data_4YYB # _entry.id 4YYB # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4YYB WWPDB D_1000208276 # loop_ _pdbx_database_related.db_name _pdbx_database_related.details _pdbx_database_related.db_id _pdbx_database_related.content_type PDB . 4yy1 unspecified PDB . 4yy0 unspecified PDB . 4yy7 unspecified PDB . 4yy9 unspecified PDB . 4yya unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 4YYB _pdbx_database_status.recvd_initial_deposition_date 2015-03-23 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Wang, F.' 1 'Qi, J.' 2 'Bi, Y.' 3 'Zhang, W.' 4 'Wang, M.' 5 'Wang, M.' 6 'Liu, J.' 7 'Yan, J.' 8 'Shi, Y.' 9 'Gao, G.F.' 10 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country ? _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'To Be Published' _citation.journal_id_ASTM ? _citation.journal_id_CSD 0353 _citation.journal_id_ISSN ? _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume ? _citation.language ? _citation.page_first ? _citation.page_last ? _citation.title 'Structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013) at 2.6 Angstroms resolution' _citation.year ? _citation.database_id_CSD ? _citation.pdbx_database_id_DOI ? _citation.pdbx_database_id_PubMed ? _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Wang, F.' 1 primary 'Qi, J.' 2 primary 'Bi, Y.' 3 primary 'Zhang, W.' 4 primary 'Wang, M.' 5 primary 'Wang, M.' 6 primary 'Liu, J.' 7 primary 'Yan, J.' 8 primary 'Shi, Y.' 9 primary 'Gao, G.F.' 10 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 90.00 _cell.angle_beta_esd ? _cell.angle_gamma 120.00 _cell.angle_gamma_esd ? _cell.entry_id 4YYB _cell.details ? _cell.formula_units_Z ? _cell.length_a 114.387 _cell.length_a_esd ? _cell.length_b 114.387 _cell.length_b_esd ? _cell.length_c 166.049 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 6 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 4YYB _symmetry.cell_setting ? _symmetry.Int_Tables_number 173 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 63' _symmetry.pdbx_full_space_group_name_H-M ? # 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 HA1 36548.293 1 ? ? ? ? 2 polymer man HA2 18536.426 1 ? ? ? ? 3 non-polymer syn N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 4 non-polymer man 'O-SIALIC ACID' 309.270 1 ? ? ? ? 5 non-polymer man BETA-D-GALACTOSE 180.156 1 ? ? ? ? 6 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 7 water nat water 18.015 91 ? ? ? ? # 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 ;DKICIGYHANNSTTQVDTLLEKNVTVTHSVELLENQKEKRFCKIMNKAPLDLKDCTIEGWILGNPKCDLLLGDQSWSYIV ERPNAQNGICYPGVLNELEELKAFIGSGERVERFEMFPKSTWAGVDTSRGVTNACPSYTLDSSFYRNLVWLVKTDSATYP VIKGTYNNTGTQPILYFWGVHHPLDTTVQDNLYGSGDKYVRMGTESMNFAKSPEIAARPAVNGQRSRIDYYWSVLRPGET LNVESNGNLIAPWYAYKFVSTNKKGAVFKSDLPIENCDATCQTITGVLRTNKTFQNVSPLWIGECPKYVKSESLRLATGL RNVPQ ; ;DKICIGYHANNSTTQVDTLLEKNVTVTHSVELLENQKEKRFCKIMNKAPLDLKDCTIEGWILGNPKCDLLLGDQSWSYIV ERPNAQNGICYPGVLNELEELKAFIGSGERVERFEMFPKSTWAGVDTSRGVTNACPSYTLDSSFYRNLVWLVKTDSATYP VIKGTYNNTGTQPILYFWGVHHPLDTTVQDNLYGSGDKYVRMGTESMNFAKSPEIAARPAVNGQRSRIDYYWSVLRPGET LNVESNGNLIAPWYAYKFVSTNKKGAVFKSDLPIENCDATCQTITGVLRTNKTFQNVSPLWIGECPKYVKSESLRLATGL RNVPQ ; A ? 2 'polypeptide(L)' no no ;GIFGAIAGFIEGGWTGMIDGWYGYHHENSQGSGYAADRESTQKAIDGITNKVNSIINKMNTQFEAVDHEFSNLERRIGNL NKRMEDGFLDVWTYNAELLVLLENERTLDLHDANVKNLYEKVKSQLRDNANDLGNGCFEFWHKCDNECMESVKNGTYDYP KY ; ;GIFGAIAGFIEGGWTGMIDGWYGYHHENSQGSGYAADRESTQKAIDGITNKVNSIINKMNTQFEAVDHEFSNLERRIGNL NKRMEDGFLDVWTYNAELLVLLENERTLDLHDANVKNLYEKVKSQLRDNANDLGNGCFEFWHKCDNECMESVKNGTYDYP KY ; B ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ASP n 1 2 LYS n 1 3 ILE n 1 4 CYS n 1 5 ILE n 1 6 GLY n 1 7 TYR n 1 8 HIS n 1 9 ALA n 1 10 ASN n 1 11 ASN n 1 12 SER n 1 13 THR n 1 14 THR n 1 15 GLN n 1 16 VAL n 1 17 ASP n 1 18 THR n 1 19 LEU n 1 20 LEU n 1 21 GLU n 1 22 LYS n 1 23 ASN n 1 24 VAL n 1 25 THR n 1 26 VAL n 1 27 THR n 1 28 HIS n 1 29 SER n 1 30 VAL n 1 31 GLU n 1 32 LEU n 1 33 LEU n 1 34 GLU n 1 35 ASN n 1 36 GLN n 1 37 LYS n 1 38 GLU n 1 39 LYS n 1 40 ARG n 1 41 PHE n 1 42 CYS n 1 43 LYS n 1 44 ILE n 1 45 MET n 1 46 ASN n 1 47 LYS n 1 48 ALA n 1 49 PRO n 1 50 LEU n 1 51 ASP n 1 52 LEU n 1 53 LYS n 1 54 ASP n 1 55 CYS n 1 56 THR n 1 57 ILE n 1 58 GLU n 1 59 GLY n 1 60 TRP n 1 61 ILE n 1 62 LEU n 1 63 GLY n 1 64 ASN n 1 65 PRO n 1 66 LYS n 1 67 CYS n 1 68 ASP n 1 69 LEU n 1 70 LEU n 1 71 LEU n 1 72 GLY n 1 73 ASP n 1 74 GLN n 1 75 SER n 1 76 TRP n 1 77 SER n 1 78 TYR n 1 79 ILE n 1 80 VAL n 1 81 GLU n 1 82 ARG n 1 83 PRO n 1 84 ASN n 1 85 ALA n 1 86 GLN n 1 87 ASN n 1 88 GLY n 1 89 ILE n 1 90 CYS n 1 91 TYR n 1 92 PRO n 1 93 GLY n 1 94 VAL n 1 95 LEU n 1 96 ASN n 1 97 GLU n 1 98 LEU n 1 99 GLU n 1 100 GLU n 1 101 LEU n 1 102 LYS n 1 103 ALA n 1 104 PHE n 1 105 ILE n 1 106 GLY n 1 107 SER n 1 108 GLY n 1 109 GLU n 1 110 ARG n 1 111 VAL n 1 112 GLU n 1 113 ARG n 1 114 PHE n 1 115 GLU n 1 116 MET n 1 117 PHE n 1 118 PRO n 1 119 LYS n 1 120 SER n 1 121 THR n 1 122 TRP n 1 123 ALA n 1 124 GLY n 1 125 VAL n 1 126 ASP n 1 127 THR n 1 128 SER n 1 129 ARG n 1 130 GLY n 1 131 VAL n 1 132 THR n 1 133 ASN n 1 134 ALA n 1 135 CYS n 1 136 PRO n 1 137 SER n 1 138 TYR n 1 139 THR n 1 140 LEU n 1 141 ASP n 1 142 SER n 1 143 SER n 1 144 PHE n 1 145 TYR n 1 146 ARG n 1 147 ASN n 1 148 LEU n 1 149 VAL n 1 150 TRP n 1 151 LEU n 1 152 VAL n 1 153 LYS n 1 154 THR n 1 155 ASP n 1 156 SER n 1 157 ALA n 1 158 THR n 1 159 TYR n 1 160 PRO n 1 161 VAL n 1 162 ILE n 1 163 LYS n 1 164 GLY n 1 165 THR n 1 166 TYR n 1 167 ASN n 1 168 ASN n 1 169 THR n 1 170 GLY n 1 171 THR n 1 172 GLN n 1 173 PRO n 1 174 ILE n 1 175 LEU n 1 176 TYR n 1 177 PHE n 1 178 TRP n 1 179 GLY n 1 180 VAL n 1 181 HIS n 1 182 HIS n 1 183 PRO n 1 184 LEU n 1 185 ASP n 1 186 THR n 1 187 THR n 1 188 VAL n 1 189 GLN n 1 190 ASP n 1 191 ASN n 1 192 LEU n 1 193 TYR n 1 194 GLY n 1 195 SER n 1 196 GLY n 1 197 ASP n 1 198 LYS n 1 199 TYR n 1 200 VAL n 1 201 ARG n 1 202 MET n 1 203 GLY n 1 204 THR n 1 205 GLU n 1 206 SER n 1 207 MET n 1 208 ASN n 1 209 PHE n 1 210 ALA n 1 211 LYS n 1 212 SER n 1 213 PRO n 1 214 GLU n 1 215 ILE n 1 216 ALA n 1 217 ALA n 1 218 ARG n 1 219 PRO n 1 220 ALA n 1 221 VAL n 1 222 ASN n 1 223 GLY n 1 224 GLN n 1 225 ARG n 1 226 SER n 1 227 ARG n 1 228 ILE n 1 229 ASP n 1 230 TYR n 1 231 TYR n 1 232 TRP n 1 233 SER n 1 234 VAL n 1 235 LEU n 1 236 ARG n 1 237 PRO n 1 238 GLY n 1 239 GLU n 1 240 THR n 1 241 LEU n 1 242 ASN n 1 243 VAL n 1 244 GLU n 1 245 SER n 1 246 ASN n 1 247 GLY n 1 248 ASN n 1 249 LEU n 1 250 ILE n 1 251 ALA n 1 252 PRO n 1 253 TRP n 1 254 TYR n 1 255 ALA n 1 256 TYR n 1 257 LYS n 1 258 PHE n 1 259 VAL n 1 260 SER n 1 261 THR n 1 262 ASN n 1 263 LYS n 1 264 LYS n 1 265 GLY n 1 266 ALA n 1 267 VAL n 1 268 PHE n 1 269 LYS n 1 270 SER n 1 271 ASP n 1 272 LEU n 1 273 PRO n 1 274 ILE n 1 275 GLU n 1 276 ASN n 1 277 CYS n 1 278 ASP n 1 279 ALA n 1 280 THR n 1 281 CYS n 1 282 GLN n 1 283 THR n 1 284 ILE n 1 285 THR n 1 286 GLY n 1 287 VAL n 1 288 LEU n 1 289 ARG n 1 290 THR n 1 291 ASN n 1 292 LYS n 1 293 THR n 1 294 PHE n 1 295 GLN n 1 296 ASN n 1 297 VAL n 1 298 SER n 1 299 PRO n 1 300 LEU n 1 301 TRP n 1 302 ILE n 1 303 GLY n 1 304 GLU n 1 305 CYS n 1 306 PRO n 1 307 LYS n 1 308 TYR n 1 309 VAL n 1 310 LYS n 1 311 SER n 1 312 GLU n 1 313 SER n 1 314 LEU n 1 315 ARG n 1 316 LEU n 1 317 ALA n 1 318 THR n 1 319 GLY n 1 320 LEU n 1 321 ARG n 1 322 ASN n 1 323 VAL n 1 324 PRO n 1 325 GLN n 2 1 GLY n 2 2 ILE n 2 3 PHE n 2 4 GLY n 2 5 ALA n 2 6 ILE n 2 7 ALA n 2 8 GLY n 2 9 PHE n 2 10 ILE n 2 11 GLU n 2 12 GLY n 2 13 GLY n 2 14 TRP n 2 15 THR n 2 16 GLY n 2 17 MET n 2 18 ILE n 2 19 ASP n 2 20 GLY n 2 21 TRP n 2 22 TYR n 2 23 GLY n 2 24 TYR n 2 25 HIS n 2 26 HIS n 2 27 GLU n 2 28 ASN n 2 29 SER n 2 30 GLN n 2 31 GLY n 2 32 SER n 2 33 GLY n 2 34 TYR n 2 35 ALA n 2 36 ALA n 2 37 ASP n 2 38 ARG n 2 39 GLU n 2 40 SER n 2 41 THR n 2 42 GLN n 2 43 LYS n 2 44 ALA n 2 45 ILE n 2 46 ASP n 2 47 GLY n 2 48 ILE n 2 49 THR n 2 50 ASN n 2 51 LYS n 2 52 VAL n 2 53 ASN n 2 54 SER n 2 55 ILE n 2 56 ILE n 2 57 ASN n 2 58 LYS n 2 59 MET n 2 60 ASN n 2 61 THR n 2 62 GLN n 2 63 PHE n 2 64 GLU n 2 65 ALA n 2 66 VAL n 2 67 ASP n 2 68 HIS n 2 69 GLU n 2 70 PHE n 2 71 SER n 2 72 ASN n 2 73 LEU n 2 74 GLU n 2 75 ARG n 2 76 ARG n 2 77 ILE n 2 78 GLY n 2 79 ASN n 2 80 LEU n 2 81 ASN n 2 82 LYS n 2 83 ARG n 2 84 MET n 2 85 GLU n 2 86 ASP n 2 87 GLY n 2 88 PHE n 2 89 LEU n 2 90 ASP n 2 91 VAL n 2 92 TRP n 2 93 THR n 2 94 TYR n 2 95 ASN n 2 96 ALA n 2 97 GLU n 2 98 LEU n 2 99 LEU n 2 100 VAL n 2 101 LEU n 2 102 LEU n 2 103 GLU n 2 104 ASN n 2 105 GLU n 2 106 ARG n 2 107 THR n 2 108 LEU n 2 109 ASP n 2 110 LEU n 2 111 HIS n 2 112 ASP n 2 113 ALA n 2 114 ASN n 2 115 VAL n 2 116 LYS n 2 117 ASN n 2 118 LEU n 2 119 TYR n 2 120 GLU n 2 121 LYS n 2 122 VAL n 2 123 LYS n 2 124 SER n 2 125 GLN n 2 126 LEU n 2 127 ARG n 2 128 ASP n 2 129 ASN n 2 130 ALA n 2 131 ASN n 2 132 ASP n 2 133 LEU n 2 134 GLY n 2 135 ASN n 2 136 GLY n 2 137 CYS n 2 138 PHE n 2 139 GLU n 2 140 PHE n 2 141 TRP n 2 142 HIS n 2 143 LYS n 2 144 CYS n 2 145 ASP n 2 146 ASN n 2 147 GLU n 2 148 CYS n 2 149 MET n 2 150 GLU n 2 151 SER n 2 152 VAL n 2 153 LYS n 2 154 ASN n 2 155 GLY n 2 156 THR n 2 157 TYR n 2 158 ASP n 2 159 TYR n 2 160 PRO n 2 161 LYS n 2 162 TYR n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample 'Biological sequence' 1 325 ? ? ? ? ? ? ? ? ? 'unidentified influenza virus' 119212 ? ? ? ? ? ? ? ? 'Insect cell expression vector pTIE1' 266783 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample 'Biological sequence' 1 162 ? ? ? ? ? ? ? ? ? 'unidentified influenza virus' 119212 ? ? ? ? ? ? ? ? 'Insect cell expression vector pTIE1' 266783 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin 1 PDB 4YYB 4YYB ? 1 ? 1 2 PDB 4YYB 4YYB ? 2 ? 1 # 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 4YYB A 1 ? 325 ? 4YYB 1 ? 325 ? 1 325 2 2 4YYB B 1 ? 162 ? 4YYB 330 ? 491 ? 330 491 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GAL D-saccharide . BETA-D-GALACTOSE ? 'C6 H12 O6' 180.156 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 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SIA non-polymer . 'O-SIALIC ACID' ? 'C11 H19 N O9' 309.270 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.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 4YYB _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 5.69 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 78.39 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH ? _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 291.15 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '0.2M ammonium acetate, 0.1M sodium acetate pH4.0, 15%(w/v) PEG4000' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'ADSC QUANTUM 315r' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2013-09-10 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9793 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'SSRF BEAMLINE BL17U' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.9793 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BL17U _diffrn_source.pdbx_synchrotron_site SSRF # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 4YYB _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.609 _reflns.d_resolution_low 50 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 37317 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 99.9 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 12.2 _reflns.pdbx_Rmerge_I_obs 0.137 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 21.2 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 2.6 _reflns_shell.d_res_low 2.69 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 3.8 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 99.9 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 0.846 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 12.6 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][2] ? _refine.aniso_B[2][3] ? _refine.aniso_B[3][3] ? _refine.B_iso_max ? _refine.B_iso_mean ? _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.details ? _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 4YYB _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 2.609 _refine.ls_d_res_low 39.774 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 37317 _refine.ls_number_reflns_R_free 1868 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.75 _refine.ls_percent_reflns_R_free 5.01 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1941 _refine.ls_R_factor_R_free 0.2265 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.1924 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.34 _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_R_Free_selection_details ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error 23.05 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B ? _refine.overall_SU_ML 0.30 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3970 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 0 _refine_hist.number_atoms_solvent 91 _refine_hist.number_atoms_total 4061 _refine_hist.d_res_high 2.609 _refine_hist.d_res_low 39.774 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.008 ? 4070 ? f_bond_d ? ? 'X-RAY DIFFRACTION' ? 1.111 ? 5522 ? f_angle_d ? ? 'X-RAY DIFFRACTION' ? 14.543 ? 1477 ? f_dihedral_angle_d ? ? 'X-RAY DIFFRACTION' ? 0.051 ? 612 ? f_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.005 ? 708 ? f_plane_restr ? ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.R_factor_R_work _refine_ls_shell.redundancy_reflns_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.wR_factor_all _refine_ls_shell.wR_factor_obs _refine_ls_shell.wR_factor_R_free _refine_ls_shell.wR_factor_R_work _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.pdbx_phase_error _refine_ls_shell.pdbx_fsc_work _refine_ls_shell.pdbx_fsc_free 'X-RAY DIFFRACTION' 2.6093 2.6798 . . 154 2637 97.00 . . . 0.3100 . 0.2577 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.6798 2.7587 . . 137 2712 100.00 . . . 0.2707 . 0.2303 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.7587 2.8477 . . 148 2726 100.00 . . . 0.2370 . 0.2105 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.8477 2.9494 . . 131 2742 100.00 . . . 0.2563 . 0.2070 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.9494 3.0675 . . 138 2721 100.00 . . . 0.2486 . 0.2020 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.0675 3.2070 . . 147 2730 100.00 . . . 0.2561 . 0.1996 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.2070 3.3760 . . 147 2728 100.00 . . . 0.2419 . 0.2032 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.3760 3.5874 . . 141 2742 100.00 . . . 0.2022 . 0.1952 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.5874 3.8642 . . 142 2734 100.00 . . . 0.2269 . 0.1765 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.8642 4.2527 . . 149 2719 100.00 . . . 0.2095 . 0.1604 . . . . . . . . . . 'X-RAY DIFFRACTION' 4.2527 4.8671 . . 142 2751 100.00 . . . 0.1735 . 0.1573 . . . . . . . . . . 'X-RAY DIFFRACTION' 4.8671 6.1284 . . 156 2729 100.00 . . . 0.2207 . 0.1932 . . . . . . . . . . 'X-RAY DIFFRACTION' 6.1284 39.7786 . . 136 2778 99.00 . . . 0.2456 . 0.2203 . . . . . . . . . . # _struct.entry_id 4YYB _struct.title ;The structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013) in complex with human receptor analog 6'SLNLN ; _struct.pdbx_descriptor 'HA1, HA2' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 4YYB _struct_keywords.text 'Hemagglutinin, IMMUNE SYSTEM' _struct_keywords.pdbx_keywords '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 4 ? F N N 5 ? G N N 3 ? H N N 3 ? I N N 6 ? J N N 7 ? K N N 7 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 THR A 56 ? GLY A 63 ? THR A 56 GLY A 63 1 ? 8 HELX_P HELX_P2 AA2 ASN A 64 ? ASP A 68 ? ASN A 64 ASP A 68 5 ? 5 HELX_P HELX_P3 AA3 GLU A 97 ? SER A 107 ? GLU A 97 SER A 107 1 ? 11 HELX_P HELX_P4 AA4 PRO A 118 ? TRP A 122 ? PRO A 118 TRP A 122 5 ? 5 HELX_P HELX_P5 AA5 ASP A 185 ? GLY A 194 ? ASP A 185 GLY A 194 1 ? 10 HELX_P HELX_P6 AA6 ASP B 37 ? MET B 59 ? ASP B 366 MET B 388 1 ? 23 HELX_P HELX_P7 AA7 GLU B 74 ? ARG B 127 ? GLU B 403 ARG B 456 1 ? 54 HELX_P HELX_P8 AA8 ASP B 145 ? ASN B 154 ? ASP B 474 ASN B 483 1 ? 10 # _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 4 SG ? ? ? 1_555 B CYS 137 SG ? ? A CYS 4 B CYS 466 1_555 ? ? ? ? ? ? ? 2.047 ? disulf2 disulf ? ? A CYS 42 SG ? ? ? 1_555 A CYS 277 SG ? ? A CYS 42 A CYS 277 1_555 ? ? ? ? ? ? ? 2.041 ? disulf3 disulf ? ? A CYS 55 SG ? ? ? 1_555 A CYS 67 SG ? ? A CYS 55 A CYS 67 1_555 ? ? ? ? ? ? ? 2.039 ? disulf4 disulf ? ? A CYS 90 SG ? ? ? 1_555 A CYS 135 SG ? ? A CYS 90 A CYS 135 1_555 ? ? ? ? ? ? ? 2.055 ? disulf5 disulf ? ? A CYS 281 SG ? ? ? 1_555 A CYS 305 SG ? ? A CYS 281 A CYS 305 1_555 ? ? ? ? ? ? ? 2.045 ? disulf6 disulf ? ? B CYS 144 SG ? ? ? 1_555 B CYS 148 SG ? ? B CYS 473 B CYS 477 1_555 ? ? ? ? ? ? ? 2.056 ? covale1 covale one ? A ASN 23 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 23 A NAG 601 1_555 ? ? ? ? ? ? ? 1.436 ? covale2 covale one ? A ASN 167 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 167 A NAG 602 1_555 ? ? ? ? ? ? ? 1.416 ? covale3 covale one ? B ASN 154 ND2 ? ? ? 1_555 G NAG . C1 ? ? B ASN 483 B NAG 501 1_555 ? ? ? ? ? ? ? 1.439 ? covale4 covale one ? E SIA . C2 ? ? ? 1_555 F GAL . O6 ? ? A SIA 603 A GAL 604 1_555 ? ? ? ? ? ? ? 1.438 ? covale5 covale both ? G NAG . O4 ? ? ? 1_555 H NAG . C1 ? ? B NAG 501 B NAG 502 1_555 ? ? ? ? ? ? ? 1.441 ? covale6 covale both ? H NAG . O4 ? ? ? 1_555 I BMA . C1 ? ? B NAG 502 B BMA 503 1_555 ? ? ? ? ? ? ? 1.451 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 5 ? AA2 ? 2 ? AA3 ? 2 ? AA4 ? 3 ? AA5 ? 2 ? AA6 ? 3 ? AA7 ? 6 ? AA8 ? 6 ? AA9 ? 4 ? AB1 ? 3 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA1 4 5 ? anti-parallel AA2 1 2 ? anti-parallel AA3 1 2 ? anti-parallel AA4 1 2 ? parallel AA4 2 3 ? parallel AA5 1 2 ? parallel AA6 1 2 ? parallel AA6 2 3 ? parallel AA7 1 2 ? anti-parallel AA7 2 3 ? anti-parallel AA7 3 4 ? anti-parallel AA7 4 5 ? anti-parallel AA7 5 6 ? parallel AA8 1 2 ? anti-parallel AA8 2 3 ? anti-parallel AA8 3 4 ? anti-parallel AA8 4 5 ? anti-parallel AA8 5 6 ? anti-parallel AA9 1 2 ? anti-parallel AA9 2 3 ? anti-parallel AA9 3 4 ? anti-parallel AB1 1 2 ? anti-parallel AB1 2 3 ? 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 AA1 1 GLY B 31 ? ALA B 36 ? GLY B 360 ALA B 365 AA1 2 TYR B 22 ? ASN B 28 ? TYR B 351 ASN B 357 AA1 3 LYS A 2 ? TYR A 7 ? LYS A 2 TYR A 7 AA1 4 CYS B 137 ? PHE B 140 ? CYS B 466 PHE B 469 AA1 5 ALA B 130 ? ASP B 132 ? ALA B 459 ASP B 461 AA2 1 GLN A 15 ? VAL A 16 ? GLN A 15 VAL A 16 AA2 2 VAL A 24 ? THR A 25 ? VAL A 24 THR A 25 AA3 1 SER A 29 ? GLU A 31 ? SER A 29 GLU A 31 AA3 2 ARG A 315 ? ALA A 317 ? ARG A 315 ALA A 317 AA4 1 LEU A 33 ? GLU A 34 ? LEU A 33 GLU A 34 AA4 2 PHE A 294 ? GLN A 295 ? PHE A 294 GLN A 295 AA4 3 LYS A 307 ? TYR A 308 ? LYS A 307 TYR A 308 AA5 1 PHE A 41 ? ILE A 44 ? PHE A 41 ILE A 44 AA5 2 ILE A 274 ? ALA A 279 ? ILE A 274 ALA A 279 AA6 1 LEU A 50 ? ASP A 51 ? LEU A 50 ASP A 51 AA6 2 ILE A 79 ? GLU A 81 ? ILE A 79 GLU A 81 AA6 3 VAL A 267 ? LYS A 269 ? VAL A 267 LYS A 269 AA7 1 GLN A 74 ? SER A 75 ? GLN A 74 SER A 75 AA7 2 GLY A 108 ? GLU A 115 ? GLY A 108 GLU A 115 AA7 3 TYR A 254 ? SER A 260 ? TYR A 254 SER A 260 AA7 4 ILE A 174 ? HIS A 182 ? ILE A 174 HIS A 182 AA7 5 ARG A 227 ? LEU A 235 ? ARG A 227 LEU A 235 AA7 6 GLY A 93 ? LEU A 95 ? GLY A 93 LEU A 95 AA8 1 GLN A 74 ? SER A 75 ? GLN A 74 SER A 75 AA8 2 GLY A 108 ? GLU A 115 ? GLY A 108 GLU A 115 AA8 3 TYR A 254 ? SER A 260 ? TYR A 254 SER A 260 AA8 4 ILE A 174 ? HIS A 182 ? ILE A 174 HIS A 182 AA8 5 LEU A 249 ? PRO A 252 ? LEU A 249 PRO A 252 AA8 6 LEU A 148 ? TRP A 150 ? LEU A 148 TRP A 150 AA9 1 ILE A 162 ? ASN A 167 ? ILE A 162 ASN A 167 AA9 2 THR A 240 ? SER A 245 ? THR A 240 SER A 245 AA9 3 VAL A 200 ? GLY A 203 ? VAL A 200 GLY A 203 AA9 4 ASN A 208 ? LYS A 211 ? ASN A 208 LYS A 211 AB1 1 GLY A 286 ? VAL A 287 ? GLY A 286 VAL A 287 AB1 2 CYS A 281 ? THR A 283 ? CYS A 281 THR A 283 AB1 3 TRP A 301 ? GLY A 303 ? TRP A 301 GLY A 303 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 O ALA B 35 ? O ALA B 364 N TYR B 24 ? N TYR B 353 AA1 2 3 O HIS B 25 ? O HIS B 354 N CYS A 4 ? N CYS A 4 AA1 3 4 N ILE A 3 ? N ILE A 3 O PHE B 138 ? O PHE B 467 AA1 4 5 O GLU B 139 ? O GLU B 468 N ASN B 131 ? N ASN B 460 AA2 1 2 N VAL A 16 ? N VAL A 16 O VAL A 24 ? O VAL A 24 AA3 1 2 N VAL A 30 ? N VAL A 30 O LEU A 316 ? O LEU A 316 AA4 1 2 N GLU A 34 ? N GLU A 34 O PHE A 294 ? O PHE A 294 AA4 2 3 N GLN A 295 ? N GLN A 295 O LYS A 307 ? O LYS A 307 AA5 1 2 N LYS A 43 ? N LYS A 43 O CYS A 277 ? O CYS A 277 AA6 1 2 N LEU A 50 ? N LEU A 50 O VAL A 80 ? O VAL A 80 AA6 2 3 N GLU A 81 ? N GLU A 81 O PHE A 268 ? O PHE A 268 AA7 1 2 N GLN A 74 ? N GLN A 74 O VAL A 111 ? O VAL A 111 AA7 2 3 N GLU A 112 ? N GLU A 112 O LYS A 257 ? O LYS A 257 AA7 3 4 O TYR A 256 ? O TYR A 256 N LEU A 175 ? N LEU A 175 AA7 4 5 N HIS A 182 ? N HIS A 182 O ARG A 227 ? O ARG A 227 AA7 5 6 O TYR A 230 ? O TYR A 230 N VAL A 94 ? N VAL A 94 AA8 1 2 N GLN A 74 ? N GLN A 74 O VAL A 111 ? O VAL A 111 AA8 2 3 N GLU A 112 ? N GLU A 112 O LYS A 257 ? O LYS A 257 AA8 3 4 O TYR A 256 ? O TYR A 256 N LEU A 175 ? N LEU A 175 AA8 4 5 N GLY A 179 ? N GLY A 179 O ILE A 250 ? O ILE A 250 AA8 5 6 O ALA A 251 ? O ALA A 251 N VAL A 149 ? N VAL A 149 AA9 1 2 N ILE A 162 ? N ILE A 162 O SER A 245 ? O SER A 245 AA9 2 3 O GLU A 244 ? O GLU A 244 N ARG A 201 ? N ARG A 201 AA9 3 4 N MET A 202 ? N MET A 202 O PHE A 209 ? O PHE A 209 AB1 1 2 O GLY A 286 ? O GLY A 286 N THR A 283 ? N THR A 283 AB1 2 3 N GLN A 282 ? N GLN A 282 O ILE A 302 ? O ILE A 302 # 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 B ASN 483 ? 3 'binding site for Poly-Saccharide residues NAG B 501 through BMA B 503 bound to ASN B 483' AC2 Software A SIA 603 ? 8 'binding site for Poly-Saccharide residues SIA A 603 through GAL A 604' # 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 TYR A 138 ? TYR A 138 . ? 4_544 ? 2 AC1 3 GLU B 147 ? GLU B 476 . ? 1_555 ? 3 AC1 3 HOH K . ? HOH B 602 . ? 1_555 ? 4 AC2 8 TYR A 91 ? TYR A 91 . ? 1_555 ? 5 AC2 8 ARG A 129 ? ARG A 129 . ? 1_555 ? 6 AC2 8 VAL A 131 ? VAL A 131 . ? 1_555 ? 7 AC2 8 THR A 132 ? THR A 132 . ? 1_555 ? 8 AC2 8 ASN A 133 ? ASN A 133 . ? 1_555 ? 9 AC2 8 GLY A 223 ? GLY A 223 . ? 1_555 ? 10 AC2 8 GLN A 224 ? GLN A 224 . ? 1_555 ? 11 AC2 8 SER A 226 ? SER A 226 . ? 1_555 ? # _atom_sites.entry_id 4YYB _atom_sites.fract_transf_matrix[1][1] 0.008742 _atom_sites.fract_transf_matrix[1][2] 0.005047 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.010095 _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] 0.006022 _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 . ASP A 1 1 ? 37.131 -37.971 -70.790 1.00 39.95 ? 1 ASP A N 1 ATOM 2 C CA . ASP A 1 1 ? 37.415 -39.054 -69.842 1.00 47.12 ? 1 ASP A CA 1 ATOM 3 C C . ASP A 1 1 ? 38.442 -38.617 -68.812 1.00 52.77 ? 1 ASP A C 1 ATOM 4 O O . ASP A 1 1 ? 39.547 -38.198 -69.167 1.00 50.28 ? 1 ASP A O 1 ATOM 5 C CB . ASP A 1 1 ? 37.924 -40.295 -70.560 1.00 51.25 ? 1 ASP A CB 1 ATOM 6 C CG . ASP A 1 1 ? 36.808 -41.209 -71.019 1.00 58.58 ? 1 ASP A CG 1 ATOM 7 O OD1 . ASP A 1 1 ? 35.661 -40.731 -71.159 1.00 54.44 ? 1 ASP A OD1 1 ATOM 8 O OD2 . ASP A 1 1 ? 37.090 -42.410 -71.251 1.00 59.45 ? 1 ASP A OD2 1 ATOM 9 N N . LYS A 1 2 ? 38.093 -38.719 -67.534 1.00 52.76 ? 2 LYS A N 1 ATOM 10 C CA . LYS A 1 2 ? 38.965 -38.175 -66.514 1.00 51.76 ? 2 LYS A CA 1 ATOM 11 C C . LYS A 1 2 ? 38.919 -38.903 -65.179 1.00 51.93 ? 2 LYS A C 1 ATOM 12 O O . LYS A 1 2 ? 37.926 -39.532 -64.823 1.00 51.21 ? 2 LYS A O 1 ATOM 13 C CB . LYS A 1 2 ? 38.642 -36.695 -66.304 1.00 56.00 ? 2 LYS A CB 1 ATOM 14 C CG . LYS A 1 2 ? 37.193 -36.405 -66.013 1.00 61.69 ? 2 LYS A CG 1 ATOM 15 C CD . LYS A 1 2 ? 36.933 -34.902 -65.966 1.00 70.99 ? 2 LYS A CD 1 ATOM 16 C CE . LYS A 1 2 ? 37.464 -34.282 -64.677 1.00 70.78 ? 2 LYS A CE 1 ATOM 17 N NZ . LYS A 1 2 ? 37.060 -32.850 -64.548 1.00 82.58 ? 2 LYS A NZ 1 ATOM 18 N N . ILE A 1 3 ? 40.023 -38.819 -64.447 1.00 45.56 ? 3 ILE A N 1 ATOM 19 C CA . ILE A 1 3 ? 40.082 -39.370 -63.107 1.00 42.23 ? 3 ILE A CA 1 ATOM 20 C C . ILE A 1 3 ? 40.705 -38.330 -62.173 1.00 44.89 ? 3 ILE A C 1 ATOM 21 O O . ILE A 1 3 ? 41.712 -37.700 -62.500 1.00 45.56 ? 3 ILE A O 1 ATOM 22 C CB . ILE A 1 3 ? 40.855 -40.710 -63.071 1.00 38.19 ? 3 ILE A CB 1 ATOM 23 C CG1 . ILE A 1 3 ? 40.702 -41.372 -61.701 1.00 37.93 ? 3 ILE A CG1 1 ATOM 24 C CG2 . ILE A 1 3 ? 42.319 -40.528 -63.458 1.00 38.64 ? 3 ILE A CG2 1 ATOM 25 C CD1 . ILE A 1 3 ? 41.016 -42.853 -61.701 1.00 38.10 ? 3 ILE A CD1 1 ATOM 26 N N . CYS A 1 4 ? 40.065 -38.120 -61.029 1.00 45.08 ? 4 CYS A N 1 ATOM 27 C CA . CYS A 1 4 ? 40.511 -37.119 -60.069 1.00 42.57 ? 4 CYS A CA 1 ATOM 28 C C . CYS A 1 4 ? 40.937 -37.770 -58.778 1.00 38.69 ? 4 CYS A C 1 ATOM 29 O O . CYS A 1 4 ? 40.412 -38.816 -58.414 1.00 38.63 ? 4 CYS A O 1 ATOM 30 C CB . CYS A 1 4 ? 39.405 -36.109 -59.779 1.00 47.28 ? 4 CYS A CB 1 ATOM 31 S SG . CYS A 1 4 ? 38.803 -35.213 -61.214 1.00 57.69 ? 4 CYS A SG 1 ATOM 32 N N . ILE A 1 5 ? 41.888 -37.150 -58.087 1.00 42.49 ? 5 ILE A N 1 ATOM 33 C CA . ILE A 1 5 ? 42.276 -37.599 -56.757 1.00 40.36 ? 5 ILE A CA 1 ATOM 34 C C . ILE A 1 5 ? 41.735 -36.583 -55.750 1.00 40.97 ? 5 ILE A C 1 ATOM 35 O O . ILE A 1 5 ? 41.774 -35.379 -55.996 1.00 41.68 ? 5 ILE A O 1 ATOM 36 C CB . ILE A 1 5 ? 43.814 -37.760 -56.629 1.00 39.89 ? 5 ILE A CB 1 ATOM 37 C CG1 . ILE A 1 5 ? 44.270 -39.033 -57.339 1.00 40.15 ? 5 ILE A CG1 1 ATOM 38 C CG2 . ILE A 1 5 ? 44.262 -37.827 -55.165 1.00 36.65 ? 5 ILE A CG2 1 ATOM 39 C CD1 . ILE A 1 5 ? 44.430 -38.870 -58.828 1.00 51.04 ? 5 ILE A CD1 1 ATOM 40 N N . GLY A 1 6 ? 41.201 -37.062 -54.635 1.00 33.86 ? 6 GLY A N 1 ATOM 41 C CA . GLY A 1 6 ? 40.636 -36.164 -53.650 1.00 34.01 ? 6 GLY A CA 1 ATOM 42 C C . GLY A 1 6 ? 40.489 -36.796 -52.282 1.00 36.39 ? 6 GLY A C 1 ATOM 43 O O . GLY A 1 6 ? 40.980 -37.901 -52.018 1.00 34.71 ? 6 GLY A O 1 ATOM 44 N N . TYR A 1 7 ? 39.795 -36.087 -51.405 1.00 31.88 ? 7 TYR A N 1 ATOM 45 C CA . TYR A 1 7 ? 39.718 -36.484 -50.010 1.00 32.67 ? 7 TYR A CA 1 ATOM 46 C C . TYR A 1 7 ? 38.318 -36.271 -49.426 1.00 34.56 ? 7 TYR A C 1 ATOM 47 O O . TYR A 1 7 ? 37.502 -35.508 -49.960 1.00 34.97 ? 7 TYR A O 1 ATOM 48 C CB . TYR A 1 7 ? 40.772 -35.724 -49.185 1.00 30.07 ? 7 TYR A CB 1 ATOM 49 C CG . TYR A 1 7 ? 40.830 -34.233 -49.444 1.00 29.17 ? 7 TYR A CG 1 ATOM 50 C CD1 . TYR A 1 7 ? 41.650 -33.713 -50.435 1.00 29.32 ? 7 TYR A CD1 1 ATOM 51 C CD2 . TYR A 1 7 ? 40.077 -33.345 -48.687 1.00 30.74 ? 7 TYR A CD2 1 ATOM 52 C CE1 . TYR A 1 7 ? 41.708 -32.349 -50.681 1.00 29.23 ? 7 TYR A CE1 1 ATOM 53 C CE2 . TYR A 1 7 ? 40.132 -31.983 -48.919 1.00 28.11 ? 7 TYR A CE2 1 ATOM 54 C CZ . TYR A 1 7 ? 40.947 -31.490 -49.919 1.00 30.24 ? 7 TYR A CZ 1 ATOM 55 O OH . TYR A 1 7 ? 41.002 -30.134 -50.162 1.00 31.27 ? 7 TYR A OH 1 ATOM 56 N N . HIS A 1 8 ? 38.059 -36.969 -48.326 1.00 37.84 ? 8 HIS A N 1 ATOM 57 C CA . HIS A 1 8 ? 36.777 -36.947 -47.628 1.00 38.58 ? 8 HIS A CA 1 ATOM 58 C C . HIS A 1 8 ? 36.398 -35.581 -47.063 1.00 41.10 ? 8 HIS A C 1 ATOM 59 O O . HIS A 1 8 ? 37.235 -34.881 -46.495 1.00 42.94 ? 8 HIS A O 1 ATOM 60 C CB . HIS A 1 8 ? 36.824 -37.970 -46.497 1.00 42.09 ? 8 HIS A CB 1 ATOM 61 C CG . HIS A 1 8 ? 35.535 -38.132 -45.757 1.00 50.63 ? 8 HIS A CG 1 ATOM 62 N ND1 . HIS A 1 8 ? 34.386 -38.605 -46.357 1.00 46.85 ? 8 HIS A ND1 1 ATOM 63 C CD2 . HIS A 1 8 ? 35.222 -37.922 -44.454 1.00 44.82 ? 8 HIS A CD2 1 ATOM 64 C CE1 . HIS A 1 8 ? 33.417 -38.659 -45.461 1.00 48.20 ? 8 HIS A CE1 1 ATOM 65 N NE2 . HIS A 1 8 ? 33.898 -38.253 -44.298 1.00 46.04 ? 8 HIS A NE2 1 ATOM 66 N N . ALA A 1 9 ? 35.134 -35.203 -47.238 1.00 40.39 ? 9 ALA A N 1 ATOM 67 C CA . ALA A 1 9 ? 34.534 -34.086 -46.499 1.00 36.81 ? 9 ALA A CA 1 ATOM 68 C C . ALA A 1 9 ? 33.199 -34.557 -45.919 1.00 37.30 ? 9 ALA A C 1 ATOM 69 O O . ALA A 1 9 ? 32.627 -35.532 -46.403 1.00 42.48 ? 9 ALA A O 1 ATOM 70 C CB . ALA A 1 9 ? 34.351 -32.873 -47.388 1.00 34.32 ? 9 ALA A CB 1 ATOM 71 N N . ASN A 1 10 ? 32.716 -33.909 -44.865 1.00 38.31 ? 10 ASN A N 1 ATOM 72 C CA . ASN A 1 10 ? 31.441 -34.308 -44.270 1.00 36.94 ? 10 ASN A CA 1 ATOM 73 C C . ASN A 1 10 ? 30.771 -33.121 -43.600 1.00 39.29 ? 10 ASN A C 1 ATOM 74 O O . ASN A 1 10 ? 31.168 -31.983 -43.844 1.00 41.64 ? 10 ASN A O 1 ATOM 75 C CB . ASN A 1 10 ? 31.616 -35.475 -43.279 1.00 32.46 ? 10 ASN A CB 1 ATOM 76 C CG . ASN A 1 10 ? 32.517 -35.133 -42.086 1.00 41.89 ? 10 ASN A CG 1 ATOM 77 O OD1 . ASN A 1 10 ? 32.768 -33.965 -41.780 1.00 40.65 ? 10 ASN A OD1 1 ATOM 78 N ND2 . ASN A 1 10 ? 32.982 -36.167 -41.393 1.00 33.10 ? 10 ASN A ND2 1 ATOM 79 N N . ASN A 1 11 ? 29.758 -33.374 -42.770 1.00 41.55 ? 11 ASN A N 1 ATOM 80 C CA . ASN A 1 11 ? 28.978 -32.275 -42.193 1.00 50.92 ? 11 ASN A CA 1 ATOM 81 C C . ASN A 1 11 ? 29.432 -31.895 -40.777 1.00 50.28 ? 11 ASN A C 1 ATOM 82 O O . ASN A 1 11 ? 28.718 -31.206 -40.052 1.00 53.33 ? 11 ASN A O 1 ATOM 83 C CB . ASN A 1 11 ? 27.469 -32.611 -42.201 1.00 47.33 ? 11 ASN A CB 1 ATOM 84 C CG . ASN A 1 11 ? 27.108 -33.834 -41.346 1.00 60.19 ? 11 ASN A CG 1 ATOM 85 O OD1 . ASN A 1 11 ? 27.921 -34.353 -40.572 1.00 58.44 ? 11 ASN A OD1 1 ATOM 86 N ND2 . ASN A 1 11 ? 25.862 -34.289 -41.478 1.00 68.22 ? 11 ASN A ND2 1 ATOM 87 N N . SER A 1 12 ? 30.626 -32.343 -40.402 1.00 51.21 ? 12 SER A N 1 ATOM 88 C CA . SER A 1 12 ? 31.190 -32.075 -39.080 1.00 51.25 ? 12 SER A CA 1 ATOM 89 C C . SER A 1 12 ? 31.443 -30.589 -38.830 1.00 47.59 ? 12 SER A C 1 ATOM 90 O O . SER A 1 12 ? 31.907 -29.874 -39.719 1.00 45.72 ? 12 SER A O 1 ATOM 91 C CB . SER A 1 12 ? 32.492 -32.858 -38.909 1.00 50.66 ? 12 SER A CB 1 ATOM 92 O OG . SER A 1 12 ? 33.163 -32.489 -37.727 1.00 50.29 ? 12 SER A OG 1 ATOM 93 N N . THR A 1 13 ? 31.116 -30.130 -37.622 1.00 44.88 ? 13 THR A N 1 ATOM 94 C CA . THR A 1 13 ? 31.416 -28.756 -37.208 1.00 47.00 ? 13 THR A CA 1 ATOM 95 C C . THR A 1 13 ? 32.350 -28.775 -36.008 1.00 46.36 ? 13 THR A C 1 ATOM 96 O O . THR A 1 13 ? 32.666 -27.738 -35.432 1.00 50.08 ? 13 THR A O 1 ATOM 97 C CB . THR A 1 13 ? 30.143 -27.946 -36.841 1.00 50.39 ? 13 THR A CB 1 ATOM 98 O OG1 . THR A 1 13 ? 29.377 -28.662 -35.861 1.00 50.01 ? 13 THR A OG1 1 ATOM 99 C CG2 . THR A 1 13 ? 29.287 -27.680 -38.077 1.00 47.18 ? 13 THR A CG2 1 ATOM 100 N N . THR A 1 14 ? 32.779 -29.973 -35.635 1.00 46.06 ? 14 THR A N 1 ATOM 101 C CA . THR A 1 14 ? 33.670 -30.157 -34.505 1.00 43.65 ? 14 THR A CA 1 ATOM 102 C C . THR A 1 14 ? 35.079 -29.664 -34.828 1.00 43.80 ? 14 THR A C 1 ATOM 103 O O . THR A 1 14 ? 35.618 -29.979 -35.888 1.00 46.22 ? 14 THR A O 1 ATOM 104 C CB . THR A 1 14 ? 33.727 -31.622 -34.111 1.00 45.91 ? 14 THR A CB 1 ATOM 105 O OG1 . THR A 1 14 ? 32.403 -32.074 -33.804 1.00 50.10 ? 14 THR A OG1 1 ATOM 106 C CG2 . THR A 1 14 ? 34.631 -31.810 -32.917 1.00 40.49 ? 14 THR A CG2 1 ATOM 107 N N . GLN A 1 15 ? 35.676 -28.903 -33.915 1.00 38.71 ? 15 GLN A N 1 ATOM 108 C CA . GLN A 1 15 ? 36.960 -28.268 -34.185 1.00 36.87 ? 15 GLN A CA 1 ATOM 109 C C . GLN A 1 15 ? 38.067 -28.703 -33.236 1.00 35.84 ? 15 GLN A C 1 ATOM 110 O O . GLN A 1 15 ? 37.809 -29.233 -32.153 1.00 32.49 ? 15 GLN A O 1 ATOM 111 C CB . GLN A 1 15 ? 36.815 -26.752 -34.131 1.00 34.08 ? 15 GLN A CB 1 ATOM 112 C CG . GLN A 1 15 ? 35.619 -26.239 -34.922 1.00 41.46 ? 15 GLN A CG 1 ATOM 113 C CD . GLN A 1 15 ? 35.532 -24.728 -34.943 1.00 49.33 ? 15 GLN A CD 1 ATOM 114 O OE1 . GLN A 1 15 ? 35.641 -24.075 -33.908 1.00 54.60 ? 15 GLN A OE1 1 ATOM 115 N NE2 . GLN A 1 15 ? 35.352 -24.162 -36.130 1.00 50.07 ? 15 GLN A NE2 1 ATOM 116 N N . VAL A 1 16 ? 39.307 -28.498 -33.673 1.00 36.06 ? 16 VAL A N 1 ATOM 117 C CA . VAL A 1 16 ? 40.484 -28.755 -32.852 1.00 30.31 ? 16 VAL A CA 1 ATOM 118 C C . VAL A 1 16 ? 41.431 -27.571 -32.971 1.00 32.49 ? 16 VAL A C 1 ATOM 119 O O . VAL A 1 16 ? 41.298 -26.740 -33.878 1.00 32.93 ? 16 VAL A O 1 ATOM 120 C CB . VAL A 1 16 ? 41.241 -30.045 -33.269 1.00 28.72 ? 16 VAL A CB 1 ATOM 121 C CG1 . VAL A 1 16 ? 40.351 -31.254 -33.183 1.00 26.44 ? 16 VAL A CG1 1 ATOM 122 C CG2 . VAL A 1 16 ? 41.835 -29.901 -34.672 1.00 27.10 ? 16 VAL A CG2 1 ATOM 123 N N . ASP A 1 17 ? 42.389 -27.499 -32.054 1.00 30.84 ? 17 ASP A N 1 ATOM 124 C CA . ASP A 1 17 ? 43.434 -26.492 -32.115 1.00 32.05 ? 17 ASP A CA 1 ATOM 125 C C . ASP A 1 17 ? 44.774 -27.150 -32.445 1.00 32.51 ? 17 ASP A C 1 ATOM 126 O O . ASP A 1 17 ? 45.033 -28.290 -32.050 1.00 32.30 ? 17 ASP A O 1 ATOM 127 C CB . ASP A 1 17 ? 