1 ATOM 330 C CB . SER A 1 44 ? -14.306 -3.246 9.530 1.00 20.91 ? 44 SER A CB 1 ATOM 331 O OG . SER A 1 44 ? -15.015 -3.593 10.710 1.00 22.20 ? 44 SER A OG 1 ATOM 332 N N . ALA A 1 45 ? -13.385 -1.256 11.927 1.00 19.99 ? 45 ALA A N 1 ATOM 333 C CA . ALA A 1 45 ? -12.714 -1.216 13.203 1.00 21.77 ? 45 ALA A CA 1 ATOM 334 C C . ALA A 1 45 ? -12.649 -2.602 13.840 1.00 21.30 ? 45 ALA A C 1 ATOM 335 O O . ALA A 1 45 ? -11.696 -2.893 14.542 1.00 22.81 ? 45 ALA A O 1 ATOM 336 C CB . ALA A 1 45 ? -13.393 -0.238 14.124 1.00 20.97 ? 45 ALA A CB 1 ATOM 337 N N . THR A 1 46 ? -13.663 -3.434 13.624 1.00 21.46 ? 46 THR A N 1 ATOM 338 C CA . THR A 1 46 ? -13.677 -4.793 14.205 1.00 21.89 ? 46 THR A CA 1 ATOM 339 C C . THR A 1 46 ? -13.798 -5.962 13.164 1.00 23.00 ? 46 THR A C 1 ATOM 340 O O . THR A 1 46 ? -14.217 -5.771 11.990 1.00 22.20 ? 46 THR A O 1 ATOM 341 C CB . THR A 1 46 ? -14.837 -4.981 15.192 1.00 23.07 ? 46 THR A CB 1 ATOM 342 O OG1 . THR A 1 46 ? -16.076 -4.758 14.516 1.00 25.31 ? 46 THR A OG1 1 ATOM 343 C CG2 . THR A 1 46 ? -14.750 -3.946 16.377 1.00 22.80 ? 46 THR A CG2 1 ATOM 344 N N . ILE A 1 47 ? -13.522 -7.163 13.662 1.00 21.38 ? 47 ILE A N 1 ATOM 345 C CA . ILE A 1 47 ? -13.454 -8.351 12.861 1.00 22.73 ? 47 ILE A CA 1 ATOM 346 C C . ILE A 1 47 ? -14.888 -8.820 12.748 1.00 22.47 ? 47 ILE A C 1 ATOM 347 O O . ILE A 1 47 ? -15.607 -8.874 13.772 1.00 22.21 ? 47 ILE A O 1 ATOM 348 C CB . ILE A 1 47 ? -12.587 -9.430 13.570 1.00 21.96 ? 47 ILE A CB 1 ATOM 349 C CG1 . ILE A 1 47 ? -11.120 -9.014 13.662 1.00 23.32 ? 47 ILE A CG1 1 ATOM 350 C CG2 . ILE A 1 47 ? -12.752 -10.862 12.959 1.00 22.09 ? 47 ILE A CG2 1 ATOM 351 C CD1 . ILE A 1 47 ? -10.428 -9.901 14.690 1.00 25.23 ? 47 ILE A CD1 1 ATOM 352 N N . SER A 1 48 ? -15.326 -9.116 11.524 1.00 20.53 ? 48 SER A N 1 ATOM 353 C CA . SER A 1 48 ? -16.740 -9.460 11.246 1.00 22.37 ? 48 SER A CA 1 ATOM 354 C C . SER A 1 48 ? -16.892 -10.978 11.219 1.00 21.37 ? 48 SER A C 1 ATOM 355 O O . SER A 1 48 ? -16.006 -11.730 10.718 1.00 22.31 ? 48 SER A O 1 ATOM 356 C CB . SER A 1 48 ? -17.209 -8.830 9.943 1.00 23.21 ? 48 SER A CB 1 ATOM 357 O OG . SER A 1 48 ? -16.791 -7.483 9.887 1.00 26.53 ? 48 SER A OG 1 ATOM 358 N N . PHE A 1 49 ? -18.004 -11.437 11.769 1.00 20.85 ? 49 PHE A N 1 ATOM 359 C CA . PHE A 1 49 ? -18.395 -12.853 11.714 1.00 19.58 ? 49 PHE A CA 1 ATOM 360 C C . PHE A 1 49 ? -19.093 -13.139 10.431 1.00 18.82 ? 49 PHE A C 1 ATOM 361 O O . PHE A 1 49 ? -19.984 -12.350 9.995 1.00 19.89 ? 49 PHE A O 1 ATOM 362 C CB . PHE A 1 49 ? -19.333 -13.258 12.880 1.00 18.94 ? 49 PHE A CB 1 ATOM 363 C CG . PHE A 1 49 ? -18.748 -13.025 14.224 1.00 20.40 ? 49 PHE A CG 1 ATOM 364 C CD1 . PHE A 1 49 ? -17.366 -13.150 14.446 1.00 20.22 ? 49 PHE A CD1 1 ATOM 365 C CD2 . PHE A 1 49 ? -19.580 -12.671 15.294 1.00 23.35 ? 49 PHE A CD2 1 ATOM 366 C CE1 . PHE A 1 49 ? -16.835 -12.959 15.704 1.00 23.43 ? 49 PHE A CE1 1 ATOM 367 C CE2 . PHE A 1 49 ? -19.034 -12.465 16.540 1.00 21.76 ? 49 PHE A CE2 1 ATOM 368 C CZ . PHE A 1 49 ? -17.679 -12.590 16.756 1.00 18.80 ? 49 PHE A CZ 1 ATOM 369 N N . THR A 1 50 ? -18.708 -14.249 9.786 1.00 18.42 ? 50 THR A N 1 ATOM 370 C CA . THR A 1 50 ? -19.473 -14.768 8.615 1.00 18.95 ? 50 THR A CA 1 ATOM 371 C C . THR A 1 50 ? -20.239 -16.057 8.894 1.00 20.26 ? 50 THR A C 1 ATOM 372 O O . THR A 1 50 ? -20.825 -16.610 7.982 1.00 22.13 ? 50 THR A O 1 ATOM 373 C CB . THR A 1 50 ? -18.557 -14.958 7.357 1.00 20.79 ? 50 THR A CB 1 ATOM 374 O OG1 . THR A 1 50 ? -17.609 -15.991 7.628 1.00 15.97 ? 50 THR A OG1 1 ATOM 375 C CG2 . THR A 1 50 ? -17.797 -13.598 7.109 1.00 18.54 ? 50 THR A CG2 1 ATOM 376 N N . LYS A 1 51 ? -20.303 -16.501 10.152 1.00 18.73 ? 51 LYS A N 1 ATOM 377 C CA . LYS A 1 51 ? -21.178 -17.597 10.511 1.00 18.46 ? 51 LYS A CA 1 ATOM 378 C C . LYS A 1 51 ? -21.778 -17.261 11.858 1.00 17.39 ? 51 LYS A C 1 ATOM 379 O O . LYS A 1 51 ? -21.173 -16.486 12.623 1.00 16.35 ? 51 LYS A O 1 ATOM 380 C CB . LYS A 1 51 ? -20.361 -18.891 10.599 1.00 15.93 ? 51 LYS A CB 1 ATOM 381 C CG . LYS A 1 51 ? -19.769 -19.363 9.226 1.00 18.09 ? 51 LYS A CG 1 ATOM 382 C CD . LYS A 1 51 ? -20.882 -20.018 8.337 1.00 15.20 ? 51 LYS A CD 1 ATOM 383 C CE . LYS A 1 51 ? -20.292 -20.547 7.002 1.00 15.76 ? 51 LYS A CE 1 ATOM 384 N NZ . LYS A 1 51 ? -19.685 -19.471 6.169 1.00 18.88 ? 51 LYS A NZ 1 ATOM 385 N N . PRO A 1 52 ? -22.910 -17.904 12.177 1.00 18.04 ? 52 PRO A N 1 ATOM 386 C CA . PRO A 1 52 ? -23.547 -17.819 13.483 1.00 17.62 ? 52 PRO A CA 1 ATOM 387 C C . PRO A 1 52 ? -22.600 -18.336 14.570 1.00 17.58 ? 52 PRO A C 1 ATOM 388 O O . PRO A 1 52 ? -22.694 -17.926 15.710 1.00 17.98 ? 52 PRO A O 1 ATOM 389 C CB . PRO A 1 52 ? -24.718 -18.796 13.401 1.00 19.49 ? 52 PRO A CB 1 ATOM 390 C CG . PRO A 1 52 ? -24.807 -19.314 12.070 1.00 18.93 ? 52 PRO A CG 1 ATOM 391 C CD . PRO A 1 52 ? -23.532 -18.914 11.292 1.00 17.00 ? 52 PRO A CD 1 ATOM 392 N N . TRP A 1 53 ? -21.703 -19.243 14.210 1.00 17.62 ? 53 TRP A N 1 ATOM 393 C CA . TRP A 1 53 ? -20.754 -19.828 15.179 1.00 17.78 ? 53 TRP A CA 1 ATOM 394 C C . TRP A 1 53 ? -19.277 -19.275 15.043 1.00 18.81 ? 53 TRP A C 1 ATOM 395 O O . TRP A 1 53 ? -18.347 -19.881 15.590 1.00 20.63 ? 53 TRP A O 1 ATOM 396 C CB . TRP A 1 53 ? -20.762 -21.348 14.969 1.00 18.34 ? 53 TRP A CB 1 ATOM 397 C CG . TRP A 1 53 ? -20.675 -21.786 13.481 1.00 16.49 ? 53 TRP A CG 1 ATOM 398 C CD1 . TRP A 1 53 ? -21.719 -22.033 12.642 1.00 20.64 ? 53 TRP A CD1 1 ATOM 399 C CD2 . TRP A 1 53 ? -19.476 -22.108 12.716 1.00 17.55 ? 53 TRP A CD2 1 ATOM 400 N NE1 . TRP A 1 53 ? -21.254 -22.440 11.387 1.00 20.02 ? 53 TRP A NE1 1 ATOM 401 C CE2 . TRP A 1 53 ? -19.883 -22.455 11.411 1.00 16.33 ? 53 TRP A CE2 1 ATOM 402 C CE3 . TRP A 1 53 ? -18.124 -22.062 12.991 1.00 18.70 ? 53 TRP A CE3 1 ATOM 403 C CZ2 . TRP A 1 53 ? -18.970 -22.837 10.403 1.00 14.30 ? 53 TRP A CZ2 1 ATOM 404 C CZ3 . TRP A 1 53 ? -17.209 -22.400 11.982 1.00 21.28 ? 53 TRP A CZ3 1 ATOM 405 C CH2 . TRP A 1 53 ? -17.649 -22.789 10.702 1.00 17.59 ? 53 TRP A CH2 1 ATOM 406 N N . SER A 1 54 ? -19.068 -18.100 14.430 1.00 18.11 ? 54 SER A N 1 ATOM 407 C CA . SER A 1 54 ? -17.699 -17.521 14.272 1.00 17.15 ? 54 SER A CA 1 ATOM 408 C C . SER A 1 54 ? -16.990 -17.166 15.585 1.00 18.00 ? 54 SER A C 1 ATOM 409 O O . SER A 1 54 ? -15.777 -17.031 15.576 1.00 17.87 ? 54 SER A O 1 ATOM 410 C CB . SER A 1 54 ? -17.720 -16.332 13.348 1.00 19.18 ? 54 SER A CB 1 ATOM 411 O OG . SER A 1 54 ? -18.129 -16.761 12.022 1.00 15.85 ? 54 SER A OG 1 ATOM 412 N N . GLN A 1 55 ? -17.717 -17.101 16.716 1.00 16.62 ? 55 GLN A N 1 ATOM 413 C CA . GLN A 1 55 ? -17.023 -16.851 17.969 1.00 18.96 ? 55 GLN A CA 1 ATOM 414 C C . GLN A 1 55 ? -16.580 -18.162 18.644 1.00 19.05 ? 55 GLN A C 1 ATOM 415 O O . GLN A 1 55 ? -16.043 -18.122 19.749 1.00 21.17 ? 55 GLN A O 1 ATOM 416 C CB . GLN A 1 55 ? -17.946 -16.057 18.916 1.00 17.99 ? 55 GLN A CB 1 ATOM 417 C CG . GLN A 1 55 ? -17.209 -15.219 19.995 1.00 20.30 ? 55 GLN A CG 1 ATOM 418 C CD . GLN A 1 55 ? -18.209 -14.256 20.697 1.00 23.02 ? 55 GLN A CD 1 ATOM 419 O OE1 . GLN A 1 55 ? -18.897 -13.469 20.028 1.00 20.27 ? 55 GLN A OE1 1 ATOM 420 N NE2 . GLN A 1 55 ? -18.306 -14.345 22.005 1.00 22.65 ? 55 GLN A NE2 1 ATOM 421 N N . GLY A 1 56 ? -16.861 -19.313 18.030 1.00 18.87 ? 56 GLY A N 1 ATOM 422 C CA . GLY A 1 56 ? -16.512 -20.598 18.612 1.00 19.39 ? 56 GLY A CA 1 ATOM 423 C C . GLY A 1 56 ? -17.123 -20.671 20.025 1.00 22.12 ? 56 GLY A C 1 ATOM 424 O O . GLY A 1 56 ? -18.310 -20.315 20.248 1.00 21.40 ? 56 GLY A O 1 ATOM 425 N N . LYS A 1 57 ? -16.325 -21.128 20.974 1.00 23.07 ? 57 LYS A N 1 ATOM 426 C CA . LYS A 1 57 ? -16.780 -21.198 22.399 1.00 24.76 ? 57 LYS A CA 1 ATOM 427 C C . LYS A 1 57 ? -16.229 -20.059 23.278 1.00 25.82 ? 57 LYS A C 1 ATOM 428 O O . LYS A 1 57 ? -16.310 -20.121 24.497 1.00 26.59 ? 57 LYS A O 1 ATOM 429 C CB . LYS A 1 57 ? -16.426 -22.573 22.972 1.00 23.80 ? 57 LYS A CB 1 ATOM 430 C CG . LYS A 1 57 ? -17.099 -23.728 22.198 1.00 27.49 ? 57 LYS A CG 1 ATOM 431 C CD . LYS A 1 57 ? -16.592 -25.075 22.661 1.00 30.28 ? 57 LYS A CD 1 ATOM 432 C CE . LYS A 1 57 ? -17.462 -25.587 23.804 1.00 33.40 ? 57 LYS A CE 1 ATOM 433 N NZ . LYS A 1 57 ? -16.741 -26.547 24.667 1.00 36.43 ? 57 LYS A NZ 1 ATOM 434 N N . LEU A 1 58 ? -15.663 -19.030 22.673 1.00 26.33 ? 58 LEU A N 1 ATOM 435 C CA . LEU A 1 58 ? -15.236 -17.888 23.447 1.00 25.92 ? 58 LEU A CA 1 ATOM 436 C C . LEU A 1 58 ? -16.414 -17.028 23.922 1.00 26.32 ? 58 LEU A C 1 ATOM 437 O O . LEU A 1 58 ? -17.445 -16.861 23.193 1.00 23.90 ? 58 LEU A O 1 ATOM 438 C CB . LEU A 1 58 ? -14.265 -17.060 22.625 1.00 26.20 ? 58 LEU A CB 1 ATOM 439 C CG . LEU A 1 58 ? -13.027 -17.783 22.066 1.00 25.03 ? 58 LEU A CG 1 ATOM 440 C CD1 . LEU A 1 58 ? -12.091 -16.698 21.635 1.00 27.11 ? 58 LEU A CD1 1 ATOM 441 C CD2 . LEU A 1 58 ? -12.299 -18.634 23.073 1.00 29.27 ? 58 LEU A CD2 1 ATOM 442 N N . SER A 1 59 ? -16.266 -16.514 25.162 1.00 27.08 ? 59 SER A N 1 ATOM 443 C CA . SER A 1 59 ? -17.228 -15.580 25.789 1.00 26.58 ? 59 SER A CA 1 ATOM 444 C C . SER A 1 59 ? -17.101 -14.198 25.157 1.00 27.52 ? 59 SER A C 1 ATOM 445 O O . SER A 1 59 ? -16.068 -13.866 24.533 1.00 26.06 ? 59 SER A O 1 ATOM 446 C CB . SER A 1 59 ? -16.921 -15.410 27.266 1.00 27.34 ? 59 SER A CB 1 ATOM 447 O OG . SER A 1 59 ? -15.653 -14.788 27.434 1.00 26.07 ? 59 SER A OG 1 ATOM 448 N N . ASN A 1 60 ? -18.151 -13.391 25.303 1.00 27.43 ? 60 ASN A N 1 ATOM 449 C CA . ASN A 1 60 ? -18.106 -12.059 24.698 1.00 27.54 ? 60 ASN A CA 1 ATOM 450 C C . ASN A 1 60 ? -16.810 -11.345 25.149 1.00 26.97 ? 60 ASN A C 1 ATOM 451 O O . ASN A 1 60 ? -16.074 -10.670 24.388 1.00 25.69 ? 60 ASN A O 1 ATOM 452 C CB . ASN A 1 60 ? -19.388 -11.272 25.045 1.00 27.14 ? 60 ASN A CB 1 ATOM 453 C CG . ASN A 1 60 ? -20.542 -11.602 24.116 1.00 27.56 ? 60 ASN A CG 1 ATOM 454 O OD1 . ASN A 1 60 ? -20.466 -12.565 23.320 1.00 25.88 ? 60 ASN A OD1 1 ATOM 455 N ND2 . ASN A 1 60 ? -21.626 -10.809 24.189 1.00 23.96 ? 60 ASN A ND2 1 ATOM 456 N N . GLN A 1 61 ? -16.482 -11.554 26.404 1.00 27.48 ? 61 GLN A N 1 ATOM 457 C CA . GLN A 1 61 ? -15.312 -10.888 26.936 1.00 26.91 ? 61 GLN A CA 1 ATOM 458 C C . GLN A 1 61 ? -14.004 -11.519 26.414 1.00 26.54 ? 61 GLN A C 1 ATOM 459 O O . GLN A 1 61 ? -13.018 -10.814 26.165 1.00 24.71 ? 61 GLN A O 1 ATOM 460 C CB . GLN A 1 61 ? -15.398 -10.834 28.467 1.00 27.61 ? 61 GLN A CB 1 ATOM 461 C CG . GLN A 1 61 ? -14.746 -9.614 29.076 1.00 29.96 ? 61 GLN A CG 1 ATOM 462 C CD . GLN A 1 61 ? -13.417 -9.919 29.694 1.00 34.69 ? 61 GLN A CD 1 ATOM 463 O OE1 . GLN A 1 61 ? -12.411 -10.091 28.985 1.00 37.75 ? 61 GLN A OE1 1 ATOM 464 N NE2 . GLN A 1 61 ? -13.383 -9.964 31.039 1.00 36.58 ? 61 GLN A NE2 1 ATOM 465 N N . GLN A 1 62 ? -13.939 -12.832 26.237 1.00 26.56 ? 62 GLN A N 1 ATOM 466 C CA . GLN A 1 62 ? -12.617 -13.328 25.787 1.00 27.78 ? 62 GLN A CA 1 ATOM 467 C C . GLN A 1 62 ? -12.472 -12.986 24.264 1.00 25.50 ? 62 GLN A C 1 ATOM 468 O O . GLN A 1 62 ? -11.388 -12.721 23.794 1.00 25.55 ? 62 GLN A O 1 ATOM 469 C CB . GLN A 1 62 ? -12.362 -14.832 26.024 1.00 28.98 ? 62 GLN A CB 1 ATOM 470 C CG . GLN A 1 62 ? -13.128 -15.545 27.139 1.00 34.35 ? 62 GLN A CG 1 ATOM 471 C CD . GLN A 1 62 ? -13.213 -17.053 26.860 1.00 41.23 ? 62 GLN A CD 1 ATOM 472 O OE1 . GLN A 1 62 ? -14.297 -17.651 26.908 1.00 41.78 ? 62 GLN A OE1 1 ATOM 473 N NE2 . GLN A 1 62 ? -12.070 -17.661 26.509 1.00 44.04 ? 62 GLN A NE2 1 ATOM 474 N N . TRP A 1 63 ? -13.583 -12.934 23.546 1.00 24.74 ? 63 TRP A N 1 ATOM 475 C CA . TRP A 1 63 ? -13.505 -12.546 22.134 1.00 24.16 ? 63 TRP A CA 1 ATOM 476 C C . TRP A 1 63 ? -12.970 -11.120 22.041 1.00 23.35 ? 63 TRP A C 1 ATOM 477 O O . TRP A 1 63 ? -12.110 -10.875 21.260 1.00 20.79 ? 63 TRP A O 1 ATOM 478 C CB . TRP A 1 63 ? -14.850 -12.656 21.419 1.00 24.10 ? 63 TRP A CB 1 ATOM 479 C CG . TRP A 1 63 ? -14.767 -12.131 20.014 1.00 24.28 ? 63 TRP A CG 1 ATOM 480 C CD1 . TRP A 1 63 ? -15.266 -10.934 19.537 1.00 25.72 ? 63 TRP A CD1 1 ATOM 481 C CD2 . TRP A 1 63 ? -14.055 -12.734 18.929 1.00 23.48 ? 63 TRP A CD2 1 ATOM 482 N NE1 . TRP A 1 63 ? -14.891 -10.770 18.218 1.00 21.71 ? 63 TRP A NE1 1 ATOM 483 C CE2 . TRP A 1 63 ? -14.188 -11.885 17.819 1.00 25.96 ? 63 TRP A CE2 1 ATOM 484 C CE3 . TRP A 1 63 ? -13.351 -13.936 18.779 1.00 22.92 ? 63 TRP A CE3 1 ATOM 485 C CZ2 . TRP A 1 63 ? -13.620 -12.192 16.576 1.00 23.06 ? 63 TRP A CZ2 1 ATOM 486 C CZ3 . TRP A 1 63 ? -12.790 -14.246 17.508 1.00 23.31 ? 63 TRP A CZ3 1 ATOM 487 C CH2 . TRP A 1 63 ? -12.953 -13.385 16.451 1.00 24.34 ? 63 TRP A CH2 1 ATOM 488 N N . GLU A 1 64 ? -13.487 -10.188 22.851 1.00 23.13 ? 64 GLU A N 1 ATOM 489 C CA . GLU A 1 64 ? -13.036 -8.772 22.850 1.00 24.30 ? 64 GLU A CA 1 ATOM 490 C C . GLU A 1 64 ? -11.543 -8.621 23.097 1.00 24.04 ? 64 GLU A C 1 ATOM 491 O O . GLU A 1 64 ? -10.921 -7.678 22.613 1.00 24.12 ? 64 GLU A O 1 ATOM 492 C CB . GLU A 1 64 ? -13.783 -7.942 23.919 1.00 24.72 ? 64 GLU A CB 1 ATOM 493 C CG . GLU A 1 64 ? -15.186 -7.596 23.533 1.00 31.90 ? 64 GLU A CG 1 ATOM 494 C CD . GLU A 1 64 ? -15.262 -6.818 22.223 1.00 36.86 ? 64 GLU A CD 1 ATOM 495 O OE1 . GLU A 1 64 ? -14.557 -5.787 22.084 1.00 41.28 ? 64 GLU A OE1 1 ATOM 496 O OE2 . GLU A 1 64 ? -16.032 -7.235 21.336 1.00 39.86 ? 64 GLU A OE2 1 ATOM 497 N N . LYS A 1 65 ? -10.977 -9.509 23.917 1.00 24.46 ? 65 LYS A N 1 ATOM 498 C CA . LYS A 1 65 ? -9.557 -9.400 24.277 1.00 24.29 ? 65 LYS A CA 1 ATOM 499 C C . LYS A 1 65 ? -8.720 -9.932 23.150 1.00 23.87 ? 65 LYS A C 1 ATOM 500 O O . LYS A 1 65 ? -7.687 -9.382 22.854 1.00 23.84 ? 65 LYS A O 1 ATOM 501 C CB . LYS A 1 65 ? -9.220 -10.204 25.520 1.00 24.18 ? 65 LYS A CB 1 ATOM 502 C CG . LYS A 1 65 ? -9.165 -9.340 26.755 1.00 28.46 ? 65 LYS A CG 1 ATOM 503 C CD . LYS A 1 65 ? -8.617 -10.116 27.920 1.00 32.41 ? 65 LYS A CD 1 ATOM 504 C CE . LYS A 1 65 ? -9.444 -11.339 28.123 1.00 31.33 ? 65 LYS A CE 1 ATOM 505 N NZ . LYS A 1 65 ? -9.681 -11.436 29.577 1.00 34.97 ? 65 LYS A NZ 1 ATOM 506 N N . LEU A 1 66 ? -9.154 -11.045 22.562 1.00 23.41 ? 66 LEU A N 1 ATOM 507 C CA . LEU A 1 66 ? -8.509 -11.541 21.333 1.00 23.28 ? 66 LEU A CA 1 ATOM 508 C C . LEU A 1 66 ? -8.640 -10.471 20.223 1.00 23.40 ? 66 LEU A C 1 ATOM 509 O O . LEU A 1 66 ? -7.661 -10.080 19.578 1.00 23.17 ? 66 LEU A O 1 ATOM 510 C CB . LEU A 1 66 ? -9.180 -12.855 20.936 1.00 25.16 ? 66 LEU A CB 1 ATOM 511 C CG . LEU A 1 66 ? -8.485 -13.761 19.944 1.00 26.72 ? 66 LEU A CG 1 ATOM 512 C CD1 . LEU A 1 66 ? -6.982 -13.958 20.376 1.00 30.65 ? 66 LEU A CD1 1 ATOM 513 C CD2 . LEU A 1 66 ? -9.228 -15.072 19.869 1.00 29.40 ? 66 LEU A CD2 1 ATOM 514 N N . GLN A 1 67 ? -9.849 -9.970 19.988 1.00 22.56 ? 67 GLN A N 1 ATOM 515 C CA . GLN A 1 67 ? -9.984 -8.858 19.056 1.00 23.10 ? 67 GLN A CA 1 ATOM 516 C C . GLN A 1 67 ? -9.055 -7.713 19.405 1.00 22.76 ? 67 GLN A C 1 ATOM 517 O O . GLN A 1 67 ? -8.446 -7.118 18.529 1.00 22.14 ? 67 GLN A O 1 ATOM 518 C CB . GLN A 1 67 ? -11.418 -8.303 19.035 1.00 23.91 ? 67 GLN A CB 1 ATOM 519 C CG . GLN A 1 67 ? -11.649 -7.308 17.886 1.00 26.66 ? 67 GLN A CG 1 ATOM 520 C CD . GLN A 1 67 ? -13.130 -6.996 17.680 1.00 30.78 ? 67 GLN A CD 1 ATOM 521 O OE1 . GLN A 1 67 ? -13.725 -7.244 16.592 1.00 30.93 ? 67 GLN A OE1 1 ATOM 522 N NE2 . GLN A 1 67 ? -13.748 -6.453 18.736 1.00 26.31 ? 67 GLN A NE2 1 ATOM 523 N N . HIS A 1 68 ? -8.987 -7.343 20.686 1.00 22.68 ? 68 HIS A N 1 ATOM 524 C CA . HIS A 1 68 ? -8.131 -6.205 21.081 1.00 23.12 ? 68 HIS A CA 1 ATOM 525 C C . HIS A 1 68 ? -6.671 -6.421 20.650 1.00 22.59 ? 68 HIS A C 1 ATOM 526 O O . HIS A 1 68 ? -5.953 -5.516 20.166 1.00 20.71 ? 68 HIS A O 1 ATOM 527 C CB . HIS A 1 68 ? -8.148 -6.035 22.598 1.00 23.30 ? 68 HIS A CB 1 ATOM 528 C CG . HIS A 1 68 ? -7.225 -4.953 23.081 1.00 28.02 ? 68 HIS A CG 1 ATOM 529 N ND1 . HIS A 1 68 ? -7.486 -3.608 22.886 1.00 30.46 ? 68 HIS A ND1 1 ATOM 530 C CD2 . HIS A 1 68 ? -6.020 -5.013 23.714 1.00 30.09 ? 68 HIS A CD2 1 ATOM 531 C CE1 . HIS A 1 68 ? -6.510 -2.886 23.414 1.00 29.82 ? 68 HIS A CE1 1 ATOM 532 N NE2 . HIS A 1 68 ? -5.603 -3.712 23.912 1.00 31.78 ? 68 HIS A NE2 1 ATOM 533 N N . MET A 1 69 ? -6.208 -7.623 20.910 1.00 22.60 ? 69 MET A N 1 ATOM 534 C CA . MET A 1 69 ? -4.842 -7.923 20.543 1.00 23.59 ? 69 MET A CA 1 ATOM 535 C C . MET A 1 69 ? -4.587 -7.719 19.019 1.00 22.47 ? 69 MET A C 1 ATOM 536 O O . MET A 1 69 ? -3.574 -7.144 18.596 1.00 23.06 ? 69 MET A O 1 ATOM 537 C CB . MET A 1 69 ? -4.529 -9.343 20.961 1.00 23.86 ? 69 MET A CB 1 ATOM 538 C CG . MET A 1 69 ? -3.123 -9.778 20.514 1.00 30.20 ? 69 MET A CG 1 ATOM 539 S SD . MET A 1 69 ? -3.163 -11.539 20.700 1.00 46.29 ? 69 MET A SD 1 ATOM 540 C CE . MET A 1 69 ? -3.906 -11.582 22.337 1.00 38.92 ? 69 MET A CE 1 ATOM 541 N N . PHE A 1 70 ? -5.541 -8.157 18.194 1.00 21.60 ? 70 PHE A N 1 ATOM 542 C CA . PHE A 1 70 ? -5.403 -8.028 16.726 1.00 20.70 ? 70 PHE A CA 1 ATOM 543 C C . PHE A 1 70 ? -5.511 -6.600 16.313 1.00 20.94 ? 70 PHE A C 1 ATOM 544 O O . PHE A 1 70 ? -4.865 -6.161 15.353 1.00 20.29 ? 70 PHE A O 1 ATOM 545 C CB . PHE A 1 70 ? -6.439 -8.908 16.022 1.00 19.73 ? 70 PHE A CB 1 ATOM 546 C CG . PHE A 1 70 ? -6.008 -10.334 15.951 1.00 22.72 ? 70 PHE A CG 1 ATOM 547 C CD1 . PHE A 1 70 ? -4.842 -10.688 15.234 1.00 24.75 ? 70 PHE A CD1 1 ATOM 548 C CD2 . PHE A 1 70 ? -6.672 -11.315 16.631 1.00 25.12 ? 70 PHE A CD2 1 ATOM 549 C CE1 . PHE A 1 70 ? -4.418 -12.040 15.192 1.00 30.13 ? 70 PHE A CE1 1 ATOM 550 C CE2 . PHE A 1 70 ? -6.259 -12.647 16.584 1.00 28.71 ? 70 PHE A CE2 1 ATOM 551 C CZ . PHE A 1 70 ? -5.124 -13.007 15.844 1.00 28.33 ? 70 PHE A CZ 1 ATOM 552 N N . GLN A 1 71 ? -6.372 -5.852 17.021 1.00 19.57 ? 71 GLN A N 1 ATOM 553 C CA . GLN A 1 71 ? -6.503 -4.469 16.713 1.00 20.37 ? 71 GLN A CA 1 ATOM 554 C C . GLN A 1 71 ? -5.191 -3.723 16.918 1.00 20.66 ? 71 GLN A C 1 ATOM 555 O O . GLN A 1 71 ? -4.839 -2.863 16.092 1.00 21.57 ? 71 GLN A O 1 ATOM 556 C CB . GLN A 1 71 ? -7.610 -3.817 17.575 1.00 19.17 ? 71 GLN A CB 1 ATOM 557 C CG . GLN A 1 71 ? -8.991 -3.990 16.963 1.00 20.18 ? 71 GLN A CG 1 ATOM 558 C CD . GLN A 1 71 ? -10.088 -3.617 17.937 1.00 22.97 ? 71 GLN A CD 1 ATOM 559 O OE1 . GLN A 1 71 ? -9.870 -3.619 19.142 1.00 25.03 ? 71 GLN A OE1 1 ATOM 560 N NE2 . GLN A 1 71 ? -11.282 -3.319 17.415 1.00 23.34 ? 71 GLN A NE2 1 ATOM 561 N N . VAL A 1 72 ? -4.500 -4.006 18.014 1.00 19.45 ? 72 VAL A N 1 ATOM 562 C CA . VAL A 1 72 ? -3.181 -3.406 18.249 1.00 20.39 ? 72 VAL A CA 1 ATOM 563 C C . VAL A 1 72 ? -2.120 -3.881 17.228 1.00 19.90 ? 72 VAL A C 1 ATOM 564 O O . VAL A 1 72 ? -1.304 -3.105 16.715 1.00 19.16 ? 72 VAL A O 1 ATOM 565 C CB . VAL A 1 72 ? -2.665 -3.652 19.676 1.00 20.13 ? 72 VAL A CB 1 ATOM 566 C CG1 . VAL A 1 72 ? -1.232 -3.061 19.831 1.00 20.52 ? 72 VAL A CG1 1 ATOM 567 C CG2 . VAL A 1 72 ? -3.605 -2.997 20.662 1.00 22.09 ? 72 VAL A CG2 1 ATOM 568 N N . TYR A 1 73 ? -2.214 -5.146 16.904 1.00 19.49 ? 73 TYR A N 1 ATOM 569 C CA . TYR A 1 73 ? -1.285 -5.726 15.922 1.00 20.44 ? 73 TYR A CA 1 ATOM 570 C C . TYR A 1 73 ? -1.493 -5.085 14.549 1.00 20.90 ? 73 TYR A C 1 ATOM 571 O O . TYR A 1 73 ? -0.516 -4.662 13.883 1.00 17.65 ? 73 TYR A O 1 ATOM 572 C CB . TYR A 1 73 ? -1.472 -7.230 15.846 1.00 20.14 ? 73 TYR A CB 1 ATOM 573 C CG . TYR A 1 73 ? -1.064 -7.764 14.481 1.00 22.00 ? 73 TYR A CG 1 ATOM 574 C CD1 . TYR A 1 73 ? 0.254 -8.126 14.219 1.00 21.78 ? 73 TYR A CD1 1 ATOM 575 C CD2 . TYR A 1 73 ? -1.989 -7.812 13.433 1.00 24.26 ? 73 TYR A CD2 1 ATOM 576 C CE1 . TYR A 1 73 ? 0.627 -8.571 12.969 1.00 20.76 ? 73 TYR A CE1 1 ATOM 577 C CE2 . TYR A 1 73 ? -1.615 -8.292 12.167 1.00 27.15 ? 73 TYR A CE2 1 ATOM 578 C CZ . TYR A 1 73 ? -0.308 -8.657 11.956 1.00 22.80 ? 73 TYR A CZ 1 ATOM 579 O OH . TYR A 1 73 ? 0.033 -9.103 10.700 1.00 27.35 ? 73 TYR A OH 1 ATOM 580 N N . ARG A 1 74 ? -2.770 -4.948 14.107 1.00 20.30 ? 74 ARG A N 1 ATOM 581 C CA . ARG A 1 74 ? -2.965 -4.364 12.766 1.00 20.06 ? 74 ARG A CA 1 ATOM 582 C C . ARG A 1 74 ? -2.330 -2.981 12.662 1.00 19.46 ? 74 ARG A C 1 ATOM 583 O O . ARG A 1 74 ? -1.684 -2.662 11.672 1.00 17.10 ? 74 ARG A O 1 ATOM 584 C CB . ARG A 1 74 ? -4.446 -4.305 12.354 1.00 20.86 ? 74 ARG A CB 1 ATOM 585 C CG . ARG A 1 74 ? -4.642 -3.627 11.032 1.00 19.97 ? 74 ARG A CG 1 ATOM 586 C CD . ARG A 1 74 ? -6.094 -3.804 10.505 1.00 24.90 ? 74 ARG A CD 1 ATOM 587 N NE . ARG A 1 74 ? -7.005 -2.924 11.212 1.00 25.21 ? 74 ARG A NE 1 ATOM 588 C CZ . ARG A 1 74 ? -8.303 -2.750 10.889 1.00 27.40 ? 74 ARG A CZ 1 ATOM 589 N NH1 . ARG A 1 74 ? -8.833 -3.431 9.898 1.00 24.83 ? 74 ARG A NH1 1 ATOM 590 N NH2 . ARG A 1 74 ? -9.060 -1.865 11.549 1.00 24.47 ? 74 ARG A NH2 1 ATOM 591 N N . VAL A 1 75 ? -2.551 -2.125 13.673 1.00 19.16 ? 75 VAL A N 1 ATOM 592 C CA . VAL A 1 75 ? -1.934 -0.807 13.646 1.00 18.71 ? 75 VAL A CA 1 ATOM 593 C C . VAL A 1 75 ? -0.376 -0.922 13.760 1.00 19.41 ? 75 VAL A C 1 ATOM 594 O O . VAL A 1 75 ? 0.343 -0.187 13.084 1.00 18.17 ? 75 VAL A O 1 ATOM 595 C CB . VAL A 1 75 ? -2.470 0.068 14.812 1.00 18.56 ? 75 VAL A CB 1 ATOM 596 C CG1 . VAL A 1 75 ? -1.626 1.366 14.945 1.00 20.23 ? 75 VAL A CG1 1 ATOM 597 C CG2 . VAL A 1 75 ? -3.980 0.367 14.604 1.00 19.67 ? 75 VAL A CG2 1 ATOM 598 N N . SER A 1 76 ? 0.111 -1.813 14.630 1.00 19.73 ? 76 SER A N 1 ATOM 599 C CA . SER A 1 76 ? 1.575 -1.982 14.861 1.00 19.64 ? 76 SER A CA 1 ATOM 600 C C . SER A 1 76 ? 2.271 -2.412 13.585 1.00 20.01 ? 76 SER A C 1 ATOM 601 O O . SER A 1 76 ? 3.307 -1.811 13.149 1.00 20.20 ? 76 SER A O 1 ATOM 602 C CB . SER A 1 76 ? 1.840 -3.002 15.970 1.00 21.01 ? 76 SER A CB 1 ATOM 603 O OG . SER A 1 76 ? 1.401 -2.498 17.251 1.00 24.69 ? 76 SER A OG 1 ATOM 604 N N . PHE A 1 77 ? 1.649 -3.425 12.961 1.00 19.33 ? 77 PHE A N 1 ATOM 605 C CA . PHE A 1 77 ? 2.113 -3.955 11.682 1.00 20.12 ? 77 PHE A CA 1 ATOM 606 C C . PHE A 1 77 ? 2.293 -2.882 10.610 1.00 19.60 ? 77 PHE A C 1 ATOM 607 O O . PHE A 1 77 ? 3.348 -2.803 9.950 1.00 19.33 ? 77 PHE A O 1 ATOM 608 C CB . PHE A 1 77 ? 1.154 -5.078 11.192 1.00 18.61 ? 77 PHE A CB 1 ATOM 609 C CG . PHE A 1 77 ? 1.537 -5.596 9.848 1.00 23.91 ? 77 PHE A CG 1 ATOM 610 C CD1 . PHE A 1 77 ? 0.930 -5.107 8.683 1.00 23.81 ? 77 PHE A CD1 1 ATOM 611 C CD2 . PHE A 1 77 ? 2.591 -6.515 9.740 1.00 22.63 ? 77 PHE A CD2 1 ATOM 612 C CE1 . PHE A 1 77 ? 1.392 -5.609 7.370 1.00 21.56 ? 77 PHE A CE1 1 ATOM 613 C CE2 . PHE A 1 77 ? 3.041 -7.022 8.431 1.00 21.01 ? 77 PHE A CE2 1 ATOM 614 C CZ . PHE A 1 77 ? 2.475 -6.555 7.315 1.00 21.26 ? 77 PHE A CZ 1 ATOM 615 N N . THR A 1 78 ? 1.239 -2.059 10.388 1.00 17.36 ? 78 THR A N 1 ATOM 616 C CA . THR A 1 78 ? 1.301 -0.996 9.417 1.00 19.07 ? 78 THR A CA 1 ATOM 617 C C . THR A 1 78 ? 2.384 0.049 9.717 1.00 18.66 ? 78 THR A C 1 ATOM 618 O O . THR A 1 78 ? 3.170 0.400 8.830 1.00 17.28 ? 78 THR A O 1 ATOM 619 C CB . THR A 1 78 ? -0.063 -0.281 9.318 1.00 18.87 ? 78 THR A CB 1 ATOM 620 O OG1 . THR A 1 78 ? -1.083 -1.266 9.051 1.00 19.91 ? 78 THR A OG1 1 ATOM 621 C CG2 . THR A 1 78 ? -0.091 0.788 8.229 1.00 20.23 ? 78 THR A CG2 1 ATOM 622 N N . ARG A 1 79 ? 2.454 0.527 10.963 1.00 19.05 ? 79 ARG A N 1 ATOM 623 C CA . ARG A 1 79 ? 3.559 1.449 11.334 1.00 21.33 ? 79 ARG A CA 1 ATOM 624 C C . ARG A 1 79 ? 4.939 0.773 11.097 1.00 20.04 ? 79 ARG A C 1 ATOM 625 O O . ARG A 1 79 ? 5.847 1.404 10.514 1.00 19.41 ? 79 ARG A O 1 ATOM 626 C CB . ARG A 1 79 ? 3.411 1.884 12.796 1.00 20.50 ? 79 ARG A CB 1 ATOM 627 C CG . ARG A 1 79 ? 4.542 2.855 13.399 1.00 27.81 ? 79 ARG A CG 1 ATOM 628 C CD . ARG A 1 79 ? 4.265 3.039 14.932 1.00 34.97 ? 79 ARG A CD 1 ATOM 629 N NE . ARG A 1 79 ? 4.036 1.709 15.496 1.00 38.88 ? 79 ARG A NE 1 ATOM 630 C CZ . ARG A 1 79 ? 5.012 0.881 15.878 1.00 43.89 ? 79 ARG A CZ 1 ATOM 631 N NH1 . ARG A 1 79 ? 6.289 1.302 15.855 1.00 44.79 ? 79 ARG A NH1 1 ATOM 632 N NH2 . ARG A 1 79 ? 4.723 -0.349 16.312 1.00 42.56 ? 79 ARG A NH2 1 ATOM 633 N N . ASP A 1 80 ? 5.082 -0.477 11.530 1.00 21.00 ? 80 ASP A N 1 ATOM 634 C CA . ASP A 1 80 ? 6.399 -1.200 11.382 1.00 21.26 ? 80 ASP A CA 1 ATOM 635 C C . ASP A 1 80 ? 6.841 -1.250 9.908 1.00 20.16 ? 80 ASP A C 1 ATOM 636 O O . ASP A 1 80 ? 7.990 -1.023 9.597 1.00 19.16 ? 80 ASP A O 1 ATOM 637 C CB . ASP A 1 80 ? 6.365 -2.667 11.849 1.00 23.40 ? 80 ASP A CB 1 ATOM 638 C CG . ASP A 1 80 ? 6.257 -2.838 13.378 1.00 29.18 ? 80 ASP A CG 1 ATOM 639 O OD1 . ASP A 1 80 ? 6.541 -1.919 14.183 1.00 30.27 ? 80 ASP A OD1 1 ATOM 640 O OD2 . ASP A 1 80 ? 5.854 -3.957 13.748 1.00 39.16 ? 80 ASP A OD2 1 ATOM 641 N N . ILE A 1 81 ? 5.954 -1.629 8.987 1.00 19.32 ? 81 ILE A N 1 ATOM 642 C CA . ILE A 1 81 ? 6.345 -1.727 7.561 1.00 18.85 ? 81 ILE A CA 1 ATOM 643 C C . ILE A 1 81 ? 6.611 -0.346 7.016 1.00 18.85 ? 81 ILE A C 1 ATOM 644 O O . ILE A 1 81 ? 7.572 -0.126 6.254 1.00 19.27 ? 81 ILE A O 1 ATOM 645 C CB . ILE A 1 81 ? 5.244 -2.370 6.682 1.00 19.02 ? 81 ILE A CB 1 ATOM 646 C CG1 . ILE A 1 81 ? 4.935 -3.814 7.141 1.00 19.49 ? 81 ILE A CG1 1 ATOM 647 C CG2 . ILE A 1 81 ? 5.627 -2.261 5.222 1.00 18.46 ? 81 ILE A CG2 1 ATOM 648 C CD1 . ILE A 1 81 ? 6.146 -4.683 7.207 1.00 20.81 ? 81 ILE A CD1 1 ATOM 649 N N . GLN A 1 82 ? 5.775 0.626 7.381 1.00 19.20 ? 82 GLN A N 1 ATOM 650 C CA . GLN A 1 82 ? 6.026 1.979 6.841 1.00 18.14 ? 82 GLN A CA 1 ATOM 651 C C . GLN A 1 82 ? 7.402 2.548 7.370 1.00 18.11 ? 82 GLN A C 1 ATOM 652 O O . GLN A 1 82 ? 8.134 3.279 6.645 1.00 19.69 ? 82 GLN A O 1 ATOM 653 C CB . GLN A 1 82 ? 4.863 2.953 7.217 1.00 20.68 ? 82 GLN A CB 1 ATOM 654 C CG . GLN A 1 82 ? 3.586 2.690 6.379 1.00 22.49 ? 82 GLN A CG 1 ATOM 655 C CD . GLN A 1 82 ? 2.408 3.526 6.755 1.00 32.72 ? 82 GLN A CD 1 ATOM 656 O OE1 . GLN A 1 82 ? 2.212 3.904 7.929 1.00 35.71 ? 82 GLN A OE1 1 ATOM 657 N NE2 . GLN A 1 82 ? 1.550 3.787 5.757 1.00 34.34 ? 82 GLN A NE2 1 ATOM 658 N N . GLU A 1 83 ? 7.739 2.259 8.616 1.00 16.25 ? 83 GLU A N 1 ATOM 659 C CA . GLU A 1 83 ? 9.089 2.638 9.152 1.00 17.32 ? 83 GLU A CA 1 ATOM 660 C C . GLU A 1 83 ? 10.235 1.910 8.435 1.00 17.80 ? 83 GLU A C 1 ATOM 661 O O . GLU A 1 83 ? 11.264 2.492 8.106 1.00 19.14 ? 83 GLU A O 1 ATOM 662 C CB . GLU A 1 83 ? 9.207 2.309 10.658 1.00 19.15 ? 83 GLU A CB 1 ATOM 663 C CG . GLU A 1 83 ? 8.229 3.061 11.530 1.00 25.88 ? 83 GLU A CG 1 ATOM 664 C CD . GLU A 1 83 ? 8.335 4.538 11.292 1.00 38.05 ? 83 GLU A CD 1 ATOM 665 O OE1 . GLU A 1 83 ? 9.499 5.047 11.327 1.00 42.67 ? 83 GLU A OE1 1 ATOM 666 O OE2 . GLU A 1 83 ? 7.278 5.198 11.053 1.00 45.72 ? 83 GLU A OE2 1 ATOM 667 N N . LEU A 1 84 ? 10.057 0.606 8.238 1.00 17.66 ? 84 LEU A N 1 ATOM 668 C CA . LEU A 1 84 ? 11.042 -0.155 7.504 1.00 18.38 ? 84 LEU A CA 1 ATOM 669 C C . LEU A 1 84 ? 11.289 0.459 6.119 1.00 19.44 ? 84 LEU A C 1 ATOM 670 O O . LEU A 1 84 ? 12.408 0.650 5.709 1.00 19.88 ? 84 LEU A O 1 ATOM 671 C CB . LEU A 1 84 ? 10.633 -1.652 7.469 1.00 18.94 ? 84 LEU A CB 1 ATOM 672 C CG . LEU A 1 84 ? 11.593 -2.546 6.721 1.00 20.70 ? 84 LEU A CG 1 ATOM 673 C CD1 . LEU A 1 84 ? 12.955 -2.463 7.432 1.00 24.79 ? 84 LEU A CD1 1 ATOM 674 C CD2 . LEU A 1 84 ? 11.004 -4.034 6.680 1.00 25.87 ? 84 LEU A CD2 1 ATOM 675 N N . VAL A 1 85 ? 10.249 0.812 5.386 1.00 21.94 ? 85 VAL A N 1 ATOM 676 C CA . VAL A 1 85 ? 10.456 1.356 4.042 1.00 21.39 ? 85 VAL A CA 1 ATOM 677 C C . VAL A 1 85 ? 11.153 2.711 4.073 1.00 22.26 ? 85 VAL A C 1 ATOM 678 O O . VAL A 1 85 ? 12.030 2.975 3.262 1.00 22.59 ? 85 VAL A O 1 ATOM 679 C CB . VAL A 1 85 ? 9.138 1.489 3.285 1.00 21.79 ? 85 VAL A CB 1 ATOM 680 C CG1 . VAL A 1 85 ? 9.363 2.240 1.959 1.00 20.92 ? 85 VAL A CG1 1 ATOM 681 C CG2 . VAL A 1 85 ? 8.540 0.137 3.054 1.00 22.29 ? 85 VAL A CG2 1 ATOM 682 N N . LYS A 1 86 ? 10.848 3.518 5.069 1.00 21.35 ? 86 LYS A N 1 ATOM 683 C CA . LYS A 1 86 ? 11.555 4.813 5.226 1.00 22.37 ? 86 LYS A CA 1 ATOM 684 C C . LYS A 1 86 ? 13.041 4.570 5.484 1.00 21.73 ? 86 LYS A C 1 ATOM 685 O O . LYS A 1 86 ? 13.887 5.201 4.930 1.00 19.87 ? 86 LYS A O 1 ATOM 686 C CB . LYS A 1 86 ? 11.030 5.599 6.420 1.00 23.00 ? 86 LYS A CB 1 ATOM 687 C CG . LYS A 1 86 ? 9.601 6.101 6.309 1.00 28.19 ? 86 LYS A CG 1 ATOM 688 C CD . LYS A 1 86 ? 9.361 7.212 7.389 1.00 35.78 ? 86 LYS A CD 1 ATOM 689 C CE . LYS A 1 86 ? 7.882 7.254 7.830 1.00 38.53 ? 86 LYS A CE 1 ATOM 690 N NZ . LYS A 1 86 ? 6.983 7.006 6.647 1.00 40.52 ? 86 LYS A NZ 1 ATOM 691 N N . MET A 1 87 ? 13.330 3.607 6.353 1.00 23.08 ? 87 MET A N 1 ATOM 692 C CA . MET A 1 87 ? 14.690 3.355 6.749 1.00 24.89 ? 87 MET A CA 1 ATOM 693 C C . MET A 1 87 ? 15.486 2.856 5.542 1.00 25.84 ? 87 MET A C 1 ATOM 694 O O . MET A 1 87 ? 16.640 3.225 5.379 1.00 24.70 ? 87 MET A O 1 ATOM 695 C CB . MET A 1 87 ? 14.732 2.355 7.903 1.00 25.09 ? 87 MET A CB 1 ATOM 696 C CG . MET A 1 87 ? 16.139 1.961 8.290 1.00 28.83 ? 87 MET A CG 1 ATOM 697 S SD . MET A 1 87 ? 16.049 1.109 9.893 1.00 37.50 ? 87 MET A SD 1 ATOM 698 C CE . MET A 1 87 ? 17.696 0.482 10.138 1.00 34.86 ? 87 MET A CE 1 ATOM 699 N N . MET A 1 88 ? 14.841 2.052 4.687 1.00 27.51 ? 88 MET A N 1 ATOM 700 C CA . MET A 1 88 ? 15.504 1.423 3.540 1.00 31.52 ? 88 MET A CA 1 ATOM 701 C C . MET A 1 88 ? 15.564 2.325 2.296 1.00 33.38 ? 88 MET A C 1 ATOM 702 O O . MET A 1 88 ? 16.354 2.095 1.378 1.00 33.97 ? 88 MET A O 1 ATOM 703 C CB . MET A 1 88 ? 14.738 0.142 3.177 1.00 32.51 ? 88 MET A CB 1 ATOM 704 C CG . MET A 1 88 ? 14.785 -0.905 4.245 1.00 38.81 ? 88 MET A CG 1 ATOM 705 S SD . MET A 1 88 ? 16.450 -1.592 4.117 1.00 53.16 ? 88 MET A SD 1 ATOM 706 C CE . MET A 1 88 ? 16.406 -2.098 2.371 1.00 47.70 ? 88 MET A CE 1 ATOM 707 N N . SER A 1 89 ? 14.726 3.368 2.285 1.00 35.54 ? 89 SER A N 1 ATOM 708 C CA . SER A 1 89 ? 14.482 4.200 1.088 1.00 37.89 ? 89 SER A CA 1 ATOM 709 C C . SER A 1 89 ? 15.761 4.830 0.525 1.00 38.49 ? 89 SER A C 1 ATOM 710 O O . SER A 1 89 ? 16.612 5.269 1.295 1.00 38.73 ? 89 SER A O 1 ATOM 711 C CB . SER A 1 89 ? 13.424 5.275 1.405 1.00 37.61 ? 89 SER A CB 1 ATOM 712 O OG . SER A 1 89 ? 13.519 6.381 0.519 1.00 40.38 ? 89 SER A OG 1 ATOM 713 N N . PRO A 1 90 ? 15.913 4.864 -0.827 1.00 39.87 ? 90 PRO A N 1 ATOM 714 C CA . PRO A 1 90 ? 14.934 4.430 -1.818 1.00 40.62 ? 90 PRO A CA 1 ATOM 715 C C . PRO A 1 90 ? 15.274 3.027 -2.269 1.00 41.91 ? 90 PRO A C 1 ATOM 716 O O . PRO A 1 90 ? 14.844 2.620 -3.341 1.00 41.99 ? 90 PRO A O 1 ATOM 717 C CB . PRO A 1 90 ? 15.189 5.383 -2.983 1.00 40.52 ? 90 PRO A CB 1 ATOM 718 C CG . PRO A 1 90 ? 16.692 5.553 -2.959 1.00 40.76 ? 90 PRO A CG 1 ATOM 719 C CD . PRO A 1 90 ? 17.161 5.291 -1.494 1.00 40.01 ? 90 PRO A CD 1 ATOM 720 N N . LYS A 1 91 ? 16.042 2.299 -1.469 1.00 42.50 ? 91 LYS A N 1 ATOM 721 C CA . LYS A 1 91 ? 16.448 0.977 -1.862 1.00 44.36 ? 91 LYS A CA 1 ATOM 722 C C . LYS A 1 91 ? 15.260 0.049 -2.069 1.00 45.10 ? 91 LYS A C 1 ATOM 723 O O . LYS A 1 91 ? 15.276 -0.760 -2.996 1.00 45.39 ? 91 LYS A O 1 ATOM 724 C CB . LYS A 1 91 ? 17.442 0.397 -0.874 1.00 45.48 ? 91 LYS A CB 1 ATOM 725 C CG . LYS A 1 91 ? 18.884 0.647 -1.254 1.00 47.85 ? 91 LYS A CG 1 ATOM 726 C CD . LYS A 1 91 ? 19.827 -0.156 -0.350 1.00 53.07 ? 91 LYS A CD 1 ATOM 727 C CE . LYS A 1 91 ? 21.294 0.197 -0.631 1.00 54.45 ? 91 LYS A CE 1 ATOM 728 N NZ . LYS A 1 91 ? 22.203 -0.488 0.352 1.00 56.14 ? 91 LYS A NZ 1 ATOM 729 N N . GLU A 1 92 ? 14.211 0.165 -1.254 1.00 45.89 ? 92 GLU A N 1 ATOM 730 C CA . GLU A 1 92 ? 13.004 -0.644 -1.513 1.00 46.95 ? 92 GLU A CA 1 ATOM 731 C C . GLU A 1 92 ? 11.745 0.178 -1.837 1.00 47.11 ? 92 GLU A C 1 ATOM 732 O O . GLU A 1 92 ? 11.045 0.676 -0.961 1.00 47.94 ? 92 GLU A O 1 ATOM 733 C CB . GLU A 1 92 ? 12.732 -1.655 -0.390 1.00 47.74 ? 92 GLU A CB 1 ATOM 734 C CG . GLU A 1 92 ? 13.709 -2.848 -0.373 1.00 49.23 ? 92 GLU A CG 1 ATOM 735 C CD . GLU A 1 92 ? 13.653 -3.731 -1.636 1.00 49.13 ? 92 GLU A CD 1 ATOM 736 O OE1 . GLU A 1 92 ? 12.553 -4.149 -2.068 1.00 50.19 ? 92 GLU A OE1 1 ATOM 737 O OE2 . GLU A 1 92 ? 14.733 -4.020 -2.188 1.00 49.21 ? 92 GLU A OE2 1 ATOM 738 N N . ASP A 1 93 ? 11.452 0.307 -3.118 1.00 46.71 ? 93 ASP A N 1 ATOM 739 C CA . ASP A 1 93 ? 10.415 1.222 -3.534 1.00 46.53 ? 93 ASP A CA 1 ATOM 740 C C . ASP A 1 93 ? 9.042 0.604 -3.246 1.00 44.77 ? 93 ASP A C 1 ATOM 741 O O . ASP A 1 93 ? 8.915 -0.624 -3.135 1.00 44.01 ? 93 ASP A O 1 ATOM 742 C CB . ASP A 1 93 ? 10.562 1.551 -5.045 1.00 47.85 ? 93 ASP A CB 1 ATOM 743 C CG . ASP A 1 93 ? 10.974 3.020 -5.326 1.00 51.91 ? 93 ASP A CG 1 ATOM 744 O OD1 . ASP A 1 93 ? 12.096 3.464 -4.892 1.00 54.17 ? 93 ASP A OD1 1 ATOM 745 O OD2 . ASP A 1 93 ? 10.176 3.721 -6.028 1.00 55.21 ? 93 ASP A OD2 1 ATOM 746 N N . TYR A 1 94 ? 8.036 1.473 -3.102 1.00 42.56 ? 94 TYR A N 1 ATOM 747 C CA . TYR A 1 94 ? 6.630 1.089 -3.152 1.00 39.09 ? 94 TYR A CA 1 ATOM 748 C C . TYR A 1 94 ? 6.422 0.804 -4.653 1.00 36.93 ? 94 TYR A C 1 ATOM 749 O O . TYR A 1 94 ? 7.273 1.183 -5.469 1.00 37.56 ? 94 TYR A O 1 ATOM 750 C CB . TYR A 1 94 ? 5.733 2.244 -2.629 1.00 38.99 ? 94 TYR A CB 1 ATOM 751 C CG . TYR A 1 94 ? 5.651 2.424 -1.089 1.00 39.25 ? 94 TYR A CG 1 ATOM 752 C CD1 . TYR A 1 94 ? 6.061 3.627 -0.456 1.00 41.22 ? 94 TYR A CD1 1 ATOM 753 C CD2 . TYR A 1 94 ? 5.163 1.415 -0.273 1.00 42.64 ? 94 TYR A CD2 1 ATOM 754 C CE1 . TYR A 1 94 ? 5.985 3.802 0.962 1.00 38.41 ? 94 TYR A CE1 1 ATOM 755 C CE2 . TYR A 1 94 ? 5.076 1.566 1.143 1.00 42.13 ? 94 TYR A CE2 1 ATOM 756 C CZ . TYR A 1 94 ? 5.480 2.767 1.770 1.00 43.96 ? 94 TYR A CZ 1 ATOM 757 O OH . TYR A 1 94 ? 5.374 2.875 3.189 1.00 39.53 ? 94 TYR A OH 1 ATOM 758 N N . PRO A 1 95 ? 5.334 0.110 -5.044 1.00 33.64 ? 95 PRO A N 1 ATOM 759 C CA . PRO A 1 95 ? 4.306 -0.530 -4.205 1.00 31.02 ? 95 PRO A CA 1 ATOM 760 C C . PRO A 1 95 ? 4.789 -1.842 -3.543 1.00 29.47 ? 95 PRO A C 1 ATOM 761 O O . PRO A 1 95 ? 5.719 -2.485 -4.020 1.00 29.52 ? 95 PRO A O 1 ATOM 762 C CB . PRO A 1 95 ? 3.140 -0.771 -5.193 1.00 30.53 ? 95 PRO A CB 1 ATOM 763 C CG . PRO A 1 95 ? 3.735 -0.778 -6.546 1.00 31.45 ? 95 PRO A CG 1 ATOM 764 C CD . PRO A 1 95 ? 4.931 0.160 -6.471 1.00 33.05 ? 95 PRO A CD 1 ATOM 765 N N . ILE A 1 96 ? 4.217 -2.207 -2.408 1.00 25.12 ? 96 ILE A N 1 ATOM 766 C CA . ILE A 1 96 ? 4.681 -3.371 -1.733 1.00 22.36 ? 96 ILE A CA 1 ATOM 767 C C . ILE A 1 96 ? 3.432 -4.186 -1.401 1.00 21.43 ? 96 ILE A C 1 ATOM 768 O O . ILE A 1 96 ? 2.406 -3.632 -1.040 1.00 20.40 ? 96 ILE A O 1 ATOM 769 C CB . ILE A 1 96 ? 5.439 -3.002 -0.446 1.00 22.00 ? 96 ILE A CB 1 ATOM 770 C CG1 . ILE A 1 96 ? 6.859 -2.565 -0.768 1.00 24.46 ? 96 ILE A CG1 1 ATOM 771 C CG2 . ILE A 1 96 ? 5.494 -4.200 0.563 1.00 23.60 ? 96 ILE A CG2 1 ATOM 772 C CD1 . ILE A 1 96 ? 7.654 -2.053 0.458 1.00 25.20 ? 96 ILE A CD1 1 ATOM 773 N N A GLU A 1 97 ? 3.521 -5.505 -1.547 0.50 20.22 ? 97 GLU A N 1 ATOM 774 N N B GLU A 1 97 ? 3.519 -5.502 -1.527 0.50 20.41 ? 97 GLU A N 1 ATOM 775 C CA A GLU A 1 97 ? 2.415 -6.366 -1.180 0.50 18.98 ? 97 GLU A CA 1 ATOM 776 C CA B GLU A 1 97 ? 2.419 -6.323 -1.087 0.50 19.35 ? 97 GLU A CA 1 ATOM 777 C C A GLU A 1 97 ? 2.980 -7.344 -0.149 0.50 18.92 ? 97 GLU A C 1 ATOM 778 C C B GLU A 1 97 ? 2.997 -7.321 -0.123 0.50 19.09 ? 97 GLU A C 1 ATOM 779 O O A GLU A 1 97 ? 4.026 -7.961 -0.412 0.50 18.71 ? 97 GLU A O 1 ATOM 780 O O B GLU A 1 97 ? 4.047 -7.926 -0.400 0.50 18.77 ? 97 GLU A O 1 ATOM 781 C CB A GLU A 1 97 ? 1.871 -7.118 -2.434 0.50 19.64 ? 97 GLU A CB 1 ATOM 782 C CB B GLU A 1 97 ? 1.748 -7.024 -2.282 0.50 20.22 ? 97 GLU A CB 1 ATOM 783 C CG A GLU A 1 97 ? 1.398 -6.260 -3.671 0.50 17.51 ? 97 GLU A CG 1 ATOM 784 C CG B GLU A 1 97 ? 0.684 -8.059 -1.878 0.50 19.88 ? 97 GLU A CG 1 ATOM 785 C CD A GLU A 1 97 ? 0.102 -5.462 -3.430 0.50 21.03 ? 97 GLU A CD 1 ATOM 786 C CD B GLU A 1 97 ? -0.625 -7.439 -1.402 0.50 19.58 ? 97 GLU A CD 1 ATOM 787 O OE1 A GLU A 1 97 ? -0.663 -5.823 -2.525 0.50 19.28 ? 97 GLU A OE1 1 ATOM 788 O OE1 B GLU A 1 97 ? -0.924 -6.302 -1.809 0.50 19.60 ? 97 GLU A OE1 1 ATOM 789 O OE2 A GLU A 1 97 ? -0.116 -4.436 -4.112 0.50 17.34 ? 97 GLU A OE2 1 ATOM 790 O OE2 B GLU A 1 97 ? -1.373 -8.095 -0.649 0.50 15.46 ? 97 GLU A OE2 1 ATOM 791 N N . ILE A 1 98 ? 2.334 -7.471 1.018 1.00 17.70 ? 98 ILE A N 1 ATOM 792 C CA . ILE A 1 98 ? 2.715 -8.449 2.012 1.00 17.06 ? 98 ILE A CA 1 ATOM 793 C C . ILE A 1 98 ? 1.534 -9.341 2.300 1.00 17.01 ? 98 ILE A C 1 ATOM 794 O O . ILE A 1 98 ? 0.402 -8.881 2.404 1.00 18.89 ? 98 ILE A O 1 ATOM 795 C CB . ILE A 1 98 ? 3.223 -7.798 3.254 1.00 16.82 ? 98 ILE A CB 1 ATOM 796 C CG1 . ILE A 1 98 ? 4.451 -6.943 2.899 1.00 17.30 ? 98 ILE A CG1 1 ATOM 797 C CG2 . ILE A 1 98 ? 3.564 -8.821 4.284 1.00 18.38 ? 98 ILE A CG2 1 ATOM 798 C CD1 . ILE A 1 98 ? 4.908 -6.078 4.143 1.00 22.50 ? 98 ILE A CD1 1 ATOM 799 N N . GLN A 1 99 ? 1.762 -10.628 2.289 1.00 16.22 ? 99 GLN A N 1 ATOM 800 C CA . GLN A 1 99 ? 0.662 -11.550 2.632 1.00 15.92 ? 99 GLN A CA 1 ATOM 801 C C . GLN A 1 99 ? 1.096 -12.385 3.830 1.00 16.75 ? 99 GLN A C 1 ATOM 802 O O . GLN A 1 99 ? 2.294 -12.762 3.938 1.00 18.74 ? 99 GLN A O 1 ATOM 803 C CB . GLN A 1 99 ? 0.397 -12.500 1.455 1.00 17.10 ? 99 GLN A CB 1 ATOM 804 C CG . GLN A 1 99 ? -0.161 -11.742 0.252 1.00 16.39 ? 99 GLN A CG 1 ATOM 805 C CD . GLN A 1 99 ? 0.006 -12.569 -1.015 1.00 20.23 ? 99 GLN A CD 1 ATOM 806 O OE1 . GLN A 1 99 ? 0.975 -12.394 -1.744 1.00 21.06 ? 99 GLN A OE1 1 ATOM 807 N NE2 . GLN A 1 99 ? -0.943 -13.506 -1.264 1.00 14.59 ? 99 GLN A NE2 1 ATOM 808 N N . LEU A 1 100 ? 0.192 -12.700 4.743 1.00 15.75 ? 100 LEU A N 1 ATOM 809 C CA . LEU A 1 100 ? 0.514 -13.646 5.796 1.00 13.84 ? 100 LEU A CA 1 ATOM 810 C C . LEU A 1 100 ? -0.538 -14.734 5.848 1.00 16.13 ? 100 LEU A C 1 ATOM 811 O O . LEU A 1 100 ? -1.710 -14.458 5.622 1.00 16.22 ? 100 LEU A O 1 ATOM 812 C CB . LEU A 1 100 ? 0.576 -12.965 7.150 1.00 15.26 ? 100 LEU A CB 1 ATOM 813 C CG . LEU A 1 100 ? 1.644 -11.897 7.344 1.00 20.32 ? 100 LEU A CG 1 ATOM 814 C CD1 . LEU A 1 100 ? 1.039 -10.529 6.924 1.00 21.87 ? 100 LEU A CD1 1 ATOM 815 C CD2 . LEU A 1 100 ? 1.992 -11.949 8.824 1.00 25.66 ? 100 LEU A CD2 1 ATOM 816 N N . SER A 1 101 ? -0.099 -15.969 6.074 1.00 15.70 ? 101 SER A N 1 ATOM 817 C CA . SER A 1 101 ? -1.004 -17.139 6.185 1.00 17.33 ? 101 SER A CA 1 ATOM 818 C C . SER A 1 101 ? -0.601 -17.790 7.476 1.00 18.41 ? 101 SER A C 1 ATOM 819 O O . SER A 1 101 ? 0.543 -18.196 7.643 1.00 16.95 ? 101 SER A O 1 ATOM 820 C CB . SER A 1 101 ? -0.715 -18.071 5.019 1.00 17.85 ? 101 SER A CB 1 ATOM 821 O OG . SER A 1 101 ? -1.391 -19.267 5.192 1.00 21.16 ? 101 SER A OG 1 ATOM 822 N N . ALA A 1 102 ? -1.530 -17.908 8.432 1.00 16.45 ? 102 ALA A N 1 ATOM 823 C CA . ALA A 1 102 ? -1.195 -18.395 9.748 1.00 16.26 ? 102 ALA A CA 1 ATOM 824 C C . ALA A 1 102 ? -2.395 -19.219 10.281 1.00 18.60 ? 102 ALA A C 1 ATOM 825 O O . ALA A 1 102 ? -3.557 -18.987 9.892 1.00 17.48 ? 102 ALA A O 1 ATOM 826 C CB . ALA A 1 102 ? -0.882 -17.171 10.683 1.00 17.03 ? 102 ALA A CB 1 ATOM 827 N N . GLY A 1 103 ? -2.155 -20.176 11.155 1.00 17.16 ? 103 GLY A N 1 ATOM 828 C CA . GLY A 1 103 ? -3.267 -21.013 11.537 1.00 18.33 ? 103 GLY A CA 1 ATOM 829 C C . GLY A 1 103 ? -2.763 -22.353 12.007 1.00 18.67 ? 103 GLY A C 1 ATOM 830 O O . GLY A 1 103 ? -1.609 -22.482 12.492 1.00 17.11 ? 103 GLY A O 1 ATOM 831 N N . CYS A 1 104 ? -3.622 -23.384 11.928 1.00 20.88 ? 104 CYS A N 1 ATOM 832 C CA . CYS A 1 104 ? -3.198 -24.651 12.435 1.00 23.70 ? 104 CYS A CA 1 ATOM 833 C C . CYS A 1 104 ? -4.004 -25.724 11.726 1.00 26.18 ? 104 CYS A C 1 ATOM 834 O O . CYS A 1 104 ? -5.144 -25.475 11.267 1.00 21.74 ? 104 CYS A O 1 ATOM 835 C CB . CYS A 1 104 ? -3.341 -24.745 13.984 1.00 25.40 ? 104 CYS A CB 1 ATOM 836 S SG . CYS A 1 104 ? -4.990 -24.192 14.692 1.00 28.96 ? 104 CYS A SG 1 ATOM 837 N N . GLU A 1 105 ? -3.356 -26.862 11.547 1.00 27.31 ? 105 GLU A N 1 ATOM 838 C CA . GLU A 1 105 ? -3.996 -28.036 11.010 1.00 32.55 ? 105 GLU A CA 1 ATOM 839 C C . GLU A 1 105 ? -4.372 -28.989 12.159 1.00 34.32 ? 105 GLU A C 1 ATOM 840 O O . GLU A 1 105 ? -3.513 -29.374 12.958 1.00 33.05 ? 105 GLU A O 1 ATOM 841 C CB . GLU A 1 105 ? -3.087 -28.731 9.979 1.00 32.81 ? 105 GLU A CB 1 ATOM 842 C CG . GLU A 1 105 ? -3.768 -29.998 9.392 1.00 38.62 ? 105 GLU A CG 1 ATOM 843 C CD . GLU A 1 105 ? -3.144 -30.532 8.099 1.00 44.70 ? 105 GLU A CD 1 ATOM 844 O OE1 . GLU A 1 105 ? -1.984 -30.196 7.816 1.00 48.32 ? 105 GLU A OE1 1 ATOM 845 O OE2 . GLU A 1 105 ? -3.810 -31.319 7.370 1.00 49.93 ? 105 GLU A OE2 1 ATOM 846 N N . MET A 1 106 ? -5.662 -29.317 12.260 1.00 37.55 ? 106 MET A N 1 ATOM 847 C CA . MET A 1 106 ? -6.184 -30.280 13.246 1.00 41.81 ? 106 MET A CA 1 ATOM 848 C C . MET A 1 106 ? -6.281 -31.689 12.649 1.00 43.42 ? 106 MET A C 1 ATOM 849 O O . MET A 1 106 ? -7.094 -31.909 11.741 1.00 43.04 ? 106 MET A O 1 ATOM 850 C CB . MET A 1 106 ? -7.607 -29.889 13.710 1.00 41.53 ? 106 MET A CB 1 ATOM 851 C CG . MET A 1 106 ? -7.813 -28.432 14.068 1.00 44.16 ? 106 MET A CG 1 ATOM 852 S SD . MET A 1 106 ? -6.655 -27.857 15.332 1.00 46.32 ? 106 MET A SD 1 ATOM 853 C CE . MET A 1 106 ? -7.420 -28.479 16.850 1.00 44.75 ? 106 MET A CE 1 ATOM 854 N N . TYR A 1 107 ? -5.468 -32.622 13.151 1.00 46.48 ? 107 TYR A N 1 ATOM 855 C CA . TYR A 1 107 ? -5.469 -34.021 12.662 1.00 49.18 ? 107 TYR A CA 1 ATOM 856 C C . TYR A 1 107 ? -6.130 -35.005 13.603 1.00 50.45 ? 107 TYR A C 1 ATOM 857 O O . TYR A 1 107 ? -6.413 -34.688 14.785 1.00 51.06 ? 107 TYR A O 1 ATOM 858 C CB . TYR A 1 107 ? -4.064 -34.621 12.474 1.00 49.26 ? 107 TYR A CB 1 ATOM 859 C CG . TYR A 1 107 ? -3.028 -33.760 11.838 1.00 51.12 ? 107 TYR A CG 1 ATOM 860 C CD1 . TYR A 1 107 ? -2.871 -33.711 10.449 1.00 52.27 ? 107 TYR A CD1 1 ATOM 861 C CD2 . TYR A 1 107 ? -2.166 -33.024 12.634 1.00 51.25 ? 107 TYR A CD2 1 ATOM 862 C CE1 . TYR A 1 107 ? -1.896 -32.909 9.896 1.00 53.72 ? 107 TYR A CE1 1 ATOM 863 C CE2 . TYR A 1 107 ? -1.218 -32.236 12.095 1.00 52.00 ? 107 TYR A CE2 1 ATOM 864 C CZ . TYR A 1 107 ? -1.075 -32.173 10.746 1.00 52.32 ? 107 TYR A CZ 1 ATOM 865 O OH . TYR A 1 107 ? -0.078 -31.363 10.289 1.00 53.98 ? 107 TYR A OH 1 ATOM 866 N N . PRO A 1 108 ? -6.285 -36.244 13.088 1.00 51.50 ? 108 PRO A N 1 ATOM 867 C CA . PRO A 1 108 ? -6.661 -37.446 13.821 1.00 51.44 ? 108 PRO A CA 1 ATOM 868 C C . PRO A 1 108 ? -6.246 -37.361 15.294 1.00 51.45 ? 108 PRO A C 1 ATOM 869 O O . PRO A 1 108 ? -5.082 -37.030 15.624 1.00 51.36 ? 108 PRO A O 1 ATOM 870 C CB . PRO A 1 108 ? -5.867 -38.564 13.099 1.00 51.46 ? 108 PRO A CB 1 ATOM 871 C CG . PRO A 1 108 ? -5.026 -37.867 12.011 1.00 51.94 ? 108 PRO A CG 1 ATOM 872 C CD . PRO A 1 108 ? -5.772 -36.584 11.746 1.00 51.65 ? 108 PRO A CD 1 ATOM 873 N N . GLY A 1 109 ? -7.206 -37.680 16.159 1.00 51.31 ? 109 GLY A N 1 ATOM 874 C CA . GLY A 1 109 ? -7.011 -37.635 17.603 1.00 50.88 ? 109 GLY A CA 1 ATOM 875 C C . GLY A 1 109 ? -7.204 -36.204 18.020 1.00 50.55 ? 109 GLY A C 1 ATOM 876 O O . GLY A 1 109 ? -8.108 -35.515 17.519 1.00 51.12 ? 109 GLY A O 1 ATOM 877 N N . ASN A 1 110 ? -6.338 -35.740 18.915 1.00 49.57 ? 110 ASN A N 1 ATOM 878 C CA . ASN A 1 110 ? -6.332 -34.329 19.286 1.00 48.33 ? 110 ASN A CA 1 ATOM 879 C C . ASN A 1 110 ? -4.977 -33.689 18.978 1.00 46.27 ? 110 ASN A C 1 ATOM 880 O O . ASN A 1 110 ? -4.487 -32.847 19.734 1.00 46.88 ? 110 ASN A O 1 ATOM 881 C CB . ASN A 1 110 ? -6.721 -34.141 20.762 1.00 48.95 ? 110 ASN A CB 1 ATOM 882 C CG . ASN A 1 110 ? -8.241 -34.110 20.970 1.00 51.45 ? 110 ASN A CG 1 ATOM 883 O OD1 . ASN A 1 110 ? -9.029 -34.036 20.007 1.00 52.67 ? 110 ASN A OD1 1 ATOM 884 N ND2 . ASN A 1 110 ? -8.657 -34.170 22.238 1.00 54.08 ? 110 ASN A ND2 1 ATOM 885 N N . ALA A 1 111 ? -4.371 -34.105 17.864 1.00 43.03 ? 111 ALA A N 1 ATOM 886 C CA . ALA A 1 111 ? -3.052 -33.627 17.498 1.00 40.32 ? 111 ALA A CA 1 ATOM 887 C C . ALA A 1 111 ? -3.228 -32.360 16.636 1.00 37.68 ? 111 ALA A C 1 ATOM 888 O O . ALA A 1 111 ? -4.289 -32.143 16.038 1.00 36.30 ? 111 ALA A O 1 ATOM 889 C CB . ALA A 1 111 ? -2.285 -34.717 16.741 1.00 40.38 ? 111 ALA A CB 1 ATOM 890 N N . SER A 1 112 ? -2.223 -31.504 16.606 1.00 35.34 ? 112 SER A N 1 ATOM 891 C CA . SER A 1 112 ? -2.286 -30.362 15.695 1.00 33.48 ? 112 SER A CA 1 ATOM 892 C C . SER A 1 112 ? -0.923 -29.748 15.425 1.00 31.82 ? 112 SER A C 1 ATOM 893 O O . SER A 1 112 ? -0.007 -29.850 16.271 1.00 31.11 ? 112 SER A O 1 ATOM 894 C CB . SER A 1 112 ? -3.275 -29.283 16.177 1.00 34.00 ? 112 SER A CB 1 ATOM 895 O OG . SER A 1 112 ? -2.720 -28.446 17.186 1.00 35.32 ? 112 SER A OG 1 ATOM 896 N N . GLU A 1 113 ? -0.788 -29.124 14.242 1.00 29.77 ? 113 GLU A N 1 ATOM 897 C CA . GLU A 1 113 ? 0.430 -28.395 13.891 1.00 29.07 ? 113 GLU A CA 1 ATOM 898 C C . GLU A 1 113 ? 0.082 -26.981 13.409 1.00 26.77 ? 113 GLU A C 1 ATOM 899 O O . GLU A 1 113 ? -0.899 -26.805 12.683 1.00 25.25 ? 113 GLU A O 1 ATOM 900 C CB . GLU A 1 113 ? 1.230 -29.158 12.825 1.00 30.62 ? 113 GLU A CB 1 ATOM 901 C CG . GLU A 1 113 ? 2.006 -28.228 11.896 1.00 38.21 ? 113 GLU A CG 1 ATOM 902 C CD . GLU A 1 113 ? 3.368 -28.768 11.499 1.00 45.32 ? 113 GLU A CD 1 ATOM 903 O OE1 . GLU A 1 113 ? 3.587 -29.984 11.724 1.00 49.03 ? 113 GLU A OE1 1 ATOM 904 O OE2 . GLU A 1 113 ? 4.216 -27.973 10.983 1.00 48.22 ? 113 GLU A OE2 1 ATOM 905 N N . SER A 1 114 ? 0.870 -25.980 13.807 1.00 20.72 ? 114 SER A N 1 ATOM 906 C CA . SER A 1 114 ? 0.527 -24.597 13.466 1.00 19.66 ? 114 SER A CA 1 ATOM 907 C C . SER A 1 114 ? 1.588 -24.056 12.516 1.00 19.37 ? 114 SER A C 1 ATOM 908 O O . SER A 1 114 ? 2.691 -24.647 12.446 1.00 19.30 ? 114 SER A O 1 ATOM 909 C CB . SER A 1 114 ? 0.533 -23.767 14.750 1.00 18.80 ? 114 SER A CB 1 ATOM 910 O OG . SER A 1 114 ? -0.512 -24.267 15.609 0.50 16.44 ? 114 SER A OG 1 ATOM 911 N N . PHE A 1 115 ? 1.321 -22.911 11.878 1.00 16.65 ? 115 PHE A N 1 ATOM 912 C CA . PHE A 1 115 ? 2.251 -22.349 10.885 1.00 17.32 ? 115 PHE A CA 1 ATOM 913 C C . PHE A 1 115 ? 1.998 -20.887 10.832 1.00 15.36 ? 115 PHE A C 1 ATOM 914 O O . PHE A 1 115 ? 0.918 -20.432 11.271 1.00 16.38 ? 115 PHE A O 1 ATOM 915 C CB . PHE A 1 115 ? 1.972 -22.945 9.476 1.00 18.55 ? 115 PHE A CB 1 ATOM 916 C CG . PHE A 1 115 ? 0.512 -22.849 9.063 1.00 18.76 ? 115 PHE A CG 1 ATOM 917 C CD1 . PHE A 1 115 ? -0.376 -23.877 9.345 1.00 20.99 ? 115 PHE A CD1 1 ATOM 918 C CD2 . PHE A 1 115 ? 0.042 -21.726 8.409 1.00 21.06 ? 115 PHE A CD2 1 ATOM 919 C CE1 . PHE A 1 115 ? -1.736 -23.747 9.015 1.00 21.13 ? 115 PHE A CE1 1 ATOM 920 C CE2 . PHE A 1 115 ? -1.363 -21.621 8.034 1.00 20.66 ? 115 PHE A CE2 1 ATOM 921 C CZ . PHE A 1 115 ? -2.191 -22.608 8.326 1.00 19.90 ? 115 PHE A CZ 1 ATOM 922 N N . LEU A 1 116 ? 3.013 -20.123 10.371 1.00 13.83 ? 116 LEU A N 1 ATOM 923 C CA . LEU A 1 116 ? 2.851 -18.701 10.133 1.00 15.38 ? 116 LEU A CA 1 ATOM 924 C C . LEU A 1 116 ? 3.889 -18.388 9.048 1.00 16.48 ? 116 LEU A C 1 ATOM 925 O O . LEU A 1 116 ? 5.114 -18.347 9.317 1.00 15.61 ? 116 LEU A O 1 ATOM 926 C CB . LEU A 1 116 ? 3.181 -17.911 11.405 1.00 15.34 ? 116 LEU A CB 1 ATOM 927 C CG . LEU A 1 116 ? 2.783 -16.410 11.410 1.00 17.39 ? 116 LEU A CG 1 ATOM 928 C CD1 . LEU A 1 116 ? 3.054 -15.879 12.833 1.00 19.81 ? 116 LEU A CD1 1 ATOM 929 C CD2 . LEU A 1 116 ? 3.611 -15.562 10.450 1.00 19.58 ? 116 LEU A CD2 1 ATOM 930 N N . HIS A 1 117 ? 3.398 -18.192 7.816 1.00 16.47 ? 117 HIS A N 1 ATOM 931 C CA . HIS A 1 117 ? 4.230 -17.840 6.651 1.00 17.24 ? 117 HIS A CA 1 ATOM 932 C C . HIS A 1 117 ? 3.900 -16.494 6.109 1.00 18.55 ? 117 HIS A C 1 ATOM 933 O O . HIS A 1 117 ? 2.749 -15.987 6.250 1.00 17.28 ? 117 HIS A O 1 ATOM 934 C CB . HIS A 1 117 ? 3.934 -18.877 5.569 1.00 16.75 ? 117 HIS A CB 1 ATOM 935 C CG . HIS A 1 117 ? 4.394 -20.227 5.921 1.00 21.65 ? 117 HIS A CG 1 ATOM 936 N ND1 . HIS A 1 117 ? 4.357 -21.268 5.023 1.00 31.28 ? 117 HIS A ND1 1 ATOM 937 C CD2 . HIS A 1 117 ? 4.967 -20.722 7.043 1.00 19.53 ? 117 HIS A CD2 1 ATOM 938 C CE1 . HIS A 1 117 ? 4.875 -22.357 5.586 1.00 32.19 ? 117 HIS A CE1 1 ATOM 939 N NE2 . HIS A 1 117 ? 5.204 -22.056 6.826 1.00 25.40 ? 117 HIS A NE2 1 ATOM 940 N N . VAL A 1 118 ? 4.939 -15.818 5.565 1.00 14.64 ? 118 VAL A N 1 ATOM 941 C CA . VAL A 1 118 ? 4.837 -14.440 5.158 1.00 14.82 ? 118 VAL A CA 1 ATOM 942 C C . VAL A 1 118 ? 5.445 -14.368 3.719 1.00 15.25 ? 118 VAL A C 1 ATOM 943 O O . VAL A 1 118 ? 6.551 -14.958 3.475 1.00 15.31 ? 118 VAL A O 1 ATOM 944 C CB . VAL A 1 118 ? 5.696 -13.499 5.997 1.00 14.66 ? 118 VAL A CB 1 ATOM 945 C CG1 . VAL A 1 118 ? 5.560 -12.032 5.507 1.00 14.95 ? 118 VAL A CG1 1 ATOM 946 C CG2 . VAL A 1 118 ? 5.322 -13.463 7.545 1.00 16.34 ? 118 VAL A CG2 1 ATOM 947 N N . ALA A 1 119 ? 4.731 -13.706 2.796 1.00 14.21 ? 119 ALA A N 1 ATOM 948 C CA . ALA A 1 119 ? 5.217 -13.449 1.436 1.00 13.25 ? 119 ALA A CA 1 ATOM 949 C C . ALA A 1 119 ? 5.369 -12.031 1.216 1.00 15.89 ? 119 ALA A C 1 ATOM 950 O O . ALA A 1 119 ? 4.593 -11.297 1.762 1.00 15.69 ? 119 ALA A O 1 ATOM 951 C CB . ALA A 1 119 ? 4.221 -14.007 0.424 1.00 14.30 ? 119 ALA A CB 1 ATOM 952 N N . PHE A 1 120 ? 6.317 -11.628 0.365 1.00 15.15 ? 120 PHE A N 1 ATOM 953 C CA . PHE A 1 120 ? 6.598 -10.241 0.020 1.00 15.72 ? 120 PHE A CA 1 ATOM 954 C C . PHE A 1 120 ? 6.659 -10.228 -1.504 1.00 17.02 ? 120 PHE A C 1 ATOM 955 O O . PHE A 1 120 ? 7.403 -11.000 -2.140 1.00 16.73 ? 120 PHE A O 1 ATOM 956 C CB . PHE A 1 120 ? 7.993 -9.844 0.583 1.00 18.39 ? 120 PHE A CB 1 ATOM 957 C CG . PHE A 1 120 ? 8.521 -8.530 0.063 1.00 17.52 ? 120 PHE A CG 1 ATOM 958 C CD1 . PHE A 1 120 ? 7.887 -7.334 0.408 1.00 23.32 ? 120 PHE A CD1 1 ATOM 959 C CD2 . PHE A 1 120 ? 9.663 -8.494 -0.732 1.00 22.14 ? 120 PHE A CD2 1 ATOM 960 C CE1 . PHE A 1 120 ? 8.428 -6.052 -0.112 1.00 20.38 ? 120 PHE A CE1 1 ATOM 961 C CE2 . PHE A 1 120 ? 10.211 -7.319 -1.169 1.00 22.09 ? 120 PHE A CE2 1 ATOM 962 C CZ . PHE A 1 120 ? 9.566 -6.087 -0.901 1.00 23.77 ? 120 PHE A CZ 1 ATOM 963 N N . GLN A 1 121 ? 5.874 -9.383 -2.105 1.00 18.15 ? 121 GLN A N 1 ATOM 964 C CA . GLN A 1 121 ? 5.702 -9.259 -3.578 1.00 20.16 ? 121 GLN A CA 1 ATOM 965 C C . GLN A 1 121 ? 5.366 -10.611 -4.174 1.00 20.59 ? 121 GLN A C 1 ATOM 966 O O . GLN A 1 121 ? 5.905 -10.967 -5.214 1.00 20.67 ? 121 GLN A O 1 ATOM 967 C CB . GLN A 1 121 ? 6.965 -8.703 -4.263 1.00 21.02 ? 121 GLN A CB 1 ATOM 968 C CG . GLN A 1 121 ? 7.566 -7.484 -3.563 1.00 22.70 ? 121 GLN A CG 1 ATOM 969 C CD . GLN A 1 121 ? 6.637 -6.273 -3.656 1.00 23.73 ? 121 GLN A CD 1 ATOM 970 O OE1 . GLN A 1 121 ? 5.446 -6.366 -3.376 1.00 22.60 ? 121 GLN A OE1 1 ATOM 971 N NE2 . GLN A 1 121 ? 7.183 -5.124 -4.100 1.00 22.60 ? 121 GLN A NE2 1 ATOM 972 N N . GLY A 1 122 ? 4.546 -11.395 -3.479 1.00 20.83 ? 122 GLY A N 1 ATOM 973 C CA . GLY A 1 122 ? 4.090 -12.655 -4.029 1.00 18.93 ? 122 GLY A CA 1 ATOM 974 C C . GLY A 1 122 ? 5.010 -13.871 -3.833 1.00 18.51 ? 122 GLY A C 1 ATOM 975 O O . GLY A 1 122 ? 4.716 -14.954 -4.350 1.00 18.13 ? 122 GLY A O 1 ATOM 976 N N . LYS A 1 123 ? 6.040 -13.742 -2.987 1.00 15.53 ? 123 LYS A N 1 ATOM 977 C CA . LYS A 1 123 ? 7.016 -14.813 -2.837 1.00 17.48 ? 123 LYS A CA 1 ATOM 978 C C . LYS A 1 123 ? 7.276 -15.056 -1.361 1.00 14.00 ? 123 LYS A C 1 ATOM 979 O O . LYS A 1 123 ? 7.448 -14.105 -0.589 1.00 14.80 ? 123 LYS A O 1 ATOM 980 C CB . LYS A 1 123 ? 8.295 -14.332 -3.493 1.00 18.18 ? 123 LYS A CB 1 ATOM 981 C CG . LYS A 1 123 ? 9.348 -15.338 -3.555 1.00 26.00 ? 123 LYS A CG 1 ATOM 982 C CD . LYS A 1 123 ? 9.847 -15.374 -4.997 1.00 31.69 ? 123 LYS A CD 1 ATOM 983 C CE . LYS A 1 123 ? 11.305 -15.794 -5.065 1.00 38.02 ? 123 LYS A CE 1 ATOM 984 N NZ . LYS A 1 123 ? 11.363 -17.238 -4.847 1.00 37.69 ? 123 LYS A NZ 1 ATOM 985 N N . TYR A 1 124 ? 7.156 -16.314 -0.941 1.00 15.21 ? 124 TYR A N 1 ATOM 986 C CA . TYR A 1 124 ? 7.427 -16.731 0.474 1.00 13.34 ? 124 TYR A CA 1 ATOM 987 C C . TYR A 1 124 ? 8.817 -16.284 0.908 1.00 13.95 ? 124 TYR A C 1 ATOM 988 O O . TYR A 1 124 ? 9.841 -16.676 0.270 1.00 12.03 ? 124 TYR A O 1 ATOM 989 C CB . TYR A 1 124 ? 7.345 -18.253 0.517 1.00 13.75 ? 124 TYR A CB 1 ATOM 990 C CG . TYR A 1 124 ? 7.578 -18.962 1.827 1.00 13.71 ? 124 TYR A CG 1 ATOM 991 C CD1 . TYR A 1 124 ? 7.170 -18.395 3.071 1.00 16.85 ? 124 TYR A CD1 1 ATOM 992 C CD2 . TYR A 1 124 ? 8.173 -20.263 1.829 1.00 15.57 ? 124 TYR A CD2 1 ATOM 993 C CE1 . TYR A 1 124 ? 7.364 -19.061 4.239 1.00 17.20 ? 124 TYR A CE1 1 ATOM 994 C CE2 . TYR A 1 124 ? 8.362 -20.938 3.008 1.00 18.39 ? 124 TYR A CE2 1 ATOM 995 C CZ . TYR A 1 124 ? 7.929 -20.348 4.209 1.00 19.34 ? 124 TYR A CZ 1 ATOM 996 O OH . TYR A 1 124 ? 8.135 -21.009 5.372 1.00 17.36 ? 124 TYR A OH 1 ATOM 997 N N . VAL A 1 125 ? 8.900 -15.500 1.988 1.00 13.27 ? 125 VAL A N 1 ATOM 998 C CA . VAL A 1 125 ? 10.228 -15.039 2.454 1.00 15.33 ? 125 VAL A CA 1 ATOM 999 C C . VAL A 1 125 ? 10.552 -15.352 3.936 1.00 16.36 ? 125 VAL A C 1 ATOM 1000 O O . VAL A 1 125 ? 11.728 -15.420 4.318 1.00 15.68 ? 125 VAL A O 1 ATOM 1001 C CB . VAL A 1 125 ? 10.438 -13.574 2.228 1.00 13.15 ? 125 VAL A CB 1 ATOM 1002 C CG1 . VAL A 1 125 ? 10.641 -13.211 0.711 1.00 17.72 ? 125 VAL A CG1 1 ATOM 1003 C CG2 . VAL A 1 125 ? 9.267 -12.720 2.850 1.00 15.13 ? 125 VAL A CG2 1 ATOM 1004 N N . VAL A 1 126 ? 9.525 -15.432 4.806 1.00 15.71 ? 126 VAL A N 1 ATOM 1005 C CA . VAL A 1 126 ? 9.778 -15.409 6.249 1.00 13.86 ? 126 VAL A CA 1 ATOM 1006 C C . VAL A 1 126 ? 8.780 -16.413 6.850 1.00 16.78 ? 126 VAL A C 1 ATOM 1007 O O . VAL A 1 126 ? 7.602 -16.510 6.387 1.00 17.43 ? 126 VAL A O 1 ATOM 1008 C CB . VAL A 1 126 ? 9.509 -13.983 6.893 1.00 15.05 ? 126 VAL A CB 1 ATOM 1009 C CG1 . VAL A 1 126 ? 9.340 -14.096 8.444 1.00 16.61 ? 126 VAL A CG1 1 ATOM 1010 C CG2 . VAL A 1 126 ? 10.674 -13.075 6.559 1.00 14.41 ? 126 VAL A CG2 1 ATOM 1011 N N . ARG A 1 127 ? 9.188 -17.198 7.843 1.00 14.03 ? 127 ARG A N 1 ATOM 1012 C CA . ARG A 1 127 ? 8.190 -17.886 8.694 1.00 14.99 ? 127 ARG A CA 1 ATOM 1013 C C . ARG A 1 127 ? 8.479 -17.716 10.179 1.00 17.17 ? 127 ARG A C 1 ATOM 1014 O O . ARG A 1 127 ? 9.563 -17.260 10.533 1.00 17.96 ? 127 ARG A O 1 ATOM 1015 C CB . ARG A 1 127 ? 8.202 -19.365 8.406 1.00 14.20 ? 127 ARG A CB 1 ATOM 1016 C CG . ARG A 1 127 ? 9.612 -20.008 8.690 1.00 19.59 ? 127 ARG A CG 1 ATOM 1017 C CD . ARG A 1 127 ? 9.527 -21.479 8.428 1.00 19.36 ? 127 ARG A CD 1 ATOM 1018 N NE . ARG A 1 127 ? 10.726 -22.174 8.850 1.00 24.02 ? 127 ARG A NE 1 ATOM 1019 C CZ . ARG A 1 127 ? 10.749 -23.501 9.000 1.00 28.48 ? 127 ARG A CZ 1 ATOM 1020 N NH1 . ARG A 1 127 ? 9.650 -24.178 8.773 1.00 31.61 ? 127 ARG A NH1 1 ATOM 1021 N NH2 . ARG A 1 127 ? 11.848 -24.126 9.378 1.00 29.80 ? 127 ARG A NH2 1 ATOM 1022 N N . PHE A 1 128 ? 7.507 -18.097 11.043 1.00 16.63 ? 128 PHE A N 1 ATOM 1023 C CA . PHE A 1 128 ? 7.790 -18.140 12.458 1.00 15.27 ? 128 PHE A CA 1 ATOM 1024 C C . PHE A 1 128 ? 7.943 -19.608 12.753 1.00 16.62 ? 128 PHE A C 1 ATOM 1025 O O . PHE A 1 128 ? 7.097 -20.436 12.355 1.00 20.43 ? 128 PHE A O 1 ATOM 1026 C CB . PHE A 1 128 ? 6.690 -17.427 13.323 1.00 16.15 ? 128 PHE A CB 1 ATOM 1027 C CG . PHE A 1 128 ? 7.088 -17.346 14.787 1.00 16.34 ? 128 PHE A CG 1 ATOM 1028 C CD1 . PHE A 1 128 ? 7.736 -16.227 15.293 1.00 14.28 ? 128 PHE A CD1 1 ATOM 1029 C CD2 . PHE A 1 128 ? 6.864 -18.439 15.601 1.00 15.08 ? 128 PHE A CD2 1 ATOM 1030 C CE1 . PHE A 1 128 ? 8.173 -16.212 16.648 1.00 15.49 ? 128 PHE A CE1 1 ATOM 1031 C CE2 . PHE A 1 128 ? 7.274 -18.439 16.945 1.00 22.12 ? 128 PHE A CE2 1 ATOM 1032 C CZ . PHE A 1 128 ? 7.869 -17.306 17.483 1.00 17.46 ? 128 PHE A CZ 1 ATOM 1033 N N . TRP A 1 129 ? 8.990 -19.995 13.464 1.00 17.32 ? 129 TRP A N 1 ATOM 1034 C CA . TRP A 1 129 ? 9.158 -21.432 13.678 1.00 17.94 ? 129 TRP A CA 1 ATOM 1035 C C . TRP A 1 129 ? 9.797 -21.667 15.023 1.00 18.46 ? 129 TRP A C 1 ATOM 1036 O O . TRP A 1 129 ? 10.842 -21.141 15.266 1.00 19.61 ? 129 TRP A O 1 ATOM 1037 C CB . TRP A 1 129 ? 10.021 -22.062 12.528 1.00 18.25 ? 129 TRP A CB 1 ATOM 1038 C CG . TRP A 1 129 ? 10.112 -23.583 12.562 1.00 22.05 ? 129 TRP A CG 1 ATOM 1039 C CD1 . TRP A 1 129 ? 11.224 -24.305 12.795 1.00 27.39 ? 129 TRP A CD1 1 ATOM 1040 C CD2 . TRP A 1 129 ? 9.039 -24.542 12.355 1.00 27.62 ? 129 TRP A CD2 1 ATOM 1041 N NE1 . TRP A 1 129 ? 10.917 -25.645 12.745 1.00 27.33 ? 129 TRP A NE1 1 ATOM 1042 C CE2 . TRP A 1 129 ? 9.594 -25.813 12.476 1.00 27.26 ? 129 TRP A CE2 1 ATOM 1043 C CE3 . TRP A 1 129 ? 7.674 -24.428 12.041 1.00 29.29 ? 129 TRP A CE3 1 ATOM 1044 C CZ2 . TRP A 1 129 ? 8.832 -26.998 12.342 1.00 29.12 ? 129 TRP A CZ2 1 ATOM 1045 C CZ3 . TRP A 1 129 ? 6.891 -25.613 11.904 1.00 33.48 ? 129 TRP A CZ3 1 ATOM 1046 C CH2 . TRP A 1 129 ? 7.498 -26.878 12.047 1.00 30.97 ? 129 TRP A CH2 1 ATOM 1047 N N . GLY A 1 130 ? 9.148 -22.435 15.892 1.00 19.76 ? 130 GLY A N 1 ATOM 1048 C CA . GLY A 1 130 ? 9.745 -22.692 17.216 1.00 21.33 ? 130 GLY A CA 1 ATOM 1049 C C . GLY A 1 130 ? 9.599 -21.479 18.121 1.00 20.73 ? 130 GLY A C 1 ATOM 1050 O O . GLY A 1 130 ? 8.502 -21.215 18.634 1.00 19.72 ? 130 GLY A O 1 ATOM 1051 N N . THR A 1 131 ? 10.687 -20.725 18.298 1.00 20.65 ? 131 THR A N 1 ATOM 1052 C CA . THR A 1 131 ? 10.559 -19.499 19.074 1.00 21.20 ? 131 THR A CA 1 ATOM 1053 C C . THR A 1 131 ? 11.030 -18.268 18.323 1.00 22.16 ? 131 THR A C 1 ATOM 1054 O O . THR A 1 131 ? 11.187 -17.194 18.914 1.00 22.10 ? 131 THR A O 1 ATOM 1055 C CB . THR A 1 131 ? 11.367 -19.570 20.399 1.00 21.05 ? 131 THR A CB 1 ATOM 1056 O OG1 . THR A 1 131 ? 12.735 -19.723 20.089 1.00 21.62 ? 131 THR A OG1 1 ATOM 1057 C CG2 . THR A 1 131 ? 10.904 -20.746 21.265 1.00 20.85 ? 131 THR A CG2 1 ATOM 1058 N N . SER A 1 132 ? 11.258 -18.379 17.019 1.00 21.85 ? 132 SER A N 1 ATOM 1059 C CA . SER A 1 132 ? 11.744 -17.171 16.360 1.00 19.92 ? 132 SER A CA 1 ATOM 1060 C C . SER A 1 132 ? 11.260 -17.000 14.914 1.00 19.32 ? 132 SER A C 1 ATOM 1061 O O . SER A 1 132 ? 10.835 -17.967 14.281 1.00 19.46 ? 132 SER A O 1 ATOM 1062 C CB . SER A 1 132 ? 13.285 -17.075 16.469 1.00 22.48 ? 132 SER A CB 1 ATOM 1063 O OG . SER A 1 132 ? 13.805 -18.077 15.623 1.00 26.24 ? 132 SER A OG 1 ATOM 1064 N N . TRP A 1 133 ? 11.376 -15.774 14.424 1.00 16.09 ? 133 TRP A N 1 ATOM 1065 C CA . TRP A 1 133 ? 11.171 -15.455 13.030 1.00 16.85 ? 133 TRP A CA 1 ATOM 1066 C C . TRP A 1 133 ? 12.426 -15.843 12.236 1.00 16.05 ? 133 TRP A C 1 ATOM 1067 O O . TRP A 1 133 ? 13.536 -15.689 12.755 1.00 15.71 ? 133 TRP A O 1 ATOM 1068 C CB . TRP A 1 133 ? 10.962 -13.980 12.907 1.00 17.85 ? 133 TRP A CB 1 ATOM 1069 C CG . TRP A 1 133 ? 9.749 -13.485 13.672 1.00 17.49 ? 133 TRP A CG 1 ATOM 1070 C CD1 . TRP A 1 133 ? 9.731 -12.980 14.953 1.00 18.49 ? 133 TRP A CD1 1 ATOM 1071 C CD2 . TRP A 1 133 ? 8.404 -13.427 13.187 1.00 16.30 ? 133 TRP A CD2 1 ATOM 1072 N NE1 . TRP A 1 133 ? 8.419 -12.583 15.270 1.00 16.62 ? 133 TRP A NE1 1 ATOM 1073 C CE2 . TRP A 1 133 ? 7.611 -12.816 14.199 1.00 17.70 ? 133 TRP A CE2 1 ATOM 1074 C CE3 . TRP A 1 133 ? 7.786 -13.797 11.977 1.00 16.02 ? 133 TRP A CE3 1 ATOM 1075 C CZ2 . TRP A 1 133 ? 6.206 -12.587 14.047 1.00 20.50 ? 133 TRP A CZ2 1 ATOM 1076 C CZ3 . TRP A 1 133 ? 6.406 -13.558 11.821 1.00 20.90 ? 133 TRP A CZ3 1 ATOM 1077 C CH2 . TRP A 1 133 ? 5.633 -12.959 12.843 1.00 18.78 ? 133 TRP A CH2 1 ATOM 1078 N N A GLN A 1 134 ? 12.248 -16.380 11.036 0.50 14.92 ? 134 GLN A N 1 ATOM 1079 N N B GLN A 1 134 ? 12.213 -16.399 11.032 0.50 15.86 ? 134 GLN A N 1 ATOM 1080 C CA A GLN A 1 134 ? 13.412 -16.729 10.224 0.50 15.69 ? 134 GLN A CA 1 ATOM 1081 C CA B GLN A 1 134 ? 13.275 -16.991 10.186 0.50 17.97 ? 134 GLN A CA 1 ATOM 1082 C C A GLN A 1 134 ? 13.110 -16.262 8.793 0.50 16.31 ? 134 GLN A C 1 ATOM 1083 C C B GLN A 1 134 ? 13.117 -16.577 8.703 0.50 17.85 ? 134 GLN A C 1 ATOM 1084 O O A GLN A 1 134 ? 11.956 -16.131 8.373 0.50 14.19 ? 134 GLN A O 1 ATOM 1085 O O B GLN A 1 134 ? 12.028 -16.841 8.154 0.50 16.95 ? 134 GLN A O 1 ATOM 1086 C CB A GLN A 1 134 ? 13.636 -18.254 10.301 0.50 15.43 ? 134 GLN A CB 1 ATOM 1087 C CB B GLN A 1 134 ? 13.102 -18.522 10.196 0.50 17.11 ? 134 GLN A CB 1 ATOM 1088 C CG A GLN A 1 134 ? 13.344 -18.824 11.711 0.50 15.38 ? 134 GLN A CG 1 ATOM 1089 C CG B GLN A 1 134 ? 13.883 -19.172 9.078 0.50 23.98 ? 134 GLN A CG 1 ATOM 1090 C CD A GLN A 1 134 ? 13.530 -20.300 11.897 0.50 19.18 ? 134 GLN A CD 1 ATOM 1091 C CD B GLN A 1 134 ? 13.504 -20.637 8.844 0.50 25.19 ? 134 GLN A CD 1 ATOM 1092 O OE1 A GLN A 1 134 ? 13.722 -21.062 10.945 0.50 12.95 ? 134 GLN A OE1 1 ATOM 1093 O OE1 B GLN A 1 134 ? 13.122 -21.338 9.779 0.50 25.38 ? 134 GLN A OE1 1 ATOM 1094 N NE2 A GLN A 1 134 ? 13.539 -20.719 13.176 0.50 17.99 ? 134 GLN A NE2 1 ATOM 1095 N NE2 B GLN A 1 134 ? 13.632 -21.104 7.582 0.50 26.41 ? 134 GLN A NE2 1 ATOM 1096 N N . THR A 1 135 ? 14.157 -16.010 8.029 1.00 16.77 ? 135 THR A N 1 ATOM 1097 C CA . THR A 1 135 ? 14.015 -15.736 6.577 1.00 16.05 ? 135 THR A CA 1 ATOM 1098 C C . THR A 1 135 ? 14.127 -17.146 5.970 1.00 17.53 ? 135 THR A C 1 ATOM 1099 O O . THR A 1 135 ? 14.859 -17.968 6.558 1.00 21.65 ? 135 THR A O 1 ATOM 1100 C CB . THR A 1 135 ? 15.153 -14.742 6.054 1.00 15.25 ? 135 THR A CB 1 ATOM 1101 O OG1 . THR A 1 135 ? 16.415 -15.150 6.547 1.00 18.25 ? 135 THR A OG1 1 ATOM 1102 C CG2 . THR A 1 135 ? 14.958 -13.381 6.624 1.00 17.30 ? 135 THR A CG2 1 ATOM 1103 N N . VAL A 1 136 ? 13.487 -17.465 4.840 1.00 14.07 ? 136 VAL A N 1 ATOM 1104 C CA . VAL A 1 136 ? 13.652 -18.813 4.271 1.00 14.79 ? 136 VAL A CA 1 ATOM 1105 C C . VAL A 1 136 ? 14.829 -18.706 3.249 1.00 13.08 ? 136 VAL A C 1 ATOM 1106 O O . VAL A 1 136 ? 15.174 -17.632 2.801 1.00 14.77 ? 136 VAL A O 1 ATOM 1107 C CB . VAL A 1 136 ? 12.365 -19.336 3.656 1.00 15.76 ? 136 VAL A CB 1 ATOM 1108 C CG1 . VAL A 1 136 ? 11.162 -19.021 4.689 1.00 18.25 ? 136 VAL A CG1 1 ATOM 1109 C CG2 . VAL A 1 136 ? 12.054 -18.602 2.399 1.00 18.81 ? 136 VAL A CG2 1 ATOM 1110 N N . PRO A 1 137 ? 15.491 -19.810 2.991 1.00 13.02 ? 137 PRO A N 1 ATOM 1111 C CA . PRO A 1 137 ? 16.611 -19.679 2.065 1.00 12.49 ? 137 PRO A CA 1 ATOM 1112 C C . PRO A 1 137 ? 16.124 -19.182 0.690 1.00 12.48 ? 137 PRO A C 1 ATOM 1113 O O . PRO A 1 137 ? 15.066 -19.565 0.218 1.00 12.44 ? 137 PRO A O 1 ATOM 1114 C CB . PRO A 1 137 ? 17.226 -21.056 2.025 1.00 13.30 ? 137 PRO A CB 1 ATOM 1115 C CG . PRO A 1 137 ? 16.467 -21.921 3.052 1.00 14.40 ? 137 PRO A CG 1 ATOM 1116 C CD . PRO A 1 137 ? 15.235 -21.162 3.491 1.00 13.68 ? 137 PRO A CD 1 ATOM 1117 N N . GLY A 1 138 ? 16.849 -18.212 0.145 1.00 13.75 ? 138 GLY A N 1 ATOM 1118 C CA . GLY A 1 138 ? 16.465 -17.619 -1.132 1.00 14.83 ? 138 GLY A CA 1 ATOM 1119 C C . GLY A 1 138 ? 15.868 -16.235 -0.923 1.00 14.92 ? 138 GLY A C 1 ATOM 1120 O O . GLY A 1 138 ? 15.813 -15.485 -1.859 1.00 17.79 ? 138 GLY A O 1 ATOM 1121 N N . ALA A 1 139 ? 15.497 -15.865 0.295 1.00 13.11 ? 139 ALA A N 1 ATOM 1122 C CA . ALA A 1 139 ? 14.888 -14.554 0.527 1.00 14.26 ? 139 ALA A CA 1 ATOM 1123 C C . ALA A 1 139 ? 15.930 -13.477 0.399 1.00 14.20 ? 139 ALA A C 1 ATOM 1124 O O . ALA A 1 139 ? 17.104 -13.733 0.653 1.00 16.11 ? 139 ALA A O 1 ATOM 1125 C CB . ALA A 1 139 ? 14.351 -14.510 1.940 1.00 13.08 ? 139 ALA A CB 1 ATOM 1126 N N . PRO A 1 140 ? 15.535 -12.242 0.029 1.00 16.92 ? 140 PRO A N 1 ATOM 1127 C CA . PRO A 1 140 ? 16.564 -11.213 -0.156 1.00 17.03 ? 140 PRO A CA 1 ATOM 1128 C C . PRO A 1 140 ? 17.301 -10.914 1.163 1.00 16.62 ? 140 PRO A C 1 ATOM 1129 O O . PRO A 1 140 ? 16.716 -10.908 2.216 1.00 15.77 ? 140 PRO A O 1 ATOM 1130 C CB . PRO A 1 140 ? 15.782 -9.981 -0.537 1.00 17.92 ? 140 PRO A CB 1 ATOM 1131 C CG . PRO A 1 140 ? 14.361 -10.348 -0.611 1.00 20.06 ? 140 PRO A CG 1 ATOM 1132 C CD . PRO A 1 140 ? 14.203 -11.830 -0.415 1.00 16.39 ? 140 PRO A CD 1 ATOM 1133 N N . SER A 1 141 ? 18.577 -10.628 1.075 1.00 14.82 ? 141 SER A N 1 ATOM 1134 C CA . SER A 1 141 ? 19.377 -10.547 2.259 1.00 15.16 ? 141 SER A CA 1 ATOM 1135 C C . SER A 1 141 ? 19.077 -9.265 3.103 1.00 14.23 ? 141 SER A C 1 ATOM 1136 O O . SER A 1 141 ? 19.419 -9.253 4.250 1.00 14.31 ? 141 SER A O 1 ATOM 1137 C CB . SER A 1 141 ? 20.849 -10.701 1.901 1.00 16.93 ? 141 SER A CB 1 ATOM 1138 O OG . SER A 1 141 ? 21.256 -9.581 1.182 1.00 17.60 ? 141 SER A OG 1 ATOM 1139 N N . TRP A 1 142 ? 18.424 -8.246 2.538 1.00 13.59 ? 142 TRP A N 1 ATOM 1140 C CA . TRP A 1 142 ? 18.090 -7.062 3.302 1.00 14.57 ? 142 TRP A CA 1 ATOM 1141 C C . TRP A 1 142 ? 17.045 -7.357 4.360 1.00 15.31 ? 142 TRP A C 1 ATOM 1142 O O . TRP A 1 142 ? 16.829 -6.516 5.210 1.00 16.02 ? 142 TRP A O 1 ATOM 1143 C CB . TRP A 1 142 ? 17.605 -5.878 2.415 1.00 14.64 ? 142 TRP A CB 1 ATOM 1144 C CG . TRP A 1 142 ? 16.337 -6.110 1.676 1.00 17.06 ? 142 TRP A CG 1 ATOM 1145 C CD1 . TRP A 1 142 ? 16.159 -6.679 0.427 1.00 20.50 ? 142 TRP A CD1 1 ATOM 1146 C CD2 . TRP A 1 142 ? 15.046 -5.795 2.159 1.00 23.96 ? 142 TRP A CD2 1 ATOM 1147 N NE1 . TRP A 1 142 ? 14.816 -6.716 0.116 1.00 26.02 ? 142 TRP A NE1 1 ATOM 1148 C CE2 . TRP A 1 142 ? 14.112 -6.191 1.170 1.00 27.98 ? 142 TRP A CE2 1 ATOM 1149 C CE3 . TRP A 1 142 ? 14.587 -5.167 3.324 1.00 30.51 ? 142 TRP A CE3 1 ATOM 1150 C CZ2 . TRP A 1 142 ? 12.751 -6.000 1.323 1.00 33.34 ? 142 TRP A CZ2 1 ATOM 1151 C CZ3 . TRP A 1 142 ? 13.214 -4.947 3.473 1.00 35.13 ? 142 TRP A CZ3 1 ATOM 1152 C CH2 . TRP A 1 142 ? 12.320 -5.353 2.467 1.00 35.77 ? 142 TRP A CH2 1 ATOM 1153 N N . LEU A 1 143 ? 16.371 -8.494 4.266 1.00 14.67 ? 143 LEU A N 1 ATOM 1154 C CA . LEU A 1 143 ? 15.385 -8.884 5.315 1.00 16.62 ? 143 LEU A CA 1 ATOM 1155 C C . LEU A 1 143 ? 16.057 -9.416 6.601 1.00 16.16 ? 143 LEU A C 1 ATOM 1156 O O . LEU A 1 143 ? 15.403 -9.509 7.630 1.00 17.04 ? 143 LEU A O 1 ATOM 1157 C CB . LEU A 1 143 ? 14.380 -9.909 4.787 1.00 16.93 ? 143 LEU A CB 1 ATOM 1158 C CG . LEU A 1 143 ? 13.396 -9.317 3.798 1.00 21.26 ? 143 LEU A CG 1 ATOM 1159 C CD1 . LEU A 1 143 ? 12.760 -10.559 3.088 1.00 19.42 ? 143 LEU A CD1 1 ATOM 1160 C CD2 . LEU A 1 143 ? 12.325 -8.435 4.576 1.00 26.39 ? 143 LEU A CD2 1 ATOM 1161 N N . ASP A 1 144 ? 17.311 -9.839 6.534 1.00 16.17 ? 144 ASP A N 1 ATOM 1162 C CA . ASP A 1 144 ? 17.967 -10.417 7.703 1.00 16.53 ? 144 ASP A CA 1 ATOM 1163 C C . ASP A 1 144 ? 17.965 -9.491 8.913 1.00 17.26 ? 144 ASP A C 1 ATOM 1164 O O . ASP A 1 144 ? 17.627 -9.944 10.016 1.00 16.57 ? 144 ASP A O 1 ATOM 1165 C CB . ASP A 1 144 ? 19.414 -10.843 7.406 1.00 16.18 ? 144 ASP A CB 1 ATOM 1166 C CG . ASP A 1 144 ? 19.485 -11.985 6.392 1.00 16.85 ? 144 ASP A CG 1 ATOM 1167 O OD1 . ASP A 1 144 ? 18.417 -12.514 6.087 1.00 20.67 ? 144 ASP A OD1 1 ATOM 1168 O OD2 . ASP A 1 144 ? 20.574 -12.349 5.904 1.00 19.18 ? 144 ASP A OD2 1 ATOM 1169 N N . LEU A 1 145 ? 18.362 -8.222 8.731 1.00 16.78 ? 145 LEU A N 1 ATOM 1170 C CA . LEU A 1 145 ? 18.486 -7.282 9.822 1.00 19.87 ? 145 LEU A CA 1 ATOM 1171 C C . LEU A 1 145 ? 17.101 -6.955 10.487 1.00 20.68 ? 145 LEU A C 1 ATOM 1172 O O . LEU A 1 145 ? 16.951 -7.003 11.708 1.00 18.48 ? 145 LEU A O 1 ATOM 1173 C CB . LEU A 1 145 ? 19.122 -5.982 9.335 1.00 20.60 ? 145 LEU A CB 1 ATOM 1174 C CG . LEU A 1 145 ? 19.460 -4.939 10.435 1.00 22.20 ? 145 LEU A CG 1 ATOM 1175 C CD1 . LEU A 1 145 ? 20.279 -5.524 11.631 1.00 24.67 ? 145 LEU A CD1 1 ATOM 1176 C CD2 . LEU A 1 145 ? 20.195 -3.691 9.789 1.00 30.43 ? 145 LEU A CD2 1 ATOM 1177 N N . PRO A 1 146 ? 16.117 -6.558 9.695 1.00 21.63 ? 146 PRO A N 1 ATOM 1178 C CA . PRO A 1 146 ? 14.776 -6.372 10.331 1.00 20.60 ? 146 PRO A CA 1 ATOM 1179 C C . PRO A 1 146 ? 14.246 -7.632 11.018 1.00 19.89 ? 146 PRO A C 1 ATOM 1180 O O . PRO A 1 146 ? 13.546 -7.523 12.064 1.00 18.03 ? 146 PRO A O 1 ATOM 1181 C CB . PRO A 1 146 ? 13.853 -6.031 9.149 1.00 23.24 ? 146 PRO A CB 1 ATOM 1182 C CG . PRO A 1 146 ? 14.685 -6.127 7.943 1.00 22.42 ? 146 PRO A CG 1 ATOM 1183 C CD . PRO A 1 146 ? 16.132 -6.224 8.264 1.00 21.73 ? 146 PRO A CD 1 ATOM 1184 N N . ILE A 1 147 ? 14.537 -8.843 10.508 1.00 18.01 ? 147 ILE A N 1 ATOM 1185 C CA . ILE A 1 147 ? 14.087 -10.055 11.196 1.00 17.92 ? 147 ILE A CA 1 ATOM 1186 C C . ILE A 1 147 ? 14.879 -10.246 12.526 1.00 17.30 ? 147 ILE A C 1 ATOM 1187 O O . ILE A 1 147 ? 14.327 -10.641 13.554 1.00 16.45 ? 147 ILE A O 1 ATOM 1188 C CB . ILE A 1 147 ? 14.136 -11.302 10.294 1.00 16.76 ? 147 ILE A CB 1 ATOM 1189 C CG1 . ILE A 1 147 ? 13.085 -11.219 9.145 1.00 19.85 ? 147 ILE A CG1 1 ATOM 1190 C CG2 . ILE A 1 147 ? 14.107 -12.596 11.052 1.00 20.31 ? 147 ILE A CG2 1 ATOM 1191 C CD1 . ILE A 1 147 ? 11.645 -10.949 9.503 1.00 19.30 ? 147 ILE A CD1 1 ATOM 1192 N N . LYS A 1 148 ? 16.181 -9.945 12.506 1.00 15.93 ? 148 LYS A N 1 ATOM 1193 C CA . LYS A 1 148 ? 16.965 -10.024 13.757 1.00 15.69 ? 148 LYS A CA 1 ATOM 1194 C C . LYS A 1 148 ? 16.335 -9.064 14.813 1.00 17.14 ? 148 LYS A C 1 ATOM 1195 O O . LYS A 1 148 ? 16.165 -9.422 15.992 1.00 16.30 ? 148 LYS A O 1 ATOM 1196 C CB . LYS A 1 148 ? 18.462 -9.751 13.478 1.00 15.67 ? 148 LYS A CB 1 ATOM 1197 C CG . LYS A 1 148 ? 19.358 -9.749 14.714 1.00 16.15 ? 148 LYS A CG 1 ATOM 1198 C CD . LYS A 1 148 ? 19.518 -8.425 15.265 1.00 26.66 ? 148 LYS A CD 1 ATOM 1199 C CE . LYS A 1 148 ? 20.940 -8.395 16.007 1.00 32.17 ? 148 LYS A CE 1 ATOM 1200 N NZ . LYS A 1 148 ? 20.954 -7.286 16.982 1.00 29.91 ? 148 LYS A NZ 1 ATOM 1201 N N . VAL A 1 149 ? 15.995 -7.851 14.397 1.00 17.71 ? 149 VAL A N 1 ATOM 1202 C CA . VAL A 1 149 ? 15.408 -6.884 15.317 1.00 19.45 ? 149 VAL A CA 1 ATOM 1203 C C . VAL A 1 149 ? 14.069 -7.372 15.847 1.00 18.03 ? 149 VAL A C 1 ATOM 1204 O O . VAL A 1 149 ? 13.783 -7.276 17.055 1.00 17.83 ? 149 VAL A O 1 ATOM 1205 C CB . VAL A 1 149 ? 15.277 -5.513 14.662 1.00 21.30 ? 149 VAL A CB 1 ATOM 1206 C CG1 . VAL A 1 149 ? 14.498 -4.523 15.567 1.00 24.30 ? 149 VAL A CG1 1 ATOM 1207 C CG2 . VAL A 1 149 ? 16.684 -4.960 14.390 1.00 20.90 ? 149 VAL A CG2 1 ATOM 1208 N N . LEU A 1 150 ? 13.245 -7.900 14.976 1.00 16.21 ? 