43.528 -25.730 -30.791 1.00 30.15 ? 17 ASP A CB 1 ATOM 128 C CG . ASP A 1 17 ? 42.355 -24.801 -30.561 1.00 38.27 ? 17 ASP A CG 1 ATOM 129 O OD1 . ASP A 1 17 ? 41.677 -24.433 -31.542 1.00 49.48 ? 17 ASP A OD1 1 ATOM 130 O OD2 . ASP A 1 17 ? 42.111 -24.422 -29.396 1.00 45.10 ? 17 ASP A OD2 1 ATOM 131 N N . THR A 1 18 ? 45.614 -26.437 -33.186 1.00 34.28 ? 18 THR A N 1 ATOM 132 C CA . THR A 1 18 ? 46.976 -26.886 -33.449 1.00 35.49 ? 18 THR A CA 1 ATOM 133 C C . THR A 1 18 ? 47.943 -25.787 -33.006 1.00 40.29 ? 18 THR A C 1 ATOM 134 O O . THR A 1 18 ? 47.514 -24.701 -32.601 1.00 39.12 ? 18 THR A O 1 ATOM 135 C CB . THR A 1 18 ? 47.204 -27.230 -34.949 1.00 37.42 ? 18 THR A CB 1 ATOM 136 O OG1 . THR A 1 18 ? 47.530 -26.044 -35.684 1.00 41.71 ? 18 THR A OG1 1 ATOM 137 C CG2 . THR A 1 18 ? 45.961 -27.870 -35.550 1.00 34.66 ? 18 THR A CG2 1 ATOM 138 N N . LEU A 1 19 ? 49.242 -26.067 -33.072 1.00 41.15 ? 19 LEU A N 1 ATOM 139 C CA . LEU A 1 19 ? 50.240 -25.057 -32.737 1.00 39.02 ? 19 LEU A CA 1 ATOM 140 C C . LEU A 1 19 ? 50.179 -23.871 -33.704 1.00 38.88 ? 19 LEU A C 1 ATOM 141 O O . LEU A 1 19 ? 50.402 -22.741 -33.303 1.00 42.59 ? 19 LEU A O 1 ATOM 142 C CB . LEU A 1 19 ? 51.646 -25.658 -32.735 1.00 34.64 ? 19 LEU A CB 1 ATOM 143 C CG . LEU A 1 19 ? 52.161 -26.354 -31.476 1.00 37.69 ? 19 LEU A CG 1 ATOM 144 C CD1 . LEU A 1 19 ? 53.532 -26.941 -31.736 1.00 42.67 ? 19 LEU A CD1 1 ATOM 145 C CD2 . LEU A 1 19 ? 52.214 -25.402 -30.278 1.00 35.98 ? 19 LEU A CD2 1 ATOM 146 N N . LEU A 1 20 ? 49.864 -24.134 -34.969 1.00 38.50 ? 20 LEU A N 1 ATOM 147 C CA . LEU A 1 20 ? 49.845 -23.086 -35.994 1.00 41.33 ? 20 LEU A CA 1 ATOM 148 C C . LEU A 1 20 ? 48.492 -22.406 -36.178 1.00 41.98 ? 20 LEU A C 1 ATOM 149 O O . LEU A 1 20 ? 48.419 -21.334 -36.765 1.00 41.63 ? 20 LEU A O 1 ATOM 150 C CB . LEU A 1 20 ? 50.279 -23.653 -37.344 1.00 35.28 ? 20 LEU A CB 1 ATOM 151 C CG . LEU A 1 20 ? 51.673 -24.264 -37.463 1.00 40.60 ? 20 LEU A CG 1 ATOM 152 C CD1 . LEU A 1 20 ? 51.892 -24.760 -38.875 1.00 32.42 ? 20 LEU A CD1 1 ATOM 153 C CD2 . LEU A 1 20 ? 52.737 -23.265 -37.069 1.00 37.21 ? 20 LEU A CD2 1 ATOM 154 N N . GLU A 1 21 ? 47.424 -23.020 -35.682 1.00 44.19 ? 21 GLU A N 1 ATOM 155 C CA . GLU A 1 21 ? 46.080 -22.605 -36.070 1.00 41.58 ? 21 GLU A CA 1 ATOM 156 C C . GLU A 1 21 ? 45.023 -22.994 -35.040 1.00 41.00 ? 21 GLU A C 1 ATOM 157 O O . GLU A 1 21 ? 44.982 -24.132 -34.584 1.00 39.96 ? 21 GLU A O 1 ATOM 158 C CB . GLU A 1 21 ? 45.741 -23.224 -37.427 1.00 41.98 ? 21 GLU A CB 1 ATOM 159 C CG . GLU A 1 21 ? 44.680 -22.513 -38.224 1.00 50.48 ? 21 GLU A CG 1 ATOM 160 C CD . GLU A 1 21 ? 44.576 -23.040 -39.656 1.00 59.94 ? 21 GLU A CD 1 ATOM 161 O OE1 . GLU A 1 21 ? 43.640 -22.618 -40.371 1.00 62.75 ? 21 GLU A OE1 1 ATOM 162 O OE2 . GLU A 1 21 ? 45.431 -23.868 -40.065 1.00 57.60 ? 21 GLU A OE2 1 ATOM 163 N N . LYS A 1 22 ? 44.168 -22.048 -34.675 1.00 42.31 ? 22 LYS A N 1 ATOM 164 C CA . LYS A 1 22 ? 43.060 -22.332 -33.769 1.00 39.57 ? 22 LYS A CA 1 ATOM 165 C C . LYS A 1 22 ? 41.784 -22.611 -34.546 1.00 36.70 ? 22 LYS A C 1 ATOM 166 O O . LYS A 1 22 ? 41.636 -22.169 -35.675 1.00 38.33 ? 22 LYS A O 1 ATOM 167 C CB . LYS A 1 22 ? 42.831 -21.163 -32.805 1.00 39.08 ? 22 LYS A CB 1 ATOM 168 C CG . LYS A 1 22 ? 43.868 -21.046 -31.708 1.00 44.28 ? 22 LYS A CG 1 ATOM 169 C CD . LYS A 1 22 ? 43.555 -19.875 -30.786 1.00 52.73 ? 22 LYS A CD 1 ATOM 170 C CE . LYS A 1 22 ? 44.628 -19.720 -29.720 1.00 62.34 ? 22 LYS A CE 1 ATOM 171 N NZ . LYS A 1 22 ? 44.239 -18.730 -28.675 1.00 74.31 ? 22 LYS A NZ 1 ATOM 172 N N . ASN A 1 23 ? 40.868 -23.355 -33.939 1.00 46.21 ? 23 ASN A N 1 ATOM 173 C CA . ASN A 1 23 ? 39.520 -23.479 -34.476 1.00 47.08 ? 23 ASN A CA 1 ATOM 174 C C . ASN A 1 23 ? 39.491 -24.058 -35.903 1.00 45.83 ? 23 ASN A C 1 ATOM 175 O O . ASN A 1 23 ? 38.959 -23.446 -36.818 1.00 39.21 ? 23 ASN A O 1 ATOM 176 C CB . ASN A 1 23 ? 38.831 -22.107 -34.433 1.00 51.00 ? 23 ASN A CB 1 ATOM 177 C CG . ASN A 1 23 ? 38.177 -21.815 -33.087 1.00 60.91 ? 23 ASN A CG 1 ATOM 178 O OD1 . ASN A 1 23 ? 37.963 -22.720 -32.279 1.00 65.75 ? 23 ASN A OD1 1 ATOM 179 N ND2 . ASN A 1 23 ? 37.849 -20.544 -32.847 1.00 63.35 ? 23 ASN A ND2 1 ATOM 180 N N . VAL A 1 24 ? 40.071 -25.245 -36.064 1.00 40.56 ? 24 VAL A N 1 ATOM 181 C CA . VAL A 1 24 ? 40.112 -25.955 -37.337 1.00 36.12 ? 24 VAL A CA 1 ATOM 182 C C . VAL A 1 24 ? 39.087 -27.085 -37.342 1.00 38.95 ? 24 VAL A C 1 ATOM 183 O O . VAL A 1 24 ? 39.175 -28.022 -36.544 1.00 37.48 ? 24 VAL A O 1 ATOM 184 C CB . VAL A 1 24 ? 41.516 -26.545 -37.602 1.00 38.22 ? 24 VAL A CB 1 ATOM 185 C CG1 . VAL A 1 24 ? 41.566 -27.273 -38.929 1.00 31.35 ? 24 VAL A CG1 1 ATOM 186 C CG2 . VAL A 1 24 ? 42.573 -25.454 -37.537 1.00 42.54 ? 24 VAL A CG2 1 ATOM 187 N N . THR A 1 25 ? 38.110 -26.998 -38.237 1.00 36.49 ? 25 THR A N 1 ATOM 188 C CA . THR A 1 25 ? 37.092 -28.038 -38.359 1.00 33.97 ? 25 THR A CA 1 ATOM 189 C C . THR A 1 25 ? 37.714 -29.301 -38.962 1.00 35.22 ? 25 THR A C 1 ATOM 190 O O . THR A 1 25 ? 38.427 -29.228 -39.972 1.00 31.90 ? 25 THR A O 1 ATOM 191 C CB . THR A 1 25 ? 35.912 -27.556 -39.240 1.00 36.26 ? 25 THR A CB 1 ATOM 192 O OG1 . THR A 1 25 ? 35.437 -26.299 -38.749 1.00 38.87 ? 25 THR A OG1 1 ATOM 193 C CG2 . THR A 1 25 ? 34.772 -28.560 -39.243 1.00 31.99 ? 25 THR A CG2 1 ATOM 194 N N . VAL A 1 26 ? 37.459 -30.448 -38.339 1.00 31.16 ? 26 VAL A N 1 ATOM 195 C CA . VAL A 1 26 ? 37.993 -31.707 -38.833 1.00 32.64 ? 26 VAL A CA 1 ATOM 196 C C . VAL A 1 26 ? 36.893 -32.743 -38.989 1.00 39.71 ? 26 VAL A C 1 ATOM 197 O O . VAL A 1 26 ? 35.880 -32.702 -38.291 1.00 38.63 ? 26 VAL A O 1 ATOM 198 C CB . VAL A 1 26 ? 39.107 -32.284 -37.914 1.00 34.00 ? 26 VAL A CB 1 ATOM 199 C CG1 . VAL A 1 26 ? 40.334 -31.369 -37.912 1.00 29.83 ? 26 VAL A CG1 1 ATOM 200 C CG2 . VAL A 1 26 ? 38.590 -32.545 -36.510 1.00 30.47 ? 26 VAL A CG2 1 ATOM 201 N N . THR A 1 27 ? 37.110 -33.676 -39.915 1.00 35.96 ? 27 THR A N 1 ATOM 202 C CA . THR A 1 27 ? 36.102 -34.659 -40.269 1.00 36.07 ? 27 THR A CA 1 ATOM 203 C C . THR A 1 27 ? 35.842 -35.640 -39.136 1.00 41.01 ? 27 THR A C 1 ATOM 204 O O . THR A 1 27 ? 34.710 -36.071 -38.927 1.00 44.64 ? 27 THR A O 1 ATOM 205 C CB . THR A 1 27 ? 36.510 -35.445 -41.526 1.00 37.64 ? 27 THR A CB 1 ATOM 206 O OG1 . THR A 1 27 ? 37.709 -36.187 -41.260 1.00 32.12 ? 27 THR A OG1 1 ATOM 207 C CG2 . THR A 1 27 ? 36.717 -34.497 -42.713 1.00 32.59 ? 27 THR A CG2 1 ATOM 208 N N . HIS A 1 28 ? 36.902 -36.009 -38.426 1.00 40.24 ? 28 HIS A N 1 ATOM 209 C CA . HIS A 1 28 ? 36.802 -36.915 -37.290 1.00 34.94 ? 28 HIS A CA 1 ATOM 210 C C . HIS A 1 28 ? 37.770 -36.492 -36.204 1.00 39.55 ? 28 HIS A C 1 ATOM 211 O O . HIS A 1 28 ? 38.867 -36.021 -36.489 1.00 38.04 ? 28 HIS A O 1 ATOM 212 C CB . HIS A 1 28 ? 37.088 -38.359 -37.700 1.00 30.52 ? 28 HIS A CB 1 ATOM 213 C CG . HIS A 1 28 ? 36.251 -38.838 -38.843 1.00 42.31 ? 28 HIS A CG 1 ATOM 214 N ND1 . HIS A 1 28 ? 36.564 -38.573 -40.161 1.00 39.66 ? 28 HIS A ND1 1 ATOM 215 C CD2 . HIS A 1 28 ? 35.102 -39.554 -38.864 1.00 32.36 ? 28 HIS A CD2 1 ATOM 216 C CE1 . HIS A 1 28 ? 35.650 -39.116 -40.943 1.00 40.45 ? 28 HIS A CE1 1 ATOM 217 N NE2 . HIS A 1 28 ? 34.751 -39.714 -40.180 1.00 43.66 ? 28 HIS A NE2 1 ATOM 218 N N . SER A 1 29 ? 37.354 -36.676 -34.959 1.00 40.68 ? 29 SER A N 1 ATOM 219 C CA . SER A 1 29 ? 38.172 -36.357 -33.807 1.00 34.37 ? 29 SER A CA 1 ATOM 220 C C . SER A 1 29 ? 37.692 -37.132 -32.588 1.00 38.52 ? 29 SER A C 1 ATOM 221 O O . SER A 1 29 ? 36.606 -37.695 -32.586 1.00 40.27 ? 29 SER A O 1 ATOM 222 C CB . SER A 1 29 ? 38.146 -34.861 -33.539 1.00 33.60 ? 29 SER A CB 1 ATOM 223 O OG . SER A 1 29 ? 36.824 -34.415 -33.319 1.00 41.63 ? 29 SER A OG 1 ATOM 224 N N . VAL A 1 30 ? 38.523 -37.188 -31.558 1.00 45.10 ? 30 VAL A N 1 ATOM 225 C CA . VAL A 1 30 ? 38.130 -37.829 -30.315 1.00 42.57 ? 30 VAL A CA 1 ATOM 226 C C . VAL A 1 30 ? 38.431 -36.881 -29.159 1.00 40.93 ? 30 VAL A C 1 ATOM 227 O O . VAL A 1 30 ? 39.476 -36.225 -29.144 1.00 42.03 ? 30 VAL A O 1 ATOM 228 C CB . VAL A 1 30 ? 38.849 -39.187 -30.133 1.00 44.43 ? 30 VAL A CB 1 ATOM 229 C CG1 . VAL A 1 30 ? 40.354 -39.021 -30.204 1.00 42.49 ? 30 VAL A CG1 1 ATOM 230 C CG2 . VAL A 1 30 ? 38.433 -39.846 -28.830 1.00 44.95 ? 30 VAL A CG2 1 ATOM 231 N N . GLU A 1 31 ? 37.486 -36.769 -28.226 1.00 41.81 ? 31 GLU A N 1 ATOM 232 C CA . GLU A 1 31 ? 37.665 -35.979 -27.004 1.00 38.46 ? 31 GLU A CA 1 ATOM 233 C C . GLU A 1 31 ? 38.237 -36.866 -25.916 1.00 38.09 ? 31 GLU A C 1 ATOM 234 O O . GLU A 1 31 ? 37.716 -37.956 -25.669 1.00 40.11 ? 31 GLU A O 1 ATOM 235 C CB . GLU A 1 31 ? 36.338 -35.360 -26.549 1.00 40.77 ? 31 GLU A CB 1 ATOM 236 C CG . GLU A 1 31 ? 36.354 -34.785 -25.119 1.00 42.50 ? 31 GLU A CG 1 ATOM 237 C CD . GLU A 1 31 ? 37.273 -33.583 -24.967 1.00 45.74 ? 31 GLU A CD 1 ATOM 238 O OE1 . GLU A 1 31 ? 38.361 -33.737 -24.376 1.00 47.24 ? 31 GLU A OE1 1 ATOM 239 O OE2 . GLU A 1 31 ? 36.915 -32.480 -25.437 1.00 44.77 ? 31 GLU A OE2 1 ATOM 240 N N . LEU A 1 32 ? 39.305 -36.406 -25.267 1.00 39.08 ? 32 LEU A N 1 ATOM 241 C CA . LEU A 1 32 ? 40.035 -37.242 -24.308 1.00 38.91 ? 32 LEU A CA 1 ATOM 242 C C . LEU A 1 32 ? 39.759 -36.885 -22.847 1.00 39.86 ? 32 LEU A C 1 ATOM 243 O O . LEU A 1 32 ? 40.135 -37.636 -21.938 1.00 39.27 ? 32 LEU A O 1 ATOM 244 C CB . LEU A 1 32 ? 41.540 -37.151 -24.560 1.00 37.63 ? 32 LEU A CB 1 ATOM 245 C CG . LEU A 1 32 ? 42.161 -37.527 -25.905 1.00 36.04 ? 32 LEU A CG 1 ATOM 246 C CD1 . LEU A 1 32 ? 43.651 -37.207 -25.851 1.00 34.17 ? 32 LEU A CD1 1 ATOM 247 C CD2 . LEU A 1 32 ? 41.934 -38.994 -26.244 1.00 29.74 ? 32 LEU A CD2 1 ATOM 248 N N . LEU A 1 33 ? 39.114 -35.740 -22.626 1.00 41.93 ? 33 LEU A N 1 ATOM 249 C CA . LEU A 1 33 ? 38.857 -35.242 -21.274 1.00 45.26 ? 33 LEU A CA 1 ATOM 250 C C . LEU A 1 33 ? 37.388 -35.334 -20.855 1.00 46.06 ? 33 LEU A C 1 ATOM 251 O O . LEU A 1 33 ? 36.496 -34.956 -21.618 1.00 51.20 ? 33 LEU A O 1 ATOM 252 C CB . LEU A 1 33 ? 39.324 -33.785 -21.158 1.00 46.38 ? 33 LEU A CB 1 ATOM 253 C CG . LEU A 1 33 ? 39.198 -33.101 -19.791 1.00 43.72 ? 33 LEU A CG 1 ATOM 254 C CD1 . LEU A 1 33 ? 40.391 -32.214 -19.583 1.00 41.85 ? 33 LEU A CD1 1 ATOM 255 C CD2 . LEU A 1 33 ? 37.910 -32.289 -19.661 1.00 41.75 ? 33 LEU A CD2 1 ATOM 256 N N . GLU A 1 34 ? 37.153 -35.814 -19.630 1.00 46.66 ? 34 GLU A N 1 ATOM 257 C CA . GLU A 1 34 ? 35.817 -35.814 -19.021 1.00 43.95 ? 34 GLU A CA 1 ATOM 258 C C . GLU A 1 34 ? 35.572 -34.640 -18.081 1.00 41.50 ? 34 GLU A C 1 ATOM 259 O O . GLU A 1 34 ? 36.367 -34.383 -17.187 1.00 43.49 ? 34 GLU A O 1 ATOM 260 C CB . GLU A 1 34 ? 35.565 -37.094 -18.231 1.00 47.82 ? 34 GLU A CB 1 ATOM 261 C CG . GLU A 1 34 ? 34.131 -37.175 -17.713 1.00 52.67 ? 34 GLU A CG 1 ATOM 262 C CD . GLU A 1 34 ? 33.103 -36.957 -18.825 1.00 57.67 ? 34 GLU A CD 1 ATOM 263 O OE1 . GLU A 1 34 ? 32.762 -37.928 -19.527 1.00 57.64 ? 34 GLU A OE1 1 ATOM 264 O OE2 . GLU A 1 34 ? 32.633 -35.810 -19.013 1.00 56.84 ? 34 GLU A OE2 1 ATOM 265 N N . ASN A 1 35 ? 34.453 -33.948 -18.262 1.00 44.74 ? 35 ASN A N 1 ATOM 266 C CA . ASN A 1 35 ? 34.079 -32.858 -17.363 1.00 45.64 ? 35 ASN A CA 1 ATOM 267 C C . ASN A 1 35 ? 32.723 -33.069 -16.677 1.00 47.08 ? 35 ASN A C 1 ATOM 268 O O . ASN A 1 35 ? 32.179 -32.144 -16.082 1.00 50.89 ? 35 ASN A O 1 ATOM 269 C CB . ASN A 1 35 ? 34.079 -31.523 -18.116 1.00 37.70 ? 35 ASN A CB 1 ATOM 270 C CG . ASN A 1 35 ? 33.110 -31.499 -19.295 1.00 46.44 ? 35 ASN A CG 1 ATOM 271 O OD1 . ASN A 1 35 ? 32.426 -32.485 -19.593 1.00 43.31 ? 35 ASN A OD1 1 ATOM 272 N ND2 . ASN A 1 35 ? 33.053 -30.360 -19.975 1.00 40.98 ? 35 ASN A ND2 1 ATOM 273 N N . GLN A 1 36 ? 32.206 -34.292 -16.744 1.00 52.03 ? 36 GLN A N 1 ATOM 274 C CA . GLN A 1 36 ? 30.875 -34.628 -16.233 1.00 56.45 ? 36 GLN A CA 1 ATOM 275 C C . GLN A 1 36 ? 30.921 -35.531 -14.994 1.00 53.32 ? 36 GLN A C 1 ATOM 276 O O . GLN A 1 36 ? 31.611 -36.547 -14.993 1.00 53.08 ? 36 GLN A O 1 ATOM 277 C CB . GLN A 1 36 ? 30.059 -35.321 -17.330 1.00 57.76 ? 36 GLN A CB 1 ATOM 278 C CG . GLN A 1 36 ? 28.646 -34.814 -17.483 1.00 68.03 ? 36 GLN A CG 1 ATOM 279 C CD . GLN A 1 36 ? 28.614 -33.398 -17.995 1.00 69.54 ? 36 GLN A CD 1 ATOM 280 O OE1 . GLN A 1 36 ? 29.529 -32.965 -18.692 1.00 68.71 ? 36 GLN A OE1 1 ATOM 281 N NE2 . GLN A 1 36 ? 27.566 -32.658 -17.640 1.00 78.86 ? 36 GLN A NE2 1 ATOM 282 N N . LYS A 1 37 ? 30.156 -35.166 -13.966 1.00 55.09 ? 37 LYS A N 1 ATOM 283 C CA . LYS A 1 37 ? 30.068 -35.905 -12.693 1.00 56.20 ? 37 LYS A CA 1 ATOM 284 C C . LYS A 1 37 ? 28.617 -36.232 -12.335 1.00 51.86 ? 37 LYS A C 1 ATOM 285 O O . LYS A 1 37 ? 27.706 -35.480 -12.676 1.00 52.88 ? 37 LYS A O 1 ATOM 286 C CB . LYS A 1 37 ? 30.684 -35.080 -11.546 1.00 46.70 ? 37 LYS A CB 1 ATOM 287 C CG . LYS A 1 37 ? 30.724 -33.605 -11.887 1.00 53.89 ? 37 LYS A CG 1 ATOM 288 C CD . LYS A 1 37 ? 30.769 -32.676 -10.704 1.00 50.40 ? 37 LYS A CD 1 ATOM 289 C CE . LYS A 1 37 ? 30.702 -31.238 -11.220 1.00 54.76 ? 37 LYS A CE 1 ATOM 290 N NZ . LYS A 1 37 ? 30.736 -30.205 -10.153 1.00 69.33 ? 37 LYS A NZ 1 ATOM 291 N N . GLU A 1 38 ? 28.406 -37.349 -11.644 1.00 55.06 ? 38 GLU A N 1 ATOM 292 C CA . GLU A 1 38 ? 27.166 -37.567 -10.890 1.00 52.43 ? 38 GLU A CA 1 ATOM 293 C C . GLU A 1 38 ? 27.409 -37.078 -9.464 1.00 57.08 ? 38 GLU A C 1 ATOM 294 O O . GLU A 1 38 ? 28.231 -37.648 -8.743 1.00 55.21 ? 38 GLU A O 1 ATOM 295 C CB . GLU A 1 38 ? 26.749 -39.044 -10.884 1.00 54.32 ? 38 GLU A CB 1 ATOM 296 C CG . GLU A 1 38 ? 26.588 -39.669 -12.267 1.00 57.62 ? 38 GLU A CG 1 ATOM 297 C CD . GLU A 1 38 ? 26.404 -41.184 -12.219 1.00 63.84 ? 38 GLU A CD 1 ATOM 298 O OE1 . GLU A 1 38 ? 26.357 -41.760 -11.109 1.00 62.48 ? 38 GLU A OE1 1 ATOM 299 O OE2 . GLU A 1 38 ? 26.318 -41.806 -13.300 1.00 71.27 ? 38 GLU A OE2 1 ATOM 300 N N . LYS A 1 39 ? 26.710 -36.020 -9.059 1.00 61.71 ? 39 LYS A N 1 ATOM 301 C CA . LYS A 1 39 ? 26.952 -35.397 -7.754 1.00 59.46 ? 39 LYS A CA 1 ATOM 302 C C . LYS A 1 39 ? 26.414 -36.221 -6.583 1.00 63.39 ? 39 LYS A C 1 ATOM 303 O O . LYS A 1 39 ? 25.448 -35.831 -5.921 1.00 64.96 ? 39 LYS A O 1 ATOM 304 C CB . LYS A 1 39 ? 26.347 -33.996 -7.724 1.00 57.85 ? 39 LYS A CB 1 ATOM 305 C CG . LYS A 1 39 ? 26.795 -33.146 -8.882 1.00 61.99 ? 39 LYS A CG 1 ATOM 306 C CD . LYS A 1 39 ? 27.040 -31.717 -8.467 1.00 66.86 ? 39 LYS A CD 1 ATOM 307 C CE . LYS A 1 39 ? 25.757 -30.922 -8.445 1.00 73.05 ? 39 LYS A CE 1 ATOM 308 N NZ . LYS A 1 39 ? 26.060 -29.466 -8.371 1.00 86.24 ? 39 LYS A NZ 1 ATOM 309 N N . ARG A 1 40 ? 27.065 -37.352 -6.325 1.00 59.73 ? 40 ARG A N 1 ATOM 310 C CA . ARG A 1 40 ? 26.655 -38.272 -5.277 1.00 57.51 ? 40 ARG A CA 1 ATOM 311 C C . ARG A 1 40 ? 27.775 -39.246 -4.945 1.00 56.47 ? 40 ARG A C 1 ATOM 312 O O . ARG A 1 40 ? 28.716 -39.410 -5.724 1.00 54.73 ? 40 ARG A O 1 ATOM 313 C CB . ARG A 1 40 ? 25.417 -39.049 -5.706 1.00 61.20 ? 40 ARG A CB 1 ATOM 314 C CG . ARG A 1 40 ? 25.679 -40.005 -6.854 1.00 59.34 ? 40 ARG A CG 1 ATOM 315 C CD . ARG A 1 40 ? 24.389 -40.595 -7.387 1.00 64.17 ? 40 ARG A CD 1 ATOM 316 N NE . ARG A 1 40 ? 24.630 -41.524 -8.483 1.00 74.40 ? 40 ARG A NE 1 ATOM 317 C CZ . ARG A 1 40 ? 23.780 -42.471 -8.868 1.00 76.60 ? 40 ARG A CZ 1 ATOM 318 N NH1 . ARG A 1 40 ? 22.624 -42.623 -8.236 1.00 81.57 ? 40 ARG A NH1 1 ATOM 319 N NH2 . ARG A 1 40 ? 24.094 -43.275 -9.877 1.00 69.96 ? 40 ARG A NH2 1 ATOM 320 N N . PHE A 1 41 ? 27.664 -39.900 -3.792 1.00 55.20 ? 41 PHE A N 1 ATOM 321 C CA . PHE A 1 41 ? 28.602 -40.953 -3.414 1.00 54.96 ? 41 PHE A CA 1 ATOM 322 C C . PHE A 1 41 ? 27.980 -42.325 -3.667 1.00 56.37 ? 41 PHE A C 1 ATOM 323 O O . PHE A 1 41 ? 26.791 -42.524 -3.429 1.00 63.92 ? 41 PHE A O 1 ATOM 324 C CB . PHE A 1 41 ? 29.019 -40.816 -1.947 1.00 49.01 ? 41 PHE A CB 1 ATOM 325 C CG . PHE A 1 41 ? 29.870 -39.613 -1.671 1.00 48.92 ? 41 PHE A CG 1 ATOM 326 C CD1 . PHE A 1 41 ? 31.120 -39.480 -2.262 1.00 47.96 ? 41 PHE A CD1 1 ATOM 327 C CD2 . PHE A 1 41 ? 29.430 -38.616 -0.815 1.00 46.93 ? 41 PHE A CD2 1 ATOM 328 C CE1 . PHE A 1 41 ? 31.916 -38.362 -2.011 1.00 45.28 ? 41 PHE A CE1 1 ATOM 329 C CE2 . PHE A 1 41 ? 30.223 -37.496 -0.557 1.00 48.39 ? 41 PHE A CE2 1 ATOM 330 C CZ . PHE A 1 41 ? 31.465 -37.371 -1.156 1.00 44.26 ? 41 PHE A CZ 1 ATOM 331 N N . CYS A 1 42 ? 28.788 -43.260 -4.153 1.00 47.38 ? 42 CYS A N 1 ATOM 332 C CA . CYS A 1 42 ? 28.328 -44.603 -4.469 1.00 48.89 ? 42 CYS A CA 1 ATOM 333 C C . CYS A 1 42 ? 29.238 -45.629 -3.808 1.00 52.55 ? 42 CYS A C 1 ATOM 334 O O . CYS A 1 42 ? 30.203 -45.263 -3.140 1.00 52.49 ? 42 CYS A O 1 ATOM 335 C CB . CYS A 1 42 ? 28.296 -44.818 -5.984 1.00 56.47 ? 42 CYS A CB 1 ATOM 336 S SG . CYS A 1 42 ? 27.137 -43.748 -6.886 1.00 68.35 ? 42 CYS A SG 1 ATOM 337 N N . LYS A 1 43 ? 28.935 -46.911 -3.991 1.00 58.66 ? 43 LYS A N 1 ATOM 338 C CA . LYS A 1 43 ? 29.783 -47.972 -3.455 1.00 61.94 ? 43 LYS A CA 1 ATOM 339 C C . LYS A 1 43 ? 31.010 -48.157 -4.343 1.00 64.69 ? 43 LYS A C 1 ATOM 340 O O . LYS A 1 43 ? 30.946 -47.949 -5.552 1.00 64.60 ? 43 LYS A O 1 ATOM 341 C CB . LYS A 1 43 ? 29.022 -49.303 -3.345 1.00 65.88 ? 43 LYS A CB 1 ATOM 342 C CG . LYS A 1 43 ? 27.613 -49.212 -2.767 1.00 70.38 ? 43 LYS A CG 1 ATOM 343 C CD . LYS A 1 43 ? 26.931 -50.578 -2.817 1.00 77.92 ? 43 LYS A CD 1 ATOM 344 C CE . LYS A 1 43 ? 25.414 -50.459 -2.759 1.00 85.32 ? 43 LYS A CE 1 ATOM 345 N NZ . LYS A 1 43 ? 24.739 -51.772 -3.004 1.00 90.74 ? 43 LYS A NZ 1 ATOM 346 N N . ILE A 1 44 ? 32.119 -48.562 -3.736 1.00 58.46 ? 44 ILE A N 1 ATOM 347 C CA . ILE A 1 44 ? 33.346 -48.842 -4.462 1.00 58.55 ? 44 ILE A CA 1 ATOM 348 C C . ILE A 1 44 ? 33.725 -50.299 -4.243 1.00 62.26 ? 44 ILE A C 1 ATOM 349 O O . ILE A 1 44 ? 33.868 -50.737 -3.104 1.00 62.56 ? 44 ILE A O 1 ATOM 350 C CB . ILE A 1 44 ? 34.502 -47.905 -4.006 1.00 59.45 ? 44 ILE A CB 1 ATOM 351 C CG1 . ILE A 1 44 ? 34.198 -46.456 -4.388 1.00 53.24 ? 44 ILE A CG1 1 ATOM 352 C CG2 . ILE A 1 44 ? 35.823 -48.315 -4.641 1.00 50.23 ? 44 ILE A CG2 1 ATOM 353 C CD1 . ILE A 1 44 ? 34.183 -46.232 -5.883 1.00 51.84 ? 44 ILE A CD1 1 ATOM 354 N N . MET A 1 45 ? 33.879 -51.046 -5.336 1.00 89.96 ? 45 MET A N 1 ATOM 355 C CA . MET A 1 45 ? 34.098 -52.498 -5.277 1.00 92.48 ? 45 MET A CA 1 ATOM 356 C C . MET A 1 45 ? 32.883 -53.140 -4.606 1.00 91.08 ? 45 MET A C 1 ATOM 357 O O . MET A 1 45 ? 32.990 -54.099 -3.838 1.00 91.14 ? 45 MET A O 1 ATOM 358 C CB . MET A 1 45 ? 35.411 -52.824 -4.558 1.00 94.75 ? 45 MET A CB 1 ATOM 359 C CG . MET A 1 45 ? 36.663 -52.211 -5.230 1.00 97.16 ? 45 MET A CG 1 ATOM 360 S SD . MET A 1 45 ? 37.489 -53.338 -6.380 1.00 117.61 ? 45 MET A SD 1 ATOM 361 C CE . MET A 1 45 ? 38.119 -54.572 -5.243 1.00 111.31 ? 45 MET A CE 1 ATOM 362 N N . ASN A 1 46 ? 31.718 -52.581 -4.937 1.00 99.25 ? 46 ASN A N 1 ATOM 363 C CA . ASN A 1 46 ? 30.439 -52.895 -4.275 1.00 102.84 ? 46 ASN A CA 1 ATOM 364 C C . ASN A 1 46 ? 30.540 -53.250 -2.786 1.00 100.38 ? 46 ASN A C 1 ATOM 365 O O . ASN A 1 46 ? 29.903 -54.156 -2.247 1.00 100.95 ? 46 ASN A O 1 ATOM 366 C CB . ASN A 1 46 ? 29.704 -53.920 -5.154 1.00 106.04 ? 46 ASN A CB 1 ATOM 367 C CG . ASN A 1 46 ? 28.592 -54.667 -4.445 1.00 118.74 ? 46 ASN A CG 1 ATOM 368 O OD1 . ASN A 1 46 ? 28.880 -55.653 -3.744 1.00 121.10 ? 46 ASN A OD1 1 ATOM 369 N ND2 . ASN A 1 46 ? 27.367 -54.084 -4.435 1.00 115.64 ? 46 ASN A ND2 1 ATOM 370 N N . LYS A 1 47 ? 31.359 -52.426 -2.129 1.00 76.13 ? 47 LYS A N 1 ATOM 371 C CA . LYS A 1 47 ? 31.370 -52.174 -0.680 1.00 66.87 ? 47 LYS A CA 1 ATOM 372 C C . LYS A 1 47 ? 31.006 -50.704 -0.399 1.00 67.76 ? 47 LYS A C 1 ATOM 373 O O . LYS A 1 47 ? 31.596 -49.786 -0.976 1.00 68.01 ? 47 LYS A O 1 ATOM 374 C CB . LYS A 1 47 ? 32.746 -52.467 -0.078 1.00 64.54 ? 47 LYS A CB 1 ATOM 375 C CG . LYS A 1 47 ? 32.809 -52.247 1.448 1.00 66.80 ? 47 LYS A CG 1 ATOM 376 C CD . LYS A 1 47 ? 34.228 -52.364 1.996 1.00 68.99 ? 47 LYS A CD 1 ATOM 377 C CE . LYS A 1 47 ? 34.870 -53.644 1.517 1.00 77.62 ? 47 LYS A CE 1 ATOM 378 N NZ . LYS A 1 47 ? 36.299 -53.721 1.913 1.00 83.70 ? 47 LYS A NZ 1 ATOM 379 N N . ALA A 1 48 ? 30.065 -50.487 0.514 1.00 63.39 ? 48 ALA A N 1 ATOM 380 C CA . ALA A 1 48 ? 29.494 -49.162 0.778 1.00 56.58 ? 48 ALA A CA 1 ATOM 381 C C . ALA A 1 48 ? 30.413 -48.241 1.583 1.00 49.96 ? 48 ALA A C 1 ATOM 382 O O . ALA A 1 48 ? 31.257 -48.713 2.350 1.00 50.99 ? 48 ALA A O 1 ATOM 383 C CB . ALA A 1 48 ? 28.149 -49.317 1.508 1.00 57.60 ? 48 ALA A CB 1 ATOM 384 N N . PRO A 1 49 ? 30.243 -46.917 1.414 1.00 41.06 ? 49 PRO A N 1 ATOM 385 C CA . PRO A 1 49 ? 30.971 -45.935 2.224 1.00 40.52 ? 49 PRO A CA 1 ATOM 386 C C . PRO A 1 49 ? 30.344 -45.750 3.604 1.00 47.52 ? 49 PRO A C 1 ATOM 387 O O . PRO A 1 49 ? 29.140 -45.955 3.745 1.00 44.29 ? 49 PRO A O 1 ATOM 388 C CB . PRO A 1 49 ? 30.846 -44.648 1.404 1.00 38.90 ? 49 PRO A CB 1 ATOM 389 C CG . PRO A 1 49 ? 29.544 -44.795 0.690 1.00 35.98 ? 49 PRO A CG 1 ATOM 390 C CD . PRO A 1 49 ? 29.417 -46.266 0.376 1.00 40.34 ? 49 PRO A CD 1 ATOM 391 N N . LEU A 1 50 ? 31.142 -45.348 4.592 1.00 48.34 ? 50 LEU A N 1 ATOM 392 C CA . LEU A 1 50 ? 30.640 -45.102 5.930 1.00 39.56 ? 50 LEU A CA 1 ATOM 393 C C . LEU A 1 50 ? 30.251 -43.644 6.111 1.00 47.57 ? 50 LEU A C 1 ATOM 394 O O . LEU A 1 50 ? 31.115 -42.781 6.212 1.00 48.25 ? 50 LEU A O 1 ATOM 395 C CB . LEU A 1 50 ? 31.681 -45.494 6.976 1.00 47.03 ? 50 LEU A CB 1 ATOM 396 C CG . LEU A 1 50 ? 31.263 -45.291 8.439 1.00 50.58 ? 50 LEU A CG 1 ATOM 397 C CD1 . LEU A 1 50 ? 30.056 -46.162 8.766 1.00 44.00 ? 50 LEU A CD1 1 ATOM 398 C CD2 . LEU A 1 50 ? 32.412 -45.582 9.397 1.00 42.49 ? 50 LEU A CD2 1 ATOM 399 N N . ASP A 1 51 ? 28.946 -43.378 6.152 1.00 54.33 ? 51 ASP A N 1 ATOM 400 C CA . ASP A 1 51 ? 28.419 -42.047 6.452 1.00 49.70 ? 51 ASP A CA 1 ATOM 401 C C . ASP A 1 51 ? 28.498 -41.794 7.960 1.00 55.99 ? 51 ASP A C 1 ATOM 402 O O . ASP A 1 51 ? 28.028 -42.607 8.751 1.00 61.07 ? 51 ASP A O 1 ATOM 403 C CB . ASP A 1 51 ? 26.974 -41.924 5.968 1.00 48.58 ? 51 ASP A CB 1 ATOM 404 C CG . ASP A 1 51 ? 26.481 -40.487 5.922 1.00 56.61 ? 51 ASP A CG 1 ATOM 405 O OD1 . ASP A 1 51 ? 27.142 -39.588 6.484 1.00 56.08 ? 51 ASP A OD1 1 ATOM 406 O OD2 . ASP A 1 51 ? 25.408 -40.258 5.321 1.00 61.21 ? 51 ASP A OD2 1 ATOM 407 N N . LEU A 1 52 ? 29.096 -40.678 8.359 1.00 50.11 ? 52 LEU A N 1 ATOM 408 C CA . LEU A 1 52 ? 29.242 -40.373 9.771 1.00 53.80 ? 52 LEU A CA 1 ATOM 409 C C . LEU A 1 52 ? 27.949 -39.726 10.256 1.00 58.25 ? 52 LEU A C 1 ATOM 410 O O . LEU A 1 52 ? 27.609 -39.806 11.443 1.00 55.70 ? 52 LEU A O 1 ATOM 411 C CB . LEU A 1 52 ? 30.574 -39.673 10.049 1.00 53.77 ? 52 LEU A CB 1 ATOM 412 C CG . LEU A 1 52 ? 31.854 -40.483 9.888 1.00 49.80 ? 52 LEU A CG 1 ATOM 413 C CD1 . LEU A 1 52 ? 33.063 -39.656 10.296 1.00 51.55 ? 52 LEU A CD1 1 ATOM 414 C CD2 . LEU A 1 52 ? 31.779 -41.751 10.704 1.00 50.02 ? 52 LEU A CD2 1 ATOM 415 N N . LYS A 1 53 ? 27.242 -39.088 9.328 1.00 55.45 ? 53 LYS A N 1 ATOM 416 C CA . LYS A 1 53 ? 26.063 -38.277 9.626 1.00 57.87 ? 53 LYS A CA 1 ATOM 417 C C . LYS A 1 53 ? 26.558 -37.221 10.604 1.00 59.44 ? 53 LYS A C 1 ATOM 418 O O . LYS A 1 53 ? 27.523 -36.511 10.326 1.00 63.14 ? 53 LYS A O 1 ATOM 419 C CB . LYS A 1 53 ? 24.976 -39.141 10.269 1.00 58.16 ? 53 LYS A CB 1 ATOM 420 C CG . LYS A 1 53 ? 24.062 -39.816 9.251 1.00 62.42 ? 53 LYS A CG 1 ATOM 421 C CD . LYS A 1 53 ? 24.050 -41.330 9.407 1.00 64.96 ? 53 LYS A CD 1 ATOM 422 C CE . LYS A 1 53 ? 23.160 -41.978 8.348 1.00 65.51 ? 53 LYS A CE 1 ATOM 423 N NZ . LYS A 1 53 ? 23.125 -43.470 8.459 1.00 73.96 ? 53 LYS A NZ 1 ATOM 424 N N . ASP A 1 54 ? 25.900 -37.120 11.751 1.00 54.09 ? 54 ASP A N 1 ATOM 425 C CA . ASP A 1 54 ? 26.007 -35.964 12.631 1.00 54.42 ? 54 ASP A CA 1 ATOM 426 C C . ASP A 1 54 ? 27.174 -36.105 13.611 1.00 56.73 ? 54 ASP A C 1 ATOM 427 O O . ASP A 1 54 ? 27.298 -35.338 14.569 1.00 55.79 ? 54 ASP A O 1 ATOM 428 C CB . ASP A 1 54 ? 24.690 -35.755 13.380 1.00 53.73 ? 54 ASP A CB 1 ATOM 429 C CG . ASP A 1 54 ? 24.501 -34.324 13.830 1.00 69.63 ? 54 ASP A CG 1 ATOM 430 O OD1 . ASP A 1 54 ? 25.017 -33.414 13.144 1.00 66.93 ? 54 ASP A OD1 1 ATOM 431 O OD2 . ASP A 1 54 ? 23.841 -34.110 14.873 1.00 83.89 ? 54 ASP A OD2 1 ATOM 432 N N . CYS A 1 55 ? 28.036 -37.083 13.357 1.00 55.19 ? 55 CYS A N 1 ATOM 433 C CA . CYS A 1 55 ? 29.234 -37.275 14.165 1.00 56.09 ? 55 CYS A CA 1 ATOM 434 C C . CYS A 1 55 ? 30.513 -36.952 13.377 1.00 55.21 ? 55 CYS A C 1 ATOM 435 O O . CYS A 1 55 ? 30.602 -37.223 12.180 1.00 54.66 ? 55 CYS A O 1 ATOM 436 C CB . CYS A 1 55 ? 29.287 -38.710 14.693 1.00 56.83 ? 55 CYS A CB 1 ATOM 437 S SG . CYS A 1 55 ? 28.047 -39.087 15.972 1.00 71.11 ? 55 CYS A SG 1 ATOM 438 N N . THR A 1 56 ? 31.491 -36.355 14.051 1.00 57.42 ? 56 THR A N 1 ATOM 439 C CA . THR A 1 56 ? 32.818 -36.167 13.471 1.00 51.80 ? 56 THR A CA 1 ATOM 440 C C . THR A 1 56 ? 33.597 -37.464 13.639 1.00 54.91 ? 56 THR A C 1 ATOM 441 O O . THR A 1 56 ? 33.102 -38.410 14.253 1.00 59.63 ? 56 THR A O 1 ATOM 442 C CB . THR A 1 56 ? 33.604 -34.996 14.131 1.00 53.24 ? 56 THR A CB 1 ATOM 443 O OG1 . THR A 1 56 ? 34.038 -35.371 15.445 1.00 57.02 ? 56 THR A OG1 1 ATOM 444 C CG2 . THR A 1 56 ? 32.761 -33.741 14.216 1.00 47.72 ? 56 THR A CG2 1 ATOM 445 N N . ILE A 1 57 ? 34.808 -37.514 13.094 1.00 53.93 ? 57 ILE A N 1 ATOM 446 C CA . ILE A 1 57 ? 35.660 -38.686 13.252 1.00 50.84 ? 57 ILE A CA 1 ATOM 447 C C . ILE A 1 57 ? 35.990 -38.942 14.726 1.00 51.13 ? 57 ILE A C 1 ATOM 448 O O . ILE A 1 57 ? 35.909 -40.078 15.199 1.00 51.42 ? 57 ILE A O 1 ATOM 449 C CB . ILE A 1 57 ? 36.961 -38.538 12.421 1.00 53.84 ? 57 ILE A CB 1 ATOM 450 C CG1 . ILE A 1 57 ? 36.668 -38.864 10.955 1.00 50.03 ? 57 ILE A CG1 1 ATOM 451 C CG2 . ILE A 1 57 ? 38.065 -39.455 12.933 1.00 47.30 ? 57 ILE A CG2 1 ATOM 452 C CD1 . ILE A 1 57 ? 37.880 -38.836 10.076 1.00 57.66 ? 57 ILE A CD1 1 ATOM 453 N N . GLU A 1 58 ? 36.333 -37.886 15.458 1.00 52.93 ? 58 GLU A N 1 ATOM 454 C CA . GLU A 1 58 ? 36.683 -38.030 16.868 1.00 55.12 ? 58 GLU A CA 1 ATOM 455 C C . GLU A 1 58 ? 35.506 -38.560 17.702 1.00 57.12 ? 58 GLU A C 1 ATOM 456 O O . GLU A 1 58 ? 35.680 -39.454 18.526 1.00 56.38 ? 58 GLU A O 1 ATOM 457 C CB . GLU A 1 58 ? 37.170 -36.695 17.437 1.00 54.88 ? 58 GLU A CB 1 ATOM 458 C CG . GLU A 1 58 ? 38.362 -36.107 16.700 1.00 55.84 ? 58 GLU A CG 1 ATOM 459 C CD . GLU A 1 58 ? 37.953 -35.059 15.674 1.00 56.73 ? 58 GLU A CD 1 ATOM 460 O OE1 . GLU A 1 58 ? 37.279 -35.427 14.691 1.00 53.34 ? 58 GLU A OE1 1 ATOM 461 O OE2 . GLU A 1 58 ? 38.300 -33.869 15.854 1.00 55.98 ? 58 GLU A OE2 1 ATOM 462 N N . GLY A 1 59 ? 34.313 -38.015 17.479 1.00 50.99 ? 59 GLY A N 1 ATOM 463 C CA . GLY A 1 59 ? 33.131 -38.459 18.197 1.00 48.10 ? 59 GLY A CA 1 ATOM 464 C C . GLY A 1 59 ? 32.790 -39.914 17.926 1.00 52.36 ? 59 GLY A C 1 ATOM 465 O O . GLY A 1 59 ? 32.431 -40.665 18.835 1.00 51.05 ? 59 GLY A O 1 ATOM 466 N N . TRP A 1 60 ? 32.906 -40.319 16.666 1.00 51.70 ? 60 TRP A N 1 ATOM 467 C CA . TRP A 1 60 ? 32.621 -41.694 16.289 1.00 47.74 ? 60 TRP A CA 1 ATOM 468 C C . TRP A 1 60 ? 33.570 -42.659 16.984 1.00 49.95 ? 60 TRP A C 1 ATOM 469 O O . TRP A 1 60 ? 33.141 -43.646 17.584 1.00 53.18 ? 60 TRP A O 1 ATOM 470 C CB . TRP A 1 60 ? 32.707 -41.855 14.768 1.00 48.98 ? 60 TRP A CB 1 ATOM 471 C CG . TRP A 1 60 ? 32.981 -43.250 14.306 1.00 48.18 ? 60 TRP A CG 1 ATOM 472 C CD1 . TRP A 1 60 ? 32.346 -44.389 14.708 1.00 53.36 ? 60 TRP A CD1 1 ATOM 473 C CD2 . TRP A 1 60 ? 33.950 -43.656 13.330 1.00 47.73 ? 60 TRP A CD2 1 ATOM 474 N NE1 . TRP A 1 60 ? 32.870 -45.481 14.055 1.00 54.26 ? 60 TRP A NE1 1 ATOM 475 C CE2 . TRP A 1 60 ? 33.855 -45.058 13.203 1.00 47.87 ? 60 TRP A CE2 1 ATOM 476 C CE3 . TRP A 1 60 ? 34.891 -42.971 12.551 1.00 48.24 ? 60 TRP A CE3 1 ATOM 477 C CZ2 . TRP A 1 60 ? 34.663 -45.786 12.332 1.00 44.18 ? 60 TRP A CZ2 1 ATOM 478 C CZ3 . TRP A 1 60 ? 35.693 -43.698 11.685 1.00 42.53 ? 60 TRP A CZ3 1 ATOM 479 C CH2 . TRP A 1 60 ? 35.573 -45.090 11.584 1.00 45.67 ? 60 TRP A CH2 1 ATOM 480 N N . ILE A 1 61 ? 34.861 -42.363 16.923 1.00 51.45 ? 61 ILE A N 1 ATOM 481 C CA . ILE A 1 61 ? 35.850 -43.352 17.307 1.00 50.62 ? 61 ILE A CA 1 ATOM 482 C C . ILE A 1 61 ? 36.126 -43.304 18.814 1.00 49.96 ? 61 ILE A C 1 ATOM 483 O O . ILE A 1 61 ? 36.599 -44.281 19.393 1.00 54.00 ? 61 ILE A O 1 ATOM 484 C CB . ILE A 1 61 ? 37.158 -43.169 16.485 1.00 47.34 ? 61 ILE A CB 1 ATOM 485 C CG1 . ILE A 1 61 ? 37.920 -44.489 16.378 1.00 48.04 ? 61 ILE A CG1 1 ATOM 486 C CG2 . ILE A 1 61 ? 38.037 -42.078 17.069 1.00 52.35 ? 61 ILE A CG2 1 ATOM 487 C CD1 . ILE A 1 61 ? 37.329 -45.457 15.386 1.00 48.59 ? 61 ILE A CD1 1 ATOM 488 N N . LEU A 1 62 ? 35.820 -42.181 19.456 1.00 49.67 ? 62 LEU A N 1 ATOM 489 C CA . LEU A 1 62 ? 35.912 -42.105 20.917 1.00 50.53 ? 62 LEU A CA 1 ATOM 490 C C . LEU A 1 62 ? 34.682 -42.732 21.562 1.00 55.69 ? 62 LEU A C 1 ATOM 491 O O . LEU A 1 62 ? 34.717 -43.148 22.717 1.00 60.38 ? 62 LEU A O 1 ATOM 492 C CB . LEU A 1 62 ? 36.057 -40.660 21.394 1.00 47.66 ? 62 LEU A CB 1 ATOM 493 C CG . LEU A 1 62 ? 37.425 -40.002 21.219 1.00 52.63 ? 62 LEU A CG 1 ATOM 494 C CD1 . LEU A 1 62 ? 37.352 -38.515 21.547 1.00 49.42 ? 62 LEU A CD1 1 ATOM 495 C CD2 . LEU A 1 62 ? 38.468 -40.699 22.069 1.00 49.25 ? 62 LEU A CD2 1 ATOM 496 N N . GLY A 1 63 ? 33.586 -42.789 20.814 1.00 50.99 ? 63 GLY A N 1 ATOM 497 C CA . GLY A 1 63 ? 32.353 -43.336 21.336 1.00 51.04 ? 63 GLY A CA 1 ATOM 498 C C . GLY A 1 63 ? 31.521 -42.297 22.061 1.00 56.70 ? 63 GLY A C 1 ATOM 499 O O . GLY A 1 63 ? 30.960 -42.584 23.119 1.00 61.66 ? 63 GLY A O 1 ATOM 500 N N . ASN A 1 64 ? 31.475 -41.086 21.511 1.00 49.15 ? 64 ASN A N 1 ATOM 501 C CA . ASN A 1 64 ? 30.534 -40.061 21.948 1.00 53.13 ? 64 ASN A CA 1 ATOM 502 C C . ASN A 1 64 ? 29.138 -40.683 22.036 1.00 59.31 ? 64 ASN A C 1 ATOM 503 O O . ASN A 1 64 ? 28.701 -41.357 21.099 1.00 58.63 ? 64 ASN A O 1 ATOM 504 C CB . ASN A 1 64 ? 30.563 -38.868 20.978 1.00 49.40 ? 64 ASN A CB 1 ATOM 505 C CG . ASN A 1 64 ? 29.599 -37.745 21.363 1.00 54.99 ? 64 ASN A CG 1 ATOM 506 O OD1 . ASN A 1 64 ? 28.414 -37.973 21.611 1.00 62.17 ? 64 ASN A OD1 1 ATOM 507 N ND2 . ASN A 1 64 ? 30.103 -36.518 21.374 1.00 51.23 ? 64 ASN A ND2 1 ATOM 508 N N . PRO A 1 65 ? 28.446 -40.476 23.171 1.00 57.60 ? 65 PRO A N 1 ATOM 509 C CA . PRO A 1 65 ? 27.153 -41.123 23.438 1.00 60.69 ? 65 PRO A CA 1 ATOM 510 C C . PRO A 1 65 ? 26.093 -40.819 22.376 1.00 58.17 ? 65 PRO A C 1 ATOM 511 O O . PRO A 1 65 ? 25.224 -41.653 22.123 1.00 58.63 ? 65 PRO A O 1 ATOM 512 C CB . PRO A 1 65 ? 26.744 -40.544 24.800 1.00 64.83 ? 65 PRO A CB 1 ATOM 513 C CG . PRO A 1 65 ? 28.013 -40.095 25.426 1.00 58.26 ? 65 PRO A CG 1 ATOM 514 C CD . PRO A 1 65 ? 28.879 -39.627 24.295 1.00 58.03 ? 65 PRO A CD 1 ATOM 515 N N . LYS A 1 66 ? 26.179 -39.652 21.747 1.00 64.72 ? 66 LYS A N 1 ATOM 516 C CA . LYS A 1 66 ? 25.229 -39.293 20.701 1.00 63.41 ? 66 LYS A CA 1 ATOM 517 C C . LYS A 1 66 ? 25.591 -39.892 19.338 1.00 62.92 ? 66 LYS A C 1 ATOM 518 O O . LYS A 1 66 ? 25.004 -39.526 18.316 1.00 66.53 ? 66 LYS A O 1 ATOM 519 C CB . LYS A 1 66 ? 25.113 -37.775 20.594 1.00 63.65 ? 66 LYS A CB 1 ATOM 520 C CG . LYS A 1 66 ? 24.358 -37.141 21.754 1.00 70.09 ? 66 LYS A CG 1 ATOM 521 C CD . LYS A 1 66 ? 23.874 -35.740 21.403 1.00 71.08 ? 66 LYS A CD 1 ATOM 522 C CE . LYS A 1 66 ? 23.111 -35.109 22.555 1.00 71.08 ? 66 LYS A CE 1 ATOM 523 N NZ . LYS A 1 66 ? 22.523 -33.791 22.189 1.00 73.35 ? 66 LYS A NZ 1 ATOM 524 N N . CYS A 1 67 ? 26.543 -40.823 19.324 1.00 60.71 ? 67 CYS A N 1 ATOM 525 C CA . CYS A 1 67 ? 26.936 -41.491 18.084 1.00 60.80 ? 67 CYS A CA 1 ATOM 526 C C . CYS A 1 67 ? 26.651 -42.989 18.141 1.00 62.59 ? 67 CYS A C 1 ATOM 527 O O . CYS A 1 67 ? 27.333 -43.775 17.482 1.00 62.91 ? 67 CYS A O 1 ATOM 528 C CB . CYS A 1 67 ? 28.425 -41.266 17.793 1.00 55.03 ? 67 CYS A CB 1 ATOM 529 S SG . CYS A 1 67 ? 28.942 -39.534 17.749 1.00 61.56 ? 67 CYS A SG 1 ATOM 530 N N . ASP A 1 68 ? 25.643 -43.380 18.918 1.00 58.39 ? 68 ASP A N 1 ATOM 531 C CA . ASP A 1 68 ? 25.349 -44.793 19.155 1.00 56.64 ? 68 ASP A CA 1 ATOM 532 C C . ASP A 1 68 ? 24.930 -45.526 17.888 1.00 55.05 ? 68 ASP A C 1 ATOM 533 O O . ASP A 1 68 ? 25.110 -46.744 17.782 1.00 55.31 ? 68 ASP A O 1 ATOM 534 C CB . ASP A 1 68 ? 24.257 -44.947 20.224 1.00 62.49 ? 68 ASP A CB 1 ATOM 535 C CG . ASP A 1 68 ? 24.800 -44.856 21.652 1.00 68.51 ? 68 ASP A CG 1 ATOM 536 O OD1 . ASP A 1 68 ? 26.035 -44.787 21.842 1.00 63.13 ? 68 ASP A OD1 1 ATOM 537 O OD2 . ASP A 1 68 ? 23.980 -44.868 22.597 1.00 80.79 ? 68 ASP A OD2 1 ATOM 538 N N . LEU A 1 69 ? 24.361 -44.792 16.935 1.00 49.59 ? 69 LEU A N 1 ATOM 539 C CA . LEU A 1 69 ? 24.025 -45.363 15.635 1.00 49.74 ? 69 LEU A CA 1 ATOM 540 C C . LEU A 1 69 ? 25.243 -46.026 14.982 1.00 50.26 ? 69 LEU A C 1 ATOM 541 O O . LEU A 1 69 ? 