150 LEU A N 1 ATOM 1209 C CA . LEU A 1 150 ? 11.953 -8.401 15.423 1.00 18.76 ? 150 LEU A CA 1 ATOM 1210 C C . LEU A 1 150 ? 12.185 -9.555 16.409 1.00 17.75 ? 150 LEU A C 1 ATOM 1211 O O . LEU A 1 150 ? 11.427 -9.752 17.421 1.00 16.28 ? 150 LEU A O 1 ATOM 1212 C CB . LEU A 1 150 ? 11.148 -8.831 14.166 1.00 19.39 ? 150 LEU A CB 1 ATOM 1213 C CG . LEU A 1 150 ? 9.804 -9.448 14.350 1.00 20.64 ? 150 LEU A CG 1 ATOM 1214 C CD1 . LEU A 1 150 ? 8.849 -8.450 14.948 1.00 20.18 ? 150 LEU A CD1 1 ATOM 1215 C CD2 . LEU A 1 150 ? 9.268 -9.948 13.005 1.00 21.62 ? 150 LEU A CD2 1 ATOM 1216 N N . ASN A 1 151 ? 13.240 -10.340 16.193 1.00 17.46 ? 151 ASN A N 1 ATOM 1217 C CA . ASN A 1 151 ? 13.494 -11.446 17.163 1.00 16.82 ? 151 ASN A CA 1 ATOM 1218 C C . ASN A 1 151 ? 13.945 -10.973 18.528 1.00 17.24 ? 151 ASN A C 1 ATOM 1219 O O . ASN A 1 151 ? 13.923 -11.754 19.470 1.00 19.75 ? 151 ASN A O 1 ATOM 1220 C CB . ASN A 1 151 ? 14.501 -12.461 16.644 1.00 18.47 ? 151 ASN A CB 1 ATOM 1221 C CG . ASN A 1 151 ? 13.872 -13.432 15.702 1.00 19.60 ? 151 ASN A CG 1 ATOM 1222 O OD1 . ASN A 1 151 ? 12.726 -13.825 15.901 1.00 18.64 ? 151 ASN A OD1 1 ATOM 1223 N ND2 . ASN A 1 151 ? 14.603 -13.831 14.664 1.00 16.87 ? 151 ASN A ND2 1 ATOM 1224 N N . ALA A 1 152 ? 14.359 -9.724 18.664 1.00 16.28 ? 152 ALA A N 1 ATOM 1225 C CA . ALA A 1 152 ? 14.768 -9.218 19.976 1.00 17.84 ? 152 ALA A CA 1 ATOM 1226 C C . ALA A 1 152 ? 13.531 -8.839 20.776 1.00 18.09 ? 152 ALA A C 1 ATOM 1227 O O . ALA A 1 152 ? 13.612 -8.694 21.994 1.00 17.80 ? 152 ALA A O 1 ATOM 1228 C CB . ALA A 1 152 ? 15.776 -8.012 19.825 1.00 18.34 ? 152 ALA A CB 1 ATOM 1229 N N . ASP A 1 153 ? 12.389 -8.745 20.106 1.00 16.28 ? 153 ASP A N 1 ATOM 1230 C CA . ASP A 1 153 ? 11.157 -8.318 20.747 1.00 15.79 ? 153 ASP A CA 1 ATOM 1231 C C . ASP A 1 153 ? 10.524 -9.561 21.434 1.00 14.54 ? 153 ASP A C 1 ATOM 1232 O O . ASP A 1 153 ? 9.747 -10.328 20.852 1.00 15.32 ? 153 ASP A O 1 ATOM 1233 C CB . ASP A 1 153 ? 10.224 -7.598 19.774 1.00 15.80 ? 153 ASP A CB 1 ATOM 1234 C CG . ASP A 1 153 ? 8.863 -7.207 20.408 1.00 20.72 ? 153 ASP A CG 1 ATOM 1235 O OD1 . ASP A 1 153 ? 8.636 -7.579 21.577 1.00 20.08 ? 153 ASP A OD1 1 ATOM 1236 O OD2 . ASP A 1 153 ? 8.002 -6.607 19.726 1.00 19.63 ? 153 ASP A OD2 1 ATOM 1237 N N . GLN A 1 154 ? 10.937 -9.785 22.693 1.00 13.67 ? 154 GLN A N 1 ATOM 1238 C CA . GLN A 1 154 ? 10.614 -11.031 23.362 1.00 14.22 ? 154 GLN A CA 1 ATOM 1239 C C . GLN A 1 154 ? 9.123 -11.147 23.594 1.00 14.85 ? 154 GLN A C 1 ATOM 1240 O O . GLN A 1 154 ? 8.589 -12.268 23.613 1.00 15.79 ? 154 GLN A O 1 ATOM 1241 C CB . GLN A 1 154 ? 11.219 -11.021 24.785 1.00 13.02 ? 154 GLN A CB 1 ATOM 1242 C CG . GLN A 1 154 ? 12.626 -11.498 24.893 1.00 16.41 ? 154 GLN A CG 1 ATOM 1243 C CD . GLN A 1 154 ? 13.054 -11.442 26.371 1.00 17.22 ? 154 GLN A CD 1 ATOM 1244 O OE1 . GLN A 1 154 ? 13.537 -10.425 26.825 1.00 20.87 ? 154 GLN A OE1 1 ATOM 1245 N NE2 . GLN A 1 154 ? 12.792 -12.507 27.115 1.00 19.08 ? 154 GLN A NE2 1 ATOM 1246 N N . GLY A 1 155 ? 8.463 -10.017 23.887 1.00 14.30 ? 155 GLY A N 1 ATOM 1247 C CA . GLY A 1 155 ? 6.992 -10.016 24.178 1.00 14.94 ? 155 GLY A CA 1 ATOM 1248 C C . GLY A 1 155 ? 6.198 -10.433 22.918 1.00 15.21 ? 155 GLY A C 1 ATOM 1249 O O . GLY A 1 155 ? 5.218 -11.126 22.985 1.00 14.08 ? 155 GLY A O 1 ATOM 1250 N N . THR A 1 156 ? 6.657 -9.996 21.748 1.00 13.39 ? 156 THR A N 1 ATOM 1251 C CA . THR A 1 156 ? 5.990 -10.376 20.522 1.00 13.39 ? 156 THR A CA 1 ATOM 1252 C C . THR A 1 156 ? 6.210 -11.858 20.278 1.00 14.09 ? 156 THR A C 1 ATOM 1253 O O . THR A 1 156 ? 5.274 -12.576 19.939 1.00 15.16 ? 156 THR A O 1 ATOM 1254 C CB . THR A 1 156 ? 6.462 -9.471 19.322 1.00 15.26 ? 156 THR A CB 1 ATOM 1255 O OG1 . THR A 1 156 ? 5.810 -8.183 19.467 1.00 16.27 ? 156 THR A OG1 1 ATOM 1256 C CG2 . THR A 1 156 ? 6.021 -10.050 18.042 1.00 13.95 ? 156 THR A CG2 1 ATOM 1257 N N . SER A 1 157 ? 7.435 -12.323 20.516 1.00 13.85 ? 157 SER A N 1 ATOM 1258 C CA . SER A 1 157 ? 7.760 -13.741 20.319 1.00 14.93 ? 157 SER A CA 1 ATOM 1259 C C . SER A 1 157 ? 6.899 -14.597 21.256 1.00 13.69 ? 157 SER A C 1 ATOM 1260 O O . SER A 1 157 ? 6.401 -15.638 20.875 1.00 13.33 ? 157 SER A O 1 ATOM 1261 C CB . SER A 1 157 ? 9.280 -14.011 20.508 1.00 16.11 ? 157 SER A CB 1 ATOM 1262 O OG . SER A 1 157 ? 9.556 -15.422 20.289 1.00 19.89 ? 157 SER A OG 1 ATOM 1263 N N . ALA A 1 158 ? 6.764 -14.183 22.501 1.00 14.12 ? 158 ALA A N 1 ATOM 1264 C CA . ALA A 1 158 ? 5.939 -14.960 23.452 1.00 13.83 ? 158 ALA A CA 1 ATOM 1265 C C . ALA A 1 158 ? 4.467 -14.988 23.074 1.00 14.39 ? 158 ALA A C 1 ATOM 1266 O O . ALA A 1 158 ? 3.780 -16.054 23.216 1.00 14.07 ? 158 ALA A O 1 ATOM 1267 C CB . ALA A 1 158 ? 6.140 -14.387 24.845 1.00 12.22 ? 158 ALA A CB 1 ATOM 1268 N N . THR A 1 159 ? 3.944 -13.842 22.634 1.00 14.15 ? 159 THR A N 1 ATOM 1269 C CA . THR A 1 159 ? 2.569 -13.793 22.125 1.00 15.20 ? 159 THR A CA 1 ATOM 1270 C C . THR A 1 159 ? 2.355 -14.675 20.930 1.00 14.79 ? 159 THR A C 1 ATOM 1271 O O . THR A 1 159 ? 1.368 -15.376 20.863 1.00 13.97 ? 159 THR A O 1 ATOM 1272 C CB . THR A 1 159 ? 2.185 -12.346 21.757 1.00 15.36 ? 159 THR A CB 1 ATOM 1273 O OG1 . THR A 1 159 ? 2.362 -11.595 22.921 1.00 17.97 ? 159 THR A OG1 1 ATOM 1274 C CG2 . THR A 1 159 ? 0.751 -12.179 21.363 1.00 17.57 ? 159 THR A CG2 1 ATOM 1275 N N . VAL A 1 160 ? 3.263 -14.619 19.962 1.00 15.15 ? 160 VAL A N 1 ATOM 1276 C CA . VAL A 1 160 ? 3.143 -15.480 18.768 1.00 14.37 ? 160 VAL A CA 1 ATOM 1277 C C . VAL A 1 160 ? 3.222 -16.954 19.089 1.00 14.93 ? 160 VAL A C 1 ATOM 1278 O O . VAL A 1 160 ? 2.370 -17.693 18.599 1.00 14.68 ? 160 VAL A O 1 ATOM 1279 C CB . VAL A 1 160 ? 4.169 -15.106 17.703 1.00 15.97 ? 160 VAL A CB 1 ATOM 1280 C CG1 . VAL A 1 160 ? 4.120 -16.077 16.543 1.00 18.09 ? 160 VAL A CG1 1 ATOM 1281 C CG2 . VAL A 1 160 ? 3.837 -13.731 17.196 1.00 15.28 ? 160 VAL A CG2 1 ATOM 1282 N N . GLN A 1 161 ? 4.168 -17.357 19.966 1.00 13.32 ? 161 GLN A N 1 ATOM 1283 C CA . GLN A 1 161 ? 4.253 -18.749 20.400 1.00 15.58 ? 161 GLN A CA 1 ATOM 1284 C C . GLN A 1 161 ? 2.926 -19.162 21.073 1.00 16.65 ? 161 GLN A C 1 ATOM 1285 O O . GLN A 1 161 ? 2.474 -20.298 20.859 1.00 16.62 ? 161 GLN A O 1 ATOM 1286 C CB . GLN A 1 161 ? 5.376 -18.960 21.407 1.00 14.89 ? 161 GLN A CB 1 ATOM 1287 C CG . GLN A 1 161 ? 6.774 -18.722 20.808 1.00 18.14 ? 161 GLN A CG 1 ATOM 1288 C CD . GLN A 1 161 ? 7.840 -18.840 21.866 1.00 20.09 ? 161 GLN A CD 1 ATOM 1289 O OE1 . GLN A 1 161 ? 7.802 -19.748 22.679 1.00 16.95 ? 161 GLN A OE1 1 ATOM 1290 N NE2 . GLN A 1 161 ? 8.770 -17.891 21.886 1.00 18.47 ? 161 GLN A NE2 1 ATOM 1291 N N . MET A 1 162 ? 2.368 -18.301 21.951 1.00 16.34 ? 162 MET A N 1 ATOM 1292 C CA . MET A 1 162 ? 1.051 -18.602 22.565 1.00 17.07 ? 162 MET A CA 1 ATOM 1293 C C . MET A 1 162 ? -0.042 -18.815 21.509 1.00 16.98 ? 162 MET A C 1 ATOM 1294 O O . MET A 1 162 ? -0.757 -19.805 21.554 1.00 16.37 ? 162 MET A O 1 ATOM 1295 C CB . MET A 1 162 ? 0.615 -17.499 23.548 1.00 16.69 ? 162 MET A CB 1 ATOM 1296 C CG . MET A 1 162 ? -0.789 -17.596 24.138 1.00 21.65 ? 162 MET A CG 1 ATOM 1297 S SD . MET A 1 162 ? -1.273 -16.037 24.987 1.00 23.24 ? 162 MET A SD 1 ATOM 1298 C CE . MET A 1 162 ? -1.705 -15.139 23.492 1.00 23.67 ? 162 MET A CE 1 ATOM 1299 N N . LEU A 1 163 ? -0.159 -17.880 20.595 1.00 15.31 ? 163 LEU A N 1 ATOM 1300 C CA . LEU A 1 163 ? -1.207 -17.912 19.592 1.00 17.89 ? 163 LEU A CA 1 ATOM 1301 C C . LEU A 1 163 ? -1.083 -19.128 18.732 1.00 17.23 ? 163 LEU A C 1 ATOM 1302 O O . LEU A 1 163 ? -2.089 -19.804 18.502 1.00 20.01 ? 163 LEU A O 1 ATOM 1303 C CB . LEU A 1 163 ? -1.127 -16.649 18.750 1.00 17.52 ? 163 LEU A CB 1 ATOM 1304 C CG . LEU A 1 163 ? -1.609 -15.381 19.454 1.00 15.55 ? 163 LEU A CG 1 ATOM 1305 C CD1 . LEU A 1 163 ? -1.259 -14.165 18.610 1.00 19.50 ? 163 LEU A CD1 1 ATOM 1306 C CD2 . LEU A 1 163 ? -3.137 -15.446 19.705 1.00 20.43 ? 163 LEU A CD2 1 ATOM 1307 N N . LEU A 1 164 ? 0.123 -19.446 18.277 1.00 16.64 ? 164 LEU A N 1 ATOM 1308 C CA . LEU A 1 164 ? 0.358 -20.626 17.435 1.00 17.95 ? 164 LEU A CA 1 ATOM 1309 C C . LEU A 1 164 ? 0.178 -21.897 18.198 1.00 19.68 ? 164 LEU A C 1 ATOM 1310 O O . LEU A 1 164 ? -0.665 -22.717 17.808 1.00 22.67 ? 164 LEU A O 1 ATOM 1311 C CB . LEU A 1 164 ? 1.750 -20.617 16.744 1.00 17.85 ? 164 LEU A CB 1 ATOM 1312 C CG . LEU A 1 164 ? 1.933 -19.468 15.755 1.00 21.41 ? 164 LEU A CG 1 ATOM 1313 C CD1 . LEU A 1 164 ? 3.378 -19.281 15.315 1.00 22.75 ? 164 LEU A CD1 1 ATOM 1314 C CD2 . LEU A 1 164 ? 1.026 -19.635 14.498 1.00 22.23 ? 164 LEU A CD2 1 ATOM 1315 N N . ASN A 1 165 ? 0.889 -22.055 19.332 1.00 19.33 ? 165 ASN A N 1 ATOM 1316 C CA . ASN A 1 165 ? 0.905 -23.352 20.053 1.00 20.75 ? 165 ASN A CA 1 ATOM 1317 C C . ASN A 1 165 ? -0.370 -23.564 20.869 1.00 20.96 ? 165 ASN A C 1 ATOM 1318 O O . ASN A 1 165 ? -0.733 -24.705 21.126 1.00 20.66 ? 165 ASN A O 1 ATOM 1319 C CB . ASN A 1 165 ? 2.067 -23.450 21.054 1.00 19.54 ? 165 ASN A CB 1 ATOM 1320 C CG . ASN A 1 165 ? 3.442 -23.326 20.408 1.00 20.55 ? 165 ASN A CG 1 ATOM 1321 O OD1 . ASN A 1 165 ? 3.571 -22.986 19.228 1.00 21.81 ? 165 ASN A OD1 1 ATOM 1322 N ND2 . ASN A 1 165 ? 4.475 -23.603 21.205 1.00 18.24 ? 165 ASN A ND2 1 ATOM 1323 N N . ASP A 1 166 ? -1.071 -22.493 21.265 1.00 20.65 ? 166 ASP A N 1 ATOM 1324 C CA . ASP A 1 166 ? -2.193 -22.682 22.228 1.00 20.56 ? 166 ASP A CA 1 ATOM 1325 C C . ASP A 1 166 ? -3.515 -22.069 21.825 1.00 20.05 ? 166 ASP A C 1 ATOM 1326 O O . ASP A 1 166 ? -4.509 -22.762 21.818 1.00 19.74 ? 166 ASP A O 1 ATOM 1327 C CB . ASP A 1 166 ? -1.786 -22.158 23.591 1.00 19.29 ? 166 ASP A CB 1 ATOM 1328 C CG . ASP A 1 166 ? -0.504 -22.824 24.111 1.00 24.60 ? 166 ASP A CG 1 ATOM 1329 O OD1 . ASP A 1 166 ? -0.400 -24.061 24.145 1.00 27.36 ? 166 ASP A OD1 1 ATOM 1330 O OD2 . ASP A 1 166 ? 0.430 -22.106 24.501 1.00 28.09 ? 166 ASP A OD2 1 ATOM 1331 N N . THR A 1 167 ? -3.555 -20.757 21.595 1.00 18.97 ? 167 THR A N 1 ATOM 1332 C CA . THR A 1 167 ? -4.831 -20.125 21.269 1.00 18.84 ? 167 THR A CA 1 ATOM 1333 C C . THR A 1 167 ? -5.429 -20.803 20.033 1.00 19.42 ? 167 THR A C 1 ATOM 1334 O O . THR A 1 167 ? -6.619 -21.090 20.009 1.00 18.44 ? 167 THR A O 1 ATOM 1335 C CB . THR A 1 167 ? -4.653 -18.583 20.986 1.00 20.44 ? 167 THR A CB 1 ATOM 1336 O OG1 . THR A 1 167 ? -3.739 -18.028 21.949 1.00 19.38 ? 167 THR A OG1 1 ATOM 1337 C CG2 . THR A 1 167 ? -5.974 -17.844 21.125 1.00 20.87 ? 167 THR A CG2 1 ATOM 1338 N N . CYS A 1 168 ? -4.611 -21.050 18.991 1.00 20.36 ? 168 CYS A N 1 ATOM 1339 C CA . CYS A 1 168 ? -5.149 -21.580 17.698 1.00 20.01 ? 168 CYS A CA 1 ATOM 1340 C C . CYS A 1 168 ? -5.916 -22.894 17.849 1.00 21.87 ? 168 CYS A C 1 ATOM 1341 O O . CYS A 1 168 ? -7.137 -22.922 17.601 1.00 20.10 ? 168 CYS A O 1 ATOM 1342 C CB . CYS A 1 168 ? -4.031 -21.692 16.631 1.00 21.15 ? 168 CYS A CB 1 ATOM 1343 S SG . CYS A 1 168 ? -4.686 -22.021 14.897 1.00 27.07 ? 168 CYS A SG 1 ATOM 1344 N N . PRO A 1 169 ? -5.232 -23.975 18.309 1.00 22.67 ? 169 PRO A N 1 ATOM 1345 C CA . PRO A 1 169 ? -5.951 -25.258 18.392 1.00 23.30 ? 169 PRO A CA 1 ATOM 1346 C C . PRO A 1 169 ? -7.128 -25.177 19.384 1.00 23.49 ? 169 PRO A C 1 ATOM 1347 O O . PRO A 1 169 ? -8.158 -25.712 19.085 1.00 23.69 ? 169 PRO A O 1 ATOM 1348 C CB . PRO A 1 169 ? -4.907 -26.252 18.916 1.00 23.46 ? 169 PRO A CB 1 ATOM 1349 C CG . PRO A 1 169 ? -3.596 -25.451 19.132 1.00 24.33 ? 169 PRO A CG 1 ATOM 1350 C CD . PRO A 1 169 ? -3.780 -24.077 18.603 1.00 23.09 ? 169 PRO A CD 1 ATOM 1351 N N . LEU A 1 170 ? -6.967 -24.494 20.513 1.00 23.03 ? 170 LEU A N 1 ATOM 1352 C CA . LEU A 1 170 ? -8.108 -24.242 21.448 1.00 22.38 ? 170 LEU A CA 1 ATOM 1353 C C . LEU A 1 170 ? -9.330 -23.596 20.774 1.00 21.80 ? 170 LEU A C 1 ATOM 1354 O O . LEU A 1 170 ? -10.442 -24.083 20.901 1.00 20.52 ? 170 LEU A O 1 ATOM 1355 C CB . LEU A 1 170 ? -7.654 -23.346 22.600 1.00 21.93 ? 170 LEU A CB 1 ATOM 1356 C CG . LEU A 1 170 ? -8.747 -23.000 23.639 1.00 26.71 ? 170 LEU A CG 1 ATOM 1357 C CD1 . LEU A 1 170 ? -9.590 -24.187 24.071 1.00 27.33 ? 170 LEU A CD1 1 ATOM 1358 C CD2 . LEU A 1 170 ? -8.162 -22.323 24.868 1.00 30.09 ? 170 LEU A CD2 1 ATOM 1359 N N . PHE A 1 171 ? -9.120 -22.457 20.131 1.00 19.03 ? 171 PHE A N 1 ATOM 1360 C CA . PHE A 1 171 ? -10.184 -21.725 19.444 1.00 20.50 ? 171 PHE A CA 1 ATOM 1361 C C . PHE A 1 171 ? -10.832 -22.594 18.348 1.00 19.69 ? 171 PHE A C 1 ATOM 1362 O O . PHE A 1 171 ? -12.071 -22.630 18.228 1.00 19.50 ? 171 PHE A O 1 ATOM 1363 C CB . PHE A 1 171 ? -9.605 -20.511 18.699 1.00 19.62 ? 171 PHE A CB 1 ATOM 1364 C CG . PHE A 1 171 ? -10.664 -19.743 17.995 1.00 21.87 ? 171 PHE A CG 1 ATOM 1365 C CD1 . PHE A 1 171 ? -11.728 -19.222 18.722 1.00 19.23 ? 171 PHE A CD1 1 ATOM 1366 C CD2 . PHE A 1 171 ? -10.609 -19.567 16.604 1.00 24.80 ? 171 PHE A CD2 1 ATOM 1367 C CE1 . PHE A 1 171 ? -12.778 -18.510 18.044 1.00 24.67 ? 171 PHE A CE1 1 ATOM 1368 C CE2 . PHE A 1 171 ? -11.624 -18.871 15.925 1.00 27.89 ? 171 PHE A CE2 1 ATOM 1369 C CZ . PHE A 1 171 ? -12.716 -18.343 16.639 1.00 22.08 ? 171 PHE A CZ 1 ATOM 1370 N N . VAL A 1 172 ? -10.005 -23.276 17.554 1.00 18.69 ? 172 VAL A N 1 ATOM 1371 C CA . VAL A 1 172 ? -10.535 -24.138 16.470 1.00 19.35 ? 172 VAL A CA 1 ATOM 1372 C C . VAL A 1 172 ? -11.348 -25.356 17.046 1.00 20.38 ? 172 VAL A C 1 ATOM 1373 O O . VAL A 1 172 ? -12.377 -25.803 16.476 1.00 19.68 ? 172 VAL A O 1 ATOM 1374 C CB . VAL A 1 172 ? -9.395 -24.595 15.560 1.00 21.28 ? 172 VAL A CB 1 ATOM 1375 C CG1 . VAL A 1 172 ? -9.908 -25.527 14.438 1.00 23.07 ? 172 VAL A CG1 1 ATOM 1376 C CG2 . VAL A 1 172 ? -8.699 -23.326 14.878 1.00 18.88 ? 172 VAL A CG2 1 ATOM 1377 N N . ARG A 1 173 ? -10.894 -25.923 18.146 1.00 19.50 ? 173 ARG A N 1 ATOM 1378 C CA . ARG A 1 173 ? -11.777 -26.932 18.855 1.00 19.86 ? 173 ARG A CA 1 ATOM 1379 C C . ARG A 1 173 ? -13.127 -26.330 19.193 1.00 20.57 ? 173 ARG A C 1 ATOM 1380 O O . ARG A 1 173 ? -14.155 -26.976 19.013 1.00 20.51 ? 173 ARG A O 1 ATOM 1381 C CB . ARG A 1 173 ? -11.086 -27.501 20.113 1.00 22.30 ? 173 ARG A CB 1 ATOM 1382 C CG . ARG A 1 173 ? -9.922 -28.393 19.721 1.00 26.44 ? 173 ARG A CG 1 ATOM 1383 C CD . ARG A 1 173 ? -9.432 -29.295 20.831 1.00 38.07 ? 173 ARG A CD 1 ATOM 1384 N NE . ARG A 1 173 ? -8.023 -29.623 20.596 1.00 46.34 ? 173 ARG A NE 1 ATOM 1385 C CZ . ARG A 1 173 ? -7.567 -30.294 19.533 1.00 50.17 ? 173 ARG A CZ 1 ATOM 1386 N NH1 . ARG A 1 173 ? -8.429 -30.718 18.588 1.00 49.48 ? 173 ARG A NH1 1 ATOM 1387 N NH2 . ARG A 1 173 ? -6.250 -30.537 19.418 1.00 48.09 ? 173 ARG A NH2 1 ATOM 1388 N N . GLY A 1 174 ? -13.168 -25.075 19.640 1.00 20.70 ? 174 GLY A N 1 ATOM 1389 C CA . GLY A 1 174 ? -14.496 -24.468 19.935 1.00 20.66 ? 174 GLY A CA 1 ATOM 1390 C C . GLY A 1 174 ? -15.262 -24.320 18.608 1.00 19.84 ? 174 GLY A C 1 ATOM 1391 O O . GLY A 1 174 ? -16.444 -24.647 18.523 1.00 19.33 ? 174 GLY A O 1 ATOM 1392 N N . LEU A 1 175 ? -14.580 -23.920 17.547 1.00 18.20 ? 175 LEU A N 1 ATOM 1393 C CA . LEU A 1 175 ? -15.259 -23.726 16.223 1.00 19.10 ? 175 LEU A CA 1 ATOM 1394 C C . LEU A 1 175 ? -15.834 -25.044 15.674 1.00 20.90 ? 175 LEU A C 1 ATOM 1395 O O . LEU A 1 175 ? -16.960 -25.099 15.146 1.00 19.22 ? 175 LEU A O 1 ATOM 1396 C CB . LEU A 1 175 ? -14.320 -23.121 15.143 1.00 16.57 ? 175 LEU A CB 1 ATOM 1397 C CG . LEU A 1 175 ? -13.964 -21.644 15.208 1.00 18.93 ? 175 LEU A CG 1 ATOM 1398 C CD1 . LEU A 1 175 ? -12.913 -21.294 14.053 1.00 16.59 ? 175 LEU A CD1 1 ATOM 1399 C CD2 . LEU A 1 175 ? -15.122 -20.548 15.190 1.00 19.54 ? 175 LEU A CD2 1 ATOM 1400 N N . LEU A 1 176 ? -15.033 -26.100 15.775 1.00 21.96 ? 176 LEU A N 1 ATOM 1401 C CA . LEU A 1 176 ? -15.477 -27.392 15.289 1.00 22.96 ? 176 LEU A CA 1 ATOM 1402 C C . LEU A 1 176 ? -16.699 -27.906 16.056 1.00 23.69 ? 176 LEU A C 1 ATOM 1403 O O . LEU A 1 176 ? -17.629 -28.465 15.437 1.00 22.96 ? 176 LEU A O 1 ATOM 1404 C CB . LEU A 1 176 ? -14.286 -28.398 15.289 1.00 24.43 ? 176 LEU A CB 1 ATOM 1405 C CG . LEU A 1 176 ? -13.187 -28.313 14.192 1.00 26.36 ? 176 LEU A CG 1 ATOM 1406 C CD1 . LEU A 1 176 ? -12.047 -29.207 14.522 1.00 30.50 ? 176 LEU A CD1 1 ATOM 1407 C CD2 . LEU A 1 176 ? -13.706 -28.693 12.779 1.00 28.13 ? 176 LEU A CD2 1 ATOM 1408 N N . GLU A 1 177 ? -16.754 -27.698 17.379 1.00 22.84 ? 177 GLU A N 1 ATOM 1409 C CA . GLU A 1 177 ? -18.006 -27.954 18.103 1.00 24.60 ? 177 GLU A CA 1 ATOM 1410 C C . GLU A 1 177 ? -19.189 -27.021 17.733 1.00 23.87 ? 177 GLU A C 1 ATOM 1411 O O . GLU A 1 177 ? -20.334 -27.477 17.546 1.00 22.02 ? 177 GLU A O 1 ATOM 1412 C CB . GLU A 1 177 ? -17.779 -27.954 19.633 1.00 24.52 ? 177 GLU A CB 1 ATOM 1413 C CG . GLU A 1 177 ? -19.088 -28.044 20.492 1.00 28.70 ? 177 GLU A CG 1 ATOM 1414 C CD . GLU A 1 177 ? -18.842 -27.926 22.007 1.00 34.54 ? 177 GLU A CD 1 ATOM 1415 O OE1 . GLU A 1 177 ? -17.718 -28.274 22.451 1.00 38.69 ? 177 GLU A OE1 1 ATOM 1416 O OE2 . GLU A 1 177 ? -19.767 -27.497 22.766 1.00 35.09 ? 177 GLU A OE2 1 ATOM 1417 N N . ALA A 1 178 ? -18.927 -25.724 17.682 1.00 22.28 ? 178 ALA A N 1 ATOM 1418 C CA . ALA A 1 178 ? -20.005 -24.765 17.559 1.00 22.46 ? 178 ALA A CA 1 ATOM 1419 C C . ALA A 1 178 ? -20.626 -24.821 16.151 1.00 21.99 ? 178 ALA A C 1 ATOM 1420 O O . ALA A 1 178 ? -21.842 -24.602 15.997 1.00 24.34 ? 178 ALA A O 1 ATOM 1421 C CB . ALA A 1 178 ? -19.489 -23.342 17.876 1.00 20.65 ? 178 ALA A CB 1 ATOM 1422 N N . GLY A 1 179 ? -19.782 -25.115 15.164 1.00 22.60 ? 179 GLY A N 1 ATOM 1423 C CA . GLY A 1 179 ? -20.119 -25.093 13.722 1.00 22.24 ? 179 GLY A CA 1 ATOM 1424 C C . GLY A 1 179 ? -20.409 -26.457 13.117 1.00 21.48 ? 179 GLY A C 1 ATOM 1425 O O . GLY A 1 179 ? -20.537 -26.625 11.892 1.00 20.32 ? 179 GLY A O 1 ATOM 1426 N N . LYS A 1 180 ? -20.573 -27.423 14.002 1.00 22.25 ? 180 LYS A N 1 ATOM 1427 C CA . LYS A 1 180 ? -20.783 -28.792 13.612 1.00 22.95 ? 180 LYS A CA 1 ATOM 1428 C C . LYS A 1 180 ? -21.812 -28.988 12.497 1.00 23.67 ? 180 LYS A C 1 ATOM 1429 O O . LYS A 1 180 ? -21.544 -29.689 11.518 1.00 21.17 ? 180 LYS A O 1 ATOM 1430 C CB . LYS A 1 180 ? -21.220 -29.598 14.854 1.00 24.28 ? 180 LYS A CB 1 ATOM 1431 C CG . LYS A 1 180 ? -20.871 -31.070 14.739 1.00 27.96 ? 180 LYS A CG 1 ATOM 1432 C CD . LYS A 1 180 ? -21.195 -31.813 16.032 1.00 34.68 ? 180 LYS A CD 1 ATOM 1433 C CE . LYS A 1 180 ? -21.562 -33.293 15.782 1.00 38.24 ? 180 LYS A CE 1 ATOM 1434 N NZ . LYS A 1 180 ? -20.305 -34.013 15.377 1.00 39.75 ? 180 LYS A NZ 1 ATOM 1435 N N . SER A 1 181 ? -23.012 -28.419 12.654 1.00 23.08 ? 181 SER A N 1 ATOM 1436 C CA . SER A 1 181 ? -24.011 -28.607 11.622 1.00 24.20 ? 181 SER A CA 1 ATOM 1437 C C . SER A 1 181 ? -23.634 -28.012 10.286 1.00 23.25 ? 181 SER A C 1 ATOM 1438 O O . SER A 1 181 ? -23.985 -28.583 9.267 1.00 23.22 ? 181 SER A O 1 ATOM 1439 C CB . SER A 1 181 ? -25.445 -28.214 12.075 1.00 25.76 ? 181 SER A CB 1 ATOM 1440 O OG . SER A 1 181 ? -25.552 -26.802 12.028 1.00 32.01 ? 181 SER A OG 1 ATOM 1441 N N . ASP A 1 182 ? -22.875 -26.924 10.227 1.00 22.74 ? 182 ASP A N 1 ATOM 1442 C CA . ASP A 1 182 ? -22.465 -26.442 8.928 1.00 22.89 ? 182 ASP A CA 1 ATOM 1443 C C . ASP A 1 182 ? -21.312 -27.269 8.346 1.00 22.13 ? 182 ASP A C 1 ATOM 1444 O O . ASP A 1 182 ? -21.263 -27.545 7.141 1.00 22.16 ? 182 ASP A O 1 ATOM 1445 C CB . ASP A 1 182 ? -22.036 -24.990 8.999 1.00 23.82 ? 182 ASP A CB 1 ATOM 1446 C CG . ASP A 1 182 ? -23.183 -24.055 9.024 1.00 29.93 ? 182 ASP A CG 1 ATOM 1447 O OD1 . ASP A 1 182 ? -24.375 -24.508 8.862 1.00 30.65 ? 182 ASP A OD1 1 ATOM 1448 O OD2 . ASP A 1 182 ? -22.891 -22.852 9.211 1.00 27.70 ? 182 ASP A OD2 1 ATOM 1449 N N . LEU A 1 183 ? -20.359 -27.652 9.201 1.00 21.32 ? 183 LEU A N 1 ATOM 1450 C CA . LEU A 1 183 ? -19.168 -28.386 8.755 1.00 20.94 ? 183 LEU A CA 1 ATOM 1451 C C . LEU A 1 183 ? -19.533 -29.767 8.250 1.00 21.19 ? 183 LEU A C 1 ATOM 1452 O O . LEU A 1 183 ? -18.926 -30.242 7.321 1.00 21.92 ? 183 LEU A O 1 ATOM 1453 C CB . LEU A 1 183 ? -18.143 -28.496 9.920 1.00 21.01 ? 183 LEU A CB 1 ATOM 1454 C CG . LEU A 1 183 ? -17.611 -27.141 10.337 1.00 17.37 ? 183 LEU A CG 1 ATOM 1455 C CD1 . LEU A 1 183 ? -17.134 -27.101 11.832 1.00 21.03 ? 183 LEU A CD1 1 ATOM 1456 C CD2 . LEU A 1 183 ? -16.491 -26.666 9.330 1.00 21.21 ? 183 LEU A CD2 1 ATOM 1457 N N . GLU A 1 184 ? -20.543 -30.407 8.829 1.00 18.90 ? 184 GLU A N 1 ATOM 1458 C CA . GLU A 1 184 ? -20.956 -31.721 8.368 1.00 19.02 ? 184 GLU A CA 1 ATOM 1459 C C . GLU A 1 184 ? -22.166 -31.728 7.430 1.00 17.81 ? 184 GLU A C 1 ATOM 1460 O O . GLU A 1 184 ? -22.803 -32.778 7.175 1.00 15.63 ? 184 GLU A O 1 ATOM 1461 C CB . GLU A 1 184 ? -21.268 -32.597 9.579 1.00 21.01 ? 184 GLU A CB 1 ATOM 1462 C CG . GLU A 1 184 ? -20.080 -32.623 10.502 1.00 23.30 ? 184 GLU A CG 1 ATOM 1463 C CD . GLU A 1 184 ? -20.321 -33.568 11.674 1.00 31.33 ? 184 GLU A CD 1 ATOM 1464 O OE1 . GLU A 1 184 ? -21.492 -33.791 12.043 1.00 33.06 ? 184 GLU A OE1 1 ATOM 1465 O OE2 . GLU A 1 184 ? -19.333 -34.097 12.219 1.00 36.36 ? 184 GLU A OE2 1 ATOM 1466 N N . LYS A 1 185 ? -22.509 -30.566 6.907 1.00 17.89 ? 185 LYS A N 1 ATOM 1467 C CA . LYS A 1 185 ? -23.615 -30.498 5.931 1.00 19.55 ? 185 LYS A CA 1 ATOM 1468 C C . LYS A 1 185 ? -23.409 -31.379 4.663 1.00 19.98 ? 185 LYS A C 1 ATOM 1469 O O . LYS A 1 185 ? -22.265 -31.644 4.281 1.00 20.33 ? 185 LYS A O 1 ATOM 1470 C CB . LYS A 1 185 ? -23.853 -29.026 5.587 1.00 19.33 ? 185 LYS A CB 1 ATOM 1471 C CG . LYS A 1 185 ? -22.837 -28.401 4.636 1.00 23.72 ? 185 LYS A CG 1 ATOM 1472 C CD . LYS A 1 185 ? -23.416 -27.108 4.030 1.00 25.08 ? 185 LYS A CD 1 ATOM 1473 C CE . LYS A 1 185 ? -22.548 -26.620 2.844 1.00 27.29 ? 185 LYS A CE 1 ATOM 1474 N NZ . LYS A 1 185 ? -22.993 -25.331 2.251 1.00 25.54 ? 185 LYS A NZ 1 ATOM 1475 N N . GLN A 1 186 ? -24.510 -31.841 4.024 1.00 19.65 ? 186 GLN A N 1 ATOM 1476 C CA . GLN A 1 186 ? -24.467 -32.698 2.850 1.00 18.58 ? 186 GLN A CA 1 ATOM 1477 C C . GLN A 1 186 ? -25.395 -31.999 1.861 1.00 19.77 ? 186 GLN A C 1 ATOM 1478 O O . GLN A 1 186 ? -26.603 -31.796 2.146 1.00 17.40 ? 186 GLN A O 1 ATOM 1479 C CB . GLN A 1 186 ? -25.063 -34.102 3.118 1.00 18.58 ? 186 GLN A CB 1 ATOM 1480 C CG . GLN A 1 186 ? -24.179 -35.024 4.016 1.00 20.09 ? 186 GLN A CG 1 ATOM 1481 C CD . GLN A 1 186 ? -22.851 -35.381 3.360 1.00 21.01 ? 186 GLN A CD 1 ATOM 1482 O OE1 . GLN A 1 186 ? -22.768 -35.567 2.128 1.00 20.69 ? 186 GLN A OE1 1 ATOM 1483 N NE2 . GLN A 1 186 ? -21.797 -35.462 4.168 1.00 19.15 ? 186 GLN A NE2 1 ATOM 1484 N N . GLU A 1 187 ? -24.843 -31.571 0.744 1.00 17.67 ? 187 GLU A N 1 ATOM 1485 C CA . GLU A 1 187 ? -25.675 -31.005 -0.311 1.00 17.35 ? 187 GLU A CA 1 ATOM 1486 C C . GLU A 1 187 ? -25.468 -31.857 -1.572 1.00 17.14 ? 187 GLU A C 1 ATOM 1487 O O . GLU A 1 187 ? -24.354 -32.215 -1.913 1.00 15.24 ? 187 GLU A O 1 ATOM 1488 C CB . GLU A 1 187 ? -25.200 -29.609 -0.625 1.00 19.21 ? 187 GLU A CB 1 ATOM 1489 C CG . GLU A 1 187 ? -25.337 -28.589 0.555 1.00 17.80 ? 187 GLU A CG 1 ATOM 1490 C CD . GLU A 1 187 ? -26.780 -28.302 1.000 1.00 27.44 ? 187 GLU A CD 1 ATOM 1491 O OE1 . GLU A 1 187 ? -26.929 -27.887 2.132 1.00 30.78 ? 187 GLU A OE1 1 ATOM 1492 O OE2 . GLU A 1 187 ? -27.758 -28.474 0.267 1.00 27.41 ? 187 GLU A OE2 1 ATOM 1493 N N . LYS A 1 188 ? -26.564 -32.174 -2.262 1.00 18.80 ? 188 LYS A N 1 ATOM 1494 C CA . LYS A 1 188 ? -26.542 -33.086 -3.430 1.00 18.67 ? 188 LYS A CA 1 ATOM 1495 C C . LYS A 1 188 ? -26.198 -32.424 -4.716 1.00 20.72 ? 188 LYS A C 1 ATOM 1496 O O . LYS A 1 188 ? -26.695 -31.389 -5.028 1.00 23.17 ? 188 LYS A O 1 ATOM 1497 C CB . LYS A 1 188 ? -27.938 -33.717 -3.627 1.00 18.69 ? 188 LYS A CB 1 ATOM 1498 C CG . LYS A 1 188 ? -28.454 -34.434 -2.351 1.00 20.77 ? 188 LYS A CG 1 ATOM 1499 C CD . LYS A 1 188 ? -29.793 -35.185 -2.673 1.00 24.13 ? 188 LYS A CD 1 ATOM 1500 C CE . LYS A 1 188 ? -30.365 -35.925 -1.395 1.00 25.13 ? 188 LYS A CE 1 ATOM 1501 N NZ . LYS A 1 188 ? -31.708 -36.547 -1.577 1.00 28.98 ? 188 LYS A NZ 1 ATOM 1502 N N . PRO A 1 189 ? -25.349 -33.035 -5.482 1.00 21.02 ? 189 PRO A N 1 ATOM 1503 C CA . PRO A 1 189 ? -25.049 -32.541 -6.808 1.00 23.38 ? 189 PRO A CA 1 ATOM 1504 C C . PRO A 1 189 ? -26.235 -32.686 -7.783 1.00 23.26 ? 189 PRO A C 1 ATOM 1505 O O . PRO A 1 189 ? -27.064 -33.628 -7.609 1.00 22.39 ? 189 PRO A O 1 ATOM 1506 C CB . PRO A 1 189 ? -23.924 -33.451 -7.257 1.00 22.46 ? 189 PRO A CB 1 ATOM 1507 C CG . PRO A 1 189 ? -24.081 -34.635 -6.552 1.00 23.57 ? 189 PRO A CG 1 ATOM 1508 C CD . PRO A 1 189 ? -24.705 -34.308 -5.200 1.00 22.08 ? 189 PRO A CD 1 ATOM 1509 N N . VAL A 1 190 ? -26.322 -31.757 -8.757 1.00 23.67 ? 190 VAL A N 1 ATOM 1510 C CA . VAL A 1 190 ? -27.117 -31.978 -10.002 1.00 23.99 ? 190 VAL A CA 1 ATOM 1511 C C . VAL A 1 190 ? -26.107 -32.120 -11.117 1.00 21.59 ? 190 VAL A C 1 ATOM 1512 O O . VAL A 1 190 ? -25.064 -31.514 -11.062 1.00 22.94 ? 190 VAL A O 1 ATOM 1513 C CB . VAL A 1 190 ? -27.958 -30.735 -10.241 1.00 22.63 ? 190 VAL A CB 1 ATOM 1514 C CG1 . VAL A 1 190 ? -29.045 -30.898 -11.327 1.00 21.99 ? 190 VAL A CG1 1 ATOM 1515 C CG2 . VAL A 1 190 ? -28.643 -30.430 -8.930 1.00 30.89 ? 190 VAL A CG2 1 ATOM 1516 N N . ALA A 1 191 ? -26.400 -32.878 -12.146 1.00 20.06 ? 191 ALA A N 1 ATOM 1517 C CA . ALA A 1 191 ? -25.421 -33.090 -13.250 1.00 17.50 ? 191 ALA A CA 1 ATOM 1518 C C . ALA A 1 191 ? -26.168 -32.841 -14.548 1.00 15.90 ? 191 ALA A C 1 ATOM 1519 O O . ALA A 1 191 ? -27.421 -33.022 -14.603 1.00 16.81 ? 191 ALA A O 1 ATOM 1520 C CB . ALA A 1 191 ? -24.929 -34.584 -13.280 1.00 19.17 ? 191 ALA A CB 1 ATOM 1521 N N . TRP A 1 192 ? -25.423 -32.512 -15.599 1.00 16.16 ? 192 TRP A N 1 ATOM 1522 C CA . TRP A 1 192 ? -26.016 -32.327 -16.958 1.00 17.81 ? 192 TRP A CA 1 ATOM 1523 C C . TRP A 1 192 ? -24.887 -32.477 -17.991 1.00 19.22 ? 192 TRP A C 1 ATOM 1524 O O . TRP A 1 192 ? -23.688 -32.320 -17.648 1.00 17.40 ? 192 TRP A O 1 ATOM 1525 C CB . TRP A 1 192 ? -26.693 -30.904 -17.101 1.00 17.02 ? 192 TRP A CB 1 ATOM 1526 C CG . TRP A 1 192 ? -25.778 -29.670 -17.104 1.00 19.11 ? 192 TRP A CG 1 ATOM 1527 C CD1 . TRP A 1 192 ? -25.287 -28.994 -18.181 1.00 19.86 ? 192 TRP A CD1 1 ATOM 1528 C CD2 . TRP A 1 192 ? -25.359 -28.912 -15.938 1.00 19.48 ? 192 TRP A CD2 1 ATOM 1529 N NE1 . TRP A 1 192 ? -24.537 -27.910 -17.763 1.00 17.37 ? 192 TRP A NE1 1 ATOM 1530 C CE2 . TRP A 1 192 ? -24.566 -27.844 -16.398 1.00 18.49 ? 192 TRP A CE2 1 ATOM 1531 C CE3 . TRP A 1 192 ? -25.558 -29.084 -14.560 1.00 18.67 ? 192 TRP A CE3 1 ATOM 1532 C CZ2 . TRP A 1 192 ? -24.010 -26.899 -15.540 1.00 17.34 ? 192 TRP A CZ2 1 ATOM 1533 C CZ3 . TRP A 1 192 ? -24.966 -28.202 -13.693 1.00 18.02 ? 192 TRP A CZ3 1 ATOM 1534 C CH2 . TRP A 1 192 ? -24.217 -27.084 -14.196 1.00 18.19 ? 192 TRP A CH2 1 ATOM 1535 N N . LEU A 1 193 ? -25.268 -32.894 -19.215 1.00 18.83 ? 193 LEU A N 1 ATOM 1536 C CA . LEU A 1 193 ? -24.309 -33.184 -20.274 1.00 22.02 ? 193 LEU A CA 1 ATOM 1537 C C . LEU A 1 193 ? -24.311 -32.138 -21.338 1.00 21.15 ? 193 LEU A C 1 ATOM 1538 O O . LEU A 1 193 ? -25.300 -31.472 -21.554 1.00 21.40 ? 193 LEU A O 1 ATOM 1539 C CB . LEU A 1 193 ? -24.619 -34.534 -20.928 1.00 20.74 ? 193 LEU A CB 1 ATOM 1540 C CG . LEU A 1 193 ? -24.834 -35.688 -19.933 1.00 22.60 ? 193 LEU A CG 1 ATOM 1541 C CD1 . LEU A 1 193 ? -24.975 -36.933 -20.784 1.00 21.88 ? 193 LEU A CD1 1 ATOM 1542 C CD2 . LEU A 1 193 ? -23.671 -35.779 -18.947 1.00 22.30 ? 193 LEU A CD2 1 ATOM 1543 N N . SER A 1 194 ? -23.186 -31.955 -21.998 1.00 22.75 ? 194 SER A N 1 ATOM 1544 C CA . SER A 1 194 ? -23.181 -31.149 -23.186 1.00 23.13 ? 194 SER A CA 1 ATOM 1545 C C . SER A 1 194 ? -22.051 -31.613 -24.085 1.00 24.38 ? 194 SER A C 1 ATOM 1546 O O . SER A 1 194 ? -21.244 -32.489 -23.727 1.00 24.66 ? 194 SER A O 1 ATOM 1547 C CB . SER A 1 194 ? -22.927 -29.675 -22.845 1.00 23.57 ? 194 SER A CB 1 ATOM 1548 O OG . SER A 1 194 ? -21.630 -29.508 -22.290 1.00 23.36 ? 194 SER A OG 1 ATOM 1549 N N . SER A 1 195 ? -21.964 -31.011 -25.253 1.00 25.87 ? 195 SER A N 1 ATOM 1550 C CA . SER A 1 195 ? -20.744 -31.131 -26.025 1.00 26.57 ? 195 SER A CA 1 ATOM 1551 C C . SER A 1 195 ? -20.662 -29.936 -26.930 1.00 26.44 ? 195 SER A C 1 ATOM 1552 O O . SER A 1 195 ? -21.616 -29.690 -27.663 1.00 26.02 ? 195 SER A O 1 ATOM 1553 C CB . SER A 1 195 ? -20.766 -32.401 -26.847 1.00 27.52 ? 195 SER A CB 1 ATOM 1554 O OG . SER A 1 195 ? -21.701 -32.233 -27.880 1.00 28.99 ? 195 SER A OG 1 ATOM 1555 N N . HIS A 1 203 ? -14.415 -36.739 -34.400 1.00 40.60 ? 203 HIS A N 1 ATOM 1556 C CA . HIS A 1 203 ? -14.379 -36.893 -32.952 1.00 40.80 ? 203 HIS A CA 1 ATOM 1557 C C . HIS A 1 203 ? -14.935 -35.668 -32.207 1.00 40.12 ? 203 HIS A C 1 ATOM 1558 O O . HIS A 1 203 ? -14.887 -34.537 -32.704 1.00 40.20 ? 203 HIS A O 1 ATOM 1559 C CB . HIS A 1 203 ? -12.943 -37.228 -32.476 1.00 41.45 ? 203 HIS A CB 1 ATOM 1560 C CG . HIS A 1 203 ? -12.240 -36.100 -31.763 1.00 44.31 ? 203 HIS A CG 1 ATOM 1561 N ND1 . HIS A 1 203 ? -11.096 -35.500 -32.252 1.00 47.01 ? 203 HIS A ND1 1 ATOM 1562 C CD2 . HIS A 1 203 ? -12.510 -35.479 -30.585 1.00 47.36 ? 203 HIS A CD2 1 ATOM 1563 C CE1 . HIS A 1 203 ? -10.696 -34.556 -31.412 1.00 46.89 ? 203 HIS A CE1 1 ATOM 1564 N NE2 . HIS A 1 203 ? -11.539 -34.521 -30.393 1.00 47.92 ? 203 HIS A NE2 1 ATOM 1565 N N . ARG A 1 204 ? -15.461 -35.890 -31.000 1.00 38.34 ? 204 ARG A N 1 ATOM 1566 C CA . ARG A 1 204 ? -15.740 -34.769 -30.120 1.00 37.29 ? 204 ARG A CA 1 ATOM 1567 C C . ARG A 1 204 ? -15.602 -35.036 -28.619 1.00 35.09 ? 204 ARG A C 1 ATOM 1568 O O . ARG A 1 204 ? -15.262 -36.135 -28.160 1.00 34.16 ? 204 ARG A O 1 ATOM 1569 C CB . ARG A 1 204 ? -17.085 -34.100 -30.432 1.00 37.77 ? 204 ARG A CB 1 ATOM 1570 C CG . ARG A 1 204 ? -18.272 -35.040 -30.467 1.00 39.91 ? 204 ARG A CG 1 ATOM 1571 C CD . ARG A 1 204 ? -19.468 -34.182 -30.662 1.00 43.20 ? 204 ARG A CD 1 ATOM 1572 N NE . ARG A 1 204 ? -20.674 -34.946 -30.875 1.00 45.96 ? 204 ARG A NE 1 ATOM 1573 C CZ . ARG A 1 204 ? -21.881 -34.492 -30.567 1.00 48.43 ? 204 ARG A CZ 1 ATOM 1574 N NH1 . ARG A 1 204 ? -21.997 -33.286 -30.026 1.00 50.63 ? 204 ARG A NH1 1 ATOM 1575 N NH2 . ARG A 1 204 ? -22.967 -35.232 -30.791 1.00 50.46 ? 204 ARG A NH2 1 ATOM 1576 N N . GLN A 1 205 ? -15.854 -33.988 -27.867 1.00 33.17 ? 205 GLN A N 1 ATOM 1577 C CA . GLN A 1 205 ? -15.494 -33.985 -26.487 1.00 31.72 ? 205 GLN A CA 1 ATOM 1578 C C . GLN A 1 205 ? -16.797 -33.939 -25.688 1.00 29.84 ? 205 GLN A C 1 ATOM 1579 O O . GLN A 1 205 ? -17.529 -32.951 -25.753 1.00 30.56 ? 205 GLN A O 1 ATOM 1580 C CB . GLN A 1 205 ? -14.591 -32.769 -26.260 1.00 32.20 ? 205 GLN A CB 1 ATOM 1581 C CG . GLN A 1 205 ? -14.084 -32.578 -24.876 1.00 35.18 ? 205 GLN A CG 1 ATOM 1582 C CD . GLN A 1 205 ? -13.905 -31.101 -24.576 1.00 39.52 ? 205 GLN A CD 1 ATOM 1583 O OE1 . GLN A 1 205 ? -14.472 -30.251 -25.272 1.00 42.83 ? 205 GLN A OE1 1 ATOM 1584 N NE2 . GLN A 1 205 ? -13.121 -30.788 -23.563 1.00 37.26 ? 205 GLN A NE2 1 ATOM 1585 N N . LEU A 1 206 ? -17.125 -35.017 -24.975 1.00 26.98 ? 206 LEU A N 1 ATOM 1586 C CA . LEU A 1 206 ? -18.325 -34.998 -24.158 1.00 25.33 ? 206 LEU A CA 1 ATOM 1587 C C . LEU A 1 206 ? -17.981 -34.371 -22.789 1.00 23.99 ? 206 LEU A C 1 ATOM 1588 O O . LEU A 1 206 ? -16.895 -34.611 -22.240 1.00 23.49 ? 206 LEU A O 1 ATOM 1589 C CB . LEU A 1 206 ? -18.962 -36.390 -23.973 1.00 24.07 ? 206 LEU A CB 1 ATOM 1590 C CG . LEU A 1 206 ? -19.262 -37.236 -25.218 1.00 26.18 ? 206 LEU A CG 1 ATOM 1591 C CD1 . LEU A 1 206 ? -19.891 -38.609 -24.855 1.00 23.53 ? 206 LEU A CD1 1 ATOM 1592 C CD2 . LEU A 1 206 ? -20.158 -36.504 -26.212 1.00 26.15 ? 206 LEU A CD2 1 ATOM 1593 N N . VAL A 1 207 ? -18.893 -33.546 -22.281 1.00 23.48 ? 207 VAL A N 1 ATOM 1594 C CA . VAL A 1 207 ? -18.694 -32.893 -20.955 1.00 21.08 ? 207 VAL A CA 1 ATOM 1595 C C . VAL A 1 207 ? -19.790 -33.259 -19.942 1.00 21.23 ? 207 VAL A C 1 ATOM 1596 O O . VAL A 1 207 ? -20.988 -33.071 -20.208 1.00 20.97 ? 207 VAL A O 1 ATOM 1597 C CB . VAL A 1 207 ? -18.613 -31.353 -21.062 1.00 21.12 ? 207 VAL A CB 1 ATOM 1598 C CG1 . VAL A 1 207 ? -18.208 -30.778 -19.717 1.00 19.09 ? 207 VAL A CG1 1 ATOM 1599 C CG2 . VAL A 1 207 ? -17.616 -30.921 -22.138 1.00 21.02 ? 207 VAL A CG2 1 ATOM 1600 N N . CYS A 1 208 ? -19.394 -33.742 -18.764 1.00 18.85 ? 208 CYS A N 1 ATOM 1601 C CA . CYS A 1 208 ? -20.355 -33.978 -17.710 1.00 20.58 ? 208 CYS A CA 1 ATOM 1602 C C . CYS A 1 208 ? -20.123 -32.862 -16.644 1.00 20.93 ? 208 CYS A C 1 ATOM 1603 O O . CYS A 1 208 ? -19.027 -32.777 -16.060 1.00 21.91 ? 208 CYS A O 1 ATOM 1604 C CB . CYS A 1 208 ? -20.122 -35.388 -17.117 1.00 22.38 ? 208 CYS A CB 1 ATOM 1605 S SG . CYS A 1 208 ? -21.223 -35.777 -15.730 1.00 24.80 ? 208 CYS A SG 1 ATOM 1606 N N . HIS A 1 209 ? -21.128 -32.048 -16.384 1.00 19.51 ? 209 HIS A N 1 ATOM 1607 C CA . HIS A 1 209 ? -20.999 -30.895 -15.432 1.00 19.10 ? 209 HIS A CA 1 ATOM 1608 C C . HIS A 1 209 ? -21.695 -31.401 -14.163 1.00 20.40 ? 209 HIS A C 1 ATOM 1609 O O . HIS A 1 209 ? -22.809 -31.878 -14.260 1.00 18.77 ? 209 HIS A O 1 ATOM 1610 C CB . HIS A 1 209 ? -21.817 -29.743 -16.012 1.00 19.20 ? 209 HIS A CB 1 ATOM 1611 C CG . HIS A 1 209 ? -21.387 -29.326 -17.401 1.00 19.68 ? 209 HIS A CG 1 ATOM 1612 N ND1 . HIS A 1 209 ? -20.496 -28.298 -17.650 1.00 22.83 ? 209 HIS A ND1 1 ATOM 1613 C CD2 . HIS A 1 209 ? -21.756 -29.793 -18.609 1.00 17.17 ? 209 HIS A CD2 1 ATOM 1614 C CE1 . HIS A 1 209 ? -20.349 -28.140 -18.963 1.00 18.75 ? 209 HIS A CE1 1 ATOM 1615 N NE2 . HIS A 1 209 ? -21.113 -29.032 -19.565 1.00 20.76 ? 209 HIS A NE2 1 ATOM 1616 N N . VAL A 1 210 ? -21.079 -31.246 -12.996 1.00 17.82 ? 210 VAL A N 1 ATOM 1617 C CA . VAL A 1 210 ? -21.663 -31.645 -11.742 1.00 18.60 ? 210 VAL A CA 1 ATOM 1618 C C . VAL A 1 210 ? -21.602 -30.408 -10.777 1.00 16.99 ? 210 VAL A C 1 ATOM 1619 O O . VAL A 1 210 ? -20.516 -29.895 -10.499 1.00 17.42 ? 210 VAL A O 1 ATOM 1620 C CB . VAL A 1 210 ? -20.827 -32.802 -11.112 1.00 20.39 ? 210 VAL A CB 1 ATOM 1621 C CG1 . VAL A 1 210 ? -21.560 -33.478 -9.932 1.00 17.87 ? 210 VAL A CG1 1 ATOM 1622 C CG2 . VAL A 1 210 ? -20.646 -33.933 -12.177 1.00 17.98 ? 210 VAL A CG2 1 ATOM 1623 N N . SER A 1 211 ? -22.719 -29.978 -10.234 1.00 16.67 ? 211 SER A N 1 ATOM 1624 C CA . SER A 1 211 ? -22.656 -28.694 -9.494 1.00 16.52 ? 211 SER A CA 1 ATOM 1625 C C . SER A 1 211 ? -23.509 -28.823 -8.218 1.00 16.54 ? 211 SER A C 1 ATOM 1626 O O . SER A 1 211 ? -24.575 -29.445 -8.275 1.00 17.02 ? 211 SER A O 1 ATOM 1627 C CB . SER A 1 211 ? -23.203 -27.590 -10.386 1.00 16.69 ? 211 SER A CB 1 ATOM 1628 O OG . SER A 1 211 ? -23.068 -26.335 -9.733 1.00 17.94 ? 211 SER A OG 1 ATOM 1629 N N . GLY A 1 212 ? -23.123 -28.074 -7.156 1.00 15.54 ? 