25.131 -47.081 14.360 1.00 48.28 ? 69 LEU A O 1 ATOM 542 C CB . LEU A 1 69 ? 23.456 -44.283 14.714 1.00 58.34 ? 69 LEU A CB 1 ATOM 543 C CG . LEU A 1 69 ? 23.156 -44.680 13.263 1.00 63.01 ? 69 LEU A CG 1 ATOM 544 C CD1 . LEU A 1 69 ? 22.303 -45.948 13.193 1.00 62.47 ? 69 LEU A CD1 1 ATOM 545 C CD2 . LEU A 1 69 ? 22.471 -43.534 12.535 1.00 61.45 ? 69 LEU A CD2 1 ATOM 546 N N . LEU A 1 70 ? 26.409 -45.409 15.148 1.00 56.67 ? 70 LEU A N 1 ATOM 547 C CA . LEU A 1 70 ? 27.635 -45.897 14.529 1.00 57.05 ? 70 LEU A CA 1 ATOM 548 C C . LEU A 1 70 ? 28.359 -46.936 15.372 1.00 55.38 ? 70 LEU A C 1 ATOM 549 O O . LEU A 1 70 ? 29.150 -47.720 14.844 1.00 53.45 ? 70 LEU A O 1 ATOM 550 C CB . LEU A 1 70 ? 28.583 -44.726 14.248 1.00 58.49 ? 70 LEU A CB 1 ATOM 551 C CG . LEU A 1 70 ? 28.088 -43.650 13.281 1.00 59.47 ? 70 LEU A CG 1 ATOM 552 C CD1 . LEU A 1 70 ? 29.038 -42.458 13.294 1.00 58.05 ? 70 LEU A CD1 1 ATOM 553 C CD2 . LEU A 1 70 ? 27.942 -44.223 11.874 1.00 50.34 ? 70 LEU A CD2 1 ATOM 554 N N . LEU A 1 71 ? 28.086 -46.929 16.675 1.00 50.02 ? 71 LEU A N 1 ATOM 555 C CA . LEU A 1 71 ? 28.843 -47.712 17.652 1.00 46.77 ? 71 LEU A CA 1 ATOM 556 C C . LEU A 1 71 ? 28.930 -49.198 17.328 1.00 46.09 ? 71 LEU A C 1 ATOM 557 O O . LEU A 1 71 ? 27.926 -49.830 16.999 1.00 51.55 ? 71 LEU A O 1 ATOM 558 C CB . LEU A 1 71 ? 28.238 -47.535 19.040 1.00 48.71 ? 71 LEU A CB 1 ATOM 559 C CG . LEU A 1 71 ? 29.035 -48.189 20.167 1.00 51.61 ? 71 LEU A CG 1 ATOM 560 C CD1 . LEU A 1 71 ? 30.270 -47.368 20.507 1.00 42.62 ? 71 LEU A CD1 1 ATOM 561 C CD2 . LEU A 1 71 ? 28.155 -48.416 21.386 1.00 50.88 ? 71 LEU A CD2 1 ATOM 562 N N . GLY A 1 72 ? 30.140 -49.749 17.426 1.00 46.60 ? 72 GLY A N 1 ATOM 563 C CA . GLY A 1 72 ? 30.382 -51.148 17.112 1.00 46.93 ? 72 GLY A CA 1 ATOM 564 C C . GLY A 1 72 ? 31.197 -51.385 15.844 1.00 54.40 ? 72 GLY A C 1 ATOM 565 O O . GLY A 1 72 ? 31.988 -50.538 15.419 1.00 53.80 ? 72 GLY A O 1 ATOM 566 N N . ASP A 1 73 ? 30.995 -52.554 15.240 1.00 56.09 ? 73 ASP A N 1 ATOM 567 C CA . ASP A 1 73 ? 31.708 -52.957 14.037 1.00 50.20 ? 73 ASP A CA 1 ATOM 568 C C . ASP A 1 73 ? 31.303 -52.143 12.816 1.00 56.59 ? 73 ASP A C 1 ATOM 569 O O . ASP A 1 73 ? 30.124 -51.826 12.630 1.00 57.58 ? 73 ASP A O 1 ATOM 570 C CB . ASP A 1 73 ? 31.476 -54.441 13.776 1.00 48.27 ? 73 ASP A CB 1 ATOM 571 C CG . ASP A 1 73 ? 31.931 -55.299 14.933 1.00 59.90 ? 73 ASP A CG 1 ATOM 572 O OD1 . ASP A 1 73 ? 32.555 -54.723 15.847 1.00 63.46 ? 73 ASP A OD1 1 ATOM 573 O OD2 . ASP A 1 73 ? 31.681 -56.528 14.940 1.00 62.19 ? 73 ASP A OD2 1 ATOM 574 N N . GLN A 1 74 ? 32.290 -51.801 11.989 1.00 52.45 ? 74 GLN A N 1 ATOM 575 C CA . GLN A 1 74 ? 32.038 -51.110 10.722 1.00 46.30 ? 74 GLN A CA 1 ATOM 576 C C . GLN A 1 74 ? 32.978 -51.585 9.622 1.00 44.81 ? 74 GLN A C 1 ATOM 577 O O . GLN A 1 74 ? 34.157 -51.843 9.866 1.00 42.70 ? 74 GLN A O 1 ATOM 578 C CB . GLN A 1 74 ? 32.176 -49.596 10.887 1.00 42.04 ? 74 GLN A CB 1 ATOM 579 C CG . GLN A 1 74 ? 31.164 -48.953 11.822 1.00 48.22 ? 74 GLN A CG 1 ATOM 580 C CD . GLN A 1 74 ? 29.756 -48.908 11.246 1.00 49.26 ? 74 GLN A CD 1 ATOM 581 O OE1 . GLN A 1 74 ? 29.473 -49.492 10.197 1.00 53.70 ? 74 GLN A OE1 1 ATOM 582 N NE2 . GLN A 1 74 ? 28.865 -48.202 11.933 1.00 51.93 ? 74 GLN A NE2 1 ATOM 583 N N . SER A 1 75 ? 32.439 -51.714 8.415 1.00 49.65 ? 75 SER A N 1 ATOM 584 C CA . SER A 1 75 ? 33.248 -51.910 7.214 1.00 51.20 ? 75 SER A CA 1 ATOM 585 C C . SER A 1 75 ? 32.972 -50.773 6.238 1.00 53.91 ? 75 SER A C 1 ATOM 586 O O . SER A 1 75 ? 31.831 -50.320 6.106 1.00 54.21 ? 75 SER A O 1 ATOM 587 C CB . SER A 1 75 ? 32.953 -53.254 6.550 1.00 47.52 ? 75 SER A CB 1 ATOM 588 O OG . SER A 1 75 ? 33.633 -54.307 7.207 1.00 55.08 ? 75 SER A OG 1 ATOM 589 N N . TRP A 1 76 ? 34.011 -50.305 5.554 1.00 53.37 ? 76 TRP A N 1 ATOM 590 C CA . TRP A 1 76 ? 33.834 -49.202 4.615 1.00 48.48 ? 76 TRP A CA 1 ATOM 591 C C . TRP A 1 76 ? 34.850 -49.207 3.478 1.00 49.18 ? 76 TRP A C 1 ATOM 592 O O . TRP A 1 76 ? 35.970 -49.696 3.624 1.00 50.63 ? 76 TRP A O 1 ATOM 593 C CB . TRP A 1 76 ? 33.904 -47.872 5.363 1.00 43.93 ? 76 TRP A CB 1 ATOM 594 C CG . TRP A 1 76 ? 35.262 -47.578 5.911 1.00 46.82 ? 76 TRP A CG 1 ATOM 595 C CD1 . TRP A 1 76 ? 36.261 -46.893 5.291 1.00 45.25 ? 76 TRP A CD1 1 ATOM 596 C CD2 . TRP A 1 76 ? 35.772 -47.952 7.196 1.00 49.69 ? 76 TRP A CD2 1 ATOM 597 N NE1 . TRP A 1 76 ? 37.360 -46.816 6.104 1.00 41.13 ? 76 TRP A NE1 1 ATOM 598 C CE2 . TRP A 1 76 ? 37.090 -47.460 7.281 1.00 45.04 ? 76 TRP A CE2 1 ATOM 599 C CE3 . TRP A 1 76 ? 35.241 -48.653 8.285 1.00 44.45 ? 76 TRP A CE3 1 ATOM 600 C CZ2 . TRP A 1 76 ? 37.889 -47.649 8.407 1.00 44.61 ? 76 TRP A CZ2 1 ATOM 601 C CZ3 . TRP A 1 76 ? 36.036 -48.842 9.398 1.00 45.60 ? 76 TRP A CZ3 1 ATOM 602 C CH2 . TRP A 1 76 ? 37.348 -48.337 9.451 1.00 46.00 ? 76 TRP A CH2 1 ATOM 603 N N . SER A 1 77 ? 34.441 -48.648 2.345 1.00 53.97 ? 77 SER A N 1 ATOM 604 C CA . SER A 1 77 ? 35.334 -48.441 1.213 1.00 54.46 ? 77 SER A CA 1 ATOM 605 C C . SER A 1 77 ? 35.948 -47.039 1.275 1.00 53.80 ? 77 SER A C 1 ATOM 606 O O . SER A 1 77 ? 36.984 -46.776 0.658 1.00 56.58 ? 77 SER A O 1 ATOM 607 C CB . SER A 1 77 ? 34.585 -48.640 -0.102 1.00 54.93 ? 77 SER A CB 1 ATOM 608 O OG . SER A 1 77 ? 33.415 -47.843 -0.139 1.00 50.32 ? 77 SER A OG 1 ATOM 609 N N . TYR A 1 78 ? 35.282 -46.147 2.010 1.00 46.74 ? 78 TYR A N 1 ATOM 610 C CA . TYR A 1 78 ? 35.805 -44.818 2.350 1.00 45.02 ? 78 TYR A CA 1 ATOM 611 C C . TYR A 1 78 ? 34.859 -44.147 3.335 1.00 45.16 ? 78 TYR A C 1 ATOM 612 O O . TYR A 1 78 ? 33.747 -44.615 3.550 1.00 47.66 ? 78 TYR A O 1 ATOM 613 C CB . TYR A 1 78 ? 35.993 -43.929 1.109 1.00 42.29 ? 78 TYR A CB 1 ATOM 614 C CG . TYR A 1 78 ? 34.742 -43.711 0.292 1.00 37.22 ? 78 TYR A CG 1 ATOM 615 C CD1 . TYR A 1 78 ? 34.334 -44.655 -0.632 1.00 40.79 ? 78 TYR A CD1 1 ATOM 616 C CD2 . TYR A 1 78 ? 33.984 -42.561 0.430 1.00 34.35 ? 78 TYR A CD2 1 ATOM 617 C CE1 . TYR A 1 78 ? 33.196 -44.471 -1.387 1.00 42.55 ? 78 TYR A CE1 1 ATOM 618 C CE2 . TYR A 1 78 ? 32.838 -42.366 -0.324 1.00 37.58 ? 78 TYR A CE2 1 ATOM 619 C CZ . TYR A 1 78 ? 32.451 -43.330 -1.233 1.00 41.52 ? 78 TYR A CZ 1 ATOM 620 O OH . TYR A 1 78 ? 31.317 -43.167 -2.003 1.00 45.83 ? 78 TYR A OH 1 ATOM 621 N N . ILE A 1 79 ? 35.296 -43.040 3.918 1.00 41.11 ? 79 ILE A N 1 ATOM 622 C CA . ILE A 1 79 ? 34.533 -42.383 4.965 1.00 42.03 ? 79 ILE A CA 1 ATOM 623 C C . ILE A 1 79 ? 34.066 -40.993 4.527 1.00 46.43 ? 79 ILE A C 1 ATOM 624 O O . ILE A 1 79 ? 34.834 -40.220 3.963 1.00 52.76 ? 79 ILE A O 1 ATOM 625 C CB . ILE A 1 79 ? 35.367 -42.285 6.261 1.00 44.38 ? 79 ILE A CB 1 ATOM 626 C CG1 . ILE A 1 79 ? 35.759 -43.686 6.732 1.00 39.87 ? 79 ILE A CG1 1 ATOM 627 C CG2 . ILE A 1 79 ? 34.601 -41.558 7.352 1.00 40.28 ? 79 ILE A CG2 1 ATOM 628 C CD1 . ILE A 1 79 ? 36.703 -43.688 7.894 1.00 40.24 ? 79 ILE A CD1 1 ATOM 629 N N . VAL A 1 80 ? 32.793 -40.696 4.763 1.00 42.35 ? 80 VAL A N 1 ATOM 630 C CA . VAL A 1 80 ? 32.239 -39.382 4.482 1.00 45.13 ? 80 VAL A CA 1 ATOM 631 C C . VAL A 1 80 ? 31.952 -38.651 5.786 1.00 51.47 ? 80 VAL A C 1 ATOM 632 O O . VAL A 1 80 ? 31.102 -39.068 6.567 1.00 54.80 ? 80 VAL A O 1 ATOM 633 C CB . VAL A 1 80 ? 30.943 -39.476 3.658 1.00 49.70 ? 80 VAL A CB 1 ATOM 634 C CG1 . VAL A 1 80 ? 30.312 -38.099 3.482 1.00 47.13 ? 80 VAL A CG1 1 ATOM 635 C CG2 . VAL A 1 80 ? 31.220 -40.120 2.314 1.00 41.86 ? 80 VAL A CG2 1 ATOM 636 N N . GLU A 1 81 ? 32.679 -37.570 6.032 1.00 51.89 ? 81 GLU A N 1 ATOM 637 C CA . GLU A 1 81 ? 32.441 -36.756 7.210 1.00 53.15 ? 81 GLU A CA 1 ATOM 638 C C . GLU A 1 81 ? 31.690 -35.508 6.766 1.00 53.21 ? 81 GLU A C 1 ATOM 639 O O . GLU A 1 81 ? 32.077 -34.858 5.795 1.00 55.17 ? 81 GLU A O 1 ATOM 640 C CB . GLU A 1 81 ? 33.758 -36.401 7.917 1.00 53.37 ? 81 GLU A CB 1 ATOM 641 C CG . GLU A 1 81 ? 33.580 -35.719 9.274 1.00 57.59 ? 81 GLU A CG 1 ATOM 642 C CD . GLU A 1 81 ? 34.876 -35.126 9.821 1.00 65.10 ? 81 GLU A CD 1 ATOM 643 O OE1 . GLU A 1 81 ? 35.205 -35.386 11.003 1.00 60.99 ? 81 GLU A OE1 1 ATOM 644 O OE2 . GLU A 1 81 ? 35.561 -34.394 9.070 1.00 68.97 ? 81 GLU A OE2 1 ATOM 645 N N . ARG A 1 82 ? 30.605 -35.186 7.466 1.00 50.71 ? 82 ARG A N 1 ATOM 646 C CA . ARG A 1 82 ? 29.777 -34.041 7.105 1.00 48.81 ? 82 ARG A CA 1 ATOM 647 C C . ARG A 1 82 ? 30.321 -32.769 7.741 1.00 52.00 ? 82 ARG A C 1 ATOM 648 O O . ARG A 1 82 ? 30.752 -32.781 8.892 1.00 54.30 ? 82 ARG A O 1 ATOM 649 C CB . ARG A 1 82 ? 28.326 -34.277 7.523 1.00 51.70 ? 82 ARG A CB 1 ATOM 650 C CG . ARG A 1 82 ? 27.757 -35.607 7.046 1.00 48.47 ? 82 ARG A CG 1 ATOM 651 C CD . ARG A 1 82 ? 27.743 -35.671 5.547 1.00 51.53 ? 82 ARG A CD 1 ATOM 652 N NE . ARG A 1 82 ? 27.186 -36.917 5.032 1.00 52.79 ? 82 ARG A NE 1 ATOM 653 C CZ . ARG A 1 82 ? 26.949 -37.129 3.742 1.00 51.48 ? 82 ARG A CZ 1 ATOM 654 N NH1 . ARG A 1 82 ? 27.229 -36.179 2.860 1.00 49.10 ? 82 ARG A NH1 1 ATOM 655 N NH2 . ARG A 1 82 ? 26.441 -38.284 3.334 1.00 48.22 ? 82 ARG A NH2 1 ATOM 656 N N . PRO A 1 83 ? 30.317 -31.666 6.981 1.00 63.71 ? 83 PRO A N 1 ATOM 657 C CA . PRO A 1 83 ? 30.898 -30.394 7.426 1.00 66.48 ? 83 PRO A CA 1 ATOM 658 C C . PRO A 1 83 ? 30.223 -29.802 8.669 1.00 70.44 ? 83 PRO A C 1 ATOM 659 O O . PRO A 1 83 ? 30.866 -29.065 9.413 1.00 75.42 ? 83 PRO A O 1 ATOM 660 C CB . PRO A 1 83 ? 30.693 -29.477 6.215 1.00 62.69 ? 83 PRO A CB 1 ATOM 661 C CG . PRO A 1 83 ? 30.575 -30.394 5.061 1.00 62.34 ? 83 PRO A CG 1 ATOM 662 C CD . PRO A 1 83 ? 29.848 -31.592 5.588 1.00 66.64 ? 83 PRO A CD 1 ATOM 663 N N . ASN A 1 84 ? 28.953 -30.118 8.892 1.00 82.87 ? 84 ASN A N 1 ATOM 664 C CA . ASN A 1 84 ? 28.228 -29.551 10.025 1.00 88.73 ? 84 ASN A CA 1 ATOM 665 C C . ASN A 1 84 ? 27.952 -30.554 11.148 1.00 90.28 ? 84 ASN A C 1 ATOM 666 O O . ASN A 1 84 ? 26.981 -30.409 11.891 1.00 94.68 ? 84 ASN A O 1 ATOM 667 C CB . ASN A 1 84 ? 26.913 -28.934 9.540 1.00 93.75 ? 84 ASN A CB 1 ATOM 668 C CG . ASN A 1 84 ? 27.111 -27.551 8.942 1.00 105.11 ? 84 ASN A CG 1 ATOM 669 O OD1 . ASN A 1 84 ? 27.960 -26.780 9.404 1.00 100.61 ? 84 ASN A OD1 1 ATOM 670 N ND2 . ASN A 1 84 ? 26.339 -27.233 7.901 1.00 104.19 ? 84 ASN A ND2 1 ATOM 671 N N . ALA A 1 85 ? 28.808 -31.566 11.270 1.00 68.54 ? 85 ALA A N 1 ATOM 672 C CA . ALA A 1 85 ? 28.692 -32.542 12.349 1.00 68.63 ? 85 ALA A CA 1 ATOM 673 C C . ALA A 1 85 ? 28.917 -31.863 13.702 1.00 68.75 ? 85 ALA A C 1 ATOM 674 O O . ALA A 1 85 ? 29.892 -31.137 13.881 1.00 68.94 ? 85 ALA A O 1 ATOM 675 C CB . ALA A 1 85 ? 29.678 -33.679 12.148 1.00 58.76 ? 85 ALA A CB 1 ATOM 676 N N . GLN A 1 86 ? 28.008 -32.100 14.644 1.00 66.52 ? 86 GLN A N 1 ATOM 677 C CA . GLN A 1 86 ? 28.025 -31.402 15.930 1.00 64.70 ? 86 GLN A CA 1 ATOM 678 C C . GLN A 1 86 ? 28.601 -32.275 17.032 1.00 57.53 ? 86 GLN A C 1 ATOM 679 O O . GLN A 1 86 ? 29.118 -31.774 18.028 1.00 59.21 ? 86 GLN A O 1 ATOM 680 C CB . GLN A 1 86 ? 26.610 -30.948 16.320 1.00 63.68 ? 86 GLN A CB 1 ATOM 681 C CG . GLN A 1 86 ? 26.005 -29.853 15.434 1.00 68.50 ? 86 GLN A CG 1 ATOM 682 C CD . GLN A 1 86 ? 26.662 -28.495 15.632 1.00 76.35 ? 86 GLN A CD 1 ATOM 683 O OE1 . GLN A 1 86 ? 26.416 -27.815 16.628 1.00 85.18 ? 86 GLN A OE1 1 ATOM 684 N NE2 . GLN A 1 86 ? 27.495 -28.091 14.677 1.00 74.52 ? 86 GLN A NE2 1 ATOM 685 N N . ASN A 1 87 ? 28.515 -33.586 16.843 1.00 58.08 ? 87 ASN A N 1 ATOM 686 C CA . ASN A 1 87 ? 28.914 -34.530 17.875 1.00 57.44 ? 87 ASN A CA 1 ATOM 687 C C . ASN A 1 87 ? 30.351 -35.013 17.735 1.00 57.28 ? 87 ASN A C 1 ATOM 688 O O . ASN A 1 87 ? 30.619 -36.030 17.097 1.00 58.49 ? 87 ASN A O 1 ATOM 689 C CB . ASN A 1 87 ? 27.954 -35.714 17.876 1.00 60.00 ? 87 ASN A CB 1 ATOM 690 C CG . ASN A 1 87 ? 26.530 -35.293 18.173 1.00 65.38 ? 87 ASN A CG 1 ATOM 691 O OD1 . ASN A 1 87 ? 26.287 -34.463 19.056 1.00 66.40 ? 87 ASN A OD1 1 ATOM 692 N ND2 . ASN A 1 87 ? 25.580 -35.841 17.421 1.00 67.06 ? 87 ASN A ND2 1 ATOM 693 N N . GLY A 1 88 ? 31.274 -34.275 18.345 1.00 50.05 ? 88 GLY A N 1 ATOM 694 C CA . GLY A 1 88 ? 32.677 -34.629 18.307 1.00 44.95 ? 88 GLY A CA 1 ATOM 695 C C . GLY A 1 88 ? 33.214 -34.864 19.700 1.00 47.86 ? 88 GLY A C 1 ATOM 696 O O . GLY A 1 88 ? 32.710 -35.703 20.434 1.00 51.35 ? 88 GLY A O 1 ATOM 697 N N . ILE A 1 89 ? 34.254 -34.125 20.062 1.00 56.33 ? 89 ILE A N 1 ATOM 698 C CA . ILE A 1 89 ? 34.770 -34.161 21.423 1.00 61.63 ? 89 ILE A CA 1 ATOM 699 C C . ILE A 1 89 ? 33.877 -33.299 22.311 1.00 61.53 ? 89 ILE A C 1 ATOM 700 O O . ILE A 1 89 ? 33.927 -32.068 22.257 1.00 62.65 ? 89 ILE A O 1 ATOM 701 C CB . ILE A 1 89 ? 36.223 -33.670 21.486 1.00 59.34 ? 89 ILE A CB 1 ATOM 702 C CG1 . ILE A 1 89 ? 37.121 -34.591 20.658 1.00 53.81 ? 89 ILE A CG1 1 ATOM 703 C CG2 . ILE A 1 89 ? 36.702 -33.587 22.925 1.00 57.94 ? 89 ILE A CG2 1 ATOM 704 C CD1 . ILE A 1 89 ? 38.553 -34.121 20.582 1.00 56.42 ? 89 ILE A CD1 1 ATOM 705 N N . CYS A 1 90 ? 33.049 -33.954 23.119 1.00 63.07 ? 90 CYS A N 1 ATOM 706 C CA . CYS A 1 90 ? 32.044 -33.251 23.906 1.00 68.43 ? 90 CYS A CA 1 ATOM 707 C C . CYS A 1 90 ? 32.645 -32.642 25.176 1.00 68.13 ? 90 CYS A C 1 ATOM 708 O O . CYS A 1 90 ? 32.420 -31.467 25.465 1.00 70.25 ? 90 CYS A O 1 ATOM 709 C CB . CYS A 1 90 ? 30.884 -34.193 24.241 1.00 63.21 ? 90 CYS A CB 1 ATOM 710 S SG . CYS A 1 90 ? 31.378 -35.773 24.956 1.00 84.97 ? 90 CYS A SG 1 ATOM 711 N N . TYR A 1 91 ? 33.409 -33.434 25.926 1.00 55.85 ? 91 TYR A N 1 ATOM 712 C CA . TYR A 1 91 ? 34.155 -32.910 27.065 1.00 60.29 ? 91 TYR A CA 1 ATOM 713 C C . TYR A 1 91 ? 35.462 -32.310 26.557 1.00 58.70 ? 91 TYR A C 1 ATOM 714 O O . TYR A 1 91 ? 36.342 -33.032 26.090 1.00 52.08 ? 91 TYR A O 1 ATOM 715 C CB . TYR A 1 91 ? 34.426 -34.002 28.107 1.00 58.73 ? 91 TYR A CB 1 ATOM 716 C CG . TYR A 1 91 ? 34.872 -33.482 29.461 1.00 59.84 ? 91 TYR A CG 1 ATOM 717 C CD1 . TYR A 1 91 ? 36.200 -33.163 29.700 1.00 58.84 ? 91 TYR A CD1 1 ATOM 718 C CD2 . TYR A 1 91 ? 33.961 -33.320 30.506 1.00 66.27 ? 91 TYR A CD2 1 ATOM 719 C CE1 . TYR A 1 91 ? 36.617 -32.699 30.939 1.00 61.96 ? 91 TYR A CE1 1 ATOM 720 C CE2 . TYR A 1 91 ? 34.368 -32.850 31.752 1.00 60.34 ? 91 TYR A CE2 1 ATOM 721 C CZ . TYR A 1 91 ? 35.698 -32.542 31.959 1.00 64.00 ? 91 TYR A CZ 1 ATOM 722 O OH . TYR A 1 91 ? 36.127 -32.076 33.180 1.00 66.02 ? 91 TYR A OH 1 ATOM 723 N N . PRO A 1 92 ? 35.590 -30.980 26.666 1.00 69.17 ? 92 PRO A N 1 ATOM 724 C CA . PRO A 1 92 ? 36.652 -30.189 26.035 1.00 66.42 ? 92 PRO A CA 1 ATOM 725 C C . PRO A 1 92 ? 38.041 -30.767 26.248 1.00 64.44 ? 92 PRO A C 1 ATOM 726 O O . PRO A 1 92 ? 38.355 -31.270 27.325 1.00 62.55 ? 92 PRO A O 1 ATOM 727 C CB . PRO A 1 92 ? 36.526 -28.817 26.714 1.00 65.27 ? 92 PRO A CB 1 ATOM 728 C CG . PRO A 1 92 ? 35.732 -29.072 27.957 1.00 73.23 ? 92 PRO A CG 1 ATOM 729 C CD . PRO A 1 92 ? 34.786 -30.168 27.593 1.00 69.97 ? 92 PRO A CD 1 ATOM 730 N N . GLY A 1 93 ? 38.860 -30.698 25.208 1.00 58.25 ? 93 GLY A N 1 ATOM 731 C CA . GLY A 1 93 ? 40.216 -31.198 25.282 1.00 53.75 ? 93 GLY A CA 1 ATOM 732 C C . GLY A 1 93 ? 40.800 -31.472 23.911 1.00 57.45 ? 93 GLY A C 1 ATOM 733 O O . GLY A 1 93 ? 40.104 -31.467 22.899 1.00 58.84 ? 93 GLY A O 1 ATOM 734 N N . VAL A 1 94 ? 42.100 -31.714 23.889 1.00 58.49 ? 94 VAL A N 1 ATOM 735 C CA . VAL A 1 94 ? 42.813 -32.000 22.662 1.00 58.89 ? 94 VAL A CA 1 ATOM 736 C C . VAL A 1 94 ? 42.979 -33.506 22.473 1.00 52.37 ? 94 VAL A C 1 ATOM 737 O O . VAL A 1 94 ? 43.377 -34.209 23.406 1.00 51.54 ? 94 VAL A O 1 ATOM 738 C CB . VAL A 1 94 ? 44.202 -31.321 22.671 1.00 56.40 ? 94 VAL A CB 1 ATOM 739 C CG1 . VAL A 1 94 ? 45.002 -31.717 21.447 1.00 50.62 ? 94 VAL A CG1 1 ATOM 740 C CG2 . VAL A 1 94 ? 44.053 -29.803 22.777 1.00 48.44 ? 94 VAL A CG2 1 ATOM 741 N N . LEU A 1 95 ? 42.662 -33.999 21.277 1.00 55.92 ? 95 LEU A N 1 ATOM 742 C CA . LEU A 1 95 ? 43.048 -35.359 20.900 1.00 53.88 ? 95 LEU A CA 1 ATOM 743 C C . LEU A 1 95 ? 44.451 -35.284 20.288 1.00 52.92 ? 95 LEU A C 1 ATOM 744 O O . LEU A 1 95 ? 44.656 -34.690 19.228 1.00 51.08 ? 95 LEU A O 1 ATOM 745 C CB . LEU A 1 95 ? 42.045 -35.985 19.918 1.00 49.98 ? 95 LEU A CB 1 ATOM 746 C CG . LEU A 1 95 ? 41.847 -37.513 19.941 1.00 50.62 ? 95 LEU A CG 1 ATOM 747 C CD1 . LEU A 1 95 ? 40.923 -37.965 18.817 1.00 50.17 ? 95 LEU A CD1 1 ATOM 748 C CD2 . LEU A 1 95 ? 43.144 -38.305 19.903 1.00 50.54 ? 95 LEU A CD2 1 ATOM 749 N N . ASN A 1 96 ? 45.417 -35.876 20.976 1.00 52.16 ? 96 ASN A N 1 ATOM 750 C CA . ASN A 1 96 ? 46.801 -35.816 20.548 1.00 48.66 ? 96 ASN A CA 1 ATOM 751 C C . ASN A 1 96 ? 47.048 -36.563 19.240 1.00 50.25 ? 96 ASN A C 1 ATOM 752 O O . ASN A 1 96 ? 46.499 -37.646 19.015 1.00 43.78 ? 96 ASN A O 1 ATOM 753 C CB . ASN A 1 96 ? 47.697 -36.374 21.643 1.00 53.21 ? 96 ASN A CB 1 ATOM 754 C CG . ASN A 1 96 ? 48.780 -35.408 22.044 1.00 68.54 ? 96 ASN A CG 1 ATOM 755 O OD1 . ASN A 1 96 ? 48.506 -34.380 22.676 1.00 67.97 ? 96 ASN A OD1 1 ATOM 756 N ND2 . ASN A 1 96 ? 50.027 -35.727 21.682 1.00 67.92 ? 96 ASN A ND2 1 ATOM 757 N N . GLU A 1 97 ? 47.878 -35.969 18.385 1.00 52.40 ? 97 GLU A N 1 ATOM 758 C CA . GLU A 1 97 ? 48.203 -36.528 17.078 1.00 40.96 ? 97 GLU A CA 1 ATOM 759 C C . GLU A 1 97 ? 46.948 -36.813 16.276 1.00 42.76 ? 97 GLU A C 1 ATOM 760 O O . GLU A 1 97 ? 46.799 -37.890 15.694 1.00 41.56 ? 97 GLU A O 1 ATOM 761 C CB . GLU A 1 97 ? 49.033 -37.802 17.220 1.00 38.96 ? 97 GLU A CB 1 ATOM 762 C CG . GLU A 1 97 ? 50.349 -37.606 17.947 1.00 43.77 ? 97 GLU A CG 1 ATOM 763 C CD . GLU A 1 97 ? 51.324 -36.700 17.202 1.00 54.29 ? 97 GLU A CD 1 ATOM 764 O OE1 . GLU A 1 97 ? 52.309 -36.266 17.840 1.00 62.56 ? 97 GLU A OE1 1 ATOM 765 O OE2 . GLU A 1 97 ? 51.120 -36.424 15.992 1.00 48.07 ? 97 GLU A OE2 1 ATOM 766 N N . LEU A 1 98 ? 46.050 -35.835 16.252 1.00 40.08 ? 98 LEU A N 1 ATOM 767 C CA . LEU A 1 98 ? 44.774 -35.976 15.559 1.00 39.45 ? 98 LEU A CA 1 ATOM 768 C C . LEU A 1 98 ? 44.934 -36.250 14.059 1.00 41.97 ? 98 LEU A C 1 ATOM 769 O O . LEU A 1 98 ? 44.236 -37.100 13.495 1.00 39.74 ? 98 LEU A O 1 ATOM 770 C CB . LEU A 1 98 ? 43.939 -34.719 15.769 1.00 36.18 ? 98 LEU A CB 1 ATOM 771 C CG . LEU A 1 98 ? 42.603 -34.659 15.045 1.00 44.85 ? 98 LEU A CG 1 ATOM 772 C CD1 . LEU A 1 98 ? 41.710 -35.808 15.503 1.00 40.91 ? 98 LEU A CD1 1 ATOM 773 C CD2 . LEU A 1 98 ? 41.944 -33.304 15.258 1.00 33.58 ? 98 LEU A CD2 1 ATOM 774 N N . GLU A 1 99 ? 45.846 -35.524 13.416 1.00 45.69 ? 99 GLU A N 1 ATOM 775 C CA . GLU A 1 99 ? 46.001 -35.614 11.969 1.00 41.38 ? 99 GLU A CA 1 ATOM 776 C C . GLU A 1 99 ? 46.587 -36.965 11.582 1.00 43.80 ? 99 GLU A C 1 ATOM 777 O O . GLU A 1 99 ? 46.195 -37.549 10.564 1.00 39.69 ? 99 GLU A O 1 ATOM 778 C CB . GLU A 1 99 ? 46.868 -34.478 11.439 1.00 38.82 ? 99 GLU A CB 1 ATOM 779 C CG . GLU A 1 99 ? 46.192 -33.114 11.450 1.00 39.73 ? 99 GLU A CG 1 ATOM 780 C CD . GLU A 1 99 ? 46.089 -32.507 12.845 1.00 51.96 ? 99 GLU A CD 1 ATOM 781 O OE1 . GLU A 1 99 ? 46.976 -32.778 13.700 1.00 52.26 ? 99 GLU A OE1 1 ATOM 782 O OE2 . GLU A 1 99 ? 45.117 -31.750 13.078 1.00 53.73 ? 99 GLU A OE2 1 ATOM 783 N N . GLU A 1 100 ? 47.500 -37.476 12.407 1.00 40.65 ? 100 GLU A N 1 ATOM 784 C CA . GLU A 1 100 ? 48.021 -38.821 12.192 1.00 40.56 ? 100 GLU A CA 1 ATOM 785 C C . GLU A 1 100 ? 46.954 -39.898 12.445 1.00 46.89 ? 100 GLU A C 1 ATOM 786 O O . GLU A 1 100 ? 46.967 -40.951 11.799 1.00 45.68 ? 100 GLU A O 1 ATOM 787 C CB . GLU A 1 100 ? 49.249 -39.065 13.066 1.00 37.98 ? 100 GLU A CB 1 ATOM 788 C CG . GLU A 1 100 ? 50.513 -38.395 12.540 1.00 46.02 ? 100 GLU A CG 1 ATOM 789 C CD . GLU A 1 100 ? 51.051 -39.054 11.268 1.00 46.75 ? 100 GLU A CD 1 ATOM 790 O OE1 . GLU A 1 100 ? 51.206 -40.292 11.265 1.00 48.84 ? 100 GLU A OE1 1 ATOM 791 O OE2 . GLU A 1 100 ? 51.321 -38.339 10.271 1.00 49.42 ? 100 GLU A OE2 1 ATOM 792 N N . LEU A 1 101 ? 46.032 -39.639 13.374 1.00 43.60 ? 101 LEU A N 1 ATOM 793 C CA . LEU A 1 101 ? 44.926 -40.562 13.622 1.00 39.15 ? 101 LEU A CA 1 ATOM 794 C C . LEU A 1 101 ? 43.998 -40.662 12.424 1.00 40.17 ? 101 LEU A C 1 ATOM 795 O O . LEU A 1 101 ? 43.618 -41.761 12.015 1.00 41.59 ? 101 LEU A O 1 ATOM 796 C CB . LEU A 1 101 ? 44.110 -40.142 14.847 1.00 46.67 ? 101 LEU A CB 1 ATOM 797 C CG . LEU A 1 101 ? 42.854 -41.001 15.053 1.00 44.63 ? 101 LEU A CG 1 ATOM 798 C CD1 . LEU A 1 101 ? 43.253 -42.433 15.393 1.00 42.84 ? 101 LEU A CD1 1 ATOM 799 C CD2 . LEU A 1 101 ? 41.937 -40.419 16.114 1.00 48.18 ? 101 LEU A CD2 1 ATOM 800 N N . LYS A 1 102 ? 43.617 -39.516 11.870 1.00 40.89 ? 102 LYS A N 1 ATOM 801 C CA . LYS A 1 102 ? 42.748 -39.512 10.697 1.00 39.85 ? 102 LYS A CA 1 ATOM 802 C C . LYS A 1 102 ? 43.404 -40.227 9.523 1.00 40.47 ? 102 LYS A C 1 ATOM 803 O O . LYS A 1 102 ? 42.728 -40.912 8.749 1.00 44.60 ? 102 LYS A O 1 ATOM 804 C CB . LYS A 1 102 ? 42.372 -38.087 10.296 1.00 41.99 ? 102 LYS A CB 1 ATOM 805 C CG . LYS A 1 102 ? 41.426 -37.397 11.270 1.00 47.13 ? 102 LYS A CG 1 ATOM 806 C CD . LYS A 1 102 ? 40.977 -36.062 10.716 1.00 46.85 ? 102 LYS A CD 1 ATOM 807 C CE . LYS A 1 102 ? 40.151 -35.295 11.719 1.00 50.86 ? 102 LYS A CE 1 ATOM 808 N NZ . LYS A 1 102 ? 39.653 -34.025 11.124 1.00 53.71 ? 102 LYS A NZ 1 ATOM 809 N N . ALA A 1 103 ? 44.720 -40.084 9.397 1.00 38.59 ? 103 ALA A N 1 ATOM 810 C CA . ALA A 1 103 ? 45.435 -40.727 8.299 1.00 39.69 ? 103 ALA A CA 1 ATOM 811 C C . ALA A 1 103 ? 45.470 -42.228 8.513 1.00 37.99 ? 103 ALA A C 1 ATOM 812 O O . ALA A 1 103 ? 45.352 -43.007 7.566 1.00 42.99 ? 103 ALA A O 1 ATOM 813 C CB . ALA A 1 103 ? 46.853 -40.166 8.161 1.00 37.53 ? 103 ALA A CB 1 ATOM 814 N N . PHE A 1 104 ? 45.624 -42.632 9.768 1.00 41.60 ? 104 PHE A N 1 ATOM 815 C CA . PHE A 1 104 ? 45.654 -44.051 10.105 1.00 43.41 ? 104 PHE A CA 1 ATOM 816 C C . PHE A 1 104 ? 44.306 -44.708 9.816 1.00 42.95 ? 104 PHE A C 1 ATOM 817 O O . PHE A 1 104 ? 44.249 -45.761 9.190 1.00 44.86 ? 104 PHE A O 1 ATOM 818 C CB . PHE A 1 104 ? 46.043 -44.255 11.571 1.00 37.77 ? 104 PHE A CB 1 ATOM 819 C CG . PHE A 1 104 ? 45.984 -45.681 12.006 1.00 44.11 ? 104 PHE A CG 1 ATOM 820 C CD1 . PHE A 1 104 ? 46.939 -46.586 11.574 1.00 46.75 ? 104 PHE A CD1 1 ATOM 821 C CD2 . PHE A 1 104 ? 44.970 -46.128 12.839 1.00 43.77 ? 104 PHE A CD2 1 ATOM 822 C CE1 . PHE A 1 104 ? 46.887 -47.914 11.967 1.00 50.14 ? 104 PHE A CE1 1 ATOM 823 C CE2 . PHE A 1 104 ? 44.914 -47.453 13.232 1.00 48.00 ? 104 PHE A CE2 1 ATOM 824 C CZ . PHE A 1 104 ? 45.876 -48.349 12.794 1.00 47.14 ? 104 PHE A CZ 1 ATOM 825 N N . ILE A 1 105 ? 43.230 -44.068 10.262 1.00 36.39 ? 105 ILE A N 1 ATOM 826 C CA . ILE A 1 105 ? 41.884 -44.574 10.052 1.00 36.31 ? 105 ILE A CA 1 ATOM 827 C C . ILE A 1 105 ? 41.548 -44.601 8.559 1.00 41.69 ? 105 ILE A C 1 ATOM 828 O O . ILE A 1 105 ? 40.960 -45.565 8.066 1.00 41.39 ? 105 ILE A O 1 ATOM 829 C CB . ILE A 1 105 ? 40.846 -43.723 10.830 1.00 41.59 ? 105 ILE A CB 1 ATOM 830 C CG1 . ILE A 1 105 ? 40.917 -44.033 12.326 1.00 37.44 ? 105 ILE A CG1 1 ATOM 831 C CG2 . ILE A 1 105 ? 39.441 -43.970 10.329 1.00 40.75 ? 105 ILE A CG2 1 ATOM 832 C CD1 . ILE A 1 105 ? 40.076 -43.110 13.160 1.00 40.58 ? 105 ILE A CD1 1 ATOM 833 N N . GLY A 1 106 ? 41.940 -43.554 7.835 1.00 44.49 ? 106 GLY A N 1 ATOM 834 C CA . GLY A 1 106 ? 41.748 -43.517 6.391 1.00 38.40 ? 106 GLY A CA 1 ATOM 835 C C . GLY A 1 106 ? 42.386 -44.697 5.667 1.00 40.87 ? 106 GLY A C 1 ATOM 836 O O . GLY A 1 106 ? 41.895 -45.133 4.632 1.00 43.15 ? 106 GLY A O 1 ATOM 837 N N . SER A 1 107 ? 43.471 -45.230 6.224 1.00 42.91 ? 107 SER A N 1 ATOM 838 C CA . SER A 1 107 ? 44.150 -46.389 5.643 1.00 39.98 ? 107 SER A CA 1 ATOM 839 C C . SER A 1 107 ? 43.477 -47.711 5.991 1.00 47.10 ? 107 SER A C 1 ATOM 840 O O . SER A 1 107 ? 44.021 -48.780 5.714 1.00 48.77 ? 107 SER A O 1 ATOM 841 C CB . SER A 1 107 ? 45.613 -46.436 6.101 1.00 40.20 ? 107 SER A CB 1 ATOM 842 O OG . SER A 1 107 ? 45.745 -46.978 7.409 1.00 42.17 ? 107 SER A OG 1 ATOM 843 N N . GLY A 1 108 ? 42.300 -47.636 6.607 1.00 48.97 ? 108 GLY A N 1 ATOM 844 C CA . GLY A 1 108 ? 41.622 -48.820 7.098 1.00 45.56 ? 108 GLY A CA 1 ATOM 845 C C . GLY A 1 108 ? 40.404 -49.234 6.302 1.00 45.23 ? 108 GLY A C 1 ATOM 846 O O . GLY A 1 108 ? 39.968 -48.537 5.391 1.00 41.57 ? 108 GLY A O 1 ATOM 847 N N . GLU A 1 109 ? 39.835 -50.368 6.691 1.00 50.31 ? 109 GLU A N 1 ATOM 848 C CA . GLU A 1 109 ? 38.818 -51.055 5.908 1.00 53.33 ? 109 GLU A CA 1 ATOM 849 C C . GLU A 1 109 ? 37.668 -51.545 6.787 1.00 53.76 ? 109 GLU A C 1 ATOM 850 O O . GLU A 1 109 ? 36.513 -51.637 6.355 1.00 51.57 ? 109 GLU A O 1 ATOM 851 C CB . GLU A 1 109 ? 39.467 -52.228 5.191 1.00 53.91 ? 109 GLU A CB 1 ATOM 852 C CG . GLU A 1 109 ? 38.663 -52.873 4.114 1.00 58.05 ? 109 GLU A CG 1 ATOM 853 C CD . GLU A 1 109 ? 39.483 -53.907 3.378 1.00 63.30 ? 109 GLU A CD 1 ATOM 854 O OE1 . GLU A 1 109 ? 39.884 -54.910 4.007 1.00 63.27 ? 109 GLU A OE1 1 ATOM 855 O OE2 . GLU A 1 109 ? 39.750 -53.704 2.177 1.00 80.15 ? 109 GLU A OE2 1 ATOM 856 N N . ARG A 1 110 ? 38.002 -51.850 8.034 1.00 47.98 ? 110 ARG A N 1 ATOM 857 C CA . ARG A 1 110 ? 37.080 -52.513 8.925 1.00 55.35 ? 110 ARG A CA 1 ATOM 858 C C . ARG A 1 110 ? 37.552 -52.380 10.376 1.00 56.11 ? 110 ARG A C 1 ATOM 859 O O . ARG A 1 110 ? 38.743 -52.498 10.666 1.00 54.33 ? 110 ARG A O 1 ATOM 860 C CB . ARG A 1 110 ? 36.947 -53.984 8.512 1.00 55.46 ? 110 ARG A CB 1 ATOM 861 C CG . ARG A 1 110 ? 36.110 -54.850 9.423 1.00 59.79 ? 110 ARG A CG 1 ATOM 862 C CD . ARG A 1 110 ? 36.269 -56.319 9.074 1.00 65.23 ? 110 ARG A CD 1 ATOM 863 N NE . ARG A 1 110 ? 36.642 -57.094 10.257 1.00 83.68 ? 110 ARG A NE 1 ATOM 864 C CZ . ARG A 1 110 ? 37.316 -58.241 10.220 1.00 84.83 ? 110 ARG A CZ 1 ATOM 865 N NH1 . ARG A 1 110 ? 37.623 -58.869 11.349 1.00 86.06 ? 110 ARG A NH1 1 ATOM 866 N NH2 . ARG A 1 110 ? 37.689 -58.756 9.052 1.00 80.65 ? 110 ARG A NH2 1 ATOM 867 N N . VAL A 1 111 ? 36.624 -52.105 11.286 1.00 46.56 ? 111 VAL A N 1 ATOM 868 C CA . VAL A 1 111 ? 36.954 -52.158 12.708 1.00 51.02 ? 111 VAL A CA 1 ATOM 869 C C . VAL A 1 111 ? 36.005 -53.111 13.432 1.00 52.30 ? 111 VAL A C 1 ATOM 870 O O . VAL A 1 111 ? 34.804 -53.134 13.163 1.00 58.00 ? 111 VAL A O 1 ATOM 871 C CB . VAL A 1 111 ? 36.905 -50.756 13.386 1.00 44.88 ? 111 VAL A CB 1 ATOM 872 C CG1 . VAL A 1 111 ? 37.967 -49.831 12.797 1.00 44.26 ? 111 VAL A CG1 1 ATOM 873 C CG2 . VAL A 1 111 ? 35.526 -50.133 13.277 1.00 42.16 ? 111 VAL A CG2 1 ATOM 874 N N . GLU A 1 112 ? 36.560 -53.928 14.319 1.00 55.70 ? 112 GLU A N 1 ATOM 875 C CA . GLU A 1 112 ? 35.762 -54.712 15.254 1.00 58.32 ? 112 GLU A CA 1 ATOM 876 C C . GLU A 1 112 ? 35.893 -54.133 16.651 1.00 54.78 ? 112 GLU A C 1 ATOM 877 O O . GLU A 1 112 ? 36.977 -54.151 17.227 1.00 54.30 ? 112 GLU A O 1 ATOM 878 C CB . GLU A 1 112 ? 36.205 -56.170 15.284 1.00 63.55 ? 112 GLU A CB 1 ATOM 879 C CG . GLU A 1 112 ? 35.907 -56.974 14.048 1.00 72.86 ? 112 GLU A CG 1 ATOM 880 C CD . GLU A 1 112 ? 36.189 -58.450 14.274 1.00 91.63 ? 112 GLU A CD 1 ATOM 881 O OE1 . GLU A 1 112 ? 36.221 -58.871 15.463 1.00 85.42 ? 112 GLU A OE1 1 ATOM 882 O OE2 . GLU A 1 112 ? 36.386 -59.180 13.272 1.00 86.81 ? 112 GLU A OE2 1 ATOM 883 N N . ARG A 1 113 ? 34.798 -53.623 17.200 1.00 45.76 ? 113 ARG A N 1 ATOM 884 C CA . ARG A 1 113 ? 34.802 -53.170 18.586 1.00 46.71 ? 113 ARG A CA 1 ATOM 885 C C . ARG A 1 113 ? 34.775 -54.368 19.529 1.00 51.60 ? 113 ARG A C 1 ATOM 886 O O . ARG A 1 113 ? 34.090 -55.361 19.267 1.00 51.58 ? 113 ARG A O 1 ATOM 887 C CB . ARG A 1 113 ? 33.616 -52.253 18.852 1.00 45.98 ? 113 ARG A CB 1 ATOM 888 C CG . ARG A 1 113 ? 33.662 -51.529 20.183 1.00 44.53 ? 113 ARG A CG 1 ATOM 889 C CD . ARG A 1 113 ? 32.683 -50.366 20.154 1.00 45.36 ? 113 ARG A CD 1 ATOM 890 N NE . ARG A 1 113 ? 32.538 -49.724 21.453 1.00 53.99 ? 113 ARG A NE 1 ATOM 891 C CZ . ARG A 1 113 ? 31.615 -50.062 22.351 1.00 57.10 ? 113 ARG A CZ 1 ATOM 892 N NH1 . ARG A 1 113 ? 30.759 -51.040 22.090 1.00 55.13 ? 113 ARG A NH1 1 ATOM 893 N NH2 . ARG A 1 113 ? 31.550 -49.425 23.510 1.00 54.28 ? 113 ARG A NH2 1 ATOM 894 N N . PHE A 1 114 ? 35.539 -54.277 20.612 1.00 47.77 ? 114 PHE A N 1 ATOM 895 C CA . PHE A 1 114 ? 35.570 -55.324 21.627 1.00 48.85 ? 114 PHE A CA 1 ATOM 896 C C . PHE A 1 114 ? 35.973 -54.728 22.974 1.00 59.97 ? 114 PHE A C 1 ATOM 897 O O . PHE A 1 114 ? 36.563 -53.645 23.033 1.00 57.04 ? 114 PHE A O 1 ATOM 898 C CB . PHE A 1 114 ? 36.532 -56.443 21.229 1.00 49.20 ? 114 PHE A CB 1 ATOM 899 C CG . PHE A 1 114 ? 37.977 -56.103 21.453 1.00 57.98 ? 114 PHE A CG 1 ATOM 900 C CD1 . PHE A 1 114 ? 38.635 -55.212 20.608 1.00 55.10 ? 114 PHE A CD1 1 ATOM 901 C CD2 . PHE A 1 114 ? 38.682 -56.675 22.501 1.00 52.63 ? 114 PHE A CD2 1 ATOM 902 C CE1 . PHE A 1 114 ? 39.965 -54.891 20.812 1.00 48.31 ? 114 PHE A CE1 1 ATOM 903 C CE2 . PHE A 1 114 ? 40.011 -56.363 22.712 1.00 51.11 ? 114 PHE A CE2 1 ATOM 904 C CZ . PHE A 1 114 ? 40.656 -55.469 21.860 1.00 54.67 ? 114 PHE A CZ 1 ATOM 905 N N . GLU A 1 115 ? 35.649 -55.427 24.058 1.00 67.36 ? 115 GLU A N 1 ATOM 906 C CA . GLU A 1 115 ? 35.972 -54.933 25.391 1.00 66.98 ? 115 GLU A CA 1 ATOM 907 C C . GLU A 1 115 ? 37.418 -55.250 25.751 1.00 66.52 ? 115 GLU A C 1 ATOM 908 O O . GLU A 1 115 ? 37.779 -56.414 25.918 1.00 69.51 ? 115 GLU A O 1 ATOM 909 C CB . GLU A 1 115 ? 35.019 -55.528 26.426 1.00 68.46 ? 115 GLU A CB 1 ATOM 910 C CG . GLU A 1 115 ? 35.099 -54.871 27.788 1.00 69.68 ? 115 GLU A CG 1 ATOM 911 C CD . GLU A 1 115 ? 34.015 -55.363 28.716 1.00 75.12 ? 115 GLU A CD 1 ATOM 912 O OE1 . GLU A 1 115 ? 33.614 -54.610 29.629 1.00 69.67 ? 115 GLU A OE1 1 ATOM 913 O OE2 . GLU A 1 115 ? 33.558 -56.508 28.519 1.00 81.23 ? 115 GLU A OE2 1 ATOM 914 N N . MET A 1 116 ? 38.239 -54.209 25.872 1.00 65.65 ? 116 MET A N 1 ATOM 915 C CA . MET A 1 116 ? 39.672 -54.373 26.110 1.00 64.54 ? 116 MET A CA 1 ATOM 916 C C . MET A 1 116 ? 39.972 -54.489 27.599 1.00 64.80 ? 116 MET A C 1 ATOM 917 O O . MET A 1 116 ? 40.643 -55.423 28.033 1.00 72.81 ? 116 MET A O 1 ATOM 918 C CB . MET A 1 116 ? 40.455 -53.203 25.500 1.00 62.96 ? 116 MET A CB 1 ATOM 919 C CG . MET A 1 116 ? 41.960 -53.433 25.377 1.00 63.39 ? 116 MET A CG 1 ATOM 920 S SD . MET A 1 116 ? 42.818 -52.103 24.492 1.00 58.68 ? 116 MET A SD 1 ATOM 921 C CE . MET A 1 116 ? 44.498 -52.730 24.470 1.00 51.91 ? 116 MET A CE 1 ATOM 922 N N . PHE A 1 117 ? 39.486 -53.526 28.375 1.00 59.04 ? 117 PHE A N 1 ATOM 923 C CA . PHE A 1 117 ? 39.591 -53.578 29.830 1.00 57.14 ? 117 PHE A CA 1 ATOM 924 C C . PHE A 1 117 ? 38.209 -53.454 30.456 1.00 60.34 ? 117 PHE A C 1 ATOM 925 O O . PHE A 1 117 ? 37.657 -52.348 30.510 1.00 58.78 ? 117 PHE A O 1 ATOM 926 C CB . PHE A 1 117 ? 40.479 -52.455 30.375 1.00 58.05 ? 117 PHE A CB 1 ATOM 927 C CG . PHE A 1 117 ? 41.918 -52.538 29.958 1.00 53.04 ? 117 PHE A CG 1 ATOM 928 C CD1 . PHE A 1 117 ? 42.803 -53.355 30.636 1.00 54.27 ? 117 PHE A CD1 1 ATOM 929 C CD2 . PHE A 1 117 ? 42.395 -51.759 28.915 1.00 52.91 ? 117 PHE A CD2 1 ATOM 930 C CE1 . PHE A 1 117 ? 44.141 -53.411 30.269 1.00 58.19 ? 117 PHE A CE1 1 ATOM 931 C CE2 . PHE A 1 117 ? 43.724 -51.814 28.539 1.00 51.55 ? 117 PHE A CE2 1 ATOM 932 C CZ . PHE A 1 117 ? 44.600 -52.638 29.218 1.00 54.68 ? 117 PHE A CZ 1 ATOM 933 N N . PRO A 1 118 ? 37.642 -54.580 30.929 1.00 72.40 ? 118 PRO A N 1 ATOM 934 C CA . PRO A 1 118 ? 36.377 -54.553 31.679 1.00 68.76 ? 118 PRO A CA 1 ATOM 935 C C . PRO A 1 118 ? 36.521 -53.641 32.893 1.00 68.79 ? 118 PRO A C 1 ATOM 936 O O . PRO A 1 118 ? 37.627 -53.560 33.429 1.00 67.85 ? 118 PRO A O 1 ATOM 937 C CB . PRO A 1 118 ? 36.178 -56.010 32.108 1.00 66.42 ? 118 PRO A CB 1 ATOM 938 C CG . PRO A 1 118 ? 37.056 -56.814 31.228 1.00 70.04 ? 118 PRO A CG 1 ATOM 939 C CD . PRO A 1 118 ? 38.214 -55.936 30.852 1.00 71.22 ? 118 PRO A CD 1 ATOM 940 N N . LYS A 1 119 ? 35.452 -52.968 33.310 1.00 66.83 ? 119 LYS A N 1 ATOM 941 C CA . LYS A 1 119 ? 35.534 -52.032 34.432 1.00 67.89 ? 119 LYS A CA 1 ATOM 942 C C . LYS A 1 119 ? 36.096 -52.701 35.687 1.00 73.62 ? 119 LYS A C 1 ATOM 943 O O . LYS A 1 119 ? 36.688 -52.043 36.547 1.00 75.62 ? 119 LYS A O 1 ATOM 944 C CB . LYS A 1 119 ? 34.161 -51.429 34.748 1.00 62.51 ? 119 LYS A CB 1 ATOM 945 C CG . LYS A 1 119 ? 33.464 -50.776 33.574 1.00 64.43 ? 119 LYS A CG 1 ATOM 946 C CD . LYS A 1 119 ? 32.712 -49.529 34.003 1.00 58.94 ? 119 LYS A CD 1 ATOM 947 C CE . LYS A 1 119 ? 31.483 -49.306 33.147 1.00 60.42 ? 119 LYS A CE 1 ATOM 948 N NZ . LYS A 1 119 ? 30.962 -47.914 33.250 1.00 71.15 ? 119 LYS A NZ 1 ATOM 949 N N . SER A 1 120 ? 35.924 -54.017 35.778 1.00 78.31 ? 120 SER A N 1 ATOM 950 C CA . SER A 1 120 ? 36.369 -54.778 36.942 1.00 81.16 ? 120 SER A CA 1 ATOM 951 C C . SER A 1 120 ? 37.868 -55.061 36.916 1.00 77.48 ? 120 SER A C 1 ATOM 952 O O . SER A 1 120 ? 38.369 -55.892 37.666 1.00 82.88 ? 120 SER A O 1 ATOM 953 C CB . SER A 1 120 ? 35.596 -56.092 37.032 1.00 82.12 ? 