212 GLY A N 1 ATOM 1630 C CA . GLY A 1 212 ? -23.958 -27.952 -5.969 1.00 17.28 ? 212 GLY A CA 1 ATOM 1631 C C . GLY A 1 212 ? -23.657 -29.028 -4.913 1.00 16.78 ? 212 GLY A C 1 ATOM 1632 O O . GLY A 1 212 ? -24.421 -29.179 -3.938 1.00 16.99 ? 212 GLY A O 1 ATOM 1633 N N . PHE A 1 213 ? -22.587 -29.814 -5.078 1.00 17.54 ? 213 PHE A N 1 ATOM 1634 C CA . PHE A 1 213 ? -22.256 -30.748 -4.024 1.00 17.62 ? 213 PHE A CA 1 ATOM 1635 C C . PHE A 1 213 ? -21.411 -30.183 -2.890 1.00 15.59 ? 213 PHE A C 1 ATOM 1636 O O . PHE A 1 213 ? -20.550 -29.310 -3.067 1.00 17.97 ? 213 PHE A O 1 ATOM 1637 C CB . PHE A 1 213 ? -21.562 -32.061 -4.553 1.00 17.63 ? 213 PHE A CB 1 ATOM 1638 C CG . PHE A 1 213 ? -20.237 -31.816 -5.369 1.00 20.96 ? 213 PHE A CG 1 ATOM 1639 C CD1 . PHE A 1 213 ? -20.266 -31.403 -6.731 1.00 20.79 ? 213 PHE A CD1 1 ATOM 1640 C CD2 . PHE A 1 213 ? -18.981 -32.010 -4.767 1.00 20.65 ? 213 PHE A CD2 1 ATOM 1641 C CE1 . PHE A 1 213 ? -19.080 -31.196 -7.475 1.00 21.47 ? 213 PHE A CE1 1 ATOM 1642 C CE2 . PHE A 1 213 ? -17.766 -31.797 -5.511 1.00 15.26 ? 213 PHE A CE2 1 ATOM 1643 C CZ . PHE A 1 213 ? -17.808 -31.387 -6.857 1.00 18.58 ? 213 PHE A CZ 1 ATOM 1644 N N . TYR A 1 214 ? -21.639 -30.758 -1.724 1.00 17.49 ? 214 TYR A N 1 ATOM 1645 C CA . TYR A 1 214 ? -20.816 -30.544 -0.516 1.00 15.96 ? 214 TYR A CA 1 ATOM 1646 C C . TYR A 1 214 ? -21.008 -31.697 0.432 1.00 15.86 ? 214 TYR A C 1 ATOM 1647 O O . TYR A 1 214 ? -22.131 -32.124 0.644 1.00 16.24 ? 214 TYR A O 1 ATOM 1648 C CB . TYR A 1 214 ? -21.317 -29.275 0.163 1.00 16.69 ? 214 TYR A CB 1 ATOM 1649 C CG . TYR A 1 214 ? -20.297 -28.836 1.187 1.00 18.30 ? 214 TYR A CG 1 ATOM 1650 C CD1 . TYR A 1 214 ? -20.251 -29.423 2.457 1.00 17.42 ? 214 TYR A CD1 1 ATOM 1651 C CD2 . TYR A 1 214 ? -19.323 -27.929 0.816 1.00 16.42 ? 214 TYR A CD2 1 ATOM 1652 C CE1 . TYR A 1 214 ? -19.306 -29.021 3.417 1.00 16.72 ? 214 TYR A CE1 1 ATOM 1653 C CE2 . TYR A 1 214 ? -18.317 -27.518 1.730 1.00 15.37 ? 214 TYR A CE2 1 ATOM 1654 C CZ . TYR A 1 214 ? -18.318 -28.061 3.012 1.00 19.01 ? 214 TYR A CZ 1 ATOM 1655 O OH . TYR A 1 214 ? -17.330 -27.697 3.869 1.00 17.61 ? 214 TYR A OH 1 ATOM 1656 N N . PRO A 1 215 ? -19.919 -32.179 1.079 1.00 16.15 ? 215 PRO A N 1 ATOM 1657 C CA . PRO A 1 215 ? -18.579 -31.650 0.946 1.00 15.40 ? 215 PRO A CA 1 ATOM 1658 C C . PRO A 1 215 ? -17.834 -32.004 -0.375 1.00 16.06 ? 215 PRO A C 1 ATOM 1659 O O . PRO A 1 215 ? -18.412 -32.577 -1.303 1.00 17.23 ? 215 PRO A O 1 ATOM 1660 C CB . PRO A 1 215 ? -17.843 -32.238 2.183 1.00 13.69 ? 215 PRO A CB 1 ATOM 1661 C CG . PRO A 1 215 ? -18.545 -33.562 2.430 1.00 16.29 ? 215 PRO A CG 1 ATOM 1662 C CD . PRO A 1 215 ? -20.000 -33.341 1.976 1.00 14.79 ? 215 PRO A CD 1 ATOM 1663 N N . LYS A 1 216 ? -16.579 -31.588 -0.442 1.00 17.08 ? 216 LYS A N 1 ATOM 1664 C CA . LYS A 1 216 ? -15.770 -31.608 -1.686 1.00 19.14 ? 216 LYS A CA 1 ATOM 1665 C C . LYS A 1 216 ? -15.505 -33.018 -2.254 1.00 19.26 ? 216 LYS A C 1 ATOM 1666 O O . LYS A 1 216 ? -15.571 -33.231 -3.469 1.00 21.45 ? 216 LYS A O 1 ATOM 1667 C CB . LYS A 1 216 ? -14.442 -30.831 -1.456 1.00 18.20 ? 216 LYS A CB 1 ATOM 1668 C CG . LYS A 1 216 ? -13.815 -30.357 -2.776 1.00 17.12 ? 216 LYS A CG 1 ATOM 1669 C CD . LYS A 1 216 ? -12.581 -29.509 -2.459 1.00 20.56 ? 216 LYS A CD 1 ATOM 1670 C CE . LYS A 1 216 ? -12.089 -28.843 -3.785 1.00 21.16 ? 216 LYS A CE 1 ATOM 1671 N NZ . LYS A 1 216 ? -10.918 -27.941 -3.444 1.00 21.74 ? 216 LYS A NZ 1 ATOM 1672 N N . PRO A 1 217 ? -15.250 -34.001 -1.408 1.00 19.65 ? 217 PRO A N 1 ATOM 1673 C CA . PRO A 1 217 ? -14.898 -35.251 -2.121 1.00 18.73 ? 217 PRO A CA 1 ATOM 1674 C C . PRO A 1 217 ? -16.056 -35.780 -2.986 1.00 19.38 ? 217 PRO A C 1 ATOM 1675 O O . PRO A 1 217 ? -17.180 -35.874 -2.503 1.00 17.17 ? 217 PRO A O 1 ATOM 1676 C CB . PRO A 1 217 ? -14.673 -36.264 -0.981 1.00 19.01 ? 217 PRO A CB 1 ATOM 1677 C CG . PRO A 1 217 ? -14.210 -35.418 0.217 1.00 20.62 ? 217 PRO A CG 1 ATOM 1678 C CD . PRO A 1 217 ? -15.056 -34.082 0.055 1.00 18.00 ? 217 PRO A CD 1 ATOM 1679 N N . VAL A 1 218 ? -15.772 -36.204 -4.219 1.00 17.32 ? 218 VAL A N 1 ATOM 1680 C CA . VAL A 1 218 ? -16.845 -36.634 -5.161 1.00 19.33 ? 218 VAL A CA 1 ATOM 1681 C C . VAL A 1 218 ? -16.183 -37.609 -6.155 1.00 18.90 ? 218 VAL A C 1 ATOM 1682 O O . VAL A 1 218 ? -14.936 -37.583 -6.303 1.00 20.53 ? 218 VAL A O 1 ATOM 1683 C CB . VAL A 1 218 ? -17.411 -35.422 -5.942 1.00 17.81 ? 218 VAL A CB 1 ATOM 1684 C CG1 . VAL A 1 218 ? -16.373 -34.878 -6.984 1.00 18.41 ? 218 VAL A CG1 1 ATOM 1685 C CG2 . VAL A 1 218 ? -18.688 -35.808 -6.719 1.00 18.03 ? 218 VAL A CG2 1 ATOM 1686 N N . TRP A 1 219 ? -16.947 -38.466 -6.810 1.00 17.31 ? 219 TRP A N 1 ATOM 1687 C CA . TRP A 1 219 ? -16.354 -39.290 -7.878 1.00 16.52 ? 219 TRP A CA 1 ATOM 1688 C C . TRP A 1 219 ? -17.195 -39.063 -9.127 1.00 18.04 ? 219 TRP A C 1 ATOM 1689 O O . TRP A 1 219 ? -18.417 -39.164 -9.051 1.00 17.47 ? 219 TRP A O 1 ATOM 1690 C CB . TRP A 1 219 ? -16.328 -40.721 -7.460 1.00 17.52 ? 219 TRP A CB 1 ATOM 1691 C CG . TRP A 1 219 ? -15.738 -41.723 -8.412 1.00 16.18 ? 219 TRP A CG 1 ATOM 1692 C CD1 . TRP A 1 219 ? -14.416 -42.109 -8.530 1.00 16.80 ? 219 TRP A CD1 1 ATOM 1693 C CD2 . TRP A 1 219 ? -16.477 -42.505 -9.336 1.00 18.40 ? 219 TRP A CD2 1 ATOM 1694 N NE1 . TRP A 1 219 ? -14.314 -43.129 -9.461 1.00 22.20 ? 219 TRP A NE1 1 ATOM 1695 C CE2 . TRP A 1 219 ? -15.561 -43.404 -9.959 1.00 19.67 ? 219 TRP A CE2 1 ATOM 1696 C CE3 . TRP A 1 219 ? -17.832 -42.574 -9.672 1.00 18.66 ? 219 TRP A CE3 1 ATOM 1697 C CZ2 . TRP A 1 219 ? -15.956 -44.319 -10.924 1.00 19.76 ? 219 TRP A CZ2 1 ATOM 1698 C CZ3 . TRP A 1 219 ? -18.241 -43.525 -10.638 1.00 24.39 ? 219 TRP A CZ3 1 ATOM 1699 C CH2 . TRP A 1 219 ? -17.277 -44.393 -11.242 1.00 21.40 ? 219 TRP A CH2 1 ATOM 1700 N N . VAL A 1 220 ? -16.555 -38.710 -10.262 1.00 17.37 ? 220 VAL A N 1 ATOM 1701 C CA . VAL A 1 220 ? -17.321 -38.430 -11.514 1.00 16.43 ? 220 VAL A CA 1 ATOM 1702 C C . VAL A 1 220 ? -16.633 -39.200 -12.649 1.00 16.59 ? 220 VAL A C 1 ATOM 1703 O O . VAL A 1 220 ? -15.435 -39.023 -12.854 1.00 17.99 ? 220 VAL A O 1 ATOM 1704 C CB . VAL A 1 220 ? -17.315 -36.936 -11.839 1.00 18.87 ? 220 VAL A CB 1 ATOM 1705 C CG1 . VAL A 1 220 ? -18.156 -36.664 -13.129 1.00 18.58 ? 220 VAL A CG1 1 ATOM 1706 C CG2 . VAL A 1 220 ? -17.918 -36.118 -10.634 1.00 17.62 ? 220 VAL A CG2 1 ATOM 1707 N N . MET A 1 221 ? -17.344 -40.025 -13.403 1.00 14.75 ? 221 MET A N 1 ATOM 1708 C CA . MET A 1 221 ? -16.687 -40.845 -14.411 1.00 17.19 ? 221 MET A CA 1 ATOM 1709 C C . MET A 1 221 ? -17.630 -41.156 -15.585 1.00 18.25 ? 221 MET A C 1 ATOM 1710 O O . MET A 1 221 ? -18.857 -41.315 -15.404 1.00 17.71 ? 221 MET A O 1 ATOM 1711 C CB . MET A 1 221 ? -16.317 -42.212 -13.769 1.00 16.84 ? 221 MET A CB 1 ATOM 1712 C CG . MET A 1 221 ? -15.388 -43.175 -14.574 1.00 16.46 ? 221 MET A CG 1 ATOM 1713 S SD . MET A 1 221 ? -13.817 -42.320 -14.922 1.00 24.46 ? 221 MET A SD 1 ATOM 1714 C CE . MET A 1 221 ? -13.124 -42.181 -13.294 1.00 20.92 ? 221 MET A CE 1 ATOM 1715 N N . TRP A 1 222 ? -17.043 -41.213 -16.782 1.00 16.50 ? 222 TRP A N 1 ATOM 1716 C CA . TRP A 1 222 ? -17.738 -41.674 -17.980 1.00 16.49 ? 222 TRP A CA 1 ATOM 1717 C C . TRP A 1 222 ? -17.640 -43.173 -18.010 1.00 16.50 ? 222 TRP A C 1 ATOM 1718 O O . TRP A 1 222 ? -16.592 -43.742 -17.739 1.00 19.09 ? 222 TRP A O 1 ATOM 1719 C CB . TRP A 1 222 ? -17.129 -41.056 -19.235 1.00 15.27 ? 222 TRP A CB 1 ATOM 1720 C CG . TRP A 1 222 ? -17.599 -39.547 -19.394 1.00 14.54 ? 222 TRP A CG 1 ATOM 1721 C CD1 . TRP A 1 222 ? -16.923 -38.418 -19.033 1.00 15.95 ? 222 TRP A CD1 1 ATOM 1722 C CD2 . TRP A 1 222 ? -18.799 -39.117 -20.045 1.00 14.67 ? 222 TRP A CD2 1 ATOM 1723 N NE1 . TRP A 1 222 ? -17.678 -37.275 -19.388 1.00 15.44 ? 222 TRP A NE1 1 ATOM 1724 C CE2 . TRP A 1 222 ? -18.817 -37.687 -20.019 1.00 18.04 ? 222 TRP A CE2 1 ATOM 1725 C CE3 . TRP A 1 222 ? -19.880 -39.791 -20.625 1.00 17.17 ? 222 TRP A CE3 1 ATOM 1726 C CZ2 . TRP A 1 222 ? -19.860 -36.944 -20.565 1.00 19.41 ? 222 TRP A CZ2 1 ATOM 1727 C CZ3 . TRP A 1 222 ? -20.942 -39.035 -21.185 1.00 15.68 ? 222 TRP A CZ3 1 ATOM 1728 C CH2 . TRP A 1 222 ? -20.909 -37.618 -21.148 1.00 19.71 ? 222 TRP A CH2 1 ATOM 1729 N N . MET A 1 223 ? -18.737 -43.800 -18.366 1.00 15.48 ? 223 MET A N 1 ATOM 1730 C CA . MET A 1 223 ? -18.941 -45.233 -18.170 1.00 16.88 ? 223 MET A CA 1 ATOM 1731 C C . MET A 1 223 ? -19.462 -45.759 -19.481 1.00 15.66 ? 223 MET A C 1 ATOM 1732 O O . MET A 1 223 ? -20.284 -45.071 -20.120 1.00 16.10 ? 223 MET A O 1 ATOM 1733 C CB . MET A 1 223 ? -20.091 -45.346 -17.138 1.00 16.93 ? 223 MET A CB 1 ATOM 1734 C CG . MET A 1 223 ? -19.758 -44.877 -15.797 1.00 19.17 ? 223 MET A CG 1 ATOM 1735 S SD . MET A 1 223 ? -18.239 -45.493 -15.131 1.00 26.92 ? 223 MET A SD 1 ATOM 1736 C CE . MET A 1 223 ? -18.883 -47.071 -14.577 1.00 25.34 ? 223 MET A CE 1 ATOM 1737 N N . ARG A 1 224 ? -19.043 -46.956 -19.924 1.00 14.51 ? 224 ARG A N 1 ATOM 1738 C CA . ARG A 1 224 ? -19.876 -47.612 -20.837 1.00 15.76 ? 224 ARG A CA 1 ATOM 1739 C C . ARG A 1 224 ? -20.348 -48.860 -20.084 1.00 16.03 ? 224 ARG A C 1 ATOM 1740 O O . ARG A 1 224 ? -19.567 -49.818 -19.940 1.00 13.31 ? 224 ARG A O 1 ATOM 1741 C CB . ARG A 1 224 ? -19.096 -48.046 -22.108 1.00 15.44 ? 224 ARG A CB 1 ATOM 1742 C CG . ARG A 1 224 ? -19.941 -48.913 -23.056 1.00 21.74 ? 224 ARG A CG 1 ATOM 1743 C CD . ARG A 1 224 ? -19.316 -49.030 -24.499 1.00 22.84 ? 224 ARG A CD 1 ATOM 1744 N NE . ARG A 1 224 ? -18.637 -47.780 -24.948 1.00 27.85 ? 224 ARG A NE 1 ATOM 1745 C CZ . ARG A 1 224 ? -19.231 -46.827 -25.668 1.00 29.30 ? 224 ARG A CZ 1 ATOM 1746 N NH1 . ARG A 1 224 ? -20.508 -46.982 -26.026 1.00 31.26 ? 224 ARG A NH1 1 ATOM 1747 N NH2 . ARG A 1 224 ? -18.575 -45.720 -26.023 1.00 27.64 ? 224 ARG A NH2 1 ATOM 1748 N N . GLY A 1 225 ? -21.576 -48.872 -19.560 1.00 15.77 ? 225 GLY A N 1 ATOM 1749 C CA . GLY A 1 225 ? -21.984 -50.132 -18.835 1.00 16.40 ? 225 GLY A CA 1 ATOM 1750 C C . GLY A 1 225 ? -21.198 -49.986 -17.535 1.00 17.00 ? 225 GLY A C 1 ATOM 1751 O O . GLY A 1 225 ? -21.081 -48.876 -16.972 1.00 15.96 ? 225 GLY A O 1 ATOM 1752 N N . ASP A 1 226 ? -20.656 -51.094 -17.054 1.00 17.28 ? 226 ASP A N 1 ATOM 1753 C CA . ASP A 1 226 ? -19.816 -51.147 -15.848 1.00 17.53 ? 226 ASP A CA 1 ATOM 1754 C C . ASP A 1 226 ? -18.385 -50.768 -16.073 1.00 17.87 ? 226 ASP A C 1 ATOM 1755 O O . ASP A 1 226 ? -17.603 -50.744 -15.123 1.00 18.18 ? 226 ASP A O 1 ATOM 1756 C CB . ASP A 1 226 ? -19.732 -52.608 -15.388 1.00 17.41 ? 226 ASP A CB 1 ATOM 1757 C CG . ASP A 1 226 ? -21.063 -53.144 -14.958 1.00 20.67 ? 226 ASP A CG 1 ATOM 1758 O OD1 . ASP A 1 226 ? -21.750 -52.439 -14.209 1.00 26.77 ? 226 ASP A OD1 1 ATOM 1759 O OD2 . ASP A 1 226 ? -21.423 -54.243 -15.351 1.00 23.05 ? 226 ASP A OD2 1 ATOM 1760 N N A GLN A 1 227 ? -18.002 -50.504 -17.315 0.50 18.03 ? 227 GLN A N 1 ATOM 1761 N N B GLN A 1 227 ? -18.024 -50.479 -17.319 0.50 18.01 ? 227 GLN A N 1 ATOM 1762 C CA A GLN A 1 227 ? -16.603 -50.177 -17.576 0.50 18.62 ? 227 GLN A CA 1 ATOM 1763 C CA B GLN A 1 227 ? -16.639 -50.139 -17.651 0.50 18.62 ? 227 GLN A CA 1 ATOM 1764 C C A GLN A 1 227 ? -16.328 -48.679 -17.549 0.50 19.15 ? 227 GLN A C 1 ATOM 1765 C C B GLN A 1 227 ? -16.343 -48.647 -17.551 0.50 19.15 ? 227 GLN A C 1 ATOM 1766 O O A GLN A 1 227 ? -16.892 -47.912 -18.341 0.50 18.98 ? 227 GLN A O 1 ATOM 1767 O O B GLN A 1 227 ? -16.892 -47.847 -18.320 0.50 19.02 ? 227 GLN A O 1 ATOM 1768 C CB A GLN A 1 227 ? -16.110 -50.796 -18.887 0.50 18.42 ? 227 GLN A CB 1 ATOM 1769 C CB B GLN A 1 227 ? -16.276 -50.629 -19.058 0.50 18.27 ? 227 GLN A CB 1 ATOM 1770 C CG A GLN A 1 227 ? -14.657 -50.440 -19.209 0.50 18.36 ? 227 GLN A CG 1 ATOM 1771 C CG B GLN A 1 227 ? -15.035 -49.933 -19.615 0.50 18.72 ? 227 GLN A CG 1 ATOM 1772 C CD A GLN A 1 227 ? -13.692 -50.830 -18.109 0.50 16.17 ? 227 GLN A CD 1 ATOM 1773 C CD B GLN A 1 227 ? -14.569 -50.496 -20.946 0.50 15.88 ? 227 GLN A CD 1 ATOM 1774 O OE1 A GLN A 1 227 ? -13.324 -51.984 -17.992 0.50 14.45 ? 227 GLN A OE1 1 ATOM 1775 O OE1 B GLN A 1 227 ? -15.024 -50.080 -22.012 0.50 14.44 ? 227 GLN A OE1 1 ATOM 1776 N NE2 A GLN A 1 227 ? -13.265 -49.860 -17.310 0.50 16.49 ? 227 GLN A NE2 1 ATOM 1777 N NE2 B GLN A 1 227 ? -13.629 -51.420 -20.888 0.50 17.73 ? 227 GLN A NE2 1 ATOM 1778 N N . GLU A 1 228 ? -15.459 -48.279 -16.621 1.00 19.65 ? 228 GLU A N 1 ATOM 1779 C CA . GLU A 1 228 ? -14.981 -46.919 -16.510 1.00 19.91 ? 228 GLU A CA 1 ATOM 1780 C C . GLU A 1 228 ? -14.221 -46.590 -17.773 1.00 19.89 ? 228 GLU A C 1 ATOM 1781 O O . GLU A 1 228 ? -13.378 -47.354 -18.201 1.00 18.98 ? 228 GLU A O 1 ATOM 1782 C CB . GLU A 1 228 ? -14.036 -46.807 -15.314 1.00 20.68 ? 228 GLU A CB 1 ATOM 1783 C CG . GLU A 1 228 ? -14.693 -47.180 -13.982 1.00 24.50 ? 228 GLU A CG 1 ATOM 1784 C CD . GLU A 1 228 ? -13.830 -46.890 -12.718 1.00 32.37 ? 228 GLU A CD 1 ATOM 1785 O OE1 . GLU A 1 228 ? -12.985 -45.952 -12.706 1.00 31.68 ? 228 GLU A OE1 1 ATOM 1786 O OE2 . GLU A 1 228 ? -14.028 -47.609 -11.699 1.00 35.22 ? 228 GLU A OE2 1 ATOM 1787 N N . GLN A 1 229 ? -14.474 -45.431 -18.353 1.00 20.85 ? 229 GLN A N 1 ATOM 1788 C CA . GLN A 1 229 ? -13.736 -44.991 -19.502 1.00 20.56 ? 229 GLN A CA 1 ATOM 1789 C C . GLN A 1 229 ? -12.494 -44.220 -19.092 1.00 22.24 ? 229 GLN A C 1 ATOM 1790 O O . GLN A 1 229 ? -12.552 -43.130 -18.445 1.00 21.25 ? 229 GLN A O 1 ATOM 1791 C CB . GLN A 1 229 ? -14.633 -44.167 -20.408 1.00 20.25 ? 229 GLN A CB 1 ATOM 1792 C CG . GLN A 1 229 ? -15.913 -44.907 -20.732 1.00 20.25 ? 229 GLN A CG 1 ATOM 1793 C CD . GLN A 1 229 ? -15.626 -46.216 -21.499 1.00 18.74 ? 229 GLN A CD 1 ATOM 1794 O OE1 . GLN A 1 229 ? -15.030 -46.182 -22.570 1.00 21.10 ? 229 GLN A OE1 1 ATOM 1795 N NE2 . GLN A 1 229 ? -16.029 -47.354 -20.944 1.00 16.59 ? 229 GLN A NE2 1 ATOM 1796 N N . GLN A 1 230 ? -11.365 -44.782 -19.519 1.00 23.59 ? 230 GLN A N 1 ATOM 1797 C CA . GLN A 1 230 ? -10.008 -44.337 -19.148 1.00 25.45 ? 230 GLN A CA 1 ATOM 1798 C C . GLN A 1 230 ? -9.690 -42.909 -19.516 1.00 24.96 ? 230 GLN A C 1 ATOM 1799 O O . GLN A 1 230 ? -9.086 -42.175 -18.746 1.00 26.21 ? 230 GLN A O 1 ATOM 1800 C CB . GLN A 1 230 ? -8.964 -45.250 -19.841 1.00 25.29 ? 230 GLN A CB 1 ATOM 1801 C CG . GLN A 1 230 ? -8.956 -46.663 -19.354 1.00 31.09 ? 230 GLN A CG 1 ATOM 1802 C CD . GLN A 1 230 ? -8.412 -46.762 -17.947 1.00 34.18 ? 230 GLN A CD 1 ATOM 1803 O OE1 . GLN A 1 230 ? -8.625 -45.876 -17.110 1.00 33.05 ? 230 GLN A OE1 1 ATOM 1804 N NE2 . GLN A 1 230 ? -7.695 -47.844 -17.679 1.00 33.82 ? 230 GLN A NE2 1 ATOM 1805 N N . GLY A 1 231 ? -10.072 -42.512 -20.716 1.00 25.37 ? 231 GLY A N 1 ATOM 1806 C CA . GLY A 1 231 ? -9.811 -41.160 -21.157 1.00 25.24 ? 231 GLY A CA 1 ATOM 1807 C C . GLY A 1 231 ? -10.553 -40.072 -20.409 1.00 25.56 ? 231 GLY A C 1 ATOM 1808 O O . GLY A 1 231 ? -10.458 -38.875 -20.803 1.00 26.58 ? 231 GLY A O 1 ATOM 1809 N N . THR A 1 232 ? -11.316 -40.431 -19.358 1.00 24.83 ? 232 THR A N 1 ATOM 1810 C CA . THR A 1 232 ? -11.977 -39.397 -18.537 1.00 23.15 ? 232 THR A CA 1 ATOM 1811 C C . THR A 1 232 ? -10.972 -38.396 -17.889 1.00 23.74 ? 232 THR A C 1 ATOM 1812 O O . THR A 1 232 ? -10.050 -38.787 -17.151 1.00 23.15 ? 232 THR A O 1 ATOM 1813 C CB . THR A 1 232 ? -12.900 -39.992 -17.443 1.00 22.67 ? 232 THR A CB 1 ATOM 1814 O OG1 . THR A 1 232 ? -13.930 -40.809 -18.040 1.00 18.98 ? 232 THR A OG1 1 ATOM 1815 C CG2 . THR A 1 232 ? -13.553 -38.866 -16.704 1.00 21.64 ? 232 THR A CG2 1 ATOM 1816 N N A HIS A 1 233 ? -11.156 -37.118 -18.201 0.50 23.37 ? 233 HIS A N 1 ATOM 1817 N N B HIS A 1 233 ? -11.147 -37.109 -18.151 0.50 23.51 ? 233 HIS A N 1 ATOM 1818 C CA A HIS A 1 233 ? -10.356 -36.067 -17.597 0.50 23.93 ? 233 HIS A CA 1 ATOM 1819 C CA B HIS A 1 233 ? -10.260 -36.131 -17.536 0.50 24.27 ? 233 HIS A CA 1 ATOM 1820 C C A HIS A 1 233 ? -11.243 -35.338 -16.612 0.50 24.19 ? 233 HIS A C 1 ATOM 1821 C C B HIS A 1 233 ? -11.041 -35.144 -16.688 0.50 24.42 ? 233 HIS A C 1 ATOM 1822 O O A HIS A 1 233 ? -12.368 -34.957 -16.943 0.50 23.99 ? 233 HIS A O 1 ATOM 1823 O O B HIS A 1 233 ? -11.881 -34.395 -17.195 0.50 24.44 ? 233 HIS A O 1 ATOM 1824 C CB A HIS A 1 233 ? -9.810 -35.094 -18.667 0.50 23.68 ? 233 HIS A CB 1 ATOM 1825 C CB B HIS A 1 233 ? -9.378 -35.431 -18.587 0.50 23.98 ? 233 HIS A CB 1 ATOM 1826 C CG A HIS A 1 233 ? -9.020 -33.955 -18.100 0.50 23.77 ? 233 HIS A CG 1 ATOM 1827 C CG B HIS A 1 233 ? -8.340 -36.327 -19.187 0.50 25.52 ? 233 HIS A CG 1 ATOM 1828 N ND1 A HIS A 1 233 ? -9.593 -32.744 -17.745 0.50 24.01 ? 233 HIS A ND1 1 ATOM 1829 N ND1 B HIS A 1 233 ? -8.446 -36.847 -20.461 0.50 24.30 ? 233 HIS A ND1 1 ATOM 1830 C CD2 A HIS A 1 233 ? -7.708 -33.853 -17.789 0.50 22.38 ? 233 HIS A CD2 1 ATOM 1831 C CD2 B HIS A 1 233 ? -7.180 -36.811 -18.681 0.50 24.76 ? 233 HIS A CD2 1 ATOM 1832 C CE1 A HIS A 1 233 ? -8.660 -31.944 -17.263 0.50 22.58 ? 233 HIS A CE1 1 ATOM 1833 C CE1 B HIS A 1 233 ? -7.400 -37.608 -20.713 0.50 23.46 ? 233 HIS A CE1 1 ATOM 1834 N NE2 A HIS A 1 233 ? -7.507 -32.593 -17.284 0.50 22.07 ? 233 HIS A NE2 1 ATOM 1835 N NE2 B HIS A 1 233 ? -6.618 -37.606 -19.649 0.50 24.39 ? 233 HIS A NE2 1 ATOM 1836 N N . ARG A 1 234 ? -10.750 -35.176 -15.387 1.00 25.40 ? 234 ARG A N 1 ATOM 1837 C CA . ARG A 1 234 ? -11.448 -34.419 -14.348 1.00 24.95 ? 234 ARG A CA 1 ATOM 1838 C C . ARG A 1 234 ? -10.923 -32.990 -14.432 1.00 24.89 ? 234 ARG A C 1 ATOM 1839 O O . ARG A 1 234 ? -9.699 -32.775 -14.507 1.00 23.64 ? 234 ARG A O 1 ATOM 1840 C CB . ARG A 1 234 ? -11.137 -35.069 -12.977 1.00 26.27 ? 234 ARG A CB 1 ATOM 1841 C CG . ARG A 1 234 ? -11.715 -34.389 -11.742 1.00 30.92 ? 234 ARG A CG 1 ATOM 1842 C CD . ARG A 1 234 ? -11.622 -35.236 -10.451 1.00 37.97 ? 234 ARG A CD 1 ATOM 1843 N NE . ARG A 1 234 ? -10.533 -34.922 -9.506 1.00 43.81 ? 234 ARG A NE 1 ATOM 1844 C CZ . ARG A 1 234 ? -9.761 -33.819 -9.500 1.00 46.42 ? 234 ARG A CZ 1 ATOM 1845 N NH1 . ARG A 1 234 ? -9.908 -32.845 -10.401 1.00 45.89 ? 234 ARG A NH1 1 ATOM 1846 N NH2 . ARG A 1 234 ? -8.824 -33.680 -8.567 1.00 45.96 ? 234 ARG A NH2 1 ATOM 1847 N N . GLY A 1 235 ? -11.841 -32.027 -14.489 1.00 23.44 ? 235 GLY A N 1 ATOM 1848 C CA . GLY A 1 235 ? -11.473 -30.607 -14.479 1.00 22.34 ? 235 GLY A CA 1 ATOM 1849 C C . GLY A 1 235 ? -11.058 -30.165 -13.062 1.00 22.85 ? 235 GLY A C 1 ATOM 1850 O O . GLY A 1 235 ? -10.853 -30.989 -12.160 1.00 22.56 ? 235 GLY A O 1 ATOM 1851 N N . ASP A 1 236 ? -10.874 -28.858 -12.874 1.00 19.94 ? 236 ASP A N 1 ATOM 1852 C CA . ASP A 1 236 ? -10.477 -28.301 -11.571 1.00 20.71 ? 236 ASP A CA 1 ATOM 1853 C C . ASP A 1 236 ? -11.743 -28.145 -10.738 1.00 19.37 ? 236 ASP A C 1 ATOM 1854 O O . ASP A 1 236 ? -12.802 -27.964 -11.309 1.00 20.26 ? 236 ASP A O 1 ATOM 1855 C CB . ASP A 1 236 ? -9.953 -26.888 -11.795 1.00 20.06 ? 236 ASP A CB 1 ATOM 1856 C CG . ASP A 1 236 ? -8.488 -26.874 -12.287 1.00 23.20 ? 236 ASP A CG 1 ATOM 1857 O OD1 . ASP A 1 236 ? -7.799 -27.868 -12.152 1.00 24.18 ? 236 ASP A OD1 1 ATOM 1858 O OD2 . ASP A 1 236 ? -7.982 -25.832 -12.732 1.00 23.31 ? 236 ASP A OD2 1 ATOM 1859 N N . PHE A 1 237 ? -11.648 -28.135 -9.412 1.00 18.22 ? 237 PHE A N 1 ATOM 1860 C CA . PHE A 1 237 ? -12.860 -27.845 -8.625 1.00 17.86 ? 237 PHE A CA 1 ATOM 1861 C C . PHE A 1 237 ? -13.061 -26.341 -8.509 1.00 17.44 ? 237 PHE A C 1 ATOM 1862 O O . PHE A 1 237 ? -12.143 -25.568 -8.068 1.00 16.59 ? 237 PHE A O 1 ATOM 1863 C CB . PHE A 1 237 ? -12.716 -28.362 -7.186 1.00 18.73 ? 237 PHE A CB 1 ATOM 1864 C CG . PHE A 1 237 ? -12.827 -29.814 -7.056 1.00 16.97 ? 237 PHE A CG 1 ATOM 1865 C CD1 . PHE A 1 237 ? -13.970 -30.409 -6.544 1.00 20.80 ? 237 PHE A CD1 1 ATOM 1866 C CD2 . PHE A 1 237 ? -11.744 -30.635 -7.460 1.00 20.67 ? 237 PHE A CD2 1 ATOM 1867 C CE1 . PHE A 1 237 ? -14.060 -31.820 -6.402 1.00 21.77 ? 237 PHE A CE1 1 ATOM 1868 C CE2 . PHE A 1 237 ? -11.830 -32.008 -7.295 1.00 21.42 ? 237 PHE A CE2 1 ATOM 1869 C CZ . PHE A 1 237 ? -12.976 -32.602 -6.777 1.00 20.50 ? 237 PHE A CZ 1 ATOM 1870 N N . LEU A 1 238 ? -14.264 -25.901 -8.877 1.00 15.88 ? 238 LEU A N 1 ATOM 1871 C CA . LEU A 1 238 ? -14.557 -24.454 -8.972 1.00 15.19 ? 238 LEU A CA 1 ATOM 1872 C C . LEU A 1 238 ? -15.638 -24.147 -7.928 1.00 13.49 ? 238 LEU A C 1 ATOM 1873 O O . LEU A 1 238 ? -16.596 -24.913 -7.765 1.00 17.52 ? 238 LEU A O 1 ATOM 1874 C CB . LEU A 1 238 ? -15.179 -24.169 -10.345 1.00 12.63 ? 238 LEU A CB 1 ATOM 1875 C CG . LEU A 1 238 ? -14.291 -24.610 -11.506 1.00 14.52 ? 238 LEU A CG 1 ATOM 1876 C CD1 . LEU A 1 238 ? -14.927 -24.125 -12.821 1.00 13.60 ? 238 LEU A CD1 1 ATOM 1877 C CD2 . LEU A 1 238 ? -12.876 -24.044 -11.296 1.00 16.40 ? 238 LEU A CD2 1 ATOM 1878 N N . PRO A 1 239 ? -15.468 -23.063 -7.152 1.00 14.87 ? 239 PRO A N 1 ATOM 1879 C CA . PRO A 1 239 ? -16.505 -22.879 -6.196 1.00 14.36 ? 239 PRO A CA 1 ATOM 1880 C C . PRO A 1 239 ? -17.816 -22.243 -6.742 1.00 14.65 ? 239 PRO A C 1 ATOM 1881 O O . PRO A 1 239 ? -17.769 -21.312 -7.541 1.00 16.21 ? 239 PRO A O 1 ATOM 1882 C CB . PRO A 1 239 ? -15.889 -21.898 -5.153 1.00 15.31 ? 239 PRO A CB 1 ATOM 1883 C CG . PRO A 1 239 ? -15.015 -21.009 -6.086 1.00 13.88 ? 239 PRO A CG 1 ATOM 1884 C CD . PRO A 1 239 ? -14.467 -21.990 -7.139 1.00 15.28 ? 239 PRO A CD 1 ATOM 1885 N N . ASN A 1 240 ? -18.956 -22.633 -6.160 1.00 14.70 ? 240 ASN A N 1 ATOM 1886 C CA . ASN A 1 240 ? -20.200 -21.833 -6.321 1.00 14.54 ? 240 ASN A CA 1 ATOM 1887 C C . ASN A 1 240 ? -20.233 -20.840 -5.197 1.00 16.17 ? 240 ASN A C 1 ATOM 1888 O O . ASN A 1 240 ? -19.410 -20.866 -4.276 1.00 16.54 ? 240 ASN A O 1 ATOM 1889 C CB . ASN A 1 240 ? -21.439 -22.700 -6.288 1.00 15.22 ? 240 ASN A CB 1 ATOM 1890 C CG . ASN A 1 240 ? -21.528 -23.604 -7.528 1.00 17.73 ? 240 ASN A CG 1 ATOM 1891 O OD1 . ASN A 1 240 ? -21.268 -23.144 -8.636 1.00 14.78 ? 240 ASN A OD1 1 ATOM 1892 N ND2 . ASN A 1 240 ? -21.857 -24.886 -7.343 1.00 15.44 ? 240 ASN A ND2 1 ATOM 1893 N N . ALA A 1 241 ? -21.185 -19.925 -5.317 1.00 15.03 ? 241 ALA A N 1 ATOM 1894 C CA . ALA A 1 241 ? -21.278 -18.826 -4.414 1.00 14.12 ? 241 ALA A CA 1 ATOM 1895 C C . ALA A 1 241 ? -22.099 -19.144 -3.127 1.00 15.20 ? 241 ALA A C 1 ATOM 1896 O O . ALA A 1 241 ? -22.167 -18.331 -2.186 1.00 14.60 ? 241 ALA A O 1 ATOM 1897 C CB . ALA A 1 241 ? -21.783 -17.592 -5.201 1.00 14.68 ? 241 ALA A CB 1 ATOM 1898 N N . ASP A 1 242 ? -22.558 -20.385 -3.041 1.00 14.27 ? 242 ASP A N 1 ATOM 1899 C CA . ASP A 1 242 ? -23.408 -20.855 -1.921 1.00 14.54 ? 242 ASP A CA 1 ATOM 1900 C C . ASP A 1 242 ? -22.759 -22.050 -1.120 1.00 14.97 ? 242 ASP A C 1 ATOM 1901 O O . ASP A 1 242 ? -23.429 -22.964 -0.579 1.00 15.50 ? 242 ASP A O 1 ATOM 1902 C CB . ASP A 1 242 ? -24.784 -21.185 -2.510 1.00 15.29 ? 242 ASP A CB 1 ATOM 1903 C CG . ASP A 1 242 ? -24.770 -22.475 -3.381 1.00 20.32 ? 242 ASP A CG 1 ATOM 1904 O OD1 . ASP A 1 242 ? -23.696 -22.871 -3.881 1.00 19.42 ? 242 ASP A OD1 1 ATOM 1905 O OD2 . ASP A 1 242 ? -25.837 -23.123 -3.507 1.00 21.15 ? 242 ASP A OD2 1 ATOM 1906 N N . GLU A 1 243 ? -21.442 -22.004 -1.071 1.00 14.35 ? 243 GLU A N 1 ATOM 1907 C CA . GLU A 1 243 ? -20.633 -22.943 -0.324 1.00 15.40 ? 243 GLU A CA 1 ATOM 1908 C C . GLU A 1 243 ? -20.918 -24.373 -0.807 1.00 15.59 ? 243 GLU A C 1 ATOM 1909 O O . GLU A 1 243 ? -21.250 -25.250 -0.009 1.00 14.67 ? 243 GLU A O 1 ATOM 1910 C CB . GLU A 1 243 ? -20.853 -22.757 1.187 1.00 15.63 ? 243 GLU A CB 1 ATOM 1911 C CG . GLU A 1 243 ? -20.412 -21.303 1.568 1.00 16.88 ? 243 GLU A CG 1 ATOM 1912 C CD . GLU A 1 243 ? -20.491 -20.983 3.026 1.00 19.79 ? 243 GLU A CD 1 ATOM 1913 O OE1 . GLU A 1 243 ? -19.613 -20.273 3.533 1.00 20.86 ? 243 GLU A OE1 1 ATOM 1914 O OE2 . GLU A 1 243 ? -21.471 -21.414 3.682 1.00 22.53 ? 243 GLU A OE2 1 ATOM 1915 N N . THR A 1 244 ? -20.902 -24.529 -2.117 1.00 14.93 ? 244 THR A N 1 ATOM 1916 C CA . THR A 1 244 ? -20.959 -25.825 -2.736 1.00 15.89 ? 244 THR A CA 1 ATOM 1917 C C . THR A 1 244 ? -19.947 -25.761 -3.865 1.00 14.70 ? 244 THR A C 1 ATOM 1918 O O . THR A 1 244 ? -19.414 -24.734 -4.182 1.00 14.39 ? 244 THR A O 1 ATOM 1919 C CB . THR A 1 244 ? -22.349 -26.211 -3.331 1.00 14.26 ? 244 THR A CB 1 ATOM 1920 O OG1 . THR A 1 244 ? -22.737 -25.379 -4.445 1.00 15.07 ? 244 THR A OG1 1 ATOM 1921 C CG2 . THR A 1 244 ? -23.518 -26.229 -2.279 1.00 13.04 ? 244 THR A CG2 1 ATOM 1922 N N . TRP A 1 245 ? -19.740 -26.917 -4.485 1.00 15.62 ? 245 TRP A N 1 ATOM 1923 C CA . TRP A 1 245 ? -18.671 -27.118 -5.498 1.00 15.86 ? 245 TRP A CA 1 ATOM 1924 C C . TRP A 1 245 ? -19.201 -27.449 -6.894 1.00 16.47 ? 245 TRP A C 1 ATOM 1925 O O . TRP A 1 245 ? -20.284 -27.993 -7.035 1.00 17.20 ? 245 TRP A O 1 ATOM 1926 C CB . TRP A 1 245 ? -17.754 -28.282 -5.016 1.00 15.28 ? 245 TRP A CB 1 ATOM 1927 C CG . TRP A 1 245 ? -16.874 -27.858 -3.864 1.00 14.97 ? 245 TRP A CG 1 ATOM 1928 C CD1 . TRP A 1 245 ? -17.030 -28.156 -2.549 1.00 15.24 ? 245 TRP A CD1 1 ATOM 1929 C CD2 . TRP A 1 245 ? -15.754 -26.954 -3.955 1.00 17.50 ? 245 TRP A CD2 1 ATOM 1930 N NE1 . TRP A 1 245 ? -16.026 -27.551 -1.799 1.00 15.00 ? 245 TRP A NE1 1 ATOM 1931 C CE2 . TRP A 1 245 ? -15.239 -26.802 -2.652 1.00 16.92 ? 245 TRP A CE2 1 ATOM 1932 C CE3 . TRP A 1 245 ? -15.114 -26.301 -5.030 1.00 17.02 ? 245 TRP A CE3 1 ATOM 1933 C CZ2 . TRP A 1 245 ? -14.150 -26.013 -2.387 1.00 18.27 ? 245 TRP A CZ2 1 ATOM 1934 C CZ3 . TRP A 1 245 ? -14.001 -25.516 -4.781 1.00 17.53 ? 245 TRP A CZ3 1 ATOM 1935 C CH2 . TRP A 1 245 ? -13.518 -25.371 -3.459 1.00 21.13 ? 245 TRP A CH2 1 ATOM 1936 N N . TYR A 1 246 ? -18.382 -27.133 -7.891 1.00 15.89 ? 246 TYR A N 1 ATOM 1937 C CA . TYR A 1 246 ? -18.681 -27.404 -9.287 1.00 16.83 ? 246 TYR A CA 1 ATOM 1938 C C . TYR A 1 246 ? -17.472 -28.158 -9.866 1.00 15.67 ? 246 TYR A C 1 ATOM 1939 O O . TYR A 1 246 ? -16.331 -27.817 -9.534 1.00 16.38 ? 246 TYR A O 1 ATOM 1940 C CB . TYR A 1 246 ? -18.840 -26.097 -10.057 1.00 14.50 ? 246 TYR A CB 1 ATOM 1941 C CG . TYR A 1 246 ? -19.127 -26.254 -11.553 1.00 16.85 ? 246 TYR A CG 1 ATOM 1942 C CD1 . TYR A 1 246 ? -20.422 -25.936 -12.064 1.00 17.85 ? 246 TYR A CD1 1 ATOM 1943 C CD2 . TYR A 1 246 ? -18.080 -26.522 -12.477 1.00 17.66 ? 246 TYR A CD2 1 ATOM 1944 C CE1 . TYR A 1 246 ? -20.714 -25.969 -13.466 1.00 18.05 ? 246 TYR A CE1 1 ATOM 1945 C CE2 . TYR A 1 246 ? -18.356 -26.587 -13.893 1.00 18.76 ? 246 TYR A CE2 1 ATOM 1946 C CZ . TYR A 1 246 ? -19.664 -26.346 -14.363 1.00 20.02 ? 246 TYR A CZ 1 ATOM 1947 O OH . TYR A 1 246 ? -19.876 -26.355 -15.743 1.00 18.83 ? 246 TYR A OH 1 ATOM 1948 N N . LEU A 1 247 ? -17.682 -29.169 -10.738 1.00 17.73 ? 247 LEU A N 1 ATOM 1949 C CA . LEU A 1 247 ? -16.586 -29.933 -11.390 1.00 17.70 ? 247 LEU A CA 1 ATOM 1950 C C . LEU A 1 247 ? -17.110 -30.420 -12.757 1.00 17.71 ? 247 LEU A C 1 ATOM 1951 O O . LEU A 1 247 ? -18.291 -30.827 -12.828 1.00 20.26 ? 247 LEU A O 1 ATOM 1952 C CB . LEU A 1 247 ? -16.234 -31.205 -10.529 1.00 16.43 ? 247 LEU A CB 1 ATOM 1953 C CG . LEU A 1 247 ? -15.082 -32.115 -10.958 1.00 20.73 ? 247 LEU A CG 1 ATOM 1954 C CD1 . LEU A 1 247 ? -13.724 -31.331 -10.828 1.00 21.76 ? 247 LEU A CD1 1 ATOM 1955 C CD2 . LEU A 1 247 ? -15.030 -33.424 -10.123 1.00 23.38 ? 247 LEU A CD2 1 ATOM 1956 N N . GLN A 1 248 ? -16.291 -30.445 -13.802 1.00 17.97 ? 248 GLN A N 1 ATOM 1957 C CA . GLN A 1 248 ? -16.607 -31.087 -15.095 1.00 19.67 ? 248 GLN A CA 1 ATOM 1958 C C . GLN A 1 248 ? -15.670 -32.305 -15.252 1.00 19.92 ? 248 GLN A C 1 ATOM 1959 O O . GLN A 1 248 ? -14.514 -32.261 -14.805 1.00 20.25 ? 248 GLN A O 1 ATOM 1960 C CB . GLN A 1 248 ? -16.256 -30.139 -16.293 1.00 21.05 ? 248 GLN A CB 1 ATOM 1961 C CG . GLN A 1 248 ? -16.933 -28.879 -16.276 1.00 28.50 ? 248 GLN A CG 1 ATOM 1962 C CD . GLN A 1 248 ? -16.578 -28.014 -17.466 1.00 32.62 ? 248 GLN A CD 1 ATOM 1963 O OE1 . GLN A 1 248 ? -17.316 -27.092 -17.806 1.00 41.58 ? 248 GLN A OE1 1 ATOM 1964 N NE2 . GLN A 1 248 ? -15.421 -28.287 -18.096 1.00 33.54 ? 248 GLN A NE2 1 ATOM 1965 N N . ALA A 1 249 ? -16.165 -33.412 -15.822 1.00 20.49 ? 249 ALA A N 1 ATOM 1966 C CA . ALA A 1 249 ? -15.272 -34.485 -16.300 1.00 22.22 ? 249 ALA A CA 1 ATOM 1967 C C . ALA A 1 249 ? -15.515 -34.556 -17.818 1.00 23.10 ? 249 ALA A C 1 ATOM 1968 O O . ALA A 1 249 ? -16.704 -34.560 -18.213 1.00 22.65 ? 249 ALA A O 1 ATOM 1969 C CB . ALA A 1 249 ? -15.698 -35.761 -15.690 1.00 22.41 ? 249 ALA A CB 1 ATOM 1970 N N . THR A 1 250 ? -14.454 -34.627 -18.665 1.00 22.48 ? 250 THR A N 1 ATOM 1971 C CA . THR A 1 250 ? -14.635 -34.576 -20.123 1.00 22.97 ? 250 THR A CA 1 ATOM 1972 C C . THR A 1 250 ? -14.096 -35.872 -20.697 1.00 23.28 ? 250 THR A C 1 ATOM 1973 O O . THR A 1 250 ? -13.233 -36.499 -20.062 1.00 22.60 ? 250 THR A O 1 ATOM 1974 C CB . THR A 1 250 ? -13.886 -33.413 -20.810 1.00 23.52 ? 250 THR A CB 1 ATOM 1975 O OG1 . THR A 1 250 ? -12.483 -33.536 -20.553 1.00 25.18 ? 250 THR A OG1 1 ATOM 1976 C CG2 . THR A 1 250 ? -14.371 -32.043 -20.286 1.00 22.35 ? 250 THR A CG2 1 ATOM 1977 N N . LEU A 1 251 ? -14.619 -36.277 -21.861 1.00 23.07 ? 251 LEU A N 1 ATOM 1978 C CA . LEU A 1 251 ? -14.156 -37.499 -22.546 1.00 25.04 ? 251 LEU A CA 1 ATOM 1979 C C . LEU A 1 251 ? -14.193 -37.246 -24.056 1.00 26.03 ? 251 LEU A C 1 ATOM 1980 O O . LEU A 1 251 ? -15.243 -36.877 -24.574 1.00 25.91 ? 251 LEU A O 1 ATOM 1981 C CB . LEU A 1 251 ? -15.054 -38.701 -22.185 1.00 24.79 ? 251 LEU A CB 1 ATOM 1982 C CG . LEU A 1 251 ? -14.771 -40.081 -22.857 1.00 24.57 ? 251 LEU A CG 1 ATOM 1983 C CD1 . LEU A 1 251 ? -13.583 -40.833 -22.231 1.00 25.69 ? 251 LEU A CD1 1 ATOM 1984 C CD2 . LEU A 1 251 ? -16.025 -40.986 -22.981 1.00 25.11 ? 251 LEU A CD2 1 ATOM 1985 N N . ASP A 1 252 ? -13.047 -37.390 -24.743 1.00 27.58 ? 252 ASP A N 1 ATOM 1986 C CA . ASP A 1 252 ? -12.974 -37.221 -26.198 1.00 29.06 ? 252 ASP A CA 1 ATOM 1987 C C . ASP A 1 252 ? -13.390 -38.514 -26.798 1.00 29.54 ? 252 ASP A C 1 ATOM 1988 O O . ASP A 1 252 ? -12.799 -39.521 -26.500 1.00 29.12 ? 252 ASP A O 1 ATOM 1989 C CB . ASP A 1 252 ? -11.547 -36.926 -26.661 1.00 29.50 ? 252 ASP A CB 1 ATOM 1990 C CG . ASP A 1 252 ? -11.062 -35.571 -26.209 1.00 33.86 ? 252 ASP A CG 1 ATOM 1991 O OD1 . ASP A 1 252 ? -11.908 -34.741 -25.806 1.00 37.98 ? 252 ASP A OD1 1 ATOM 1992 O OD2 . ASP A 1 252 ? -9.834 -35.312 -26.255 1.00 39.72 ? 252 ASP A OD2 1 ATOM 1993 N N . VAL A 1 253 ? -14.428 -38.496 -27.614 1.00 31.37 ? 253 VAL A N 1 ATOM 1994 C CA . VAL A 1 253 ? -14.937 -39.730 -28.213 1.00 33.23 ? 253 VAL A CA 1 ATOM 1995 C C . VAL A 1 253 ? -14.991 -39.602 -29.741 1.00 34.84 ? 253 VAL A C 1 ATOM 1996 O O . VAL A 1 253 ? -15.220 -38.510 -30.274 1.00 34.90 ? 253 VAL A O 1 ATOM 1997 C CB . VAL A 1 253 ? -16.336 -40.079 -27.689 1.00 33.79 ? 253 VAL A CB 1 ATOM 1998 C CG1 . VAL A 1 253 ? -16.302 -40.332 -26.196 1.00 32.74 ? 253 VAL A CG1 1 ATOM 1999 C CG2 . VAL A 1 253 ? -17.312 -38.970 -28.004 1.00 34.15 ? 253 VAL A CG2 1 ATOM 2000 N N . GLU A 1 254 ? -14.770 -40.701 -30.456 1.00 36.48 ? 254 GLU A N 1 ATOM 2001 C CA . GLU A 1 254 ? -14.906 -40.652 -31.908 1.00 39.06 ? 254 GLU A CA 1 ATOM 2002 C C . GLU A 1 254 ? -16.386 -40.502 -32.277 1.00 39.94 ? 254 GLU A C 1 ATOM 2003 O O . GLU A 1 254 ? -17.269 -41.127 -31.672 1.00 40.31 ? 254 GLU A O 1 ATOM 2004 C CB . GLU A 1 254 ? -14.303 -41.902 -32.565 1.00 38.83 ? 254 GLU A CB 1 ATOM 2005 C CG . GLU A 1 254 ? -13.885 -41.727 -34.022 1.00 41.78 ? 254 GLU A CG 1 ATOM 2006 C CD . GLU A 1 254 ? -13.686 -43.064 -34.757 1.00 45.19 ? 254 GLU A CD 1 ATOM 2007 O OE1 . GLU A 1 254 ? -13.279 -43.057 -35.951 1.00 45.82 ? 254 GLU A OE1 1 ATOM 2008 O OE2 . GLU A 1 254 ? -13.949 -44.132 -34.149 1.00 47.30 ? 254 GLU A OE2 1 ATOM 2009 N N . ALA A 1 255 ? -16.646 -39.659 -33.270 1.00 41.35 ? 255 ALA A N 1 ATOM 2010 C CA . ALA A 1 255 ? -18.009 -39.414 -33.764 1.00 42.11 ? 255 ALA A CA 1 ATOM 2011 C C . ALA A 1 255 ? -18.787 -40.698 -34.134 1.00 42.15 ? 255 ALA A C 1 ATOM 2012 O O . ALA A 1 255 ? -18.281 -41.573 -34.837 1.00 42.13 ? 255 ALA A O 1 ATOM 2013 C CB . ALA A 1 255 ? -17.971 -38.422 -34.952 1.00 42.12 ? 255 ALA A CB 1 ATOM 2014 N N . GLY A 1 256 ? -20.029 -40.795 -33.662 1.00 42.28 ? 256 GLY A N 1 ATOM 2015 C CA . GLY A 1 256 ? -20.780 -42.042 -33.762 1.00 42.09 ? 256 GLY A CA 1 ATOM 2016 C C . GLY A 1 256 ? -20.836 -42.676 -32.383 1.00 42.33 ? 256 GLY A C 1 ATOM 2017 O O . GLY A 1 256 ? -21.904 -42.767 -31.777 1.00 42.63 ? 256 GLY A O 1 ATOM 2018 N N . GLU A 1 257 ? -19.670 -43.041 -31.852 1.00 41.95 ? 257 GLU A N 1 ATOM 2019 C CA . GLU A 1 257 ? -19.577 -43.930 -30.688 1.00 40.86 ? 257 GLU A CA 1 ATOM 2020 C C . GLU A 1 257 ? -19.972 -43.321 -29.353 1.00 39.42 ? 257 GLU A C 1 ATOM 2021 O O . GLU A 1 257 ? -19.314 -43.563 -28.341 1.00 39.40 ? 257 GLU A O 1 ATOM 2022 C CB . GLU A 1 257 ? -18.160 -44.484 -30.562 1.00 41.45 ? 257 GLU A CB 1 ATOM 2023 C CG . GLU A 1 257 ? -17.245 -43.577 -29.755 1.00 42.76 ? 257 GLU A CG 1 ATOM 2024 C CD . GLU A 1 257 ? -15.771 -43.757 -30.117 1.00 46.08 ? 257 GLU A CD 1 ATOM 2025 O OE1 . GLU A 1 257 ? -14.934 -42.935 -29.643 1.00 45.11 ? 257 GLU A OE1 1 ATOM 2026 O OE2 . GLU A 1 257 ? -15.459 -44.716 -30.887 1.00 45.74 ? 257 GLU A OE2 1 ATOM 2027 N N . GLU A 1 258 ? -21.058 -42.562 -29.333 1.00 37.44 ? 258 GLU A N 1 ATOM 2028 C CA . GLU A 1 258 ? -21.455 -41.903 -28.117 1.00 35.80 ? 258 GLU A CA 1 ATOM 2029 C C . GLU A 1 258 ? -22.658 -42.565 -27.478 1.00 33.35 ? 258 GLU A C 1 ATOM 2030 O O . GLU A 1 258 ? -22.938 -42.392 -26.283 1.00 30.83 ? 258 GLU A O 1 ATOM 2031 C CB . GLU A 1 258 ? -21.718 -40.446 -28.428 1.00 36.68 ? 258 GLU A CB 1 ATOM 2032 C CG . GLU A 1 258 ? -20.558 -39.874 -29.219 1.00 40.36 ? 258 GLU A CG 1 ATOM 2033 C CD . GLU A 1 258 ? -21.018 -38.982 -30.332 1.00 46.26 ? 258 GLU A CD 1 ATOM 2034 O OE1 . GLU A 1 258 ? -20.176 -38.618 -31.178 1.00 48.98 ? 258 GLU A OE1 1 ATOM 2035 O OE2 . GLU A 1 258 ? -22.222 -38.641 -30.359 1.00 48.97 ? 258 GLU A OE2 1 ATOM 2036 N N . ALA A 1 259 ? -23.369 -43.327 -28.302 1.00 31.40 ? 259 ALA A N 1 ATOM 2037 C CA . ALA A 1 259 ? -24.446 -44.152 -27.825 1.00 29.88 ? 259 ALA A CA 1 ATOM 2038 C C . ALA A 1 259 ? -23.850 -45.201 -26.869 1.00 29.20 ? 259 ALA A C 1 ATOM 2039 O O . ALA A 1 259 ? -22.802 -45.780 -27.138 1.00 27.14 ? 259 ALA A O 1 ATOM 2040 C CB . ALA A 1 259 ? -25.153 -44.832 -29.022 1.00 30.84 ? 259 ALA A CB 1 ATOM 2041 N N . GLY A 1 260 ? -24.504 -45.418 -25.733 1.00 28.68 ? 260 GLY A N 1 ATOM 2042 C CA . GLY A 1 260 ? -23.986 -46.369 -24.759 1.00 26.80 ? 260 GLY A CA 1 ATOM 2043 C C . GLY A 1 260 ? -23.161 -45.740 -23.638 1.00 26.28 ? 260 GLY A C 1 ATOM 2044 O O . GLY A 1 260 ? -22.956 -46.384 -22.587 1.00 27.15 ? 260 GLY A O 1 ATOM 2045 N N . LEU A 1 261 ? -22.691 -44.501 -23.845 1.00 24.01 ? 