120 SER A CB 1 ATOM 954 O OG . SER A 1 120 ? 35.673 -56.804 35.810 1.00 84.70 ? 120 SER A OG 1 ATOM 955 N N . THR A 1 121 ? 38.577 -54.316 36.100 1.00 80.89 ? 121 THR A N 1 ATOM 956 C CA . THR A 1 121 ? 39.995 -54.497 35.942 1.00 78.68 ? 121 THR A CA 1 ATOM 957 C C . THR A 1 121 ? 40.687 -53.690 36.978 1.00 79.18 ? 121 THR A C 1 ATOM 958 O O . THR A 1 121 ? 41.732 -54.047 37.465 1.00 76.97 ? 121 THR A O 1 ATOM 959 C CB . THR A 1 121 ? 40.451 -53.941 34.596 1.00 76.14 ? 121 THR A CB 1 ATOM 960 O OG1 . THR A 1 121 ? 41.329 -54.866 33.969 1.00 73.48 ? 121 THR A OG1 1 ATOM 961 N N . TRP A 1 122 ? 40.087 -52.565 37.290 1.00 69.75 ? 122 TRP A N 1 ATOM 962 C CA . TRP A 1 122 ? 40.720 -51.554 38.135 1.00 71.38 ? 122 TRP A CA 1 ATOM 963 C C . TRP A 1 122 ? 40.295 -51.682 39.604 1.00 76.72 ? 122 TRP A C 1 ATOM 964 O O . TRP A 1 122 ? 39.182 -51.308 39.993 1.00 67.00 ? 122 TRP A O 1 ATOM 965 C CB . TRP A 1 122 ? 40.408 -50.152 37.602 1.00 69.22 ? 122 TRP A CB 1 ATOM 966 C CG . TRP A 1 122 ? 40.393 -50.074 36.095 1.00 75.38 ? 122 TRP A CG 1 ATOM 967 C CD1 . TRP A 1 122 ? 39.293 -49.950 35.294 1.00 71.97 ? 122 TRP A CD1 1 ATOM 968 C CD2 . TRP A 1 122 ? 41.526 -50.129 35.211 1.00 67.67 ? 122 TRP A CD2 1 ATOM 969 N NE1 . TRP A 1 122 ? 39.670 -49.918 33.974 1.00 68.38 ? 122 TRP A NE1 1 ATOM 970 C CE2 . TRP A 1 122 ? 41.033 -50.030 33.895 1.00 66.84 ? 122 TRP A CE2 1 ATOM 971 C CE3 . TRP A 1 122 ? 42.904 -50.252 35.406 1.00 68.10 ? 122 TRP A CE3 1 ATOM 972 C CZ2 . TRP A 1 122 ? 41.870 -50.046 32.778 1.00 65.02 ? 122 TRP A CZ2 1 ATOM 973 C CZ3 . TRP A 1 122 ? 43.736 -50.271 34.292 1.00 65.38 ? 122 TRP A CZ3 1 ATOM 974 C CH2 . TRP A 1 122 ? 43.216 -50.168 32.999 1.00 62.27 ? 122 TRP A CH2 1 ATOM 975 N N . ALA A 1 123 ? 41.217 -52.196 40.413 1.00 84.38 ? 123 ALA A N 1 ATOM 976 C CA . ALA A 1 123 ? 40.936 -52.605 41.788 1.00 82.60 ? 123 ALA A CA 1 ATOM 977 C C . ALA A 1 123 ? 40.891 -51.455 42.793 1.00 85.94 ? 123 ALA A C 1 ATOM 978 O O . ALA A 1 123 ? 41.867 -50.716 42.960 1.00 84.79 ? 123 ALA A O 1 ATOM 979 C CB . ALA A 1 123 ? 41.973 -53.634 42.237 1.00 75.77 ? 123 ALA A CB 1 ATOM 980 N N . GLY A 1 124 ? 39.756 -51.330 43.474 1.00 80.31 ? 124 GLY A N 1 ATOM 981 C CA . GLY A 1 124 ? 39.631 -50.419 44.596 1.00 78.52 ? 124 GLY A CA 1 ATOM 982 C C . GLY A 1 124 ? 39.196 -49.018 44.232 1.00 82.28 ? 124 GLY A C 1 ATOM 983 O O . GLY A 1 124 ? 39.537 -48.061 44.926 1.00 83.75 ? 124 GLY A O 1 ATOM 984 N N . VAL A 1 125 ? 38.443 -48.883 43.146 1.00 73.70 ? 125 VAL A N 1 ATOM 985 C CA . VAL A 1 125 ? 38.078 -47.553 42.657 1.00 74.32 ? 125 VAL A CA 1 ATOM 986 C C . VAL A 1 125 ? 36.693 -47.591 42.030 1.00 71.82 ? 125 VAL A C 1 ATOM 987 O O . VAL A 1 125 ? 36.167 -48.662 41.726 1.00 69.55 ? 125 VAL A O 1 ATOM 988 C CB . VAL A 1 125 ? 39.087 -47.002 41.596 1.00 69.07 ? 125 VAL A CB 1 ATOM 989 C CG1 . VAL A 1 125 ? 40.417 -46.571 42.227 1.00 67.01 ? 125 VAL A CG1 1 ATOM 990 C CG2 . VAL A 1 125 ? 39.293 -48.006 40.474 1.00 67.40 ? 125 VAL A CG2 1 ATOM 991 N N . ASP A 1 126 ? 36.113 -46.421 41.802 1.00 79.81 ? 126 ASP A N 1 ATOM 992 C CA . ASP A 1 126 ? 34.752 -46.367 41.293 1.00 84.45 ? 126 ASP A CA 1 ATOM 993 C C . ASP A 1 126 ? 34.710 -46.172 39.768 1.00 88.23 ? 126 ASP A C 1 ATOM 994 O O . ASP A 1 126 ? 35.386 -45.302 39.208 1.00 82.42 ? 126 ASP A O 1 ATOM 995 C CB . ASP A 1 126 ? 33.975 -45.259 41.998 1.00 85.84 ? 126 ASP A CB 1 ATOM 996 C CG . ASP A 1 126 ? 32.473 -45.415 41.845 1.00 97.07 ? 126 ASP A CG 1 ATOM 997 O OD1 . ASP A 1 126 ? 32.029 -46.338 41.122 1.00 92.66 ? 126 ASP A OD1 1 ATOM 998 O OD2 . ASP A 1 126 ? 31.730 -44.638 42.475 1.00 108.88 ? 126 ASP A OD2 1 ATOM 999 N N . THR A 1 127 ? 33.904 -46.998 39.106 1.00 80.77 ? 127 THR A N 1 ATOM 1000 C CA . THR A 1 127 ? 33.816 -47.006 37.654 1.00 70.63 ? 127 THR A CA 1 ATOM 1001 C C . THR A 1 127 ? 32.405 -46.713 37.158 1.00 78.42 ? 127 THR A C 1 ATOM 1002 O O . THR A 1 127 ? 32.074 -47.004 36.005 1.00 76.41 ? 127 THR A O 1 ATOM 1003 C CB . THR A 1 127 ? 34.249 -48.368 37.083 1.00 70.16 ? 127 THR A CB 1 ATOM 1004 O OG1 . THR A 1 127 ? 33.284 -49.367 37.444 1.00 71.12 ? 127 THR A OG1 1 ATOM 1005 C CG2 . THR A 1 127 ? 35.612 -48.772 37.616 1.00 67.90 ? 127 THR A CG2 1 ATOM 1006 N N . SER A 1 128 ? 31.568 -46.133 38.012 1.00 74.07 ? 128 SER A N 1 ATOM 1007 C CA . SER A 1 128 ? 30.159 -45.972 37.662 1.00 71.50 ? 128 SER A CA 1 ATOM 1008 C C . SER A 1 128 ? 29.658 -44.539 37.769 1.00 67.79 ? 128 SER A C 1 ATOM 1009 O O . SER A 1 128 ? 28.491 -44.258 37.475 1.00 63.98 ? 128 SER A O 1 ATOM 1010 C CB . SER A 1 128 ? 29.301 -46.882 38.539 1.00 75.32 ? 128 SER A CB 1 ATOM 1011 O OG . SER A 1 128 ? 29.643 -46.734 39.908 1.00 86.94 ? 128 SER A OG 1 ATOM 1012 N N . ARG A 1 129 ? 30.532 -43.630 38.185 1.00 95.05 ? 129 ARG A N 1 ATOM 1013 C CA . ARG A 1 129 ? 30.123 -42.239 38.355 1.00 102.61 ? 129 ARG A CA 1 ATOM 1014 C C . ARG A 1 129 ? 30.870 -41.299 37.421 1.00 99.50 ? 129 ARG A C 1 ATOM 1015 O O . ARG A 1 129 ? 30.768 -40.077 37.548 1.00 97.34 ? 129 ARG A O 1 ATOM 1016 C CB . ARG A 1 129 ? 30.312 -41.788 39.808 1.00 106.44 ? 129 ARG A CB 1 ATOM 1017 C CG . ARG A 1 129 ? 29.099 -41.037 40.361 1.00 116.98 ? 129 ARG A CG 1 ATOM 1018 C CD . ARG A 1 129 ? 28.997 -41.116 41.878 1.00 125.82 ? 129 ARG A CD 1 ATOM 1019 N NE . ARG A 1 129 ? 28.277 -42.308 42.324 1.00 135.30 ? 129 ARG A NE 1 ATOM 1020 C CZ . ARG A 1 129 ? 28.864 -43.357 42.890 1.00 137.51 ? 129 ARG A CZ 1 ATOM 1021 N NH1 . ARG A 1 129 ? 30.170 -43.335 43.092 1.00 131.21 ? 129 ARG A NH1 1 ATOM 1022 N NH2 . ARG A 1 129 ? 28.153 -44.416 43.262 1.00 135.88 ? 129 ARG A NH2 1 ATOM 1023 N N . GLY A 1 130 ? 31.591 -41.877 36.463 1.00 87.10 ? 130 GLY A N 1 ATOM 1024 C CA . GLY A 1 130 ? 32.315 -41.105 35.473 1.00 68.11 ? 130 GLY A CA 1 ATOM 1025 C C . GLY A 1 130 ? 31.433 -40.594 34.351 1.00 71.74 ? 130 GLY A C 1 ATOM 1026 O O . GLY A 1 130 ? 31.575 -41.015 33.202 1.00 72.38 ? 130 GLY A O 1 ATOM 1027 N N . VAL A 1 131 ? 30.522 -39.684 34.686 1.00 63.63 ? 131 VAL A N 1 ATOM 1028 C CA . VAL A 1 131 ? 29.653 -39.053 33.696 1.00 62.43 ? 131 VAL A CA 1 ATOM 1029 C C . VAL A 1 131 ? 29.770 -37.536 33.794 1.00 63.46 ? 131 VAL A C 1 ATOM 1030 O O . VAL A 1 131 ? 30.434 -37.021 34.686 1.00 67.75 ? 131 VAL A O 1 ATOM 1031 C CB . VAL A 1 131 ? 28.177 -39.464 33.881 1.00 71.39 ? 131 VAL A CB 1 ATOM 1032 C CG1 . VAL A 1 131 ? 28.002 -40.969 33.693 1.00 60.48 ? 131 VAL A CG1 1 ATOM 1033 C CG2 . VAL A 1 131 ? 27.674 -39.022 35.256 1.00 71.69 ? 131 VAL A CG2 1 ATOM 1034 N N . THR A 1 132 ? 29.111 -36.825 32.885 1.00 69.17 ? 132 THR A N 1 ATOM 1035 C CA . THR A 1 132 ? 29.198 -35.371 32.835 1.00 67.65 ? 132 THR A CA 1 ATOM 1036 C C . THR A 1 132 ? 28.122 -34.782 31.931 1.00 71.49 ? 132 THR A C 1 ATOM 1037 O O . THR A 1 132 ? 27.698 -35.413 30.964 1.00 71.86 ? 132 THR A O 1 ATOM 1038 C CB . THR A 1 132 ? 30.578 -34.909 32.337 1.00 69.82 ? 132 THR A CB 1 ATOM 1039 O OG1 . THR A 1 132 ? 30.578 -33.486 32.179 1.00 74.83 ? 132 THR A OG1 1 ATOM 1040 C CG2 . THR A 1 132 ? 30.909 -35.558 30.998 1.00 68.93 ? 132 THR A CG2 1 ATOM 1041 N N . ASN A 1 133 ? 27.687 -33.565 32.241 1.00 78.98 ? 133 ASN A N 1 ATOM 1042 C CA . ASN A 1 133 ? 26.633 -32.922 31.466 1.00 79.40 ? 133 ASN A CA 1 ATOM 1043 C C . ASN A 1 133 ? 27.170 -32.345 30.166 1.00 76.39 ? 133 ASN A C 1 ATOM 1044 O O . ASN A 1 133 ? 26.406 -31.904 29.310 1.00 74.44 ? 133 ASN A O 1 ATOM 1045 C CB . ASN A 1 133 ? 25.940 -31.829 32.292 1.00 85.29 ? 133 ASN A CB 1 ATOM 1046 C CG . ASN A 1 133 ? 26.880 -30.694 32.697 1.00 95.62 ? 133 ASN A CG 1 ATOM 1047 O OD1 . ASN A 1 133 ? 27.765 -30.284 31.940 1.00 98.08 ? 133 ASN A OD1 1 ATOM 1048 N ND2 . ASN A 1 133 ? 26.688 -30.186 33.908 1.00 97.70 ? 133 ASN A ND2 1 ATOM 1049 N N . ALA A 1 134 ? 28.493 -32.332 30.033 1.00 78.37 ? 134 ALA A N 1 ATOM 1050 C CA . ALA A 1 134 ? 29.121 -31.925 28.782 1.00 79.64 ? 134 ALA A CA 1 ATOM 1051 C C . ALA A 1 134 ? 28.890 -32.997 27.727 1.00 74.37 ? 134 ALA A C 1 ATOM 1052 O O . ALA A 1 134 ? 28.850 -32.707 26.534 1.00 70.71 ? 134 ALA A O 1 ATOM 1053 C CB . ALA A 1 134 ? 30.605 -31.676 28.974 1.00 76.58 ? 134 ALA A CB 1 ATOM 1054 N N . CYS A 1 135 ? 28.712 -34.234 28.184 1.00 70.35 ? 135 CYS A N 1 ATOM 1055 C CA . CYS A 1 135 ? 28.508 -35.364 27.290 1.00 67.16 ? 135 CYS A CA 1 ATOM 1056 C C . CYS A 1 135 ? 27.147 -36.040 27.462 1.00 68.41 ? 135 CYS A C 1 ATOM 1057 O O . CYS A 1 135 ? 27.076 -37.185 27.914 1.00 67.65 ? 135 CYS A O 1 ATOM 1058 C CB . CYS A 1 135 ? 29.618 -36.399 27.499 1.00 67.85 ? 135 CYS A CB 1 ATOM 1059 S SG . CYS A 1 135 ? 31.268 -35.837 27.007 1.00 80.66 ? 135 CYS A SG 1 ATOM 1060 N N . PRO A 1 136 ? 26.060 -35.347 27.087 1.00 57.26 ? 136 PRO A N 1 ATOM 1061 C CA . PRO A 1 136 ? 24.752 -36.008 27.136 1.00 64.23 ? 136 PRO A CA 1 ATOM 1062 C C . PRO A 1 136 ? 24.625 -37.131 26.117 1.00 68.66 ? 136 PRO A C 1 ATOM 1063 O O . PRO A 1 136 ? 25.249 -37.063 25.059 1.00 71.69 ? 136 PRO A O 1 ATOM 1064 C CB . PRO A 1 136 ? 23.778 -34.877 26.795 1.00 67.96 ? 136 PRO A CB 1 ATOM 1065 C CG . PRO A 1 136 ? 24.582 -33.925 25.979 1.00 58.98 ? 136 PRO A CG 1 ATOM 1066 C CD . PRO A 1 136 ? 25.951 -33.962 26.595 1.00 60.30 ? 136 PRO A CD 1 ATOM 1067 N N . SER A 1 137 ? 23.837 -38.155 26.431 1.00 65.65 ? 137 SER A N 1 ATOM 1068 C CA . SER A 1 137 ? 23.380 -39.076 25.402 1.00 56.52 ? 137 SER A CA 1 ATOM 1069 C C . SER A 1 137 ? 22.021 -38.568 24.927 1.00 64.03 ? 137 SER A C 1 ATOM 1070 O O . SER A 1 137 ? 21.681 -37.403 25.142 1.00 65.51 ? 137 SER A O 1 ATOM 1071 C CB . SER A 1 137 ? 23.306 -40.517 25.915 1.00 61.60 ? 137 SER A CB 1 ATOM 1072 O OG . SER A 1 137 ? 22.160 -40.748 26.715 1.00 72.11 ? 137 SER A OG 1 ATOM 1073 N N . TYR A 1 138 ? 21.246 -39.417 24.268 1.00 74.12 ? 138 TYR A N 1 ATOM 1074 C CA . TYR A 1 138 ? 19.959 -38.969 23.753 1.00 77.13 ? 138 TYR A CA 1 ATOM 1075 C C . TYR A 1 138 ? 18.874 -39.158 24.803 1.00 83.66 ? 138 TYR A C 1 ATOM 1076 O O . TYR A 1 138 ? 17.746 -38.689 24.641 1.00 80.49 ? 138 TYR A O 1 ATOM 1077 C CB . TYR A 1 138 ? 19.614 -39.704 22.455 1.00 76.81 ? 138 TYR A CB 1 ATOM 1078 C CG . TYR A 1 138 ? 20.242 -39.056 21.238 1.00 79.37 ? 138 TYR A CG 1 ATOM 1079 C CD1 . TYR A 1 138 ? 20.756 -39.823 20.197 1.00 79.94 ? 138 TYR A CD1 1 ATOM 1080 C CD2 . TYR A 1 138 ? 20.318 -37.672 21.133 1.00 75.41 ? 138 TYR A CD2 1 ATOM 1081 C CE1 . TYR A 1 138 ? 21.334 -39.224 19.084 1.00 78.00 ? 138 TYR A CE1 1 ATOM 1082 C CE2 . TYR A 1 138 ? 20.889 -37.066 20.028 1.00 82.34 ? 138 TYR A CE2 1 ATOM 1083 C CZ . TYR A 1 138 ? 21.397 -37.844 19.006 1.00 82.24 ? 138 TYR A CZ 1 ATOM 1084 O OH . TYR A 1 138 ? 21.968 -37.235 17.906 1.00 82.71 ? 138 TYR A OH 1 ATOM 1085 N N . THR A 1 139 ? 19.239 -39.823 25.896 1.00 89.67 ? 139 THR A N 1 ATOM 1086 C CA . THR A 1 139 ? 18.304 -40.099 26.977 1.00 89.60 ? 139 THR A CA 1 ATOM 1087 C C . THR A 1 139 ? 18.784 -39.526 28.316 1.00 94.76 ? 139 THR A C 1 ATOM 1088 O O . THR A 1 139 ? 17.995 -38.924 29.046 1.00 95.05 ? 139 THR A O 1 ATOM 1089 C CB . THR A 1 139 ? 18.061 -41.608 27.118 1.00 89.67 ? 139 THR A CB 1 ATOM 1090 O OG1 . THR A 1 139 ? 19.306 -42.274 27.364 1.00 94.91 ? 139 THR A OG1 1 ATOM 1091 C CG2 . THR A 1 139 ? 17.435 -42.158 25.841 1.00 83.83 ? 139 THR A CG2 1 ATOM 1092 N N . LEU A 1 140 ? 20.066 -39.708 28.634 1.00 96.90 ? 140 LEU A N 1 ATOM 1093 C CA . LEU A 1 140 ? 20.640 -39.144 29.858 1.00 94.42 ? 140 LEU A CA 1 ATOM 1094 C C . LEU A 1 140 ? 21.218 -37.758 29.600 1.00 93.02 ? 140 LEU A C 1 ATOM 1095 O O . LEU A 1 140 ? 21.711 -37.478 28.513 1.00 92.87 ? 140 LEU A O 1 ATOM 1096 C CB . LEU A 1 140 ? 21.731 -40.050 30.429 1.00 88.86 ? 140 LEU A CB 1 ATOM 1097 C CG . LEU A 1 140 ? 21.409 -41.529 30.637 1.00 99.81 ? 140 LEU A CG 1 ATOM 1098 C CD1 . LEU A 1 140 ? 22.493 -42.198 31.482 1.00 97.31 ? 140 LEU A CD1 1 ATOM 1099 C CD2 . LEU A 1 140 ? 20.040 -41.709 31.267 1.00 106.00 ? 140 LEU A CD2 1 ATOM 1100 N N . ASP A 1 141 ? 21.163 -36.892 30.603 1.00 92.32 ? 141 ASP A N 1 ATOM 1101 C CA . ASP A 1 141 ? 21.711 -35.549 30.472 1.00 90.74 ? 141 ASP A CA 1 ATOM 1102 C C . ASP A 1 141 ? 23.199 -35.552 30.796 1.00 85.93 ? 141 ASP A C 1 ATOM 1103 O O . ASP A 1 141 ? 23.925 -34.633 30.417 1.00 84.22 ? 141 ASP A O 1 ATOM 1104 C CB . ASP A 1 141 ? 20.972 -34.571 31.389 1.00 97.91 ? 141 ASP A CB 1 ATOM 1105 C CG . ASP A 1 141 ? 19.464 -34.657 31.234 1.00 108.41 ? 141 ASP A CG 1 ATOM 1106 O OD1 . ASP A 1 141 ? 19.002 -34.972 30.114 1.00 110.55 ? 141 ASP A OD1 1 ATOM 1107 O OD2 . ASP A 1 141 ? 18.742 -34.420 32.230 1.00 107.56 ? 141 ASP A OD2 1 ATOM 1108 N N . SER A 1 142 ? 23.641 -36.589 31.503 1.00 66.51 ? 142 SER A N 1 ATOM 1109 C CA . SER A 1 142 ? 25.045 -36.737 31.863 1.00 67.93 ? 142 SER A CA 1 ATOM 1110 C C . SER A 1 142 ? 25.553 -38.151 31.601 1.00 70.98 ? 142 SER A C 1 ATOM 1111 O O . SER A 1 142 ? 25.246 -39.080 32.350 1.00 73.09 ? 142 SER A O 1 ATOM 1112 C CB . SER A 1 142 ? 25.270 -36.372 33.333 1.00 66.94 ? 142 SER A CB 1 ATOM 1113 O OG . SER A 1 142 ? 24.971 -35.007 33.572 1.00 69.24 ? 142 SER A OG 1 ATOM 1114 N N . SER A 1 143 ? 26.337 -38.307 30.537 1.00 78.37 ? 143 SER A N 1 ATOM 1115 C CA . SER A 1 143 ? 26.924 -39.603 30.201 1.00 74.81 ? 143 SER A CA 1 ATOM 1116 C C . SER A 1 143 ? 28.414 -39.444 29.909 1.00 72.18 ? 143 SER A C 1 ATOM 1117 O O . SER A 1 143 ? 29.035 -38.481 30.357 1.00 74.83 ? 143 SER A O 1 ATOM 1118 C CB . SER A 1 143 ? 26.204 -40.228 29.006 1.00 64.67 ? 143 SER A CB 1 ATOM 1119 O OG . SER A 1 143 ? 26.421 -41.628 28.966 1.00 66.08 ? 143 SER A OG 1 ATOM 1120 N N . PHE A 1 144 ? 28.983 -40.383 29.160 1.00 62.73 ? 144 PHE A N 1 ATOM 1121 C CA . PHE A 1 144 ? 30.401 -40.327 28.800 1.00 59.67 ? 144 PHE A CA 1 ATOM 1122 C C . PHE A 1 144 ? 30.695 -41.192 27.580 1.00 59.80 ? 144 PHE A C 1 ATOM 1123 O O . PHE A 1 144 ? 29.838 -41.953 27.123 1.00 62.86 ? 144 PHE A O 1 ATOM 1124 C CB . PHE A 1 144 ? 31.270 -40.780 29.973 1.00 54.05 ? 144 PHE A CB 1 ATOM 1125 C CG . PHE A 1 144 ? 32.686 -40.258 29.934 1.00 52.90 ? 144 PHE A CG 1 ATOM 1126 C CD1 . PHE A 1 144 ? 32.940 -38.893 29.933 1.00 54.43 ? 144 PHE A CD1 1 ATOM 1127 C CD2 . PHE A 1 144 ? 33.763 -41.130 29.940 1.00 47.08 ? 144 PHE A CD2 1 ATOM 1128 C CE1 . PHE A 1 144 ? 34.240 -38.410 29.923 1.00 46.18 ? 144 PHE A CE1 1 ATOM 1129 C CE2 . PHE A 1 144 ? 35.064 -40.649 29.936 1.00 47.83 ? 144 PHE A CE2 1 ATOM 1130 C CZ . PHE A 1 144 ? 35.300 -39.286 29.927 1.00 41.36 ? 144 PHE A CZ 1 ATOM 1131 N N . TYR A 1 145 ? 31.916 -41.075 27.068 1.00 60.62 ? 145 TYR A N 1 ATOM 1132 C CA . TYR A 1 145 ? 32.378 -41.873 25.940 1.00 61.08 ? 145 TYR A CA 1 ATOM 1133 C C . TYR A 1 145 ? 32.250 -43.368 26.211 1.00 60.37 ? 145 TYR A C 1 ATOM 1134 O O . TYR A 1 145 ? 32.756 -43.873 27.207 1.00 60.38 ? 145 TYR A O 1 ATOM 1135 C CB . TYR A 1 145 ? 33.831 -41.528 25.615 1.00 57.76 ? 145 TYR A CB 1 ATOM 1136 C CG . TYR A 1 145 ? 34.053 -40.057 25.370 1.00 56.86 ? 145 TYR A CG 1 ATOM 1137 C CD1 . TYR A 1 145 ? 33.721 -39.480 24.153 1.00 56.20 ? 145 TYR A CD1 1 ATOM 1138 C CD2 . TYR A 1 145 ? 34.598 -39.244 26.354 1.00 56.04 ? 145 TYR A CD2 1 ATOM 1139 C CE1 . TYR A 1 145 ? 33.921 -38.133 23.923 1.00 55.56 ? 145 TYR A CE1 1 ATOM 1140 C CE2 . TYR A 1 145 ? 34.804 -37.894 26.130 1.00 55.70 ? 145 TYR A CE2 1 ATOM 1141 C CZ . TYR A 1 145 ? 34.464 -37.347 24.913 1.00 55.43 ? 145 TYR A CZ 1 ATOM 1142 O OH . TYR A 1 145 ? 34.663 -36.004 24.680 1.00 58.79 ? 145 TYR A OH 1 ATOM 1143 N N . ARG A 1 146 ? 31.580 -44.071 25.306 1.00 60.53 ? 146 ARG A N 1 ATOM 1144 C CA . ARG A 1 146 ? 31.339 -45.496 25.473 1.00 61.26 ? 146 ARG A CA 1 ATOM 1145 C C . ARG A 1 146 ? 32.618 -46.329 25.362 1.00 63.75 ? 146 ARG A C 1 ATOM 1146 O O . ARG A 1 146 ? 32.635 -47.493 25.760 1.00 66.93 ? 146 ARG A O 1 ATOM 1147 C CB . ARG A 1 146 ? 30.302 -45.972 24.451 1.00 63.30 ? 146 ARG A CB 1 ATOM 1148 C CG . ARG A 1 146 ? 29.034 -45.111 24.436 1.00 68.49 ? 146 ARG A CG 1 ATOM 1149 C CD . ARG A 1 146 ? 27.799 -45.900 24.863 1.00 76.13 ? 146 ARG A CD 1 ATOM 1150 N NE . ARG A 1 146 ? 26.638 -45.033 25.048 1.00 80.82 ? 146 ARG A NE 1 ATOM 1151 C CZ . ARG A 1 146 ? 26.297 -44.452 26.195 1.00 75.93 ? 146 ARG A CZ 1 ATOM 1152 N NH1 . ARG A 1 146 ? 27.013 -44.646 27.305 1.00 75.83 ? 146 ARG A NH1 1 ATOM 1153 N NH2 . ARG A 1 146 ? 25.222 -43.682 26.225 1.00 78.00 ? 146 ARG A NH2 1 ATOM 1154 N N . ASN A 1 147 ? 33.686 -45.737 24.829 1.00 58.71 ? 147 ASN A N 1 ATOM 1155 C CA . ASN A 1 147 ? 34.955 -46.448 24.675 1.00 58.70 ? 147 ASN A CA 1 ATOM 1156 C C . ASN A 1 147 ? 35.950 -46.100 25.773 1.00 58.70 ? 147 ASN A C 1 ATOM 1157 O O . ASN A 1 147 ? 37.043 -46.665 25.844 1.00 57.27 ? 147 ASN A O 1 ATOM 1158 C CB . ASN A 1 147 ? 35.578 -46.155 23.307 1.00 54.19 ? 147 ASN A CB 1 ATOM 1159 C CG . ASN A 1 147 ? 34.744 -46.689 22.167 1.00 56.15 ? 147 ASN A CG 1 ATOM 1160 O OD1 . ASN A 1 147 ? 34.014 -47.668 22.331 1.00 53.12 ? 147 ASN A OD1 1 ATOM 1161 N ND2 . ASN A 1 147 ? 34.846 -46.054 21.002 1.00 49.93 ? 147 ASN A ND2 1 ATOM 1162 N N . LEU A 1 148 ? 35.570 -45.161 26.627 1.00 58.85 ? 148 LEU A N 1 ATOM 1163 C CA . LEU A 1 148 ? 36.421 -44.769 27.737 1.00 60.20 ? 148 LEU A CA 1 ATOM 1164 C C . LEU A 1 148 ? 35.669 -44.904 29.063 1.00 64.15 ? 148 LEU A C 1 ATOM 1165 O O . LEU A 1 148 ? 34.438 -44.974 29.093 1.00 62.84 ? 148 LEU A O 1 ATOM 1166 C CB . LEU A 1 148 ? 36.921 -43.335 27.542 1.00 55.26 ? 148 LEU A CB 1 ATOM 1167 C CG . LEU A 1 148 ? 37.726 -43.057 26.270 1.00 58.80 ? 148 LEU A CG 1 ATOM 1168 C CD1 . LEU A 1 148 ? 37.991 -41.573 26.114 1.00 56.30 ? 148 LEU A CD1 1 ATOM 1169 C CD2 . LEU A 1 148 ? 39.036 -43.834 26.273 1.00 57.55 ? 148 LEU A CD2 1 ATOM 1170 N N . VAL A 1 149 ? 36.404 -44.951 30.163 1.00 54.01 ? 149 VAL A N 1 ATOM 1171 C CA . VAL A 1 149 ? 35.745 -44.919 31.455 1.00 61.81 ? 149 VAL A CA 1 ATOM 1172 C C . VAL A 1 149 ? 36.462 -43.971 32.410 1.00 58.21 ? 149 VAL A C 1 ATOM 1173 O O . VAL A 1 149 ? 37.633 -44.155 32.739 1.00 57.49 ? 149 VAL A O 1 ATOM 1174 C CB . VAL A 1 149 ? 35.621 -46.336 32.079 1.00 63.65 ? 149 VAL A CB 1 ATOM 1175 C CG1 . VAL A 1 149 ? 36.890 -47.147 31.884 1.00 64.31 ? 149 VAL A CG1 1 ATOM 1176 C CG2 . VAL A 1 149 ? 35.252 -46.232 33.546 1.00 67.53 ? 149 VAL A CG2 1 ATOM 1177 N N . TRP A 1 150 ? 35.733 -42.939 32.824 1.00 60.28 ? 150 TRP A N 1 ATOM 1178 C CA . TRP A 1 150 ? 36.234 -41.935 33.753 1.00 63.10 ? 150 TRP A CA 1 ATOM 1179 C C . TRP A 1 150 ? 36.248 -42.489 35.185 1.00 66.82 ? 150 TRP A C 1 ATOM 1180 O O . TRP A 1 150 ? 35.207 -42.572 35.834 1.00 71.06 ? 150 TRP A O 1 ATOM 1181 C CB . TRP A 1 150 ? 35.373 -40.669 33.657 1.00 60.65 ? 150 TRP A CB 1 ATOM 1182 C CG . TRP A 1 150 ? 35.890 -39.474 34.417 1.00 62.64 ? 150 TRP A CG 1 ATOM 1183 C CD1 . TRP A 1 150 ? 36.897 -39.451 35.345 1.00 64.56 ? 150 TRP A CD1 1 ATOM 1184 C CD2 . TRP A 1 150 ? 35.419 -38.127 34.309 1.00 58.72 ? 150 TRP A CD2 1 ATOM 1185 N NE1 . TRP A 1 150 ? 37.079 -38.174 35.817 1.00 60.04 ? 150 TRP A NE1 1 ATOM 1186 C CE2 . TRP A 1 150 ? 36.183 -37.342 35.198 1.00 63.63 ? 150 TRP A CE2 1 ATOM 1187 C CE3 . TRP A 1 150 ? 34.423 -37.507 33.548 1.00 62.53 ? 150 TRP A CE3 1 ATOM 1188 C CZ2 . TRP A 1 150 ? 35.986 -35.969 35.342 1.00 67.76 ? 150 TRP A CZ2 1 ATOM 1189 C CZ3 . TRP A 1 150 ? 34.228 -36.143 33.692 1.00 71.49 ? 150 TRP A CZ3 1 ATOM 1190 C CH2 . TRP A 1 150 ? 35.006 -35.389 34.584 1.00 70.74 ? 150 TRP A CH2 1 ATOM 1191 N N . LEU A 1 151 ? 37.434 -42.866 35.661 1.00 73.83 ? 151 LEU A N 1 ATOM 1192 C CA . LEU A 1 151 ? 37.608 -43.453 36.986 1.00 77.43 ? 151 LEU A CA 1 ATOM 1193 C C . LEU A 1 151 ? 37.701 -42.397 38.079 1.00 80.79 ? 151 LEU A C 1 ATOM 1194 O O . LEU A 1 151 ? 38.439 -41.420 37.954 1.00 83.04 ? 151 LEU A O 1 ATOM 1195 C CB . LEU A 1 151 ? 38.864 -44.324 37.021 1.00 77.99 ? 151 LEU A CB 1 ATOM 1196 C CG . LEU A 1 151 ? 38.895 -45.432 35.974 1.00 71.73 ? 151 LEU A CG 1 ATOM 1197 C CD1 . LEU A 1 151 ? 40.177 -46.235 36.051 1.00 71.11 ? 151 LEU A CD1 1 ATOM 1198 C CD2 . LEU A 1 151 ? 37.704 -46.325 36.184 1.00 81.39 ? 151 LEU A CD2 1 ATOM 1199 N N . VAL A 1 152 ? 36.955 -42.605 39.157 1.00 73.00 ? 152 VAL A N 1 ATOM 1200 C CA . VAL A 1 152 ? 36.974 -41.695 40.300 1.00 78.34 ? 152 VAL A CA 1 ATOM 1201 C C . VAL A 1 152 ? 37.200 -42.488 41.595 1.00 72.96 ? 152 VAL A C 1 ATOM 1202 O O . VAL A 1 152 ? 36.909 -43.685 41.656 1.00 71.60 ? 152 VAL A O 1 ATOM 1203 C CB . VAL A 1 152 ? 35.657 -40.876 40.374 1.00 72.88 ? 152 VAL A CB 1 ATOM 1204 C CG1 . VAL A 1 152 ? 35.679 -39.896 41.517 1.00 82.65 ? 152 VAL A CG1 1 ATOM 1205 C CG2 . VAL A 1 152 ? 35.441 -40.116 39.077 1.00 75.82 ? 152 VAL A CG2 1 ATOM 1206 N N . LYS A 1 153 ? 37.757 -41.827 42.609 1.00 70.57 ? 153 LYS A N 1 ATOM 1207 C CA . LYS A 1 153 ? 37.882 -42.405 43.948 1.00 76.14 ? 153 LYS A CA 1 ATOM 1208 C C . LYS A 1 153 ? 36.551 -42.930 44.498 1.00 74.58 ? 153 LYS A C 1 ATOM 1209 O O . LYS A 1 153 ? 35.478 -42.417 44.182 1.00 68.68 ? 153 LYS A O 1 ATOM 1210 C CB . LYS A 1 153 ? 38.442 -41.371 44.927 1.00 74.14 ? 153 LYS A CB 1 ATOM 1211 C CG . LYS A 1 153 ? 37.403 -40.344 45.384 1.00 78.77 ? 153 LYS A CG 1 ATOM 1212 C CD . LYS A 1 153 ? 38.038 -39.137 46.065 1.00 76.70 ? 153 LYS A CD 1 ATOM 1213 C CE . LYS A 1 153 ? 39.182 -39.542 46.986 1.00 80.66 ? 153 LYS A CE 1 ATOM 1214 N NZ . LYS A 1 153 ? 39.215 -38.723 48.237 1.00 82.53 ? 153 LYS A NZ 1 ATOM 1215 N N . THR A 1 154 ? 36.631 -43.950 45.343 1.00 98.31 ? 154 THR A N 1 ATOM 1216 C CA . THR A 1 154 ? 35.455 -44.402 46.078 1.00 109.41 ? 154 THR A CA 1 ATOM 1217 C C . THR A 1 154 ? 35.291 -43.741 47.413 1.00 110.74 ? 154 THR A C 1 ATOM 1218 O O . THR A 1 154 ? 36.203 -43.079 47.908 1.00 110.37 ? 154 THR A O 1 ATOM 1219 C CB . THR A 1 154 ? 35.459 -45.925 46.366 1.00 103.35 ? 154 THR A CB 1 ATOM 1220 O OG1 . THR A 1 154 ? 36.650 -46.289 47.070 1.00 105.45 ? 154 THR A OG1 1 ATOM 1221 C CG2 . THR A 1 154 ? 35.329 -46.725 45.100 1.00 96.91 ? 154 THR A CG2 1 ATOM 1222 N N . ASP A 1 155 ? 34.096 -43.924 47.969 1.00 146.54 ? 155 ASP A N 1 ATOM 1223 C CA . ASP A 1 155 ? 33.793 -43.634 49.377 1.00 151.86 ? 155 ASP A CA 1 ATOM 1224 C C . ASP A 1 155 ? 34.677 -42.589 50.128 1.00 147.19 ? 155 ASP A C 1 ATOM 1225 O O . ASP A 1 155 ? 34.178 -41.559 50.504 1.00 147.39 ? 155 ASP A O 1 ATOM 1226 C CB . ASP A 1 155 ? 33.760 -44.965 50.129 1.00 151.85 ? 155 ASP A CB 1 ATOM 1227 C CG . ASP A 1 155 ? 35.103 -45.685 50.085 1.00 154.98 ? 155 ASP A CG 1 ATOM 1228 O OD1 . ASP A 1 155 ? 36.166 -45.011 50.064 1.00 152.31 ? 155 ASP A OD1 1 ATOM 1229 O OD2 . ASP A 1 155 ? 35.108 -46.922 50.048 1.00 152.64 ? 155 ASP A OD2 1 ATOM 1230 N N . SER A 1 156 ? 35.965 -42.833 50.344 1.00 137.36 ? 156 SER A N 1 ATOM 1231 C CA . SER A 1 156 ? 36.802 -42.060 51.272 1.00 142.10 ? 156 SER A CA 1 ATOM 1232 C C . SER A 1 156 ? 38.276 -42.350 51.110 1.00 136.76 ? 156 SER A C 1 ATOM 1233 O O . SER A 1 156 ? 39.138 -41.461 51.301 1.00 134.98 ? 156 SER A O 1 ATOM 1234 C CB . SER A 1 156 ? 36.449 -42.353 52.719 1.00 147.48 ? 156 SER A CB 1 ATOM 1235 O OG . SER A 1 156 ? 35.389 -41.543 53.207 1.00 146.83 ? 156 SER A OG 1 ATOM 1236 N N . ALA A 1 157 ? 38.536 -43.619 50.848 1.00 130.28 ? 157 ALA A N 1 ATOM 1237 C CA . ALA A 1 157 ? 39.868 -44.114 50.643 1.00 126.04 ? 157 ALA A CA 1 ATOM 1238 C C . ALA A 1 157 ? 40.644 -43.324 49.619 1.00 125.42 ? 157 ALA A C 1 ATOM 1239 O O . ALA A 1 157 ? 40.060 -42.869 48.657 1.00 125.51 ? 157 ALA A O 1 ATOM 1240 C CB . ALA A 1 157 ? 39.762 -45.602 50.229 1.00 121.83 ? 157 ALA A CB 1 ATOM 1241 N N . THR A 1 158 ? 41.950 -43.179 49.820 1.00 116.65 ? 158 THR A N 1 ATOM 1242 C CA . THR A 1 158 ? 42.766 -42.567 48.793 1.00 112.98 ? 158 THR A CA 1 ATOM 1243 C C . THR A 1 158 ? 42.667 -43.419 47.523 1.00 110.45 ? 158 THR A C 1 ATOM 1244 O O . THR A 1 158 ? 42.620 -44.646 47.604 1.00 106.45 ? 158 THR A O 1 ATOM 1245 C CB . THR A 1 158 ? 44.218 -42.430 49.212 1.00 111.29 ? 158 THR A CB 1 ATOM 1246 O OG1 . THR A 1 158 ? 44.783 -43.725 49.430 1.00 107.43 ? 158 THR A OG1 1 ATOM 1247 C CG2 . THR A 1 158 ? 44.321 -41.612 50.489 1.00 103.59 ? 158 THR A CG2 1 ATOM 1248 N N . TYR A 1 159 ? 42.593 -42.765 46.363 1.00 110.20 ? 159 TYR A N 1 ATOM 1249 C CA . TYR A 1 159 ? 42.617 -43.446 45.071 1.00 100.21 ? 159 TYR A CA 1 ATOM 1250 C C . TYR A 1 159 ? 43.968 -44.159 44.974 1.00 99.40 ? 159 TYR A C 1 ATOM 1251 O O . TYR A 1 159 ? 45.014 -43.505 44.947 1.00 95.40 ? 159 TYR A O 1 ATOM 1252 C CB . TYR A 1 159 ? 42.432 -42.429 43.942 1.00 97.67 ? 159 TYR A CB 1 ATOM 1253 C CG . TYR A 1 159 ? 42.415 -42.968 42.528 1.00 96.86 ? 159 TYR A CG 1 ATOM 1254 C CD1 . TYR A 1 159 ? 41.222 -43.211 41.859 1.00 99.66 ? 159 TYR A CD1 1 ATOM 1255 C CD2 . TYR A 1 159 ? 43.607 -43.271 41.878 1.00 97.27 ? 159 TYR A CD2 1 ATOM 1256 C CE1 . TYR A 1 159 ? 41.221 -43.694 40.551 1.00 98.91 ? 159 TYR A CE1 1 ATOM 1257 C CE2 . TYR A 1 159 ? 43.624 -43.759 40.586 1.00 96.07 ? 159 TYR A CE2 1 ATOM 1258 C CZ . TYR A 1 159 ? 42.420 -43.976 39.926 1.00 94.00 ? 159 TYR A CZ 1 ATOM 1259 O OH . TYR A 1 159 ? 42.411 -44.467 38.643 1.00 97.75 ? 159 TYR A OH 1 ATOM 1260 N N . PRO A 1 160 ? 43.954 -45.503 44.953 1.00 80.14 ? 160 PRO A N 1 ATOM 1261 C CA . PRO A 1 160 ? 45.175 -46.318 44.992 1.00 74.65 ? 160 PRO A CA 1 ATOM 1262 C C . PRO A 1 160 ? 45.848 -46.476 43.633 1.00 79.13 ? 160 PRO A C 1 ATOM 1263 O O . PRO A 1 160 ? 45.381 -45.920 42.638 1.00 79.70 ? 160 PRO A O 1 ATOM 1264 C CB . PRO A 1 160 ? 44.662 -47.668 45.480 1.00 74.28 ? 160 PRO A CB 1 ATOM 1265 C CG . PRO A 1 160 ? 43.286 -47.752 44.887 1.00 75.14 ? 160 PRO A CG 1 ATOM 1266 C CD . PRO A 1 160 ? 42.740 -46.338 44.916 1.00 77.84 ? 160 PRO A CD 1 ATOM 1267 N N . VAL A 1 161 ? 46.939 -47.233 43.600 1.00 81.51 ? 161 VAL A N 1 ATOM 1268 C CA . VAL A 1 161 ? 47.559 -47.623 42.343 1.00 76.83 ? 161 VAL A CA 1 ATOM 1269 C C . VAL A 1 161 ? 46.737 -48.733 41.702 1.00 80.33 ? 161 VAL A C 1 ATOM 1270 O O . VAL A 1 161 ? 46.497 -49.777 42.319 1.00 77.87 ? 161 VAL A O 1 ATOM 1271 C CB . VAL A 1 161 ? 49.012 -48.109 42.537 1.00 74.57 ? 161 VAL A CB 1 ATOM 1272 C CG1 . VAL A 1 161 ? 49.571 -48.663 41.231 1.00 76.40 ? 161 VAL A CG1 1 ATOM 1273 C CG2 . VAL A 1 161 ? 49.890 -46.984 43.067 1.00 70.55 ? 161 VAL A CG2 1 ATOM 1274 N N . ILE A 1 162 ? 46.290 -48.503 40.471 1.00 73.58 ? 162 ILE A N 1 ATOM 1275 C CA . ILE A 1 162 ? 45.586 -49.536 39.721 1.00 71.94 ? 162 ILE A CA 1 ATOM 1276 C C . ILE A 1 162 ? 46.436 -50.014 38.549 1.00 70.75 ? 162 ILE A C 1 ATOM 1277 O O . ILE A 1 162 ? 47.325 -49.305 38.083 1.00 72.99 ? 162 ILE A O 1 ATOM 1278 C CB . ILE A 1 162 ? 44.235 -49.041 39.207 1.00 69.63 ? 162 ILE A CB 1 ATOM 1279 C CG1 . ILE A 1 162 ? 44.436 -47.970 38.139 1.00 71.54 ? 162 ILE A CG1 1 ATOM 1280 C CG2 . ILE A 1 162 ? 43.405 -48.491 40.352 1.00 70.87 ? 162 ILE A CG2 1 ATOM 1281 C CD1 . ILE A 1 162 ? 43.145 -47.344 37.669 1.00 67.88 ? 162 ILE A CD1 1 ATOM 1282 N N . LYS A 1 163 ? 46.175 -51.227 38.084 1.00 74.04 ? 163 LYS A N 1 ATOM 1283 C CA . LYS A 1 163 ? 46.956 -51.786 36.997 1.00 71.77 ? 163 LYS A CA 1 ATOM 1284 C C . LYS A 1 163 ? 46.064 -52.558 36.046 1.00 77.44 ? 163 LYS A C 1 ATOM 1285 O O . LYS A 1 163 ? 45.037 -53.104 36.449 1.00 78.89 ? 163 LYS A O 1 ATOM 1286 C CB . LYS A 1 163 ? 48.067 -52.690 37.531 1.00 74.34 ? 163 LYS A CB 1 ATOM 1287 C CG . LYS A 1 163 ? 49.208 -51.941 38.206 1.00 80.06 ? 163 LYS A CG 1 ATOM 1288 C CD . LYS A 1 163 ? 50.236 -52.903 38.784 1.00 78.52 ? 163 LYS A CD 1 ATOM 1289 C CE . LYS A 1 163 ? 51.415 -52.157 39.394 1.00 84.24 ? 163 LYS A CE 1 ATOM 1290 N NZ . LYS A 1 163 ? 52.384 -53.081 40.062 1.00 81.77 ? 163 LYS A NZ 1 ATOM 1291 N N . GLY A 1 164 ? 46.459 -52.586 34.778 1.00 70.76 ? 164 GLY A N 1 ATOM 1292 C CA . GLY A 1 164 ? 45.741 -53.327 33.761 1.00 61.91 ? 164 GLY A CA 1 ATOM 1293 C C . GLY A 1 164 ? 46.726 -53.906 32.768 1.00 64.74 ? 164 GLY A C 1 ATOM 1294 O O . GLY A 1 164 ? 47.809 -53.359 32.559 1.00 66.32 ? 164 GLY A O 1 ATOM 1295 N N . THR A 1 165 ? 46.355 -55.018 32.151 1.00 64.40 ? 165 THR A N 1 ATOM 1296 C CA . THR A 1 165 ? 47.223 -55.665 31.181 1.00 63.36 ? 165 THR A CA 1 ATOM 1297 C C . THR A 1 165 ? 46.386 -56.307 30.079 1.00 67.35 ? 165 THR A C 1 ATOM 1298 O O . THR A 1 165 ? 45.272 -56.789 30.323 1.00 64.09 ? 165 THR A O 1 ATOM 1299 C CB . THR A 1 165 ? 48.136 -56.718 31.863 1.00 67.92 ? 165 THR A CB 1 ATOM 1300 O OG1 . THR A 1 165 ? 48.975 -56.061 32.821 1.00 79.40 ? 165 THR A OG1 1 ATOM 1301 C CG2 . THR A 1 165 ? 49.021 -57.435 30.855 1.00 68.34 ? 165 THR A CG2 1 ATOM 1302 N N . TYR A 1 166 ? 46.913 -56.267 28.860 1.00 62.68 ? 166 TYR A N 1 ATOM 1303 C CA . TYR A 1 166 ? 46.289 -56.922 27.725 1.00 59.13 ? 166 TYR A CA 1 ATOM 1304 C C . TYR A 1 166 ? 47.386 -57.394 26.750 1.00 61.49 ? 166 TYR A C 1 ATOM 1305 O O . TYR A 1 166 ? 48.089 -56.569 26.173 1.00 65.22 ? 166 TYR A O 1 ATOM 1306 C CB . TYR A 1 166 ? 45.307 -55.977 27.023 1.00 56.75 ? 166 TYR A CB 1 ATOM 1307 C CG . TYR A 1 166 ? 44.509 -56.650 25.932 1.00 61.61 ? 166 TYR A CG 1 ATOM 1308 C CD1 . TYR A 1 166 ? 45.039 -56.796 24.655 1.00 61.09 ? 166 TYR A CD1 1 ATOM 1309 C CD2 . TYR A 1 166 ? 43.226 -57.135 26.172 1.00 52.67 ? 166 TYR A CD2 1 ATOM 1310 C CE1 . TYR A 1 166 ? 44.325 -57.418 23.650 1.00 56.95 ? 166 TYR A CE1 1 ATOM 1311 C CE2 . TYR A 1 166 ? 42.498 -57.758 25.166 1.00 54.36 ? 166 TYR A CE2 1 ATOM 1312 C CZ . TYR A 1 166 ? 43.059 -57.895 23.906 1.00 58.06 ? 166 TYR A CZ 1 ATOM 1313 O OH . TYR A 1 166 ? 42.360 -58.511 22.892 1.00 65.17 ? 166 TYR A OH 1 ATOM 1314 N N . ASN A 1 167 ? 47.541 -58.711 26.592 1.00 67.32 ? 167 ASN A N 1 ATOM 1315 C CA . ASN A 1 167 ? 48.416 -59.235 25.563 1.00 69.56 ? 167 ASN A CA 1 ATOM 1316 C C . ASN A 1 167 ? 47.563 -59.480 24.312 1.00 74.12 ? 167 ASN A C 1 ATOM 1317 O O . ASN A 1 167 ? 46.706 -60.349 24.310 1.00 79.26 ? 167 ASN A O 1 ATOM 1318 C CB . ASN A 1 167 ? 49.213 -60.504 26.028 1.00 69.55 ? 167 ASN A CB 1 ATOM 1319 C CG . ASN A 1 167 ? 49.925 -61.238 24.855 1.00 78.84 ? 167 ASN A CG 1 ATOM 1320 O OD1 . ASN A 1 167 ? 49.672 -60.949 23.688 1.00 82.03 ? 167 ASN A OD1 1 ATOM 1321 N ND2 . ASN A 1 167 ? 50.857 -62.152 25.146 1.00 74.58 ? 167 ASN A ND2 1 ATOM 1322 N N . ASN A 1 168 ? 47.815 -58.683 23.266 1.00 66.56 ? 168 ASN A N 1 ATOM 1323 C CA . ASN A 1 168 ? 47.219 -58.897 21.949 1.00 66.22 ? 168 ASN A CA 1 ATOM 1324 C C . ASN A 1 168 ? 47.687 -60.220 21.369 1.00 66.42 ? 168 ASN A C 1 ATOM 1325 O O . ASN A 1 168 ? 48.798 -60.318 20.850 1.00 65.03 ? 168 ASN A O 1 ATOM 1326 C CB . ASN A 1 168 ? 47.571 -57.750 20.987 1.00 60.98 ? 168 ASN A CB 1 ATOM 1327 C CG . ASN A 1 168 ? 46.845 -57.849 19.644 1.00 64.51 ? 168 ASN A CG 1 ATOM 1328 O OD1 . ASN A 1 168 ? 46.174 -58.835 19.348 1.00 67.19 ? 168 ASN A OD1 1 ATOM 1329 N ND2 . ASN A 1 168 ? 47.012 -56.826 18.809 1.00 57.82 ? 168 ASN A ND2 1 ATOM 1330 N N . THR A 1 169 ? 46.833 -61.233 21.450 1.00 70.31 ? 169 THR A N 1 ATOM 1331 C CA . THR A 1 169 ? 47.177 -62.567 20.971 1.00 74.85 ? 169 THR A CA 1 ATOM 1332 C C . THR A 1 169 ? 46.683 -62.808 19.548 1.00 74.07 ? 169 THR A C 1 ATOM 1333 O O . THR A 1 169 ? 47.072 -63.783 18.902 1.00 75.92 ? 169 THR A O 1 ATOM 1334 C CB . THR A 1 169 ? 46.596 -63.643 21.900 1.00 77.64 ? 169 THR A CB 1 ATOM 1335 O OG1 . THR A 1 169 ? 45.172 -63.492 21.972 1.00 78.27 ? 169 THR A OG1 1 ATOM 1336 C CG2 . THR A 1 169 ? 47.187 -63.508 23.299 1.00 71.74 ? 169 THR A CG2 1 ATOM 1337 N N . GLY A 1 170 ? 45.826 -61.908 19.071 1.00 69.15 ? 170 GLY A N 1 ATOM 1338 C CA . GLY A 1 170 ? 45.269 -61.996 17.736 1.00 67.18 ? 170 GLY A CA 1 ATOM 1339 C C . GLY A 1 170 ? 46.242 -61.635 16.628 1.00 65.32 ? 170 GLY A C 1 ATOM 1340 O O . GLY A 1 170 ? 47.428 -61.391 16.866 1.00 64.01 ? 170 GLY A O 1 ATOM 1341 N N . THR A 1 171 ? 45.716 -61.598 15.407 1.00 71.82 ? 171 THR A N 1 ATOM 1342 C CA . THR A 1 171 ? 46.504 -61.349 14.202 1.00 75.05 ? 171 THR A CA 1 ATOM 1343 C C . THR A 1 171 ? 46.368 -59.904 13.684 1.00 72.96 ? 171 THR A C 1 ATOM 1344 O O . THR A 1 171 ? 47.035 -59.510 12.724 1.00 72.03 ? 171 THR A O 1 ATOM 1345 C CB . THR A 1 171 ? 46.091 -62.322 13.070 1.00 80.39 ? 171 THR A CB 1 ATOM 1346 O OG1 . THR A 1 171 ? 44.660 -62.345 12.951 1.00 79.30 ? 171 THR A OG1 1 ATOM 1347 C CG2 . THR A 1 171 ? 46.585 -63.732 13.370 1.00 74.48 ? 171 THR A CG2 1 ATOM 1348 N N . GLN A 1 172 ? 45.499 -59.126 14.324 1.00 64.90 ? 172 GLN A N 1 ATOM 1349 C CA . GLN A 1 172 ? 45.186 -57.771 13.880 1.00 60.08 ? 172 GLN A CA 1 ATOM 1350 C C . GLN A 1 172 ? 45.637 -56.723 14.899 1.00 56.51 ? 172 GLN A C 1 ATOM 1351 O O . GLN A 1 172 ? 45.489 -56.924 16.095 1.00 60.42 ? 172 GLN A O 1 ATOM 1352 C CB . GLN A 1 172 ? 43.686 -57.652 13.607 1.00 63.52 ? 172 GLN A CB 1 ATOM 1353 C CG . GLN A 1 172 ? 43.187 -58.619 12.552 1.00 75.40 ? 172 GLN A CG 1 ATOM 1354 C CD . GLN A 1 172 ? 