261 LEU A N 1 ATOM 2046 C CA . LEU A 1 261 ? -21.998 -43.713 -22.795 1.00 23.18 ? 261 LEU A CA 1 ATOM 2047 C C . LEU A 1 261 ? -22.928 -43.039 -21.745 1.00 21.37 ? 261 LEU A C 1 ATOM 2048 O O . LEU A 1 261 ? -24.050 -42.654 -22.046 1.00 20.85 ? 261 LEU A O 1 ATOM 2049 C CB . LEU A 1 261 ? -21.093 -42.657 -23.440 1.00 23.03 ? 261 LEU A CB 1 ATOM 2050 C CG . LEU A 1 261 ? -19.858 -43.152 -24.221 1.00 26.10 ? 261 LEU A CG 1 ATOM 2051 C CD1 . LEU A 1 261 ? -19.079 -41.990 -24.817 1.00 26.71 ? 261 LEU A CD1 1 ATOM 2052 C CD2 . LEU A 1 261 ? -18.947 -44.085 -23.374 1.00 31.04 ? 261 LEU A CD2 1 ATOM 2053 N N . ALA A 1 262 ? -22.462 -42.929 -20.509 1.00 18.79 ? 262 ALA A N 1 ATOM 2054 C CA . ALA A 1 262 ? -23.250 -42.355 -19.428 1.00 19.73 ? 262 ALA A CA 1 ATOM 2055 C C . ALA A 1 262 ? -22.265 -41.655 -18.511 1.00 19.94 ? 262 ALA A C 1 ATOM 2056 O O . ALA A 1 262 ? -21.105 -42.087 -18.387 1.00 18.70 ? 262 ALA A O 1 ATOM 2057 C CB . ALA A 1 262 ? -24.049 -43.441 -18.649 1.00 19.74 ? 262 ALA A CB 1 ATOM 2058 N N . CYS A 1 263 ? -22.690 -40.552 -17.886 1.00 20.66 ? 263 CYS A N 1 ATOM 2059 C CA . CYS A 1 263 ? -21.897 -39.991 -16.810 1.00 20.16 ? 263 CYS A CA 1 ATOM 2060 C C . CYS A 1 263 ? -22.386 -40.538 -15.474 1.00 21.09 ? 263 CYS A C 1 ATOM 2061 O O . CYS A 1 263 ? -23.589 -40.499 -15.188 1.00 20.15 ? 263 CYS A O 1 ATOM 2062 C CB . CYS A 1 263 ? -21.972 -38.452 -16.828 1.00 21.60 ? 263 CYS A CB 1 ATOM 2063 S SG . CYS A 1 263 ? -20.923 -37.789 -15.533 1.00 28.11 ? 263 CYS A SG 1 ATOM 2064 N N . ARG A 1 264 ? -21.455 -41.014 -14.637 1.00 18.94 ? 264 ARG A N 1 ATOM 2065 C CA . ARG A 1 264 ? -21.805 -41.517 -13.328 1.00 17.66 ? 264 ARG A CA 1 ATOM 2066 C C . ARG A 1 264 ? -21.205 -40.687 -12.214 1.00 17.41 ? 264 ARG A C 1 ATOM 2067 O O . ARG A 1 264 ? -20.014 -40.404 -12.232 1.00 18.91 ? 264 ARG A O 1 ATOM 2068 C CB . ARG A 1 264 ? -21.377 -42.997 -13.200 1.00 18.76 ? 264 ARG A CB 1 ATOM 2069 C CG . ARG A 1 264 ? -21.928 -43.610 -11.965 1.00 18.60 ? 264 ARG A CG 1 ATOM 2070 C CD . ARG A 1 264 ? -21.884 -45.172 -12.076 1.00 25.99 ? 264 ARG A CD 1 ATOM 2071 N NE . ARG A 1 264 ? -22.614 -45.707 -10.951 1.00 32.02 ? 264 ARG A NE 1 ATOM 2072 C CZ . ARG A 1 264 ? -23.393 -46.781 -10.982 1.00 34.53 ? 264 ARG A CZ 1 ATOM 2073 N NH1 . ARG A 1 264 ? -23.551 -47.480 -12.118 1.00 32.60 ? 264 ARG A NH1 1 ATOM 2074 N NH2 . ARG A 1 264 ? -23.978 -47.192 -9.851 1.00 37.72 ? 264 ARG A NH2 1 ATOM 2075 N N . VAL A 1 265 ? -22.034 -40.312 -11.248 1.00 17.00 ? 265 VAL A N 1 ATOM 2076 C CA . VAL A 1 265 ? -21.618 -39.488 -10.102 1.00 18.34 ? 265 VAL A CA 1 ATOM 2077 C C . VAL A 1 265 ? -21.918 -40.182 -8.753 1.00 19.05 ? 265 VAL A C 1 ATOM 2078 O O . VAL A 1 265 ? -23.042 -40.572 -8.463 1.00 17.63 ? 265 VAL A O 1 ATOM 2079 C CB . VAL A 1 265 ? -22.323 -38.133 -10.112 1.00 18.79 ? 265 VAL A CB 1 ATOM 2080 C CG1 . VAL A 1 265 ? -21.754 -37.283 -8.918 1.00 18.07 ? 265 VAL A CG1 1 ATOM 2081 C CG2 . VAL A 1 265 ? -22.087 -37.370 -11.443 1.00 20.10 ? 265 VAL A CG2 1 ATOM 2082 N N . LYS A 1 266 ? -20.886 -40.356 -7.928 1.00 18.88 ? 266 LYS A N 1 ATOM 2083 C CA . LYS A 1 266 ? -21.027 -40.901 -6.601 1.00 18.31 ? 266 LYS A CA 1 ATOM 2084 C C . LYS A 1 266 ? -20.697 -39.746 -5.628 1.00 18.47 ? 266 LYS A C 1 ATOM 2085 O O . LYS A 1 266 ? -19.704 -39.031 -5.811 1.00 18.15 ? 266 LYS A O 1 ATOM 2086 C CB . LYS A 1 266 ? -20.003 -41.990 -6.418 1.00 18.34 ? 266 LYS A CB 1 ATOM 2087 C CG . LYS A 1 266 ? -20.386 -43.302 -7.071 1.00 20.72 ? 266 LYS A CG 1 ATOM 2088 C CD . LYS A 1 266 ? -19.283 -44.358 -6.872 1.00 21.58 ? 266 LYS A CD 1 ATOM 2089 C CE . LYS A 1 266 ? -19.524 -45.517 -7.782 1.00 24.34 ? 266 LYS A CE 1 ATOM 2090 N NZ . LYS A 1 266 ? -20.724 -46.245 -7.294 1.00 24.98 ? 266 LYS A NZ 1 ATOM 2091 N N . HIS A 1 267 ? -21.524 -39.565 -4.614 1.00 17.49 ? 267 HIS A N 1 ATOM 2092 C CA . HIS A 1 267 ? -21.272 -38.533 -3.630 1.00 18.01 ? 267 HIS A CA 1 ATOM 2093 C C . HIS A 1 267 ? -21.920 -38.859 -2.288 1.00 18.65 ? 267 HIS A C 1 ATOM 2094 O O . HIS A 1 267 ? -22.990 -39.490 -2.247 1.00 17.61 ? 267 HIS A O 1 ATOM 2095 C CB . HIS A 1 267 ? -21.762 -37.145 -4.182 1.00 16.23 ? 267 HIS A CB 1 ATOM 2096 C CG . HIS A 1 267 ? -21.384 -36.007 -3.293 1.00 16.97 ? 267 HIS A CG 1 ATOM 2097 N ND1 . HIS A 1 267 ? -22.213 -35.498 -2.311 1.00 19.82 ? 267 HIS A ND1 1 ATOM 2098 C CD2 . HIS A 1 267 ? -20.195 -35.388 -3.151 1.00 15.93 ? 267 HIS A CD2 1 ATOM 2099 C CE1 . HIS A 1 267 ? -21.545 -34.606 -1.610 1.00 15.78 ? 267 HIS A CE1 1 ATOM 2100 N NE2 . HIS A 1 267 ? -20.325 -34.498 -2.141 1.00 16.69 ? 267 HIS A NE2 1 ATOM 2101 N N . SER A 1 268 ? -21.258 -38.481 -1.189 1.00 18.20 ? 268 SER A N 1 ATOM 2102 C CA . SER A 1 268 ? -21.749 -38.813 0.146 1.00 17.55 ? 268 SER A CA 1 ATOM 2103 C C . SER A 1 268 ? -23.245 -38.449 0.364 1.00 17.51 ? 268 SER A C 1 ATOM 2104 O O . SER A 1 268 ? -23.959 -39.143 1.116 1.00 18.10 ? 268 SER A O 1 ATOM 2105 C CB . SER A 1 268 ? -20.899 -38.119 1.188 1.00 16.04 ? 268 SER A CB 1 ATOM 2106 O OG . SER A 1 268 ? -20.838 -36.705 0.909 1.00 20.11 ? 268 SER A OG 1 ATOM 2107 N N . SER A 1 269 ? -23.740 -37.408 -0.287 1.00 16.40 ? 269 SER A N 1 ATOM 2108 C CA . SER A 1 269 ? -25.060 -36.890 0.018 1.00 17.22 ? 269 SER A CA 1 ATOM 2109 C C . SER A 1 269 ? -26.129 -37.758 -0.620 1.00 18.75 ? 269 SER A C 1 ATOM 2110 O O . SER A 1 269 ? -27.308 -37.659 -0.230 1.00 17.14 ? 269 SER A O 1 ATOM 2111 C CB . SER A 1 269 ? -25.210 -35.482 -0.575 1.00 18.02 ? 269 SER A CB 1 ATOM 2112 O OG . SER A 1 269 ? -25.047 -35.576 -2.003 1.00 18.94 ? 269 SER A OG 1 ATOM 2113 N N . LEU A 1 270 ? -25.743 -38.575 -1.609 1.00 17.50 ? 270 LEU A N 1 ATOM 2114 C CA . LEU A 1 270 ? -26.694 -39.344 -2.447 1.00 20.81 ? 270 LEU A CA 1 ATOM 2115 C C . LEU A 1 270 ? -27.109 -40.684 -1.827 1.00 22.31 ? 270 LEU A C 1 ATOM 2116 O O . LEU A 1 270 ? -28.037 -41.353 -2.307 1.00 21.33 ? 270 LEU A O 1 ATOM 2117 C CB . LEU A 1 270 ? -26.085 -39.688 -3.804 1.00 20.75 ? 270 LEU A CB 1 ATOM 2118 C CG . LEU A 1 270 ? -25.803 -38.402 -4.547 1.00 19.58 ? 270 LEU A CG 1 ATOM 2119 C CD1 . LEU A 1 270 ? -25.118 -38.622 -5.900 1.00 18.75 ? 270 LEU A CD1 1 ATOM 2120 C CD2 . LEU A 1 270 ? -27.090 -37.721 -4.679 1.00 24.34 ? 270 LEU A CD2 1 ATOM 2121 N N . GLY A 1 271 ? -26.419 -41.065 -0.765 1.00 24.60 ? 271 GLY A N 1 ATOM 2122 C CA . GLY A 1 271 ? -26.569 -42.438 -0.259 1.00 28.32 ? 271 GLY A CA 1 ATOM 2123 C C . GLY A 1 271 ? -25.708 -43.179 -1.259 1.00 29.45 ? 271 GLY A C 1 ATOM 2124 O O . GLY A 1 271 ? -24.630 -42.658 -1.709 1.00 33.27 ? 271 GLY A O 1 ATOM 2125 N N . GLY A 1 272 ? -26.170 -44.362 -1.617 1.00 29.84 ? 272 GLY A N 1 ATOM 2126 C CA . GLY A 1 272 ? -25.580 -45.161 -2.676 1.00 28.53 ? 272 GLY A CA 1 ATOM 2127 C C . GLY A 1 272 ? -26.484 -45.137 -3.904 1.00 27.14 ? 272 GLY A C 1 ATOM 2128 O O . GLY A 1 272 ? -26.402 -46.035 -4.743 1.00 27.94 ? 272 GLY A O 1 ATOM 2129 N N . GLN A 1 273 ? -27.336 -44.109 -4.005 1.00 25.42 ? 273 GLN A N 1 ATOM 2130 C CA . GLN A 1 273 ? -28.084 -43.820 -5.245 1.00 24.54 ? 273 GLN A CA 1 ATOM 2131 C C . GLN A 1 273 ? -27.298 -42.866 -6.155 1.00 23.73 ? 273 GLN A C 1 ATOM 2132 O O . GLN A 1 273 ? -27.601 -41.674 -6.202 1.00 22.60 ? 273 GLN A O 1 ATOM 2133 C CB . GLN A 1 273 ? -29.386 -43.091 -4.953 1.00 25.59 ? 273 GLN A CB 1 ATOM 2134 C CG . GLN A 1 273 ? -30.368 -43.845 -4.094 1.00 30.86 ? 273 GLN A CG 1 ATOM 2135 C CD . GLN A 1 273 ? -31.766 -43.258 -4.208 1.00 37.26 ? 273 GLN A CD 1 ATOM 2136 O OE1 . GLN A 1 273 ? -32.318 -43.116 -5.321 1.00 38.33 ? 273 GLN A OE1 1 ATOM 2137 N NE2 . GLN A 1 273 ? -32.360 -42.925 -3.047 1.00 37.87 ? 273 GLN A NE2 1 ATOM 2138 N N . ASP A 1 274 ? -26.344 -43.399 -6.908 1.00 21.74 ? 274 ASP A N 1 ATOM 2139 C CA . ASP A 1 274 ? -25.528 -42.566 -7.780 1.00 21.75 ? 274 ASP A CA 1 ATOM 2140 C C . ASP A 1 274 ? -26.430 -41.858 -8.777 1.00 21.05 ? 274 ASP A C 1 ATOM 2141 O O . ASP A 1 274 ? -27.504 -42.365 -9.165 1.00 21.46 ? 274 ASP A O 1 ATOM 2142 C CB . ASP A 1 274 ? -24.587 -43.445 -8.621 1.00 20.80 ? 274 ASP A CB 1 ATOM 2143 C CG . ASP A 1 274 ? -23.587 -44.204 -7.791 1.00 21.89 ? 274 ASP A CG 1 ATOM 2144 O OD1 . ASP A 1 274 ? -23.485 -43.972 -6.548 1.00 24.31 ? 274 ASP A OD1 1 ATOM 2145 O OD2 . ASP A 1 274 ? -22.859 -45.028 -8.419 1.00 21.62 ? 274 ASP A OD2 1 ATOM 2146 N N . ILE A 1 275 ? -25.995 -40.727 -9.236 1.00 18.75 ? 275 ILE A N 1 ATOM 2147 C CA . ILE A 1 275 ? -26.594 -40.160 -10.440 1.00 20.90 ? 275 ILE A CA 1 ATOM 2148 C C . ILE A 1 275 ? -26.022 -40.862 -11.695 1.00 21.18 ? 275 ILE A C 1 ATOM 2149 O O . ILE A 1 275 ? -24.795 -41.061 -11.792 1.00 21.62 ? 275 ILE A O 1 ATOM 2150 C CB . ILE A 1 275 ? -26.237 -38.669 -10.528 1.00 21.72 ? 275 ILE A CB 1 ATOM 2151 C CG1 . ILE A 1 275 ? -26.819 -37.892 -9.323 1.00 22.67 ? 275 ILE A CG1 1 ATOM 2152 C CG2 . ILE A 1 275 ? -26.617 -38.119 -11.959 1.00 24.84 ? 275 ILE A CG2 1 ATOM 2153 C CD1 . ILE A 1 275 ? -26.572 -36.414 -9.375 1.00 29.41 ? 275 ILE A CD1 1 ATOM 2154 N N . ILE A 1 276 ? -26.877 -41.286 -12.631 1.00 20.66 ? 276 ILE A N 1 ATOM 2155 C CA . ILE A 1 276 ? -26.415 -41.861 -13.892 1.00 20.85 ? 276 ILE A CA 1 ATOM 2156 C C . ILE A 1 276 ? -27.157 -41.131 -14.993 1.00 21.83 ? 276 ILE A C 1 ATOM 2157 O O . ILE A 1 276 ? -28.372 -41.119 -15.034 1.00 19.27 ? 276 ILE A O 1 ATOM 2158 C CB . ILE A 1 276 ? -26.678 -43.386 -14.074 1.00 22.47 ? 276 ILE A CB 1 ATOM 2159 C CG1 . ILE A 1 276 ? -26.034 -44.170 -12.926 1.00 22.53 ? 276 ILE A CG1 1 ATOM 2160 C CG2 . ILE A 1 276 ? -26.072 -43.801 -15.438 1.00 21.49 ? 276 ILE A CG2 1 ATOM 2161 C CD1 . ILE A 1 276 ? -26.124 -45.778 -13.038 1.00 24.18 ? 276 ILE A CD1 1 ATOM 2162 N N . LEU A 1 277 ? -26.409 -40.473 -15.854 1.00 22.01 ? 277 LEU A N 1 ATOM 2163 C CA . LEU A 1 277 ? -26.995 -39.727 -16.965 1.00 23.70 ? 277 LEU A CA 1 ATOM 2164 C C . LEU A 1 277 ? -26.501 -40.265 -18.256 1.00 23.43 ? 277 LEU A C 1 ATOM 2165 O O . LEU A 1 277 ? -25.286 -40.216 -18.503 1.00 21.68 ? 277 LEU A O 1 ATOM 2166 C CB . LEU A 1 277 ? -26.550 -38.270 -16.952 1.00 23.62 ? 277 LEU A CB 1 ATOM 2167 C CG . LEU A 1 277 ? -27.106 -37.225 -15.998 1.00 27.50 ? 277 LEU A CG 1 ATOM 2168 C CD1 . LEU A 1 277 ? -26.425 -35.824 -16.248 1.00 29.29 ? 277 LEU A CD1 1 ATOM 2169 C CD2 . LEU A 1 277 ? -28.569 -37.108 -16.276 1.00 28.66 ? 277 LEU A CD2 1 ATOM 2170 N N . TYR A 1 278 ? -27.432 -40.694 -19.106 1.00 24.42 ? 278 TYR A N 1 ATOM 2171 C CA . TYR A 1 278 ? -27.102 -41.380 -20.360 1.00 25.99 ? 278 TYR A CA 1 ATOM 2172 C C . TYR A 1 278 ? -27.011 -40.359 -21.494 1.00 27.73 ? 278 TYR A C 1 ATOM 2173 O O . TYR A 1 278 ? -27.919 -39.574 -21.672 1.00 26.75 ? 278 TYR A O 1 ATOM 2174 C CB . TYR A 1 278 ? -28.172 -42.441 -20.695 1.00 25.48 ? 278 TYR A CB 1 ATOM 2175 C CG . TYR A 1 278 ? -28.192 -43.534 -19.675 1.00 23.73 ? 278 TYR A CG 1 ATOM 2176 C CD1 . TYR A 1 278 ? -29.086 -43.502 -18.615 1.00 25.49 ? 278 TYR A CD1 1 ATOM 2177 C CD2 . TYR A 1 278 ? -27.340 -44.644 -19.793 1.00 24.42 ? 278 TYR A CD2 1 ATOM 2178 C CE1 . TYR A 1 278 ? -29.112 -44.542 -17.649 1.00 25.14 ? 278 TYR A CE1 1 ATOM 2179 C CE2 . TYR A 1 278 ? -27.366 -45.679 -18.875 1.00 22.42 ? 278 TYR A CE2 1 ATOM 2180 C CZ . TYR A 1 278 ? -28.236 -45.609 -17.785 1.00 24.89 ? 278 TYR A CZ 1 ATOM 2181 O OH . TYR A 1 278 ? -28.234 -46.628 -16.852 1.00 27.73 ? 278 TYR A OH 1 ATOM 2182 N N . TRP A 1 279 ? -25.926 -40.392 -22.258 1.00 29.43 ? 279 TRP A N 1 ATOM 2183 C CA . TRP A 1 279 ? -25.848 -39.574 -23.430 1.00 33.54 ? 279 TRP A CA 1 ATOM 2184 C C . TRP A 1 279 ? -26.927 -39.961 -24.429 1.00 36.75 ? 279 TRP A C 1 ATOM 2185 O O . TRP A 1 279 ? -27.208 -41.142 -24.639 1.00 34.76 ? 279 TRP A O 1 ATOM 2186 C CB . TRP A 1 279 ? -24.498 -39.701 -24.124 1.00 33.15 ? 279 TRP A CB 1 ATOM 2187 C CG . TRP A 1 279 ? -24.446 -38.809 -25.309 1.00 34.09 ? 279 TRP A CG 1 ATOM 2188 C CD1 . TRP A 1 279 ? -24.786 -39.135 -26.597 1.00 35.30 ? 279 TRP A CD1 1 ATOM 2189 C CD2 . TRP A 1 279 ? -24.074 -37.422 -25.332 1.00 33.10 ? 279 TRP A CD2 1 ATOM 2190 N NE1 . TRP A 1 279 ? -24.635 -38.035 -27.413 1.00 34.09 ? 279 TRP A NE1 1 ATOM 2191 C CE2 . TRP A 1 279 ? -24.206 -36.974 -26.661 1.00 32.52 ? 279 TRP A CE2 1 ATOM 2192 C CE3 . TRP A 1 279 ? -23.661 -36.512 -24.356 1.00 33.96 ? 279 TRP A CE3 1 ATOM 2193 C CZ2 . TRP A 1 279 ? -23.922 -35.673 -27.042 1.00 32.43 ? 279 TRP A CZ2 1 ATOM 2194 C CZ3 . TRP A 1 279 ? -23.362 -35.198 -24.751 1.00 34.34 ? 279 TRP A CZ3 1 ATOM 2195 C CH2 . TRP A 1 279 ? -23.501 -34.804 -26.065 1.00 35.10 ? 279 TRP A CH2 1 ATOM 2196 N N . GLY A 1 280 ? -27.517 -38.947 -25.046 1.00 41.04 ? 280 GLY A N 1 ATOM 2197 C CA . GLY A 1 280 ? -28.452 -39.156 -26.167 1.00 48.02 ? 280 GLY A CA 1 ATOM 2198 C C . GLY A 1 280 ? -29.790 -39.638 -25.646 1.00 52.12 ? 280 GLY A C 1 ATOM 2199 O O . GLY A 1 280 ? -30.773 -39.776 -26.412 1.00 54.32 ? 280 GLY A O 1 ATOM 2200 N N . SER A 1 281 ? -29.835 -39.881 -24.333 1.00 54.80 ? 281 SER A N 1 ATOM 2201 C CA . SER A 1 281 ? -31.051 -40.359 -23.678 1.00 56.32 ? 281 SER A CA 1 ATOM 2202 C C . SER A 1 281 ? -32.255 -39.501 -24.037 1.00 56.92 ? 281 SER A C 1 ATOM 2203 O O . SER A 1 281 ? -32.284 -38.323 -23.686 1.00 57.40 ? 281 SER A O 1 ATOM 2204 C CB . SER A 1 281 ? -30.864 -40.342 -22.170 1.00 56.86 ? 281 SER A CB 1 ATOM 2205 O OG . SER A 1 281 ? -31.544 -41.453 -21.615 1.00 58.47 ? 281 SER A OG 1 ATOM 2206 N N . ILE B 2 1 ? 6.643 -10.452 -9.157 1.00 40.13 ? 1 ILE B N 1 ATOM 2207 C CA . ILE B 2 1 ? 6.367 -10.315 -10.616 1.00 39.20 ? 1 ILE B CA 1 ATOM 2208 C C . ILE B 2 1 ? 4.854 -10.370 -10.740 1.00 37.29 ? 1 ILE B C 1 ATOM 2209 O O . ILE B 2 1 ? 4.187 -10.961 -9.884 1.00 37.83 ? 1 ILE B O 1 ATOM 2210 C CB . ILE B 2 1 ? 6.994 -11.479 -11.435 1.00 39.83 ? 1 ILE B CB 1 ATOM 2211 C CG1 . ILE B 2 1 ? 6.658 -11.335 -12.939 1.00 40.88 ? 1 ILE B CG1 1 ATOM 2212 C CG2 . ILE B 2 1 ? 6.478 -12.855 -10.902 1.00 41.34 ? 1 ILE B CG2 1 ATOM 2213 C CD1 . ILE B 2 1 ? 7.754 -10.648 -13.806 1.00 41.71 ? 1 ILE B CD1 1 ATOM 2214 N N . GLN B 2 2 ? 4.313 -9.745 -11.780 1.00 35.29 ? 2 GLN B N 1 ATOM 2215 C CA . GLN B 2 2 ? 2.887 -9.795 -12.002 1.00 32.72 ? 2 GLN B CA 1 ATOM 2216 C C . GLN B 2 2 ? 2.523 -11.180 -12.463 1.00 30.95 ? 2 GLN B C 1 ATOM 2217 O O . GLN B 2 2 ? 3.289 -11.803 -13.181 1.00 30.53 ? 2 GLN B O 1 ATOM 2218 C CB . GLN B 2 2 ? 2.497 -8.866 -13.130 1.00 32.58 ? 2 GLN B CB 1 ATOM 2219 C CG . GLN B 2 2 ? 2.778 -7.452 -12.871 1.00 34.63 ? 2 GLN B CG 1 ATOM 2220 C CD . GLN B 2 2 ? 2.634 -6.684 -14.135 1.00 36.69 ? 2 GLN B CD 1 ATOM 2221 O OE1 . GLN B 2 2 ? 3.131 -7.102 -15.177 1.00 39.20 ? 2 GLN B OE1 1 ATOM 2222 N NE2 . GLN B 2 2 ? 1.940 -5.564 -14.073 1.00 38.15 ? 2 GLN B NE2 1 ATOM 2223 N N . LYS B 2 3 ? 1.319 -11.631 -12.120 1.00 27.87 ? 3 LYS B N 1 ATOM 2224 C CA . LYS B 2 3 ? 0.781 -12.860 -12.707 1.00 26.17 ? 3 LYS B CA 1 ATOM 2225 C C . LYS B 2 3 ? -0.592 -12.537 -13.300 1.00 23.93 ? 3 LYS B C 1 ATOM 2226 O O . LYS B 2 3 ? -1.385 -11.813 -12.670 1.00 19.59 ? 3 LYS B O 1 ATOM 2227 C CB . LYS B 2 3 ? 0.634 -13.948 -11.650 1.00 26.76 ? 3 LYS B CB 1 ATOM 2228 C CG . LYS B 2 3 ? 1.821 -14.028 -10.664 1.00 33.52 ? 3 LYS B CG 1 ATOM 2229 C CD . LYS B 2 3 ? 1.754 -15.326 -9.906 1.00 36.64 ? 3 LYS B CD 1 ATOM 2230 C CE . LYS B 2 3 ? 1.553 -16.448 -10.933 1.00 42.40 ? 3 LYS B CE 1 ATOM 2231 N NZ . LYS B 2 3 ? 0.800 -17.568 -10.356 1.00 46.45 ? 3 LYS B NZ 1 ATOM 2232 N N . THR B 2 4 ? -0.834 -13.053 -14.519 1.00 21.35 ? 4 THR B N 1 ATOM 2233 C CA . THR B 2 4 ? -2.050 -12.799 -15.309 1.00 21.12 ? 4 THR B CA 1 ATOM 2234 C C . THR B 2 4 ? -3.316 -13.547 -14.821 1.00 19.74 ? 4 THR B C 1 ATOM 2235 O O . THR B 2 4 ? -3.273 -14.751 -14.595 1.00 22.63 ? 4 THR B O 1 ATOM 2236 C CB . THR B 2 4 ? -1.757 -13.308 -16.787 1.00 18.26 ? 4 THR B CB 1 ATOM 2237 O OG1 . THR B 2 4 ? -0.564 -12.630 -17.213 1.00 23.48 ? 4 THR B OG1 1 ATOM 2238 C CG2 . THR B 2 4 ? -2.822 -12.970 -17.667 1.00 19.66 ? 4 THR B CG2 1 ATOM 2239 N N . PRO B 2 5 ? -4.450 -12.864 -14.674 1.00 19.36 ? 5 PRO B N 1 ATOM 2240 C CA . PRO B 2 5 ? -5.656 -13.647 -14.261 1.00 18.31 ? 5 PRO B CA 1 ATOM 2241 C C . PRO B 2 5 ? -6.182 -14.702 -15.238 1.00 20.27 ? 5 PRO B C 1 ATOM 2242 O O . PRO B 2 5 ? -6.125 -14.497 -16.459 1.00 20.56 ? 5 PRO B O 1 ATOM 2243 C CB . PRO B 2 5 ? -6.717 -12.572 -14.020 1.00 19.84 ? 5 PRO B CB 1 ATOM 2244 C CG . PRO B 2 5 ? -6.260 -11.380 -14.711 1.00 20.81 ? 5 PRO B CG 1 ATOM 2245 C CD . PRO B 2 5 ? -4.740 -11.434 -14.878 1.00 18.10 ? 5 PRO B CD 1 ATOM 2246 N N . GLN B 2 6 ? -6.628 -15.846 -14.693 1.00 18.74 ? 6 GLN B N 1 ATOM 2247 C CA . GLN B 2 6 ? -7.382 -16.827 -15.439 1.00 19.98 ? 6 GLN B CA 1 ATOM 2248 C C . GLN B 2 6 ? -8.846 -16.561 -15.099 1.00 18.66 ? 6 GLN B C 1 ATOM 2249 O O . GLN B 2 6 ? -9.167 -16.212 -13.944 1.00 17.82 ? 6 GLN B O 1 ATOM 2250 C CB . GLN B 2 6 ? -6.943 -18.229 -14.993 1.00 20.42 ? 6 GLN B CB 1 ATOM 2251 C CG . GLN B 2 6 ? -7.960 -19.309 -15.340 1.00 31.64 ? 6 GLN B CG 1 ATOM 2252 C CD . GLN B 2 6 ? -7.347 -20.684 -15.246 1.00 41.01 ? 6 GLN B CD 1 ATOM 2253 O OE1 . GLN B 2 6 ? -6.179 -20.807 -14.860 1.00 46.82 ? 6 GLN B OE1 1 ATOM 2254 N NE2 . GLN B 2 6 ? -8.116 -21.731 -15.606 1.00 41.42 ? 6 GLN B NE2 1 ATOM 2255 N N . ILE B 2 7 ? -9.738 -16.792 -16.082 1.00 17.18 ? 7 ILE B N 1 ATOM 2256 C CA . ILE B 2 7 ? -11.164 -16.523 -15.910 1.00 17.03 ? 7 ILE B CA 1 ATOM 2257 C C . ILE B 2 7 ? -12.014 -17.728 -16.349 1.00 17.50 ? 7 ILE B C 1 ATOM 2258 O O . ILE B 2 7 ? -11.826 -18.257 -17.499 1.00 17.01 ? 7 ILE B O 1 ATOM 2259 C CB . ILE B 2 7 ? -11.545 -15.329 -16.819 1.00 15.92 ? 7 ILE B CB 1 ATOM 2260 C CG1 . ILE B 2 7 ? -10.688 -14.094 -16.443 1.00 17.34 ? 7 ILE B CG1 1 ATOM 2261 C CG2 . ILE B 2 7 ? -13.035 -15.042 -16.730 1.00 17.91 ? 7 ILE B CG2 1 ATOM 2262 C CD1 . ILE B 2 7 ? -10.758 -13.041 -17.577 1.00 22.19 ? 7 ILE B CD1 1 ATOM 2263 N N . GLN B 2 8 ? -12.879 -18.221 -15.458 1.00 17.49 ? 8 GLN B N 1 ATOM 2264 C CA . GLN B 2 8 ? -13.737 -19.385 -15.786 1.00 16.92 ? 8 GLN B CA 1 ATOM 2265 C C . GLN B 2 8 ? -15.151 -18.947 -15.541 1.00 15.52 ? 8 GLN B C 1 ATOM 2266 O O . GLN B 2 8 ? -15.412 -18.310 -14.508 1.00 16.56 ? 8 GLN B O 1 ATOM 2267 C CB . GLN B 2 8 ? -13.383 -20.668 -15.000 1.00 17.50 ? 8 GLN B CB 1 ATOM 2268 C CG . GLN B 2 8 ? -11.998 -21.213 -15.480 1.00 17.92 ? 8 GLN B CG 1 ATOM 2269 C CD . GLN B 2 8 ? -11.428 -22.158 -14.574 1.00 16.80 ? 8 GLN B CD 1 ATOM 2270 O OE1 . GLN B 2 8 ? -11.536 -23.356 -14.849 1.00 18.36 ? 8 GLN B OE1 1 ATOM 2271 N NE2 . GLN B 2 8 ? -10.835 -21.691 -13.423 1.00 18.10 ? 8 GLN B NE2 1 ATOM 2272 N N . VAL B 2 9 ? -16.030 -19.284 -16.487 1.00 13.23 ? 9 VAL B N 1 ATOM 2273 C CA . VAL B 2 9 ? -17.428 -18.843 -16.414 1.00 15.32 ? 9 VAL B CA 1 ATOM 2274 C C . VAL B 2 9 ? -18.351 -20.052 -16.518 1.00 14.61 ? 9 VAL B C 1 ATOM 2275 O O . VAL B 2 9 ? -18.264 -20.801 -17.483 1.00 14.85 ? 9 VAL B O 1 ATOM 2276 C CB . VAL B 2 9 ? -17.761 -17.849 -17.594 1.00 15.00 ? 9 VAL B CB 1 ATOM 2277 C CG1 . VAL B 2 9 ? -19.248 -17.308 -17.521 1.00 17.41 ? 9 VAL B CG1 1 ATOM 2278 C CG2 . VAL B 2 9 ? -16.808 -16.617 -17.528 1.00 15.46 ? 9 VAL B CG2 1 ATOM 2279 N N . TYR B 2 10 ? -19.255 -20.210 -15.561 1.00 14.75 ? 10 TYR B N 1 ATOM 2280 C CA . TYR B 2 10 ? -20.003 -21.419 -15.434 1.00 14.30 ? 10 TYR B CA 1 ATOM 2281 C C . TYR B 2 10 ? -21.282 -21.149 -14.647 1.00 14.74 ? 10 TYR B C 1 ATOM 2282 O O . TYR B 2 10 ? -21.389 -20.168 -13.900 1.00 14.93 ? 10 TYR B O 1 ATOM 2283 C CB . TYR B 2 10 ? -19.182 -22.555 -14.768 1.00 12.41 ? 10 TYR B CB 1 ATOM 2284 C CG . TYR B 2 10 ? -18.536 -22.111 -13.449 1.00 14.60 ? 10 TYR B CG 1 ATOM 2285 C CD1 . TYR B 2 10 ? -17.420 -21.312 -13.467 1.00 14.19 ? 10 TYR B CD1 1 ATOM 2286 C CD2 . TYR B 2 10 ? -19.042 -22.512 -12.196 1.00 13.38 ? 10 TYR B CD2 1 ATOM 2287 C CE1 . TYR B 2 10 ? -16.754 -20.891 -12.219 1.00 17.22 ? 10 TYR B CE1 1 ATOM 2288 C CE2 . TYR B 2 10 ? -18.354 -22.166 -10.997 1.00 15.92 ? 10 TYR B CE2 1 ATOM 2289 C CZ . TYR B 2 10 ? -17.281 -21.343 -11.030 1.00 16.28 ? 10 TYR B CZ 1 ATOM 2290 O OH . TYR B 2 10 ? -16.658 -20.930 -9.876 1.00 15.69 ? 10 TYR B OH 1 ATOM 2291 N N A SER B 2 11 ? -22.266 -22.020 -14.831 0.50 15.92 ? 11 SER B N 1 ATOM 2292 N N B SER B 2 11 ? -22.251 -22.039 -14.822 0.50 16.05 ? 11 SER B N 1 ATOM 2293 C CA A SER B 2 11 ? -23.568 -21.794 -14.240 0.50 16.69 ? 11 SER B CA 1 ATOM 2294 C CA B SER B 2 11 ? -23.536 -21.868 -14.187 0.50 16.84 ? 11 SER B CA 1 ATOM 2295 C C A SER B 2 11 ? -23.820 -22.698 -13.040 0.50 16.10 ? 11 SER B C 1 ATOM 2296 C C B SER B 2 11 ? -23.647 -22.655 -12.926 0.50 16.49 ? 11 SER B C 1 ATOM 2297 O O A SER B 2 11 ? -23.415 -23.856 -13.001 0.50 16.18 ? 11 SER B O 1 ATOM 2298 O O B SER B 2 11 ? -23.007 -23.707 -12.749 0.50 16.68 ? 11 SER B O 1 ATOM 2299 C CB A SER B 2 11 ? -24.685 -21.963 -15.297 0.50 16.58 ? 11 SER B CB 1 ATOM 2300 C CB B SER B 2 11 ? -24.664 -22.340 -15.104 0.50 17.00 ? 11 SER B CB 1 ATOM 2301 O OG A SER B 2 11 ? -24.830 -23.318 -15.719 0.50 17.51 ? 11 SER B OG 1 ATOM 2302 O OG B SER B 2 11 ? -24.563 -21.732 -16.358 0.50 17.22 ? 11 SER B OG 1 ATOM 2303 N N . ARG B 2 12 ? -24.497 -22.136 -12.034 1.00 16.75 ? 12 ARG B N 1 ATOM 2304 C CA . ARG B 2 12 ? -24.805 -22.830 -10.811 1.00 14.95 ? 12 ARG B CA 1 ATOM 2305 C C . ARG B 2 12 ? -25.721 -24.029 -11.045 1.00 14.83 ? 12 ARG B C 1 ATOM 2306 O O . ARG B 2 12 ? -25.489 -25.029 -10.390 1.00 13.68 ? 12 ARG B O 1 ATOM 2307 C CB . ARG B 2 12 ? -25.425 -21.882 -9.782 1.00 16.12 ? 12 ARG B CB 1 ATOM 2308 C CG . ARG B 2 12 ? -25.965 -22.541 -8.502 1.00 13.33 ? 12 ARG B CG 1 ATOM 2309 C CD . ARG B 2 12 ? -24.835 -23.280 -7.697 1.00 11.71 ? 12 ARG B CD 1 ATOM 2310 N NE . ARG B 2 12 ? -25.344 -23.810 -6.435 1.00 12.18 ? 12 ARG B NE 1 ATOM 2311 C CZ . ARG B 2 12 ? -25.975 -24.993 -6.338 1.00 11.37 ? 12 ARG B CZ 1 ATOM 2312 N NH1 . ARG B 2 12 ? -26.196 -25.741 -7.419 1.00 9.89 ? 12 ARG B NH1 1 ATOM 2313 N NH2 . ARG B 2 12 ? -26.442 -25.406 -5.191 1.00 15.15 ? 12 ARG B NH2 1 ATOM 2314 N N . HIS B 2 13 ? -26.744 -23.907 -11.928 1.00 14.99 ? 13 HIS B N 1 ATOM 2315 C CA . HIS B 2 13 ? -27.733 -24.965 -12.188 1.00 14.89 ? 13 HIS B CA 1 ATOM 2316 C C . HIS B 2 13 ? -27.640 -25.301 -13.694 1.00 15.41 ? 13 HIS B C 1 ATOM 2317 O O . HIS B 2 13 ? -27.062 -24.512 -14.494 1.00 17.72 ? 13 HIS B O 1 ATOM 2318 C CB . HIS B 2 13 ? -29.182 -24.486 -11.837 1.00 16.23 ? 13 HIS B CB 1 ATOM 2319 C CG . HIS B 2 13 ? -29.336 -24.032 -10.409 1.00 17.74 ? 13 HIS B CG 1 ATOM 2320 N ND1 . HIS B 2 13 ? -29.408 -24.914 -9.352 1.00 20.13 ? 13 HIS B ND1 1 ATOM 2321 C CD2 . HIS B 2 13 ? -29.363 -22.791 -9.861 1.00 17.31 ? 13 HIS B CD2 1 ATOM 2322 C CE1 . HIS B 2 13 ? -29.506 -24.245 -8.215 1.00 19.02 ? 13 HIS B CE1 1 ATOM 2323 N NE2 . HIS B 2 13 ? -29.485 -22.952 -8.504 1.00 18.84 ? 13 HIS B NE2 1 ATOM 2324 N N . PRO B 2 14 ? -28.204 -26.448 -14.112 1.00 16.78 ? 14 PRO B N 1 ATOM 2325 C CA . PRO B 2 14 ? -28.178 -26.730 -15.582 1.00 16.31 ? 14 PRO B CA 1 ATOM 2326 C C . PRO B 2 14 ? -28.780 -25.548 -16.326 1.00 17.87 ? 14 PRO B C 1 ATOM 2327 O O . PRO B 2 14 ? -29.859 -25.105 -15.965 1.00 15.34 ? 14 PRO B O 1 ATOM 2328 C CB . PRO B 2 14 ? -29.092 -27.960 -15.758 1.00 17.05 ? 14 PRO B CB 1 ATOM 2329 C CG . PRO B 2 14 ? -29.166 -28.613 -14.377 1.00 16.03 ? 14 PRO B CG 1 ATOM 2330 C CD . PRO B 2 14 ? -28.817 -27.522 -13.330 1.00 14.19 ? 14 PRO B CD 1 ATOM 2331 N N . PRO B 2 15 ? -28.087 -25.013 -17.348 1.00 20.67 ? 15 PRO B N 1 ATOM 2332 C CA . PRO B 2 15 ? -28.693 -23.863 -18.063 1.00 22.72 ? 15 PRO B CA 1 ATOM 2333 C C . PRO B 2 15 ? -29.817 -24.339 -18.944 1.00 24.98 ? 15 PRO B C 1 ATOM 2334 O O . PRO B 2 15 ? -29.633 -25.173 -19.830 1.00 28.90 ? 15 PRO B O 1 ATOM 2335 C CB . PRO B 2 15 ? -27.556 -23.281 -18.874 1.00 23.66 ? 15 PRO B CB 1 ATOM 2336 C CG . PRO B 2 15 ? -26.547 -24.445 -19.048 1.00 25.74 ? 15 PRO B CG 1 ATOM 2337 C CD . PRO B 2 15 ? -26.772 -25.412 -17.882 1.00 20.66 ? 15 PRO B CD 1 ATOM 2338 N N . GLU B 2 16 ? -30.997 -23.849 -18.661 1.00 24.24 ? 16 GLU B N 1 ATOM 2339 C CA . GLU B 2 16 ? -32.193 -24.239 -19.363 1.00 26.57 ? 16 GLU B CA 1 ATOM 2340 C C . GLU B 2 16 ? -32.824 -22.903 -19.790 1.00 25.41 ? 16 GLU B C 1 ATOM 2341 O O . GLU B 2 16 ? -32.946 -21.978 -18.990 1.00 25.94 ? 16 GLU B O 1 ATOM 2342 C CB . GLU B 2 16 ? -33.045 -25.040 -18.388 1.00 24.85 ? 16 GLU B CB 1 ATOM 2343 C CG . GLU B 2 16 ? -34.443 -25.380 -18.748 1.00 33.28 ? 16 GLU B CG 1 ATOM 2344 C CD . GLU B 2 16 ? -35.094 -26.160 -17.608 1.00 38.91 ? 16 GLU B CD 1 ATOM 2345 O OE1 . GLU B 2 16 ? -34.365 -26.505 -16.636 1.00 44.04 ? 16 GLU B OE1 1 ATOM 2346 O OE2 . GLU B 2 16 ? -36.312 -26.431 -17.674 1.00 42.90 ? 16 GLU B OE2 1 ATOM 2347 N N . ASN B 2 17 ? -33.143 -22.763 -21.076 1.00 25.37 ? 17 ASN B N 1 ATOM 2348 C CA . ASN B 2 17 ? -33.545 -21.431 -21.599 1.00 24.14 ? 17 ASN B CA 1 ATOM 2349 C C . ASN B 2 17 ? -34.776 -20.926 -20.864 1.00 22.82 ? 17 ASN B C 1 ATOM 2350 O O . ASN B 2 17 ? -35.687 -21.704 -20.621 1.00 21.02 ? 17 ASN B O 1 ATOM 2351 C CB . ASN B 2 17 ? -33.927 -21.538 -23.077 1.00 26.06 ? 17 ASN B CB 1 ATOM 2352 C CG . ASN B 2 17 ? -32.738 -21.784 -23.989 1.00 29.03 ? 17 ASN B CG 1 ATOM 2353 O OD1 . ASN B 2 17 ? -31.670 -21.208 -23.825 1.00 31.72 ? 17 ASN B OD1 1 ATOM 2354 N ND2 . ASN B 2 17 ? -32.975 -22.582 -25.041 1.00 35.60 ? 17 ASN B ND2 1 ATOM 2355 N N . GLY B 2 18 ? -34.839 -19.633 -20.544 1.00 20.39 ? 18 GLY B N 1 ATOM 2356 C CA . GLY B 2 18 ? -36.032 -19.111 -19.874 1.00 19.27 ? 18 GLY B CA 1 ATOM 2357 C C . GLY B 2 18 ? -36.091 -19.395 -18.376 1.00 19.87 ? 18 GLY B C 1 ATOM 2358 O O . GLY B 2 18 ? -36.975 -18.907 -17.690 1.00 18.41 ? 18 GLY B O 1 ATOM 2359 N N . LYS B 2 19 ? -35.162 -20.190 -17.834 1.00 19.73 ? 19 LYS B N 1 ATOM 2360 C CA . LYS B 2 19 ? -35.206 -20.478 -16.395 1.00 20.82 ? 19 LYS B CA 1 ATOM 2361 C C . LYS B 2 19 ? -34.136 -19.684 -15.615 1.00 20.34 ? 19 LYS B C 1 ATOM 2362 O O . LYS B 2 19 ? -32.964 -19.745 -15.952 1.00 19.63 ? 19 LYS B O 1 ATOM 2363 C CB . LYS B 2 19 ? -35.050 -21.990 -16.206 1.00 21.55 ? 19 LYS B CB 1 ATOM 2364 C CG . LYS B 2 19 ? -35.094 -22.497 -14.794 1.00 28.61 ? 19 LYS B CG 1 ATOM 2365 C CD . LYS B 2 19 ? -35.397 -24.000 -14.818 1.00 34.00 ? 19 LYS B CD 1 ATOM 2366 C CE . LYS B 2 19 ? -34.566 -24.746 -13.785 1.00 36.12 ? 19 LYS B CE 1 ATOM 2367 N NZ . LYS B 2 19 ? -35.304 -24.892 -12.490 1.00 36.98 ? 19 LYS B NZ 1 ATOM 2368 N N . PRO B 2 20 ? -34.545 -18.918 -14.596 1.00 18.73 ? 20 PRO B N 1 ATOM 2369 C CA . PRO B 2 20 ? -33.629 -18.124 -13.787 1.00 18.28 ? 20 PRO B CA 1 ATOM 2370 C C . PRO B 2 20 ? -32.575 -18.997 -13.163 1.00 17.43 ? 20 PRO B C 1 ATOM 2371 O O . PRO B 2 20 ? -32.907 -20.084 -12.675 1.00 16.31 ? 20 PRO B O 1 ATOM 2372 C CB . PRO B 2 20 ? -34.513 -17.575 -12.676 1.00 16.71 ? 20 PRO B CB 1 ATOM 2373 C CG . PRO B 2 20 ? -35.881 -17.462 -13.377 1.00 18.91 ? 20 PRO B CG 1 ATOM 2374 C CD . PRO B 2 20 ? -35.950 -18.761 -14.154 1.00 20.33 ? 20 PRO B CD 1 ATOM 2375 N N . ASN B 2 21 ? -31.333 -18.511 -13.173 1.00 15.26 ? 21 ASN B N 1 ATOM 2376 C CA . ASN B 2 21 ? -30.191 -19.308 -12.729 1.00 14.86 ? 21 ASN B CA 1 ATOM 2377 C C . ASN B 2 21 ? -29.159 -18.316 -12.163 1.00 14.64 ? 21 ASN B C 1 ATOM 2378 O O . ASN B 2 21 ? -29.466 -17.099 -12.000 1.00 13.65 ? 21 ASN B O 1 ATOM 2379 C CB . ASN B 2 21 ? -29.731 -20.000 -14.016 1.00 12.66 ? 21 ASN B CB 1 ATOM 2380 C CG . ASN B 2 21 ? -28.758 -21.236 -13.793 1.00 12.97 ? 21 ASN B CG 1 ATOM 2381 O OD1 . ASN B 2 21 ? -27.973 -21.337 -12.831 1.00 13.95 ? 21 ASN B OD1 1 ATOM 2382 N ND2 . ASN B 2 21 ? -28.793 -22.119 -14.798 1.00 12.08 ? 21 ASN B ND2 1 ATOM 2383 N N . ILE B 2 22 ? -27.939 -18.787 -11.912 1.00 14.39 ? 22 ILE B N 1 ATOM 2384 C CA . ILE B 2 22 ? -26.848 -17.955 -11.393 1.00 13.38 ? 22 ILE B CA 1 ATOM 2385 C C . ILE B 2 22 ? -25.652 -18.176 -12.262 1.00 13.46 ? 22 ILE B C 1 ATOM 2386 O O . ILE B 2 22 ? -25.307 -19.359 -12.492 1.00 13.41 ? 22 ILE B O 1 ATOM 2387 C CB . ILE B 2 22 ? -26.510 -18.301 -9.884 1.00 13.43 ? 22 ILE B CB 1 ATOM 2388 C CG1 . ILE B 2 22 ? -27.756 -17.940 -9.040 1.00 17.07 ? 22 ILE B CG1 1 ATOM 2389 C CG2 . ILE B 2 22 ? -25.190 -17.525 -9.450 1.00 11.54 ? 22 ILE B CG2 1 ATOM 2390 C CD1 . ILE B 2 22 ? -27.808 -18.434 -7.553 1.00 25.99 ? 22 ILE B CD1 1 ATOM 2391 N N . LEU B 2 23 ? -25.018 -17.116 -12.745 1.00 12.06 ? 23 LEU B N 1 ATOM 2392 C CA . LEU B 2 23 ? -23.778 -17.259 -13.536 1.00 13.38 ? 23 LEU B CA 1 ATOM 2393 C C . LEU B 2 23 ? -22.597 -16.867 -12.683 1.00 15.03 ? 23 LEU B C 1 ATOM 2394 O O . LEU B 2 23 ? -22.654 -15.818 -12.017 1.00 15.56 ? 23 LEU B O 1 ATOM 2395 C CB . LEU B 2 23 ? -23.778 -16.471 -14.872 1.00 15.02 ? 23 LEU B CB 1 ATOM 2396 C CG . LEU B 2 23 ? -22.649 -16.773 -15.931 1.00 14.84 ? 23 LEU B CG 1 ATOM 2397 C CD1 . LEU B 2 23 ? -22.721 -18.241 -16.495 1.00 16.72 ? 23 LEU B CD1 1 ATOM 2398 C CD2 . LEU B 2 23 ? -22.637 -15.638 -17.075 1.00 21.07 ? 23 LEU B CD2 1 ATOM 2399 N N . ASN B 2 24 ? -21.564 -17.729 -12.673 1.00 14.56 ? 24 ASN B N 1 ATOM 2400 C CA . ASN B 2 24 ? -20.333 -17.478 -11.876 1.00 14.79 ? 24 ASN B CA 1 ATOM 2401 C C . ASN B 2 24 ? -19.166 -17.079 -12.800 1.00 16.85 ? 24 ASN B C 1 ATOM 2402 O O . ASN B 2 24 ? -19.040 -17.641 -13.901 1.00 13.78 ? 24 ASN B O 1 ATOM 2403 C CB . ASN B 2 24 ? -19.929 -18.760 -11.110 1.00 14.07 ? 24 ASN B CB 1 ATOM 2404 C CG . ASN B 2 24 ? -21.012 -19.221 -10.138 1.00 17.06 ? 24 ASN B CG 1 ATOM 2405 O OD1 . ASN B 2 24 ? -21.581 -18.448 -9.390 1.00 17.11 ? 24 ASN B OD1 1 ATOM 2406 N ND2 . ASN B 2 24 ? -21.229 -20.541 -10.089 1.00 19.25 ? 24 ASN B ND2 1 ATOM 2407 N N . CYS B 2 25 ? -18.334 -16.116 -12.364 1.00 15.43 ? 25 CYS B N 1 ATOM 2408 C CA . CYS B 2 25 ? -17.064 -15.826 -13.006 1.00 15.37 ? 25 CYS B CA 1 ATOM 2409 C C . CYS B 2 25 ? -15.971 -15.956 -11.947 1.00 16.04 ? 25 CYS B C 1 ATOM 2410 O O . CYS B 2 25 ? -15.924 -15.187 -10.974 1.00 16.42 ? 25 CYS B O 1 ATOM 2411 C CB . CYS B 2 25 ? -17.053 -14.398 -13.540 1.00 14.75 ? 25 CYS B CB 1 ATOM 2412 S SG . CYS B 2 25 ? -15.488 -13.985 -14.210 1.00 20.47 ? 25 CYS B SG 1 ATOM 2413 N N . TYR B 2 26 ? -15.141 -16.996 -12.077 1.00 14.33 ? 26 TYR B N 1 ATOM 2414 C CA . TYR B 2 26 ? -14.111 -17.234 -11.077 1.00 14.50 ? 26 TYR B CA 1 ATOM 2415 C C . TYR B 2 26 ? -12.779 -16.801 -11.638 1.00 14.78 ? 26 TYR B C 1 ATOM 2416 O O . TYR B 2 26 ? -12.358 -17.250 -12.726 1.00 16.62 ? 26 TYR B O 1 ATOM 2417 C CB . TYR B 2 26 ? -14.125 -18.722 -10.801 1.00 13.40 ? 26 TYR B CB 1 ATOM 2418 C CG . TYR B 2 26 ? -13.191 -19.159 -9.712 1.00 15.56 ? 26 TYR B CG 1 ATOM 2419 C CD1 . TYR B 2 26 ? -13.161 -18.555 -8.486 1.00 17.40 ? 26 TYR B CD1 1 ATOM 2420 C CD2 . TYR B 2 26 ? -12.455 -20.378 -9.896 1.00 18.78 ? 26 TYR B CD2 1 ATOM 2421 C CE1 . TYR B 2 26 ? -12.276 -19.036 -7.459 1.00 21.56 ? 26 TYR B CE1 1 ATOM 2422 C CE2 . TYR B 2 26 ? -11.628 -20.841 -8.870 1.00 19.56 ? 26 TYR B CE2 1 ATOM 2423 C CZ . TYR B 2 26 ? -11.547 -20.182 -7.695 1.00 20.87 ? 26 TYR B CZ 1 ATOM 2424 O OH . TYR B 2 26 ? -10.696 -20.701 -6.697 1.00 25.98 ? 26 TYR B OH 1 ATOM 2425 N N . VAL B 2 27 ? -12.122 -15.868 -10.950 1.00 14.82 ? 27 VAL B N 1 ATOM 2426 C CA . VAL B 2 27 ? -10.922 -15.257 -11.487 1.00 13.93 ? 27 VAL B CA 1 ATOM 2427 C C . VAL B 2 27 ? -9.788 -15.637 -10.579 1.00 16.04 ? 27 VAL B C 1 ATOM 2428 O O . VAL B 2 27 ? -9.905 -15.466 -9.373 1.00 17.00 ? 27 VAL B O 1 ATOM 2429 C CB . VAL B 2 27 ? -11.095 -13.730 -11.473 1.00 11.98 ? 27 VAL B CB 1 ATOM 2430 C CG1 . VAL B 2 27 ? -9.870 -13.024 -12.195 1.00 13.39 ? 27 VAL B CG1 1 ATOM 2431 C CG2 . VAL B 2 27 ? -12.350 -13.405 -12.322 1.00 15.45 ? 27 VAL B CG2 1 ATOM 2432 N N . THR B 2 28 ? -8.702 -16.222 -11.129 1.00 17.70 ? 28 THR B N 1 ATOM 2433 C CA . THR B 2 28 ? -7.676 -16.832 -10.222 1.00 16.01 ? 28 THR B CA 1 ATOM 2434 C C . THR B 2 28 ? -6.266 -16.524 -10.736 1.00 17.70 ? 28 THR B C 1 ATOM 2435 O O . THR B 2 28 ? -6.115 -15.917 -11.869 1.00 18.05 ? 28 THR B O 1 ATOM 2436 C CB . THR B 2 28 ? -7.827 -18.367 -10.152 1.00 17.10 ? 28 THR B CB 1 ATOM 2437 O OG1 . THR B 2 28 ? -7.639 -18.878 -11.489 1.00 17.08 ? 28 THR B OG1 1 ATOM 2438 C CG2 . THR B 2 28 ? -9.207 -18.846 -9.622 1.00 16.24 ? 28 THR B CG2 1 ATOM 2439 N N . GLN B 2 29 ? -5.253 -16.909 -9.934 1.00 16.58 ? 29 GLN B N 1 ATOM 2440 C CA . GLN B 2 29 ? -3.824 -16.906 -10.379 1.00 18.73 ? 29 GLN B CA 1 ATOM 2441 C C . GLN B 2 29 ? -3.275 -15.532 -10.664 1.00 19.66 ? 29 GLN B C 1 ATOM 2442 O O . GLN B 2 29 ? -2.330 -15.413 -11.464 1.00 21.91 ? 29 GLN B O 1 ATOM 2443 C CB . GLN B 2 29 ? -3.594 -17.868 -11.598 1.00 20.20 ? 29 GLN B CB 1 ATOM 2444 C CG . GLN B 2 29 ? -3.822 -19.313 -11.236 1.00 23.59 ? 29 GLN B CG 1 ATOM 2445 C CD . GLN B 2 29 ? -2.790 -19.750 -10.172 1.00 35.97 ? 29 GLN B CD 1 ATOM 2446 O OE1 . GLN B 2 29 ? -1.641 -19.225 -10.111 1.00 37.01 ? 29 GLN B OE1 1 ATOM 2447 N NE2 . GLN B 2 29 ? -3.184 -20.696 -9.325 1.00 36.74 ? 29 GLN B NE2 1 ATOM 2448 N N . PHE B 2 30 ? -3.844 -14.475 -10.092 1.00 17.90 ? 30 PHE B N 1 ATOM 2449 C CA . PHE B 2 30 ? -3.379 -13.128 -10.410 1.00 16.59 ? 30 PHE B CA 1 ATOM 2450 C C . PHE B 2 30 ? -2.558 -12.474 -9.306 1.00 18.44 ? 30 PHE B C 1 ATOM 2451 O O . PHE B 2 30 ? -2.729 -12.783 -8.159 1.00 17.56 ? 30 PHE B O 1 ATOM 2452 C CB . PHE B 2 30 ? -4.487 -12.119 -10.862 1.00 18.02 ? 30 PHE B CB 1 ATOM 2453 C CG . PHE B 2 30 ? -5.637 -11.922 -9.862 1.00 13.30 ? 30 PHE B CG 1 ATOM 2454 C CD1 . PHE B 2 30 ? -6.692 -12.843 -9.838 1.00 15.33 ? 30 PHE B CD1 1 ATOM 2455 C CD2 . PHE B 2 30 ? -5.627 -10.836 -8.921 1.00 11.08 ? 30 PHE B CD2 1 ATOM 2456 C CE1 . PHE B 2 30 ? -7.781 -12.666 -8.910 1.00 12.42 ? 30 PHE B CE1 1 ATOM 2457 C CE2 . PHE B 2 30 ? -6.680 -10.626 -8.061 1.00 13.79 ? 30 PHE B CE2 1 ATOM 2458 C CZ . PHE B 2 30 ? -7.762 -11.543 -8.023 1.00 19.00 ? 30 PHE B CZ 1 ATOM 2459 N N . HIS B 2 31 ? -1.644 -11.590 -9.689 1.00 18.08 ? 31 HIS B N 1 ATOM 2460 C CA . HIS B 2 31 ? -0.932 -10.759 -8.676 1.00 18.50 ? 31 HIS B CA 1 ATOM 2461 C C . HIS B 2 31 ? -0.431 -9.580 -9.453 1.00 19.41 ? 31 HIS B C 1 ATOM 2462 O O . HIS B 2 31 ? 0.128 -9.784 -10.567 1.00 18.59 ? 31 HIS B O 1 ATOM 2463 C CB . HIS B 2 31 ? 0.300 -11.515 -8.100 1.00 19.16 ? 31 HIS B CB 1 ATOM 2464 C CG . HIS B 2 31 ? 1.069 -10.736 -7.060 1.00 23.18 ? 31 HIS B CG 1 ATOM 2465 N ND1 . HIS B 2 31 ? 0.860 -10.908 -5.711 1.00 20.32 ? 31 HIS B ND1 1 ATOM 2466 C CD2 . HIS B 2 31 ? 2.014 -9.768 -7.178 1.00 25.23 ? 31 HIS B CD2 1 ATOM 2467 C CE1 . HIS B 2 31 ? 1.642 -10.093 -5.022 1.00 20.57 ? 31 HIS B CE1 1 ATOM 2468 N NE2 . HIS B 2 31 ? 2.355 -9.381 -5.889 1.00 27.63 ? 31 HIS B NE2 1 ATOM 2469 N N . PRO B 2 32 ? -0.547 -8.366 -8.879 1.00 20.26 ? 32 PRO B N 1 ATOM 2470 C CA . PRO B 2 32 ? -1.033 -8.008 -7.553 1.00 19.66 ? 32 PRO B CA 1 ATOM 2471 C C . PRO B 2 32 ? -2.544 -8.036 -7.448 1.00 19.21 ? 32 PRO B C 1 ATOM 2472 O O . PRO B 2 32 ? -3.262 -8.249 -8.466 1.00 21.48 ? 32 PRO B O 1 ATOM 2473 C CB . PRO B 2 32 ? -0.539 -6.568 -7.356 1.00 19.59 ? 32 PRO B CB 1 ATOM 2474 C CG . PRO B 2 32 ? -0.568 -6.005 -8.739 1.00 22.55 ? 32 PRO B CG 1 ATOM 2475 C CD . PRO B 2 32 ? -0.229 -7.182 -9.691 1.00 21.04 ? 32 PRO B CD 1 ATOM 2476 N N . PRO B 2 33 ? -3.056 -7.849 -6.234 1.00 18.12 ? 33 PRO B N 1 ATOM 2477 C CA . PRO B 2 33 ? -4.476 -8.128 -5.994 1.00 17.82 ? 33 PRO B CA 1 ATOM 2478 C C . PRO B 2 33 ? -5.442 -7.039 -6.555 1.00 17.66 ? 33 PRO B C 1 ATOM 2479 O O . PRO B 2 33 ? -6.624 -7.323 -6.802 1.00 20.26 ? 33 PRO B O 1 ATOM 2480 C CB . PRO B 2 33 ? -4.556 -8.211 -4.484 1.00 16.21 ? 33 PRO B CB 1 ATOM 2481 C CG . PRO B 2 33 ? -3.393 -7.404 -4.009 1.00 18.24 ? 33 PRO B CG 1 ATOM 2482 C CD . PRO B 2 33 ? -2.312 -7.566 -4.996 1.00 19.21 ? 33 PRO B CD 1 ATOM 2483 N N . HIS B 2 34 ? -4.957 -5.853 -6.825 1.00 17.55 ? 34 HIS B N 1 ATOM 2484 C CA . HIS B 2 34 ? -5.918 -4.862 -7.369 1.00 17.84 ? 34 HIS B CA 1 ATOM 2485 C C . HIS B 2 34 ? -6.482 -5.348 -8.730 1.00 19.09 ? 34 HIS B C 1 ATOM 2486 O O . HIS B 2 34 ? -5.717 -5.728 -9.596 1.00 18.88 ? 34 HIS B O 1 ATOM 2487 C CB . HIS B 2 34 ? -5.286 -3.497 -7.569 1.00 21.02 ? 34 HIS B CB 1 ATOM 2488 C CG . HIS B 2 34 ? -6.313 -2.499 -7.949 1.00 25.01 ? 34 HIS B CG 1 ATOM 2489 N ND1 . HIS B 2 34 ? -6.634 -2.228 -9.259 1.00 36.49 ? 34 HIS B ND1 1 ATOM 2490 C CD2 . HIS B 2 34 ? -7.232 -1.857 -7.194 1.00 32.97 ? 34 HIS B CD2 1 ATOM 2491 C CE1 . HIS B 2 34 ? -7.639 -1.371 -9.294 1.00 37.63 ? 34 HIS B CE1 1 ATOM 2492 N NE2 . HIS B 2 34 ? -8.011 -1.119 -8.051 1.00 38.51 ? 34 HIS B NE2 1 ATOM 2493 N N . ILE B 2 35 ? -7.803 -5.422 -8.857 1.00 17.73 ? 35 ILE B N 1 ATOM 2494 C CA . ILE B 2 35 ? -8.395 -5.873 -10.111 1.00 17.74 ? 35 ILE B CA 1 ATOM 2495 C C . ILE B 2 35 ? -9.802 -5.317 -10.308 1.00 17.47 ? 35 ILE B C 1 ATOM 2496 O O . ILE B 2 35 ? -10.444 -4.952 -9.370 1.00 16.98 ? 35 ILE B O 1 ATOM 2497 C CB . ILE B 2 35 ? -8.366 -7.451 -10.138 1.00 15.06 ? 35 ILE B CB 1 ATOM 2498 C CG1 . ILE B 2 35 ? -8.603 -8.023 -11.542 1.00 17.18 ? 35 ILE B CG1 1 ATOM 2499 C CG2 . ILE B 2 35 ? -9.388 -8.104 -9.138 1.00 16.97 ? 35 ILE B CG2 1 ATOM 2500 C CD1 . ILE B 2 35 ? -8.251 -9.544 -11.442 1.00 14.59 ? 35 ILE B CD1 1 ATOM 2501 N N A GLU B 2 36 ? -10.288 -5.200 -11.545 0.50 18.74 ? 36 GLU B N 1 ATOM 2502 N N B GLU B 2 36 ? -10.287 -5.347 -11.550 0.50 18.09 ? 36 GLU B N 1 ATOM 2503 C CA A GLU B 2 36 ? -11.698 -4.853 -11.712 0.50 18.94 ? 36 GLU B CA 1 ATOM 2504 C CA B GLU B 2 36 ? -11.609 -4.853 -11.864 0.50 18.05 ? 36 GLU B CA 1 ATOM 2505 C C A GLU B 2 36 ? -12.329 -5.891 -12.615 0.50 17.92 ? 36 GLU B C 1 ATOM 2506 C C B GLU B 2 36 ? -12.301 -5.958 -12.630 0.50 17.40 ? 36 GLU B C 1 ATOM 2507 O O A GLU B 2 36 ? -11.792 -6.211 -13.658 0.50 17.09 ? 36 GLU B O 1 ATOM 2508 O O B GLU B 2 36 ? -11.764 -6.400 -13.622 0.50 17.07 ? 36 GLU B O 1 ATOM 2509 C CB A GLU B 2 36 ? -11.953 -3.449 -12.309 0.50 19.31 ? 36 GLU B CB 1 ATOM 2510 C CB B GLU B 2 36 ? -11.510 -3.672 -12.826 0.50 17.73 ? 36 GLU B CB 1 ATOM 2511 C CG A GLU B 2 36 ? -13.433 -3.339 -12.878 0.50 22.85 ? 36 GLU B CG 1 ATOM 2512 C CG B GLU B 2 36 ? -10.870 -2.418 -12.287 0.50 17.88 ? 36 GLU B CG 1 ATOM 2513 C CD A GLU B 2 36 ? -13.907 -1.939 -13.404 0.50 24.00 ? 36 GLU B CD 1 ATOM 2514 C CD B GLU B 2 36 ? -10.824 -1.253 -13.309 0.50 18.74 ? 36 GLU B CD 1 ATOM 2515 O OE1 A GLU B 2 36 ? -14.901 -1.907 -14.162 0.50 27.15 ? 36 GLU B OE1 1 ATOM 2516 O OE1 B GLU B 2 36 ? -11.565 -1.212 -14.312 0.50 22.24 ? 36 GLU B OE1 1 ATOM 2517 O OE2 A GLU B 2 36 ? -13.349 -0.878 -13.073 0.50 27.45 ? 36 GLU B OE2 1 ATOM 2518 O OE2 B GLU B 2 36 ? -10.016 -0.371 -13.096 0.50 20.13 ? 36 GLU B OE2 1 ATOM 2519 N N . ILE B 2 37 ? -13.479 -6.380 -12.191 1.00 17.99 ? 37 ILE B N 1 ATOM 2520 C CA . ILE B 2 37 ? -14.178 -7.482 -12.836 1.00 19.12 ? 37 ILE B CA 1 ATOM 2521 C C . ILE B 2 37 ? -15.574 -6.974 -13.150 1.00 20.09 ? 37 ILE B C 1 ATOM 2522 O O . ILE B 2 37 ? -16.243 -6.400 -12.274 1.00 21.10 ? 37 ILE B O 1 ATOM 2523 C CB . ILE B 2 37 ? -14.280 -8.736 -11.871 1.00 21.35 ? 37 ILE B CB 1 ATOM 2524 C CG1 . ILE B 2 37 ? -12.895 -9.238 -11.507 1.00 19.16 ? 37 ILE B CG1 1 ATOM 2525 C CG2 . ILE B 2 37 ? -15.108 -9.925 -12.481 1.00 22.08 ? 37 ILE B CG2 1 ATOM 2526 C CD1 . ILE B 2 37 ? -12.898 -10.212 -10.352 1.00 23.30 ? 37 ILE B CD1 1 ATOM 2527 N N . GLN B 2 38 ? -16.040 -7.215 -14.378 1.00 19.70 ? 38 GLN B N 1 ATOM 2528 C CA . GLN B 2 38 ? -17.418 -6.854 -14.758 1.00 20.64 ? 38 GLN B CA 1 ATOM 2529 C C . GLN B 2 38 ? -17.994 -8.112 -15.378 1.00 18.82 ? 38 GLN B C 1 ATOM 2530 O O . GLN B 2 38 ? -17.237 -8.885 -15.986 1.00 19.25 ? 38 GLN B O 1 ATOM 2531 C CB . GLN B 2 38 ? -17.457 -5.791 -15.844 1.00 20.90 ? 38 GLN B CB 1 ATOM 2532 C CG . GLN B 2 38 ? -16.979 -4.373 -15.414 1.00 25.87 ? 38 GLN B CG 1 ATOM 2533 C CD . GLN B 2 38 ? -16.931 -3.359 -16.606 1.00 30.70 ? 38 GLN B CD 1 ATOM 2534 O OE1 . GLN B 2 38 ? -17.510 -3.606 -17.676 1.00 35.01 ? 38 GLN B OE1 1 ATOM 2535 N NE2 . GLN B 2 38 ? -16.245 -2.220 -16.412 1.00 35.02 ? 38 GLN B NE2 1 ATOM 2536 N N . MET B 2 39 ? -19.281 -8.336 -15.180 1.00 16.15 ? 39 MET B N 1 ATOM 2537 C CA . MET B 2 39 ? -20.032 -9.315 -15.969 1.00 16.41 ? 39 MET B CA 1 ATOM 2538 C C . MET B 2 39 ? -20.883 -8.617 -17.002 1.00 16.16 ? 39 MET B C 1 ATOM 2539 O O . MET B 2 39 ? -21.348 -7.480 -16.758 1.00 16.94 ? 39 MET B O 1 ATOM 2540 C CB . MET B 2 39 ? -20.832 -10.253 -15.060 1.00 15.65 ? 39 MET B CB 1 ATOM 2541 C CG . MET B 2 39 ? -19.884 -11.031 -14.111 1.00 16.74 ? 39 MET B CG 1 ATOM 2542 S SD . MET B 2 39 ? -20.616 -12.255 -13.011 1.00 22.19 ? 39 MET B SD 1 ATOM 2543 C CE . MET B 2 39 ? -20.955 -13.566 -14.173 1.00 19.59 ? 39 MET B CE 1 ATOM 2544 N N . LEU B 2 40 ? -21.024 -9.225 -18.204 1.00 16.29 ? 40 LEU B N 1 ATOM 2545 C CA . LEU B 2 40 ? -21.582 -8.499 -19.357 1.00 16.40 ? 40 LEU B CA 1 ATOM 2546 C C . LEU B 2 40 ? -22.753 -9.349 -19.840 1.00 17.52 ? 40 LEU B C 1 ATOM 2547 O O . LEU B 2 40 ? -22.629 -10.588 -19.878 1.00 17.79 ? 40 LEU B O 1 ATOM 2548 C CB . LEU B 2 40 ? -20.570 -8.397 -20.518 1.00 17.13 ? 40 LEU B CB 1 ATOM 2549 C CG . LEU B 2 40 ? -19.169 -7.788 -20.228 1.00 18.88 ? 40 LEU B CG 1 ATOM 2550 C CD1 . LEU B 2 40 ? -18.287 -7.545 -21.517 1.00 15.45 ? 40 LEU B CD1 1 ATOM 2551 C CD2 . LEU B 2 40 ? -19.313 -6.502 -19.467 1.00 21.04 ? 40 LEU B CD2 1 ATOM 2552 N N . LYS B 2 41 ? -23.877 -8.692 -20.189 1.00 17.56 ? 41 LYS B N 1 ATOM 2553 C CA . LYS B 2 41 ? -24.998 -9.319 -20.903 1.00 17.29 ? 41 LYS B CA 1 ATOM 2554 C C . LYS B 2 41 ? -25.162 -8.548 -22.225 1.00 17.84 ? 41 LYS B C 1 ATOM 2555 O O . LYS B 2 41 ? -25.292 -7.308 -22.218 1.00 17.27 ? 41 LYS B O 1 ATOM 2556 C CB . LYS B 2 41 ? -26.276 -9.240 -20.087 1.00 17.06 ? 41 LYS B CB 1 ATOM 2557 C CG . LYS B 2 41 ? -27.497 -9.614 -20.876 1.00 18.39 ? 41 LYS B CG 1 ATOM 2558 C CD . LYS B 2 41 ? -28.723 -9.689 -19.976 1.00 20.64 ? 41 LYS B CD 1 ATOM 2559 C CE . LYS B 2 41 ? -29.934 -10.135 -20.805 1.00 26.00 ? 41 LYS B CE 1 ATOM 2560 N NZ . LYS B 2 41 ? -31.095 -10.377 -19.924 1.00 30.75 ? 41 LYS B NZ 1 ATOM 2561 N N . ASN B 2 42 ? -25.059 -9.264 -23.341 1.00 17.63 ? 42 ASN B N 1 ATOM 2562 C CA . ASN B 2 42 ? -24.937 -8.638 -24.633 1.00 18.47 ? 42 ASN B CA 1 ATOM 2563 C C . ASN B 2 42 ? -23.914 -7.469 -24.688 1.00 19.18 ? 42 ASN B C 1 ATOM 2564 O O . ASN B 2 42 ? -24.201 -6.412 -25.235 1.00 19.54 ? 42 ASN B O 1 ATOM 2565 C CB . ASN B 2 42 ? -26.346 -8.256 -25.140 1.00 18.39 ? 42 ASN B CB 1 ATOM 2566 C CG . ASN B 2 42 ? -27.248 -9.464 -25.179 1.00 20.44 ? 42 ASN B CG 1 ATOM 2567 O OD1 . ASN B 2 42 ? -26.857 -10.515 -25.690 1.00 19.58 ? 42 ASN B OD1 1 ATOM 2568 N ND2 . ASN B 2 42 ? -28.425 -9.349 -24.623 1.00 17.70 ? 42 ASN B ND2 1 ATOM 2569 N N . GLY B 2 43 ? -22.742 -7.664 -24.091 1.00 19.96 ? 43 GLY B N 1 ATOM 2570 C CA . GLY B 2 43 ? -21.634 -6.719 -24.188 1.00 21.29 ? 43 GLY B CA 1 ATOM 2571 C C . GLY B 2 43 ? -21.744 -5.497 -23.278 1.00 22.89 ? 43 GLY B C 1 ATOM 2572 O O . GLY B 2 43 ? -20.818 -4.614 -23.273 1.00 22.91 ? 43 GLY B O 1 ATOM 2573 N N . LYS B 2 44 ? -22.857 -5.430 -22.531 1.00 21.84 ? 44 LYS B N 1 ATOM 2574 C CA . LYS B 2 44 ? -23.111 -4.352 -21.562 1.00 22.41 ? 44 LYS B CA 1 ATOM 2575 C C . LYS B 2 44 ? -22.947 -4.794 -20.088 1.00 22.03 ? 44 LYS B C 1 ATOM 2576 O O . LYS B 2 44 ? -23.387 -5.860 -19.713 1.00 20.80 ? 44 LYS B O 1 ATOM 2577 C CB . LYS B 2 44 ? -24.505 -3.767 -21.747 1.00 23.84 ? 44 LYS B CB 1 ATOM 2578 C CG . LYS B 2 44 ? -24.664 -3.157 -23.134 1.00 26.70 ? 44 LYS B CG 1 ATOM 2579 C CD . LYS B 2 44 ? -25.951 -2.360 -23.311 1.00 33.86 ? 44 LYS B CD 1 ATOM 2580 C CE . LYS B 2 44 ? -26.254 -2.191 -24.785 1.00 33.04 ? 44 LYS B CE 1 ATOM 2581 N NZ . LYS B 2 44 ? -27.731 -2.070 -25.008 1.00 39.23 ? 44 LYS B NZ 1 ATOM 2582 N N . LYS B 2 45 ? -22.351 -3.924 -19.279 1.00 21.98 ? 45 LYS B N 1 ATOM 2583 C CA . LYS B 2 45 ? -22.101 -4.179 -17.844 1.00 22.16 ? 45 LYS B CA 1 ATOM 2584 C C . LYS B 2 45 ? -23.382 -4.514 -17.101 1.00 21.59 ? 45 LYS B C 1 ATOM 2585 O O . LYS B 2 45 ? -24.375 -3.802 -17.243 1.00 21.35 ? 45 LYS B O 1 ATOM 2586 C CB . LYS B 2 45 ? -21.467 -2.922 -17.214 1.00 22.65 ? 45 LYS B CB 1 ATOM 2587 C CG . LYS B 2 45 ? -21.275 -3.028 -15.714 1.00 27.85 ? 45 LYS B CG 1 ATOM 2588 C CD . LYS B 2 45 ? -21.021 -1.611 -15.186 1.00 32.04 ? 45 LYS B CD 1 ATOM 2589 C CE . LYS B 2 45 ? -19.764 -1.567 -14.371 1.00 37.25 ? 45 LYS B CE 1 ATOM 2590 N NZ . LYS B 2 45 ? -20.062 -2.058 -13.018 1.00 43.10 ? 45 LYS B NZ 1 ATOM 2591 N N . ILE B 2 46 ? -23.384 -5.619 -16.343 1.00 20.82 ? 46 ILE B N 1 ATOM 2592 C CA . ILE B 2 46 ? -24.545 -6.028 -15.532 1.00 19.85 ? 46 ILE B CA 1 ATOM 2593 C C . ILE B 2 46 ? -24.410 -5.362 -14.178 1.00 21.31 ? 46 ILE B C 1 ATOM 2594 O O . ILE B 2 46 ? -23.399 -5.510 -13.468 1.00 18.57 ? 46 ILE B O 1 ATOM 2595 C CB . ILE B 2 46 ? -24.634 -7.580 -15.331 1.00 21.05 ? 46 ILE B CB 1 ATOM 2596 C CG1 . ILE B 2 46 ? -24.840 -8.327 -16.675 1.00 17.82 ? 46 ILE B CG1 1 ATOM 2597 C CG2 . ILE B 2 46 ? -25.819 -7.951 -14.309 1.00 18.74 ? 46 ILE B CG2 1 ATOM 2598 C CD1 . ILE B 2 46 ? -24.484 -9.867 -16.564 1.00 15.01 ? 46 ILE B CD1 1 ATOM 2599 N N . PRO B 2 47 ? -25.440 -4.599 -13.811 1.00 24.35 ? 47 PRO B N 1 ATOM 2600 C CA . PRO B 2 47 ? -25.420 -3.788 -12.582 1.00 26.12 ? 47 PRO B CA 1 ATOM 2601 C C . PRO B 2 47 ? -25.272 -4.584 -11.296 1.00 27.30 ? 47 PRO B C 1 ATOM 2602 O O . PRO B 2 47 ? -24.445 -4.205 -10.456 1.00 29.05 ? 47 PRO B O 1 ATOM 2603 C CB . PRO B 2 47 ? -26.778 -3.058 -12.611 1.00 26.13 ? 47 PRO B CB 1 ATOM 2604 C CG . PRO B 2 47 ? -27.625 -3.883 -13.660 1.00 26.53 ? 47 PRO B CG 1 ATOM 2605 C CD . PRO B 2 47 ? -26.587 -4.261 -14.675 1.00 23.79 ? 47 PRO B CD 1 ATOM 2606 N N . LYS B 2 48 ? -26.023 -5.651 -11.049 1.00 26.80 ? 48 LYS B N 1 ATOM 2607 C CA . LYS B 2 48 ? -25.940 -6.030 -9.596 1.00 29.76 ? 48 LYS B CA 1 ATOM 2608 C C . LYS B 2 48 ? -24.881 -7.058 -9.067 1.00 29.61 ? 48 LYS B C 1 ATOM 2609 O O . LYS B 2 48 ? -25.107 -7.713 -8.043 1.00 32.36 ? 48 LYS B O 1 ATOM 2610 C CB . LYS B 2 48 ? -27.321 -6.289 -9.007 1.00 30.28 ? 48 LYS B CB 1 ATOM 2611 C CG . LYS B 2 48 ? -27.863 -5.033 -8.347 1.00 34.28 ? 48 LYS B CG 1 ATOM 2612 C CD . LYS B 2 48 ? -29.285 -4.773 -8.786 1.00 37.66 ? 48 LYS B CD 1 ATOM 2613 C CE . LYS B 2 48 ? -29.915 -3.685 -7.955 1.00 38.43 ? 48 LYS B CE 1 ATOM 2614 N NZ . LYS B 2 48 ? -31.363 -3.730 -8.352 1.00 43.81 ? 48 LYS B NZ 1 ATOM 2615 N N . VAL B 2 49 ? -23.711 -7.146 -9.690 1.00 27.40 ? 49 VAL B N 1 ATOM 2616 C CA . VAL B 2 49 ? -22.853 -8.300 -9.488 1.00 22.79 ? 49 VAL B CA 1 ATOM 2617 C C . VAL B 2 49 ? -22.327 -8.425 -8.067 1.00 22.55 ? 49 VAL B C 1 ATOM 2618 O O . VAL B 2 49 ? -21.841 -7.454 -7.518 1.00 23.17 ? 49 VAL B O 1 ATOM 2619 C CB . VAL B 2 49 ? -21.696 -8.247 -10.497 1.00 23.68 ? 49 VAL B CB 1 ATOM 2620 C CG1 . VAL B 2 49 ? -20.788 -9.448 -10.300 1.00 15.29 ? 49 VAL B CG1 1 ATOM 2621 C CG2 . VAL B 2 49 ? -22.308 -8.239 -11.976 1.00 20.85 ? 49 VAL B CG2 1 ATOM 2622 N N . GLU B 2 50 ? -22.377 -9.612 -7.468 1.00 20.37 ? 50 GLU B N 1 ATOM 2623 C CA . GLU B 2 50 ? -21.861 -9.751 -6.074 1.00 20.77 ? 50 GLU B CA 1 ATOM 2624 C C . GLU B 2 50 ? -20.513 -10.387 -6.135 1.00 19.99 ? 50 GLU B C 1 ATOM 2625 O O . GLU B 2 50 ? -20.271 -11.252 -7.001 1.00 18.37 ? 50 GLU B O 1 ATOM 2626 C CB . GLU B 2 50 ? -22.775 -10.635 -5.226 1.00 20.84 ? 50 GLU B CB 1 ATOM 2627 C CG . GLU B 2 50 ? -24.149 -9.970 -4.911 1.00 23.71 ? 50 GLU B CG 1 ATOM 2628 C CD . GLU B 2 50 ? -24.125 -9.176 -3.638 1.00 31.98 ? 50 GLU B CD 1 ATOM 2629 O OE1 . GLU B 2 50 ? -23.095 -9.243 -2.889 1.00 35.01 ? 50 GLU B OE1 1 ATOM 2630 O OE2 . GLU B 2 50 ? -25.136 -8.474 -3.369 1.00 40.91 ? 50 GLU B OE2 1 ATOM 2631 N N . MET B 2 51 ? -19.616 -9.936 -5.254 1.00 19.05 ? 51 MET B N 1 ATOM 2632 C CA . MET B 2 51 ? -18.262 -10.488 -5.240 1.00 20.88 ? 51 MET B CA 1 ATOM 2633 C C . MET B 2 51 ? -17.978 -11.124 -3.860 1.00 20.44 ? 51 MET B C 1 ATOM 2634 O O . MET B 2 51 ? -18.406 -10.576 -2.797 1.00 21.11 ? 51 MET B O 1 ATOM 2635 C CB . MET B 2 51 ? -17.230 -9.353 -5.472 1.00 20.91 ? 51 MET B CB 1 ATOM 2636 C CG . MET B 2 51 ? -17.572 -8.471 -6.610 1.00 27.41 ? 51 MET B CG 1 ATOM 2637 S SD . MET B 2 51 ? -16.699 -9.032 -8.053 1.00 34.46 ? 51 MET B SD 1 ATOM 2638 C CE . MET B 2 51 ? -17.455 -7.935 -9.309 1.00 30.64 ? 51 MET B CE 1 ATOM 2639 N N . SER B 2 52 ? -17.241 -12.222 -3.856 1.00 19.24 ? 52 SER B N 1 ATOM 2640 C CA . SER B 2 52 ? -16.715 -12.794 -2.614 1.00 19.94 ? 52 SER B CA 1 ATOM 2641 C C . SER B 2 52 ? -15.601 -11.861 -2.100 1.00 19.23 ? 52 SER B C 1 ATOM 2642 O O . SER B 2 52 ? -15.118 -10.960 -2.849 1.00 19.66 ? 52 SER B O 1 ATOM 2643 C CB . SER B 2 52 ? -16.118 -14.219 -2.909 1.00 19.38 ? 52 SER B CB 1 ATOM 2644 O OG . SER B 2 52 ? -14.943 -14.158 -3.750 1.00 19.07 ? 52 SER B OG 1 ATOM 2645 N N . ASP B 2 53 ? -15.113 -12.096 -0.864 1.00 18.72 ? 53 ASP B N 1 ATOM 2646 C CA . ASP B 2 53 ? -13.944 -11.346 -0.388 1.00 18.86 ? 53 ASP B CA 1 ATOM 2647 C C . ASP B 2 53 ? -12.752 -11.860 -1.206 1.00 20.46 ? 53 ASP B C 1 ATOM 2648 O O . ASP B 2 53 ? -12.708 -13.047 -1.539 1.00 21.00 ? 53 ASP B O 1 ATOM 2649 C CB . ASP B 2 53 ? -13.697 -11.602 1.115 1.00 17.43 ? 53 ASP B CB 1 ATOM 2650 C CG . ASP B 2 53 ? -14.844 -11.121 1.938 1.00 21.28 ? 53 ASP B CG 1 ATOM 2651 O OD1 . ASP B 2 53 ? -15.449 -10.107 1.526 1.00 24.53 ? 53 ASP B OD1 1 ATOM 2652 O OD2 . ASP B 2 53 ? -15.165 -11.693 2.966 1.00 23.84 ? 53 ASP B OD2 1 ATOM 2653 N N . MET B 2 54 ? -11.806 -10.990 -1.538 1.00 19.24 ? 54 MET B N 1 ATOM 2654 C CA . MET B 2 54 ? -10.593 -11.565 -2.150 1.00 19.30 ? 54 MET B CA 1 ATOM 2655 C C . MET B 2 54 ? -9.887 -12.490 -1.183 1.00 17.94 ? 54 MET B C 1 ATOM 2656 O O . MET B 2 54 ? -9.801 -12.240 0.056 1.00 18.46 ? 54 MET B O 1 ATOM 2657 C CB . MET B 2 54 ? -9.637 -10.515 -2.609 1.00 19.02 ? 54 MET B CB 1 ATOM 2658 C CG . MET B 2 54 ? -8.908 -11.122 -3.978 1.00 23.21 ? 54 MET B CG 1 ATOM 2659 S SD . MET B 2 54 ? -7.898 -9.914 -4.355 1.00 30.44 ? 54 MET B SD 1 ATOM 2660 C CE . MET B 2 54 ? -8.927 -8.786 -5.329 1.00 28.58 ? 54 MET B CE 1 ATOM 2661 N N . SER B 2 55 ? -9.278 -13.547 -1.703 1.00 16.20 ? 55 SER B N 1 ATOM 2662 C CA . SER B 2 55 ? -8.506 -14.416 -0.829 1.00 16.28 ? 55 SER B CA 1 ATOM 2663 C C . SER B 2 55 ? -7.286 -14.883 -1.671 1.00 15.39 ? 55 SER B C 1 ATOM 2664 O O . SER B 2 55 ? -7.130 -14.397 -2.774 1.00 15.41 ? 55 SER B O 1 ATOM 2665 C CB . SER B 2 55 ? -9.408 -15.633 -0.520 1.00 16.54 ? 55 SER B CB 1 ATOM 2666 O OG . SER B 2 55 ? -8.863 -16.486 0.453 1.00 21.27 ? 55 SER B OG 1 ATOM 2667 N N . PHE B 2 56 ? -6.463 -15.804 -1.144 1.00 15.29 ? 56 PHE B N 1 ATOM 2668 C CA . PHE B 2 56 ? -5.354 -16.304 -1.924 1.00 15.97 ? 56 PHE B CA 1 ATOM 2669 C C . PHE B 2 56 ? -5.094 -17.749 -1.643 1.00 16.29 ? 56 PHE B C 1 ATOM 2670 O O . PHE B 2 56 ? -5.518 -18.283 -0.589 1.00 16.59 ? 56 PHE B O 1 ATOM 2671 C CB . PHE B 2 56 ? -4.120 -15.378 -1.776 1.00 13.44 ? 56 PHE B CB 1 ATOM 2672 C CG . PHE B 2 56 ? -3.581 -15.301 -0.399 1.00 12.65 ? 56 PHE B CG 1 ATOM 2673 C CD1 . PHE B 2 56 ? -2.701 -16.300 0.102 1.00 13.35 ? 56 PHE B CD1 1 ATOM 2674 C CD2 . PHE B 2 56 ? -3.843 -14.151 0.377 1.00 11.37 ? 56 PHE B CD2 1 ATOM 2675 C CE1 . PHE B 2 56 ? -2.118 -16.215 1.386 1.00 11.95 ? 56 PHE B CE1 1 ATOM 2676 C CE2 . PHE B 2 56 ? -3.268 -14.052 1.670 1.00 15.77 ? 56 PHE B CE2 1 ATOM 2677 C CZ . PHE B 2 56 ? -2.408 -15.132 2.176 1.00 14.80 ? 56 PHE B CZ 1 ATOM 2678 N N . SER B 2 57 ? -4.463 -18.396 -2.604 1.00 16.94 ? 57 SER B N 1 ATOM 2679 C CA . SER B 2 57 ? -4.232 -19.822 -2.551 1.00 20.92 ? 57 SER B CA 1 ATOM 2680 C C . SER B 2 57 ? -2.927 -20.166 -1.907 1.00 21.12 ? 57 SER B C 1 ATOM 2681 O O . SER B 2 57 ? -2.138 -19.302 -1.552 1.00 20.37 ? 57 SER B O 1 ATOM 2682 C CB . SER B 2 57 ? -4.204 -20.375 -3.958 1.00 20.80 ? 57 SER B CB 1 ATOM 2683 O OG . SER B 2 57 ? -5.423 -19.967 -4.520 1.00 27.93 ? 57 SER B OG 1 ATOM 2684 N N . LYS B 2 58 ? -2.666 -21.458 -1.775 1.00 22.12 ? 58 LYS B N 1 ATOM 2685 C CA . LYS B 2 58 ? -1.360 -21.889 -1.255 1.00 22.66 ? 58 LYS B CA 1 ATOM 2686 C C . LYS B 2 58 ? -0.157 -21.326 -2.018 1.00 21.39 ? 58 LYS B C 1 ATOM 2687 O O . LYS B 2 58 ? 0.931 -21.058 -1.429 1.00 20.43 ? 58 LYS B O 1 ATOM 2688 C CB . LYS B 2 58 ? -1.286 -23.415 -1.289 1.00 25.76 ? 58 LYS B CB 1 ATOM 2689 C CG . LYS B 2 58 ? -0.568 -23.971 -0.054 1.00 32.52 ? 58 LYS B CG 1 ATOM 2690 C CD . LYS B 2 58 ? 0.028 -25.331 -0.328 1.00 42.51 ? 58 LYS B CD 1 ATOM 2691 C CE . LYS B 2 58 ? -0.290 -26.299 0.822 1.00 46.33 ? 58 LYS B CE 1 ATOM 2692 N NZ . LYS B 2 58 ? 0.467 -27.561 0.572 1.00 49.31 ? 58 LYS B NZ 1 ATOM 2693 N N . ASP B 2 59 ? -0.285 -21.134 -3.304 1.00 19.83 ? 59 ASP B N 1 ATOM 2694 C CA . ASP B 2 59 ? 0.876 -20.589 -4.009 1.00 18.91 ? 59 ASP B CA 1 ATOM 2695 C C . ASP B 2 59 ? 0.932 -19.072 -3.915 1.00 17.54 ? 59 ASP B C 1 ATOM 2696 O O . ASP B 2 59 ? 1.752 -18.459 -4.611 1.00 18.79 ? 59 ASP B O 1 ATOM 2697 C CB . ASP B 2 59 ? 0.964 -21.055 -5.508 1.00 21.31 ? 59 ASP B CB 1 ATOM 2698 C CG . ASP B 2 59 ? -0.139 -20.472 -6.348 1.00 23.92 ? 59 ASP B CG 1 ATOM 2699 O OD1 . ASP B 2 59 ? -0.940 -19.679 -5.798 1.00 25.67 ? 59 ASP B OD1 1 ATOM 2700 O OD2 . ASP B 2 59 ? -0.319 -20.846 -7.547 1.00 26.58 ? 59 ASP B OD2 1 ATOM 2701 N N . TRP B 2 60 ? 0.122 -18.472 -3.037 1.00 16.21 ? 60 TRP B N 1 ATOM 2702 C CA . TRP B 2 60 ? 0.098 -16.974 -2.860 1.00 14.64 ? 60 TRP B CA 1 ATOM 2703 C C . TRP B 2 60 ? -0.661 -16.152 -3.920 1.00 14.25 ? 60 TRP B C 1 ATOM 2704 O O . TRP B 2 60 ? -0.836 -14.956 -3.746 1.00 14.53 ? 60 TRP B O 1 ATOM 2705 C CB . TRP B 2 60 ? 1.506 -16.369 -2.642 1.00 15.02 ? 60 TRP B CB 1 ATOM 2706 C CG . TRP B 2 60 ? 2.283 -17.067 -1.480 1.00 12.40 ? 60 TRP B CG 1 ATOM 2707 C CD1 . TRP B 2 60 ? 3.244 -18.023 -1.631 1.00 13.76 ? 60 TRP B CD1 1 ATOM 2708 C CD2 . TRP B 2 60 ? 2.127 -16.869 -0.067 1.00 11.73 ? 60 TRP B CD2 1 ATOM 2709 N NE1 . TRP B 2 60 ? 3.704 -18.426 -0.396 1.00 14.14 ? 60 TRP B NE1 1 ATOM 2710 C CE2 . TRP B 2 60 ? 2.999 -17.766 0.577 1.00 15.16 ? 60 TRP B CE2 1 ATOM 2711 C CE3 . TRP B 2 60 ? 1.307 -16.020 0.719 1.00 12.34 ? 60 TRP B CE3 1 ATOM 2712 C CZ2 . TRP B 2 60 ? 3.118 -17.847 1.964 1.00 12.56 ? 60 TRP B CZ2 1 ATOM 2713 C CZ3 . TRP B 2 60 ? 1.390 -16.100 2.119 1.00 13.60 ? 60 TRP B CZ3 1 ATOM 2714 C CH2 . TRP B 2 60 ? 2.326 -16.984 2.732 1.00 13.10 ? 60 TRP B CH2 1 ATOM 2715 N N . SER B 2 61 ? -1.150 -16.760 -4.989 1.00 15.64 ? 61 SER B N 1 ATOM 2716 C CA . SER B 2 61 ? -1.857 -15.970 -6.005 1.00 16.63 ? 61 SER B CA 1 ATOM 2717 C C . SER B 2 61 ? -3.263 -15.775 -5.529 1.00 15.87 ? 61 SER B C 1 ATOM 2718 O O . SER B 2 61 ? -3.820 -16.582 -4.786 1.00 15.45 ? 61 SER B O 1 ATOM 2719 C CB . SER B 2 61 ? -1.844 -16.665 -7.414 1.00 16.77 ? 61 SER B CB 1 ATOM 2720 O OG . SER B 2 61 ? -2.539 -17.929 -7.329 1.00 22.20 ? 61 SER B OG 1 ATOM 2721 N N . PHE B 2 62 ? -3.826 -14.647 -5.955 1.00 15.44 ? 62 PHE B N 1 ATOM 2722 C CA . PHE B 2 62 ? -5.114 -14.215 -5.493 1.00 15.33 ? 62 PHE B CA 1 ATOM 2723 C C . PHE B 2 62 ? -6.244 -14.891 -6.212 1.00 17.24 ? 62 PHE B C 1 ATOM 2724 O O . PHE B 2 62 ? -6.085 -15.295 -7.363 1.00 15.97 ? 62 PHE B O 1 ATOM 2725 C CB . PHE B 2 62 ? -5.175 -12.720 -5.658 1.00 15.21 ? 62 PHE B CB 1 ATOM 2726 C CG . PHE B 2 62 ? -4.267 -11.996 -4.618 1.00 18.08 ? 62 PHE B CG 1 ATOM 2727 C CD1 . PHE B 2 62 ? -2.914 -11.734 -4.892 1.00 15.98 ? 62 PHE B CD1 1 ATOM 2728 C CD2 . PHE B 2 62 ? -4.736 -11.790 -3.292 1.00 17.02 ? 62 PHE B CD2 1 ATOM 2729 C CE1 . PHE B 2 62 ? -2.056 -11.150 -3.882 1.00 17.81 ? 62 PHE B CE1 1 ATOM 2730 C CE2 . PHE B 2 62 ? -3.908 -11.183 -2.325 1.00 20.72 ? 62 PHE B CE2 1 ATOM 2731 C CZ . PHE B 2 62 ? -2.554 -10.873 -2.620 1.00 18.21 ? 62 PHE B CZ 1 ATOM 2732 N N . TYR B 2 63 ? -7.411 -14.951 -5.581 1.00 14.09 ? 63 TYR B N 1 ATOM 2733 C CA . TYR B 2 63 ? -8.601 -15.320 -6.414 1.00 15.16 ? 63 TYR B CA 1 ATOM 2734 C C . TYR B 2 63 ? -9.849 -14.664 -5.850 1.00 15.94 ? 63 TYR B C 1 ATOM 2735 O O . TYR B 2 63 ? -9.892 -14.246 -4.664 1.00 16.47 ? 63 TYR B O 1 ATOM 2736 C CB . TYR B 2 63 ? -8.812 -16.834 -6.414 1.00 14.89 ? 63 TYR B CB 1 ATOM 2737 C CG . TYR B 2 63 ? -9.015 -17.448 -5.033 1.00 19.64 ? 63 TYR B CG 1 ATOM 2738 C CD1 . TYR B 2 63 ? -10.312 -17.506 -4.465 1.00 23.33 ? 63 TYR B CD1 1 ATOM 2739 C CD2 . TYR B 2 63 ? -7.963 -17.965 -4.311 1.00 21.44 ? 63 TYR B CD2 1 ATOM 2740 C CE1 . TYR B 2 63 ? -10.502 -18.033 -3.214 1.00 24.52 ? 63 TYR B CE1 1 ATOM 2741 C CE2 . TYR B 2 63 ? -8.147 -18.552 -3.024 1.00 21.81 ? 63 TYR B CE2 1 ATOM 2742 C CZ . TYR B 2 63 ? -9.426 -18.574 -2.488 1.00 26.58 ? 63 TYR B CZ 1 ATOM 2743 O OH . TYR B 2 63 ? -9.653 -19.125 -1.232 1.00 30.35 ? 63 TYR B OH 1 ATOM 2744 N N . ILE B 2 64 ? -10.883 -14.631 -6.662 1.00 17.17 ? 64 ILE B N 1 ATOM 2745 C CA . ILE B 2 64 ? -12.135 -14.012 -6.264 1.00 17.16 ? 64 ILE B CA 1 ATOM 2746 C C . ILE B 2 64 ? -13.248 -14.579 -7.141 1.00 17.75 ? 64 ILE B C 1 ATOM 2747 O O . ILE B 2 64 ? -12.994 -14.912 -8.300 1.00 19.01 ? 64 ILE B O 1 ATOM 2748 C CB . ILE B 2 64 ? -12.049 -12.488 -6.407 1.00 18.60 ? 64 ILE B CB 1 ATOM 2749 C CG1 . ILE B 2 64 ? -13.259 -11.798 -5.769 1.00 23.85 ? 64 ILE B CG1 1 ATOM 2750 C CG2 . ILE B 2 64 ? -11.900 -12.092 -7.820 1.00 23.10 ? 64 ILE B CG2 1 ATOM 2751 C CD1 . ILE B 2 64 ? -12.894 -10.368 -5.270 1.00 27.62 ? 64 ILE B CD1 1 ATOM 2752 N N . LEU B 2 65 ? -14.458 -14.706 -6.565 1.00 15.82 ? 65 LEU B N 1 ATOM 2753 C CA . LEU B 2 65 ? -15.631 -15.222 -7.302 1.00 15.32 ? 65 LEU B CA 1 ATOM 2754 C C . LEU B 2 65 ? -16.688 -14.097 -7.462 1.00 16.34 ? 65 LEU B C 1 ATOM 2755 O O . LEU B 2 65 ? -17.107 -13.487 -6.460 1.00 17.44 ? 65 LEU B O 1 ATOM 2756 C CB . LEU B 2 65 ? -16.198 -16.462 -6.495 1.00 13.65 ? 65 LEU B CB 1 ATOM 2757 C CG . LEU B 2 65 ? -17.514 -17.039 -7.122 1.00 15.56 ? 65 LEU B CG 1 ATOM 2758 C CD1 . LEU B 2 65 ? -17.167 -17.683 -8.468 1.00 14.35 ? 65 LEU B CD1 1 ATOM 2759 C CD2 . LEU B 2 65 ? -18.005 -18.111 -6.057 1.00 18.43 ? 65 LEU B CD2 1 ATOM 2760 N N . ALA B 2 66 ? -17.134 -13.842 -8.710 1.00 15.28 ? 66 ALA B N 1 ATOM 2761 C CA . ALA B 2 66 ? -18.195 -12.863 -8.956 1.00 15.12 ? 66 ALA B CA 1 ATOM 2762 C C . ALA B 2 66 ? -19.394 -13.717 -9.385 1.00 15.55 ? 66 ALA B C 1 ATOM 2763 O O . ALA B 2 66 ? -19.197 -14.887 -9.907 1.00 13.65 ? 66 ALA B O 1 ATOM 2764 C CB . ALA B 2 66 ? -17.799 -11.867 -10.063 1.00 15.27 ? 66 ALA B CB 1 ATOM 2765 N N . HIS B 2 67 ? -20.620 -13.257 -9.108 1.00 14.31 ? 67 HIS B N 1 ATOM 2766 C CA . HIS B 2 67 ? -21.794 -14.009 -9.576 1.00 15.63 ? 67 HIS B CA 1 ATOM 2767 C C . HIS B 2 67 ? -22.958 -13.085 -9.720 1.00 17.38 ? 67 HIS B C 1 ATOM 2768 O O . HIS B 2 67 ? -23.018 -12.074 -9.043 1.00 16.24 ? 67 HIS B O 1 ATOM 2769 C CB . HIS B 2 67 ? -22.203 -15.210 -8.675 1.00 15.17 ? 67 HIS B CB 1 ATOM 2770 C CG . HIS B 2 67 ? -22.828 -14.801 -7.355 1.00 18.60 ? 67 HIS B CG 1 ATOM 2771 N ND1 . HIS B 2 67 ? -22.081 -14.361 -6.287 1.00 20.07 ? 67 HIS B ND1 1 ATOM 2772 C CD2 . HIS B 2 67 ? -24.120 -14.760 -6.947 1.00 21.34 ? 67 HIS B CD2 1 ATOM 2773 C CE1 . HIS B 2 67 ? -22.888 -14.084 -5.269 1.00 23.50 ? 67 HIS B CE1 1 ATOM 2774 N NE2 . HIS B 2 67 ? -24.130 -14.315 -5.655 1.00 21.01 ? 67 HIS B NE2 1 ATOM 2775 N N . THR B 2 68 ? -23.840 -13.471 -10.636 1.00 15.80 ? 68 THR B N 1 ATOM 2776 C CA . THR B 2 68 ? -25.009 -12.691 -10.922 1.00 18.25 ? 68 THR B CA 1 ATOM 2777 C C . THR B 2 68 ? -26.155 -13.613 -11.303 1.00 17.98 ? 68 THR B C 1 ATOM 2778 O O . THR B 2 68 ? -25.933 -14.690 -11.849 1.00 16.90 ? 68 THR B O 1 ATOM 2779 C CB . THR B 2 68 ? -24.725 -11.683 -12.046 1.00 18.25 ? 68 THR B CB 1 ATOM 2780 O OG1 . THR B 2 68 ? -25.822 -10.769 -12.112 1.00 24.15 ? 68 THR B OG1 1 ATOM 2781 C CG2 . THR B 2 68 ? -24.497 -12.402 -13.448 1.00 18.57 ? 68 THR B CG2 1 ATOM 2782 N N . GLU B 2 69 ? -27.386 -13.220 -10.925 1.00 18.33 ? 69 GLU B N 1 ATOM 2783 C CA . GLU B 2 69 ? -28.550 -13.893 -11.450 1.00 20.08 ? 69 GLU B CA 1 ATOM 2784 C C . GLU B 2 69 ? -28.571 -13.702 -12.944 1.00 19.94 ? 69 GLU B C 1 ATOM 2785 O O . GLU B 2 69 ? -28.204 -12.622 -13.446 1.00 17.81 ? 69 GLU B O 1 ATOM 2786 C CB . GLU B 2 69 ? -29.852 -13.271 -10.884 1.00 19.75 ? 69 GLU B CB 1 ATOM 2787 C CG . GLU B 2 69 ? -29.834 -13.316 -9.422 1.00 26.54 ? 69 GLU B CG 1 ATOM 2788 C CD . GLU B 2 69 ? -31.019 -12.686 -8.863 1.00 31.55 ? 69 GLU B CD 1 ATOM 2789 O OE1 . GLU B 2 69 ? -31.203 -12.787 -7.649 1.00 37.97 ? 69 GLU B OE1 1 ATOM 2790 O OE2 . GLU B 2 69 ? -31.777 -12.097 -9.644 1.00 39.38 ? 69 GLU B OE2 1 ATOM 2791 N N . PHE B 2 70 ? -29.034 -14.731 -13.662 1.00 18.25 ? 70 PHE B N 1 ATOM 2792 C CA . PHE B 2 70 ? -29.223 -14.621 -15.097 1.00 17.57 ? 70 PHE B CA 1 ATOM 2793 C C . PHE B 2 70 ? -30.265 -15.640 -15.568 1.00 19.12 ? 70 PHE B C 1 ATOM 2794 O O . PHE B 2 70 ? -30.488 -16.642 -14.918 1.00 16.77 ? 70 PHE B O 1 ATOM 2795 C CB . PHE B 2 70 ? -27.896 -14.752 -15.883 1.00 19.15 ? 70 PHE B CB 1 ATOM 2796 C CG . PHE B 2 70 ? -27.455 -16.185 -16.188 1.00 17.20 ? 70 PHE B CG 1 ATOM 2797 C CD1 . PHE B 2 70 ? -27.361 -17.157 -15.182 1.00 16.75 ? 70 PHE B CD1 1 ATOM 2798 C CD2 . PHE B 2 70 ? -27.096 -16.541 -17.509 1.00 17.33 ? 70 PHE B CD2 1 ATOM 2799 C CE1 . PHE B 2 70 ? -26.907 -18.434 -15.484 1.00 17.58 ? 70 PHE B CE1 1 ATOM 2800 C CE2 . PHE B 2 70 ? -26.605 -17.803 -17.809 1.00 15.61 ? 70 PHE B CE2 1 ATOM 2801 C CZ . PHE B 2 70 ? -26.543 -18.780 -16.768 1.00 17.65 ? 70 PHE B CZ 1 ATOM 2802 N N . THR B 2 71 ? -30.869 -15.365 -16.725 1.00 18.13 ? 71 THR B N 1 ATOM 2803 C CA . THR B 2 71 ? -31.786 -16.301 -17.376 1.00 21.01 ? 71 THR B CA 1 ATOM 2804 C C . THR B 2 71 ? -31.264 -16.591 -18.758 1.00 22.07 ? 71 THR B C 1 ATOM 2805 O O . THR B 2 71 ? -31.305 -15.741 -19.643 1.00 23.55 ? 71 THR B O 1 ATOM 2806 C CB . THR B 2 71 ? -33.274 -15.734 -17.403 1.00 22.31 ? 71 THR B CB 1 ATOM 2807 O OG1 . THR B 2 71 ? -33.660 -15.464 -16.057 1.00 22.24 ? 71 THR B OG1 1 ATOM 2808 C CG2 . THR B 2 71 ? -34.257 -16.793 -17.940 1.00 22.99 ? 71 THR B CG2 1 ATOM 2809 N N . PRO B 2 72 ? -30.671 -17.748 -18.950 1.00 22.26 ? 72 PRO B N 1 ATOM 2810 C CA . PRO B 2 72 ? -30.163 -17.912 -20.307 1.00 22.45 ? 72 PRO B CA 1 ATOM 2811 C C . PRO B 2 72 ? -31.314 -18.010 -21.314 1.00 22.07 ? 72 PRO B C 1 ATOM 2812 O O . PRO B 2 72 ? -32.388 -18.498 -20.985 1.00 19.70 ? 72 PRO B O 1 ATOM 2813 C CB . PRO B 2 72 ? -29.513 -19.305 -20.284 1.00 22.24 ? 72 PRO B CB 1 ATOM 2814 C CG . PRO B 2 72 ? -29.851 -19.930 -18.921 1.00 23.79 ? 72 PRO B CG 1 ATOM 2815 C CD . PRO B 2 72 ? -30.324 -18.824 -18.003 1.00 20.26 ? 72 PRO B CD 1 ATOM 2816 N N . THR B 2 73 ? -31.064 -17.576 -22.535 1.00 22.28 ? 73 THR B N 1 ATOM 2817 C CA . THR B 2 73 ? -32.006 -17.773 -23.633 1.00 23.53 ? 73 THR B CA 1 ATOM 2818 C C . THR B 2 73 ? -31.127 -17.764 -24.873 1.00 25.41 ? 73 THR B C 1 ATOM 2819 O O . THR B 2 73 ? -29.951 -17.431 -24.788 1.00 26.94 ? 73 THR B O 1 ATOM 2820 C CB . THR B 2 73 ? -32.921 -16.562 -23.801 1.00 24.29 ? 73 THR B CB 1 ATOM 2821 O OG1 . THR B 2 73 ? -32.119 -15.464 -24.220 1.00 26.26 ? 73 THR B OG1 1 ATOM 2822 C CG2 . THR B 2 73 ? -33.623 -16.187 -22.526 1.00 25.17 ? 73 THR B CG2 1 ATOM 2823 N N . GLU B 2 74 ? -31.690 -18.038 -26.047 1.00 25.57 ? 74 GLU B N 1 ATOM 2824 C CA . GLU B 2 74 ? -30.823 -18.230 -27.193 1.00 24.94 ? 74 GLU B CA 1 ATOM 2825 C C . GLU B 2 74 ? -30.711 -16.984 -27.974 1.00 23.55 ? 74 GLU B C 1 ATOM 2826 O O . GLU B 2 74 ? -30.388 -17.053 -29.137 1.00 23.20 ? 74 GLU B O 1 ATOM 2827 C CB . GLU B 2 74 ? -31.309 -19.387 -28.058 1.00 27.39 ? 74 GLU B CB 1 ATOM 2828 C CG . GLU B 2 74 ? -31.404 -20.722 -27.267 1.00 32.36 ? 74 GLU B CG 1 ATOM 2829 C CD . GLU B 2 74 ? -30.065 -21.302 -26.769 1.00 37.70 ? 74 GLU B CD 1 ATOM 2830 O OE1 . GLU B 2 74 ? -29.151 -20.561 -26.342 1.00 43.56 ? 74 GLU B OE1 1 ATOM 2831 O OE2 . GLU B 2 74 ? -29.938 -22.541 -26.800 1.00 40.72 ? 74 GLU B OE2 1 ATOM 2832 N N . THR B 2 75 ? -31.013 -15.844 -27.335 1.00 22.09 ? 75 THR B N 1 ATOM 2833 C CA . THR B 2 75 ? -30.702 -14.547 -27.889 1.00 22.38 ? 75 THR B CA 1 ATOM 2834 C C . THR B 2 75 ? -29.844 -13.681 -27.023 1.00 21.49 ? 75 THR B C 1 ATOM 2835 O O . THR B 2 75 ? -29.708 -12.503 -27.328 1.00 23.63 ? 75 THR B O 1 ATOM 2836 C CB . THR B 2 75 ? -31.945 -13.668 -28.173 1.00 24.22 ? 75 THR B CB 1 ATOM 2837 O OG1 . THR B 2 75 ? -32.610 -13.352 -26.926 1.00 26.91 ? 75 THR B OG1 1 ATOM 2838 C CG2 . THR B 2 75 ? -32.878 -14.313 -29.188 1.00 21.31 ? 75 THR B CG2 1 ATOM 2839 N N . ASP B 2 76 ? -29.251 -14.199 -25.951 1.00 19.47 ? 76 ASP B N 1 ATOM 2840 C CA . ASP B 2 76 ? -28.400 -13.351 -25.115 1.00 19.44 ? 76 ASP B CA 1 ATOM 2841 C C . ASP B 2 76 ? -27.040 -13.994 -24.959 1.00 17.92 ? 76 ASP B C 1 ATOM 2842 O O . ASP B 2 76 ? -26.967 -15.197 -24.771 1.00 15.28 ? 76 ASP B O 1 ATOM 2843 C CB . ASP B 2 76 ? -28.985 -13.227 -23.699 1.00 19.54 ? 76 ASP B CB 1 ATOM 2844 C CG . ASP B 2 76 ? -30.331 -12.539 -23.696 1.00 23.39 ? 76 ASP B CG 1 ATOM 2845 O OD1 . ASP B 2 76 ? -30.403 -11.377 -24.107 1.00 23.74 ? 76 ASP B OD1 1 ATOM 2846 O OD2 . ASP B 2 76 ? -31.329 -13.150 -23.310 1.00 27.20 ? 76 ASP B OD2 1 ATOM 2847 N N . THR B 2 77 ? -25.968 -13.209 -25.016 1.00 16.15 ? 77 THR B N 1 ATOM 2848 C CA . THR B 2 77 ? -24.677 -13.752 -24.673 1.00 14.33 ? 77 THR B CA 1 ATOM 2849 C C . THR B 2 77 ? -24.273 -13.206 -23.298 1.00 15.41 ? 77 THR B C 1 ATOM 2850 O O . THR B 2 77 ? -24.764 -12.157 -22.866 1.00 14.84 ? 77 THR B O 1 ATOM 2851 C CB . THR B 2 77 ? -23.560 -13.326 -25.658 1.00 16.11 ? 77 THR B CB 1 ATOM 2852 O OG1 . THR B 2 77 ? -23.456 -11.917 -25.626 1.00 15.11 ? 77 THR B OG1 1 ATOM 2853 C CG2 . THR B 2 77 ? -23.912 -13.709 -27.149 1.00 14.27 ? 77 THR B CG2 1 ATOM 2854 N N . TYR B 2 78 ? -23.343 -13.907 -22.658 1.00 15.21 ? 78 TYR B N 1 ATOM 2855 C CA . TYR B 2 78 ? -22.863 -13.513 -21.321 1.00 16.04 ? 78 TYR B CA 1 ATOM 2856 C C . TYR B 2 78 ? -21.358 -13.607 -21.296 1.00 16.81 ? 78 TYR B C 1 ATOM 2857 O O . TYR B 2 78 ? -20.779 -14.518 -21.920 1.00 16.16 ? 78 TYR B O 1 ATOM 2858 C CB . TYR B 2 78 ? -23.487 -14.380 -20.199 1.00 17.57 ? 78 TYR B CB 1 ATOM 2859 C CG . TYR B 2 78 ? -24.940 -14.119 -20.069 1.00 18.87 ? 78 TYR B CG 1 ATOM 2860 C CD1 . TYR B 2 78 ? -25.861 -14.873 -20.823 1.00 17.18 ? 78 TYR B CD1 1 ATOM 2861 C CD2 . TYR B 2 78 ? -25.437 -13.091 -19.236 1.00 19.93 ? 78 TYR B CD2 1 ATOM 2862 C CE1 . TYR B 2 78 ? -27.208 -14.646 -20.714 1.00 20.06 ? 78 TYR B CE1 1 ATOM 2863 C CE2 . TYR B 2 78 ? -26.825 -12.872 -19.160 1.00 21.15 ? 78 TYR B CE2 1 ATOM 2864 C CZ . TYR B 2 78 ? -27.673 -13.669 -19.895 1.00 20.89 ? 78 TYR B CZ 1 ATOM 2865 O OH . TYR B 2 78 ? -29.016 -13.480 -19.871 1.00 24.02 ? 78 TYR B OH 1 ATOM 2866 N N . ALA B 2 79 ? -20.724 -12.673 -20.582 1.00 14.69 ? 79 ALA B N 1 ATOM 2867 C CA . ALA B 2 79 ? -19.315 -12.667 -20.501 1.00 13.87 ? 79 ALA B CA 1 ATOM 2868 C C . ALA B 2 79 ? -18.784 -12.146 -19.151 1.00 15.57 ? 79 ALA B C 1 ATOM 2869 O O . ALA B 2 79 ? -19.503 -11.602 -18.358 1.00 15.51 ? 79 ALA B O 1 ATOM 2870 C CB . ALA B 2 79 ? -18.710 -11.802 -21.676 1.00 13.64 ? 79 ALA B CB 1 ATOM 2871 N N . CYS B 2 80 ? -17.489 -12.323 -18.957 1.00 14.15 ? 80 CYS B N 1 ATOM 2872 C CA . CYS B 2 80 ? -16.838 -11.791 -17.764 1.00 16.29 ? 80 CYS B CA 1 ATOM 2873 C C . CYS B 2 80 ? -15.601 -11.053 -18.261 1.00 14.31 ? 80 CYS B C 1 ATOM 2874 O O . CYS B 2 80 ? -14.733 -11.639 -18.989 1.00 17.10 ? 80 CYS B O 1 ATOM 2875 C CB . CYS B 2 80 ? -16.487 -12.951 -16.810 1.00 15.67 ? 80 CYS B CB 1 ATOM 2876 S SG . CYS B 2 80 ? -15.827 -12.264 -15.219 1.00 19.62 ? 80 CYS B SG 1 ATOM 2877 N N . ARG B 2 81 ? -15.479 -9.788 -17.915 1.00 13.24 ? 81 ARG B N 1 ATOM 2878 C CA . ARG B 2 81 ? -14.370 -8.990 -18.404 1.00 15.22 ? 81 ARG B CA 1 ATOM 2879 C C . ARG B 2 81 ? -13.556 -8.511 -17.193 1.00 17.54 ? 81 ARG B C 1 ATOM 2880 O O . ARG B 2 81 ? -14.109 -7.913 -16.227 1.00 18.03 ? 81 ARG B O 1 ATOM 2881 C CB . ARG B 2 81 ? -14.904 -7.763 -19.142 1.00 16.44 ? 81 ARG B CB 1 ATOM 2882 C CG . ARG B 2 81 ? -13.826 -6.883 -19.724 1.00 17.53 ? 81 ARG B CG 1 ATOM 2883 C CD . ARG B 2 81 ? -14.343 -6.072 -20.889 1.00 29.04 ? 81 ARG B CD 1 ATOM 2884 N NE . ARG B 2 81 ? -15.123 -4.958 -20.399 1.00 30.93 ? 81 ARG B NE 1 ATOM 2885 C CZ . ARG B 2 81 ? -16.122 -4.416 -21.097 1.00 39.43 ? 81 ARG B CZ 1 ATOM 2886 N NH1 . ARG B 2 81 ? -16.425 -4.921 -22.292 1.00 37.26 ? 81 ARG B NH1 1 ATOM 2887 N NH2 . ARG B 2 81 ? -16.795 -3.354 -20.621 1.00 39.15 ? 81 ARG B NH2 1 ATOM 2888 N N . VAL B 2 82 ? -12.238 -8.621 -17.346 1.00 18.11 ? 82 VAL B N 1 ATOM 2889 C CA . VAL B 2 82 ? -11.291 -8.341 -16.271 1.00 18.23 ? 82 VAL B CA 1 ATOM 2890 C C . VAL B 2 82 ? -10.261 -7.316 -16.697 1.00 16.85 ? 82 VAL B C 1 ATOM 2891 O O . VAL B 2 82 ? -9.692 -7.431 -17.790 1.00 17.79 ? 82 VAL B O 1 ATOM 2892 C CB . VAL B 2 82 ? -10.618 -9.649 -15.897 1.00 16.77 ? 82 VAL B CB 1 ATOM 2893 C CG1 . VAL B 2 82 ? -9.472 -9.485 -14.947 1.00 20.69 ? 82 VAL B CG1 1 ATOM 2894 C CG2 . VAL B 2 82 ? -11.714 -10.583 -15.262 1.00 19.47 ? 82 VAL B CG2 1 ATOM 2895 N N . LYS B 2 83 ? -10.004 -6.336 -15.835 1.00 18.35 ? 83 LYS B N 1 ATOM 2896 C CA . LYS B 2 83 ? -8.898 -5.356 -16.082 1.00 18.07 ? 83 LYS B CA 1 ATOM 2897 C C . LYS B 2 83 ? -7.834 -5.545 -14.972 1.00 18.24 ? 83 LYS B C 1 ATOM 2898 O O . LYS B 2 83 ? -8.190 -5.485 -13.798 1.00 19.65 ? 83 LYS B O 1 ATOM 2899 C CB . LYS B 2 83 ? -9.379 -3.903 -16.030 1.00 19.88 ? 83 LYS B CB 1 ATOM 2900 C CG . LYS B 2 83 ? -10.536 -3.585 -17.029 1.00 24.19 ? 