41.797 -59.170 12.917 1.00 92.51 ? 172 GLN A CD 1 ATOM 1355 O OE1 . GLN A 1 172 ? 40.804 -58.713 12.377 1.00 94.57 ? 172 GLN A OE1 1 ATOM 1356 N NE2 . GLN A 1 172 ? 41.730 -60.160 13.816 1.00 92.59 ? 172 GLN A NE2 1 ATOM 1357 N N . PRO A 1 173 ? 46.195 -55.602 14.415 1.00 50.54 ? 173 PRO A N 1 ATOM 1358 C CA . PRO A 1 173 ? 46.537 -54.504 15.324 1.00 46.37 ? 173 PRO A CA 1 ATOM 1359 C C . PRO A 1 173 ? 45.295 -53.960 16.031 1.00 45.94 ? 173 PRO A C 1 ATOM 1360 O O . PRO A 1 173 ? 44.194 -54.067 15.490 1.00 44.93 ? 173 PRO A O 1 ATOM 1361 C CB . PRO A 1 173 ? 47.149 -53.446 14.393 1.00 40.68 ? 173 PRO A CB 1 ATOM 1362 C CG . PRO A 1 173 ? 46.627 -53.771 13.051 1.00 34.51 ? 173 PRO A CG 1 ATOM 1363 C CD . PRO A 1 173 ? 46.479 -55.267 13.009 1.00 33.14 ? 173 PRO A CD 1 ATOM 1364 N N . ILE A 1 174 ? 45.479 -53.377 17.212 1.00 46.49 ? 174 ILE A N 1 ATOM 1365 C CA . ILE A 1 174 ? 44.374 -52.840 17.995 1.00 46.26 ? 174 ILE A CA 1 ATOM 1366 C C . ILE A 1 174 ? 44.490 -51.328 18.182 1.00 45.73 ? 174 ILE A C 1 ATOM 1367 O O . ILE A 1 174 ? 45.460 -50.833 18.763 1.00 45.17 ? 174 ILE A O 1 ATOM 1368 C CB . ILE A 1 174 ? 44.299 -53.525 19.387 1.00 52.90 ? 174 ILE A CB 1 ATOM 1369 C CG1 . ILE A 1 174 ? 43.812 -54.971 19.244 1.00 50.60 ? 174 ILE A CG1 1 ATOM 1370 C CG2 . ILE A 1 174 ? 43.412 -52.729 20.355 1.00 41.33 ? 174 ILE A CG2 1 ATOM 1371 C CD1 . ILE A 1 174 ? 44.039 -55.804 20.474 1.00 53.47 ? 174 ILE A CD1 1 ATOM 1372 N N . LEU A 1 175 ? 43.498 -50.599 17.685 1.00 41.58 ? 175 LEU A N 1 ATOM 1373 C CA . LEU A 1 175 ? 43.420 -49.158 17.900 1.00 45.43 ? 175 LEU A CA 1 ATOM 1374 C C . LEU A 1 175 ? 42.722 -48.847 19.224 1.00 49.29 ? 175 LEU A C 1 ATOM 1375 O O . LEU A 1 175 ? 41.564 -49.221 19.425 1.00 49.48 ? 175 LEU A O 1 ATOM 1376 C CB . LEU A 1 175 ? 42.676 -48.488 16.742 1.00 43.35 ? 175 LEU A CB 1 ATOM 1377 C CG . LEU A 1 175 ? 42.435 -46.980 16.852 1.00 44.02 ? 175 LEU A CG 1 ATOM 1378 C CD1 . LEU A 1 175 ? 43.755 -46.227 16.877 1.00 36.56 ? 175 LEU A CD1 1 ATOM 1379 C CD2 . LEU A 1 175 ? 41.549 -46.490 15.709 1.00 41.34 ? 175 LEU A CD2 1 ATOM 1380 N N . TYR A 1 176 ? 43.407 -48.166 20.134 1.00 47.27 ? 176 TYR A N 1 ATOM 1381 C CA . TYR A 1 176 ? 42.793 -47.886 21.427 1.00 44.65 ? 176 TYR A CA 1 ATOM 1382 C C . TYR A 1 176 ? 43.051 -46.467 21.907 1.00 46.52 ? 176 TYR A C 1 ATOM 1383 O O . TYR A 1 176 ? 43.942 -45.782 21.413 1.00 47.35 ? 176 TYR A O 1 ATOM 1384 C CB . TYR A 1 176 ? 43.275 -48.890 22.472 1.00 45.09 ? 176 TYR A CB 1 ATOM 1385 C CG . TYR A 1 176 ? 44.739 -48.791 22.816 1.00 44.47 ? 176 TYR A CG 1 ATOM 1386 C CD1 . TYR A 1 176 ? 45.694 -49.457 22.063 1.00 45.27 ? 176 TYR A CD1 1 ATOM 1387 C CD2 . TYR A 1 176 ? 45.166 -48.044 23.910 1.00 47.21 ? 176 TYR A CD2 1 ATOM 1388 C CE1 . TYR A 1 176 ? 47.037 -49.374 22.374 1.00 46.91 ? 176 TYR A CE1 1 ATOM 1389 C CE2 . TYR A 1 176 ? 46.506 -47.960 24.237 1.00 47.60 ? 176 TYR A CE2 1 ATOM 1390 C CZ . TYR A 1 176 ? 47.438 -48.624 23.467 1.00 51.85 ? 176 TYR A CZ 1 ATOM 1391 O OH . TYR A 1 176 ? 48.778 -48.540 23.784 1.00 54.30 ? 176 TYR A OH 1 ATOM 1392 N N . PHE A 1 177 ? 42.260 -46.043 22.887 1.00 54.83 ? 177 PHE A N 1 ATOM 1393 C CA . PHE A 1 177 ? 42.253 -44.659 23.348 1.00 54.67 ? 177 PHE A CA 1 ATOM 1394 C C . PHE A 1 177 ? 42.330 -44.566 24.874 1.00 58.82 ? 177 PHE A C 1 ATOM 1395 O O . PHE A 1 177 ? 41.877 -45.466 25.581 1.00 59.02 ? 177 PHE A O 1 ATOM 1396 C CB . PHE A 1 177 ? 40.992 -43.955 22.849 1.00 53.22 ? 177 PHE A CB 1 ATOM 1397 C CG . PHE A 1 177 ? 40.828 -44.004 21.363 1.00 56.09 ? 177 PHE A CG 1 ATOM 1398 C CD1 . PHE A 1 177 ? 40.275 -45.120 20.750 1.00 49.39 ? 177 PHE A CD1 1 ATOM 1399 C CD2 . PHE A 1 177 ? 41.233 -42.935 20.572 1.00 54.29 ? 177 PHE A CD2 1 ATOM 1400 C CE1 . PHE A 1 177 ? 40.135 -45.175 19.369 1.00 55.54 ? 177 PHE A CE1 1 ATOM 1401 C CE2 . PHE A 1 177 ? 41.091 -42.981 19.192 1.00 54.10 ? 177 PHE A CE2 1 ATOM 1402 C CZ . PHE A 1 177 ? 40.543 -44.104 18.590 1.00 52.35 ? 177 PHE A CZ 1 ATOM 1403 N N . TRP A 1 178 ? 42.909 -43.481 25.376 1.00 48.78 ? 178 TRP A N 1 ATOM 1404 C CA . TRP A 1 178 ? 42.885 -43.207 26.806 1.00 55.04 ? 178 TRP A CA 1 ATOM 1405 C C . TRP A 1 178 ? 42.996 -41.713 27.035 1.00 55.36 ? 178 TRP A C 1 ATOM 1406 O O . TRP A 1 178 ? 43.001 -40.936 26.081 1.00 51.68 ? 178 TRP A O 1 ATOM 1407 C CB . TRP A 1 178 ? 43.999 -43.961 27.540 1.00 53.14 ? 178 TRP A CB 1 ATOM 1408 C CG . TRP A 1 178 ? 45.393 -43.444 27.321 1.00 54.15 ? 178 TRP A CG 1 ATOM 1409 C CD1 . TRP A 1 178 ? 46.089 -42.599 28.134 1.00 57.49 ? 178 TRP A CD1 1 ATOM 1410 C CD2 . TRP A 1 178 ? 46.269 -43.765 26.233 1.00 50.63 ? 178 TRP A CD2 1 ATOM 1411 N NE1 . TRP A 1 178 ? 47.341 -42.366 27.617 1.00 53.27 ? 178 TRP A NE1 1 ATOM 1412 C CE2 . TRP A 1 178 ? 47.476 -43.070 26.449 1.00 57.07 ? 178 TRP A CE2 1 ATOM 1413 C CE3 . TRP A 1 178 ? 46.146 -44.564 25.091 1.00 51.90 ? 178 TRP A CE3 1 ATOM 1414 C CZ2 . TRP A 1 178 ? 48.558 -43.151 25.564 1.00 54.03 ? 178 TRP A CZ2 1 ATOM 1415 C CZ3 . TRP A 1 178 ? 47.216 -44.641 24.214 1.00 53.13 ? 178 TRP A CZ3 1 ATOM 1416 C CH2 . TRP A 1 178 ? 48.408 -43.942 24.458 1.00 51.19 ? 178 TRP A CH2 1 ATOM 1417 N N . GLY A 1 179 ? 43.068 -41.312 28.298 1.00 52.24 ? 179 GLY A N 1 ATOM 1418 C CA . GLY A 1 179 ? 43.084 -39.900 28.631 1.00 53.28 ? 179 GLY A CA 1 ATOM 1419 C C . GLY A 1 179 ? 43.673 -39.556 29.985 1.00 56.14 ? 179 GLY A C 1 ATOM 1420 O O . GLY A 1 179 ? 43.906 -40.418 30.839 1.00 54.67 ? 179 GLY A O 1 ATOM 1421 N N . VAL A 1 180 ? 43.937 -38.271 30.169 1.00 54.11 ? 180 VAL A N 1 ATOM 1422 C CA . VAL A 1 180 ? 44.420 -37.760 31.440 1.00 60.62 ? 180 VAL A CA 1 ATOM 1423 C C . VAL A 1 180 ? 43.593 -36.534 31.795 1.00 62.22 ? 180 VAL A C 1 ATOM 1424 O O . VAL A 1 180 ? 43.514 -35.589 31.004 1.00 62.47 ? 180 VAL A O 1 ATOM 1425 C CB . VAL A 1 180 ? 45.912 -37.395 31.382 1.00 60.11 ? 180 VAL A CB 1 ATOM 1426 C CG1 . VAL A 1 180 ? 46.377 -36.840 32.724 1.00 59.24 ? 180 VAL A CG1 1 ATOM 1427 C CG2 . VAL A 1 180 ? 46.742 -38.603 30.968 1.00 55.39 ? 180 VAL A CG2 1 ATOM 1428 N N . HIS A 1 181 ? 42.960 -36.550 32.965 1.00 58.90 ? 181 HIS A N 1 ATOM 1429 C CA . HIS A 1 181 ? 42.092 -35.440 33.350 1.00 64.60 ? 181 HIS A CA 1 ATOM 1430 C C . HIS A 1 181 ? 42.893 -34.287 33.950 1.00 59.63 ? 181 HIS A C 1 ATOM 1431 O O . HIS A 1 181 ? 43.812 -34.505 34.730 1.00 63.80 ? 181 HIS A O 1 ATOM 1432 C CB . HIS A 1 181 ? 41.016 -35.906 34.334 1.00 66.68 ? 181 HIS A CB 1 ATOM 1433 C CG . HIS A 1 181 ? 39.928 -34.900 34.556 1.00 67.98 ? 181 HIS A CG 1 ATOM 1434 N ND1 . HIS A 1 181 ? 39.651 -34.360 35.794 1.00 69.85 ? 181 HIS A ND1 1 ATOM 1435 C CD2 . HIS A 1 181 ? 39.055 -34.327 33.693 1.00 63.67 ? 181 HIS A CD2 1 ATOM 1436 C CE1 . HIS A 1 181 ? 38.654 -33.500 35.685 1.00 70.91 ? 181 HIS A CE1 1 ATOM 1437 N NE2 . HIS A 1 181 ? 38.274 -33.462 34.420 1.00 67.39 ? 181 HIS A NE2 1 ATOM 1438 N N . HIS A 1 182 ? 42.547 -33.065 33.554 1.00 57.83 ? 182 HIS A N 1 ATOM 1439 C CA . HIS A 1 182 ? 43.144 -31.854 34.108 1.00 61.00 ? 182 HIS A CA 1 ATOM 1440 C C . HIS A 1 182 ? 42.068 -30.950 34.705 1.00 67.72 ? 182 HIS A C 1 ATOM 1441 O O . HIS A 1 182 ? 41.468 -30.147 33.984 1.00 68.02 ? 182 HIS A O 1 ATOM 1442 C CB . HIS A 1 182 ? 43.912 -31.078 33.035 1.00 65.74 ? 182 HIS A CB 1 ATOM 1443 C CG . HIS A 1 182 ? 44.930 -31.893 32.301 1.00 64.72 ? 182 HIS A CG 1 ATOM 1444 N ND1 . HIS A 1 182 ? 46.123 -32.282 32.870 1.00 65.16 ? 182 HIS A ND1 1 ATOM 1445 C CD2 . HIS A 1 182 ? 44.937 -32.386 31.040 1.00 63.52 ? 182 HIS A CD2 1 ATOM 1446 C CE1 . HIS A 1 182 ? 46.818 -32.985 31.994 1.00 67.93 ? 182 HIS A CE1 1 ATOM 1447 N NE2 . HIS A 1 182 ? 46.120 -33.063 30.875 1.00 65.80 ? 182 HIS A NE2 1 ATOM 1448 N N . PRO A 1 183 ? 41.824 -31.073 36.022 1.00 68.73 ? 183 PRO A N 1 ATOM 1449 C CA . PRO A 1 183 ? 40.805 -30.276 36.721 1.00 69.33 ? 183 PRO A CA 1 ATOM 1450 C C . PRO A 1 183 ? 41.126 -28.781 36.747 1.00 69.57 ? 183 PRO A C 1 ATOM 1451 O O . PRO A 1 183 ? 42.286 -28.393 36.596 1.00 67.16 ? 183 PRO A O 1 ATOM 1452 C CB . PRO A 1 183 ? 40.817 -30.853 38.143 1.00 71.02 ? 183 PRO A CB 1 ATOM 1453 C CG . PRO A 1 183 ? 41.491 -32.180 38.027 1.00 71.10 ? 183 PRO A CG 1 ATOM 1454 C CD . PRO A 1 183 ? 42.491 -32.022 36.929 1.00 69.18 ? 183 PRO A CD 1 ATOM 1455 N N . LEU A 1 184 ? 40.104 -27.957 36.958 1.00 75.89 ? 184 LEU A N 1 ATOM 1456 C CA . LEU A 1 184 ? 40.276 -26.510 36.941 1.00 75.52 ? 184 LEU A CA 1 ATOM 1457 C C . LEU A 1 184 ? 40.962 -25.971 38.204 1.00 79.14 ? 184 LEU A C 1 ATOM 1458 O O . LEU A 1 184 ? 41.669 -24.964 38.139 1.00 78.40 ? 184 LEU A O 1 ATOM 1459 C CB . LEU A 1 184 ? 38.920 -25.825 36.727 1.00 78.33 ? 184 LEU A CB 1 ATOM 1460 C CG . LEU A 1 184 ? 37.822 -25.854 37.793 1.00 83.45 ? 184 LEU A CG 1 ATOM 1461 C CD1 . LEU A 1 184 ? 37.960 -24.657 38.707 1.00 84.53 ? 184 LEU A CD1 1 ATOM 1462 C CD2 . LEU A 1 184 ? 36.442 -25.877 37.153 1.00 83.88 ? 184 LEU A CD2 1 ATOM 1463 N N . ASP A 1 185 ? 40.756 -26.623 39.347 1.00 80.96 ? 185 ASP A N 1 ATOM 1464 C CA . ASP A 1 185 ? 41.462 -26.222 40.569 1.00 88.80 ? 185 ASP A CA 1 ATOM 1465 C C . ASP A 1 185 ? 41.793 -27.421 41.458 1.00 89.74 ? 185 ASP A C 1 ATOM 1466 O O . ASP A 1 185 ? 41.555 -28.571 41.079 1.00 88.17 ? 185 ASP A O 1 ATOM 1467 C CB . ASP A 1 185 ? 40.662 -25.169 41.358 1.00 84.67 ? 185 ASP A CB 1 ATOM 1468 C CG . ASP A 1 185 ? 39.264 -25.639 41.751 1.00 92.83 ? 185 ASP A CG 1 ATOM 1469 O OD1 . ASP A 1 185 ? 39.090 -26.821 42.127 1.00 90.01 ? 185 ASP A OD1 1 ATOM 1470 O OD2 . ASP A 1 185 ? 38.333 -24.803 41.705 1.00 93.90 ? 185 ASP A OD2 1 ATOM 1471 N N . THR A 1 186 ? 42.333 -27.143 42.642 1.00 77.38 ? 186 THR A N 1 ATOM 1472 C CA . THR A 1 186 ? 42.912 -28.187 43.485 1.00 77.91 ? 186 THR A CA 1 ATOM 1473 C C . THR A 1 186 ? 41.910 -28.880 44.404 1.00 75.93 ? 186 THR A C 1 ATOM 1474 O O . THR A 1 186 ? 42.220 -29.920 44.982 1.00 69.23 ? 186 THR A O 1 ATOM 1475 C CB . THR A 1 186 ? 44.045 -27.620 44.342 1.00 80.89 ? 186 THR A CB 1 ATOM 1476 O OG1 . THR A 1 186 ? 43.614 -26.388 44.933 1.00 88.36 ? 186 THR A OG1 1 ATOM 1477 C CG2 . THR A 1 186 ? 45.276 -27.359 43.480 1.00 74.78 ? 186 THR A CG2 1 ATOM 1478 N N . THR A 1 187 ? 40.715 -28.312 44.538 1.00 81.48 ? 187 THR A N 1 ATOM 1479 C CA . THR A 1 187 ? 39.677 -28.958 45.334 1.00 84.23 ? 187 THR A CA 1 ATOM 1480 C C . THR A 1 187 ? 38.948 -30.004 44.494 1.00 84.56 ? 187 THR A C 1 ATOM 1481 O O . THR A 1 187 ? 38.703 -31.118 44.968 1.00 83.56 ? 187 THR A O 1 ATOM 1482 C CB . THR A 1 187 ? 38.657 -27.942 45.921 1.00 85.85 ? 187 THR A CB 1 ATOM 1483 O OG1 . THR A 1 187 ? 38.286 -26.982 44.924 1.00 90.47 ? 187 THR A OG1 1 ATOM 1484 C CG2 . THR A 1 187 ? 39.256 -27.216 47.117 1.00 84.20 ? 187 THR A CG2 1 ATOM 1485 N N . VAL A 1 188 ? 38.614 -29.653 43.251 1.00 80.75 ? 188 VAL A N 1 ATOM 1486 C CA . VAL A 1 188 ? 38.035 -30.616 42.310 1.00 78.52 ? 188 VAL A CA 1 ATOM 1487 C C . VAL A 1 188 ? 38.969 -31.818 42.152 1.00 74.10 ? 188 VAL A C 1 ATOM 1488 O O . VAL A 1 188 ? 38.523 -32.967 42.112 1.00 73.89 ? 188 VAL A O 1 ATOM 1489 C CB . VAL A 1 188 ? 37.764 -29.981 40.929 1.00 78.48 ? 188 VAL A CB 1 ATOM 1490 C CG1 . VAL A 1 188 ? 37.447 -31.057 39.888 1.00 73.32 ? 188 VAL A CG1 1 ATOM 1491 C CG2 . VAL A 1 188 ? 36.630 -28.968 41.021 1.00 78.50 ? 188 VAL A CG2 1 ATOM 1492 N N . GLN A 1 189 ? 40.269 -31.543 42.091 1.00 72.65 ? 189 GLN A N 1 ATOM 1493 C CA . GLN A 1 189 ? 41.285 -32.592 42.088 1.00 72.74 ? 189 GLN A CA 1 ATOM 1494 C C . GLN A 1 189 ? 41.170 -33.524 43.290 1.00 73.69 ? 189 GLN A C 1 ATOM 1495 O O . GLN A 1 189 ? 41.242 -34.742 43.138 1.00 72.09 ? 189 GLN A O 1 ATOM 1496 C CB . GLN A 1 189 ? 42.690 -31.978 42.053 1.00 73.76 ? 189 GLN A CB 1 ATOM 1497 C CG . GLN A 1 189 ? 43.826 -32.981 42.250 1.00 69.63 ? 189 GLN A CG 1 ATOM 1498 C CD . GLN A 1 189 ? 44.060 -33.863 41.030 1.00 72.47 ? 189 GLN A CD 1 ATOM 1499 O OE1 . GLN A 1 189 ? 43.517 -33.612 39.953 1.00 71.50 ? 189 GLN A OE1 1 ATOM 1500 N NE2 . GLN A 1 189 ? 44.872 -34.902 41.195 1.00 68.88 ? 189 GLN A NE2 1 ATOM 1501 N N . ASP A 1 190 ? 40.991 -32.956 44.484 1.00 83.35 ? 190 ASP A N 1 ATOM 1502 C CA . ASP A 1 190 ? 40.944 -33.772 45.698 1.00 81.97 ? 190 ASP A CA 1 ATOM 1503 C C . ASP A 1 190 ? 39.598 -34.481 45.840 1.00 76.79 ? 190 ASP A C 1 ATOM 1504 O O . ASP A 1 190 ? 39.547 -35.639 46.241 1.00 74.99 ? 190 ASP A O 1 ATOM 1505 C CB . ASP A 1 190 ? 41.233 -32.927 46.941 1.00 87.46 ? 190 ASP A CB 1 ATOM 1506 C CG . ASP A 1 190 ? 41.706 -33.771 48.122 1.00 98.65 ? 190 ASP A CG 1 ATOM 1507 O OD1 . ASP A 1 190 ? 40.899 -34.559 48.673 1.00 96.50 ? 190 ASP A OD1 1 ATOM 1508 O OD2 . ASP A 1 190 ? 42.896 -33.653 48.493 1.00 103.49 ? 190 ASP A OD2 1 ATOM 1509 N N . ASN A 1 191 ? 38.514 -33.792 45.494 1.00 78.49 ? 191 ASN A N 1 ATOM 1510 C CA . ASN A 1 191 ? 37.189 -34.412 45.469 1.00 85.56 ? 191 ASN A CA 1 ATOM 1511 C C . ASN A 1 191 ? 37.140 -35.694 44.635 1.00 89.68 ? 191 ASN A C 1 ATOM 1512 O O . ASN A 1 191 ? 36.371 -36.607 44.939 1.00 95.03 ? 191 ASN A O 1 ATOM 1513 C CB . ASN A 1 191 ? 36.141 -33.436 44.923 1.00 88.92 ? 191 ASN A CB 1 ATOM 1514 C CG . ASN A 1 191 ? 35.937 -32.232 45.816 1.00 95.90 ? 191 ASN A CG 1 ATOM 1515 O OD1 . ASN A 1 191 ? 36.229 -32.266 47.015 1.00 97.30 ? 191 ASN A OD1 1 ATOM 1516 N ND2 . ASN A 1 191 ? 35.415 -31.155 45.234 1.00 100.48 ? 191 ASN A ND2 1 ATOM 1517 N N . LEU A 1 192 ? 37.957 -35.753 43.583 1.00 80.79 ? 192 LEU A N 1 ATOM 1518 C CA . LEU A 1 192 ? 37.899 -36.852 42.625 1.00 75.38 ? 192 LEU A CA 1 ATOM 1519 C C . LEU A 1 192 ? 38.999 -37.901 42.809 1.00 70.80 ? 192 LEU A C 1 ATOM 1520 O O . LEU A 1 192 ? 38.736 -39.096 42.698 1.00 68.56 ? 192 LEU A O 1 ATOM 1521 C CB . LEU A 1 192 ? 37.954 -36.299 41.198 1.00 73.54 ? 192 LEU A CB 1 ATOM 1522 C CG . LEU A 1 192 ? 36.626 -36.101 40.459 1.00 77.86 ? 192 LEU A CG 1 ATOM 1523 C CD1 . LEU A 1 192 ? 35.627 -35.327 41.301 1.00 79.00 ? 192 LEU A CD1 1 ATOM 1524 C CD2 . LEU A 1 192 ? 36.860 -35.386 39.137 1.00 75.44 ? 192 LEU A CD2 1 ATOM 1525 N N . TYR A 1 193 ? 40.224 -37.467 43.089 1.00 76.65 ? 193 TYR A N 1 ATOM 1526 C CA . TYR A 1 193 ? 41.360 -38.392 43.078 1.00 77.86 ? 193 TYR A CA 1 ATOM 1527 C C . TYR A 1 193 ? 42.141 -38.400 44.391 1.00 84.91 ? 193 TYR A C 1 ATOM 1528 O O . TYR A 1 193 ? 43.077 -39.184 44.559 1.00 86.35 ? 193 TYR A O 1 ATOM 1529 C CB . TYR A 1 193 ? 42.301 -38.052 41.910 1.00 77.18 ? 193 TYR A CB 1 ATOM 1530 C CG . TYR A 1 193 ? 41.568 -37.756 40.616 1.00 73.25 ? 193 TYR A CG 1 ATOM 1531 C CD1 . TYR A 1 193 ? 41.011 -38.780 39.859 1.00 70.88 ? 193 TYR A CD1 1 ATOM 1532 C CD2 . TYR A 1 193 ? 41.418 -36.450 40.161 1.00 73.12 ? 193 TYR A CD2 1 ATOM 1533 C CE1 . TYR A 1 193 ? 40.328 -38.514 38.683 1.00 69.88 ? 193 TYR A CE1 1 ATOM 1534 C CE2 . TYR A 1 193 ? 40.737 -36.175 38.987 1.00 74.88 ? 193 TYR A CE2 1 ATOM 1535 C CZ . TYR A 1 193 ? 40.198 -37.210 38.249 1.00 71.77 ? 193 TYR A CZ 1 ATOM 1536 O OH . TYR A 1 193 ? 39.525 -36.936 37.080 1.00 65.52 ? 193 TYR A OH 1 ATOM 1537 N N . GLY A 1 194 ? 41.750 -37.531 45.319 1.00 93.84 ? 194 GLY A N 1 ATOM 1538 C CA . GLY A 1 194 ? 42.417 -37.438 46.605 1.00 91.76 ? 194 GLY A CA 1 ATOM 1539 C C . GLY A 1 194 ? 43.680 -36.603 46.533 1.00 94.80 ? 194 GLY A C 1 ATOM 1540 O O . GLY A 1 194 ? 43.927 -35.923 45.537 1.00 96.90 ? 194 GLY A O 1 ATOM 1541 N N . SER A 1 195 ? 44.488 -36.655 47.586 1.00 83.24 ? 195 SER A N 1 ATOM 1542 C CA . SER A 1 195 ? 45.709 -35.861 47.632 1.00 85.58 ? 195 SER A CA 1 ATOM 1543 C C . SER A 1 195 ? 46.897 -36.669 47.127 1.00 79.66 ? 195 SER A C 1 ATOM 1544 O O . SER A 1 195 ? 46.812 -37.891 46.972 1.00 72.85 ? 195 SER A O 1 ATOM 1545 C CB . SER A 1 195 ? 45.977 -35.348 49.057 1.00 89.81 ? 195 SER A CB 1 ATOM 1546 O OG . SER A 1 195 ? 46.106 -36.409 49.989 1.00 81.17 ? 195 SER A OG 1 ATOM 1547 N N . GLY A 1 196 ? 48.004 -35.979 46.870 1.00 76.31 ? 196 GLY A N 1 ATOM 1548 C CA . GLY A 1 196 ? 49.216 -36.631 46.411 1.00 82.54 ? 196 GLY A CA 1 ATOM 1549 C C . GLY A 1 196 ? 49.524 -36.353 44.951 1.00 85.46 ? 196 GLY A C 1 ATOM 1550 O O . GLY A 1 196 ? 48.658 -35.922 44.188 1.00 77.89 ? 196 GLY A O 1 ATOM 1551 N N . ASP A 1 197 ? 50.770 -36.600 44.564 1.00 98.18 ? 197 ASP A N 1 ATOM 1552 C CA . ASP A 1 197 ? 51.198 -36.409 43.187 1.00 96.84 ? 197 ASP A CA 1 ATOM 1553 C C . ASP A 1 197 ? 50.767 -37.593 42.323 1.00 93.53 ? 197 ASP A C 1 ATOM 1554 O O . ASP A 1 197 ? 51.204 -38.726 42.536 1.00 90.89 ? 197 ASP A O 1 ATOM 1555 C CB . ASP A 1 197 ? 52.714 -36.206 43.122 1.00 95.92 ? 197 ASP A CB 1 ATOM 1556 C CG . ASP A 1 197 ? 53.151 -34.907 43.780 1.00 108.16 ? 197 ASP A CG 1 ATOM 1557 O OD1 . ASP A 1 197 ? 52.376 -33.927 43.715 1.00 110.96 ? 197 ASP A OD1 1 ATOM 1558 O OD2 . ASP A 1 197 ? 54.260 -34.863 44.360 1.00 110.24 ? 197 ASP A OD2 1 ATOM 1559 N N . LYS A 1 198 ? 49.906 -37.316 41.348 1.00 79.04 ? 198 LYS A N 1 ATOM 1560 C CA . LYS A 1 198 ? 49.317 -38.363 40.521 1.00 78.77 ? 198 LYS A CA 1 ATOM 1561 C C . LYS A 1 198 ? 50.027 -38.534 39.176 1.00 74.06 ? 198 LYS A C 1 ATOM 1562 O O . LYS A 1 198 ? 50.714 -37.631 38.697 1.00 70.74 ? 198 LYS A O 1 ATOM 1563 C CB . LYS A 1 198 ? 47.832 -38.078 40.283 1.00 78.74 ? 198 LYS A CB 1 ATOM 1564 C CG . LYS A 1 198 ? 47.020 -37.853 41.547 1.00 82.19 ? 198 LYS A CG 1 ATOM 1565 C CD . LYS A 1 198 ? 47.138 -39.034 42.494 1.00 80.66 ? 198 LYS A CD 1 ATOM 1566 C CE . LYS A 1 198 ? 46.164 -38.925 43.661 1.00 84.83 ? 198 LYS A CE 1 ATOM 1567 N NZ . LYS A 1 198 ? 46.134 -40.163 44.508 1.00 89.62 ? 198 LYS A NZ 1 ATOM 1568 N N . TYR A 1 199 ? 49.846 -39.704 38.572 1.00 75.57 ? 199 TYR A N 1 ATOM 1569 C CA . TYR A 1 199 ? 50.468 -40.012 37.294 1.00 69.42 ? 199 TYR A CA 1 ATOM 1570 C C . TYR A 1 199 ? 49.638 -40.994 36.474 1.00 73.20 ? 199 TYR A C 1 ATOM 1571 O O . TYR A 1 199 ? 48.877 -41.802 37.014 1.00 76.43 ? 199 TYR A O 1 ATOM 1572 C CB . TYR A 1 199 ? 51.874 -40.576 37.504 1.00 67.86 ? 199 TYR A CB 1 ATOM 1573 C CG . TYR A 1 199 ? 51.920 -41.898 38.247 1.00 78.55 ? 199 TYR A CG 1 ATOM 1574 C CD1 . TYR A 1 199 ? 52.035 -41.940 39.636 1.00 81.37 ? 199 TYR A CD1 1 ATOM 1575 C CD2 . TYR A 1 199 ? 51.866 -43.107 37.560 1.00 76.50 ? 199 TYR A CD2 1 ATOM 1576 C CE1 . TYR A 1 199 ? 52.083 -43.146 40.320 1.00 76.88 ? 199 TYR A CE1 1 ATOM 1577 C CE2 . TYR A 1 199 ? 51.916 -44.318 38.235 1.00 82.71 ? 199 TYR A CE2 1 ATOM 1578 C CZ . TYR A 1 199 ? 52.022 -44.331 39.616 1.00 83.32 ? 199 TYR A CZ 1 ATOM 1579 O OH . TYR A 1 199 ? 52.070 -45.535 40.284 1.00 85.77 ? 199 TYR A OH 1 ATOM 1580 N N . VAL A 1 200 ? 49.784 -40.901 35.158 1.00 63.60 ? 200 VAL A N 1 ATOM 1581 C CA . VAL A 1 200 ? 49.265 -41.906 34.246 1.00 56.72 ? 200 VAL A CA 1 ATOM 1582 C C . VAL A 1 200 ? 50.429 -42.446 33.442 1.00 59.15 ? 200 VAL A C 1 ATOM 1583 O O . VAL A 1 200 ? 51.038 -41.717 32.660 1.00 58.93 ? 200 VAL A O 1 ATOM 1584 C CB . VAL A 1 200 ? 48.201 -41.344 33.292 1.00 57.57 ? 200 VAL A CB 1 ATOM 1585 C CG1 . VAL A 1 200 ? 47.808 -42.395 32.252 1.00 53.69 ? 200 VAL A CG1 1 ATOM 1586 C CG2 . VAL A 1 200 ? 46.985 -40.873 34.073 1.00 55.61 ? 200 VAL A CG2 1 ATOM 1587 N N . ARG A 1 201 ? 50.757 -43.714 33.648 1.00 61.39 ? 201 ARG A N 1 ATOM 1588 C CA . ARG A 1 201 ? 51.855 -44.319 32.916 1.00 63.02 ? 201 ARG A CA 1 ATOM 1589 C C . ARG A 1 201 ? 51.391 -45.529 32.117 1.00 62.88 ? 201 ARG A C 1 ATOM 1590 O O . ARG A 1 201 ? 50.632 -46.361 32.603 1.00 64.52 ? 201 ARG A O 1 ATOM 1591 C CB . ARG A 1 201 ? 52.989 -44.690 33.870 1.00 61.41 ? 201 ARG A CB 1 ATOM 1592 C CG . ARG A 1 201 ? 53.780 -43.472 34.320 1.00 63.57 ? 201 ARG A CG 1 ATOM 1593 C CD . ARG A 1 201 ? 54.622 -43.736 35.554 1.00 68.61 ? 201 ARG A CD 1 ATOM 1594 N NE . ARG A 1 201 ? 55.081 -42.478 36.142 1.00 74.29 ? 201 ARG A NE 1 ATOM 1595 C CZ . ARG A 1 201 ? 55.296 -42.284 37.442 1.00 76.61 ? 201 ARG A CZ 1 ATOM 1596 N NH1 . ARG A 1 201 ? 55.093 -43.269 38.311 1.00 73.71 ? 201 ARG A NH1 1 ATOM 1597 N NH2 . ARG A 1 201 ? 55.709 -41.099 37.876 1.00 72.83 ? 201 ARG A NH2 1 ATOM 1598 N N . MET A 1 202 ? 51.846 -45.602 30.875 1.00 70.47 ? 202 MET A N 1 ATOM 1599 C CA . MET A 1 202 ? 51.470 -46.686 29.984 1.00 73.22 ? 202 MET A CA 1 ATOM 1600 C C . MET A 1 202 ? 52.694 -47.165 29.230 1.00 69.64 ? 202 MET A C 1 ATOM 1601 O O . MET A 1 202 ? 53.647 -46.413 29.045 1.00 73.39 ? 202 MET A O 1 ATOM 1602 C CB . MET A 1 202 ? 50.383 -46.229 29.015 1.00 75.97 ? 202 MET A CB 1 ATOM 1603 C CG . MET A 1 202 ? 49.161 -47.116 29.021 1.00 84.23 ? 202 MET A CG 1 ATOM 1604 S SD . MET A 1 202 ? 47.684 -46.248 28.475 1.00 92.76 ? 202 MET A SD 1 ATOM 1605 C CE . MET A 1 202 ? 47.267 -45.377 29.961 1.00 69.30 ? 202 MET A CE 1 ATOM 1606 N N . GLY A 1 203 ? 52.678 -48.415 28.796 1.00 55.22 ? 203 GLY A N 1 ATOM 1607 C CA . GLY A 1 203 ? 53.839 -48.965 28.131 1.00 51.75 ? 203 GLY A CA 1 ATOM 1608 C C . GLY A 1 203 ? 53.559 -50.249 27.389 1.00 54.21 ? 203 GLY A C 1 ATOM 1609 O O . GLY A 1 203 ? 52.732 -51.058 27.806 1.00 59.49 ? 203 GLY A O 1 ATOM 1610 N N . THR A 1 204 ? 54.244 -50.417 26.266 1.00 54.88 ? 204 THR A N 1 ATOM 1611 C CA . THR A 1 204 ? 54.244 -51.669 25.525 1.00 56.51 ? 204 THR A CA 1 ATOM 1612 C C . THR A 1 204 ? 55.692 -52.015 25.269 1.00 54.55 ? 204 THR A C 1 ATOM 1613 O O . THR A 1 204 ? 56.587 -51.362 25.798 1.00 60.70 ? 204 THR A O 1 ATOM 1614 C CB . THR A 1 204 ? 53.486 -51.581 24.172 1.00 54.36 ? 204 THR A CB 1 ATOM 1615 O OG1 . THR A 1 204 ? 54.207 -50.734 23.266 1.00 56.34 ? 204 THR A OG1 1 ATOM 1616 C CG2 . THR A 1 204 ? 52.091 -51.037 24.364 1.00 51.57 ? 204 THR A CG2 1 ATOM 1617 N N . GLU A 1 205 ? 55.919 -53.023 24.441 1.00 61.15 ? 205 GLU A N 1 ATOM 1618 C CA . GLU A 1 205 ? 57.266 -53.387 24.036 1.00 63.39 ? 205 GLU A CA 1 ATOM 1619 C C . GLU A 1 205 ? 57.961 -52.242 23.283 1.00 68.38 ? 205 GLU A C 1 ATOM 1620 O O . GLU A 1 205 ? 59.178 -52.089 23.368 1.00 71.42 ? 205 GLU A O 1 ATOM 1621 C CB . GLU A 1 205 ? 57.235 -54.651 23.168 1.00 61.13 ? 205 GLU A CB 1 ATOM 1622 C CG . GLU A 1 205 ? 57.067 -55.962 23.943 1.00 60.40 ? 205 GLU A CG 1 ATOM 1623 C CD . GLU A 1 205 ? 55.614 -56.337 24.201 1.00 69.63 ? 205 GLU A CD 1 ATOM 1624 O OE1 . GLU A 1 205 ? 55.359 -57.490 24.619 1.00 70.83 ? 205 GLU A OE1 1 ATOM 1625 O OE2 . GLU A 1 205 ? 54.723 -55.488 23.984 1.00 71.46 ? 205 GLU A OE2 1 ATOM 1626 N N . SER A 1 206 ? 57.188 -51.429 22.565 1.00 72.71 ? 206 SER A N 1 ATOM 1627 C CA . SER A 1 206 ? 57.768 -50.426 21.673 1.00 73.47 ? 206 SER A CA 1 ATOM 1628 C C . SER A 1 206 ? 57.335 -48.988 21.964 1.00 73.59 ? 206 SER A C 1 ATOM 1629 O O . SER A 1 206 ? 57.688 -48.071 21.219 1.00 77.69 ? 206 SER A O 1 ATOM 1630 C CB . SER A 1 206 ? 57.420 -50.761 20.218 1.00 72.64 ? 206 SER A CB 1 ATOM 1631 O OG . SER A 1 206 ? 56.046 -50.529 19.954 1.00 77.35 ? 206 SER A OG 1 ATOM 1632 N N . MET A 1 207 ? 56.574 -48.790 23.035 1.00 65.30 ? 207 MET A N 1 ATOM 1633 C CA . MET A 1 207 ? 56.028 -47.472 23.343 1.00 66.94 ? 207 MET A CA 1 ATOM 1634 C C . MET A 1 207 ? 55.980 -47.215 24.847 1.00 61.77 ? 207 MET A C 1 ATOM 1635 O O . MET A 1 207 ? 55.574 -48.078 25.607 1.00 62.21 ? 207 MET A O 1 ATOM 1636 C CB . MET A 1 207 ? 54.621 -47.332 22.741 1.00 65.10 ? 207 MET A CB 1 ATOM 1637 C CG . MET A 1 207 ? 53.943 -45.994 23.016 1.00 66.84 ? 207 MET A CG 1 ATOM 1638 S SD . MET A 1 207 ? 53.012 -45.935 24.566 1.00 70.17 ? 207 MET A SD 1 ATOM 1639 C CE . MET A 1 207 ? 51.580 -46.932 24.171 1.00 68.18 ? 207 MET A CE 1 ATOM 1640 N N . ASN A 1 208 ? 56.393 -46.023 25.265 1.00 73.26 ? 208 ASN A N 1 ATOM 1641 C CA . ASN A 1 208 ? 56.233 -45.585 26.650 1.00 74.78 ? 208 ASN A CA 1 ATOM 1642 C C . ASN A 1 208 ? 55.381 -44.330 26.712 1.00 74.85 ? 208 ASN A C 1 ATOM 1643 O O . ASN A 1 208 ? 55.424 -43.493 25.808 1.00 69.25 ? 208 ASN A O 1 ATOM 1644 C CB . ASN A 1 208 ? 57.583 -45.301 27.315 1.00 71.54 ? 208 ASN A CB 1 ATOM 1645 C CG . ASN A 1 208 ? 58.572 -46.429 27.142 1.00 85.56 ? 208 ASN A CG 1 ATOM 1646 O OD1 . ASN A 1 208 ? 58.197 -47.605 27.093 1.00 88.99 ? 208 ASN A OD1 1 ATOM 1647 N ND2 . ASN A 1 208 ? 59.853 -46.078 27.044 1.00 86.07 ? 208 ASN A ND2 1 ATOM 1648 N N . PHE A 1 209 ? 54.621 -44.193 27.790 1.00 58.97 ? 209 PHE A N 1 ATOM 1649 C CA . PHE A 1 209 ? 53.816 -43.006 28.003 1.00 52.91 ? 209 PHE A CA 1 ATOM 1650 C C . PHE A 1 209 ? 53.796 -42.670 29.479 1.00 56.38 ? 209 PHE A C 1 ATOM 1651 O O . PHE A 1 209 ? 53.653 -43.557 30.323 1.00 60.06 ? 209 PHE A O 1 ATOM 1652 C CB . PHE A 1 209 ? 52.393 -43.208 27.484 1.00 50.77 ? 209 PHE A CB 1 ATOM 1653 C CG . PHE A 1 209 ? 51.476 -42.046 27.763 1.00 55.22 ? 209 PHE A CG 1 ATOM 1654 C CD1 . PHE A 1 209 ? 50.692 -42.019 28.912 1.00 52.50 ? 209 PHE A CD1 1 ATOM 1655 C CD2 . PHE A 1 209 ? 51.394 -40.985 26.879 1.00 47.50 ? 209 PHE A CD2 1 ATOM 1656 C CE1 . PHE A 1 209 ? 49.850 -40.956 29.174 1.00 48.66 ? 209 PHE A CE1 1 ATOM 1657 C CE2 . PHE A 1 209 ? 50.552 -39.918 27.134 1.00 53.48 ? 209 PHE A CE2 1 ATOM 1658 C CZ . PHE A 1 209 ? 49.778 -39.904 28.288 1.00 55.06 ? 209 PHE A CZ 1 ATOM 1659 N N . ALA A 1 210 ? 53.933 -41.384 29.782 1.00 56.09 ? 210 ALA A N 1 ATOM 1660 C CA . ALA A 1 210 ? 53.901 -40.905 31.158 1.00 56.71 ? 210 ALA A CA 1 ATOM 1661 C C . ALA A 1 210 ? 53.453 -39.457 31.193 1.00 55.48 ? 210 ALA A C 1 ATOM 1662 O O . ALA A 1 210 ? 54.054 -38.598 30.555 1.00 56.03 ? 210 ALA A O 1 ATOM 1663 C CB . ALA A 1 210 ? 55.259 -41.053 31.807 1.00 51.88 ? 210 ALA A CB 1 ATOM 1664 N N . LYS A 1 211 ? 52.390 -39.184 31.938 1.00 64.51 ? 211 LYS A N 1 ATOM 1665 C CA . LYS A 1 211 ? 51.918 -37.817 32.074 1.00 63.61 ? 211 LYS A CA 1 ATOM 1666 C C . LYS A 1 211 ? 51.303 -37.547 33.445 1.00 67.95 ? 211 LYS A C 1 ATOM 1667 O O . LYS A 1 211 ? 50.789 -38.452 34.102 1.00 66.96 ? 211 LYS A O 1 ATOM 1668 C CB . LYS A 1 211 ? 50.907 -37.499 30.977 1.00 64.26 ? 211 LYS A CB 1 ATOM 1669 C CG . LYS A 1 211 ? 50.974 -36.060 30.515 1.00 68.26 ? 211 LYS A CG 1 ATOM 1670 C CD . LYS A 1 211 ? 49.676 -35.611 29.896 1.00 68.84 ? 211 LYS A CD 1 ATOM 1671 C CE . LYS A 1 211 ? 49.663 -34.102 29.748 1.00 75.69 ? 211 LYS A CE 1 ATOM 1672 N NZ . LYS A 1 211 ? 51.041 -33.573 29.517 1.00 71.11 ? 211 LYS A NZ 1 ATOM 1673 N N . SER A 1 212 ? 51.371 -36.288 33.867 1.00 67.41 ? 212 SER A N 1 ATOM 1674 C CA . SER A 1 212 ? 50.785 -35.850 35.131 1.00 65.49 ? 212 SER A CA 1 ATOM 1675 C C . SER A 1 212 ? 49.694 -34.815 34.887 1.00 67.57 ? 212 SER A C 1 ATOM 1676 O O . SER A 1 212 ? 49.704 -34.126 33.863 1.00 69.34 ? 212 SER A O 1 ATOM 1677 C CB . SER A 1 212 ? 51.863 -35.269 36.052 1.00 63.99 ? 212 SER A CB 1 ATOM 1678 O OG . SER A 1 212 ? 52.866 -36.228 36.335 1.00 73.72 ? 212 SER A OG 1 ATOM 1679 N N . PRO A 1 213 ? 48.735 -34.708 35.821 1.00 73.12 ? 213 PRO A N 1 ATOM 1680 C CA . PRO A 1 213 ? 47.715 -33.657 35.707 1.00 72.73 ? 213 PRO A CA 1 ATOM 1681 C C . PRO A 1 213 ? 48.297 -32.247 35.831 1.00 73.45 ? 213 PRO A C 1 ATOM 1682 O O . PRO A 1 213 ? 49.173 -31.998 36.664 1.00 76.98 ? 213 PRO A O 1 ATOM 1683 C CB . PRO A 1 213 ? 46.758 -33.964 36.869 1.00 72.53 ? 213 PRO A CB 1 ATOM 1684 C CG . PRO A 1 213 ? 47.531 -34.834 37.802 1.00 72.33 ? 213 PRO A CG 1 ATOM 1685 C CD . PRO A 1 213 ? 48.466 -35.623 36.944 1.00 72.66 ? 213 PRO A CD 1 ATOM 1686 N N . GLU A 1 214 ? 47.808 -31.338 34.993 1.00 70.27 ? 214 GLU A N 1 ATOM 1687 C CA . GLU A 1 214 ? 48.228 -29.941 35.016 1.00 75.30 ? 214 GLU A CA 1 ATOM 1688 C C . GLU A 1 214 ? 47.045 -29.048 35.384 1.00 76.70 ? 214 GLU A C 1 ATOM 1689 O O . GLU A 1 214 ? 46.251 -28.652 34.526 1.00 74.27 ? 214 GLU A O 1 ATOM 1690 C CB . GLU A 1 214 ? 48.822 -29.533 33.666 1.00 68.27 ? 214 GLU A CB 1 ATOM 1691 C CG . GLU A 1 214 ? 49.975 -30.414 33.206 1.00 70.90 ? 214 GLU A CG 1 ATOM 1692 C CD . GLU A 1 214 ? 49.960 -30.675 31.701 1.00 86.74 ? 214 GLU A CD 1 ATOM 1693 O OE1 . GLU A 1 214 ? 49.143 -30.047 30.980 1.00 80.64 ? 214 GLU A OE1 1 ATOM 1694 O OE2 . GLU A 1 214 ? 50.776 -31.505 31.238 1.00 83.00 ? 214 GLU A OE2 1 ATOM 1695 N N . ILE A 1 215 ? 46.949 -28.733 36.672 1.00 69.26 ? 215 ILE A N 1 ATOM 1696 C CA . ILE A 1 215 ? 45.778 -28.070 37.238 1.00 67.48 ? 215 ILE A CA 1 ATOM 1697 C C . ILE A 1 215 ? 45.735 -26.571 36.961 1.00 65.54 ? 215 ILE A C 1 ATOM 1698 O O . ILE A 1 215 ? 46.627 -25.828 37.365 1.00 70.79 ? 215 ILE A O 1 ATOM 1699 C CB . ILE A 1 215 ? 45.715 -28.299 38.754 1.00 67.75 ? 215 ILE A CB 1 ATOM 1700 C CG1 . ILE A 1 215 ? 45.573 -29.795 39.043 1.00 71.65 ? 215 ILE A CG1 1 ATOM 1701 C CG2 . ILE A 1 215 ? 44.566 -27.525 39.358 1.00 65.60 ? 215 ILE A CG2 1 ATOM 1702 C CD1 . ILE A 1 215 ? 45.697 -30.154 40.505 1.00 78.13 ? 215 ILE A CD1 1 ATOM 1703 N N . ALA A 1 216 ? 44.680 -26.141 36.273 1.00 66.46 ? 216 ALA A N 1 ATOM 1704 C CA . ALA A 1 216 ? 44.494 -24.741 35.911 1.00 69.54 ? 216 ALA A CA 1 ATOM 1705 C C . ALA A 1 216 ? 43.094 -24.523 35.355 1.00 70.77 ? 216 ALA A C 1 ATOM 1706 O O . ALA A 1 216 ? 42.459 -25.454 34.859 1.00 69.61 ? 216 ALA A O 1 ATOM 1707 C CB . ALA A 1 216 ? 45.544 -24.296 34.895 1.00 68.76 ? 216 ALA A CB 1 ATOM 1708 N N . ALA A 1 217 ? 42.617 -23.287 35.438 1.00 76.53 ? 217 ALA A N 1 ATOM 1709 C CA . ALA A 1 217 ? 41.293 -22.946 34.938 1.00 79.05 ? 217 ALA A CA 1 ATOM 1710 C C . ALA A 1 217 ? 41.371 -22.460 33.493 1.00 76.09 ? 217 ALA A C 1 ATOM 1711 O O . ALA A 1 217 ? 41.920 -21.395 33.210 1.00 74.48 ? 217 ALA A O 1 ATOM 1712 C CB . ALA A 1 217 ? 40.643 -21.889 35.825 1.00 79.11 ? 217 ALA A CB 1 ATOM 1713 N N . ARG A 1 218 ? 40.829 -23.257 32.581 1.00 77.97 ? 218 ARG A N 1 ATOM 1714 C CA . ARG A 1 218 ? 40.779 -22.882 31.175 1.00 80.75 ? 218 ARG A CA 1 ATOM 1715 C C . ARG A 1 218 ? 39.434 -22.242 30.875 1.00 81.13 ? 218 ARG A C 1 ATOM 1716 O O . ARG A 1 218 ? 38.477 -22.454 31.614 1.00 88.29 ? 218 ARG A O 1 ATOM 1717 C CB . ARG A 1 218 ? 41.004 -24.101 30.275 1.00 77.21 ? 218 ARG A CB 1 ATOM 1718 C CG . ARG A 1 218 ? 42.446 -24.532 30.156 1.00 74.05 ? 218 ARG A CG 1 ATOM 1719 C CD . ARG A 1 218 ? 42.851 -25.452 31.282 1.00 71.36 ? 218 ARG A CD 1 ATOM 1720 N NE . ARG A 1 218 ? 44.178 -26.010 31.052 1.00 79.13 ? 218 ARG A NE 1 ATOM 1721 C CZ . ARG A 1 218 ? 44.721 -26.972 31.789 1.00 80.06 ? 218 ARG A CZ 1 ATOM 1722 N NH1 . ARG A 1 218 ? 44.048 -27.485 32.814 1.00 76.32 ? 218 ARG A NH1 1 ATOM 1723 N NH2 . ARG A 1 218 ? 45.939 -27.417 31.501 1.00 82.80 ? 218 ARG A NH2 1 ATOM 1724 N N . PRO A 1 219 ? 39.360 -21.444 29.799 1.00 71.88 ? 219 PRO A N 1 ATOM 1725 C CA . PRO A 1 219 ? 38.075 -20.877 29.370 1.00 76.61 ? 219 PRO A CA 1 ATOM 1726 C C . PRO A 1 219 ? 36.980 -21.939 29.265 1.00 78.16 ? 219 PRO A C 1 ATOM 1727 O O . PRO A 1 219 ? 37.255 -23.070 28.871 1.00 78.35 ? 219 PRO A O 1 ATOM 1728 C CB . PRO A 1 219 ? 38.399 -20.288 27.996 1.00 72.93 ? 219 PRO A CB 1 ATOM 1729 C CG . PRO A 1 219 ? 39.838 -19.908 28.103 1.00 70.44 ? 219 PRO A CG 1 ATOM 1730 C CD . PRO A 1 219 ? 40.483 -20.951 28.981 1.00 65.73 ? 219 PRO A CD 1 ATOM 1731 N N . ALA A 1 220 ? 35.755 -21.584 29.628 1.00 78.44 ? 220 ALA A N 1 ATOM 1732 C CA . ALA A 1 220 ? 34.674 -22.557 29.624 1.00 77.36 ? 220 ALA A CA 1 ATOM 1733 C C . ALA A 1 220 ? 34.330 -23.003 28.205 1.00 73.66 ? 220 ALA A C 1 ATOM 1734 O O . ALA A 1 220 ? 34.155 -22.177 27.307 1.00 72.85 ? 220 ALA A O 1 ATOM 1735 C CB . ALA A 1 220 ? 33.446 -21.985 30.315 1.00 74.70 ? 220 ALA A CB 1 ATOM 1736 N N . VAL A 1 221 ? 34.263 -24.317 28.009 1.00 67.26 ? 221 VAL A N 1 ATOM 1737 C CA . VAL A 1 221 ? 33.769 -24.900 26.765 1.00 66.42 ? 221 VAL A CA 1 ATOM 1738 C C . VAL A 1 221 ? 32.791 -26.008 27.134 1.00 64.52 ? 221 VAL A C 1 ATOM 1739 O O . VAL A 1 221 ? 33.120 -26.879 27.942 1.00 65.43 ? 221 VAL A O 1 ATOM 1740 C CB . VAL A 1 221 ? 34.911 -25.469 25.870 1.00 64.43 ? 221 VAL A CB 1 ATOM 1741 C CG1 . VAL A 1 221 ? 34.339 -26.192 24.657 1.00 52.99 ? 221 VAL A CG1 1 ATOM 1742 C CG2 . VAL A 1 221 ? 35.854 -24.368 25.426 1.00 55.89 ? 221 VAL A CG2 1 ATOM 1743 N N . ASN A 1 222 ? 31.594 -25.966 26.550 1.00 73.20 ? 222 ASN A N 1 ATOM 1744 C CA . ASN A 1 222 ? 30.510 -26.882 26.916 1.00 79.52 ? 222 ASN A CA 1 ATOM 1745 C C . ASN A 1 222 ? 30.284 -26.923 28.432 1.00 81.90 ? 222 ASN A C 1 ATOM 1746 O O . ASN A 1 222 ? 29.953 -27.971 28.996 1.00 82.26 ? 222 ASN A O 1 ATOM 1747 C CB . ASN A 1 222 ? 30.786 -28.293 26.386 1.00 75.60 ? 222 ASN A CB 1 ATOM 1748 C CG . ASN A 1 222 ? 30.743 -28.372 24.870 1.00 76.90 ? 222 ASN A CG 1 ATOM 1749 O OD1 . ASN A 1 222 ? 30.269 -27.453 24.196 1.00 80.52 ? 222 ASN A OD1 1 ATOM 1750 N ND2 . ASN A 1 222 ? 31.231 -29.482 24.324 1.00 74.31 ? 222 ASN A ND2 1 ATOM 1751 N N . GLY A 1 223 ? 30.481 -25.775 29.079 1.00 68.96 ? 223 GLY A N 1 ATOM 1752 C CA . GLY A 1 223 ? 30.288 -25.637 30.510 1.00 68.08 ? 223 GLY A CA 1 ATOM 1753 C C . GLY A 1 223 ? 31.416 -26.160 31.383 1.00 76.22 ? 223 GLY A C 1 ATOM 1754 O O . GLY A 1 223 ? 