83 LYS B CG 1 ATOM 2901 C CD . LYS B 2 83 ? -10.664 -2.067 -17.335 1.00 29.96 ? 83 LYS B CD 1 ATOM 2902 C CE . LYS B 2 83 ? -11.555 -1.817 -18.615 1.00 32.56 ? 83 LYS B CE 1 ATOM 2903 N NZ . LYS B 2 83 ? -11.342 -0.449 -19.209 1.00 33.03 ? 83 LYS B NZ 1 ATOM 2904 N N . HIS B 2 84 ? -6.566 -5.756 -15.343 1.00 20.05 ? 84 HIS B N 1 ATOM 2905 C CA . HIS B 2 84 ? -5.506 -6.037 -14.352 1.00 19.59 ? 84 HIS B CA 1 ATOM 2906 C C . HIS B 2 84 ? -4.171 -5.481 -14.856 1.00 20.44 ? 84 HIS B C 1 ATOM 2907 O O . HIS B 2 84 ? -3.904 -5.493 -16.086 1.00 21.56 ? 84 HIS B O 1 ATOM 2908 C CB . HIS B 2 84 ? -5.394 -7.559 -14.165 1.00 17.82 ? 84 HIS B CB 1 ATOM 2909 C CG . HIS B 2 84 ? -4.455 -7.958 -13.065 1.00 17.44 ? 84 HIS B CG 1 ATOM 2910 N ND1 . HIS B 2 84 ? -3.190 -8.413 -13.313 1.00 19.80 ? 84 HIS B ND1 1 ATOM 2911 C CD2 . HIS B 2 84 ? -4.607 -7.969 -11.716 1.00 15.68 ? 84 HIS B CD2 1 ATOM 2912 C CE1 . HIS B 2 84 ? -2.561 -8.625 -12.162 1.00 20.29 ? 84 HIS B CE1 1 ATOM 2913 N NE2 . HIS B 2 84 ? -3.420 -8.404 -11.177 1.00 18.21 ? 84 HIS B NE2 1 ATOM 2914 N N . ALA B 2 85 ? -3.316 -5.048 -13.941 1.00 20.65 ? 85 ALA B N 1 ATOM 2915 C CA . ALA B 2 85 ? -2.090 -4.375 -14.376 1.00 21.83 ? 85 ALA B CA 1 ATOM 2916 C C . ALA B 2 85 ? -1.252 -5.285 -15.294 1.00 20.70 ? 85 ALA B C 1 ATOM 2917 O O . ALA B 2 85 ? -0.486 -4.768 -16.104 1.00 22.02 ? 85 ALA B O 1 ATOM 2918 C CB . ALA B 2 85 ? -1.255 -3.825 -13.180 1.00 21.92 ? 85 ALA B CB 1 ATOM 2919 N N . SER B 2 86 ? -1.436 -6.613 -15.195 1.00 20.83 ? 86 SER B N 1 ATOM 2920 C CA . SER B 2 86 ? -0.650 -7.591 -15.944 1.00 21.46 ? 86 SER B CA 1 ATOM 2921 C C . SER B 2 86 ? -0.952 -7.642 -17.439 1.00 23.33 ? 86 SER B C 1 ATOM 2922 O O . SER B 2 86 ? -0.236 -8.333 -18.195 1.00 24.37 ? 86 SER B O 1 ATOM 2923 C CB . SER B 2 86 ? -0.822 -9.003 -15.359 1.00 21.35 ? 86 SER B CB 1 ATOM 2924 O OG . SER B 2 86 ? -2.133 -9.485 -15.644 1.00 18.30 ? 86 SER B OG 1 ATOM 2925 N N . MET B 2 87 ? -2.013 -6.949 -17.865 1.00 24.13 ? 87 MET B N 1 ATOM 2926 C CA . MET B 2 87 ? -2.486 -7.012 -19.251 1.00 24.22 ? 87 MET B CA 1 ATOM 2927 C C . MET B 2 87 ? -2.661 -5.618 -19.815 1.00 24.98 ? 87 MET B C 1 ATOM 2928 O O . MET B 2 87 ? -3.078 -4.710 -19.107 1.00 25.77 ? 87 MET B O 1 ATOM 2929 C CB . MET B 2 87 ? -3.818 -7.741 -19.323 1.00 24.48 ? 87 MET B CB 1 ATOM 2930 C CG . MET B 2 87 ? -3.751 -9.153 -18.744 1.00 23.32 ? 87 MET B CG 1 ATOM 2931 S SD . MET B 2 87 ? -5.332 -10.023 -18.798 1.00 28.44 ? 87 MET B SD 1 ATOM 2932 C CE . MET B 2 87 ? -6.361 -9.059 -17.731 1.00 23.21 ? 87 MET B CE 1 ATOM 2933 N N . ALA B 2 88 ? -2.376 -5.430 -21.100 1.00 26.40 ? 88 ALA B N 1 ATOM 2934 C CA . ALA B 2 88 ? -2.408 -4.061 -21.625 1.00 25.83 ? 88 ALA B CA 1 ATOM 2935 C C . ALA B 2 88 ? -3.845 -3.646 -21.928 1.00 26.26 ? 88 ALA B C 1 ATOM 2936 O O . ALA B 2 88 ? -4.167 -2.445 -21.870 1.00 26.60 ? 88 ALA B O 1 ATOM 2937 C CB . ALA B 2 88 ? -1.510 -3.904 -22.856 1.00 26.89 ? 88 ALA B CB 1 ATOM 2938 N N . GLU B 2 89 ? -4.692 -4.650 -22.199 1.00 25.68 ? 89 GLU B N 1 ATOM 2939 C CA . GLU B 2 89 ? -6.104 -4.509 -22.580 1.00 25.50 ? 89 GLU B CA 1 ATOM 2940 C C . GLU B 2 89 ? -6.923 -5.426 -21.678 1.00 24.96 ? 89 GLU B C 1 ATOM 2941 O O . GLU B 2 89 ? -6.368 -6.374 -21.144 1.00 23.64 ? 89 GLU B O 1 ATOM 2942 C CB . GLU B 2 89 ? -6.286 -4.975 -24.028 1.00 26.91 ? 89 GLU B CB 1 ATOM 2943 C CG . GLU B 2 89 ? -5.224 -4.426 -24.975 1.00 31.59 ? 89 GLU B CG 1 ATOM 2944 C CD . GLU B 2 89 ? -5.547 -2.997 -25.379 1.00 38.82 ? 89 GLU B CD 1 ATOM 2945 O OE1 . GLU B 2 89 ? -6.692 -2.557 -25.092 1.00 42.16 ? 89 GLU B OE1 1 ATOM 2946 O OE2 . GLU B 2 89 ? -4.689 -2.322 -25.998 1.00 41.93 ? 89 GLU B OE2 1 ATOM 2947 N N . PRO B 2 90 ? -8.220 -5.119 -21.461 1.00 24.28 ? 90 PRO B N 1 ATOM 2948 C CA . PRO B 2 90 ? -9.124 -5.948 -20.650 1.00 23.90 ? 90 PRO B CA 1 ATOM 2949 C C . PRO B 2 90 ? -9.269 -7.260 -21.366 1.00 23.42 ? 90 PRO B C 1 ATOM 2950 O O . PRO B 2 90 ? -9.296 -7.289 -22.610 1.00 23.09 ? 90 PRO B O 1 ATOM 2951 C CB . PRO B 2 90 ? -10.466 -5.182 -20.734 1.00 24.37 ? 90 PRO B CB 1 ATOM 2952 C CG . PRO B 2 90 ? -10.026 -3.758 -21.075 1.00 24.26 ? 90 PRO B CG 1 ATOM 2953 C CD . PRO B 2 90 ? -8.970 -4.025 -22.092 1.00 24.80 ? 90 PRO B CD 1 ATOM 2954 N N . LYS B 2 91 ? -9.380 -8.338 -20.591 1.00 21.99 ? 91 LYS B N 1 ATOM 2955 C CA . LYS B 2 91 ? -9.512 -9.632 -21.140 1.00 20.90 ? 91 LYS B CA 1 ATOM 2956 C C . LYS B 2 91 ? -10.953 -10.066 -20.898 1.00 19.83 ? 91 LYS B C 1 ATOM 2957 O O . LYS B 2 91 ? -11.473 -9.956 -19.799 1.00 18.40 ? 91 LYS B O 1 ATOM 2958 C CB . LYS B 2 91 ? -8.561 -10.566 -20.403 1.00 22.21 ? 91 LYS B CB 1 ATOM 2959 C CG . LYS B 2 91 ? -8.685 -12.095 -20.720 1.00 25.35 ? 91 LYS B CG 1 ATOM 2960 C CD . LYS B 2 91 ? -7.803 -12.785 -19.673 1.00 29.77 ? 91 LYS B CD 1 ATOM 2961 C CE . LYS B 2 91 ? -7.653 -14.289 -19.847 1.00 35.58 ? 91 LYS B CE 1 ATOM 2962 N NZ . LYS B 2 91 ? -6.381 -14.680 -19.078 1.00 33.35 ? 91 LYS B NZ 1 ATOM 2963 N N . THR B 2 92 ? -11.600 -10.576 -21.939 1.00 18.59 ? 92 THR B N 1 ATOM 2964 C CA . THR B 2 92 ? -12.996 -10.920 -21.804 1.00 18.37 ? 92 THR B CA 1 ATOM 2965 C C . THR B 2 92 ? -13.166 -12.359 -22.109 1.00 17.30 ? 92 THR B C 1 ATOM 2966 O O . THR B 2 92 ? -12.673 -12.815 -23.135 1.00 18.31 ? 92 THR B O 1 ATOM 2967 C CB . THR B 2 92 ? -13.811 -10.204 -22.840 1.00 18.28 ? 92 THR B CB 1 ATOM 2968 O OG1 . THR B 2 92 ? -13.638 -8.812 -22.659 1.00 20.57 ? 92 THR B OG1 1 ATOM 2969 C CG2 . THR B 2 92 ? -15.307 -10.580 -22.672 1.00 16.22 ? 92 THR B CG2 1 ATOM 2970 N N . VAL B 2 93 ? -13.897 -13.069 -21.272 1.00 17.92 ? 93 VAL B N 1 ATOM 2971 C CA . VAL B 2 93 ? -14.230 -14.481 -21.529 1.00 17.30 ? 93 VAL B CA 1 ATOM 2972 C C . VAL B 2 93 ? -15.739 -14.706 -21.567 1.00 16.56 ? 93 VAL B C 1 ATOM 2973 O O . VAL B 2 93 ? -16.470 -14.388 -20.642 1.00 16.63 ? 93 VAL B O 1 ATOM 2974 C CB . VAL B 2 93 ? -13.593 -15.485 -20.455 1.00 19.52 ? 93 VAL B CB 1 ATOM 2975 C CG1 . VAL B 2 93 ? -14.157 -16.862 -20.636 1.00 19.24 ? 93 VAL B CG1 1 ATOM 2976 C CG2 . VAL B 2 93 ? -12.038 -15.483 -20.643 1.00 20.71 ? 93 VAL B CG2 1 ATOM 2977 N N . TYR B 2 94 ? -16.212 -15.231 -22.717 1.00 17.15 ? 94 TYR B N 1 ATOM 2978 C CA . TYR B 2 94 ? -17.617 -15.496 -22.918 1.00 14.44 ? 94 TYR B CA 1 ATOM 2979 C C . TYR B 2 94 ? -17.994 -16.810 -22.326 1.00 16.10 ? 94 TYR B C 1 ATOM 2980 O O . TYR B 2 94 ? -17.270 -17.830 -22.487 1.00 18.17 ? 94 TYR B O 1 ATOM 2981 C CB . TYR B 2 94 ? -18.012 -15.466 -24.436 1.00 13.48 ? 94 TYR B CB 1 ATOM 2982 C CG . TYR B 2 94 ? -18.153 -14.041 -24.880 1.00 11.12 ? 94 TYR B CG 1 ATOM 2983 C CD1 . TYR B 2 94 ? -17.049 -13.255 -25.150 1.00 14.39 ? 94 TYR B CD1 1 ATOM 2984 C CD2 . TYR B 2 94 ? -19.414 -13.437 -24.927 1.00 12.67 ? 94 TYR B CD2 1 ATOM 2985 C CE1 . TYR B 2 94 ? -17.193 -11.937 -25.482 1.00 15.75 ? 94 TYR B CE1 1 ATOM 2986 C CE2 . TYR B 2 94 ? -19.553 -12.075 -25.253 1.00 13.16 ? 94 TYR B CE2 1 ATOM 2987 C CZ . TYR B 2 94 ? -18.467 -11.358 -25.517 1.00 16.71 ? 94 TYR B CZ 1 ATOM 2988 O OH . TYR B 2 94 ? -18.611 -10.026 -25.856 1.00 23.17 ? 94 TYR B OH 1 ATOM 2989 N N . TRP B 2 95 ? -19.166 -16.825 -21.730 1.00 15.73 ? 95 TRP B N 1 ATOM 2990 C CA . TRP B 2 95 ? -19.761 -18.036 -21.296 1.00 16.63 ? 95 TRP B CA 1 ATOM 2991 C C . TRP B 2 95 ? -19.965 -18.886 -22.567 1.00 20.29 ? 95 TRP B C 1 ATOM 2992 O O . TRP B 2 95 ? -20.556 -18.386 -23.566 1.00 19.76 ? 95 TRP B O 1 ATOM 2993 C CB . TRP B 2 95 ? -21.085 -17.662 -20.696 1.00 17.67 ? 95 TRP B CB 1 ATOM 2994 C CG . TRP B 2 95 ? -21.883 -18.817 -20.202 1.00 20.22 ? 95 TRP B CG 1 ATOM 2995 C CD1 . TRP B 2 95 ? -21.421 -19.873 -19.410 1.00 20.12 ? 95 TRP B CD1 1 ATOM 2996 C CD2 . TRP B 2 95 ? -23.257 -19.111 -20.508 1.00 20.54 ? 95 TRP B CD2 1 ATOM 2997 N NE1 . TRP B 2 95 ? -22.458 -20.759 -19.167 1.00 17.91 ? 95 TRP B NE1 1 ATOM 2998 C CE2 . TRP B 2 95 ? -23.582 -20.329 -19.832 1.00 18.70 ? 95 TRP B CE2 1 ATOM 2999 C CE3 . TRP B 2 95 ? -24.243 -18.470 -21.285 1.00 19.38 ? 95 TRP B CE3 1 ATOM 3000 C CZ2 . TRP B 2 95 ? -24.860 -20.897 -19.887 1.00 19.47 ? 95 TRP B CZ2 1 ATOM 3001 C CZ3 . TRP B 2 95 ? -25.519 -19.045 -21.354 1.00 22.79 ? 95 TRP B CZ3 1 ATOM 3002 C CH2 . TRP B 2 95 ? -25.804 -20.251 -20.665 1.00 21.19 ? 95 TRP B CH2 1 ATOM 3003 N N . ASP B 2 96 ? -19.586 -20.168 -22.532 1.00 21.67 ? 96 ASP B N 1 ATOM 3004 C CA . ASP B 2 96 ? -19.575 -21.041 -23.762 1.00 22.64 ? 96 ASP B CA 1 ATOM 3005 C C . ASP B 2 96 ? -20.897 -21.722 -23.989 1.00 24.21 ? 96 ASP B C 1 ATOM 3006 O O . ASP B 2 96 ? -21.041 -22.613 -24.913 1.00 24.35 ? 96 ASP B O 1 ATOM 3007 C CB . ASP B 2 96 ? -18.496 -22.096 -23.611 1.00 22.50 ? 96 ASP B CB 1 ATOM 3008 C CG . ASP B 2 96 ? -18.885 -23.207 -22.566 1.00 26.91 ? 96 ASP B CG 1 ATOM 3009 O OD1 . ASP B 2 96 ? -19.997 -23.098 -21.925 1.00 21.65 ? 96 ASP B OD1 1 ATOM 3010 O OD2 . ASP B 2 96 ? -18.087 -24.209 -22.464 1.00 26.39 ? 96 ASP B OD2 1 ATOM 3011 N N . ARG B 2 97 ? -21.849 -21.338 -23.136 1.00 25.35 ? 97 ARG B N 1 ATOM 3012 C CA . ARG B 2 97 ? -23.290 -21.703 -23.180 1.00 25.99 ? 97 ARG B CA 1 ATOM 3013 C C . ARG B 2 97 ? -23.657 -23.067 -22.568 1.00 26.81 ? 97 ARG B C 1 ATOM 3014 O O . ARG B 2 97 ? -24.803 -23.471 -22.570 1.00 27.07 ? 97 ARG B O 1 ATOM 3015 C CB . ARG B 2 97 ? -23.895 -21.582 -24.597 1.00 26.59 ? 97 ARG B CB 1 ATOM 3016 C CG . ARG B 2 97 ? -23.428 -20.346 -25.360 1.00 27.33 ? 97 ARG B CG 1 ATOM 3017 C CD . ARG B 2 97 ? -24.315 -20.150 -26.593 1.00 28.96 ? 97 ARG B CD 1 ATOM 3018 N NE . ARG B 2 97 ? -25.708 -19.785 -26.267 1.00 24.20 ? 97 ARG B NE 1 ATOM 3019 C CZ . ARG B 2 97 ? -26.074 -18.565 -25.854 1.00 32.17 ? 97 ARG B CZ 1 ATOM 3020 N NH1 . ARG B 2 97 ? -25.174 -17.605 -25.688 1.00 26.91 ? 97 ARG B NH1 1 ATOM 3021 N NH2 . ARG B 2 97 ? -27.350 -18.284 -25.617 1.00 34.31 ? 97 ARG B NH2 1 ATOM 3022 N N . ASP B 2 98 ? -22.675 -23.744 -22.017 1.00 27.27 ? 98 ASP B N 1 ATOM 3023 C CA . ASP B 2 98 ? -22.847 -25.143 -21.649 1.00 27.78 ? 98 ASP B CA 1 ATOM 3024 C C . ASP B 2 98 ? -22.462 -25.242 -20.176 1.00 27.18 ? 98 ASP B C 1 ATOM 3025 O O . ASP B 2 98 ? -23.174 -25.889 -19.406 1.00 25.33 ? 98 ASP B O 1 ATOM 3026 C CB . ASP B 2 98 ? -21.890 -25.950 -22.489 1.00 26.73 ? 98 ASP B CB 1 ATOM 3027 C CG . ASP B 2 98 ? -22.340 -26.015 -23.870 1.00 31.41 ? 98 ASP B CG 1 ATOM 3028 O OD1 . ASP B 2 98 ? -23.462 -25.539 -24.054 1.00 33.72 ? 98 ASP B OD1 1 ATOM 3029 O OD2 . ASP B 2 98 ? -21.635 -26.563 -24.760 1.00 30.95 ? 98 ASP B OD2 1 ATOM 3030 N N . MET B 2 99 ? -21.330 -24.571 -19.841 1.00 27.05 ? 99 MET B N 1 ATOM 3031 C CA . MET B 2 99 ? -20.712 -24.585 -18.492 1.00 27.45 ? 99 MET B CA 1 ATOM 3032 C C . MET B 2 99 ? -21.694 -23.992 -17.483 1.00 24.55 ? 99 MET B C 1 ATOM 3033 O O . MET B 2 99 ? -21.790 -24.408 -16.368 1.00 24.19 ? 99 MET B O 1 ATOM 3034 C CB . MET B 2 99 ? -19.330 -23.889 -18.502 1.00 26.58 ? 99 MET B CB 1 ATOM 3035 C CG . MET B 2 99 ? -18.161 -24.883 -18.647 1.00 33.45 ? 99 MET B CG 1 ATOM 3036 S SD . MET B 2 99 ? -16.595 -23.991 -18.737 1.00 41.89 ? 99 MET B SD 1 ATOM 3037 C CE . MET B 2 99 ? -16.171 -23.608 -17.017 1.00 34.33 ? 99 MET B CE 1 ATOM 3038 O OXT . MET B 2 99 ? -22.537 -23.142 -17.811 1.00 26.16 ? 99 MET B OXT 1 HETATM 3039 C C1 . NAG C 3 . ? -0.783 7.029 -3.107 1.00 59.57 ? 288 NAG A C1 1 HETATM 3040 C C2 . NAG C 3 . ? -1.178 8.487 -3.469 1.00 66.89 ? 288 NAG A C2 1 HETATM 3041 C C3 . NAG C 3 . ? -2.244 8.686 -4.562 1.00 65.98 ? 288 NAG A C3 1 HETATM 3042 C C4 . NAG C 3 . ? -3.097 7.447 -4.880 1.00 66.00 ? 288 NAG A C4 1 HETATM 3043 C C5 . NAG C 3 . ? -2.834 6.381 -3.817 1.00 65.29 ? 288 NAG A C5 1 HETATM 3044 C C6 . NAG C 3 . ? -3.604 5.083 -4.002 1.00 63.81 ? 288 NAG A C6 1 HETATM 3045 C C7 . NAG C 3 . ? -0.970 10.343 -1.881 1.00 73.84 ? 288 NAG A C7 1 HETATM 3046 C C8 . NAG C 3 . ? -1.496 11.073 -0.662 1.00 74.28 ? 288 NAG A C8 1 HETATM 3047 N N2 . NAG C 3 . ? -1.615 9.243 -2.289 1.00 71.03 ? 288 NAG A N2 1 HETATM 3048 O O3 . NAG C 3 . ? -1.559 9.152 -5.708 1.00 68.00 ? 288 NAG A O3 1 HETATM 3049 O O4 . NAG C 3 . ? -4.482 7.734 -4.906 1.00 66.91 ? 288 NAG A O4 1 HETATM 3050 O O5 . NAG C 3 . ? -1.465 6.104 -3.921 1.00 62.51 ? 288 NAG A O5 1 HETATM 3051 O O6 . NAG C 3 . ? -3.094 4.484 -5.162 1.00 64.98 ? 288 NAG A O6 1 HETATM 3052 O O7 . NAG C 3 . ? 0.031 10.755 -2.477 1.00 75.22 ? 288 NAG A O7 1 HETATM 3053 C C1 . NAG D 3 . ? -7.114 1.501 6.062 1.00 33.59 ? 289 NAG A C1 1 HETATM 3054 C C2 . NAG D 3 . ? -7.184 2.810 5.322 1.00 40.18 ? 289 NAG A C2 1 HETATM 3055 C C3 . NAG D 3 . ? -6.307 3.785 6.078 1.00 40.92 ? 289 NAG A C3 1 HETATM 3056 C C4 . NAG D 3 . ? -6.720 3.988 7.501 1.00 44.99 ? 289 NAG A C4 1 HETATM 3057 C C5 . NAG D 3 . ? -6.468 2.602 8.027 1.00 43.65 ? 289 NAG A C5 1 HETATM 3058 C C6 . NAG D 3 . ? -6.573 2.616 9.537 1.00 44.31 ? 289 NAG A C6 1 HETATM 3059 C C7 . NAG D 3 . ? -7.543 2.866 2.870 1.00 45.79 ? 289 NAG A C7 1 HETATM 3060 C C8 . NAG D 3 . ? -6.990 2.791 1.477 1.00 42.78 ? 289 NAG A C8 1 HETATM 3061 N N2 . NAG D 3 . ? -6.732 2.734 3.937 1.00 40.30 ? 289 NAG A N2 1 HETATM 3062 O O3 . NAG D 3 . ? -6.297 4.965 5.380 1.00 42.38 ? 289 NAG A O3 1 HETATM 3063 O O4 . NAG D 3 . ? -5.804 4.789 8.201 1.00 52.42 ? 289 NAG A O4 1 HETATM 3064 O O5 . NAG D 3 . ? -7.419 1.733 7.433 1.00 36.59 ? 289 NAG A O5 1 HETATM 3065 O O6 . NAG D 3 . ? -7.740 3.330 9.765 1.00 48.46 ? 289 NAG A O6 1 HETATM 3066 O O7 . NAG D 3 . ? -8.759 3.046 2.988 1.00 46.24 ? 289 NAG A O7 1 HETATM 3067 C C1 . NAG E 3 . ? -6.347 6.083 8.516 1.00 62.70 ? 290 NAG A C1 1 HETATM 3068 C C2 . NAG E 3 . ? -5.391 6.795 9.478 1.00 64.87 ? 290 NAG A C2 1 HETATM 3069 C C3 . NAG E 3 . ? -5.908 8.172 9.812 1.00 67.67 ? 290 NAG A C3 1 HETATM 3070 C C4 . NAG E 3 . ? -6.219 8.956 8.547 1.00 68.87 ? 290 NAG A C4 1 HETATM 3071 C C5 . NAG E 3 . ? -7.217 8.127 7.732 1.00 68.19 ? 290 NAG A C5 1 HETATM 3072 C C6 . NAG E 3 . ? -7.720 8.871 6.499 1.00 68.50 ? 290 NAG A C6 1 HETATM 3073 C C7 . NAG E 3 . ? -4.404 5.249 10.998 1.00 65.63 ? 290 NAG A C7 1 HETATM 3074 C C8 . NAG E 3 . ? -3.310 5.172 9.948 1.00 63.81 ? 290 NAG A C8 1 HETATM 3075 N N2 . NAG E 3 . ? -5.402 6.071 10.719 1.00 64.99 ? 290 NAG A N2 1 HETATM 3076 O O3 . NAG E 3 . ? -4.941 8.817 10.606 1.00 69.07 ? 290 NAG A O3 1 HETATM 3077 O O4 . NAG E 3 . ? -6.797 10.171 8.974 1.00 71.21 ? 290 NAG A O4 1 HETATM 3078 O O5 . NAG E 3 . ? -6.627 6.876 7.368 1.00 65.20 ? 290 NAG A O5 1 HETATM 3079 O O6 . NAG E 3 . ? -6.754 8.819 5.472 1.00 69.66 ? 290 NAG A O6 1 HETATM 3080 O O7 . NAG E 3 . ? -4.392 4.592 12.047 1.00 62.72 ? 290 NAG A O7 1 HETATM 3081 C C1 . BMA F 4 . ? -6.162 11.350 8.413 1.00 71.80 ? 291 BMA A C1 1 HETATM 3082 C C2 . BMA F 4 . ? -7.254 12.422 8.261 1.00 70.20 ? 291 BMA A C2 1 HETATM 3083 C C3 . BMA F 4 . ? -6.763 13.810 7.828 1.00 70.40 ? 291 BMA A C3 1 HETATM 3084 C C4 . BMA F 4 . ? -5.468 14.129 8.593 1.00 72.27 ? 291 BMA A C4 1 HETATM 3085 C C5 . BMA F 4 . ? -4.518 12.944 8.434 1.00 73.69 ? 291 BMA A C5 1 HETATM 3086 C C6 . BMA F 4 . ? -3.073 13.230 8.839 1.00 74.93 ? 291 BMA A C6 1 HETATM 3087 O O2 . BMA F 4 . ? -7.919 12.499 9.507 1.00 68.46 ? 291 BMA A O2 1 HETATM 3088 O O3 . BMA F 4 . ? -7.797 14.774 8.060 1.00 67.08 ? 291 BMA A O3 1 HETATM 3089 O O4 . BMA F 4 . ? -4.846 15.300 8.109 1.00 74.97 ? 291 BMA A O4 1 HETATM 3090 O O5 . BMA F 4 . ? -5.075 11.869 9.175 1.00 73.04 ? 291 BMA A O5 1 HETATM 3091 O O6 . BMA F 4 . ? -2.370 12.017 9.022 1.00 76.79 ? 291 BMA A O6 1 HETATM 3092 C C1 . MAN G 5 . ? -8.544 15.226 6.881 1.00 63.70 ? 292 MAN A C1 1 HETATM 3093 C C2 . MAN G 5 . ? -9.287 16.531 7.221 1.00 62.37 ? 292 MAN A C2 1 HETATM 3094 C C3 . MAN G 5 . ? -10.484 16.270 8.124 1.00 57.61 ? 292 MAN A C3 1 HETATM 3095 C C4 . MAN G 5 . ? -11.347 15.176 7.496 1.00 52.92 ? 292 MAN A C4 1 HETATM 3096 C C5 . MAN G 5 . ? -10.536 13.923 7.120 1.00 54.25 ? 292 MAN A C5 1 HETATM 3097 C C6 . MAN G 5 . ? -11.442 12.888 6.451 1.00 51.00 ? 292 MAN A C6 1 HETATM 3098 O O2 . MAN G 5 . ? -9.804 17.070 6.031 1.00 68.22 ? 292 MAN A O2 1 HETATM 3099 O O3 . MAN G 5 . ? -11.305 17.426 8.265 1.00 54.49 ? 292 MAN A O3 1 HETATM 3100 O O4 . MAN G 5 . ? -12.339 14.894 8.459 1.00 47.72 ? 292 MAN A O4 1 HETATM 3101 O O5 . MAN G 5 . ? -9.457 14.291 6.267 1.00 60.30 ? 292 MAN A O5 1 HETATM 3102 O O6 . MAN G 5 . ? -10.873 11.586 6.531 1.00 46.49 ? 292 MAN A O6 1 HETATM 3103 C C1 . MAN H 5 . ? -8.930 18.103 5.527 1.00 75.48 ? 293 MAN A C1 1 HETATM 3104 C C2 . MAN H 5 . ? -9.721 18.802 4.419 1.00 77.32 ? 293 MAN A C2 1 HETATM 3105 C C3 . MAN H 5 . ? -9.959 17.865 3.245 1.00 78.61 ? 293 MAN A C3 1 HETATM 3106 C C4 . MAN H 5 . ? -8.661 17.131 2.875 1.00 80.65 ? 293 MAN A C4 1 HETATM 3107 C C5 . MAN H 5 . ? -7.962 16.523 4.118 1.00 80.69 ? 293 MAN A C5 1 HETATM 3108 C C6 . MAN H 5 . ? -6.722 15.664 3.773 1.00 81.02 ? 293 MAN A C6 1 HETATM 3109 O O2 . MAN H 5 . ? -9.039 19.947 3.947 1.00 79.46 ? 293 MAN A O2 1 HETATM 3110 O O3 . MAN H 5 . ? -10.436 18.641 2.167 1.00 78.04 ? 293 MAN A O3 1 HETATM 3111 O O4 . MAN H 5 . ? -8.923 16.128 1.905 1.00 82.56 ? 293 MAN A O4 1 HETATM 3112 O O5 . MAN H 5 . ? -7.692 17.583 5.039 1.00 78.62 ? 293 MAN A O5 1 HETATM 3113 O O6 . MAN H 5 . ? -6.305 14.830 4.842 1.00 80.22 ? 293 MAN A O6 1 HETATM 3114 C C1 . NAG I 3 . ? 5.875 -23.593 20.870 1.00 26.58 ? 294 NAG A C1 1 HETATM 3115 C C2 . NAG I 3 . ? 6.779 -23.458 22.088 1.00 27.69 ? 294 NAG A C2 1 HETATM 3116 C C3 . NAG I 3 . ? 8.225 -23.447 21.591 1.00 28.07 ? 294 NAG A C3 1 HETATM 3117 C C4 . NAG I 3 . ? 8.555 -24.598 20.641 1.00 31.35 ? 294 NAG A C4 1 HETATM 3118 C C5 . NAG I 3 . ? 7.515 -24.676 19.519 1.00 31.51 ? 294 NAG A C5 1 HETATM 3119 C C6 . NAG I 3 . ? 7.780 -25.945 18.699 1.00 30.66 ? 294 NAG A C6 1 HETATM 3120 C C7 . NAG I 3 . ? 5.554 -22.233 23.786 1.00 30.80 ? 294 NAG A C7 1 HETATM 3121 C C8 . NAG I 3 . ? 5.204 -21.051 24.651 1.00 28.12 ? 294 NAG A C8 1 HETATM 3122 N N2 . NAG I 3 . ? 6.512 -22.206 22.818 1.00 28.99 ? 294 NAG A N2 1 HETATM 3123 O O3 . NAG I 3 . ? 9.108 -23.385 22.694 1.00 31.19 ? 294 NAG A O3 1 HETATM 3124 O O4 . NAG I 3 . ? 9.801 -24.394 19.992 1.00 32.79 ? 294 NAG A O4 1 HETATM 3125 O O5 . NAG I 3 . ? 6.264 -24.763 20.115 1.00 27.92 ? 294 NAG A O5 1 HETATM 3126 O O6 . NAG I 3 . ? 6.789 -26.010 17.687 1.00 35.57 ? 294 NAG A O6 1 HETATM 3127 O O7 . NAG I 3 . ? 4.911 -23.256 23.995 1.00 33.02 ? 294 NAG A O7 1 HETATM 3128 C C1 . NAG J 3 . ? 10.865 -25.157 20.612 1.00 35.41 ? 295 NAG A C1 1 HETATM 3129 C C2 . NAG J 3 . ? 12.001 -25.338 19.621 1.00 37.94 ? 295 NAG A C2 1 HETATM 3130 C C3 . NAG J 3 . ? 13.253 -26.003 20.260 1.00 37.58 ? 295 NAG A C3 1 HETATM 3131 C C4 . NAG J 3 . ? 13.669 -25.201 21.502 1.00 39.64 ? 295 NAG A C4 1 HETATM 3132 C C5 . NAG J 3 . ? 12.463 -25.039 22.439 1.00 39.19 ? 295 NAG A C5 1 HETATM 3133 C C6 . NAG J 3 . ? 12.923 -24.083 23.558 1.00 36.65 ? 295 NAG A C6 1 HETATM 3134 C C7 . NAG J 3 . ? 11.870 -25.629 17.239 1.00 37.41 ? 295 NAG A C7 1 HETATM 3135 C C8 . NAG J 3 . ? 11.432 -26.397 16.038 1.00 39.00 ? 295 NAG A C8 1 HETATM 3136 N N2 . NAG J 3 . ? 11.574 -26.105 18.461 1.00 36.73 ? 295 NAG A N2 1 HETATM 3137 O O3 . NAG J 3 . ? 14.303 -26.058 19.291 1.00 37.26 ? 295 NAG A O3 1 HETATM 3138 O O4 . NAG J 3 . ? 14.650 -25.818 22.329 1.00 42.36 ? 295 NAG A O4 1 HETATM 3139 O O5 . NAG J 3 . ? 11.347 -24.445 21.756 1.00 38.36 ? 295 NAG A O5 1 HETATM 3140 O O6 . NAG J 3 . ? 11.837 -23.334 24.073 1.00 38.46 ? 295 NAG A O6 1 HETATM 3141 O O7 . NAG J 3 . ? 12.437 -24.571 17.048 1.00 41.12 ? 295 NAG A O7 1 HETATM 3142 C C1 . BMA K 4 . ? 15.956 -25.344 22.073 1.00 45.84 ? 296 BMA A C1 1 HETATM 3143 C C2 . BMA K 4 . ? 16.747 -25.577 23.349 1.00 47.51 ? 296 BMA A C2 1 HETATM 3144 C C3 . BMA K 4 . ? 18.250 -25.360 23.146 1.00 52.05 ? 296 BMA A C3 1 HETATM 3145 C C4 . BMA K 4 . ? 18.767 -26.142 21.915 1.00 48.95 ? 296 BMA A C4 1 HETATM 3146 C C5 . BMA K 4 . ? 17.817 -25.966 20.729 1.00 45.15 ? 296 BMA A C5 1 HETATM 3147 C C6 . BMA K 4 . ? 18.116 -26.923 19.573 1.00 44.30 ? 296 BMA A C6 1 HETATM 3148 O O2 . BMA K 4 . ? 16.592 -26.961 23.589 1.00 45.79 ? 296 BMA A O2 1 HETATM 3149 O O3 . BMA K 4 . ? 18.906 -25.914 24.274 1.00 57.12 ? 296 BMA A O3 1 HETATM 3150 O O4 . BMA K 4 . ? 20.112 -25.769 21.569 1.00 48.40 ? 296 BMA A O4 1 HETATM 3151 O O5 . BMA K 4 . ? 16.479 -26.236 21.099 1.00 47.71 ? 296 BMA A O5 1 HETATM 3152 O O6 . BMA K 4 . ? 17.372 -26.389 18.500 1.00 42.85 ? 296 BMA A O6 1 HETATM 3153 C C1 . MAN L 5 . ? 17.973 -26.812 17.260 1.00 45.05 ? 297 MAN A C1 1 HETATM 3154 C C2 . MAN L 5 . ? 17.218 -26.259 16.066 1.00 45.60 ? 297 MAN A C2 1 HETATM 3155 C C3 . MAN L 5 . ? 15.768 -26.676 16.210 1.00 43.93 ? 297 MAN A C3 1 HETATM 3156 C C4 . MAN L 5 . ? 15.690 -28.183 16.174 1.00 44.48 ? 297 MAN A C4 1 HETATM 3157 C C5 . MAN L 5 . ? 16.622 -28.761 17.247 1.00 47.24 ? 297 MAN A C5 1 HETATM 3158 C C6 . MAN L 5 . ? 16.688 -30.298 17.165 1.00 50.26 ? 297 MAN A C6 1 HETATM 3159 O O2 . MAN L 5 . ? 17.781 -26.771 14.833 1.00 43.93 ? 297 MAN A O2 1 HETATM 3160 O O3 . MAN L 5 . ? 15.073 -26.242 15.076 1.00 45.40 ? 297 MAN A O3 1 HETATM 3161 O O4 . MAN L 5 . ? 14.324 -28.527 16.361 1.00 45.88 ? 297 MAN A O4 1 HETATM 3162 O O5 . MAN L 5 . ? 17.949 -28.209 17.171 1.00 41.44 ? 297 MAN A O5 1 HETATM 3163 O O6 . MAN L 5 . ? 17.692 -30.775 18.074 1.00 52.92 ? 297 MAN A O6 1 HETATM 3164 C C1 . MAN M 5 . ? 19.559 -24.848 24.981 1.00 63.47 ? 298 MAN A C1 1 HETATM 3165 C C2 . MAN M 5 . ? 20.459 -25.623 25.908 1.00 65.51 ? 298 MAN A C2 1 HETATM 3166 C C3 . MAN M 5 . ? 19.523 -26.454 26.797 1.00 67.14 ? 298 MAN A C3 1 HETATM 3167 C C4 . MAN M 5 . ? 18.832 -25.415 27.679 1.00 67.87 ? 298 MAN A C4 1 HETATM 3168 C C5 . MAN M 5 . ? 17.939 -24.571 26.752 1.00 68.09 ? 298 MAN A C5 1 HETATM 3169 C C6 . MAN M 5 . ? 17.146 -23.527 27.538 1.00 68.62 ? 298 MAN A C6 1 HETATM 3170 O O2 . MAN M 5 . ? 21.129 -24.613 26.609 1.00 67.24 ? 298 MAN A O2 1 HETATM 3171 O O3 . MAN M 5 . ? 20.169 -27.505 27.497 1.00 65.59 ? 298 MAN A O3 1 HETATM 3172 O O4 . MAN M 5 . ? 18.105 -25.971 28.748 1.00 67.09 ? 298 MAN A O4 1 HETATM 3173 O O5 . MAN M 5 . ? 18.720 -23.954 25.726 1.00 65.86 ? 298 MAN A O5 1 HETATM 3174 O O6 . MAN M 5 . ? 15.976 -23.223 26.802 1.00 71.16 ? 298 MAN A O6 1 HETATM 3175 C C1 . FUC N 6 . ? 7.177 -25.656 16.304 1.00 39.59 ? 299 FUC A C1 1 HETATM 3176 C C2 . FUC N 6 . ? 6.104 -26.230 15.334 1.00 42.98 ? 299 FUC A C2 1 HETATM 3177 C C3 . FUC N 6 . ? 4.713 -25.721 15.784 1.00 43.58 ? 299 FUC A C3 1 HETATM 3178 C C4 . FUC N 6 . ? 4.733 -24.190 15.617 1.00 45.55 ? 299 FUC A C4 1 HETATM 3179 C C5 . FUC N 6 . ? 5.932 -23.624 16.419 1.00 41.78 ? 299 FUC A C5 1 HETATM 3180 C C6 . FUC N 6 . ? 5.987 -22.129 16.157 1.00 39.01 ? 299 FUC A C6 1 HETATM 3181 O O2 . FUC N 6 . ? 6.134 -27.656 15.275 1.00 45.10 ? 299 FUC A O2 1 HETATM 3182 O O3 . FUC N 6 . ? 3.557 -26.452 15.253 1.00 44.05 ? 299 FUC A O3 1 HETATM 3183 O O4 . FUC N 6 . ? 4.871 -23.724 14.273 1.00 43.65 ? 299 FUC A O4 1 HETATM 3184 O O5 . FUC N 6 . ? 7.182 -24.258 16.049 1.00 40.95 ? 299 FUC A O5 1 HETATM 3185 O O25 . C8P O 7 . ? 1.132 -7.137 18.090 1.00 30.39 ? 300 C8P A O25 1 HETATM 3186 C C25 . C8P O 7 . ? 2.145 -7.725 18.503 1.00 31.18 ? 300 C8P A C25 1 HETATM 3187 C C26 . C8P O 7 . ? 2.149 -9.175 19.015 1.00 27.50 ? 300 C8P A C26 1 HETATM 3188 C C27 . C8P O 7 . ? 1.052 -9.960 18.353 1.00 25.73 ? 300 C8P A C27 1 HETATM 3189 C C28 . C8P O 7 . ? 1.592 -10.219 16.930 1.00 23.21 ? 300 C8P A C28 1 HETATM 3190 C C29 . C8P O 7 . ? 0.595 -11.194 16.172 1.00 28.09 ? 300 C8P A C29 1 HETATM 3191 C C30 . C8P O 7 . ? 1.067 -11.492 14.702 1.00 28.98 ? 300 C8P A C30 1 HETATM 3192 C C31 . C8P O 7 . ? -0.153 -12.085 13.917 1.00 32.41 ? 300 C8P A C31 1 HETATM 3193 C C32 . C8P O 7 . ? 0.207 -12.350 12.436 1.00 32.29 ? 300 C8P A C32 1 HETATM 3194 C CI . C8P O 7 . ? -0.967 -12.695 11.508 1.00 34.16 ? 300 C8P A CI 1 HETATM 3195 C CJ2 . C8P O 7 . ? -2.115 -11.929 11.472 1.00 35.70 ? 300 C8P A CJ2 1 HETATM 3196 C CK2 . C8P O 7 . ? -3.165 -12.258 10.616 1.00 40.99 ? 300 C8P A CK2 1 HETATM 3197 C CL . C8P O 7 . ? -3.063 -13.385 9.792 1.00 39.84 ? 300 C8P A CL 1 HETATM 3198 C CK1 . C8P O 7 . ? -1.919 -14.176 9.834 1.00 38.60 ? 300 C8P A CK1 1 HETATM 3199 C CJ1 . C8P O 7 . ? -0.873 -13.800 10.681 1.00 35.71 ? 300 C8P A CJ1 1 HETATM 3200 N N . C8P O 7 . ? 3.320 -7.087 18.552 1.00 29.06 ? 300 C8P A N 1 HETATM 3201 C C17 . C8P O 7 . ? 3.421 -5.692 18.137 1.00 27.91 ? 300 C8P A C17 1 HETATM 3202 C C18 . C8P O 7 . ? 3.341 -4.864 19.459 1.00 32.66 ? 300 C8P A C18 1 HETATM 3203 O O18 . C8P O 7 . ? 4.443 -5.167 20.349 1.00 34.46 ? 300 C8P A O18 1 HETATM 3204 C C19 . C8P O 7 . ? 4.493 -4.501 21.639 1.00 37.50 ? 300 C8P A C19 1 HETATM 3205 C C20 . C8P O 7 . ? 5.682 -5.014 22.401 1.00 34.59 ? 300 C8P A C20 1 HETATM 3206 O O20 . C8P O 7 . ? 6.832 -4.774 21.612 1.00 33.85 ? 300 C8P A O20 1 HETATM 3207 C C21 . C8P O 7 . ? 5.669 -6.518 22.569 1.00 36.83 ? 300 C8P A C21 1 HETATM 3208 O O21 . C8P O 7 . ? 6.790 -6.896 23.368 1.00 38.99 ? 300 C8P A O21 1 HETATM 3209 C C22 . C8P O 7 . ? 4.418 -6.922 23.335 1.00 41.87 ? 300 C8P A C22 1 HETATM 3210 O O22 . C8P O 7 . ? 4.638 -6.445 24.669 1.00 43.66 ? 300 C8P A O22 1 HETATM 3211 C C23 . C8P O 7 . ? 3.203 -6.273 22.681 1.00 41.09 ? 300 C8P A C23 1 HETATM 3212 C C24 . C8P O 7 . ? 1.977 -6.402 23.572 1.00 47.99 ? 300 C8P A C24 1 HETATM 3213 O O24 . C8P O 7 . ? 1.204 -7.449 22.970 1.00 54.45 ? 300 C8P A O24 1 HETATM 3214 O O19 . C8P O 7 . ? 3.349 -4.887 22.380 1.00 35.84 ? 300 C8P A O19 1 HETATM 3215 C C16 . C8P O 7 . ? 4.766 -5.526 17.473 1.00 30.12 ? 300 C8P A C16 1 HETATM 3216 O O16 . C8P O 7 . ? 4.778 -4.152 17.128 1.00 32.74 ? 300 C8P A O16 1 HETATM 3217 C C15 . C8P O 7 . ? 5.049 -6.377 16.211 1.00 29.35 ? 300 C8P A C15 1 HETATM 3218 O O15 . C8P O 7 . ? 6.290 -5.944 15.588 1.00 28.24 ? 300 C8P A O15 1 HETATM 3219 C C14 . C8P O 7 . ? 3.981 -6.201 15.123 1.00 27.27 ? 300 C8P A C14 1 HETATM 3220 C C13 . C8P O 7 . ? 4.245 -6.951 13.799 1.00 27.62 ? 300 C8P A C13 1 HETATM 3221 C C12 . C8P O 7 . ? 4.398 -8.440 13.992 1.00 29.52 ? 300 C8P A C12 1 HETATM 3222 C C11 . C8P O 7 . ? 4.514 -9.292 12.716 1.00 32.70 ? 300 C8P A C11 1 HETATM 3223 C C10 . C8P O 7 . ? 5.719 -8.934 11.828 1.00 31.22 ? 300 C8P A C10 1 HETATM 3224 C C9 . C8P O 7 . ? 5.774 -9.984 10.713 1.00 33.58 ? 300 C8P A C9 1 HETATM 3225 C C8 . C8P O 7 . ? 6.633 -9.274 9.664 1.00 37.28 ? 300 C8P A C8 1 HETATM 3226 C C7 . C8P O 7 . ? 7.200 -10.203 8.635 1.00 39.69 ? 300 C8P A C7 1 HETATM 3227 C C6 . C8P O 7 . ? 8.195 -9.384 7.805 1.00 38.88 ? 300 C8P A C6 1 HETATM 3228 C C5 . C8P O 7 . ? 7.590 -8.948 6.481 1.00 39.25 ? 300 C8P A C5 1 HETATM 3229 C C4 . C8P O 7 . ? 8.517 -8.721 5.260 1.00 33.78 ? 300 C8P A C4 1 HETATM 3230 C C3 . C8P O 7 . ? 8.819 -7.198 5.149 1.00 37.56 ? 300 C8P A C3 1 HETATM 3231 C C2 . C8P O 7 . ? 8.952 -6.811 3.705 1.00 38.41 ? 300 C8P A C2 1 HETATM 3232 C C1 . C8P O 7 . ? 9.051 -5.299 3.612 1.00 42.83 ? 300 C8P A C1 1 HETATM 3233 C C1 . PLM P 8 . ? -6.669 -11.333 11.662 1.00 45.70 ? 301 PLM A C1 1 HETATM 3234 O O1 . PLM P 8 . ? -5.769 -10.422 11.725 1.00 41.16 ? 301 PLM A O1 1 HETATM 3235 O O2 . PLM P 8 . ? -6.956 -11.824 10.574 1.00 49.89 ? 301 PLM A O2 1 HETATM 3236 C C2 . PLM P 8 . ? -7.455 -11.828 12.849 1.00 45.89 ? 301 PLM A C2 1 HETATM 3237 C C3 . PLM P 8 . ? -8.249 -13.124 12.624 1.00 42.76 ? 301 PLM A C3 1 HETATM 3238 C C4 . PLM P 8 . ? -8.485 -13.916 13.917 1.00 44.39 ? 301 PLM A C4 1 HETATM 3239 C C5 . PLM P 8 . ? -9.796 -14.684 13.958 1.00 43.62 ? 301 PLM A C5 1 HETATM 3240 C C6 . PLM P 8 . ? -9.825 -15.867 14.962 1.00 47.05 ? 301 PLM A C6 1 HETATM 3241 C C7 . PLM P 8 . ? -8.572 -15.936 15.852 1.00 49.20 ? 301 PLM A C7 1 HETATM 3242 C C8 . PLM P 8 . ? -8.371 -17.270 16.593 1.00 47.99 ? 301 PLM A C8 1 HETATM 3243 C C9 . PLM P 8 . ? -6.939 -17.417 17.080 1.00 43.80 ? 301 PLM A C9 1 HETATM 3244 C CA . PLM P 8 . ? -6.195 -18.210 16.022 1.00 46.62 ? 301 PLM A CA 1 HETATM 3245 C CB . PLM P 8 . ? -4.692 -18.111 15.988 1.00 43.88 ? 301 PLM A CB 1 HETATM 3246 C CC . PLM P 8 . ? -4.264 -16.806 15.371 1.00 49.43 ? 301 PLM A CC 1 HETATM 3247 C CD . PLM P 8 . ? -3.148 -17.056 14.342 1.00 50.92 ? 301 PLM A CD 1 HETATM 3248 C CE . PLM P 8 . ? -2.882 -15.815 13.478 1.00 52.42 ? 301 PLM A CE 1 HETATM 3249 C CF . PLM P 8 . ? -1.562 -15.108 13.852 1.00 53.32 ? 301 PLM A CF 1 HETATM 3250 C CG . PLM P 8 . ? -0.611 -15.971 14.689 1.00 46.72 ? 301 PLM A CG 1 HETATM 3251 C C1 . EDO Q 9 . ? -16.612 -24.134 -0.796 1.00 29.48 ? 302 EDO A C1 1 HETATM 3252 O O1 . EDO Q 9 . ? -17.425 -23.473 0.174 1.00 33.76 ? 302 EDO A O1 1 HETATM 3253 C C2 . EDO Q 9 . ? -17.058 -23.770 -2.217 1.00 27.17 ? 302 EDO A C2 1 HETATM 3254 O O2 . EDO Q 9 . ? -18.011 -22.714 -2.356 1.00 28.10 ? 302 EDO A O2 1 HETATM 3255 C C1 . EDO R 9 . ? -13.464 -26.861 -15.536 1.00 36.51 ? 303 EDO A C1 1 HETATM 3256 O O1 . EDO R 9 . ? -12.099 -26.886 -15.052 1.00 45.24 ? 303 EDO A O1 1 HETATM 3257 C C2 . EDO R 9 . ? -14.427 -27.321 -14.415 1.00 34.02 ? 303 EDO A C2 1 HETATM 3258 O O2 . EDO R 9 . ? -14.085 -28.541 -13.699 1.00 24.01 ? 303 EDO A O2 1 HETATM 3259 C C1 . EDO S 9 . ? -16.631 -20.700 -20.970 1.00 30.99 ? 100 EDO B C1 1 HETATM 3260 O O1 . EDO S 9 . ? -17.903 -20.759 -20.259 1.00 28.36 ? 100 EDO B O1 1 HETATM 3261 C C2 . EDO S 9 . ? -15.475 -19.982 -20.261 1.00 32.54 ? 100 EDO B C2 1 HETATM 3262 O O2 . EDO S 9 . ? -15.105 -20.436 -18.946 1.00 22.45 ? 100 EDO B O2 1 HETATM 3263 C C1 A EDO T 9 . ? -15.890 -17.969 -3.052 0.50 31.26 ? 101 EDO B C1 1 HETATM 3264 C C1 B EDO T 9 . ? -14.836 -18.771 -3.322 0.50 21.80 ? 101 EDO B C1 1 HETATM 3265 O O1 A EDO T 9 . ? -15.532 -19.081 -2.220 0.50 38.95 ? 101 EDO B O1 1 HETATM 3266 O O1 B EDO T 9 . ? -15.298 -19.899 -2.562 0.50 29.50 ? 101 EDO B O1 1 HETATM 3267 C C2 A EDO T 9 . ? -14.599 -17.204 -3.322 0.50 31.56 ? 101 EDO B C2 1 HETATM 3268 C C2 B EDO T 9 . ? -14.706 -17.611 -2.336 0.50 25.70 ? 101 EDO B C2 1 HETATM 3269 O O2 A EDO T 9 . ? -13.658 -17.481 -2.266 0.50 30.91 ? 101 EDO B O2 1 HETATM 3270 O O2 B EDO T 9 . ? -15.873 -17.511 -1.492 0.50 22.11 ? 101 EDO B O2 1 HETATM 3271 O O . HOH U 10 . ? -11.488 -47.193 -21.562 1.00 33.43 ? 304 HOH A O 1 HETATM 3272 O O . HOH U 10 . ? -27.491 -35.996 -24.039 1.00 53.34 ? 305 HOH A O 1 HETATM 3273 O O . HOH U 10 . ? -15.555 -29.978 1.774 1.00 18.02 ? 306 HOH A O 1 HETATM 3274 O O . HOH U 10 . ? 20.004 -7.419 6.289 1.00 14.69 ? 307 HOH A O 1 HETATM 3275 O O . HOH U 10 . ? -9.105 -28.294 -8.320 1.00 20.35 ? 308 HOH A O 1 HETATM 3276 O O . HOH U 10 . ? 12.229 -15.838 -0.952 1.00 19.00 ? 309 HOH A O 1 HETATM 3277 O O . HOH U 10 . ? 5.512 -21.628 10.362 1.00 21.50 ? 310 HOH A O 1 HETATM 3278 O O . HOH U 10 . ? -27.328 -32.180 12.737 1.00 82.87 ? 311 HOH A O 1 HETATM 3279 O O . HOH U 10 . ? -23.324 -41.948 -4.541 1.00 22.06 ? 312 HOH A O 1 HETATM 3280 O O . HOH U 10 . ? -13.615 -21.610 20.338 1.00 17.37 ? 313 HOH A O 1 HETATM 3281 O O . HOH U 10 . ? 12.240 -14.530 22.239 1.00 36.28 ? 314 HOH A O 1 HETATM 3282 O O . HOH U 10 . ? 3.100 -10.769 -1.112 1.00 20.67 ? 315 HOH A O 1 HETATM 3283 O O . HOH U 10 . ? -18.553 -12.434 28.588 1.00 30.63 ? 316 HOH A O 1 HETATM 3284 O O . HOH U 10 . ? -27.456 -32.536 -24.812 1.00 69.76 ? 317 HOH A O 1 HETATM 3285 O O . HOH U 10 . ? -17.377 -19.755 2.500 1.00 21.43 ? 318 HOH A O 1 HETATM 3286 O O . HOH U 10 . ? -26.865 -28.069 -3.902 1.00 19.05 ? 319 HOH A O 1 HETATM 3287 O O . HOH U 10 . ? 6.840 -18.400 -2.925 1.00 19.91 ? 320 HOH A O 1 HETATM 3288 O O . HOH U 10 . ? 14.908 -21.983 20.671 1.00 44.89 ? 321 HOH A O 1 HETATM 3289 O O . HOH U 10 . ? -19.235 -19.846 -1.772 1.00 17.78 ? 322 HOH A O 1 HETATM 3290 O O . HOH U 10 . ? -1.908 -19.910 2.534 1.00 29.73 ? 323 HOH A O 1 HETATM 3291 O O . HOH U 10 . ? -22.174 -23.696 4.505 1.00 25.19 ? 324 HOH A O 1 HETATM 3292 O O . HOH U 10 . ? -26.976 -31.461 5.461 1.00 30.31 ? 325 HOH A O 1 HETATM 3293 O O . HOH U 10 . ? -8.545 -30.621 -3.544 1.00 70.20 ? 326 HOH A O 1 HETATM 3294 O O . HOH U 10 . ? 9.271 -11.403 17.938 1.00 20.47 ? 327 HOH A O 1 HETATM 3295 O O . HOH U 10 . ? 17.113 -11.915 19.935 1.00 40.08 ? 328 HOH A O 1 HETATM 3296 O O . HOH U 10 . ? 7.412 -2.830 17.076 1.00 39.97 ? 329 HOH A O 1 HETATM 3297 O O . HOH U 10 . ? 7.702 -22.394 25.189 1.00 67.99 ? 330 HOH A O 1 HETATM 3298 O O . HOH U 10 . ? -21.526 -14.848 19.041 1.00 29.88 ? 331 HOH A O 1 HETATM 3299 O O . HOH U 10 . ? -30.153 -40.092 -18.663 1.00 23.87 ? 332 HOH A O 1 HETATM 3300 O O . HOH U 10 . ? -12.491 -54.415 -21.744 1.00 30.09 ? 333 HOH A O 1 HETATM 3301 O O . HOH U 10 . ? -18.387 -35.835 0.053 1.00 24.23 ? 334 HOH A O 1 HETATM 3302 O O . HOH U 10 . ? 14.024 -17.034 20.148 1.00 54.45 ? 335 HOH A O 1 HETATM 3303 O O . HOH U 10 . ? -19.049 -46.959 -4.738 1.00 32.76 ? 336 HOH A O 1 HETATM 3304 O O . HOH U 10 . ? 17.693 -13.276 3.822 1.00 30.01 ? 337 HOH A O 1 HETATM 3305 O O . HOH U 10 . ? -20.384 -19.541 18.661 1.00 24.58 ? 338 HOH A O 1 HETATM 3306 O O . HOH U 10 . ? -24.918 -29.396 -25.308 1.00 37.09 ? 339 HOH A O 1 HETATM 3307 O O . HOH U 10 . ? 12.882 -5.127 18.708 1.00 38.35 ? 340 HOH A O 1 HETATM 3308 O O A HOH U 10 . ? 4.459 -21.403 1.997 0.50 17.00 ? 341 HOH A O 1 HETATM 3309 O O B HOH U 10 . ? 5.168 -20.998 -0.019 0.50 16.12 ? 341 HOH A O 1 HETATM 3310 O O . HOH U 10 . ? -17.957 -50.495 -12.583 1.00 24.84 ? 342 HOH A O 1 HETATM 3311 O O . HOH U 10 . ? 5.539 -17.402 -5.124 1.00 31.85 ? 343 HOH A O 1 HETATM 3312 O O . HOH U 10 . ? 8.916 -11.415 -6.317 1.00 50.31 ? 344 HOH A O 1 HETATM 3313 O O . HOH U 10 . ? -12.569 -36.165 -4.895 1.00 23.05 ? 345 HOH A O 1 HETATM 3314 O O . HOH U 10 . ? -26.079 -30.505 8.756 1.00 42.14 ? 346 HOH A O 1 HETATM 3315 O O . HOH U 10 . ? -8.832 -29.539 -6.203 1.00 40.11 ? 347 HOH A O 1 HETATM 3316 O O . HOH U 10 . ? 15.741 -28.883 20.909 1.00 95.21 ? 348 HOH A O 1 HETATM 3317 O O . HOH U 10 . ? -21.853 -16.475 21.758 1.00 37.09 ? 349 HOH A O 1 HETATM 3318 O O . HOH U 10 . ? -4.053 -27.635 22.277 1.00 55.48 ? 350 HOH A O 1 HETATM 3319 O O . HOH U 10 . ? -29.763 -39.842 -6.794 1.00 35.32 ? 351 HOH A O 1 HETATM 3320 O O . HOH U 10 . ? 10.823 -17.408 23.630 1.00 36.85 ? 352 HOH A O 1 HETATM 3321 O O . HOH U 10 . ? -10.676 -25.750 -5.628 1.00 31.18 ? 353 HOH A O 1 HETATM 3322 O O . HOH U 10 . ? 2.481 -14.982 -6.294 1.00 27.77 ? 354 HOH A O 1 HETATM 3323 O O . HOH U 10 . ? -20.550 -17.400 17.396 1.00 19.28 ? 355 HOH A O 1 HETATM 3324 O O . HOH U 10 . ? 7.267 -22.070 -1.256 1.00 32.20 ? 356 HOH A O 1 HETATM 3325 O O . HOH U 10 . ? -18.611 -7.000 13.886 1.00 38.18 ? 357 HOH A O 1 HETATM 3326 O O . HOH U 10 . ? -13.733 -38.227 -10.194 1.00 33.72 ? 358 HOH A O 1 HETATM 3327 O O . HOH U 10 . ? -15.492 -30.559 4.512 1.00 28.45 ? 359 HOH A O 1 HETATM 3328 O O . HOH U 10 . ? 8.514 -5.840 17.476 1.00 26.93 ? 360 HOH A O 1 HETATM 3329 O O . HOH U 10 . ? -17.168 -36.770 2.191 1.00 29.96 ? 361 HOH A O 1 HETATM 3330 O O . HOH U 10 . ? 17.599 -10.966 17.761 1.00 22.82 ? 362 HOH A O 1 HETATM 3331 O O . HOH U 10 . ? -14.845 -6.439 8.190 1.00 20.75 ? 363 HOH A O 1 HETATM 3332 O O . HOH U 10 . ? -3.969 -2.998 -3.985 1.00 40.92 ? 364 HOH A O 1 HETATM 3333 O O . HOH U 10 . ? -11.639 -33.781 -2.914 1.00 52.44 ? 365 HOH A O 1 HETATM 3334 O O . HOH U 10 . ? -15.352 -0.945 18.266 1.00 51.17 ? 366 HOH A O 1 HETATM 3335 O O . HOH U 10 . ? -26.000 -46.256 -6.777 1.00 31.70 ? 367 HOH A O 1 HETATM 3336 O O . HOH U 10 . ? 6.165 -23.835 8.795 1.00 31.12 ? 368 HOH A O 1 HETATM 3337 O O . HOH U 10 . ? 10.494 6.910 10.784 1.00 62.05 ? 369 HOH A O 1 HETATM 3338 O O . HOH U 10 . ? -18.752 -34.633 6.087 1.00 31.78 ? 370 HOH A O 1 HETATM 3339 O O . HOH U 10 . ? -19.732 -32.056 5.310 1.00 22.73 ? 371 HOH A O 1 HETATM 3340 O O . HOH U 10 . ? -11.021 0.720 11.170 1.00 44.81 ? 372 HOH A O 1 HETATM 3341 O O . HOH U 10 . ? 7.458 -5.828 25.897 1.00 40.13 ? 373 HOH A O 1 HETATM 3342 O O . HOH U 10 . ? -13.024 -29.003 4.854 1.00 42.98 ? 374 HOH A O 1 HETATM 3343 O O . HOH U 10 . ? -7.766 -25.701 -8.701 1.00 40.55 ? 375 HOH A O 1 HETATM 3344 O O . HOH U 10 . ? -28.877 -34.662 -11.792 1.00 34.52 ? 376 HOH A O 1 HETATM 3345 O O . HOH U 10 . ? -24.494 -21.564 15.567 1.00 28.57 ? 377 HOH A O 1 HETATM 3346 O O . HOH U 10 . ? -6.748 2.094 16.056 1.00 64.17 ? 378 HOH A O 1 HETATM 3347 O O . HOH U 10 . ? -22.164 -14.454 22.988 1.00 46.14 ? 379 HOH A O 1 HETATM 3348 O O . HOH U 10 . ? 22.642 -31.267 19.167 1.00 41.88 ? 380 HOH A O 1 HETATM 3349 O O . HOH U 10 . ? -9.020 -28.416 5.592 1.00 31.70 ? 381 HOH A O 1 HETATM 3350 O O . HOH U 10 . ? 17.115 -2.462 8.017 1.00 29.86 ? 382 HOH A O 1 HETATM 3351 O O . HOH U 10 . ? -20.736 -41.661 2.387 1.00 40.47 ? 383 HOH A O 1 HETATM 3352 O O . HOH U 10 . ? 23.536 -5.541 7.978 1.00 45.34 ? 384 HOH A O 1 HETATM 3353 O O . HOH U 10 . ? 14.396 9.619 2.699 1.00 42.80 ? 385 HOH A O 1 HETATM 3354 O O . HOH U 10 . ? -13.179 -31.568 1.376 1.00 52.89 ? 386 HOH A O 1 HETATM 3355 O O . HOH U 10 . ? 16.550 -21.976 9.918 1.00 51.40 ? 387 HOH A O 1 HETATM 3356 O O . HOH U 10 . ? 17.654 -20.827 7.523 1.00 42.04 ? 388 HOH A O 1 HETATM 3357 O O . HOH U 10 . ? -19.102 -36.922 3.891 1.00 29.53 ? 389 HOH A O 1 HETATM 3358 O O . HOH U 10 . ? 17.352 -18.432 8.159 1.00 37.24 ? 390 HOH A O 1 HETATM 3359 O O . HOH U 10 . ? -17.781 -16.974 2.047 1.00 39.03 ? 391 HOH A O 1 HETATM 3360 O O . HOH U 10 . ? 9.625 -7.162 24.750 1.00 26.54 ? 392 HOH A O 1 HETATM 3361 O O . HOH U 10 . ? -2.290 -1.447 6.450 1.00 25.78 ? 393 HOH A O 1 HETATM 3362 O O . HOH U 10 . ? 13.709 -21.853 0.286 1.00 22.80 ? 394 HOH A O 1 HETATM 3363 O O . HOH U 10 . ? 16.122 -13.169 -3.197 1.00 33.13 ? 395 HOH A O 1 HETATM 3364 O O . HOH U 10 . ? 12.277 -5.147 12.401 1.00 24.63 ? 396 HOH A O 1 HETATM 3365 O O . HOH U 10 . ? -14.621 -49.772 -14.450 1.00 35.79 ? 397 HOH A O 1 HETATM 3366 O O . HOH U 10 . ? -12.878 -39.685 -6.417 1.00 33.39 ? 398 HOH A O 1 HETATM 3367 O O . HOH U 10 . ? -21.517 -9.404 27.165 1.00 33.55 ? 399 HOH A O 1 HETATM 3368 O O . HOH U 10 . ? -15.677 -35.606 3.488 1.00 32.94 ? 400 HOH A O 1 HETATM 3369 O O . HOH U 10 . ? -12.899 -21.710 25.134 1.00 39.11 ? 401 HOH A O 1 HETATM 3370 O O . HOH U 10 . ? 17.444 -16.355 3.899 1.00 27.50 ? 402 HOH A O 1 HETATM 3371 O O . HOH U 10 . ? 19.170 -7.868 -0.384 1.00 25.06 ? 403 HOH A O 1 HETATM 3372 O O . HOH U 10 . ? -16.542 -31.155 14.468 1.00 51.07 ? 404 HOH A O 1 HETATM 3373 O O . HOH U 10 . ? -0.767 -24.118 5.149 1.00 67.29 ? 405 HOH A O 1 HETATM 3374 O O . HOH U 10 . ? -11.427 -9.192 3.795 1.00 30.35 ? 406 HOH A O 1 HETATM 3375 O O . HOH U 10 . ? 9.203 -23.220 5.176 1.00 43.23 ? 407 HOH A O 1 HETATM 3376 O O . HOH U 10 . ? -8.469 -23.711 5.313 1.00 30.11 ? 408 HOH A O 1 HETATM 3377 O O . HOH U 10 . ? 0.911 -21.134 4.881 1.00 31.93 ? 409 HOH A O 1 HETATM 3378 O O . HOH U 10 . ? -5.861 -25.529 -13.511 1.00 42.92 ? 410 HOH A O 1 HETATM 3379 O O . HOH U 10 . ? -20.514 -14.809 26.357 1.00 34.82 ? 411 HOH A O 1 HETATM 3380 O O . HOH U 10 . ? -6.821 -1.814 14.034 1.00 24.69 ? 412 HOH A O 1 HETATM 3381 O O . HOH U 10 . ? -28.039 -33.446 -19.514 1.00 25.08 ? 413 HOH A O 1 HETATM 3382 O O . HOH U 10 . ? -9.979 -24.274 -8.849 1.00 24.22 ? 414 HOH A O 1 HETATM 3383 O O . HOH U 10 . ? 0.417 -1.993 -3.483 1.00 31.68 ? 415 HOH A O 1 HETATM 3384 O O . HOH U 10 . ? 14.129 -2.906 11.935 1.00 26.46 ? 416 HOH A O 1 HETATM 3385 O O . HOH U 10 . ? 4.076 -6.935 -5.636 1.00 35.21 ? 417 HOH A O 1 HETATM 3386 O O . HOH U 10 . ? -17.114 -40.162 -3.743 1.00 42.60 ? 418 HOH A O 1 HETATM 3387 O O . HOH U 10 . ? -22.013 -35.438 7.101 1.00 27.00 ? 419 HOH A O 1 HETATM 3388 O O . HOH U 10 . ? -5.679 -5.383 1.415 1.00 39.53 ? 420 HOH A O 1 HETATM 3389 O O . HOH U 10 . ? 10.176 -1.599 11.082 1.00 32.42 ? 421 HOH A O 1 HETATM 3390 O O . HOH U 10 . ? 10.749 -4.343 14.560 1.00 37.25 ? 422 HOH A O 1 HETATM 3391 O O . HOH U 10 . ? -8.074 -5.694 8.291 1.00 25.66 ? 423 HOH A O 1 HETATM 3392 O O . HOH U 10 . ? 11.903 4.410 10.436 1.00 27.56 ? 424 HOH A O 1 HETATM 3393 O O . HOH U 10 . ? -23.448 -46.857 -17.000 1.00 27.16 ? 425 HOH A O 1 HETATM 3394 O O . HOH U 10 . ? -20.622 -13.769 3.934 1.00 32.94 ? 426 HOH A O 1 HETATM 3395 O O . HOH U 10 . ? -18.403 -38.039 -1.648 1.00 34.95 ? 427 HOH A O 1 HETATM 3396 O O . HOH U 10 . ? 3.824 -10.100 25.420 1.00 33.82 ? 428 HOH A O 1 HETATM 3397 O O . HOH U 10 . ? -23.490 -46.584 -20.101 1.00 16.29 ? 429 HOH A O 1 HETATM 3398 O O . HOH U 10 . ? 13.204 -18.346 -1.430 1.00 20.25 ? 430 HOH A O 1 HETATM 3399 O O . HOH U 10 . ? 18.632 -6.458 17.976 1.00 31.93 ? 431 HOH A O 1 HETATM 3400 O O . HOH U 10 . ? -19.273 -16.690 4.541 1.00 43.54 ? 432 HOH A O 1 HETATM 3401 O O . HOH U 10 . ? -22.391 -18.896 5.512 1.00 37.09 ? 433 HOH A O 1 HETATM 3402 O O . HOH U 10 . ? 15.728 -9.372 23.810 1.00 34.32 ? 434 HOH A O 1 HETATM 3403 O O . HOH U 10 . ? -27.414 -26.065 -1.769 1.00 34.10 ? 435 HOH A O 1 HETATM 3404 O O . HOH U 10 . ? 17.700 -13.336 15.351 1.00 37.13 ? 436 HOH A O 1 HETATM 3405 O O . HOH U 10 . ? 4.290 6.619 6.233 1.00 39.42 ? 437 HOH A O 1 HETATM 3406 O O . HOH U 10 . ? -26.007 -24.038 -0.297 1.00 26.02 ? 438 HOH A O 1 HETATM 3407 O O . HOH U 10 . ? -12.159 -5.259 20.830 1.00 27.85 ? 439 HOH A O 1 HETATM 3408 O O . HOH U 10 . ? -13.240 -2.331 19.243 1.00 27.08 ? 440 HOH A O 1 HETATM 3409 O O . HOH U 10 . ? 21.162 -9.397 10.125 1.00 20.11 ? 441 HOH A O 1 HETATM 3410 O O A HOH U 10 . ? 17.817 -14.084 9.035 0.50 20.39 ? 442 HOH A O 1 HETATM 3411 O O B HOH U 10 . ? 16.617 -15.609 9.605 0.50 12.11 ? 442 HOH A O 1 HETATM 3412 O O . HOH U 10 . ? -2.599 -4.208 -5.727 1.00 34.32 ? 443 HOH A O 1 HETATM 3413 O O . HOH U 10 . ? 22.395 -8.519 7.543 1.00 22.79 ? 444 HOH A O 1 HETATM 3414 O O . HOH U 10 . ? 17.837 -4.243 5.793 1.00 35.46 ? 445 HOH A O 1 HETATM 3415 O O . HOH U 10 . ? 15.315 -16.648 -4.586 1.00 26.25 ? 446 HOH A O 1 HETATM 3416 O O . HOH U 10 . ? -31.172 -45.168 -7.082 1.00 47.30 ? 447 HOH A O 1 HETATM 3417 O O . HOH U 10 . ? 19.752 -13.614 1.558 1.00 47.31 ? 448 HOH A O 1 HETATM 3418 O O . HOH U 10 . ? -12.463 -22.851 22.636 1.00 31.47 ? 449 HOH A O 1 HETATM 3419 O O . HOH U 10 . ? 14.095 -18.479 -4.124 1.00 32.79 ? 450 HOH A O 1 HETATM 3420 O O . HOH U 10 . ? 12.369 -7.116 24.217 1.00 33.45 ? 451 HOH A O 1 HETATM 3421 O O . HOH U 10 . ? 10.439 -11.489 -2.088 1.00 33.24 ? 452 HOH A O 1 HETATM 3422 O O . HOH U 10 . ? -10.346 1.779 4.719 1.00 24.05 ? 453 HOH A O 1 HETATM 3423 O O . HOH U 10 . ? -25.162 -19.615 -5.645 1.00 23.94 ? 454 HOH A O 1 HETATM 3424 O O A HOH U 10 . ? 21.796 -6.826 2.848 0.50 30.75 ? 455 HOH A O 1 HETATM 3425 O O B HOH U 10 . ? -17.915 -6.942 3.356 0.50 49.95 ? 455 HOH A O 1 HETATM 3426 O O . HOH U 10 . ? -19.531 -9.154 12.754 1.00 29.70 ? 456 HOH A O 1 HETATM 3427 O O . HOH U 10 . ? 12.139 -13.687 -2.600 1.00 27.23 ? 457 HOH A O 1 HETATM 3428 O O . HOH U 10 . ? -6.456 -8.102 8.869 1.00 29.07 ? 458 HOH A O 1 HETATM 3429 O O . HOH U 10 . ? -12.775 -36.222 -8.548 1.00 32.30 ? 459 HOH A O 1 HETATM 3430 O O . HOH U 10 . ? -29.043 -30.899 -1.428 1.00 31.04 ? 460 HOH A O 1 HETATM 3431 O O . HOH U 10 . ? -13.083 -22.860 -0.506 1.00 35.34 ? 461 HOH A O 1 HETATM 3432 O O . HOH U 10 . ? -0.795 -26.984 16.449 1.00 31.19 ? 462 HOH A O 1 HETATM 3433 O O . HOH U 10 . ? -4.933 -0.513 7.846 1.00 40.35 ? 463 HOH A O 1 HETATM 3434 O O . HOH U 10 . ? -13.303 -7.458 3.378 1.00 35.51 ? 464 HOH A O 1 HETATM 3435 O O . HOH U 10 . ? 10.685 -5.180 17.053 1.00 32.39 ? 465 HOH A O 1 HETATM 3436 O O . HOH U 10 . ? -29.761 -40.552 -12.034 1.00 37.66 ? 466 HOH A O 1 HETATM 3437 O O . HOH U 10 . ? -21.984 -15.730 5.980 1.00 35.44 ? 467 HOH A O 1 HETATM 3438 O O . HOH U 10 . ? -28.095 -35.772 1.677 1.00 31.13 ? 468 HOH A O 1 HETATM 3439 O O . HOH U 10 . ? 10.484 -18.925 -1.150 1.00 21.78 ? 469 HOH A O 1 HETATM 3440 O O . HOH U 10 . ? 20.332 -4.949 5.914 1.00 37.27 ? 470 HOH A O 1 HETATM 3441 O O . HOH U 10 . ? -25.377 -47.861 -16.112 1.00 37.25 ? 471 HOH A O 1 HETATM 3442 O O . HOH U 10 . ? 9.712 -15.510 25.014 1.00 45.37 ? 472 HOH A O 1 HETATM 3443 O O . HOH U 10 . ? 16.965 5.894 4.536 1.00 38.29 ? 473 HOH A O 1 HETATM 3444 O O . HOH U 10 . ? -27.267 -20.760 -5.131 1.00 38.16 ? 474 HOH A O 1 HETATM 3445 O O . HOH U 10 . ? -11.889 -28.108 0.381 1.00 43.65 ? 475 HOH A O 1 HETATM 3446 O O A HOH U 10 . ? 19.267 -16.992 1.498 0.50 31.67 ? 476 HOH A O 1 HETATM 3447 O O B HOH U 10 . ? -21.813 -18.634 0.991 0.50 36.86 ? 476 HOH A O 1 HETATM 3448 O O . HOH U 10 . ? -1.092 -7.540 19.752 1.00 28.49 ? 477 HOH A O 1 HETATM 3449 O O . HOH U 10 . ? -4.816 -8.887 10.367 1.00 32.05 ? 478 HOH A O 1 HETATM 3450 O O . HOH U 10 . ? -28.601 -30.149 -5.949 1.00 39.03 ? 479 HOH A O 1 HETATM 3451 O O . HOH U 10 . ? 6.804 4.703 4.535 1.00 28.12 ? 480 HOH A O 1 HETATM 3452 O O . HOH U 10 . ? 18.101 -12.566 10.792 1.00 27.95 ? 481 HOH A O 1 HETATM 3453 O O . HOH U 10 . ? -2.640 2.420 10.772 1.00 22.14 ? 482 HOH A O 1 HETATM 3454 O O . HOH U 10 . ? -3.739 -0.089 10.844 1.00 39.17 ? 483 HOH A O 1 HETATM 3455 O O . HOH U 10 . ? -26.248 -43.469 -23.640 1.00 31.44 ? 484 HOH A O 1 HETATM 3456 O O . HOH U 10 . ? -15.800 -8.732 16.460 1.00 28.73 ? 485 HOH A O 1 HETATM 3457 O O . HOH U 10 . ? -19.109 -17.991 21.978 1.00 28.35 ? 486 HOH A O 1 HETATM 3458 O O . HOH U 10 . ? -16.450 -32.084 12.133 1.00 42.83 ? 487 HOH A O 1 HETATM 3459 O O . HOH U 10 . ? -23.525 -22.996 17.460 1.00 27.21 ? 488 HOH A O 1 HETATM 3460 O O . HOH U 10 . ? -17.476 -5.880 11.946 1.00 42.68 ? 489 HOH A O 1 HETATM 3461 O O . HOH U 10 . ? -16.568 -28.870 6.332 1.00 28.74 ? 490 HOH A O 1 HETATM 3462 O O . HOH U 10 . ? 16.302 -15.713 12.153 1.00 34.97 ? 491 HOH A O 1 HETATM 3463 O O . HOH U 10 . ? 17.260 -13.294 13.392 1.00 33.17 ? 492 HOH A O 1 HETATM 3464 O O . HOH U 10 . ? -3.634 -6.482 -0.399 1.00 49.58 ? 493 HOH A O 1 HETATM 3465 O O . HOH U 10 . ? -28.537 -33.538 1.093 1.00 39.37 ? 494 HOH A O 1 HETATM 3466 O O . HOH U 10 . ? -15.932 -27.759 -21.258 1.00 35.92 ? 495 HOH A O 1 HETATM 3467 O O . HOH U 10 . ? 13.463 -21.612 17.003 1.00 33.17 ? 496 HOH A O 1 HETATM 3468 O O . HOH U 10 . ? -6.316 0.078 12.376 1.00 46.91 ? 497 HOH A O 1 HETATM 3469 O O . HOH U 10 . ? -22.182 -15.088 -2.111 1.00 43.12 ? 498 HOH A O 1 HETATM 3470 O O . HOH U 10 . ? 7.734 -1.896 -6.030 1.00 40.35 ? 499 HOH A O 1 HETATM 3471 O O . HOH U 10 . ? -17.297 -9.542 22.453 1.00 33.49 ? 500 HOH A O 1 HETATM 3472 O O . HOH U 10 . ? -17.976 -8.804 18.143 1.00 31.25 ? 501 HOH A O 1 HETATM 3473 O O . HOH U 10 . ? -12.904 -25.824 23.155 1.00 51.69 ? 502 HOH A O 1 HETATM 3474 O O . HOH U 10 . ? -19.242 -10.686 19.950 1.00 43.01 ? 503 HOH A O 1 HETATM 3475 O O . HOH U 10 . ? -25.373 -49.331 -24.001 1.00 52.68 ? 504 HOH A O 1 HETATM 3476 O O . HOH U 10 . ? 20.307 -29.527 18.617 1.00 43.59 ? 505 HOH A O 1 HETATM 3477 O O . HOH U 10 . ? -16.334 -0.646 12.036 1.00 26.98 ? 506 HOH A O 1 HETATM 3478 O O . HOH U 10 . ? -10.831 -34.711 -22.716 1.00 40.73 ? 507 HOH A O 1 HETATM 3479 O O . HOH U 10 . ? -30.323 -29.710 2.169 1.00 68.85 ? 508 HOH A O 1 HETATM 3480 O O . HOH U 10 . ? -22.164 -47.487 -14.593 1.00 29.00 ? 509 HOH A O 1 HETATM 3481 O O . HOH U 10 . ? -24.464 -15.615 17.150 1.00 48.47 ? 510 HOH A O 1 HETATM 3482 O O . HOH U 10 . ? 14.953 9.139 -0.657 1.00 56.41 ? 511 HOH A O 1 HETATM 3483 O O . HOH U 10 . ? -25.227 -25.134 1.476 1.00 36.83 ? 512 HOH A O 1 HETATM 3484 O O A HOH U 10 . ? -10.667 -27.025 -0.995 0.50 16.90 ? 513 HOH A O 1 HETATM 3485 O O B HOH U 10 . ? -10.826 -25.282 -1.231 0.50 25.39 ? 513 HOH A O 1 HETATM 3486 O O . HOH U 10 . ? -23.532 -41.596 2.085 1.00 31.77 ? 514 HOH A O 1 HETATM 3487 O O . HOH U 10 . ? -22.504 -45.551 -4.691 1.00 34.04 ? 515 HOH A O 1 HETATM 3488 O O . HOH U 10 . ? -28.291 -22.257 -3.020 1.00 35.54 ? 516 HOH A O 1 HETATM 3489 O O . HOH U 10 . ? -9.169 -1.572 15.022 1.00 45.73 ? 517 HOH A O 1 HETATM 3490 O O . HOH U 10 . ? -9.785 -25.205 -14.300 1.00 36.75 ? 518 HOH A O 1 HETATM 3491 O O . HOH U 10 . ? -16.854 -6.085 18.777 1.00 53.51 ? 519 HOH A O 1 HETATM 3492 O O . HOH U 10 . ? 12.984 -28.121 13.099 1.00 46.28 ? 520 HOH A O 1 HETATM 3493 O O . HOH U 10 . ? -11.122 22.283 5.391 1.00 78.94 ? 521 HOH A O 1 HETATM 3494 O O . HOH V 10 . ? -20.491 -6.013 -13.901 1.00 20.75 ? 102 HOH B O 1 HETATM 3495 O O . HOH V 10 . ? -19.459 -14.291 -5.487 1.00 22.81 ? 103 HOH B O 1 HETATM 3496 O O . HOH V 10 . ? -29.160 -27.387 -9.608 1.00 27.21 ? 104 HOH B O 1 HETATM 3497 O O . HOH V 10 . ? -31.795 -15.916 -11.517 1.00 43.17 ? 105 HOH B O 1 HETATM 3498 O O . HOH V 10 . ? -31.315 -21.821 -16.460 1.00 18.64 ? 106 HOH B O 1 HETATM 3499 O O . HOH V 10 . ? -10.199 -19.151 -13.078 1.00 15.39 ? 107 HOH B O 1 HETATM 3500 O O . HOH V 10 . ? -22.960 -19.863 -7.546 1.00 13.41 ? 108 HOH B O 1 HETATM 3501 O O . HOH V 10 . ? -8.517 -17.265 -18.776 1.00 22.65 ? 109 HOH B O 1 HETATM 3502 O O . HOH V 10 . ? 0.529 -13.310 -5.267 1.00 22.95 ? 110 HOH B O 1 HETATM 3503 O O . HOH V 10 . ? -9.261 -23.250 -11.556 1.00 18.54 ? 111 HOH B O 1 HETATM 3504 O O . HOH V 10 . ? -3.749 -4.551 -11.489 1.00 24.86 ? 112 HOH B O 1 HETATM 3505 O O . HOH V 10 . ? -18.126 -10.469 -0.162 1.00 27.55 ? 113 HOH B O 1 HETATM 3506 O O . HOH V 10 . ? -5.316 -18.191 -7.254 1.00 21.94 ? 114 HOH B O 1 HETATM 3507 O O . HOH V 10 . ? -18.719 -26.424 -21.523 1.00 34.83 ? 115 HOH B O 1 HETATM 3508 O O . HOH V 10 . ? -19.956 -18.357 -26.302 1.00 24.78 ? 116 HOH B O 1 HETATM 3509 O O . HOH V 10 . ? -31.721 -22.541 -12.386 1.00 23.37 ? 117 HOH B O 1 HETATM 3510 O O . HOH V 10 . ? -21.887 -10.373 -23.330 1.00 14.65 ? 118 HOH B O 1 HETATM 3511 O O . HOH V 10 . ? -19.028 -5.518 -11.356 1.00 34.24 ? 119 HOH B O 1 HETATM 3512 O O . HOH V 10 . ? -13.220 -4.953 -16.265 1.00 35.26 ? 120 HOH B O 1 HETATM 3513 O O . HOH V 10 . ? -35.074 -21.339 -11.772 1.00 41.19 ? 121 HOH B O 1 HETATM 3514 O O . HOH V 10 . ? -21.929 -10.992 -1.658 1.00 25.01 ? 122 HOH B O 1 HETATM 3515 O O . HOH V 10 . ? -16.999 -20.493 -0.145 1.00 24.06 ? 123 HOH B O 1 HETATM 3516 O O . HOH V 10 . ? -22.528 -16.192 -24.038 1.00 21.96 ? 124 HOH B O 1 HETATM 3517 O O . HOH V 10 . ? -22.519 -17.194 -27.267 1.00 22.57 ? 125 HOH B O 1 HETATM 3518 O O . HOH V 10 . ? -10.555 -10.445 -24.525 1.00 22.73 ? 126 HOH B O 1 HETATM 3519 O O . HOH V 10 . ? -14.218 -4.991 -9.742 1.00 38.55 ? 127 HOH B O 1 HETATM 3520 O O . HOH V 10 . ? -7.013 -21.371 -11.541 1.00 31.84 ? 128 HOH B O 1 HETATM 3521 O O . HOH V 10 . ? -6.255 -5.108 -18.249 1.00 23.20 ? 129 HOH B O 1 HETATM 3522 O O . HOH V 10 . ? -9.271 -5.148 -6.188 1.00 37.34 ? 130 HOH B O 1 HETATM 3523 O O . HOH V 10 . ? -10.268 -9.662 1.322 1.00 23.97 ? 131 HOH B O 1 HETATM 3524 O O . HOH V 10 . ? -11.799 -20.037 -19.324 1.00 30.30 ? 132 HOH B O 1 HETATM 3525 O O . HOH V 10 . ? -4.813 -23.298 -2.426 1.00 41.31 ? 133 HOH B O 1 HETATM 3526 O O . HOH V 10 . ? -14.672 -8.256 -2.769 1.00 41.18 ? 134 HOH B O 1 HETATM 3527 O O . HOH V 10 . ? -14.225 -16.221 -24.778 1.00 22.49 ? 135 HOH B O 1 HETATM 3528 O O . HOH V 10 . ? -1.539 -16.890 -14.229 1.00 35.67 ? 136 HOH B O 1 HETATM 3529 O O . HOH V 10 . ? -30.345 -12.554 -17.687 1.00 25.58 ? 137 HOH B O 1 HETATM 3530 O O . HOH V 10 . ? -31.881 -24.361 -14.345 1.00 28.32 ? 138 HOH B O 1 HETATM 3531 O O . HOH V 10 . ? -32.312 -13.798 -13.939 1.00 27.28 ? 139 HOH B O 1 HETATM 3532 O O . HOH V 10 . ? -27.144 -28.352 -7.465 1.00 34.68 ? 140 HOH B O 1 HETATM 3533 O O . HOH V 10 . ? -29.531 -21.035 -6.796 1.00 37.43 ? 141 HOH B O 1 HETATM 3534 O O . HOH V 10 . ? -28.564 -20.001 -23.450 1.00 29.50 ? 142 HOH B O 1 HETATM 3535 O O . HOH V 10 . ? -15.953 -6.578 -23.812 1.00 30.98 ? 145 HOH B O 1 HETATM 3536 O O . HOH V 10 . ? -10.340 -14.439 -23.964 1.00 38.97 ? 148 HOH B O 1 HETATM 3537 O O . HOH V 10 . ? -11.907 -21.648 -4.153 1.00 38.65 ? 149 HOH B O 1 HETATM 3538 O O . HOH V 10 . ? -12.168 -8.277 -0.948 1.00 33.64 ? 151 HOH B O 1 HETATM 3539 O O . HOH V 10 . ? -4.202 -16.408 -16.968 1.00 48.21 ? 153 HOH B O 1 HETATM 3540 O O . HOH V 10 . ? -1.867 -22.705 -4.881 1.00 32.92 ? 160 HOH B O 1 HETATM 3541 O O . HOH V 10 . ? -12.567 -24.028 -17.076 1.00 36.01 ? 164 HOH B O 1 HETATM 3542 O O . HOH V 10 . ? 0.919 -14.963 -15.559 1.00 31.35 ? 173 HOH B O 1 HETATM 3543 O O . HOH V 10 . ? -4.597 -20.064 1.155 1.00 27.75 ? 177 HOH B O 1 HETATM 3544 O O . HOH V 10 . ? 0.025 -19.430 1.198 1.00 28.71 ? 185 HOH B O 1 HETATM 3545 O O . HOH V 10 . ? -23.689 -23.408 -27.751 1.00 34.44 ? 192 HOH B O 1 HETATM 3546 O O . HOH V 10 . ? -19.534 -14.949 -2.712 1.00 30.20 ? 194 HOH B O 1 HETATM 3547 O O . HOH V 10 . ? -13.110 -6.481 -6.985 1.00 52.44 ? 205 HOH B O 1 HETATM 3548 O O . HOH V 10 . ? 1.750 -17.266 -6.712 1.00 41.08 ? 208 HOH B O 1 HETATM 3549 O O . HOH V 10 . ? -2.235 -2.914 -10.350 1.00 27.52 ? 211 HOH B O 1 HETATM 3550 O O . HOH V 10 . ? -31.307 -19.314 -9.423 1.00 42.56 ? 212 HOH B O 1 HETATM 3551 O O . HOH V 10 . ? -28.209 -11.194 -16.128 1.00 25.73 ? 225 HOH B O 1 HETATM 3552 O O . HOH V 10 . ? -16.319 -13.877 0.723 1.00 34.90 ? 233 HOH B O 1 HETATM 3553 O O . HOH V 10 . ? -8.843 -22.299 -7.206 1.00 25.99 ? 234 HOH B O 1 HETATM 3554 O O . HOH V 10 . ? -20.229 -7.607 -3.661 1.00 25.17 ? 237 HOH B O 1 HETATM 3555 O O . HOH V 10 . ? -28.778 -24.706 -22.647 1.00 50.33 ? 238 HOH B O 1 HETATM 3556 O O . HOH V 10 . ? -12.128 -14.996 -2.798 1.00 35.75 ? 246 HOH B O 1 HETATM 3557 O O . HOH V 10 . ? -28.984 -8.827 -16.103 1.00 31.72 ? 248 HOH B O 1 HETATM 3558 O O . HOH V 10 . ? -27.156 -22.508 -22.917 1.00 39.88 ? 251 HOH B O 1 HETATM 3559 O O . HOH V 10 . ? -19.839 -28.317 -24.029 1.00 34.97 ? 252 HOH B O 1 HETATM 3560 O O . HOH V 10 . ? -12.111 -20.413 -1.460 1.00 37.53 ? 253 HOH B O 1 HETATM 3561 O O . HOH V 10 . ? -28.601 -6.787 -17.535 1.00 46.04 ? 258 HOH B O 1 HETATM 3562 O O . HOH V 10 . ? -28.209 -17.217 -22.888 1.00 40.31 ? 260 HOH B O 1 HETATM 3563 O O . HOH V 10 . ? -22.311 -4.988 -10.959 1.00 42.41 ? 261 HOH B O 1 HETATM 3564 O O . HOH V 10 . ? -13.599 -15.635 -0.845 1.00 45.29 ? 264 HOH B O 1 HETATM 3565 O O . HOH V 10 . ? -11.745 -7.571 -23.807 1.00 21.17 ? 266 HOH B O 1 HETATM 3566 O O . HOH V 10 . ? 1.697 -5.154 -11.899 1.00 39.76 ? 268 HOH B O 1 HETATM 3567 O O . HOH V 10 . ? -27.681 -10.916 -9.247 1.00 39.66 ? 271 HOH B O 1 HETATM 3568 O O . HOH V 10 . ? -29.599 -6.793 -23.217 1.00 47.44 ? 273 HOH B O 1 HETATM 3569 O O . HOH V 10 . ? -34.932 -19.437 -26.225 1.00 58.53 ? 284 HOH B O 1 HETATM 3570 O O . HOH V 10 . ? -35.542 -14.738 -26.008 1.00 32.08 ? 285 HOH B O 1 HETATM 3571 O O . HOH V 10 . ? -25.126 -27.545 -21.037 1.00 44.14 ? 288 HOH B O 1 HETATM 3572 O O A HOH V 10 . ? -20.414 -1.590 -20.118 0.50 18.77 ? 291 HOH B O 1 HETATM 3573 O O B HOH V 10 . ? -21.727 -1.537 -20.575 0.50 7.57 ? 291 HOH B O 1 HETATM 3574 O O . HOH V 10 . ? -36.246 -18.190 -23.194 1.00 39.01 ? 299 HOH B O 1 HETATM 3575 O O . HOH V 10 . ? -8.023 -2.595 -12.213 1.00 42.31 ? 303 HOH B O 1 HETATM 3576 O O . HOH V 10 . ? -29.126 -28.697 -19.448 1.00 58.02 ? 310 HOH B O 1 HETATM 3577 O O . HOH V 10 . ? -28.635 -7.056 -12.453 1.00 33.21 ? 313 HOH B O 1 HETATM 3578 O O . HOH V 10 . ? -19.627 -5.613 -8.610 1.00 32.83 ? 319 HOH B O 1 HETATM 3579 O O . HOH V 10 . ? -23.933 -26.188 -26.551 1.00 38.89 ? 320 HOH B O 1 HETATM 3580 O O . HOH V 10 . ? -32.921 -25.283 -22.612 1.00 39.50 ? 323 HOH B O 1 HETATM 3581 O O . HOH V 10 . ? -15.701 -18.912 -24.006 1.00 49.14 ? 324 HOH B O 1 HETATM 3582 O O . HOH V 10 . ? -6.557 -20.637 -19.574 1.00 66.30 ? 325 HOH B O 1 HETATM 3583 O O . HOH V 10 . ? -32.827 -23.854 -10.016 1.00 44.44 ? 360 HOH B O 1 HETATM 3584 O O . HOH V 10 . ? -18.707 -17.234 -2.005 1.00 36.39 ? 362 HOH B O 1 HETATM 3585 O O . HOH V 10 . ? -11.613 -19.386 -22.417 1.00 45.73 ? 368 HOH B O 1 HETATM 3586 O O . HOH V 10 . ? -32.845 -11.153 -14.274 1.00 48.76 ? 392 HOH B O 1 HETATM 3587 O O . HOH V 10 . ? -13.890 -23.599 -21.404 1.00 53.02 ? 396 HOH B O 1 HETATM 3588 O O . HOH V 10 . ? -26.952 -12.837 -6.739 1.00 50.58 ? 398 HOH B O 1 HETATM 3589 O O . HOH V 10 . ? -12.906 -4.870 -24.290 1.00 51.45 ? 406 HOH B O 1 HETATM 3590 O O . HOH V 10 . ? -32.003 -16.923 -9.697 1.00 61.55 ? 521 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 C8P 1 300 1 C8P C8P 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 1 100 2 EDO EDO B . T 9 EDO 1 101 4 EDO EDO B . U 10 HOH 1 304 304 HOH HOH A . U 10 HOH 2 305 305 HOH HOH A . U 10 HOH 3 306 2 HOH HOH A . U 10 HOH 4 307 11 HOH HOH A . U 10 HOH 5 308 12 HOH HOH A . U 10 HOH 6 309 14 HOH HOH A . U 10 HOH 7 310 15 HOH HOH A . U 10 HOH 8 311 311 HOH HOH A . U 10 HOH 9 312 16 HOH HOH A . U 10 HOH 10 313 18 HOH HOH A . U 10 HOH 11 314 314 HOH HOH A . U 10 HOH 12 315 20 HOH HOH A . U 10 HOH 13 316 316 HOH HOH A . U 10 HOH 14 317 317 HOH HOH A . U 10 HOH 15 318 23 HOH HOH A . U 10 HOH 16 319 24 HOH HOH A . U 10 HOH 17 320 25 HOH HOH A . U 10 HOH 18 321 321 HOH HOH A . U 10 HOH 19 322 26 HOH HOH A . U 10 HOH 20 323 27 HOH HOH A . U 10 HOH 21 324 28 HOH HOH A . U 10 HOH 22 325 29 HOH HOH A . U 10 HOH 23 326 326 HOH HOH A . U 10 HOH 24 327 30 HOH HOH A . U 10 HOH 25 328 328 HOH HOH A . U 10 HOH 26 329 329 HOH HOH A . U 10 HOH 27 330 330 HOH HOH A . U 10 HOH 28 331 331 HOH HOH A . U 10 HOH 29 332 32 HOH HOH A . U 10 HOH 30 333 333 HOH HOH A . U 10 HOH 31 334 33 HOH HOH A . U 10 HOH 32 335 335 HOH HOH A . U 10 HOH 33 336 336 HOH HOH A . U 10 HOH 34 337 34 HOH HOH A . U 10 HOH 35 338 35 HOH HOH A . U 10 HOH 36 339 339 HOH HOH A . U 10 HOH 37 340 37 HOH HOH A . U 10 HOH 38 341 39 HOH HOH A . U 10 HOH 39 342 41 HOH HOH A . U 10 HOH 40 343 42 HOH HOH A . U 10 HOH 41 344 344 HOH HOH A . U 10 HOH 42 345 45 HOH HOH A . U 10 HOH 43 346 346 HOH HOH A . U 10 HOH 44 347 347 HOH HOH A . U 10 HOH 45 348 348 HOH HOH A . U 10 HOH 46 349 349 HOH HOH A . U 10 HOH 47 350 350 HOH HOH A . U 10 HOH 48 351 351 HOH HOH A . U 10 HOH 49 352 352 HOH HOH A . U 10 HOH 50 353 47 HOH HOH A . U 10 HOH 51 354 48 HOH HOH A . U 10 HOH 52 355 50 HOH HOH A . U 10 HOH 53 356 356 HOH HOH A . U 10 HOH 54 357 357 HOH HOH A . U 10 HOH 55 358 358 HOH HOH A . U 10 HOH 56 359 359 HOH HOH A . U 10 HOH 57 360 52 HOH HOH A . U 10 HOH 58 361 361 HOH HOH A . U 10 HOH 59 362 54 HOH HOH A . U 10 HOH 60 363 55 HOH HOH A . U 10 HOH 61 364 364 HOH HOH A . U 10 HOH 62 365 365 HOH HOH A . U 10 HOH 63 366 366 HOH HOH A . U 10 HOH 64 367 367 HOH HOH A . U 10 HOH 65 368 56 HOH HOH A . U 10 HOH 66 369 369 HOH HOH A . U 10 HOH 67 370 370 HOH HOH A . U 10 HOH 68 371 59 HOH HOH A . U 10 HOH 69 372 372 HOH HOH A . U 10 HOH 70 373 373 HOH HOH A . U 10 HOH 71 374 374 HOH HOH A . U 10 HOH 72 375 375 HOH HOH A . U 10 HOH 73 376 60 HOH HOH A . U 10 HOH 74 377 377 HOH HOH A . U 10 HOH 75 378 378 HOH HOH A . U 10 HOH 76 379 379 HOH HOH A . U 10 HOH 77 380 380 HOH HOH A . U 10 HOH 78 381 62 HOH HOH A . U 10 HOH 79 382 382 HOH HOH A . U 10 HOH 80 383 383 HOH HOH A . U 10 HOH 81 384 384 HOH HOH A . U 10 HOH 82 385 385 HOH HOH A . U 10 HOH 83 386 386 HOH HOH A . U 10 HOH 84 387 387 HOH HOH A . U 10 HOH 85 388 388 HOH HOH A . U 10 HOH 86 389 63 HOH HOH A . U 10 HOH 87 390 65 HOH HOH A . U 10 HOH 88 391 67 HOH HOH A . U 10 HOH 89 392 69 HOH HOH A . U 10 HOH 90 393 72 HOH HOH A . U 10 HOH 91 394 74 HOH HOH A . U 10 HOH 92 395 77 HOH HOH A . U 10 HOH 93 396 78 HOH HOH A . U 10 HOH 94 397 83 HOH HOH A . U 10 HOH 95 398 84 HOH HOH A . U 10 HOH 96 399 399 HOH HOH A . U 10 HOH 97 400 400 HOH HOH A . U 10 HOH 98 401 401 HOH HOH A . U 10 HOH 99 402 85 HOH HOH A . U 10 HOH 100 403 86 HOH HOH A . U 10 HOH 101 404 404 HOH HOH A . U 10 HOH 102 405 405 HOH HOH A . U 10 HOH 103 406 87 HOH HOH A . U 10 HOH 104 407 88 HOH HOH A . U 10 HOH 105 408 91 HOH HOH A . U 10 HOH 106 409 93 HOH HOH A . U 10 HOH 107 410 95 HOH HOH A . U 10 HOH 108 411 96 HOH HOH A . U 10 HOH 109 412 97 HOH HOH A . U 10 HOH 110 413 98 HOH HOH A . U 10 HOH 111 414 101 HOH HOH A . U 10 HOH 112 415 102 HOH HOH A . U 10 HOH 113 416 103 HOH HOH A . U 10 HOH 114 417 106 HOH HOH A . U 10 HOH 115 418 107 HOH HOH A . U 10 HOH 116 419 109 HOH HOH A . U 10 HOH 117 420 110 HOH HOH A . U 10 HOH 118 421 114 HOH HOH A . U 10 HOH 119 422 115 HOH HOH A . U 10 HOH 120 423 117 HOH HOH A . U 10 HOH 121 424 118 HOH HOH A . U 10 HOH 122 425 119 HOH HOH A . U 10 HOH 123 426 120 HOH HOH A . U 10 HOH 124 427 126 HOH HOH A . U 10 HOH 125 428 127 HOH HOH A . U 10 HOH 126 429 131 HOH HOH A . U 10 HOH 127 430 132 HOH HOH A . U 10 HOH 128 431 133 HOH HOH A . U 10 HOH 129 432 136 HOH HOH A . U 10 HOH 130 433 139 HOH HOH A . U 10 HOH 131 434 142 HOH HOH A . U 10 HOH 132 435 143 HOH HOH A . U 10 HOH 133 436 146 HOH HOH A . U 10 HOH 134 437 147 HOH HOH A . U 10 HOH 135 438 150 HOH HOH A . U 10 HOH 136 439 154 HOH HOH A . U 10 HOH 137 440 155 HOH HOH A . U 10 HOH 138 441 156 HOH HOH A . U 10 HOH 139 442 157 HOH HOH A . U 10 HOH 140 443 158 HOH HOH A . U 10 HOH 141 444 161 HOH HOH A . U 10 HOH 142 445 162 HOH HOH A . U 10 HOH 143 446 163 HOH HOH A . U 10 HOH 144 447 165 HOH HOH A . U 10 HOH 145 448 170 HOH HOH A . U 10 HOH 146 449 171 HOH HOH A . U 10 HOH 147 450 175 HOH HOH A . U 10 HOH 148 451 176 HOH HOH A . U 10 HOH 149 452 180 HOH HOH A . U 10 HOH 150 453 181 HOH HOH A . U 10 HOH 151 454 182 HOH HOH A . U 10 HOH 152 455 183 HOH HOH A . U 10 HOH 153 456 184 HOH HOH A . U 10 HOH 154 457 186 HOH HOH A . U 10 HOH 155 458 187 HOH HOH A . U 10 HOH 156 459 188 HOH HOH A . U 10 HOH 157 460 189 HOH HOH A . U 10 HOH 158 461 190 HOH HOH A . U 10 HOH 159 462 193 HOH HOH A . U 10 HOH 160 463 195 HOH HOH A . U 10 HOH 161 464 196 HOH HOH A . U 10 HOH 162 465 197 HOH HOH A . U 10 HOH 163 466 198 HOH HOH A . U 10 HOH 164 467 199 HOH HOH A . U 10 HOH 165 468 200 HOH HOH A . U 10 HOH 166 469 201 HOH HOH A . U 10 HOH 167 470 202 HOH HOH A . U 10 HOH 168 471 203 HOH HOH A . U 10 HOH 169 472 204 HOH HOH A . U 10 HOH 170 473 206 HOH HOH A . U 10 HOH 171 474 207 HOH HOH A . U 10 HOH 172 475 209 HOH HOH A . U 10 HOH 173 476 210 HOH HOH A . U 10 HOH 174 477 213 HOH HOH A . U 10 HOH 175 478 214 HOH HOH A . U 10 HOH 176 479 215 HOH HOH A . U 10 HOH 177 480 217 HOH HOH A . U 10 HOH 178 481 218 HOH HOH A . U 10 HOH 179 482 220 HOH HOH A . U 10 HOH 180 483 221 HOH HOH A . U 10 HOH 181 484 223 HOH HOH A . U 10 HOH 182 485 224 HOH HOH A . U 10 HOH 183 486 227 HOH HOH A . U 10 HOH 184 487 228 HOH HOH A . U 10 HOH 185 488 230 HOH HOH A . U 10 HOH 186 489 232 HOH HOH A . U 10 HOH 187 490 235 HOH HOH A . U 10 HOH 188 491 239 HOH HOH A . U 10 HOH 189 492 240 HOH HOH A . U 10 HOH 190 493 241 HOH HOH A . U 10 HOH 191 494 242 HOH HOH A . U 10 HOH 192 495 243 HOH HOH A . U 10 HOH 193 496 245 HOH HOH A . U 10 HOH 194 497 247 HOH HOH A . U 10 HOH 195 498 250 HOH HOH A . U 10 HOH 196 499 254 HOH HOH A . U 10 HOH 197 500 256 HOH HOH A . U 10 HOH 198 501 257 HOH HOH A . U 10 HOH 199 502 259 HOH HOH A . U 10 HOH 200 503 262 HOH HOH A . U 10 HOH 201 504 265 HOH HOH A . U 10 HOH 202 505 267 HOH HOH A . U 10 HOH 203 506 269 HOH HOH A . U 10 HOH 204 507 270 HOH HOH A . U 10 HOH 205 508 275 HOH HOH A . U 10 HOH 206 509 276 HOH HOH A . U 10 HOH 207 510 277 HOH HOH A . U 10 HOH 208 511 278 HOH HOH A . U 10 HOH 209 512 279 HOH HOH A . U 10 HOH 210 513 280 HOH HOH A . U 10 HOH 211 514 281 HOH HOH A . U 10 HOH 212 515 283 HOH HOH A . U 10 HOH 213 516 286 HOH HOH A . U 10 HOH 214 517 287 HOH HOH A . U 10 HOH 215 518 293 HOH HOH A . U 10 HOH 216 519 296 HOH HOH A . U 10 HOH 217 520 297 HOH HOH A . U 10 HOH 218 521 397 HOH HOH A . V 10 HOH 1 102 5 HOH HOH B . V 10 HOH 2 103 6 HOH HOH B . V 10 HOH 3 104 104 HOH HOH B . V 10 HOH 4 105 105 HOH HOH B . V 10 HOH 5 106 7 HOH HOH B . V 10 HOH 6 107 8 HOH HOH B . V 10 HOH 7 108 9 HOH HOH B . V 10 HOH 8 109 10 HOH HOH B . V 10 HOH 9 110 13 HOH HOH B . V 10 HOH 10 111 17 HOH HOH B . V 10 HOH 11 112 19 HOH HOH B . V 10 HOH 12 113 113 HOH HOH B . V 10 HOH 13 114 21 HOH HOH B . V 10 HOH 14 115 31 HOH HOH B . V 10 HOH 15 116 116 HOH HOH B . V 10 HOH 16 117 36 HOH HOH B . V 10 HOH 17 118 38 HOH HOH B . V 10 HOH 18 119 40 HOH HOH B . V 10 HOH 19 120 43 HOH HOH B . V 10 HOH 20 121 44 HOH HOH B . V 10 HOH 21 122 122 HOH HOH B . V 10 HOH 22 123 46 HOH HOH B . V 10 HOH 23 124 49 HOH HOH B . V 10 HOH 24 125 125 HOH HOH B . V 10 HOH 25 126 51 HOH HOH B . V 10 HOH 26 127 53 HOH HOH B . V 10 HOH 27 128 57 HOH HOH B . V 10 HOH 28 129 68 HOH HOH B . V 10 HOH 29 130 130 HOH HOH B . V 10 HOH 30 131 70 HOH HOH B . V 10 HOH 31 132 71 HOH HOH B . V 10 HOH 32 133 73 HOH HOH B . V 10 HOH 33 134 75 HOH HOH B . V 10 HOH 34 135 135 HOH HOH B . V 10 HOH 35 136 79 HOH HOH B . V 10 HOH 36 137 137 HOH HOH B . V 10 HOH 37 138 80 HOH HOH B . V 10 HOH 38 139 81 HOH HOH B . V 10 HOH 39 140 92 HOH HOH B . V 10 HOH 40 141 99 HOH HOH B . V 10 HOH 41 142 100 HOH HOH B . V 10 HOH 42 145 145 HOH HOH B . V 10 HOH 43 148 148 HOH HOH B . V 10 HOH 44 149 149 HOH HOH B . V 10 HOH 45 151 151 HOH HOH B . V 10 HOH 46 153 153 HOH HOH B . V 10 HOH 47 160 160 HOH HOH B . V 10 HOH 48 164 164 HOH HOH B . V 10 HOH 49 173 173 HOH HOH B . V 10 HOH 50 177 177 HOH HOH B . V 10 HOH 51 185 185 HOH HOH B . V 10 HOH 52 192 192 HOH HOH B . V 10 HOH 53 194 194 HOH HOH B . V 10 HOH 54 205 205 HOH HOH B . V 10 HOH 55 208 208 HOH HOH B . V 10 HOH 56 211 211 HOH HOH B . V 10 HOH 57 212 212 HOH HOH B . V 10 HOH 58 225 225 HOH HOH B . V 10 HOH 59 233 233 HOH HOH B . V 10 HOH 60 234 234 HOH HOH B . V 10 HOH 61 237 237 HOH HOH B . V 10 HOH 62 238 238 HOH HOH B . V 10 HOH 63 246 246 HOH HOH B . V 10 HOH 64 248 248 HOH HOH B . V 10 HOH 65 251 251 HOH HOH B . V 10 HOH 66 252 252 HOH HOH B . V 10 HOH 67 253 253 HOH HOH B . V 10 HOH 68 258 258 HOH HOH B . V 10 HOH 69 260 260 HOH HOH B . V 10 HOH 70 261 261 HOH HOH B . V 10 HOH 71 264 264 HOH HOH B . V 10 HOH 72 266 266 HOH HOH B . V 10 HOH 73 268 268 HOH HOH B . V 10 HOH 74 271 271 HOH HOH B . V 10 HOH 75 273 273 HOH HOH B . V 10 HOH 76 284 284 HOH HOH B . V 10 HOH 77 285 285 HOH HOH B . V 10 HOH 78 288 288 HOH HOH B . V 10 HOH 79 291 291 HOH HOH B . V 10 HOH 80 299 299 HOH HOH B . V 10 HOH 81 303 303 HOH HOH B . V 10 HOH 82 310 310 HOH HOH B . V 10 HOH 83 313 313 HOH HOH B . V 10 HOH 84 319 319 HOH HOH B . V 10 HOH 85 320 320 HOH HOH B . V 10 HOH 86 323 323 HOH HOH B . V 10 HOH 87 324 324 HOH HOH B . V 10 HOH 88 325 325 HOH HOH B . V 10 HOH 89 360 360 HOH HOH B . V 10 HOH 90 362 362 HOH HOH B . V 10 HOH 91 368 368 HOH HOH B . V 10 HOH 92 392 392 HOH HOH B . V 10 HOH 93 396 396 HOH HOH B . V 10 HOH 94 398 398 HOH HOH B . V 10 HOH 95 406 406 HOH HOH B . V 10 HOH 96 521 298 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)' 6960 ? 1 MORE 38 ? 1 'SSA (A^2)' 19040 ? # _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 -1.7646 -13.2570 10.5992 0.0200 0.0758 0.0207 0.0090 0.0058 -0.0182 3.5750 1.1282 1.2991 1.0715 0.9721 0.0262 0.0182 -0.1082 0.0899 -0.4181 0.0816 -0.0540 0.0411 -0.0273 -0.2114 'X-RAY DIFFRACTION' 2 ? refined -19.6270 -35.8383 -13.1994 0.1133 0.0111 0.0983 -0.0133 0.0313 0.0002 2.2439 4.1610 2.8123 1.4104 1.0158 1.2785 -0.0520 0.1889 -0.1369 0.0410 -0.3750 -0.1916 -0.4760 0.1451 0.0894 'X-RAY DIFFRACTION' 3 ? refined -16.3481 -14.0117 -13.9424 0.1220 0.0418 0.0444 -0.0172 -0.0323 0.0053 3.1700 0.7218 2.3171 0.4141 1.4897 0.1996 -0.2557 0.1280 0.1277 0.1335 0.2153 0.0833 -0.2168 -0.2302 -0.0080 # 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 3GMM _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 436 ? ? O A HOH 492 ? ? 2.01 2 1 O A GLY 272 ? ? O A HOH 367 ? ? 2.09 3 1 O B HOH 105 ? ? O B HOH 521 ? ? 2.09 4 1 OE1 A GLU 83 ? ? O A HOH 369 ? ? 2.18 # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 CD1 _pdbx_validate_symm_contact.auth_asym_id_1 B _pdbx_validate_symm_contact.auth_comp_id_1 ILE _pdbx_validate_symm_contact.auth_seq_id_1 1 _pdbx_validate_symm_contact.PDB_ins_code_1 ? _pdbx_validate_symm_contact.label_alt_id_1 ? _pdbx_validate_symm_contact.site_symmetry_1 1_555 _pdbx_validate_symm_contact.auth_atom_id_2 O _pdbx_validate_symm_contact.auth_asym_id_2 B _pdbx_validate_symm_contact.auth_comp_id_2 HOH _pdbx_validate_symm_contact.auth_seq_id_2 392 _pdbx_validate_symm_contact.PDB_ins_code_2 ? _pdbx_validate_symm_contact.label_alt_id_2 ? _pdbx_validate_symm_contact.site_symmetry_2 1_655 _pdbx_validate_symm_contact.dist 1.33 # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CG _pdbx_validate_rmsd_bond.auth_asym_id_1 B _pdbx_validate_rmsd_bond.auth_comp_id_1 MET _pdbx_validate_rmsd_bond.auth_seq_id_1 54 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 ? _pdbx_validate_rmsd_bond.auth_atom_id_2 SD _pdbx_validate_rmsd_bond.auth_asym_id_2 B _pdbx_validate_rmsd_bond.auth_comp_id_2 MET _pdbx_validate_rmsd_bond.auth_seq_id_2 54 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 ? _pdbx_validate_rmsd_bond.bond_value 1.619 _pdbx_validate_rmsd_bond.bond_target_value 1.807 _pdbx_validate_rmsd_bond.bond_deviation -0.188 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.026 _pdbx_validate_rmsd_bond.linker_flag 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 ? ? -170.21 -172.68 2 1 PRO A 108 ? ? -26.87 131.26 3 1 ASP A 166 ? ? -128.68 -58.20 4 1 GLU A 257 ? ? -72.95 42.89 5 1 LYS B 48 ? ? -91.59 30.52 6 1 TRP B 60 ? ? 77.96 -6.01 7 1 ARG B 97 ? ? 82.52 2.91 # 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 'N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide' C8P 8 'PALMITIC ACID' PLM 9 1,2-ETHANEDIOL EDO 10 water HOH #