31.234 -26.321 32.589 1.00 82.81 ? 223 GLY A O 1 ATOM 1755 N N . GLN A 1 224 ? 32.582 -26.426 30.798 1.00 76.32 ? 224 GLN A N 1 ATOM 1756 C CA . GLN A 1 224 ? 33.689 -27.002 31.565 1.00 72.78 ? 224 GLN A CA 1 ATOM 1757 C C . GLN A 1 224 ? 34.961 -26.154 31.516 1.00 72.16 ? 224 GLN A C 1 ATOM 1758 O O . GLN A 1 224 ? 35.412 -25.755 30.442 1.00 75.80 ? 224 GLN A O 1 ATOM 1759 C CB . GLN A 1 224 ? 34.000 -28.413 31.064 1.00 69.61 ? 224 GLN A CB 1 ATOM 1760 C CG . GLN A 1 224 ? 32.779 -29.277 30.833 1.00 73.38 ? 224 GLN A CG 1 ATOM 1761 C CD . GLN A 1 224 ? 32.028 -29.584 32.110 1.00 75.98 ? 224 GLN A CD 1 ATOM 1762 O OE1 . GLN A 1 224 ? 32.617 -29.655 33.188 1.00 76.56 ? 224 GLN A OE1 1 ATOM 1763 N NE2 . GLN A 1 224 ? 30.720 -29.769 31.995 1.00 78.70 ? 224 GLN A NE2 1 ATOM 1764 N N . ARG A 1 225 ? 35.536 -25.887 32.685 1.00 69.86 ? 225 ARG A N 1 ATOM 1765 C CA . ARG A 1 225 ? 36.791 -25.150 32.777 1.00 70.45 ? 225 ARG A CA 1 ATOM 1766 C C . ARG A 1 225 ? 37.934 -26.141 32.936 1.00 69.90 ? 225 ARG A C 1 ATOM 1767 O O . ARG A 1 225 ? 39.107 -25.772 32.871 1.00 68.43 ? 225 ARG A O 1 ATOM 1768 C CB . ARG A 1 225 ? 36.775 -24.160 33.949 1.00 74.43 ? 225 ARG A CB 1 ATOM 1769 C CG . ARG A 1 225 ? 35.580 -23.214 33.963 1.00 79.77 ? 225 ARG A CG 1 ATOM 1770 C CD . ARG A 1 225 ? 35.971 -21.803 33.555 1.00 82.12 ? 225 ARG A CD 1 ATOM 1771 N NE . ARG A 1 225 ? 36.606 -21.064 34.644 1.00 93.63 ? 225 ARG A NE 1 ATOM 1772 C CZ . ARG A 1 225 ? 37.233 -19.898 34.496 1.00 95.42 ? 225 ARG A CZ 1 ATOM 1773 N NH1 . ARG A 1 225 ? 37.325 -19.335 33.294 1.00 87.45 ? 225 ARG A NH1 1 ATOM 1774 N NH2 . ARG A 1 225 ? 37.777 -19.298 35.550 1.00 90.55 ? 225 ARG A NH2 1 ATOM 1775 N N . SER A 1 226 ? 37.579 -27.401 33.158 1.00 65.88 ? 226 SER A N 1 ATOM 1776 C CA . SER A 1 226 ? 38.560 -28.479 33.166 1.00 67.79 ? 226 SER A CA 1 ATOM 1777 C C . SER A 1 226 ? 38.845 -28.953 31.739 1.00 66.17 ? 226 SER A C 1 ATOM 1778 O O . SER A 1 226 ? 38.205 -28.509 30.783 1.00 58.55 ? 226 SER A O 1 ATOM 1779 C CB . SER A 1 226 ? 38.073 -29.648 34.021 1.00 62.93 ? 226 SER A CB 1 ATOM 1780 O OG . SER A 1 226 ? 37.988 -29.277 35.383 1.00 73.98 ? 226 SER A OG 1 ATOM 1781 N N . ARG A 1 227 ? 39.807 -29.860 31.608 1.00 59.93 ? 227 ARG A N 1 ATOM 1782 C CA . ARG A 1 227 ? 40.187 -30.399 30.311 1.00 55.74 ? 227 ARG A CA 1 ATOM 1783 C C . ARG A 1 227 ? 40.519 -31.875 30.400 1.00 57.25 ? 227 ARG A C 1 ATOM 1784 O O . ARG A 1 227 ? 40.780 -32.403 31.478 1.00 58.16 ? 227 ARG A O 1 ATOM 1785 C CB . ARG A 1 227 ? 41.393 -29.648 29.744 1.00 52.67 ? 227 ARG A CB 1 ATOM 1786 C CG . ARG A 1 227 ? 41.110 -28.223 29.330 1.00 57.98 ? 227 ARG A CG 1 ATOM 1787 C CD . ARG A 1 227 ? 40.127 -28.159 28.172 1.00 54.95 ? 227 ARG A CD 1 ATOM 1788 N NE . ARG A 1 227 ? 39.988 -26.794 27.678 1.00 56.95 ? 227 ARG A NE 1 ATOM 1789 C CZ . ARG A 1 227 ? 39.051 -25.945 28.081 1.00 59.51 ? 227 ARG A CZ 1 ATOM 1790 N NH1 . ARG A 1 227 ? 38.151 -26.323 28.978 1.00 63.73 ? 227 ARG A NH1 1 ATOM 1791 N NH2 . ARG A 1 227 ? 39.010 -24.719 27.578 1.00 60.70 ? 227 ARG A NH2 1 ATOM 1792 N N . ILE A 1 228 ? 40.514 -32.537 29.251 1.00 59.10 ? 228 ILE A N 1 ATOM 1793 C CA . ILE A 1 228 ? 41.064 -33.877 29.140 1.00 53.95 ? 228 ILE A CA 1 ATOM 1794 C C . ILE A 1 228 ? 42.062 -33.914 27.991 1.00 54.82 ? 228 ILE A C 1 ATOM 1795 O O . ILE A 1 228 ? 41.782 -33.428 26.897 1.00 56.55 ? 228 ILE A O 1 ATOM 1796 C CB . ILE A 1 228 ? 39.967 -34.935 28.910 1.00 57.63 ? 228 ILE A CB 1 ATOM 1797 C CG1 . ILE A 1 228 ? 39.107 -35.099 30.165 1.00 58.22 ? 228 ILE A CG1 1 ATOM 1798 C CG2 . ILE A 1 228 ? 40.583 -36.270 28.513 1.00 52.54 ? 228 ILE A CG2 1 ATOM 1799 C CD1 . ILE A 1 228 ? 38.033 -36.152 30.027 1.00 53.31 ? 228 ILE A CD1 1 ATOM 1800 N N . ASP A 1 229 ? 43.240 -34.465 28.244 1.00 67.86 ? 229 ASP A N 1 ATOM 1801 C CA . ASP A 1 229 ? 44.160 -34.762 27.160 1.00 62.13 ? 229 ASP A CA 1 ATOM 1802 C C . ASP A 1 229 ? 43.911 -36.187 26.691 1.00 59.62 ? 229 ASP A C 1 ATOM 1803 O O . ASP A 1 229 ? 44.284 -37.139 27.377 1.00 59.23 ? 229 ASP A O 1 ATOM 1804 C CB . ASP A 1 229 ? 45.615 -34.575 27.597 1.00 64.67 ? 229 ASP A CB 1 ATOM 1805 C CG . ASP A 1 229 ? 46.100 -33.141 27.418 1.00 73.92 ? 229 ASP A CG 1 ATOM 1806 O OD1 . ASP A 1 229 ? 45.564 -32.432 26.536 1.00 74.24 ? 229 ASP A OD1 1 ATOM 1807 O OD2 . ASP A 1 229 ? 47.012 -32.719 28.165 1.00 78.13 ? 229 ASP A OD2 1 ATOM 1808 N N . TYR A 1 230 ? 43.265 -36.318 25.531 1.00 48.94 ? 230 TYR A N 1 ATOM 1809 C CA . TYR A 1 230 ? 42.987 -37.619 24.922 1.00 45.59 ? 230 TYR A CA 1 ATOM 1810 C C . TYR A 1 230 ? 44.204 -38.159 24.167 1.00 43.04 ? 230 TYR A C 1 ATOM 1811 O O . TYR A 1 230 ? 44.978 -37.395 23.604 1.00 48.03 ? 230 TYR A O 1 ATOM 1812 C CB . TYR A 1 230 ? 41.802 -37.519 23.964 1.00 43.33 ? 230 TYR A CB 1 ATOM 1813 C CG . TYR A 1 230 ? 40.542 -36.955 24.567 1.00 50.33 ? 230 TYR A CG 1 ATOM 1814 C CD1 . TYR A 1 230 ? 40.322 -35.583 24.607 1.00 51.44 ? 230 TYR A CD1 1 ATOM 1815 C CD2 . TYR A 1 230 ? 39.562 -37.797 25.095 1.00 54.11 ? 230 TYR A CD2 1 ATOM 1816 C CE1 . TYR A 1 230 ? 39.164 -35.062 25.156 1.00 54.50 ? 230 TYR A CE1 1 ATOM 1817 C CE2 . TYR A 1 230 ? 38.403 -37.283 25.651 1.00 51.09 ? 230 TYR A CE2 1 ATOM 1818 C CZ . TYR A 1 230 ? 38.211 -35.918 25.675 1.00 54.01 ? 230 TYR A CZ 1 ATOM 1819 O OH . TYR A 1 230 ? 37.064 -35.405 26.216 1.00 57.04 ? 230 TYR A OH 1 ATOM 1820 N N . TYR A 1 231 ? 44.365 -39.476 24.145 1.00 39.20 ? 231 TYR A N 1 ATOM 1821 C CA . TYR A 1 231 ? 45.486 -40.087 23.439 1.00 41.76 ? 231 TYR A CA 1 ATOM 1822 C C . TYR A 1 231 ? 45.037 -41.327 22.690 1.00 42.15 ? 231 TYR A C 1 ATOM 1823 O O . TYR A 1 231 ? 43.991 -41.899 22.985 1.00 46.79 ? 231 TYR A O 1 ATOM 1824 C CB . TYR A 1 231 ? 46.622 -40.442 24.406 1.00 42.06 ? 231 TYR A CB 1 ATOM 1825 C CG . TYR A 1 231 ? 47.262 -39.243 25.072 1.00 44.69 ? 231 TYR A CG 1 ATOM 1826 C CD1 . TYR A 1 231 ? 48.312 -38.569 24.462 1.00 44.95 ? 231 TYR A CD1 1 ATOM 1827 C CD2 . TYR A 1 231 ? 46.818 -38.784 26.312 1.00 48.46 ? 231 TYR A CD2 1 ATOM 1828 C CE1 . TYR A 1 231 ? 48.903 -37.469 25.058 1.00 43.29 ? 231 TYR A CE1 1 ATOM 1829 C CE2 . TYR A 1 231 ? 47.406 -37.681 26.922 1.00 47.26 ? 231 TYR A CE2 1 ATOM 1830 C CZ . TYR A 1 231 ? 48.449 -37.030 26.287 1.00 51.97 ? 231 TYR A CZ 1 ATOM 1831 O OH . TYR A 1 231 ? 49.045 -35.936 26.871 1.00 54.18 ? 231 TYR A OH 1 ATOM 1832 N N . TRP A 1 232 ? 45.821 -41.734 21.703 1.00 45.10 ? 232 TRP A N 1 ATOM 1833 C CA . TRP A 1 232 ? 45.531 -42.957 20.976 1.00 42.38 ? 232 TRP A CA 1 ATOM 1834 C C . TRP A 1 232 ? 46.834 -43.648 20.668 1.00 40.35 ? 232 TRP A C 1 ATOM 1835 O O . TRP A 1 232 ? 47.897 -43.039 20.729 1.00 42.10 ? 232 TRP A O 1 ATOM 1836 C CB . TRP A 1 232 ? 44.753 -42.680 19.685 1.00 39.72 ? 232 TRP A CB 1 ATOM 1837 C CG . TRP A 1 232 ? 45.557 -41.965 18.645 1.00 44.06 ? 232 TRP A CG 1 ATOM 1838 C CD1 . TRP A 1 232 ? 45.743 -40.617 18.539 1.00 42.96 ? 232 TRP A CD1 1 ATOM 1839 C CD2 . TRP A 1 232 ? 46.289 -42.558 17.560 1.00 41.33 ? 232 TRP A CD2 1 ATOM 1840 N NE1 . TRP A 1 232 ? 46.550 -40.334 17.465 1.00 42.29 ? 232 TRP A NE1 1 ATOM 1841 C CE2 . TRP A 1 232 ? 46.898 -41.506 16.845 1.00 39.60 ? 232 TRP A CE2 1 ATOM 1842 C CE3 . TRP A 1 232 ? 46.491 -43.874 17.128 1.00 39.54 ? 232 TRP A CE3 1 ATOM 1843 C CZ2 . TRP A 1 232 ? 47.693 -41.728 15.716 1.00 36.93 ? 232 TRP A CZ2 1 ATOM 1844 C CZ3 . TRP A 1 232 ? 47.282 -44.095 16.002 1.00 39.77 ? 232 TRP A CZ3 1 ATOM 1845 C CH2 . TRP A 1 232 ? 47.872 -43.024 15.312 1.00 38.11 ? 232 TRP A CH2 1 ATOM 1846 N N . SER A 1 233 ? 46.744 -44.929 20.352 1.00 44.03 ? 233 SER A N 1 ATOM 1847 C CA . SER A 1 233 ? 47.895 -45.685 19.912 1.00 40.81 ? 233 SER A CA 1 ATOM 1848 C C . SER A 1 233 ? 47.434 -46.967 19.247 1.00 43.73 ? 233 SER A C 1 ATOM 1849 O O . SER A 1 233 ? 46.238 -47.245 19.163 1.00 47.09 ? 233 SER A O 1 ATOM 1850 C CB . SER A 1 233 ? 48.827 -45.988 21.077 1.00 43.11 ? 233 SER A CB 1 ATOM 1851 O OG . SER A 1 233 ? 49.923 -46.766 20.645 1.00 43.93 ? 233 SER A OG 1 ATOM 1852 N N . VAL A 1 234 ? 48.391 -47.743 18.762 1.00 44.82 ? 234 VAL A N 1 ATOM 1853 C CA . VAL A 1 234 ? 48.092 -48.994 18.089 1.00 43.85 ? 234 VAL A CA 1 ATOM 1854 C C . VAL A 1 234 ? 48.911 -50.102 18.733 1.00 49.09 ? 234 VAL A C 1 ATOM 1855 O O . VAL A 1 234 ? 50.132 -50.006 18.803 1.00 51.06 ? 234 VAL A O 1 ATOM 1856 C CB . VAL A 1 234 ? 48.397 -48.912 16.577 1.00 39.72 ? 234 VAL A CB 1 ATOM 1857 C CG1 . VAL A 1 234 ? 48.228 -50.260 15.924 1.00 40.22 ? 234 VAL A CG1 1 ATOM 1858 C CG2 . VAL A 1 234 ? 47.501 -47.885 15.917 1.00 44.87 ? 234 VAL A CG2 1 ATOM 1859 N N . LEU A 1 235 ? 48.231 -51.131 19.235 1.00 50.11 ? 235 LEU A N 1 ATOM 1860 C CA . LEU A 1 235 ? 48.898 -52.285 19.826 1.00 48.30 ? 235 LEU A CA 1 ATOM 1861 C C . LEU A 1 235 ? 49.079 -53.353 18.755 1.00 52.77 ? 235 LEU A C 1 ATOM 1862 O O . LEU A 1 235 ? 48.103 -53.921 18.281 1.00 54.68 ? 235 LEU A O 1 ATOM 1863 C CB . LEU A 1 235 ? 48.088 -52.828 21.005 1.00 52.64 ? 235 LEU A CB 1 ATOM 1864 C CG . LEU A 1 235 ? 48.714 -53.883 21.919 1.00 56.56 ? 235 LEU A CG 1 ATOM 1865 C CD1 . LEU A 1 235 ? 49.893 -53.308 22.678 1.00 56.08 ? 235 LEU A CD1 1 ATOM 1866 C CD2 . LEU A 1 235 ? 47.675 -54.406 22.881 1.00 54.70 ? 235 LEU A CD2 1 ATOM 1867 N N . ARG A 1 236 ? 50.323 -53.614 18.362 1.00 69.00 ? 236 ARG A N 1 ATOM 1868 C CA . ARG A 1 236 ? 50.595 -54.543 17.266 1.00 69.48 ? 236 ARG A CA 1 ATOM 1869 C C . ARG A 1 236 ? 50.420 -55.986 17.725 1.00 68.26 ? 236 ARG A C 1 ATOM 1870 O O . ARG A 1 236 ? 50.509 -56.266 18.917 1.00 69.75 ? 236 ARG A O 1 ATOM 1871 C CB . ARG A 1 236 ? 52.012 -54.326 16.718 1.00 75.11 ? 236 ARG A CB 1 ATOM 1872 C CG . ARG A 1 236 ? 52.250 -52.963 16.075 1.00 80.01 ? 236 ARG A CG 1 ATOM 1873 C CD . ARG A 1 236 ? 53.624 -52.904 15.413 1.00 95.66 ? 236 ARG A CD 1 ATOM 1874 N NE . ARG A 1 236 ? 54.591 -52.131 16.195 1.00 101.34 ? 236 ARG A NE 1 ATOM 1875 C CZ . ARG A 1 236 ? 55.786 -51.756 15.746 1.00 103.83 ? 236 ARG A CZ 1 ATOM 1876 N NH1 . ARG A 1 236 ? 56.164 -52.079 14.512 1.00 99.77 ? 236 ARG A NH1 1 ATOM 1877 N NH2 . ARG A 1 236 ? 56.602 -51.057 16.528 1.00 96.91 ? 236 ARG A NH2 1 ATOM 1878 N N . PRO A 1 237 ? 50.168 -56.909 16.780 1.00 55.14 ? 237 PRO A N 1 ATOM 1879 C CA . PRO A 1 237 ? 50.047 -58.331 17.129 1.00 52.07 ? 237 PRO A CA 1 ATOM 1880 C C . PRO A 1 237 ? 51.285 -58.870 17.852 1.00 59.14 ? 237 PRO A C 1 ATOM 1881 O O . PRO A 1 237 ? 52.411 -58.736 17.361 1.00 54.79 ? 237 PRO A O 1 ATOM 1882 C CB . PRO A 1 237 ? 49.873 -59.009 15.770 1.00 50.60 ? 237 PRO A CB 1 ATOM 1883 C CG . PRO A 1 237 ? 49.309 -57.948 14.894 1.00 50.96 ? 237 PRO A CG 1 ATOM 1884 C CD . PRO A 1 237 ? 49.938 -56.675 15.345 1.00 47.75 ? 237 PRO A CD 1 ATOM 1885 N N . GLY A 1 238 ? 51.070 -59.464 19.024 1.00 62.99 ? 238 GLY A N 1 ATOM 1886 C CA . GLY A 1 238 ? 52.160 -60.003 19.816 1.00 60.04 ? 238 GLY A CA 1 ATOM 1887 C C . GLY A 1 238 ? 52.625 -59.073 20.921 1.00 61.30 ? 238 GLY A C 1 ATOM 1888 O O . GLY A 1 238 ? 53.304 -59.503 21.850 1.00 70.08 ? 238 GLY A O 1 ATOM 1889 N N . GLU A 1 239 ? 52.274 -57.794 20.820 1.00 63.64 ? 239 GLU A N 1 ATOM 1890 C CA . GLU A 1 239 ? 52.624 -56.829 21.858 1.00 62.26 ? 239 GLU A CA 1 ATOM 1891 C C . GLU A 1 239 ? 51.634 -56.931 22.997 1.00 65.53 ? 239 GLU A C 1 ATOM 1892 O O . GLU A 1 239 ? 50.538 -57.467 22.832 1.00 65.49 ? 239 GLU A O 1 ATOM 1893 C CB . GLU A 1 239 ? 52.646 -55.393 21.319 1.00 60.72 ? 239 GLU A CB 1 ATOM 1894 C CG . GLU A 1 239 ? 53.833 -55.060 20.421 1.00 63.84 ? 239 GLU A CG 1 ATOM 1895 C CD . GLU A 1 239 ? 53.901 -53.580 20.048 1.00 68.84 ? 239 GLU A CD 1 ATOM 1896 O OE1 . GLU A 1 239 ? 52.859 -52.885 20.116 1.00 63.28 ? 239 GLU A OE1 1 ATOM 1897 O OE2 . GLU A 1 239 ? 55.006 -53.109 19.693 1.00 69.71 ? 239 GLU A OE2 1 ATOM 1898 N N . THR A 1 240 ? 52.024 -56.416 24.157 1.00 64.63 ? 240 THR A N 1 ATOM 1899 C CA . THR A 1 240 ? 51.118 -56.353 25.293 1.00 66.09 ? 240 THR A CA 1 ATOM 1900 C C . THR A 1 240 ? 51.190 -54.968 25.927 1.00 63.18 ? 240 THR A C 1 ATOM 1901 O O . THR A 1 240 ? 52.233 -54.319 25.904 1.00 63.69 ? 240 THR A O 1 ATOM 1902 C CB . THR A 1 240 ? 51.428 -57.457 26.342 1.00 72.28 ? 240 THR A CB 1 ATOM 1903 O OG1 . THR A 1 240 ? 50.758 -57.160 27.575 1.00 77.09 ? 240 THR A OG1 1 ATOM 1904 C CG2 . THR A 1 240 ? 52.914 -57.563 26.597 1.00 75.73 ? 240 THR A CG2 1 ATOM 1905 N N . LEU A 1 241 ? 50.067 -54.518 26.472 1.00 64.28 ? 241 LEU A N 1 ATOM 1906 C CA . LEU A 1 241 ? 49.957 -53.182 27.044 1.00 63.12 ? 241 LEU A CA 1 ATOM 1907 C C . LEU A 1 241 ? 49.810 -53.228 28.558 1.00 62.58 ? 241 LEU A C 1 ATOM 1908 O O . LEU A 1 241 ? 48.997 -53.984 29.077 1.00 65.83 ? 241 LEU A O 1 ATOM 1909 C CB . LEU A 1 241 ? 48.761 -52.452 26.435 1.00 62.36 ? 241 LEU A CB 1 ATOM 1910 C CG . LEU A 1 241 ? 48.372 -51.119 27.071 1.00 62.01 ? 241 LEU A CG 1 ATOM 1911 C CD1 . LEU A 1 241 ? 49.453 -50.083 26.834 1.00 60.21 ? 241 LEU A CD1 1 ATOM 1912 C CD2 . LEU A 1 241 ? 47.017 -50.648 26.551 1.00 61.77 ? 241 LEU A CD2 1 ATOM 1913 N N . ASN A 1 242 ? 50.596 -52.413 29.258 1.00 64.47 ? 242 ASN A N 1 ATOM 1914 C CA . ASN A 1 242 ? 50.481 -52.270 30.709 1.00 64.28 ? 242 ASN A CA 1 ATOM 1915 C C . ASN A 1 242 ? 50.030 -50.875 31.105 1.00 64.93 ? 242 ASN A C 1 ATOM 1916 O O . ASN A 1 242 ? 50.675 -49.890 30.762 1.00 68.58 ? 242 ASN A O 1 ATOM 1917 C CB . ASN A 1 242 ? 51.812 -52.577 31.400 1.00 66.45 ? 242 ASN A CB 1 ATOM 1918 C CG . ASN A 1 242 ? 52.142 -54.056 31.411 1.00 68.03 ? 242 ASN A CG 1 ATOM 1919 O OD1 . ASN A 1 242 ? 51.274 -54.902 31.200 1.00 77.63 ? 242 ASN A OD1 1 ATOM 1920 N ND2 . ASN A 1 242 ? 53.399 -54.376 31.669 1.00 69.65 ? 242 ASN A ND2 1 ATOM 1921 N N . VAL A 1 243 ? 48.923 -50.791 31.831 1.00 62.51 ? 243 VAL A N 1 ATOM 1922 C CA . VAL A 1 243 ? 48.459 -49.510 32.349 1.00 65.38 ? 243 VAL A CA 1 ATOM 1923 C C . VAL A 1 243 ? 48.691 -49.419 33.852 1.00 67.50 ? 243 VAL A C 1 ATOM 1924 O O . VAL A 1 243 ? 48.214 -50.258 34.609 1.00 71.86 ? 243 VAL A O 1 ATOM 1925 C CB . VAL A 1 243 ? 46.968 -49.285 32.061 1.00 62.75 ? 243 VAL A CB 1 ATOM 1926 C CG1 . VAL A 1 243 ? 46.537 -47.921 32.572 1.00 61.85 ? 243 VAL A CG1 1 ATOM 1927 C CG2 . VAL A 1 243 ? 46.694 -49.416 30.574 1.00 66.05 ? 243 VAL A CG2 1 ATOM 1928 N N . GLU A 1 244 ? 49.441 -48.411 34.281 1.00 74.40 ? 244 GLU A N 1 ATOM 1929 C CA . GLU A 1 244 ? 49.649 -48.174 35.702 1.00 77.46 ? 244 GLU A CA 1 ATOM 1930 C C . GLU A 1 244 ? 49.319 -46.723 36.025 1.00 80.47 ? 244 GLU A C 1 ATOM 1931 O O . GLU A 1 244 ? 49.892 -45.809 35.437 1.00 81.84 ? 244 GLU A O 1 ATOM 1932 C CB . GLU A 1 244 ? 51.090 -48.503 36.117 1.00 80.02 ? 244 GLU A CB 1 ATOM 1933 C CG . GLU A 1 244 ? 51.336 -48.367 37.629 1.00 89.01 ? 244 GLU A CG 1 ATOM 1934 C CD . GLU A 1 244 ? 52.779 -48.645 38.038 1.00 90.02 ? 244 GLU A CD 1 ATOM 1935 O OE1 . GLU A 1 244 ? 53.306 -47.895 38.893 1.00 87.33 ? 244 GLU A OE1 1 ATOM 1936 O OE2 . GLU A 1 244 ? 53.379 -49.616 37.520 1.00 87.49 ? 244 GLU A OE2 1 ATOM 1937 N N . SER A 1 245 ? 48.389 -46.513 36.953 1.00 71.92 ? 245 SER A N 1 ATOM 1938 C CA . SER A 1 245 ? 47.984 -45.160 37.325 1.00 72.77 ? 245 SER A CA 1 ATOM 1939 C C . SER A 1 245 ? 47.532 -45.051 38.779 1.00 74.51 ? 245 SER A C 1 ATOM 1940 O O . SER A 1 245 ? 47.013 -46.007 39.360 1.00 75.21 ? 245 SER A O 1 ATOM 1941 C CB . SER A 1 245 ? 46.861 -44.673 36.409 1.00 69.16 ? 245 SER A CB 1 ATOM 1942 O OG . SER A 1 245 ? 46.317 -43.455 36.889 1.00 67.90 ? 245 SER A OG 1 ATOM 1943 N N . ASN A 1 246 ? 47.721 -43.869 39.357 1.00 78.12 ? 246 ASN A N 1 ATOM 1944 C CA . ASN A 1 246 ? 47.266 -43.600 40.718 1.00 77.29 ? 246 ASN A CA 1 ATOM 1945 C C . ASN A 1 246 ? 46.449 -42.322 40.793 1.00 78.99 ? 246 ASN A C 1 ATOM 1946 O O . ASN A 1 246 ? 46.239 -41.789 41.877 1.00 84.48 ? 246 ASN A O 1 ATOM 1947 C CB . ASN A 1 246 ? 48.450 -43.499 41.687 1.00 76.50 ? 246 ASN A CB 1 ATOM 1948 C CG . ASN A 1 246 ? 49.193 -42.175 41.571 1.00 80.68 ? 246 ASN A CG 1 ATOM 1949 O OD1 . ASN A 1 246 ? 49.185 -41.525 40.522 1.00 80.09 ? 246 ASN A OD1 1 ATOM 1950 N ND2 . ASN A 1 246 ? 49.843 -41.774 42.649 1.00 81.10 ? 246 ASN A ND2 1 ATOM 1951 N N . GLY A 1 247 ? 45.986 -41.841 39.640 1.00 76.82 ? 247 GLY A N 1 ATOM 1952 C CA . GLY A 1 247 ? 45.139 -40.661 39.576 1.00 74.62 ? 247 GLY A CA 1 ATOM 1953 C C . GLY A 1 247 ? 44.897 -40.166 38.165 1.00 72.12 ? 247 GLY A C 1 ATOM 1954 O O . GLY A 1 247 ? 45.714 -40.387 37.272 1.00 74.16 ? 247 GLY A O 1 ATOM 1955 N N . ASN A 1 248 ? 43.743 -39.531 37.967 1.00 73.78 ? 248 ASN A N 1 ATOM 1956 C CA . ASN A 1 248 ? 43.426 -38.782 36.744 1.00 73.35 ? 248 ASN A CA 1 ATOM 1957 C C . ASN A 1 248 ? 43.301 -39.595 35.445 1.00 69.54 ? 248 ASN A C 1 ATOM 1958 O O . ASN A 1 248 ? 43.251 -39.020 34.356 1.00 67.43 ? 248 ASN A O 1 ATOM 1959 C CB . ASN A 1 248 ? 44.479 -37.695 36.536 1.00 70.57 ? 248 ASN A CB 1 ATOM 1960 C CG . ASN A 1 248 ? 44.489 -36.683 37.651 1.00 73.50 ? 248 ASN A CG 1 ATOM 1961 O OD1 . ASN A 1 248 ? 45.154 -36.872 38.666 1.00 79.83 ? 248 ASN A OD1 1 ATOM 1962 N ND2 . ASN A 1 248 ? 43.754 -35.597 37.470 1.00 71.28 ? 248 ASN A ND2 1 ATOM 1963 N N . LEU A 1 249 ? 43.228 -40.916 35.553 1.00 59.05 ? 249 LEU A N 1 ATOM 1964 C CA . LEU A 1 249 ? 43.184 -41.750 34.365 1.00 56.81 ? 249 LEU A CA 1 ATOM 1965 C C . LEU A 1 249 ? 41.793 -41.824 33.735 1.00 60.73 ? 249 LEU A C 1 ATOM 1966 O O . LEU A 1 249 ? 40.822 -42.186 34.395 1.00 65.30 ? 249 LEU A O 1 ATOM 1967 C CB . LEU A 1 249 ? 43.671 -43.162 34.694 1.00 59.40 ? 249 LEU A CB 1 ATOM 1968 C CG . LEU A 1 249 ? 43.468 -44.208 33.592 1.00 61.65 ? 249 LEU A CG 1 ATOM 1969 C CD1 . LEU A 1 249 ? 44.277 -43.845 32.348 1.00 57.47 ? 249 LEU A CD1 1 ATOM 1970 C CD2 . LEU A 1 249 ? 43.829 -45.604 34.086 1.00 60.57 ? 249 LEU A CD2 1 ATOM 1971 N N . ILE A 1 250 ? 41.699 -41.470 32.455 1.00 66.50 ? 250 ILE A N 1 ATOM 1972 C CA . ILE A 1 250 ? 40.530 -41.833 31.660 1.00 60.94 ? 250 ILE A CA 1 ATOM 1973 C C . ILE A 1 250 ? 40.878 -43.149 30.980 1.00 61.67 ? 250 ILE A C 1 ATOM 1974 O O . ILE A 1 250 ? 41.600 -43.172 29.983 1.00 63.06 ? 250 ILE A O 1 ATOM 1975 C CB . ILE A 1 250 ? 40.157 -40.764 30.615 1.00 57.97 ? 250 ILE A CB 1 ATOM 1976 C CG1 . ILE A 1 250 ? 40.018 -39.388 31.269 1.00 57.17 ? 250 ILE A CG1 1 ATOM 1977 C CG2 . ILE A 1 250 ? 38.878 -41.151 29.888 1.00 60.90 ? 250 ILE A CG2 1 ATOM 1978 C CD1 . ILE A 1 250 ? 38.940 -39.306 32.325 1.00 60.55 ? 250 ILE A CD1 1 ATOM 1979 N N . ALA A 1 251 ? 40.386 -44.249 31.538 1.00 60.65 ? 251 ALA A N 1 ATOM 1980 C CA . ALA A 1 251 ? 40.858 -45.572 31.146 1.00 59.54 ? 251 ALA A CA 1 ATOM 1981 C C . ALA A 1 251 ? 40.337 -46.038 29.782 1.00 59.71 ? 251 ALA A C 1 ATOM 1982 O O . ALA A 1 251 ? 39.229 -45.684 29.367 1.00 58.70 ? 251 ALA A O 1 ATOM 1983 C CB . ALA A 1 251 ? 40.488 -46.585 32.216 1.00 57.57 ? 251 ALA A CB 1 ATOM 1984 N N . PRO A 1 252 ? 41.149 -46.833 29.075 1.00 54.42 ? 252 PRO A N 1 ATOM 1985 C CA . PRO A 1 252 ? 40.637 -47.521 27.891 1.00 56.80 ? 252 PRO A CA 1 ATOM 1986 C C . PRO A 1 252 ? 39.665 -48.620 28.303 1.00 59.12 ? 252 PRO A C 1 ATOM 1987 O O . PRO A 1 252 ? 40.019 -49.470 29.116 1.00 61.03 ? 252 PRO A O 1 ATOM 1988 C CB . PRO A 1 252 ? 41.899 -48.096 27.241 1.00 48.25 ? 252 PRO A CB 1 ATOM 1989 C CG . PRO A 1 252 ? 42.884 -48.194 28.357 1.00 51.63 ? 252 PRO A CG 1 ATOM 1990 C CD . PRO A 1 252 ? 42.596 -47.039 29.255 1.00 53.08 ? 252 PRO A CD 1 ATOM 1991 N N . TRP A 1 253 ? 38.454 -48.580 27.757 1.00 54.95 ? 253 TRP A N 1 ATOM 1992 C CA . TRP A 1 253 ? 37.417 -49.559 28.057 1.00 51.96 ? 253 TRP A CA 1 ATOM 1993 C C . TRP A 1 253 ? 37.235 -50.468 26.842 1.00 53.31 ? 253 TRP A C 1 ATOM 1994 O O . TRP A 1 253 ? 37.639 -51.632 26.853 1.00 52.54 ? 253 TRP A O 1 ATOM 1995 C CB . TRP A 1 253 ? 36.108 -48.847 28.427 1.00 53.17 ? 253 TRP A CB 1 ATOM 1996 C CG . TRP A 1 253 ? 34.985 -49.746 28.910 1.00 56.50 ? 253 TRP A CG 1 ATOM 1997 C CD1 . TRP A 1 253 ? 35.064 -51.075 29.222 1.00 52.33 ? 253 TRP A CD1 1 ATOM 1998 C CD2 . TRP A 1 253 ? 33.619 -49.362 29.135 1.00 52.48 ? 253 TRP A CD2 1 ATOM 1999 N NE1 . TRP A 1 253 ? 33.832 -51.540 29.618 1.00 54.86 ? 253 TRP A NE1 1 ATOM 2000 C CE2 . TRP A 1 253 ? 32.929 -50.509 29.576 1.00 57.10 ? 253 TRP A CE2 1 ATOM 2001 C CE3 . TRP A 1 253 ? 32.913 -48.159 29.004 1.00 53.62 ? 253 TRP A CE3 1 ATOM 2002 C CZ2 . TRP A 1 253 ? 31.565 -50.492 29.883 1.00 58.98 ? 253 TRP A CZ2 1 ATOM 2003 C CZ3 . TRP A 1 253 ? 31.556 -48.143 29.310 1.00 52.66 ? 253 TRP A CZ3 1 ATOM 2004 C CH2 . TRP A 1 253 ? 30.899 -49.301 29.743 1.00 53.99 ? 253 TRP A CH2 1 ATOM 2005 N N . TYR A 1 254 ? 36.644 -49.920 25.787 1.00 57.14 ? 254 TYR A N 1 ATOM 2006 C CA . TYR A 1 254 ? 36.546 -50.626 24.510 1.00 62.04 ? 254 TYR A CA 1 ATOM 2007 C C . TYR A 1 254 ? 37.613 -50.157 23.520 1.00 57.70 ? 254 TYR A C 1 ATOM 2008 O O . TYR A 1 254 ? 38.203 -49.085 23.667 1.00 56.88 ? 254 TYR A O 1 ATOM 2009 C CB . TYR A 1 254 ? 35.152 -50.456 23.902 1.00 60.35 ? 254 TYR A CB 1 ATOM 2010 C CG . TYR A 1 254 ? 34.105 -51.316 24.571 1.00 63.90 ? 254 TYR A CG 1 ATOM 2011 C CD1 . TYR A 1 254 ? 33.480 -50.902 25.746 1.00 64.96 ? 254 TYR A CD1 1 ATOM 2012 C CD2 . TYR A 1 254 ? 33.750 -52.550 24.038 1.00 65.24 ? 254 TYR A CD2 1 ATOM 2013 C CE1 . TYR A 1 254 ? 32.522 -51.692 26.370 1.00 62.90 ? 254 TYR A CE1 1 ATOM 2014 C CE2 . TYR A 1 254 ? 32.795 -53.347 24.649 1.00 70.17 ? 254 TYR A CE2 1 ATOM 2015 C CZ . TYR A 1 254 ? 32.184 -52.912 25.816 1.00 71.48 ? 254 TYR A CZ 1 ATOM 2016 O OH . TYR A 1 254 ? 31.236 -53.704 26.424 1.00 73.66 ? 254 TYR A OH 1 ATOM 2017 N N . ALA A 1 255 ? 37.858 -50.983 22.513 1.00 54.06 ? 255 ALA A N 1 ATOM 2018 C CA . ALA A 1 255 ? 38.899 -50.714 21.538 1.00 45.96 ? 255 ALA A CA 1 ATOM 2019 C C . ALA A 1 255 ? 38.545 -51.387 20.223 1.00 47.34 ? 255 ALA A C 1 ATOM 2020 O O . ALA A 1 255 ? 37.540 -52.085 20.123 1.00 49.28 ? 255 ALA A O 1 ATOM 2021 C CB . ALA A 1 255 ? 40.246 -51.196 22.050 1.00 48.06 ? 255 ALA A CB 1 ATOM 2022 N N . TYR A 1 256 ? 39.371 -51.179 19.208 1.00 48.11 ? 256 TYR A N 1 ATOM 2023 C CA . TYR A 1 256 ? 39.035 -51.647 17.876 1.00 43.56 ? 256 TYR A CA 1 ATOM 2024 C C . TYR A 1 256 ? 40.106 -52.543 17.296 1.00 43.64 ? 256 TYR A C 1 ATOM 2025 O O . TYR A 1 256 ? 41.264 -52.159 17.209 1.00 49.37 ? 256 TYR A O 1 ATOM 2026 C CB . TYR A 1 256 ? 38.811 -50.463 16.944 1.00 41.97 ? 256 TYR A CB 1 ATOM 2027 C CG . TYR A 1 256 ? 37.650 -49.591 17.322 1.00 37.73 ? 256 TYR A CG 1 ATOM 2028 C CD1 . TYR A 1 256 ? 36.361 -49.899 16.909 1.00 41.30 ? 256 TYR A CD1 1 ATOM 2029 C CD2 . TYR A 1 256 ? 37.840 -48.451 18.087 1.00 41.40 ? 256 TYR A CD2 1 ATOM 2030 C CE1 . TYR A 1 256 ? 35.285 -49.091 17.258 1.00 44.94 ? 256 TYR A CE1 1 ATOM 2031 C CE2 . TYR A 1 256 ? 36.774 -47.638 18.438 1.00 45.89 ? 256 TYR A CE2 1 ATOM 2032 C CZ . TYR A 1 256 ? 35.503 -47.960 18.024 1.00 45.28 ? 256 TYR A CZ 1 ATOM 2033 O OH . TYR A 1 256 ? 34.454 -47.144 18.384 1.00 53.28 ? 256 TYR A OH 1 ATOM 2034 N N . LYS A 1 257 ? 39.721 -53.746 16.904 1.00 46.95 ? 257 LYS A N 1 ATOM 2035 C CA . LYS A 1 257 ? 40.590 -54.550 16.068 1.00 50.63 ? 257 LYS A CA 1 ATOM 2036 C C . LYS A 1 257 ? 40.527 -53.953 14.674 1.00 46.43 ? 257 LYS A C 1 ATOM 2037 O O . LYS A 1 257 ? 39.450 -53.762 14.120 1.00 52.48 ? 257 LYS A O 1 ATOM 2038 C CB . LYS A 1 257 ? 40.178 -56.019 16.094 1.00 55.56 ? 257 LYS A CB 1 ATOM 2039 C CG . LYS A 1 257 ? 40.695 -56.727 17.340 1.00 55.57 ? 257 LYS A CG 1 ATOM 2040 C CD . LYS A 1 257 ? 40.012 -58.052 17.572 1.00 63.53 ? 257 LYS A CD 1 ATOM 2041 C CE . LYS A 1 257 ? 40.450 -58.665 18.896 1.00 63.79 ? 257 LYS A CE 1 ATOM 2042 N NZ . LYS A 1 257 ? 39.721 -59.934 19.175 1.00 77.11 ? 257 LYS A NZ 1 ATOM 2043 N N . PHE A 1 258 ? 41.691 -53.623 14.131 1.00 53.87 ? 258 PHE A N 1 ATOM 2044 C CA . PHE A 1 258 ? 41.784 -52.778 12.945 1.00 51.58 ? 258 PHE A CA 1 ATOM 2045 C C . PHE A 1 258 ? 42.314 -53.545 11.741 1.00 49.51 ? 258 PHE A C 1 ATOM 2046 O O . PHE A 1 258 ? 43.391 -54.129 11.804 1.00 55.93 ? 258 PHE A O 1 ATOM 2047 C CB . PHE A 1 258 ? 42.687 -51.585 13.252 1.00 49.61 ? 258 PHE A CB 1 ATOM 2048 C CG . PHE A 1 258 ? 42.639 -50.506 12.223 1.00 50.66 ? 258 PHE A CG 1 ATOM 2049 C CD1 . PHE A 1 258 ? 41.745 -49.458 12.346 1.00 52.39 ? 258 PHE A CD1 1 ATOM 2050 C CD2 . PHE A 1 258 ? 43.500 -50.523 11.143 1.00 52.17 ? 258 PHE A CD2 1 ATOM 2051 C CE1 . PHE A 1 258 ? 41.697 -48.453 11.399 1.00 51.04 ? 258 PHE A CE1 1 ATOM 2052 C CE2 . PHE A 1 258 ? 43.457 -49.524 10.194 1.00 54.98 ? 258 PHE A CE2 1 ATOM 2053 C CZ . PHE A 1 258 ? 42.556 -48.487 10.327 1.00 50.66 ? 258 PHE A CZ 1 ATOM 2054 N N . VAL A 1 259 ? 41.556 -53.553 10.650 1.00 45.89 ? 259 VAL A N 1 ATOM 2055 C CA . VAL A 1 259 ? 42.009 -54.194 9.414 1.00 51.59 ? 259 VAL A CA 1 ATOM 2056 C C . VAL A 1 259 ? 42.529 -53.162 8.420 1.00 54.09 ? 259 VAL A C 1 ATOM 2057 O O . VAL A 1 259 ? 41.768 -52.336 7.913 1.00 50.11 ? 259 VAL A O 1 ATOM 2058 C CB . VAL A 1 259 ? 40.892 -55.006 8.728 1.00 53.64 ? 259 VAL A CB 1 ATOM 2059 C CG1 . VAL A 1 259 ? 41.486 -55.905 7.657 1.00 51.59 ? 259 VAL A CG1 1 ATOM 2060 C CG2 . VAL A 1 259 ? 40.142 -55.838 9.742 1.00 59.70 ? 259 VAL A CG2 1 ATOM 2061 N N . SER A 1 260 ? 43.828 -53.211 8.144 1.00 67.97 ? 260 SER A N 1 ATOM 2062 C CA . SER A 1 260 ? 44.441 -52.276 7.203 1.00 70.91 ? 260 SER A CA 1 ATOM 2063 C C . SER A 1 260 ? 44.088 -52.599 5.754 1.00 74.57 ? 260 SER A C 1 ATOM 2064 O O . SER A 1 260 ? 44.152 -53.754 5.334 1.00 78.38 ? 260 SER A O 1 ATOM 2065 C CB . SER A 1 260 ? 45.956 -52.271 7.367 1.00 73.37 ? 260 SER A CB 1 ATOM 2066 O OG . SER A 1 260 ? 46.501 -51.083 6.831 1.00 81.66 ? 260 SER A OG 1 ATOM 2067 N N . THR A 1 261 ? 43.720 -51.570 4.995 1.00 81.29 ? 261 THR A N 1 ATOM 2068 C CA . THR A 1 261 ? 43.376 -51.732 3.583 1.00 89.00 ? 261 THR A CA 1 ATOM 2069 C C . THR A 1 261 ? 44.630 -51.922 2.719 1.00 96.44 ? 261 THR A C 1 ATOM 2070 O O . THR A 1 261 ? 45.735 -51.529 3.101 1.00 95.58 ? 261 THR A O 1 ATOM 2071 C CB . THR A 1 261 ? 42.560 -50.516 3.052 1.00 87.01 ? 261 THR A CB 1 ATOM 2072 O OG1 . THR A 1 261 ? 41.734 -50.921 1.951 1.00 93.53 ? 261 THR A OG1 1 ATOM 2073 C CG2 . THR A 1 261 ? 43.482 -49.375 2.607 1.00 88.10 ? 261 THR A CG2 1 ATOM 2074 N N . ASN A 1 262 ? 44.454 -52.546 1.560 1.00 134.24 ? 262 ASN A N 1 ATOM 2075 C CA . ASN A 1 262 ? 45.540 -52.674 0.597 1.00 141.60 ? 262 ASN A CA 1 ATOM 2076 C C . ASN A 1 262 ? 45.344 -51.618 -0.491 1.00 140.66 ? 262 ASN A C 1 ATOM 2077 O O . ASN A 1 262 ? 46.294 -51.158 -1.119 1.00 144.15 ? 262 ASN A O 1 ATOM 2078 C CB . ASN A 1 262 ? 45.586 -54.088 0.011 1.00 144.80 ? 262 ASN A CB 1 ATOM 2079 C CG . ASN A 1 262 ? 46.876 -54.373 -0.757 1.00 151.17 ? 262 ASN A CG 1 ATOM 2080 O OD1 . ASN A 1 262 ? 47.373 -53.541 -1.517 1.00 154.14 ? 262 ASN A OD1 1 ATOM 2081 N ND2 . ASN A 1 262 ? 47.434 -55.557 -0.538 1.00 153.03 ? 262 ASN A ND2 1 ATOM 2082 N N . LYS A 1 263 ? 44.098 -51.199 -0.682 1.00 106.89 ? 263 LYS A N 1 ATOM 2083 C CA . LYS A 1 263 ? 43.806 -50.090 -1.583 1.00 103.61 ? 263 LYS A CA 1 ATOM 2084 C C . LYS A 1 263 ? 44.259 -48.753 -0.979 1.00 97.48 ? 263 LYS A C 1 ATOM 2085 O O . LYS A 1 263 ? 45.149 -48.708 -0.125 1.00 94.57 ? 263 LYS A O 1 ATOM 2086 C CB . LYS A 1 263 ? 42.311 -50.053 -1.919 1.00 103.45 ? 263 LYS A CB 1 ATOM 2087 C CG . LYS A 1 263 ? 41.655 -51.427 -1.969 1.00 106.91 ? 263 LYS A CG 1 ATOM 2088 C CD . LYS A 1 263 ? 41.781 -52.053 -3.356 1.00 114.04 ? 263 LYS A CD 1 ATOM 2089 C CE . LYS A 1 263 ? 41.068 -53.402 -3.427 1.00 116.37 ? 263 LYS A CE 1 ATOM 2090 N NZ . LYS A 1 263 ? 41.518 -54.250 -4.573 1.00 110.22 ? 263 LYS A NZ 1 ATOM 2091 N N . LYS A 1 264 ? 43.638 -47.664 -1.418 1.00 97.68 ? 264 LYS A N 1 ATOM 2092 C CA . LYS A 1 264 ? 44.128 -46.328 -1.082 1.00 97.52 ? 264 LYS A CA 1 ATOM 2093 C C . LYS A 1 264 ? 43.480 -45.746 0.178 1.00 91.14 ? 264 LYS A C 1 ATOM 2094 O O . LYS A 1 264 ? 44.174 -45.278 1.085 1.00 90.99 ? 264 LYS A O 1 ATOM 2095 C CB . LYS A 1 264 ? 43.914 -45.396 -2.277 1.00 87.61 ? 264 LYS A CB 1 ATOM 2096 C CG . LYS A 1 264 ? 44.388 -43.962 -2.104 1.00 78.27 ? 264 LYS A CG 1 ATOM 2097 C CD . LYS A 1 264 ? 44.011 -43.197 -3.359 1.00 83.90 ? 264 LYS A CD 1 ATOM 2098 C CE . LYS A 1 264 ? 44.268 -41.707 -3.269 1.00 76.69 ? 264 LYS A CE 1 ATOM 2099 N NZ . LYS A 1 264 ? 43.883 -41.094 -4.583 1.00 70.83 ? 264 LYS A NZ 1 ATOM 2100 N N . GLY A 1 265 ? 42.153 -45.779 0.241 1.00 72.13 ? 265 GLY A N 1 ATOM 2101 C CA . GLY A 1 265 ? 41.442 -45.233 1.386 1.00 66.83 ? 265 GLY A CA 1 ATOM 2102 C C . GLY A 1 265 ? 41.296 -43.723 1.328 1.00 57.67 ? 265 GLY A C 1 ATOM 2103 O O . GLY A 1 265 ? 42.187 -43.017 0.864 1.00 61.02 ? 265 GLY A O 1 ATOM 2104 N N . ALA A 1 266 ? 40.165 -43.217 1.795 1.00 46.94 ? 266 ALA A N 1 ATOM 2105 C CA . ALA A 1 266 ? 39.904 -41.789 1.709 1.00 44.33 ? 266 ALA A CA 1 ATOM 2106 C C . ALA A 1 266 ? 38.945 -41.331 2.796 1.00 44.50 ? 266 ALA A C 1 ATOM 2107 O O . ALA A 1 266 ? 38.100 -42.093 3.249 1.00 43.27 ? 266 ALA A O 1 ATOM 2108 C CB . ALA A 1 266 ? 39.346 -41.435 0.336 1.00 42.61 ? 266 ALA A CB 1 ATOM 2109 N N . VAL A 1 267 ? 39.088 -40.077 3.207 1.00 48.16 ? 267 VAL A N 1 ATOM 2110 C CA . VAL A 1 267 ? 38.172 -39.459 4.145 1.00 37.92 ? 267 VAL A CA 1 ATOM 2111 C C . VAL A 1 267 ? 37.619 -38.192 3.515 1.00 46.57 ? 267 VAL A C 1 ATOM 2112 O O . VAL A 1 267 ? 38.237 -37.133 3.595 1.00 53.93 ? 267 VAL A O 1 ATOM 2113 C CB . VAL A 1 267 ? 38.860 -39.134 5.483 1.00 44.08 ? 267 VAL A CB 1 ATOM 2114 C CG1 . VAL A 1 267 ? 37.872 -38.498 6.456 1.00 45.43 ? 267 VAL A CG1 1 ATOM 2115 C CG2 . VAL A 1 267 ? 39.460 -40.400 6.091 1.00 44.23 ? 267 VAL A CG2 1 ATOM 2116 N N . PHE A 1 268 ? 36.463 -38.307 2.863 1.00 47.45 ? 268 PHE A N 1 ATOM 2117 C CA . PHE A 1 268 ? 35.866 -37.174 2.161 1.00 45.07 ? 268 PHE A CA 1 ATOM 2118 C C . PHE A 1 268 ? 35.043 -36.286 3.086 1.00 53.48 ? 268 PHE A C 1 ATOM 2119 O O . PHE A 1 268 ? 34.101 -36.757 3.712 1.00 58.82 ? 268 PHE A O 1 ATOM 2120 C CB . PHE A 1 268 ? 34.970 -37.657 1.018 1.00 46.75 ? 268 PHE A CB 1 ATOM 2121 C CG . PHE A 1 268 ? 35.700 -38.366 -0.089 1.00 44.85 ? 268 PHE A CG 1 ATOM 2122 C CD1 . PHE A 1 268 ? 36.977 -37.983 -0.465 1.00 47.78 ? 268 PHE A CD1 1 ATOM 2123 C CD2 . PHE A 1 268 ? 35.092 -39.409 -0.771 1.00 44.15 ? 268 PHE A CD2 1 ATOM 2124 C CE1 . PHE A 1 268 ? 37.640 -38.639 -1.501 1.00 45.56 ? 268 PHE A CE1 1 ATOM 2125 C CE2 . PHE A 1 268 ? 35.746 -40.064 -1.803 1.00 45.07 ? 268 PHE A CE2 1 ATOM 2126 C CZ . PHE A 1 268 ? 37.021 -39.679 -2.167 1.00 44.23 ? 268 PHE A CZ 1 ATOM 2127 N N . LYS A 1 269 ? 35.391 -35.003 3.165 1.00 57.45 ? 269 LYS A N 1 ATOM 2128 C CA . LYS A 1 269 ? 34.555 -34.020 3.852 1.00 50.45 ? 269 LYS A CA 1 ATOM 2129 C C . LYS A 1 269 ? 33.597 -33.402 2.840 1.00 55.47 ? 269 LYS A C 1 ATOM 2130 O O . LYS A 1 269 ? 33.994 -32.601 1.998 1.00 59.67 ? 269 LYS A O 1 ATOM 2131 C CB . LYS A 1 269 ? 35.405 -32.940 4.527 1.00 53.28 ? 269 LYS A CB 1 ATOM 2132 C CG . LYS A 1 269 ? 36.143 -33.416 5.776 1.00 60.10 ? 269 LYS A CG 1 ATOM 2133 C CD . LYS A 1 269 ? 37.145 -32.379 6.276 1.00 64.55 ? 269 LYS A CD 1 ATOM 2134 C CE . LYS A 1 269 ? 38.452 -32.442 5.486 1.00 71.38 ? 269 LYS A CE 1 ATOM 2135 N NZ . LYS A 1 269 ? 39.436 -31.400 5.910 1.00 76.03 ? 269 LYS A NZ 1 ATOM 2136 N N . SER A 1 270 ? 32.330 -33.776 2.929 1.00 56.27 ? 270 SER A N 1 ATOM 2137 C CA . SER A 1 270 ? 31.367 -33.433 1.896 1.00 55.22 ? 270 SER A CA 1 ATOM 2138 C C . SER A 1 270 ? 29.939 -33.566 2.408 1.00 58.92 ? 270 SER A C 1 ATOM 2139 O O . SER A 1 270 ? 29.673 -34.380 3.292 1.00 57.40 ? 270 SER A O 1 ATOM 2140 C CB . SER A 1 270 ? 31.578 -34.338 0.680 1.00 52.02 ? 270 SER A CB 1 ATOM 2141 O OG . SER A 1 270 ? 30.604 -34.109 -0.318 1.00 50.57 ? 270 SER A OG 1 ATOM 2142 N N . ASP A 1 271 ? 29.020 -32.782 1.847 1.00 64.46 ? 271 ASP A N 1 ATOM 2143 C CA . ASP A 1 271 ? 27.606 -32.920 2.194 1.00 67.85 ? 271 ASP A CA 1 ATOM 2144 C C . ASP A 1 271 ? 26.797 -33.558 1.063 1.00 65.44 ? 271 ASP A C 1 ATOM 2145 O O . ASP A 1 271 ? 25.575 -33.434 1.023 1.00 71.66 ? 271 ASP A O 1 ATOM 2146 C CB . ASP A 1 271 ? 26.996 -31.561 2.587 1.00 71.43 ? 271 ASP A CB 1 ATOM 2147 C CG . ASP A 1 271 ? 27.084 -30.517 1.480 1.00 81.81 ? 271 ASP A CG 1 ATOM 2148 O OD1 . ASP A 1 271 ? 26.937 -29.315 1.800 1.00 91.73 ? 271 ASP A OD1 1 ATOM 2149 O OD2 . ASP A 1 271 ? 27.291 -30.878 0.300 1.00 80.41 ? 271 ASP A OD2 1 ATOM 2150 N N . LEU A 1 272 ? 27.484 -34.239 0.151 1.00 57.93 ? 272 LEU A N 1 ATOM 2151 C CA . LEU A 1 272 ? 26.830 -34.909 -0.972 1.00 60.41 ? 272 LEU A CA 1 ATOM 2152 C C . LEU A 1 272 ? 26.069 -36.154 -0.527 1.00 59.49 ? 272 LEU A C 1 ATOM 2153 O O . LEU A 1 272 ? 26.497 -36.852 0.391 1.00 57.97 ? 272 LEU A O 1 ATOM 2154 C CB . LEU A 1 272 ? 27.856 -35.292 -2.051 1.00 52.12 ? 272 LEU A CB 1 ATOM 2155 C CG . LEU A 1 272 ? 28.424 -34.186 -2.946 1.00 56.59 ? 272 LEU A CG 1 ATOM 2156 C CD1 . LEU A 1 272 ? 29.506 -34.746 -3.859 1.00 49.36 ? 272 LEU A CD1 1 ATOM 2157 C CD2 . LEU A 1 272 ? 27.325 -33.529 -3.769 1.00 52.90 ? 272 LEU A CD2 1 ATOM 2158 N N . PRO A 1 273 ? 24.938 -36.442 -1.187 1.00 56.81 ? 273 PRO A N 1 ATOM 2159 C CA . PRO A 1 273 ? 24.131 -37.619 -0.859 1.00 53.60 ? 273 PRO A CA 1 ATOM 2160 C C . PRO A 1 273 ? 24.813 -38.944 -1.167 1.00 56.06 ? 273 PRO A C 1 ATOM 2161 O O . PRO A 1 273 ? 25.428 -39.087 -2.219 1.00 64.19 ? 273 PRO A O 1 ATOM 2162 C CB . PRO A 1 273 ? 22.888 -37.445 -1.739 1.00 61.86 ? 273 PRO A CB 1 ATOM 2163 C CG . PRO A 1 273 ? 23.332 -36.570 -2.858 1.00 59.80 ? 273 PRO A CG 1 ATOM 2164 C CD . PRO A 1 273 ? 24.293 -35.611 -2.217 1.00 59.81 ? 273 PRO A CD 1 ATOM 2165 N N . ILE A 1 274 ? 24.697 -39.893 -0.245 1.00 58.35 ? 274 ILE A N 1 ATOM 2166 C CA . ILE A 1 274 ? 25.079 -41.284 -0.471 1.00 57.72 ? 274 ILE A CA 1 ATOM 2167 C C . ILE A 1 274 ? 23.866 -42.052 -0.976 1.00 66.70 ? 274 ILE A C 1 ATOM 2168 O O . ILE A 1 274 ? 22.835 -42.099 -0.301 1.00 74.82 ? 274 ILE A O 1 ATOM 2169 C CB . ILE A 1 274 ? 25.600 -41.956 0.816 1.00 54.93 ? 274 ILE A CB 1 ATOM 2170 C CG1 . ILE A 1 274 ? 26.742 -41.137 1.421 1.00 57.70 ? 274 ILE A CG1 1 ATOM 2171 C CG2 . ILE A 1 274 ? 26.019 -43.402 0.554 1.00 49.01 ? 274 ILE A CG2 1 ATOM 2172 C CD1 . ILE A 1 274 ? 27.494 -41.855 2.512 1.00 49.89 ? 274 ILE A CD1 1 ATOM 2173 N N . GLU A 1 275 ? 23.979 -42.650 -2.156 1.00 67.56 ? 275 GLU A N 1 ATOM 2174 C CA . GLU A 1 275 ? 22.839 -43.310 -2.774 1.00 65.26 ? 275 GLU A CA 1 ATOM 2175 C C . GLU A 1 275 ? 23.137 -44.778 -3.067 1.00 71.18 ? 275 GLU A C 1 ATOM 2176 O O . GLU A 1 275 ? 24.261 -45.244 -2.880 1.00 70.99 ? 275 GLU A O 1 ATOM 2177 C CB . GLU A 1 275 ? 22.428 -42.569 -4.047 1.00 66.93 ? 275 GLU A CB 1 ATOM 2178 C CG . GLU A 1 275 ? 22.084 -41.093 -3.819 1.00 66.31 ? 275 GLU A CG 1 ATOM 2179 C CD . GLU A 1 275 ? 21.635 -40.376 -5.091 1.00 73.13 ? 275 GLU A CD 1 ATOM 2180 O OE1 . GLU A 1 275 ? 21.577 -41.026 -6.160 1.00 76.98 ? 275 GLU A OE1 1 ATOM 2181 O OE2 . GLU A 1 275 ? 21.336 -39.162 -5.023 1.00 69.70 ? 275 GLU A OE2 1 ATOM 2182 N N . ASN A 1 276 ? 22.117 -45.508 -3.505 1.00 78.03 ? 276 ASN A N 1 ATOM 2183 C CA . ASN A 1 276 ? 22.252 -46.939 -3.737 1.00 85.51 ? 276 ASN A CA 1 ATOM 2184 C C . ASN A 1 276 ? 22.651 -47.238 -5.183 1.00 83.49 ? 276 ASN A C 1 ATOM 2185 O O . ASN A 1 276 ? 21.810 -47.552 -6.026 1.00 81.78 ? 276 ASN A O 1 ATOM 2186 C CB . ASN A 1 276 ? 20.950 -47.662 -3.384 1.00 89.97 ? 276 ASN A CB 1 ATOM 2187 C CG . ASN A 1 276 ? 21.140 -49.159 -3.224 1.00 96.00 ? 276 ASN A CG 1 ATOM 2188 O OD1 . ASN A 1 276 ? 22.115 -49.615 -2.616 1.00 92.70 ? 276 ASN A OD1 1 ATOM 2189 N ND2 . ASN A 1 276 ? 20.213 -49.937 -3.786 1.00 92.90 ? 276 ASN A ND2 1 ATOM 2190 N N . CYS A 1 277 ? 23.947 -47.128 -5.455 1.00 82.13 ? 277 CYS A N 1 ATOM 2191 C CA . CYS A 1 277 ? 24.491 -47.330 -6.793 1.00 78.97 ? 277 CYS A CA 1 ATOM 2192 C C . CYS A 1 277 ? 25.938 -47.802 -6.707 1.00 75.98 ? 277 CYS A C 1 ATOM 2193 O O . CYS A 1 277 ? 26.540 -47.797 -5.630 1.00 74.15 ? 277 CYS A O 1 ATOM 2194 C CB . CYS A 1 277 ? 24.398 -46.040 -7.612 1.00 74.73 ? 277 CYS A CB 1 ATOM 2195 S SG . CYS A 1 277 ? 25.297 -44.631 -6.891 1.00 89.54 ? 277 CYS A SG 1 ATOM 2196 N N . ASP A 1 278 ? 26.494 -48.220 -7.837 1.00 77.84 ? 278 ASP A N 1 ATOM 2197 C CA . ASP A 1 278 ? 27.885 -48.651 -7.863 1.00 73.72 ? 278 ASP A CA 1 ATOM 2198 C C . ASP A 1 278 ? 28.757 -47.783 -8.753 1.00 73.64 ? 278 ASP A C 1 ATOM 2199 O O . ASP A 1 278 ? 28.279 -47.148 -9.695 1.00 75.74 ? 278 ASP A O 1 ATOM 2200 C CB . ASP A 1 278 ? 27.983 -50.103 -8.305 1.00 69.25 ? 278 ASP A CB 1 ATOM 2201 C CG . ASP A 1 278 ? 27.993 -51.048 -7.138 1.00 85.80 ? 278 ASP A CG 1 ATOM 2202 O OD1 . ASP A 1 278 ? 27.849 -50.562 -5.994 1.00 92.54 ? 278 ASP A OD1 1 ATOM 2203 O OD2 . ASP A 1 278 ? 28.149 -52.267 -7.356 1.00 90.16 ? 278 ASP A OD2 1 ATOM 2204 N N . ALA A 1 279 ? 30.047 -47.762 -8.442 1.00 59.84 ? 279 ALA A N 1 ATOM 2205 C CA . ALA A 1 279 ? 30.994 -46.969 -9.201 1.00 53.98 ? 279 ALA A CA 1 ATOM 2206 C C . ALA A 1 279 ? 32.362 -47.624 -9.181 1.00 53.73 ? 279 ALA A C 1 ATOM 2207 O O . ALA A 1 279 ? 32.656 -48.449 -8.318 1.00 55.86 ? 279 ALA A O 1 ATOM 2208 C CB . ALA A 1 279 ? 31.072 -45.561 -8.646 1.00 50.67 ? 279 ALA A CB 1 ATOM 2209 N N . THR A 1 280 ? 33.193 -47.264 -10.151 1.00 57.10 ? 280 THR A N 1 ATOM 2210 C CA . THR A 1 280 ? 34.590 -47.678 -10.149 1.00 53.44 ? 280 THR A CA 1 ATOM 2211 C C . THR A 1 280 ? 35.481 -46.474 -9.837 1.00 49.88 ? 280 THR A C 1 ATOM 2212 O O . THR A 1 280 ? 36.625 -46.622 -9.401 1.00 48.46 ? 280 THR A O 1 ATOM 2213 C CB . THR A 1 280 ? 34.987 -48.301 -11.491 1.00 52.17 ? 280 THR A CB 1 ATOM 2214 O OG1 . THR A 1 280 ? 34.452 -47.505 -12.555 1.00 64.03 ? 280 THR A OG1 1 ATOM 2215 C CG2 . THR A 1 280 ? 34.420 -49.701 -11.603 1.00 49.81 ? 280 THR A CG2 1 ATOM 2216 N N . CYS A 1 281 ? 34.932 -45.282 -10.048 1.00 47.32 ? 281 CYS A N 1 ATOM 2217 C CA . CYS A 1 281 ? 35.670 -44.047 -9.850 1.00 45.57 ? 281 CYS A CA 1 ATOM 2218 C C . CYS A 1 281 ? 34.868 -43.048 -9.031 1.00 48.30 ? 281 CYS A C 1 ATOM 2219 O O . CYS A 1 281 ? 33.841 -42.540 -9.485 1.00 50.12 ? 281 CYS A O 1 ATOM 2220 C CB . CYS A 1 281 ? 36.049 -43.435 -11.201 1.00 46.77 ? 281 CYS A CB 1 ATOM 2221 S SG . CYS A 1 281 ? 36.709 -41.759 -11.097 1.00 52.36 ? 281 CYS A SG 1 ATOM 2222 N N . GLN A 1 282 ? 35.348 -42.751 -7.829 1.00 46.27 ? 282 GLN A N 1 ATOM 2223 C CA . GLN A 1 282 ? 34.633 -41.847 -6.935 1.00 44.00 ? 282 GLN A CA 1 ATOM 2224 C C . GLN A 1 282 ? 35.501 -40.675 -6.511 1.00 42.98 ? 282 GLN A C 1 ATOM 2225 O O . GLN A 1 282 ? 36.468 -40.849 -5.763 1.00 41.22 ? 282 GLN A O 1 ATOM 2226 C CB . GLN A 1 282 ? 34.141 -42.598 -5.693 1.00 43.32 ? 282 GLN A CB 1 ATOM 2227 C CG . GLN A 1 282 ? 33.379 -41.725 -4.706 1.00 43.07 ? 282 GLN A CG 1 ATOM 2228 C CD . GLN A 1 282 ? 31.998 -41.377 -5.200 1.00 47.24 ? 282 GLN A CD 1 ATOM 2229 O OE1 . GLN A 1 282 ? 31.180 -42.259 -5.430 1.00 53.23 ? 282 GLN A OE1 1 ATOM 2230 N NE2 . GLN A 1 282 ? 31.729 -40.088 -5.373 1.00 45.82 ? 282 GLN A NE2 1 ATOM 2231 N N . THR A 1 283 ? 35.164 -39.482 -6.986 1.00 40.41 ? 283 THR A N 1 ATOM 2232 C CA . THR A 1 283 ? 35.876 -38.293 -6.546 1.00 42.79 ? 283 THR A CA 1 ATOM 2233 C C . THR A 1 283 ? 35.076 -37.623 -5.449 1.00 46.06 ? 283 THR A C 1 ATOM 2234 O O . THR A 1 283 ? 33.897 -37.916 -5.265 1.00 46.32 ? 283 THR A O 1 ATOM 2235 C CB . THR A 1 283 ? 36.125 -37.290 -7.691 1.00 42.59 ? 283 THR A CB 1 ATOM 2236 O OG1 . THR A 1 283 ? 34.963 -36.473 -7.885 1.00 45.32 ? 283 THR A OG1 1 ATOM 2237 C CG2 . THR A 1 283 ? 36.465 -38.024 -8.979 1.00 42.63 ? 283 THR A CG2 1 ATOM 2238 N N . ILE A 1 284 ? 35.722 -36.718 -4.729 1.00 41.65 ? 284 ILE A N 1 ATOM 2239 C CA . ILE A 1 284 ? 35.102 -36.056 -3.601 1.00 42.41 ? 284 ILE A CA 1 ATOM 2240 C C . ILE A 1 284 ? 33.889 -35.230 -4.022 1.00 45.57 ? 284 ILE A C 1 ATOM 2241 O O . ILE A 1 284 ? 33.020 -34.941 -3.202 1.00 49.99 ? 284 ILE A O 1 ATOM 2242 C CB . ILE A 1 284 ? 36.119 -35.155 -2.869 1.00 47.23 ? 284 ILE A CB 1 ATOM 2243 C CG1 . ILE A 1 284 ? 35.546 -34.664 -1.528 1.00 43.61 ? 284 ILE A CG1 1 ATOM 2244 C CG2 . ILE A 1 284 ? 36.574 -34.013 -3.784 1.00 39.17 ? 284 ILE A CG2 1 ATOM 2245 C CD1 . ILE A 1 284 ? 36.536 -33.910 -0.676 1.00 39.19 ? 284 ILE A CD1 1 ATOM 2246 N N . THR A 1 285 ? 33.817 -34.866 -5.301 1.00 53.77 ? 285 THR A N 1 ATOM 2247 C CA . THR A 1 285 ? 32.718 -34.030 -5.780 1.00 53.29 ? 285 THR A CA 1 ATOM 2248 C C . THR A 1 285 ? 31.773 -34.777 -6.714 1.00 49.80 ? 285 THR A C 1 ATOM 2249 O O . THR A 1 285 ? 30.905 -34.165 -7.334 1.00 51.41 ? 285 THR A O 1 ATOM 2250 C CB . THR A 1 285 ? 33.233 -32.772 -6.506 1.00 55.61 ? 285 THR A CB 1 ATOM 2251 O OG1 . THR A 1 285 ? 34.009 -33.164 -7.642 1.00 60.06 ? 285 THR A OG1 1 ATOM 2252 C CG2 . THR A 1 285 ? 34.094 -31.922 -5.574 1.00 54.31 ? 285 THR A CG2 1 ATOM 2253 N N . GLY A 1 286 ? 31.927 -36.096 -6.802 1.00 40.91 ? 286 GLY A N 1 ATOM 2254 C CA . GLY A 1 286 ? 31.007 -36.904 -7.582 1.00 45.48 ? 286 GLY A CA 1 ATOM 2255 C C . GLY A 1 286 ? 31.621 -38.112 -8.271 1.00 46.41 ? 286 GLY A C 1 ATOM 2256 O O . GLY A 1 286 ? 32.843 -38.241 -8.350 1.00 42.27 ? 286 GLY A O 1 ATOM 2257 N N . VAL A 1 287 ? 30.755 -38.995 -8.765 1.00 47.50 ? 287 VAL A N 1 ATOM 2258 C CA . VAL A 1 287 ? 31.154 -40.172 -9.531 1.00 47.97 ? 287 VAL A CA 1 ATOM 2259 C C . VAL A 1 287 ? 31.508 -39.791 -10.965 1.00 50.05 ? 287 VAL A C 1 ATOM 2260 O O . VAL A 1 287 ? 30.887 -38.900 -11.550 1.00 50.28 ? 287 VAL A O 1 ATOM 2261 C CB . VAL A 1 287 ? 30.021 -41.239 -9.549 1.00 53.07 ? 287 VAL A CB 1 ATOM 2262 C CG1 . VAL A 1 287 ? 30.408 -42.454 -10.370 1.00 41.52 ? 287 VAL A CG1 1 ATOM 2263 C CG2 . VAL A 1 287 ? 29.674 -41.658 -8.138 1.00 56.14 ? 287 VAL A CG2 1 ATOM 2264 N N . LEU A 1 288 ? 32.523 -40.448 -11.519 1.00 51.02 ? 288 LEU A N 1 ATOM 2265 C CA . LEU A 1 288 ? 32.816 -40.331 -12.945 1.00 58.95 ? 288 LEU A CA 1 ATOM 2266 C C . LEU A 1 288 ? 32.539 -41.653 -13.649 1.00 54.41 ? 288 LEU A C 1 ATOM 2267 O O . LEU A 1 288 ? 33.049 -42.698 -13.255 1.00 56.22 ? 288 LEU A O 1 ATOM 2268 C CB . LEU A 1 288 ? 34.271 -39.920 -13.187 1.00 58.59 ? 288 LEU A CB 1 ATOM 2269 C CG . LEU A 1 288 ? 34.788 -38.633 -12.560 1.00 54.78 ? 288 LEU A CG 1 ATOM 2270 C CD1 . LEU A 1 288 ? 36.191 -38.382 -13.066 1.00 48.82 ? 288 LEU A CD1 1 ATOM 2271 C CD2 . LEU A 1 288 ? 33.873 -37.474 -12.895 1.00 53.98 ? 288 LEU A CD2 1 ATOM 2272 N N . ARG A 1 289 ? 31.727 -41.611 -14.690 1.00 52.88 ? 289 ARG A N 1 ATOM 2273 C CA . ARG A 1 289 ? 31.517 -42.801 -15.489 1.00 58.56 ? 289 ARG A CA 1 ATOM 2274 C C . ARG A 1 289 ? 32.087 -42.572 -16.890 1.00 61.71 ? 289 ARG A C 1 ATOM 2275 O O . ARG A 1 289 ? 31.431 -41.971 -17.745 1.00 58.99 ? 289 ARG A O 1 ATOM 2276 C CB . ARG A 1 289 ? 30.032 -43.151 -15.527 1.00 63.17 ? 289 ARG A CB 1 ATOM 2277 C CG . ARG A 1 289 ? 29.710 -44.464 -14.840 1.00 65.28 ? 289 ARG A CG 1 ATOM 2278 C CD . ARG A 1 289 ? 28.217 -44.656 -14.630 1.00 67.66 ? 289 ARG A CD 1 ATOM 2279 N NE . ARG A 1 289 ? 27.769 -44.167 -13.326 1.00 63.08 ? 289 ARG A NE 1 ATOM 2280 C CZ . ARG A 1 289 ? 27.839 -44.881 -12.203 1.00 67.30 ? 289 ARG A CZ 1 ATOM 2281 N NH1 . ARG A 1 289 ? 28.360 -46.105 -12.226 1.00 55.77 ? 289 ARG A NH1 1 ATOM 2282 N NH2 . ARG A 1 289 ? 27.406 -44.369 -11.053 1.00 65.36 ? 289 ARG A NH2 1 ATOM 2283 N N . THR A 1 290 ? 33.322 -43.026 -17.106 1.00 60.48 ? 290 THR A N 1 ATOM 2284 C CA . THR A 1 290 ? 34.015 -42.769 -18.369 1.00 55.13 ? 290 THR A CA 1 ATOM 2285 C C . THR A 1 290 ? 34.988 -43.814 -18.835 1.00 54.07 ? 290 THR A C 1 ATOM 2286 O O . THR A 1 290 ? 35.441 -44.665 -18.070 1.00 55.73 ? 290 THR A O 1 ATOM 2287 C CB . THR A 1 290 ? 34.841 -41.479 -18.338 1.00 55.58 ? 290 THR A CB 1 ATOM 2288 O OG1 . THR A 1 290 ? 35.293 -41.204 -17.000 1.00 54.49 ? 290 THR A OG1 1 ATOM 2289 C CG2 . THR A 1 290 ? 34.042 -40.366 -18.849 1.00 53.30 ? 290 THR A CG2 1 ATOM 2290 N N . ASN A 1 291 ? 35.314 -43.686 -20.118 1.00 61.73 ? 291 ASN A N 1 ATOM 2291 C CA . ASN A 1 291 ? 36.407 -44.391 -20.763 1.00 63.25 ? 291 ASN A CA 1 ATOM 2292 C C . ASN A 1 291 ? 37.546 -43.404 -21.026 1.00 58.52 ? 291 ASN A C 1 ATOM 2293 O O . ASN A 1 291 ? 38.650 -43.787 -21.397 1.00 60.17 ? 291 ASN A O 1 ATOM 2294 C CB . ASN A 1 291 ? 35.931 -45.006 -22.074 1.00 62.95 ? 291 ASN A CB 1 ATOM 2295 C CG . ASN A 1 291 ? 35.400 -43.956 -23.035 1.00 71.35 ? 291 ASN A CG 1 ATOM 2296 O OD1 . ASN A 1 291 ? 34.646 -43.060 -22.639 1.00 69.83 ? 291 ASN A OD1 1 ATOM 2297 N ND2 . ASN A 1 291 ? 35.806 -44.046 -24.299 1.00 79.76 ? 291 ASN A ND2 1 ATOM 2298 N N . LYS A 1 292 ? 37.258 -42.122 -20.831 1.00 54.28 ? 292 LYS A N 1 ATOM 2299 C CA . LYS A 1 292 ? 38.199 -41.071 -21.179 1.00 47.95 ? 292 LYS A CA 1 ATOM 2300 C C . LYS A 1 292 ? 39.437 -41.063 -20.296 1.00 44.36 ? 292 LYS A C 1 ATOM 2301 O O . LYS A 1 292 ? 39.438 -41.597 -19.187 1.00 49.49 ? 292 LYS A O 1 ATOM 2302 C CB . LYS A 1 292 ? 37.501 -39.711 -21.149 1.00 48.97 ? 292 LYS A CB 1 ATOM 2303 C CG . LYS A 1 292 ? 36.709 -39.478 -22.427 1.00 47.95 ? 292 LYS A CG 1 ATOM 2304 C CD . LYS A 1 292 ? 35.721 -38.349 -22.324 1.00 52.99 ? 292 LYS A CD 1 ATOM 2305 C CE . LYS A 1 292 ? 34.812 -38.346 -23.548 1.00 55.47 ? 292 LYS A CE 1 ATOM 2306 N NZ . LYS A 1 292 ? 33.719 -37.339 -23.408 1.00 66.21 ? 292 LYS A NZ 1 ATOM 2307 N N . THR A 1 293 ? 40.494 -40.451 -20.825 1.00 42.68 ? 293 THR A N 1 ATOM 2308 C CA . THR A 1 293 ? 41.848 -40.558 -20.297 1.00 41.85 ? 293 THR A CA 1 ATOM 2309 C C . THR A 1 293 ? 42.157 -39.472 -19.261 1.00 40.14 ? 293 THR A C 1 ATOM 2310 O O . THR A 1 293 ? 42.971 -39.670 -18.358 1.00 32.01 ? 293 THR A O 1 ATOM 2311 C CB . THR A 1 293 ? 42.863 -40.483 -21.459 1.00 40.38 ? 293 THR A CB 1 ATOM 2312 O OG1 . THR A 1 293 ? 42.482 -41.427 -22.464 1.00 49.66 ? 293 THR A OG1 1 ATOM 2313 C CG2 . THR A 1 293 ? 44.282 -40.787 -20.995 1.00 40.72 ? 293 THR A CG2 1 ATOM 2314 N N . PHE A 1 294 ? 41.500 -38.328 -19.419 1.00 35.26 ? 294 PHE A N 1 ATOM 2315 C CA . PHE A 1 294 ? 41.689 -37.182 -18.547 1.00 38.03 ? 294 PHE A CA 1 ATOM 2316 C C . PHE A 1 294 ? 40.368 -36.778 -17.918 1.00 39.20 ? 294 PHE A C 1 ATOM 2317 O O . PHE A 1 294 ? 39.303 -37.151 -18.409 1.00 37.43 ? 294 PHE A O 1 ATOM 2318 C CB . PHE A 1 294 ? 42.263 -35.988 -19.320 1.00 38.11 ? 294 PHE A CB 1 ATOM 2319 C CG . PHE A 1 294 ? 43.574 -36.263 -19.993 1.00 38.73 ? 294 PHE A CG 1 ATOM 2320 C CD1 . PHE A 1 294 ? 44.761 -36.223 -19.272 1.00 32.17 ? 294 PHE A CD1 1 ATOM 2321 C CD2 . PHE A 1 294 ? 43.624 -36.547 -21.356 1.00 38.07 ? 294 PHE A CD2 1 ATOM 2322 C CE1 . PHE A 1 294 ? 45.964 -36.471 -19.890 1.00 31.75 ? 294 PHE A CE1 1 ATOM 2323 C CE2 . PHE A 1 294 ? 44.833 -36.791 -21.985 1.00 35.54 ? 294 PHE A CE2 1 ATOM 2324 C CZ . PHE A 1 294 ? 46.004 -36.756 -21.255 1.00 33.45 ? 294 PHE A CZ 1 ATOM 2325 N N . GLN A 1 295 ? 40.442 -36.000 -16.841 1.00 36.45 ? 295 GLN A N 1 ATOM 2326 C CA . GLN A 1 295 ? 39.252 -35.401 -16.246 1.00 37.20 ? 295 GLN A CA 1 ATOM 2327 C C . GLN A 1 295 ? 39.630 -34.115 -15.528 1.00 40.28 ? 295 GLN A C 1 ATOM 2328 O O . GLN A 1 295 ? 40.726 -34.012 -14.973 1.00 39.35 ? 295 GLN A O 1 ATOM 2329 C CB . GLN A 1 295 ? 38.562 -36.381 -15.289 1.00 36.86 ? 295 GLN A CB 1 ATOM 2330 C CG . GLN A 1 295 ? 39.473 -36.986 -14.232 1.00 37.75 ? 295 GLN A CG 1 ATOM 2331 C CD . GLN A 1 295 ? 39.435 -36.230 -12.914 1.00 37.39 ? 295 GLN A CD 1 ATOM 2332 O OE1 . GLN A 1 295 ? 38.660 -35.285 -12.746 1.00 39.38 ? 295 GLN A OE1 1 ATOM 2333 N NE2 . GLN A 1 295 ? 40.273 -36.646 -11.971 1.00 33.33 ? 295 GLN A NE2 1 ATOM 2334 N N . ASN A 1 296 ? 38.738 -33.126 -15.559 1.00 35.73 ? 296 ASN A N 1 ATOM 2335 C CA . ASN A 1 296 ? 38.991 -31.871 -14.865 1.00 35.29 ? 296 ASN A CA 1 ATOM 2336 C C . ASN A 1 296 ? 38.033 -31.653 -13.683 1.00 38.79 ? 296 ASN A C 1 ATOM 2337 O O . ASN A 1 296 ? 37.717 -30.521 -13.314 1.00 37.98 ? 296 ASN A O 1 ATOM 2338 C CB . ASN A 1 296 ? 38.909 -30.705 -15.850 1.00 33.77 ? 296 ASN A CB 1 ATOM 2339 C CG . ASN A 1 296 ? 37.507 -30.472 -16.373 1.00 38.84 ? 296 ASN A CG 1 ATOM 2340 O OD1 . ASN A 1 296 ? 36.596 -31.257 -16.121 1.00 39.72 ? 296 ASN A OD1 1 ATOM 2341 N ND2 . ASN A 1 296 ? 37.333 -29.398 -17.128 1.00 38.52 ? 296 ASN A ND2 1 ATOM 2342 N N . VAL A 1 297 ? 37.567 -32.746 -13.092 1.00 39.19 ? 297 VAL A N 1 ATOM 2343 C CA . VAL A 1 297 ? 36.578 -32.655 -12.016 1.00 41.50 ? 297 VAL A CA 1 ATOM 2344 C C . VAL A 1 297 ? 37.224 -32.502 -10.636 1.00 39.13 ? 297 VAL A C 1 ATOM 2345 O O . VAL A 1 297 ? 36.892 -31.584 -9.906 1.00 39.54 ? 297 VAL A O 1 ATOM 2346 C CB . VAL A 1 297 ? 35.657 -33.887 -12.009 1.00 44.14 ? 297 VAL A CB 1 ATOM 2347 C CG1 . VAL A 1 297 ? 34.748 -33.861 -10.804 1.00 40.66 ? 297 VAL A CG1 1 ATOM 2348 C CG2 . VAL A 1 297 ? 34.849 -33.947 -13.303 1.00 44.29 ? 297 VAL A CG2 1 ATOM 2349 N N . SER A 1 298 ? 38.154 -33.393 -10.299 1.00 36.86 ? 298 SER A N 1 ATOM 2350 C CA . SER A 1 298 ? 38.827 -33.351 -9.009 1.00 38.74 ? 298 SER A CA 1 ATOM 2351 C C . SER A 1 298 ? 40.127 -34.161 -8.954 1.00 38.41 ? 298 SER A C 1 ATOM 2352 O O . SER A 1 298 ? 40.203 -35.261 -9.502 1.00 36.81 ? 298 SER A O 1 ATOM 2353 C CB . SER A 1 298 ? 37.886 -33.856 -7.909 1.00 42.94 ? 298 SER A CB 1 ATOM 2354 O OG . SER A 1 298 ? 38.546 -33.863 -6.654 1.00 40.72 ? 298 SER A OG 1 ATOM 2355 N N . PRO A 1 299 ? 41.146 -33.624 -8.260 1.00 37.44 ? 299 PRO A N 1 ATOM 2356 C CA . PRO A 1 299 ? 42.382 -34.345 -7.928 1.00 36.41 ? 299 PRO A CA 1 ATOM 2357 C C . PRO A 1 299 ? 42.193 -35.391 -6.822 1.00 40.69 ? 299 PRO A C 1 ATOM 2358 O O . PRO A 1 299 ? 43.072 -36.219 -6.593 1.00 45.08 ? 299 PRO A O 1 ATOM 2359 C CB . PRO A 1 299 ? 43.306 -33.230 -7.436 1.00 38.64 ? 299 PRO A CB 1 ATOM 2360 C CG . PRO A 1 299 ? 42.368 -32.228 -6.834 1.00 34.24 ? 299 PRO A CG 1 ATOM 2361 C CD . PRO A 1 299 ? 41.154 -32.249 -7.725 1.00 35.43 ? 299 PRO A CD 1 ATOM 2362 N N . LEU A 1 300 ? 41.055 -35.335 -6.139 1.00 43.84 ? 300 LEU A N 1 ATOM 2363 C CA . LEU A 1 300 ? 40.813 -36.144 -4.951 1.00 41.84 ? 300 LEU A CA 1 ATOM 2364 C C . LEU A 1 300 ? 39.829 -37.272 -5.229 1.00 41.58 ? 300 LEU A C 1 ATOM 2365 O O . LEU A 1 300 ? 38.659 -37.030 -5.522 1.00 43.81 ? 300 LEU A O 1 ATOM 2366 C CB . LEU A 1 300 ? 40.286 -35.254 -3.831 1.00 44.01 ? 300 LEU A CB 1 ATOM 2367 C CG . LEU A 1 300 ? 40.846 -35.481 -2.441 1.00 53.73 ? 300 LEU A CG 1 ATOM 2368 C CD1 . LEU A 1 300 ? 42.340 -35.692 -2.516 1.00 50.38 ? 300 LEU A CD1 1 ATOM 2369 C CD2 . LEU A 1 300 ? 40.524 -34.253 -1.617 1.00 57.88 ? 300 LEU A CD2 1 ATOM 2370 N N . TRP A 1 301 ? 40.289 -38.509 -5.139 1.00 31.99 ? 301 TRP A N 1 ATOM 2371 C CA . TRP A 1 301 ? 39.408 -39.608 -5.459 1.00 37.37 ? 301 TRP A CA 1 ATOM 2372 C C . TRP A 1 301 ? 39.838 -40.921 -4.837 1.00 41.17 ? 301 TRP A C 1 ATOM 2373 O O . TRP A 1 301 ? 40.940 -41.054 -4.305 1.00 39.93 ? 301 TRP A O 1 ATOM 2374 C CB . TRP A 1 301 ? 39.299 -39.777 -6.980 1.00 37.70 ? 301 TRP A CB 1 ATOM 2375 C CG . TRP A 1 301 ? 40.551 -40.298 -7.651 1.00 38.26 ? 301 TRP A CG 1 ATOM 2376 C CD1 . TRP A 1 301 ? 40.987 -41.595 -7.695 1.00 37.49 ? 301 TRP A CD1 1 ATOM 2377 C CD2 . TRP A 1 301 ? 41.504 -39.533 -8.394 1.00 33.41 ? 301 TRP A CD2 1 ATOM 2378 N NE1 . TRP A 1 301 ? 42.160 -41.679 -8.405 1.00 40.87 ? 301 TRP A NE1 1 ATOM 2379 C CE2 . TRP A 1 301 ? 42.495 -40.427 -8.849 1.00 37.48 ? 301 TRP A CE2 1 ATOM 2380 C CE3 . TRP A 1 301 ? 41.615 -38.181 -8.716 1.00 34.43 ? 301 TRP A CE3 1 ATOM 2381 C CZ2 . TRP A 1 301 ? 43.579 -40.012 -9.608 1.00 35.30 ? 301 TRP A CZ2 1 ATOM 2382 C CZ3 . TRP A 1 301 ? 42.695 -37.771 -9.476 1.00 40.58 ? 301 TRP A CZ3 1 ATOM 2383 C CH2 . TRP A 1 301 ? 43.660 -38.684 -9.915 1.00 37.10 ? 301 TRP A CH2 1 ATOM 2384 N N . ILE A 1 302 ? 38.929 -41.885 -4.920 1.00 44.38 ? 302 ILE A N 1 ATOM 2385 C CA . ILE A 1 302 ? 39.191 -43.267 -4.566 1.00 44.40 ? 302 ILE A CA 1 ATOM 2386 C C . ILE A 1 302 ? 38.712 -44.090 -5.762 1.00 44.40 ? 302 ILE A C 1 ATOM 2387 O O . ILE A 1 302 ? 37.847 -43.644 -6.514 1.00 46.58 ? 302 ILE A O 1 ATOM 2388 C CB . ILE A 1 302 ? 38.467 -43.676 -3.241 1.00 50.09 ? 302 ILE A CB 1 ATOM 2389 C CG1 . ILE A 1 302 ? 39.260 -44.742 -2.497 1.00 53.55 ? 302 ILE A CG1 1 ATOM 2390 C CG2 . ILE A 1 302 ? 37.032 -44.120 -3.484 1.00 47.32 ? 302 ILE A CG2 1 ATOM 2391 C CD1 . ILE A 1 302 ? 40.608 -44.259 -2.083 1.00 66.02 ? 302 ILE A CD1 1 ATOM 2392 N N . GLY A 1 303 ? 39.282 -45.270 -5.956 1.00 52.82 ? 303 GLY A N 1 ATOM 2393 C CA . GLY A 1 303 ? 38.968 -46.070 -7.123 1.00 51.94 ? 303 GLY A CA 1 ATOM 2394 C C . GLY A 1 303 ? 39.928 -45.786 -8.263 1.00 55.16 ? 303 GLY A C 1 ATOM 2395 O O . GLY A 1 303 ? 40.978 -45.188 -8.057 1.00 59.23 ? 303 GLY A O 1 ATOM 2396 N N . GLU A 1 304 ? 39.567 -46.204 -9.471 1.00 58.18 ? 304 GLU A N 1 ATOM 2397 C CA . GLU A 1 304 ? 40.434 -46.015 -10.630 1.00 59.06 ? 304 GLU A CA 1 ATOM 2398 C C . GLU A 1 304 ? 39.918 -44.902 -11.537 1.00 53.14 ? 304 GLU A C 1 ATOM 2399 O O . GLU A 1 304 ? 38.971 -45.094 -12.293 1.00 54.26 ? 304 GLU A O 1 ATOM 2400 C CB . GLU A 1 304 ? 40.575 -47.326 -11.406 1.00 61.29 ? 304 GLU A CB 1 ATOM 2401 C CG . GLU A 1 304 ? 41.174 -48.447 -10.559 1.00 73.08 ? 304 GLU A CG 1 ATOM 2402 C CD . GLU A 1 304 ? 42.553 -48.860 -11.041 1.00 95.20 ? 304 GLU A CD 1 ATOM 2403 O OE1 . GLU A 1 304 ? 42.769 -48.883 -12.278 1.00 97.25 ? 304 GLU A OE1 1 ATOM 2404 O OE2 . GLU A 1 304 ? 43.426 -49.127 -10.181 1.00 95.27 ? 304 GLU A OE2 1 ATOM 2405 N N . CYS A 1 305 ? 40.551 -43.737 -11.456 1.00 47.92 ? 305 CYS A N 1 ATOM 2406 C CA . CYS A 1 305 ? 40.059 -42.532 -12.126 1.00 48.73 ? 305 CYS A CA 1 ATOM 2407 C C . CYS A 1 305 ? 40.973 -42.083 -13.257 1.00 42.10 ? 305 CYS A C 1 ATOM 2408 O O . CYS A 1 305 ? 42.122 -42.510 -13.337 1.00 47.47 ? 305 CYS A O 1 ATOM 2409 C CB . CYS A 1 305 ? 39.893 -41.387 -11.109 1.00 49.34 ? 305 CYS A CB 1 ATOM 2410 S SG . CYS A 1 305 ? 38.445 -41.568 -10.033 1.00 57.16 ? 305 CYS A SG 1 ATOM 2411 N N . PRO A 1 306 ? 40.452 -41.240 -14.161 1.00 45.26 ? 306 PRO A N 1 ATOM 2412 C CA . PRO A 1 306 ? 41.304 -40.603 -15.176 1.00 40.86 ? 306 PRO A CA 1 ATOM 2413 C C . PRO A 1 306 ? 42.231 -39.541 -14.576 1.00 39.51 ? 306 PRO A C 1 ATOM 2414 O O . PRO A 1 306 ? 41.957 -39.002 -13.501 1.00 41.42 ? 306 PRO A O 1 ATOM 2415 C CB . PRO A 1 306 ? 40.298 -39.958 -16.137 1.00 41.85 ? 306 PRO A CB 1 ATOM 2416 C CG . PRO A 1 306 ? 38.998 -40.648 -15.872 1.00 44.33 ? 306 PRO A CG 1 ATOM 2417 C CD . PRO A 1 306 ? 39.018 -41.016 -14.420 1.00 41.60 ? 306 PRO A CD 1 ATOM 2418 N N . LYS A 1 307 ? 43.321 -39.250 -15.274 1.00 37.89 ? 307 LYS A N 1 ATOM 2419 C CA . LYS A 1 307 ? 44.286 -38.256 -14.828 1.00 37.66 ? 307 LYS A CA 1 ATOM 2420 C C . LYS A 1 307 ? 43.650 -36.877 -14.712 1.00 36.48 ? 307 LYS A C 1 ATOM 2421 O O . LYS A 1 307 ? 42.925 -36.441 -15.609 1.00 40.30 ? 307 LYS A O 1 ATOM 2422 C CB . LYS A 1 307 ? 45.480 -38.225 -15.789 1.00 39.61 ? 307 LYS A CB 1 ATOM 2423 C CG . LYS A 1 307 ? 46.395 -37.022 -15.655 1.00 39.36 ? 307 LYS A CG 1 ATOM 2424 C CD . LYS A 1 307 ? 47.615 -37.185 -16.561 1.00 40.18 ? 307 LYS A CD 1 ATOM 2425 C CE . LYS A 1 307 ? 48.608 -38.127 -15.910 1.00 45.08 ? 307 LYS A CE 1 ATOM 2426 N NZ . LYS A 1 307 ? 49.272 -39.002 -16.890 1.00 46.89 ? 307 LYS A NZ 1 ATOM 2427 N N . TYR A 1 308 ? 43.919 -36.201 -13.600 1.00 32.92 ? 308 TYR A N 1 ATOM 2428 C CA . TYR A 1 308 ? 43.355 -34.878 -13.352 1.00 37.36 ? 308 TYR A CA 1 ATOM 2429 C C . TYR A 1 308 ? 44.179 -33.780 -14.012 1.00 34.83 ? 308 TYR A C 1 ATOM 2430 O O . TYR A 1 308 ? 45.410 -33.792 -13.996 1.00 34.77 ? 308 TYR A O 1 ATOM 2431 C CB . TYR A 1 308 ? 43.233 -34.598 -11.845 1.00 34.18 ? 308 TYR A CB 1 ATOM 2432 C CG . TYR A 1 308 ? 42.666 -33.228 -11.552 1.00 35.38 ? 308 TYR A CG 1 ATOM 2433 C CD1 . TYR A 1 308 ? 41.368 -32.899 -11.927 1.00 34.45 ? 308 TYR A CD1 1 ATOM 2434 C CD2 . TYR A 1 308 ? 43.421 -32.265 -10.903 1.00 38.09 ? 308 TYR A CD2 1 ATOM 2435 C CE1 . TYR A 1 308 ? 40.848 -31.648 -11.673 1.00 34.25 ? 308 TYR A CE1 1 ATOM 2436 C CE2 . TYR A 1 308 ? 42.906 -31.010 -10.640 1.00 37.04 ? 308 TYR A CE2 1 ATOM 2437 C CZ . TYR A 1 308 ? 41.621 -30.708 -11.025 1.00 36.92 ? 308 TYR A CZ 1 ATOM 2438 O OH . TYR A 1 308 ? 41.107 -29.458 -10.760 1.00 42.07 ? 308 TYR A OH 1 ATOM 2439 N N . VAL A 1 309 ? 43.479 -32.796 -14.546 1.00 35.22 ? 309 VAL A N 1 ATOM 2440 C CA . VAL A 1 309 ? 44.092 -31.828 -15.436 1.00 35.91 ? 309 VAL A CA 1 ATOM 2441 C C . VAL A 1 309 ? 43.219 -30.576 -15.415 1.00 36.39 ? 309 VAL A C 1 ATOM 2442 O O . VAL A 1 309 ? 42.015 -30.675 -15.191 1.00 40.04 ? 309 VAL A O 1 ATOM 2443 C CB . VAL A 1 309 ? 44.249 -32.473 -16.843 1.00 35.63 ? 309 VAL A CB 1 ATOM 2444 C CG1 . VAL A 1 309 ? 43.535 -31.703 -17.906 1.00 34.01 ? 309 VAL A CG1 1 ATOM 2445 C CG2 . VAL A 1 309 ? 45.726 -32.724 -17.170 1.00 29.13 ? 309 VAL A CG2 1 ATOM 2446 N N . LYS A 1 310 ? 43.806 -29.395 -15.578 1.00 38.51 ? 310 LYS A N 1 ATOM 2447 C CA . LYS A 1 310 ? 43.015 -28.160 -15.455 1.00 39.26 ? 310 LYS A CA 1 ATOM 2448 C C . LYS A 1 310 ? 42.301 -27.781 -16.755 1.00 44.07 ? 310 LYS A C 1 ATOM 2449 O O . LYS A 1 310 ? 41.548 -26.809 -16.793 1.00 52.51 ? 310 LYS A O 1 ATOM 2450 C CB . LYS A 1 310 ? 43.888 -26.989 -15.007 1.00 34.36 ? 310 LYS A CB 1 ATOM 2451 C CG . LYS A 1 310 ? 44.821 -27.313 -13.868 1.00 45.95 ? 310 LYS A CG 1 ATOM 2452 C CD . LYS A 1 310 ? 44.661 -26.340 -12.716 1.00 55.46 ? 310 LYS A CD 1 ATOM 2453 C CE . LYS A 1 310 ? 45.377 -25.029 -12.976 1.00 55.25 ? 310 LYS A CE 1 ATOM 2454 N NZ . LYS A 1 310 ? 45.335 -24.195 -11.736 1.00 66.87 ? 310 LYS A NZ 1 ATOM 2455 N N . SER A 1 311 ? 42.527 -28.551 -17.812 1.00 37.67 ? 311 SER A N 1 ATOM 2456 C CA . SER A 1 311 ? 42.021 -28.194 -19.139 1.00 43.03 ? 311 SER A CA 1 ATOM 2457 C C . SER A 1 311 ? 40.503 -28.265 -19.268 1.00 39.02 ? 311 SER A C 1 ATOM 2458 O O . SER A 1 311 ? 39.847 -29.087 -18.636 1.00 46.74 ? 311 SER A O 1 ATOM 2459 C CB . SER A 1 311 ? 42.650 -29.101 -20.199 1.00 40.48 ? 311 SER A CB 1 ATOM 2460 O OG . SER A 1 311 ? 44.021 -29.303 -19.913 1.00 44.87 ? 311 SER A OG 1 ATOM 2461 N N . GLU A 1 312 ? 39.957 -27.401 -20.112 1.00 45.69 ? 312 GLU A N 1 ATOM 2462 C CA . GLU A 1 312 ? 38.546 -27.456 -20.458 1.00 49.10 ? 312 GLU A CA 1 ATOM 2463 C C . GLU A 1 312 ? 38.292 -28.542 -21.502 1.00 46.05 ? 312 GLU A C 1 ATOM 2464 O O . GLU A 1 312 ? 37.266 -29.218 -21.470 1.00 48.09 ? 312 GLU A O 1 ATOM 2465 C CB . GLU A 1 312 ? 38.068 -26.100 -20.977 1.00 51.35 ? 312 GLU A CB 1 ATOM 2466 C CG . GLU A 1 312 ? 38.040 -24.990 -19.932 1.00 58.76 ? 312 GLU A CG 1 ATOM 2467 C CD . GLU A 1 312 ? 37.131 -25.306 -18.747 1.00 74.70 ? 312 GLU A CD 1 ATOM 2468 O OE1 . GLU A 1 312 ? 36.210 -26.144 -18.891 1.00 78.20 ? 312 GLU A OE1 1 ATOM 2469 O OE2 . GLU A 1 312 ? 37.338 -24.711 -17.665 1.00 84.56 ? 312 GLU A OE2 1 ATOM 2470 N N . SER A 1 313 ? 39.245 -28.711 -22.415 1.00 49.68 ? 313 SER A N 1 ATOM 2471 C CA . SER A 1 313 ? 39.108 -29.646 -23.525 1.00 48.80 ? 313 SER A CA 1 ATOM 2472 C C . SER A 1 313 ? 40.450 -30.195 -23.996 1.00 43.10 ? 313 SER A C 1 ATOM 2473 O O . SER A 1 313 ? 41.453 -29.488 -24.018 1.00 47.55 ? 313 SER A O 1 ATOM 2474 C CB . SER A 1 313 ? 38.396 -28.975 -24.700 1.00 47.92 ? 313 SER A CB 1 ATOM 2475 O OG . SER A 1 313 ? 38.134 -29.916 -25.723 1.00 50.79 ? 313 SER A OG 1 ATOM 2476 N N . LEU A 1 314 ? 40.459 -31.467 -24.369 1.00 37.82 ? 314 LEU A N 1 ATOM 2477 C CA . LEU A 1 314 ? 41.637 -32.087 -24.952 1.00 36.48 ? 314 LEU A CA 1 ATOM 2478 C C . LEU A 1 314 ? 41.190 -32.908 -26.164 1.00 37.03 ? 314 LEU A C 1 ATOM 2479 O O . LEU A 1 314 ? 41.197 -34.136 -26.120 1.00 35.29 ? 314 LEU A O 1 ATOM 2480 C CB . LEU A 1 314 ? 42.379 -32.952 -23.918 1.00 34.87 ? 314 LEU A CB 1 ATOM 2481 C CG . LEU A 1 314 ? 43.073 -32.194 -22.769 1.00 38.98 ? 314 LEU A CG 1 ATOM 2482 C CD1 . LEU A 1 314 ? 43.623 -33.117 -21.691 1.00 35.59 ? 314 LEU A CD1 1 ATOM 2483 C CD2 . LEU A 1 314 ? 44.189 -31.302 -23.298 1.00 36.09 ? 314 LEU A CD2 1 ATOM 2484 N N . ARG A 1 315 ? 40.794 -32.210 -27.235 1.00 35.67 ? 315 ARG A N 1 ATOM 2485 C CA . ARG A 1 315 ? 40.291 -32.846 -28.454 1.00 36.39 ? 315 ARG A CA 1 ATOM 2486 C C . ARG A 1 315 ? 41.434 -33.139 -29.436 1.00 37.15 ? 315 ARG A C 1 ATOM 2487 O O . ARG A 1 315 ? 42.163 -32.242 -29.862 1.00 35.35 ? 315 ARG A O 1 ATOM 2488 C CB . ARG A 1 315 ? 39.212 -31.970 -29.123 1.00 40.93 ? 315 ARG A CB 1 ATOM 2489 C CG . ARG A 1 315 ? 38.307 -32.701 -30.137 1.00 36.51 ? 315 ARG A CG 1 ATOM 2490 C CD . ARG A 1 315 ? 36.872 -32.161 -30.130 1.00 40.37 ? 315 ARG A CD 1 ATOM 2491 N NE . ARG A 1 315 ? 35.876 -33.236 -30.261 1.00 45.35 ? 315 ARG A NE 1 ATOM 2492 C CZ . ARG A 1 315 ? 34.836 -33.366 -29.444 1.00 46.55 ? 315 ARG A CZ 1 ATOM 2493 N NH1 . ARG A 1 315 ? 34.678 -32.499 -28.452 1.00 64.38 ? 315 ARG A NH1 1 ATOM 2494 N NH2 . ARG A 1 315 ? 33.959 -34.350 -29.592 1.00 58.87 ? 315 ARG A NH2 1 ATOM 2495 N N . LEU A 1 316 ? 41.578 -34.412 -29.781 1.00 35.19 ? 316 LEU A N 1 ATOM 2496 C CA . LEU A 1 316 ? 42.601 -34.881 -30.711 1.00 34.24 ? 316 LEU A CA 1 ATOM 2497 C C . LEU A 1 316 ? 42.008 -35.116 -32.105 1.00 34.25 ? 316 LEU A C 1 ATOM 2498 O O . LEU A 1 316 ? 41.008 -35.820 -32.256 1.00 38.38 ? 316 LEU A O 1 ATOM 2499 C CB . LEU A 1 316 ? 43.220 -36.173 -30.166 1.00 36.20 ? 316 LEU A CB 1 ATOM 2500 C CG . LEU A 1 316 ? 44.676 -36.591 -30.341 1.00 36.05 ? 316 LEU A CG 1 ATOM 2501 C CD1 . LEU A 1 316 ? 45.641 -35.532 -29.849 1.00 35.31 ? 316 LEU A CD1 1 ATOM 2502 C CD2 . LEU A 1 316 ? 44.882 -37.863 -29.548 1.00 38.28 ? 316 LEU A CD2 1 ATOM 2503 N N . ALA A 1 317 ? 42.615 -34.521 -33.123 1.00 33.00 ? 317 ALA A N 1 ATOM 2504 C CA . ALA A 1 317 ? 42.201 -34.780 -34.498 1.00 31.03 ? 317 ALA A CA 1 ATOM 2505 C C . ALA A 1 317 ? 42.525 -36.211 -34.886 1.00 33.24 ? 317 ALA A C 1 ATOM 2506 O O . ALA A 1 317 ? 43.604 -36.725 -34.582 1.00 27.67 ? 317 ALA A O 1 ATOM 2507 C CB . ALA A 1 317 ? 42.872 -33.811 -35.459 1.00 31.03 ? 317 ALA A CB 1 ATOM 2508 N N . THR A 1 318 ? 41.580 -36.874 -35.535 1.00 35.33 ? 318 THR A N 1 ATOM 2509 C CA . THR A 1 318 ? 41.885 -38.168 -36.115 1.00 38.27 ? 318 THR A CA 1 ATOM 2510 C C . THR A 1 318 ? 41.707 -38.055 -37.612 1.00 36.43 ? 318 THR A C 1 ATOM 2511 O O . THR A 1 318 ? 42.548 -38.522 -38.383 1.00 34.62 ? 318 THR A O 1 ATOM 2512 C CB . THR A 1 318 ? 41.017 -39.300 -35.541 1.00 34.59 ? 318 THR A CB 1 ATOM 2513 O OG1 . THR A 1 318 ? 39.647 -38.890 -35.521 1.00 42.71 ? 318 THR A OG1 1 ATOM 2514 C CG2 . THR A 1 318 ? 41.467 -39.637 -34.122 1.00 33.33 ? 318 THR A CG2 1 ATOM 2515 N N . GLY A 1 319 ? 40.627 -37.396 -38.016 1.00 37.24 ? 319 GLY A N 1 ATOM 2516 C CA . GLY A 1 319 ? 40.362 -37.181 -39.426 1.00 33.74 ? 319 GLY A CA 1 ATOM 2517 C C . GLY A 1 319 ? 41.148 -36.007 -39.970 1.00 32.89 ? 319 GLY A C 1 ATOM 2518 O O . GLY A 1 319 ? 42.100 -35.533 -39.354 1.00 35.23 ? 319 GLY A O 1 ATOM 2519 N N . LEU A 1 320 ? 40.742 -35.524 -41.133 1.00 40.30 ? 320 LEU A N 1 ATOM 2520 C CA . LEU A 1 320 ? 41.491 -34.484 -41.807 1.00 40.83 ? 320 LEU A CA 1 ATOM 2521 C C . LEU A 1 320 ? 40.740 -33.167 -41.765 1.00 40.32 ? 320 LEU A C 1 ATOM 2522 O O . LEU A 1 320 ? 39.631 -33.098 -41.249 1.00 45.68 ? 320 LEU A O 1 ATOM 2523 C CB . LEU A 1 320 ? 41.800 -34.915 -43.244 1.00 44.86 ? 320 LEU A CB 1 ATOM 2524 C CG . LEU A 1 320 ? 40.660 -35.382 -44.150 1.00 42.95 ? 320 LEU A CG 1 ATOM 2525 C CD1 . LEU A 1 320 ? 39.984 -34.208 -44.778 1.00 51.56 ? 320 LEU A CD1 1 ATOM 2526 C CD2 . LEU A 1 320 ? 41.192 -36.271 -45.226 1.00 40.29 ? 320 LEU A CD2 1 ATOM 2527 N N . ARG A 1 321 ? 41.360 -32.116 -42.282 1.00 34.19 ? 321 ARG A N 1 ATOM 2528 C CA . ARG A 1 321 ? 40.722 -30.807 -42.323 1.00 35.20 ? 321 ARG A CA 1 ATOM 2529 C C . ARG A 1 321 ? 39.444 -30.861 -43.167 1.00 41.02 ? 321 ARG A C 1 ATOM 2530 O O . ARG A 1 321 ? 39.477 -31.273 -44.322 1.00 41.71 ? 321 ARG A O 1 ATOM 2531 C CB . ARG A 1 321 ? 41.695 -29.772 -42.876 1.00 31.56 ? 321 ARG A CB 1 ATOM 2532 C CG . ARG A 1 321 ? 41.168 -28.364 -42.876 1.00 40.05 ? 321 ARG A CG 1 ATOM 2533 C CD . ARG A 1 321 ? 42.142 -27.455 -43.598 1.00 37.47 ? 321 ARG A CD 1 ATOM 2534 N NE . ARG A 1 321 ? 43.432 -27.421 -42.920 1.00 40.22 ? 321 ARG A NE 1 ATOM 2535 C CZ . ARG A 1 321 ? 43.810 -26.451 -42.093 1.00 44.23 ? 321 ARG A CZ 1 ATOM 2536 N NH1 . ARG A 1 321 ? 42.990 -25.432 -41.846 1.00 39.49 ? 321 ARG A NH1 1 ATOM 2537 N NH2 . ARG A 1 321 ? 45.005 -26.502 -41.514 1.00 40.81 ? 321 ARG A NH2 1 ATOM 2538 N N . ASN A 1 322 ? 38.318 -30.468 -42.579 1.00 42.42 ? 322 ASN A N 1 ATOM 2539 C CA . ASN A 1 322 ? 37.029 -30.551 -43.253 1.00 41.49 ? 322 ASN A CA 1 ATOM 2540 C C . ASN A 1 322 ? 36.806 -29.368 -44.172 1.00 47.86 ? 322 ASN A C 1 ATOM 2541 O O . ASN A 1 322 ? 36.602 -28.250 -43.703 1.00 51.12 ? 322 ASN A O 1 ATOM 2542 C CB . ASN A 1 322 ? 35.889 -30.629 -42.239 1.00 42.47 ? 322 ASN A CB 1 ATOM 2543 C CG . ASN A 1 322 ? 34.592 -31.120 -42.861 1.00 47.23 ? 322 ASN A CG 1 ATOM 2544 O OD1 . ASN A 1 322 ? 34.600 -32.027 -43.694 1.00 45.90 ? 322 ASN A OD1 1 ATOM 2545 N ND2 . ASN A 1 322 ? 33.468 -30.522 -42.458 1.00 49.70 ? 322 ASN A ND2 1 ATOM 2546 N N . VAL A 1 323 ? 36.846 -29.620 -45.480 1.00 43.52 ? 323 VAL A N 1 ATOM 2547 C CA . VAL A 1 323 ? 36.708 -28.562 -46.482 1.00 44.57 ? 323 VAL A CA 1 ATOM 2548 C C . VAL A 1 323 ? 35.586 -28.912 -47.461 1.00 46.86 ? 323 VAL A C 1 ATOM 2549 O O . VAL A 1 323 ? 35.861 -29.290 -48.601 1.00 47.90 ? 323 VAL A O 1 ATOM 2550 C CB . VAL A 1 323 ? 38.032 -28.355 -47.267 1.00 45.01 ? 323 VAL A CB 1 ATOM 2551 C CG1 . VAL A 1 323 ? 38.033 -27.025 -48.007 1.00 41.79 ? 323 VAL A CG1 1 ATOM 2552 C CG2 . VAL A 1 323 ? 39.237 -28.452 -46.337 1.00 38.76 ? 323 VAL A CG2 1 ATOM 2553 N N . PRO A 1 324 ? 34.317 -28.810 -47.020 1.00 57.73 ? 324 PRO A N 1 ATOM 2554 C CA . PRO A 1 324 ? 33.211 -29.228 -47.889 1.00 64.41 ? 324 PRO A CA 1 ATOM 2555 C C . PRO A 1 324 ? 32.932 -28.191 -48.968 1.00 63.51 ? 324 PRO A C 1 ATOM 2556 O O . PRO A 1 324 ? 33.290 -27.024 -48.792 1.00 64.34 ? 324 PRO A O 1 ATOM 2557 C CB . PRO A 1 324 ? 32.015 -29.352 -46.925 1.00 62.46 ? 324 PRO A CB 1 ATOM 2558 C CG . PRO A 1 324 ? 32.519 -28.937 -45.561 1.00 53.17 ? 324 PRO A CG 1 ATOM 2559 C CD . PRO A 1 324 ? 33.816 -28.215 -45.770 1.00 59.24 ? 324 PRO A CD 1 ATOM 2560 N N . GLN A 1 325 ? 32.319 -28.608 -50.072 1.00 65.34 ? 325 GLN A N 1 ATOM 2561 C CA . GLN A 1 325 ? 31.960 -27.658 -51.124 1.00 76.83 ? 325 GLN A CA 1 ATOM 2562 C C . GLN A 1 325 ? 30.646 -28.025 -51.795 1.00 73.22 ? 325 GLN A C 1 ATOM 2563 O O . GLN A 1 325 ? 29.789 -27.163 -51.990 1.00 83.42 ? 325 GLN A O 1 ATOM 2564 C CB . GLN A 1 325 ? 33.078 -27.562 -52.163 1.00 71.26 ? 325 GLN A CB 1 ATOM 2565 C CG . GLN A 1 325 ? 33.746 -28.891 -52.454 1.00 71.90 ? 325 GLN A CG 1 ATOM 2566 C CD . GLN A 1 325 ? 34.929 -28.757 -53.392 1.00 69.11 ? 325 GLN A CD 1 ATOM 2567 O OE1 . GLN A 1 325 ? 35.272 -27.648 -53.822 1.00 68.84 ? 325 GLN A OE1 1 ATOM 2568 N NE2 . GLN A 1 325 ? 35.571 -29.888 -53.708 1.00 56.80 ? 325 GLN A NE2 1 ATOM 2569 N N . GLY B 2 1 ? 48.409 -26.634 -44.888 1.00 70.55 ? 330 GLY B N 1 ATOM 2570 C CA . GLY B 2 1 ? 49.214 -27.841 -44.797 1.00 57.20 ? 330 GLY B CA 1 ATOM 2571 C C . GLY B 2 1 ? 50.521 -27.677 -45.548 1.00 57.19 ? 330 GLY B C 1 ATOM 2572 O O . GLY B 2 1 ? 50.573 -27.016 -46.589 1.00 59.13 ? 330 GLY B O 1 ATOM 2573 N N . ILE B 2 2 ? 51.580 -28.289 -45.031 1.00 48.53 ? 331 ILE B N 1 ATOM 2574 C CA . ILE B 2 2 ? 52.901 -28.111 -45.615 1.00 45.11 ? 331 ILE B CA 1 ATOM 2575 C C . ILE B 2 2 ? 53.126 -28.899 -46.910 1.00 40.67 ? 331 ILE B C 1 ATOM 2576 O O . ILE B 2 2 ? 54.102 -28.652 -47.614 1.00 42.81 ? 331 ILE B O 1 ATOM 2577 C CB . ILE B 2 2 ? 54.013 -28.492 -44.611 1.00 40.70 ? 331 ILE B CB 1 ATOM 2578 C CG1 . ILE B 2 2 ? 53.858 -29.932 -44.142 1.00 41.89 ? 331 ILE B CG1 1 ATOM 2579 C CG2 . ILE B 2 2 ? 54.017 -27.549 -43.422 1.00 41.98 ? 331 ILE B CG2 1 ATOM 2580 C CD1 . ILE B 2 2 ? 54.859 -30.315 -43.065 1.00 46.55 ? 331 ILE B CD1 1 ATOM 2581 N N . PHE B 2 3 ? 52.251 -29.842 -47.244 1.00 36.40 ? 332 PHE B N 1 ATOM 2582 C CA . PHE B 2 3 ? 52.489 -30.613 -48.468 1.00 38.60 ? 332 PHE B CA 1 ATOM 2583 C C . PHE B 2 3 ? 51.707 -30.048 -49.646 1.00 37.28 ? 332 PHE B C 1 ATOM 2584 O O . PHE B 2 3 ? 51.966 -30.403 -50.784 1.00 46.54 ? 332 PHE B O 1 ATOM 2585 C CB . PHE B 2 3 ? 52.169 -32.093 -48.260 1.00 36.80 ? 332 PHE B CB 1 ATOM 2586 C CG . PHE B 2 3 ? 53.160 -32.793 -47.379 1.00 37.99 ? 332 PHE B CG 1 ATOM 2587 C CD1 . PHE B 2 3 ? 52.957 -32.867 -46.004 1.00 35.10 ? 332 PHE B CD1 1 ATOM 2588 C CD2 . PHE B 2 3 ? 54.315 -33.337 -47.913 1.00 34.12 ? 332 PHE B CD2 1 ATOM 2589 C CE1 . PHE B 2 3 ? 53.877 -33.489 -45.189 1.00 34.04 ? 332 PHE B CE1 1 ATOM 2590 C CE2 . PHE B 2 3 ? 55.239 -33.961 -47.106 1.00 35.17 ? 332 PHE B CE2 1 ATOM 2591 C CZ . PHE B 2 3 ? 55.021 -34.043 -45.742 1.00 35.49 ? 332 PHE B CZ 1 ATOM 2592 N N . GLY B 2 4 ? 50.766 -29.154 -49.370 1.00 36.82 ? 333 GLY B N 1 ATOM 2593 C CA . GLY B 2 4 ? 50.197 -28.326 -50.410 1.00 33.21 ? 333 GLY B CA 1 ATOM 2594 C C . GLY B 2 4 ? 48.967 -28.869 -51.109 1.00 37.28 ? 333 GLY B C 1 ATOM 2595 O O . GLY B 2 4 ? 48.432 -28.211 -52.003 1.00 41.15 ? 333 GLY B O 1 ATOM 2596 N N . ALA B 2 5 ? 48.514 -30.052 -50.699 1.00 36.63 ? 334 ALA B N 1 ATOM 2597 C CA . ALA B 2 5 ? 47.373 -30.714 -51.326 1.00 32.58 ? 334 ALA B CA 1 ATOM 2598 C C . ALA B 2 5 ? 46.032 -30.313 -50.710 1.00 33.46 ? 334 ALA B C 1 ATOM 2599 O O . ALA B 2 5 ? 45.215 -29.665 -51.364 1.00 35.06 ? 334 ALA B O 1 ATOM 2600 C CB . ALA B 2 5 ? 47.545 -32.212 -51.259 1.00 34.74 ? 334 ALA B CB 1 ATOM 2601 N N . ILE B 2 6 ? 45.793 -30.707 -49.464 1.00 31.81 ? 335 ILE B N 1 ATOM 2602 C CA . ILE B 2 6 ? 44.520 -30.400 -48.817 1.00 30.78 ? 335 ILE B CA 1 ATOM 2603 C C . ILE B 2 6 ? 44.331 -28.891 -48.665 1.00 35.08 ? 335 ILE B C 1 ATOM 2604 O O . ILE B 2 6 ? 45.242 -28.181 -48.241 1.00 34.22 ? 335 ILE B O 1 ATOM 2605 C CB . ILE B 2 6 ? 44.411 -31.093 -47.456 1.00 33.67 ? 335 ILE B CB 1 ATOM 2606 C CG1 . ILE B 2 6 ? 44.301 -32.611 -47.675 1.00 30.92 ? 335 ILE B CG1 1 ATOM 2607 C CG2 . ILE B 2 6 ? 43.220 -30.538 -46.647 1.00 28.07 ? 335 ILE B CG2 1 ATOM 2608 C CD1 . ILE B 2 6 ? 44.375 -33.420 -46.409 1.00 30.84 ? 335 ILE B CD1 1 ATOM 2609 N N . ALA B 2 7 ? 43.140 -28.418 -49.029 1.00 39.14 ? 336 ALA B N 1 ATOM 2610 C CA . ALA B 2 7 ? 42.847 -26.988 -49.153 1.00 41.73 ? 336 ALA B CA 1 ATOM 2611 C C . ALA B 2 7 ? 43.989 -26.237 -49.840 1.00 40.80 ? 336 ALA B C 1 ATOM 2612 O O . ALA B 2 7 ? 44.372 -25.151 -49.414 1.00 42.06 ? 336 ALA B O 1 ATOM 2613 C CB . ALA B 2 7 ? 42.560 -26.389 -47.801 1.00 35.23 ? 336 ALA B CB 1 ATOM 2614 N N . GLY B 2 8 ? 44.532 -26.845 -50.890 1.00 33.80 ? 337 GLY B N 1 ATOM 2615 C CA . GLY B 2 8 ? 45.651 -26.300 -51.635 1.00 26.94 ? 337 GLY B CA 1 ATOM 2616 C C . GLY B 2 8 ? 45.346 -26.472 -53.110 1.00 37.38 ? 337 GLY B C 1 ATOM 2617 O O . GLY B 2 8 ? 44.358 -25.933 -53.605 1.00 40.38 ? 337 GLY B O 1 ATOM 2618 N N . PHE B 2 9 ? 46.159 -27.243 -53.821 1.00 37.23 ? 338 PHE B N 1 ATOM 2619 C CA . PHE B 2 9 ? 45.931 -27.355 -55.246 1.00 40.77 ? 338 PHE B CA 1 ATOM 2620 C C . PHE B 2 9 ? 44.706 -28.248 -55.504 1.00 41.27 ? 338 PHE B C 1 ATOM 2621 O O . PHE B 2 9 ? 44.116 -28.216 -56.580 1.00 41.09 ? 338 PHE B O 1 ATOM 2622 C CB . PHE B 2 9 ? 47.197 -27.841 -55.981 1.00 33.88 ? 338 PHE B CB 1 ATOM 2623 C CG . PHE B 2 9 ? 47.577 -29.271 -55.719 1.00 42.20 ? 338 PHE B CG 1 ATOM 2624 C CD1 . PHE B 2 9 ? 46.978 -30.309 -56.423 1.00 41.21 ? 338 PHE B CD1 1 ATOM 2625 C CD2 . PHE B 2 9 ? 48.588 -29.579 -54.829 1.00 39.03 ? 338 PHE B CD2 1 ATOM 2626 C CE1 . PHE B 2 9 ? 47.351 -31.630 -56.198 1.00 37.16 ? 338 PHE B CE1 1 ATOM 2627 C CE2 . PHE B 2 9 ? 48.962 -30.897 -54.610 1.00 36.88 ? 338 PHE B CE2 1 ATOM 2628 C CZ . PHE B 2 9 ? 48.344 -31.917 -55.292 1.00 31.90 ? 338 PHE B CZ 1 ATOM 2629 N N . ILE B 2 10 ? 44.314 -29.020 -54.499 1.00 39.17 ? 339 ILE B N 1 ATOM 2630 C CA . ILE B 2 10 ? 43.008 -29.671 -54.495 1.00 37.38 ? 339 ILE B CA 1 ATOM 2631 C C . ILE B 2 10 ? 42.142 -28.873 -53.533 1.00 37.07 ? 339 ILE B C 1 ATOM 2632 O O . ILE B 2 10 ? 42.169 -29.102 -52.326 1.00 43.45 ? 339 ILE B O 1 ATOM 2633 C CB . ILE B 2 10 ? 43.089 -31.154 -54.078 1.00 35.02 ? 339 ILE B CB 1 ATOM 2634 C CG1 . ILE B 2 10 ? 44.118 -31.881 -54.938 1.00 34.10 ? 339 ILE B CG1 1 ATOM 2635 C CG2 . ILE B 2 10 ? 41.749 -31.828 -54.237 1.00 34.33 ? 339 ILE B CG2 1 ATOM 2636 C CD1 . ILE B 2 10 ? 44.324 -33.321 -54.581 1.00 29.16 ? 339 ILE B CD1 1 ATOM 2637 N N . GLU B 2 11 ? 41.395 -27.919 -54.081 1.00 47.50 ? 340 GLU B N 1 ATOM 2638 C CA . GLU B 2 11 ? 40.786 -26.833 -53.312 1.00 47.63 ? 340 GLU B CA 1 ATOM 2639 C C . GLU B 2 11 ? 39.835 -27.252 -52.198 1.00 48.08 ? 340 GLU B C 1 ATOM 2640 O O . GLU B 2 11 ? 39.762 -26.578 -51.165 1.00 53.49 ? 340 GLU B O 1 ATOM 2641 C CB . GLU B 2 11 ? 40.050 -25.888 -54.256 1.00 55.16 ? 340 GLU B CB 1 ATOM 2642 C CG . GLU B 2 11 ? 40.978 -24.984 -55.053 1.00 70.73 ? 340 GLU B CG 1 ATOM 2643 C CD . GLU B 2 11 ? 40.266 -24.264 -56.184 1.00 87.02 ? 340 GLU B CD 1 ATOM 2644 O OE1 . GLU B 2 11 ? 40.782 -24.291 -57.327 1.00 89.10 ? 340 GLU B OE1 1 ATOM 2645 O OE2 . GLU B 2 11 ? 39.194 -23.671 -55.926 1.00 86.94 ? 340 GLU B OE2 1 ATOM 2646 N N . GLY B 2 12 ? 39.105 -28.344 -52.396 1.00 41.10 ? 341 GLY B N 1 ATOM 2647 C CA . GLY B 2 12 ? 38.133 -28.770 -51.409 1.00 35.25 ? 341 GLY B CA 1 ATOM 2648 C C . GLY B 2 12 ? 37.978 -30.269 -51.335 1.00 38.38 ? 341 GLY B C 1 ATOM 2649 O O . GLY B 2 12 ? 38.558 -31.010 -52.136 1.00 36.43 ? 341 GLY B O 1 ATOM 2650 N N . GLY B 2 13 ? 37.188 -30.717 -50.363 1.00 39.21 ? 342 GLY B N 1 ATOM 2651 C CA . GLY B 2 13 ? 36.920 -32.131 -50.202 1.00 37.66 ? 342 GLY B CA 1 ATOM 2652 C C . GLY B 2 13 ? 35.652 -32.576 -50.910 1.00 42.94 ? 342 GLY B C 1 ATOM 2653 O O . GLY B 2 13 ? 34.934 -31.765 -51.504 1.00 41.02 ? 342 GLY B O 1 ATOM 2654 N N . TRP B 2 14 ? 35.391 -33.879 -50.833 1.00 37.65 ? 343 TRP B N 1 ATOM 2655 C CA . TRP B 2 14 ? 34.232 -34.507 -51.448 1.00 38.45 ? 343 TRP B CA 1 ATOM 2656 C C . TRP B 2 14 ? 33.245 -35.069 -50.418 1.00 43.44 ? 343 TRP B C 1 ATOM 2657 O O . TRP B 2 14 ? 33.495 -36.130 -49.835 1.00 40.56 ? 343 TRP B O 1 ATOM 2658 C CB . TRP B 2 14 ? 34.674 -35.651 -52.354 1.00 33.17 ? 343 TRP B CB 1 ATOM 2659 C CG . TRP B 2 14 ? 35.468 -35.254 -53.531 1.00 36.83 ? 343 TRP B CG 1 ATOM 2660 C CD1 . TRP B 2 14 ? 35.451 -34.051 -54.167 1.00 36.90 ? 343 TRP B CD1 1 ATOM 2661 C CD2 . TRP B 2 14 ? 36.404 -36.076 -54.240 1.00 33.78 ? 343 TRP B CD2 1 ATOM 2662 N NE1 . TRP B 2 14 ? 36.321 -34.074 -55.231 1.00 40.17 ? 343 TRP B NE1 1 ATOM 2663 C CE2 . TRP B 2 14 ? 36.919 -35.305 -55.294 1.00 32.10 ? 343 TRP B CE2 1 ATOM 2664 C CE3 . TRP B 2 14 ? 36.860 -37.389 -54.079 1.00 34.36 ? 343 TRP B CE3 1 ATOM 2665 C CZ2 . TRP B 2 14 ? 37.864 -35.799 -56.185 1.00 33.75 ? 343 TRP B CZ2 1 ATOM 2666 C CZ3 . TRP B 2 14 ? 37.800 -37.879 -54.978 1.00 33.94 ? 343 TRP B CZ3 1 ATOM 2667 C CH2 . TRP B 2 14 ? 38.288 -37.084 -56.011 1.00 31.85 ? 343 TRP B CH2 1 ATOM 2668 N N . THR B 2 15 ? 32.117 -34.396 -50.214 1.00 40.85 ? 344 THR B N 1 ATOM 2669 C CA . THR B 2 15 ? 31.060 -34.963 -49.377 1.00 46.89 ? 344 THR B CA 1 ATOM 2670 C C . THR B 2 15 ? 30.486 -36.239 -50.001 1.00 50.34 ? 344 THR B C 1 ATOM 2671 O O . THR B 2 15 ? 29.938 -37.092 -49.296 1.00 48.53 ? 344 THR B O 1 ATOM 2672 C CB . THR B 2 15 ? 29.928 -33.961 -49.140 1.00 49.03 ? 344 THR B CB 1 ATOM 2673 O OG1 . THR B 2 15 ? 29.477 -33.442 -50.399 1.00 50.86 ? 344 THR B OG1 1 ATOM 2674 C CG2 . THR B 2 15 ? 30.423 -32.813 -48.266 1.00 41.78 ? 344 THR B CG2 1 ATOM 2675 N N . GLY B 2 16 ? 30.647 -36.373 -51.317 1.00 45.34 ? 345 GLY B N 1 ATOM 2676 C CA . GLY B 2 16 ? 30.153 -37.527 -52.056 1.00 42.74 ? 345 GLY B CA 1 ATOM 2677 C C . GLY B 2 16 ? 30.955 -38.805 -51.882 1.00 48.04 ? 345 GLY B C 1 ATOM 2678 O O . GLY B 2 16 ? 30.496 -39.896 -52.239 1.00 50.88 ? 345 GLY B O 1 ATOM 2679 N N . MET B 2 17 ? 32.163 -38.684 -51.344 1.00 44.98 ? 346 MET B N 1 ATOM 2680 C CA . MET B 2 17 ? 32.968 -39.868 -51.074 1.00 44.07 ? 346 MET B CA 1 ATOM 2681 C C . MET B 2 17 ? 32.853 -40.205 -49.601 1.00 44.97 ? 346 MET B C 1 ATOM 2682 O O . MET B 2 17 ? 33.437 -39.531 -48.755 1.00 45.31 ? 346 MET B O 1 ATOM 2683 C CB . MET B 2 17 ? 34.426 -39.659 -51.469 1.00 34.58 ? 346 MET B CB 1 ATOM 2684 C CG . MET B 2 17 ? 35.259 -40.902 -51.326 1.00 38.20 ? 346 MET B CG 1 ATOM 2685 S SD . MET B 2 17 ? 36.972 -40.648 -51.828 1.00 51.07 ? 346 MET B SD 1 ATOM 2686 C CE . MET B 2 17 ? 37.535 -39.568 -50.516 1.00 34.70 ? 346 MET B CE 1 ATOM 2687 N N . ILE B 2 18 ? 32.092 -41.254 -49.305 1.00 53.04 ? 347 ILE B N 1 ATOM 2688 C CA . ILE B 2 18 ? 31.664 -41.538 -47.941 1.00 51.57 ? 347 ILE B CA 1 ATOM 2689 C C . ILE B 2 18 ? 32.393 -42.724 -47.317 1.00 50.28 ? 347 ILE B C 1 ATOM 2690 O O . ILE B 2 18 ? 32.357 -42.895 -46.101 1.00 55.30 ? 347 ILE B O 1 ATOM 2691 C CB . ILE B 2 18 ? 30.141 -41.816 -47.885 1.00 58.00 ? 347 ILE B CB 1 ATOM 2692 C CG1 . ILE B 2 18 ? 29.795 -43.092 -48.658 1.00 64.03 ? 347 ILE B CG1 1 ATOM 2693 C CG2 . ILE B 2 18 ? 29.353 -40.635 -48.440 1.00 63.64 ? 347 ILE B CG2 1 ATOM 2694 C CD1 . ILE B 2 18 ? 28.345 -43.511 -48.531 1.00 67.46 ? 347 ILE B CD1 1 ATOM 2695 N N . ASP B 2 19 ? 33.062 -43.528 -48.140 1.00 55.74 ? 348 ASP B N 1 ATOM 2696 C CA . ASP B 2 19 ? 33.627 -44.798 -47.682 1.00 62.37 ? 348 ASP B CA 1 ATOM 2697 C C . ASP B 2 19 ? 35.126 -44.758 -47.346 1.00 61.27 ? 348 ASP B C 1 ATOM 2698 O O . ASP B 2 19 ? 35.763 -45.805 -47.200 1.00 57.57 ? 348 ASP B O 1 ATOM 2699 C CB . ASP B 2 19 ? 33.363 -45.901 -48.728 1.00 63.62 ? 348 ASP B CB 1 ATOM 2700 C CG . ASP B 2 19 ? 33.713 -45.478 -50.166 1.00 75.07 ? 348 ASP B CG 1 ATOM 2701 O OD1 . ASP B 2 19 ? 33.514 -44.290 -50.530 1.00 71.40 ? 348 ASP B OD1 1 ATOM 2702 O OD2 . ASP B 2 19 ? 34.162 -46.355 -50.950 1.00 76.29 ? 348 ASP B OD2 1 ATOM 2703 N N . GLY B 2 20 ? 35.688 -43.562 -47.202 1.00 47.05 ? 349 GLY B N 1 ATOM 2704 C CA . GLY B 2 20 ? 37.096 -43.445 -46.868 1.00 41.29 ? 349 GLY B CA 1 ATOM 2705 C C . GLY B 2 20 ? 37.629 -42.028 -46.840 1.00 41.37 ? 349 GLY B C 1 ATOM 2706 O O . GLY B 2 20 ? 36.907 -41.076 -47.113 1.00 43.86 ? 349 GLY B O 1 ATOM 2707 N N . TRP B 2 21 ? 38.910 -41.892 -46.516 1.00 40.15 ? 350 TRP B N 1 ATOM 2708 C CA . TRP B 2 21 ? 39.520 -40.580 -46.321 1.00 38.61 ? 350 TRP B CA 1 ATOM 2709 C C . TRP B 2 21 ? 40.099 -40.018 -47.617 1.00 38.61 ? 350 TRP B C 1 ATOM 2710 O O . TRP B 2 21 ? 39.995 -38.818 -47.881 1.00 36.86 ? 350 TRP B O 1 ATOM 2711 C CB . TRP B 2 21 ? 40.623 -40.657 -45.264 1.00 34.98 ? 350 TRP B CB 1 ATOM 2712 C CG . TRP B 2 21 ? 40.159 -40.524 -43.856 1.00 33.34 ? 350 TRP B CG 1 ATOM 2713 C CD1 . TRP B 2 21 ? 39.015 -39.923 -43.417 1.00 39.70 ? 350 TRP B CD1 1 ATOM 2714 C CD2 . TRP B 2 21 ? 40.842 -40.987 -42.690 1.00 31.92 ? 350 TRP B CD2 1 ATOM 2715 N NE1 . TRP B 2 21 ? 38.945 -39.984 -42.042 1.00 35.54 ? 350 TRP B NE1 1 ATOM 2716 C CE2 . TRP B 2 21 ? 40.056 -40.636 -41.575 1.00 31.93 ? 350 TRP B CE2 1 ATOM 2717 C CE3 . TRP B 2 21 ? 42.047 -41.661 -42.480 1.00 33.57 ? 350 TRP B CE3 1 ATOM 2718 C CZ2 . TRP B 2 21 ? 40.433 -40.940 -40.276 1.00 29.61 ? 350 TRP B CZ2 1 ATOM 2719 C CZ3 . TRP B 2 21 ? 42.414 -41.966 -41.187 1.00 32.76 ? 350 TRP B CZ3 1 ATOM 2720 C CH2 . TRP B 2 21 ? 41.608 -41.606 -40.103 1.00 32.67 ? 350 TRP B CH2 1 ATOM 2721 N N . TYR B 2 22 ? 40.726 -40.887 -48.407 1.00 36.64 ? 351 TYR B N 1 ATOM 2722 C CA . TYR B 2 22 ? 41.314 -40.491 -49.684 1.00 37.19 ? 351 TYR B CA 1 ATOM 2723 C C . TYR B 2 22 ? 40.788 -41.385 -50.797 1.00 40.22 ? 351 TYR B C 1 ATOM 2724 O O . TYR B 2 22 ? 40.549 -42.576 -50.583 1.00 39.79 ? 351 TYR B O 1 ATOM 2725 C CB . TYR B 2 22 ? 42.846 -40.571 -49.650 1.00 34.45 ? 351 TYR B CB 1 ATOM 2726 C CG . TYR B 2 22 ? 43.468 -40.385 -48.286 1.00 34.80 ? 351 TYR B CG 1 ATOM 2727 C CD1 . TYR B 2 22 ? 43.383 -39.173 -47.617 1.00 34.05 ? 351 TYR B CD1 1 ATOM 2728 C CD2 . TYR B 2 22 ? 44.152 -41.421 -47.675 1.00 34.41 ? 351 TYR B CD2 1 ATOM 2729 C CE1 . TYR B 2 22 ? 43.949 -39.004 -46.368 1.00 31.80 ? 351 TYR B CE1 1 ATOM 2730 C CE2 . TYR B 2 22 ? 44.726 -41.260 -46.434 1.00 32.72 ? 351 TYR B CE2 1 ATOM 2731 C CZ . TYR B 2 22 ? 44.630 -40.048 -45.785 1.00 32.93 ? 351 TYR B CZ 1 ATOM 2732 O OH . TYR B 2 22 ? 45.215 -39.883 -44.542 1.00 32.27 ? 351 TYR B OH 1 ATOM 2733 N N . GLY B 2 23 ? 40.618 -40.825 -51.989 1.00 37.77 ? 352 GLY B N 1 ATOM 2734 C CA . GLY B 2 23 ? 40.155 -41.632 -53.098 1.00 37.48 ? 352 GLY B CA 1 ATOM 2735 C C . GLY B 2 23 ? 40.039 -40.942 -54.440 1.00 35.53 ? 352 GLY B C 1 ATOM 2736 O O . GLY B 2 23 ? 40.757 -39.990 -54.733 1.00 39.81 ? 352 GLY B O 1 ATOM 2737 N N . TYR B 2 24 ? 39.112 -41.429 -55.255 1.00 34.91 ? 353 TYR B N 1 ATOM 2738 C CA . TYR B 2 24 ? 39.038 -41.021 -56.647 1.00 37.42 ? 353 TYR B CA 1 ATOM 2739 C C . TYR B 2 24 ? 37.643 -40.623 -57.086 1.00 37.78 ? 353 TYR B C 1 ATOM 2740 O O . TYR B 2 24 ? 36.642 -41.061 -56.522 1.00 39.75 ? 353 TYR B O 1 ATOM 2741 C CB . TYR B 2 24 ? 39.512 -42.142 -57.566 1.00 34.44 ? 353 TYR B CB 1 ATOM 2742 C CG . TYR B 2 24 ? 40.727 -42.905 -57.114 1.00 36.04 ? 353 TYR B CG 1 ATOM 2743 C CD1 . TYR B 2 24 ? 40.606 -43.980 -56.245 1.00 35.48 ? 353 TYR B CD1 1 ATOM 2744 C CD2 . TYR B 2 24 ? 41.992 -42.598 -57.610 1.00 38.45 ? 353 TYR B CD2 1 ATOM 2745 C CE1 . TYR B 2 24 ? 41.718 -44.709 -55.848 1.00 37.47 ? 353 TYR B CE1 1 ATOM 2746 C CE2 . TYR B 2 24 ? 43.106 -43.320 -57.225 1.00 31.91 ? 353 TYR B CE2 1 ATOM 2747 C CZ . TYR B 2 24 ? 42.963 -44.374 -56.345 1.00 37.10 ? 353 TYR B CZ 1 ATOM 2748 O OH . TYR B 2 24 ? 44.063 -45.097 -55.947 1.00 38.97 ? 353 TYR B OH 1 ATOM 2749 N N . HIS B 2 25 ? 37.600 -39.787 -58.113 1.00 39.15 ? 354 HIS B N 1 ATOM 2750 C CA . HIS B 2 25 ? 36.379 -39.529 -58.853 1.00 41.16 ? 354 HIS B CA 1 ATOM 2751 C C . HIS B 2 25 ? 36.689 -39.790 -60.313 1.00 42.96 ? 354 HIS B C 1 ATOM 2752 O O . HIS B 2 25 ? 37.601 -39.180 -60.871 1.00 41.87 ? 354 HIS B O 1 ATOM 2753 C CB . HIS B 2 25 ? 35.888 -38.101 -58.646 1.00 39.74 ? 354 HIS B CB 1 ATOM 2754 C CG . HIS B 2 25 ? 34.605 -37.798 -59.356 1.00 46.91 ? 354 HIS B CG 1 ATOM 2755 N ND1 . HIS B 2 25 ? 33.370 -38.047 -58.800 1.00 49.69 ? 354 HIS B ND1 1 ATOM 2756 C CD2 . HIS B 2 25 ? 34.366 -37.270 -60.580 1.00 46.99 ? 354 HIS B CD2 1 ATOM 2757 C CE1 . HIS B 2 25 ? 32.426 -37.679 -59.645 1.00 49.44 ? 354 HIS B CE1 1 ATOM 2758 N NE2 . HIS B 2 25 ? 33.004 -37.206 -60.733 1.00 49.32 ? 354 HIS B NE2 1 ATOM 2759 N N . HIS B 2 26 ? 35.965 -40.714 -60.931 1.00 40.58 ? 355 HIS B N 1 ATOM 2760 C CA . HIS B 2 26 ? 36.213 -41.001 -62.339 1.00 37.38 ? 355 HIS B CA 1 ATOM 2761 C C . HIS B 2 26 ? 35.021 -40.598 -63.186 1.00 41.85 ? 355 HIS B C 1 ATOM 2762 O O . HIS B 2 26 ? 33.898 -40.462 -62.705 1.00 42.39 ? 355 HIS B O 1 ATOM 2763 C CB . HIS B 2 26 ? 36.532 -42.479 -62.560 1.00 33.80 ? 355 HIS B CB 1 ATOM 2764 C CG . HIS B 2 26 ? 35.322 -43.358 -62.557 1.00 49.06 ? 355 HIS B CG 1 ATOM 2765 N ND1 . HIS B 2 26 ? 34.827 -43.939 -61.409 1.00 51.82 ? 355 HIS B ND1 1 ATOM 2766 C CD2 . HIS B 2 26 ? 34.499 -43.749 -63.562 1.00 45.63 ? 355 HIS B CD2 1 ATOM 2767 C CE1 . HIS B 2 26 ? 33.756 -44.652 -61.706 1.00 52.14 ? 355 HIS B CE1 1 ATOM 2768 N NE2 . HIS B 2 26 ? 33.536 -44.554 -63.006 1.00 51.25 ? 355 HIS B NE2 1 ATOM 2769 N N . GLU B 2 27 ? 35.273 -40.408 -64.467 1.00 49.61 ? 356 GLU B N 1 ATOM 2770 C CA . GLU B 2 27 ? 34.212 -40.054 -65.372 1.00 50.44 ? 356 GLU B CA 1 ATOM 2771 C C . GLU B 2 27 ? 34.539 -40.576 -66.754 1.00 51.45 ? 356 GLU B C 1 ATOM 2772 O O . GLU B 2 27 ? 35.570 -40.235 -67.323 1.00 53.15 ? 356 GLU B O 1 ATOM 2773 C CB . GLU B 2 27 ? 34.013 -38.547 -65.376 1.00 52.64 ? 356 GLU B CB 1 ATOM 2774 C CG . GLU B 2 27 ? 32.840 -38.082 -66.191 1.00 68.82 ? 356 GLU B CG 1 ATOM 2775 C CD . GLU B 2 27 ? 32.771 -36.574 -66.261 1.00 86.07 ? 356 GLU B CD 1 ATOM 2776 O OE1 . GLU B 2 27 ? 33.009 -35.932 -65.205 1.00 80.83 ? 356 GLU B OE1 1 ATOM 2777 O OE2 . GLU B 2 27 ? 32.490 -36.039 -67.363 1.00 80.40 ? 356 GLU B OE2 1 ATOM 2778 N N . ASN B 2 28 ? 33.673 -41.435 -67.275 1.00 47.09 ? 357 ASN B N 1 ATOM 2779 C CA . ASN B 2 28 ? 33.829 -41.943 -68.628 1.00 46.45 ? 357 ASN B CA 1 ATOM 2780 C C . ASN B 2 28 ? 32.458 -42.208 -69.275 1.00 49.84 ? 357 ASN B C 1 ATOM 2781 O O . ASN B 2 28 ? 31.432 -41.753 -68.761 1.00 49.67 ? 357 ASN B O 1 ATOM 2782 C CB . ASN B 2 28 ? 34.708 -43.196 -68.627 1.00 36.51 ? 357 ASN B CB 1 ATOM 2783 C CG . ASN B 2 28 ? 34.128 -44.327 -67.822 1.00 40.72 ? 357 ASN B CG 1 ATOM 2784 O OD1 . ASN B 2 28 ? 32.986 -44.272 -67.377 1.00 46.14 ? 357 ASN B OD1 1 ATOM 2785 N ND2 . ASN B 2 28 ? 34.910 -45.385 -67.651 1.00 42.58 ? 357 ASN B ND2 1 ATOM 2786 N N . SER B 2 29 ? 32.440 -42.925 -70.396 1.00 49.61 ? 358 SER B N 1 ATOM 2787 C CA . SER B 2 29 ? 31.193 -43.155 -71.140 1.00 52.78 ? 358 SER B CA 1 ATOM 2788 C C . SER B 2 29 ? 30.130 -43.869 -70.299 1.00 52.46 ? 358 SER B C 1 ATOM 2789 O O . SER B 2 29 ? 28.939 -43.570 -70.421 1.00 49.38 ? 358 SER B O 1 ATOM 2790 C CB . SER B 2 29 ? 31.470 -43.951 -72.418 1.00 48.21 ? 358 SER B CB 1 ATOM 2791 O OG . SER B 2 29 ? 32.289 -43.203 -73.304 1.00 55.05 ? 358 SER B OG 1 ATOM 2792 N N . GLN B 2 30 ? 30.567 -44.787 -69.437 1.00 46.48 ? 359 GLN B N 1 ATOM 2793 C CA . GLN B 2 30 ? 29.672 -45.482 -68.513 1.00 45.99 ? 359 GLN B CA 1 ATOM 2794 C C . GLN B 2 30 ? 29.183 -44.598 -67.360 1.00 46.74 ? 359 GLN B C 1 ATOM 2795 O O . GLN B 2 30 ? 28.304 -45.003 -66.597 1.00 51.40 ? 359 GLN B O 1 ATOM 2796 C CB . GLN B 2 30 ? 30.354 -46.728 -67.940 1.00 46.04 ? 359 GLN B CB 1 ATOM 2797 C CG . GLN B 2 30 ? 30.287 -47.968 -68.823 1.00 50.52 ? 359 GLN B CG 1 ATOM 2798 C CD . GLN B 2 30 ? 30.768 -47.721 -70.250 1.00 53.29 ? 359 GLN B CD 1 ATOM 2799 O OE1 . GLN B 2 30 ? 29.966 -47.444 -71.146 1.00 51.96 ? 359 GLN B OE1 1 ATOM 2800 N NE2 . GLN B 2 30 ? 32.077 -47.827 -70.466 1.00 48.88 ? 359 GLN B NE2 1 ATOM 2801 N N . GLY B 2 31 ? 29.746 -43.401 -67.222 1.00 48.12 ? 360 GLY B N 1 ATOM 2802 C CA . GLY B 2 31 ? 29.296 -42.476 -66.192 1.00 51.78 ? 360 GLY B CA 1 ATOM 2803 C C . GLY B 2 31 ? 30.306 -42.107 -65.109 1.00 54.30 ? 360 GLY B C 1 ATOM 2804 O O . GLY B 2 31 ? 31.514 -42.237 -65.301 1.00 55.00 ? 360 GLY B O 1 ATOM 2805 N N . SER B 2 32 ? 29.790 -41.669 -63.961 1.00 49.37 ? 361 SER B N 1 ATOM 2806 C CA . SER B 2 32 ? 30.571 -41.035 -62.900 1.00 41.09 ? 361 SER B CA 1 ATOM 2807 C C . SER B 2 32 ? 30.428 -41.731 -61.552 1.00 49.81 ? 361 SER B C 1 ATOM 2808 O O . SER B 2 32 ? 29.429 -42.401 -61.301 1.00 52.68 ? 361 SER B O 1 ATOM 2809 C CB . SER B 2 32 ? 30.139 -39.575 -62.732 1.00 45.17 ? 361 SER B CB 1 ATOM 2810 O OG . SER B 2 32 ? 30.215 -38.872 -63.952 1.00 60.04 ? 361 SER B OG 1 ATOM 2811 N N . GLY B 2 33 ? 31.409 -41.540 -60.671 1.00 50.37 ? 362 GLY B N 1 ATOM 2812 C CA . GLY B 2 33 ? 31.364 -42.137 -59.348 1.00 47.97 ? 362 GLY B CA 1 ATOM 2813 C C . GLY B 2 33 ? 32.562 -41.854 -58.457 1.00 50.63 ? 362 GLY B C 1 ATOM 2814 O O . GLY B 2 33 ? 33.653 -41.557 -58.940 1.00 48.81 ? 362 GLY B O 1 ATOM 2815 N N . TYR B 2 34 ? 32.344 -41.944 -57.146 1.00 50.35 ? 363 TYR B N 1 ATOM 2816 C CA . TYR B 2 34 ? 33.409 -41.835 -56.159 1.00 45.90 ? 363 TYR B CA 1 ATOM 2817 C C . TYR B 2 34 ? 33.844 -43.220 -55.699 1.00 46.77 ? 363 TYR B C 1 ATOM 2818 O O . TYR B 2 34 ? 33.033 -44.135 -55.617 1.00 50.79 ? 363 TYR B O 1 ATOM 2819 C CB . TYR B 2 34 ? 32.958 -41.011 -54.949 1.00 40.43 ? 363 TYR B CB 1 ATOM 2820 C CG . TYR B 2 34 ? 32.651 -39.559 -55.242 1.00 45.33 ? 363 TYR B CG 1 ATOM 2821 C CD1 . TYR B 2 34 ? 33.670 -38.618 -55.347 1.00 44.43 ? 363 TYR B CD1 1 ATOM 2822 C CD2 . TYR B 2 34 ? 31.345 -39.122 -55.388 1.00 45.92 ? 363 TYR B CD2 1 ATOM 2823 C CE1 . TYR B 2 34 ? 33.392 -37.278 -55.604 1.00 39.80 ? 363 TYR B CE1 1 ATOM 2824 C CE2 . TYR B 2 34 ? 31.057 -37.786 -55.654 1.00 44.28 ? 363 TYR B CE2 1 ATOM 2825 C CZ . TYR B 2 34 ? 32.083 -36.873 -55.758 1.00 45.90 ? 363 TYR B CZ 1 ATOM 2826 O OH . TYR B 2 34 ? 31.804 -35.551 -56.015 1.00 51.75 ? 363 TYR B OH 1 ATOM 2827 N N . ALA B 2 35 ? 35.124 -43.375 -55.393 1.00 42.23 ? 364 ALA B N 1 ATOM 2828 C CA . ALA B 2 35 ? 35.596 -44.613 -54.791 1.00 42.60 ? 364 ALA B CA 1 ATOM 2829 C C . ALA B 2 35 ? 36.778 -44.351 -53.860 1.00 45.34 ? 364 ALA B C 1 ATOM 2830 O O . ALA B 2 35 ? 37.732 -43.679 -54.226 1.00 43.26 ? 364 ALA B O 1 ATOM 2831 C CB . ALA B 2 35 ? 35.970 -45.616 -55.860 1.00 35.94 ? 364 ALA B CB 1 ATOM 2832 N N . ALA B 2 36 ? 36.701 -44.873 -52.645 1.00 43.50 ? 365 ALA B N 1 ATOM 2833 C CA . ALA B 2 36 ? 37.806 -44.761 -51.711 1.00 42.60 ? 365 ALA B CA 1 ATOM 2834 C C . ALA B 2 36 ? 39.017 -45.528 -52.212 1.00 41.58 ? 365 ALA B C 1 ATOM 2835 O O . ALA B 2 36 ? 38.870 -46.562 -52.859 1.00 53.66 ? 365 ALA B O 1 ATOM 2836 C CB . ALA B 2 36 ? 37.394 -45.272 -50.346 1.00 43.73 ? 365 ALA B CB 1 ATOM 2837 N N . ASP B 2 37 ? 40.213 -45.017 -51.934 1.00 48.87 ? 366 ASP B N 1 ATOM 2838 C CA . ASP B 2 37 ? 41.425 -45.825 -52.057 1.00 45.84 ? 366 ASP B CA 1 ATOM 2839 C C . ASP B 2 37 ? 41.636 -46.529 -50.729 1.00 45.16 ? 366 ASP B C 1 ATOM 2840 O O . ASP B 2 37 ? 41.981 -45.891 -49.744 1.00 46.22 ? 366 ASP B O 1 ATOM 2841 C CB . ASP B 2 37 ? 42.641 -44.967 -52.419 1.00 45.97 ? 366 ASP B CB 1 ATOM 2842 C CG . ASP B 2 37 ? 43.898 -45.799 -52.641 1.00 49.81 ? 366 ASP B CG 1 ATOM 2843 O OD1 . ASP B 2 37 ? 43.999 -46.453 -53.703 1.00 56.51 ? 366 ASP B OD1 1 ATOM 2844 O OD2 . ASP B 2 37 ? 44.788 -45.799 -51.762 1.00 48.41 ? 366 ASP B OD2 1 ATOM 2845 N N . ARG B 2 38 ? 41.414 -47.838 -50.692 1.00 51.61 ? 367 ARG B N 1 ATOM 2846 C CA . ARG B 2 38 ? 41.371 -48.549 -49.419 1.00 51.08 ? 367 ARG B CA 1 ATOM 2847 C C . ARG B 2 38 ? 42.744 -48.803 -48.820 1.00 50.87 ? 367 ARG B C 1 ATOM 2848 O O . ARG B 2 38 ? 42.885 -48.837 -47.597 1.00 51.41 ? 367 ARG B O 1 ATOM 2849 C CB . ARG B 2 38 ? 40.622 -49.877 -49.566 1.00 64.64 ? 367 ARG B CB 1 ATOM 2850 C CG . ARG B 2 38 ? 39.136 -49.710 -49.901 1.00 73.86 ? 367 ARG B CG 1 ATOM 2851 C CD . ARG B 2 38 ? 38.556 -50.983 -50.485 1.00 90.74 ? 367 ARG B CD 1 ATOM 2852 N NE . ARG B 2 38 ? 39.612 -51.879 -50.950 1.00 108.82 ? 367 ARG B NE 1 ATOM 2853 C CZ . ARG B 2 38 ? 39.426 -52.893 -51.789 1.00 112.59 ? 367 ARG B CZ 1 ATOM 2854 N NH1 . ARG B 2 38 ? 38.216 -53.142 -52.275 1.00 110.14 ? 367 ARG B NH1 1 ATOM 2855 N NH2 . ARG B 2 38 ? 40.454 -53.652 -52.149 1.00 107.24 ? 367 ARG B NH2 1 ATOM 2856 N N . GLU B 2 39 ? 43.756 -48.970 -49.663 1.00 47.23 ? 368 GLU B N 1 ATOM 2857 C CA . GLU B 2 39 ? 45.098 -49.249 -49.161 1.00 48.72 ? 368 GLU B CA 1 ATOM 2858 C C . GLU B 2 39 ? 45.642 -48.067 -48.345 1.00 46.55 ? 368 GLU B C 1 ATOM 2859 O O . GLU B 2 39 ? 46.126 -48.248 -47.228 1.00 44.50 ? 368 GLU B O 1 ATOM 2860 C CB . GLU B 2 39 ? 46.059 -49.580 -50.312 1.00 48.36 ? 368 GLU B CB 1 ATOM 2861 C CG . GLU B 2 39 ? 47.531 -49.555 -49.907 1.00 54.22 ? 368 GLU B CG 1 ATOM 2862 C CD . GLU B 2 39 ? 48.479 -49.943 -51.038 1.00 75.37 ? 368 GLU B CD 1 ATOM 2863 O OE1 . GLU B 2 39 ? 48.168 -49.649 -52.216 1.00 77.56 ? 368 GLU B OE1 1 ATOM 2864 O OE2 . GLU B 2 39 ? 49.548 -50.526 -50.743 1.00 69.47 ? 368 GLU B OE2 1 ATOM 2865 N N . SER B 2 40 ? 45.560 -46.862 -48.900 1.00 40.92 ? 369 SER B N 1 ATOM 2866 C CA . SER B 2 40 ? 46.112 -45.697 -48.229 1.00 39.48 ? 369 SER B CA 1 ATOM 2867 C C . SER B 2 40 ? 45.198 -45.217 -47.097 1.00 40.16 ? 369 SER B C 1 ATOM 2868 O O . SER B 2 40 ? 45.672 -44.680 -46.092 1.00 39.03 ? 369 SER B O 1 ATOM 2869 C CB . SER B 2 40 ? 46.359 -44.568 -49.230 1.00 36.62 ? 369 SER B CB 1 ATOM 2870 O OG . SER B 2 40 ? 45.138 -44.100 -49.767 1.00 40.43 ? 369 SER B OG 1 ATOM 2871 N N . THR B 2 41 ? 43.892 -45.406 -47.259 1.00 36.31 ? 370 THR B N 1 ATOM 2872 C CA . THR B 2 41 ? 42.957 -45.094 -46.187 1.00 35.39 ? 370 THR B CA 1 ATOM 2873 C C . THR B 2 41 ? 43.196 -45.996 -44.986 1.00 37.92 ? 370 THR B C 1 ATOM 2874 O O . THR B 2 41 ? 43.265 -45.512 -43.855 1.00 40.22 ? 370 THR B O 1 ATOM 2875 C CB . THR B 2 41 ? 41.487 -45.235 -46.623 1.00 38.31 ? 370 THR B CB 1 ATOM 2876 O OG1 . THR B 2 41 ? 41.138 -44.157 -47.499 1.00 33.37 ? 370 THR B OG1 1 ATOM 2877 C CG2 . THR B 2 41 ? 40.566 -45.194 -45.400 1.00 35.41 ? 370 THR B CG2 1 ATOM 2878 N N . GLN B 2 42 ? 43.325 -47.301 -45.228 1.00 39.00 ? 371 GLN B N 1 ATOM 2879 C CA . GLN B 2 42 ? 43.486 -48.257 -44.134 1.00 37.03 ? 371 GLN B CA 1 ATOM 2880 C C . GLN B 2 42 ? 44.805 -48.035 -43.421 1.00 39.48 ? 371 GLN B C 1 ATOM 2881 O O . GLN B 2 42 ? 44.887 -48.150 -42.192 1.00 39.51 ? 371 GLN B O 1 ATOM 2882 C CB . GLN B 2 42 ? 43.408 -49.702 -44.633 1.00 38.72 ? 371 GLN B CB 1 ATOM 2883 C CG . GLN B 2 42 ? 43.298 -50.730 -43.512 1.00 37.94 ? 371 GLN B CG 1 ATOM 2884 C CD . GLN B 2 42 ? 42.082 -50.483 -42.635 1.00 44.49 ? 371 GLN B CD 1 ATOM 2885 O OE1 . GLN B 2 42 ? 40.974 -50.297 -43.140 1.00 52.51 ? 371 GLN B OE1 1 ATOM 2886 N NE2 . GLN B 2 42 ? 42.283 -50.462 -41.318 1.00 45.39 ? 371 GLN B NE2 1 ATOM 2887 N N . LYS B 2 43 ? 45.834 -47.717 -44.200 1.00 34.67 ? 372 LYS B N 1 ATOM 2888 C CA . LYS B 2 43 ? 47.156 -47.481 -43.653 1.00 34.37 ? 372 LYS B CA 1 ATOM 2889 C C . LYS B 2 43 ? 47.136 -46.242 -42.743 1.00 40.32 ? 372 LYS B C 1 ATOM 2890 O O . LYS B 2 43 ? 47.783 -46.218 -41.681 1.00 35.79 ? 372 LYS B O 1 ATOM 2891 C CB . LYS B 2 43 ? 48.175 -47.325 -44.781 1.00 39.30 ? 372 LYS B CB 1 ATOM 2892 C CG . LYS B 2 43 ? 49.525 -46.800 -44.334 1.00 46.38 ? 372 LYS B CG 1 ATOM 2893 C CD . LYS B 2 43 ? 50.506 -46.720 -45.482 1.00 47.30 ? 372 LYS B CD 1 ATOM 2894 C CE . LYS B 2 43 ? 51.914 -46.423 -44.975 1.00 55.44 ? 372 LYS B CE 1 ATOM 2895 N NZ . LYS B 2 43 ? 52.949 -46.636 -46.035 1.00 57.98 ? 372 LYS B NZ 1 ATOM 2896 N N . ALA B 2 44 ? 46.365 -45.232 -43.146 1.00 32.35 ? 373 ALA B N 1 ATOM 2897 C CA . ALA B 2 44 ? 46.228 -44.013 -42.355 1.00 31.62 ? 373 ALA B CA 1 ATOM 2898 C C . ALA B 2 44 ? 45.436 -44.275 -41.075 1.00 36.29 ? 373 ALA B C 1 ATOM 2899 O O . ALA B 2 44 ? 45.800 -43.791 -39.998 1.00 37.78 ? 373 ALA B O 1 ATOM 2900 C CB . ALA B 2 44 ? 45.568 -42.912 -43.173 1.00 30.89 ? 373 ALA B CB 1 ATOM 2901 N N . ILE B 2 45 ? 44.351 -45.039 -41.192 1.00 34.87 ? 374 ILE B N 1 ATOM 2902 C CA . ILE B 2 45 ? 43.554 -45.400 -40.029 1.00 32.13 ? 374 ILE B CA 1 ATOM 2903 C C . ILE B 2 45 ? 44.399 -46.188 -39.021 1.00 32.73 ? 374 ILE B C 1 ATOM 2904 O O . ILE B 2 45 ? 44.313 -45.949 -37.826 1.00 38.76 ? 374 ILE B O 1 ATOM 2905 C CB . ILE B 2 45 ? 42.300 -46.227 -40.426 1.00 37.77 ? 374 ILE B CB 1 ATOM 2906 C CG1 . ILE B 2 45 ? 41.313 -45.372 -41.231 1.00 36.81 ? 374 ILE B CG1 1 ATOM 2907 C CG2 . ILE B 2 45 ? 41.599 -46.781 -39.189 1.00 29.51 ? 374 ILE B CG2 1 ATOM 2908 C CD1 . ILE B 2 45 ? 40.160 -46.180 -41.861 1.00 29.65 ? 374 ILE B CD1 1 ATOM 2909 N N . ASP B 2 46 ? 45.214 -47.123 -39.498 1.00 40.82 ? 375 ASP B N 1 ATOM 2910 C CA . ASP B 2 46 ? 46.042 -47.927 -38.603 1.00 42.10 ? 375 ASP B CA 1 ATOM 2911 C C . ASP B 2 46 ? 47.068 -47.044 -37.894 1.00 42.99 ? 375 ASP B C 1 ATOM 2912 O O . ASP B 2 46 ? 47.302 -47.197 -36.700 1.00 45.15 ? 375 ASP B O 1 ATOM 2913 C CB . ASP B 2 46 ? 46.757 -49.058 -39.359 1.00 41.63 ? 375 ASP B CB 1 ATOM 2914 C CG . ASP B 2 46 ? 45.788 -50.096 -39.951 1.00 53.72 ? 375 ASP B CG 1 ATOM 2915 O OD1 . ASP B 2 46 ? 44.636 -50.224 -39.466 1.00 48.63 ? 375 ASP B OD1 1 ATOM 2916 O OD2 . ASP B 2 46 ? 46.194 -50.794 -40.911 1.00 55.90 ? 375 ASP B OD2 1 ATOM 2917 N N . GLY B 2 47 ? 47.661 -46.110 -38.633 1.00 38.74 ? 376 GLY B N 1 ATOM 2918 C CA . GLY B 2 47 ? 48.658 -45.210 -38.087 1.00 32.73 ? 376 GLY B CA 1 ATOM 2919 C C . GLY B 2 47 ? 48.110 -44.275 -37.022 1.00 36.09 ? 376 GLY B C 1 ATOM 2920 O O . GLY B 2 47 ? 48.714 -44.101 -35.966 1.00 34.20 ? 376 GLY B O 1 ATOM 2921 N N . ILE B 2 48 ? 46.959 -43.674 -37.298 1.00 38.70 ? 377 ILE B N 1 ATOM 2922 C CA . ILE B 2 48 ? 46.357 -42.719 -36.376 1.00 40.07 ? 377 ILE B CA 1 ATOM 2923 C C . ILE B 2 48 ? 45.730 -43.408 -35.165 1.00 42.51 ? 377 ILE B C 1 ATOM 2924 O O . ILE B 2 48 ? 45.800 -42.895 -34.042 1.00 43.10 ? 377 ILE B O 1 ATOM 2925 C CB . ILE B 2 48 ? 45.327 -41.851 -37.111 1.00 40.65 ? 377 ILE B CB 1 ATOM 2926 C CG1 . ILE B 2 48 ? 46.071 -40.773 -37.897 1.00 40.10 ? 377 ILE B CG1 1 ATOM 2927 C CG2 . ILE B 2 48 ? 44.368 -41.185 -36.145 1.00 38.23 ? 377 ILE B CG2 1 ATOM 2928 C CD1 . ILE B 2 48 ? 45.306 -40.277 -39.079 1.00 51.86 ? 377 ILE B CD1 1 ATOM 2929 N N . THR B 2 49 ? 45.146 -44.582 -35.389 1.00 39.52 ? 378 THR B N 1 ATOM 2930 C CA . THR B 2 49 ? 44.684 -45.430 -34.297 1.00 39.97 ? 378 THR B CA 1 ATOM 2931 C C . THR B 2 49 ? 45.842 -45.793 -33.369 1.00 39.18 ? 378 THR B C 1 ATOM 2932 O O . THR B 2 49 ? 45.701 -45.835 -32.147 1.00 40.79 ? 378 THR B O 1 ATOM 2933 C CB . THR B 2 49 ? 44.039 -46.720 -34.829 1.00 40.24 ? 378 THR B CB 1 ATOM 2934 O OG1 . THR B 2 49 ? 42.911 -46.383 -35.644 1.00 39.62 ? 378 THR B OG1 1 ATOM 2935 C CG2 . THR B 2 49 ? 43.591 -47.611 -33.689 1.00 32.30 ? 378 THR B CG2 1 ATOM 2936 N N . ASN B 2 50 ? 46.995 -46.057 -33.961 1.00 37.11 ? 379 ASN B N 1 ATOM 2937 C CA . ASN B 2 50 ? 48.159 -46.393 -33.172 1.00 35.23 ? 379 ASN B CA 1 ATOM 2938 C C . ASN B 2 50 ? 48.656 -45.180 -32.388 1.00 38.63 ? 379 ASN B C 1 ATOM 2939 O O . ASN B 2 50 ? 49.162 -45.314 -31.269 1.00 37.85 ? 379 ASN B O 1 ATOM 2940 C CB . ASN B 2 50 ? 49.264 -46.934 -34.065 1.00 36.50 ? 379 ASN B CB 1 ATOM 2941 C CG . ASN B 2 50 ? 50.321 -47.664 -33.285 1.00 43.99 ? 379 ASN B CG 1 ATOM 2942 O OD1 . ASN B 2 50 ? 50.263 -48.885 -33.139 1.00 52.59 ? 379 ASN B OD1 1 ATOM 2943 N ND2 . ASN B 2 50 ? 51.290 -46.924 -32.761 1.00 38.76 ? 379 ASN B ND2 1 ATOM 2944 N N . LYS B 2 51 ? 48.510 -43.997 -32.980 1.00 35.16 ? 380 LYS B N 1 ATOM 2945 C CA . LYS B 2 51 ? 48.947 -42.768 -32.336 1.00 37.12 ? 380 LYS B CA 1 ATOM 2946 C C . LYS B 2 51 ? 48.047 -42.425 -31.148 1.00 41.96 ? 380 LYS B C 1 ATOM 2947 O O . LYS B 2 51 ? 48.530 -42.071 -30.069 1.00 37.01 ? 380 LYS B O 1 ATOM 2948 C CB . LYS B 2 51 ? 48.963 -41.608 -33.326 1.00 36.45 ? 380 LYS B CB 1 ATOM 2949 C CG . LYS B 2 51 ? 49.245 -40.281 -32.652 1.00 38.77 ? 380 LYS B CG 1 ATOM 2950 C CD . LYS B 2 51 ? 48.968 -39.098 -33.547 1.00 39.94 ? 380 LYS B CD 1 ATOM 2951 C CE . LYS B 2 51 ? 50.014 -38.974 -34.627 1.00 43.49 ? 380 LYS B CE 1 ATOM 2952 N NZ . LYS B 2 51 ? 50.093 -37.561 -35.091 1.00 43.78 ? 380 LYS B NZ 1 ATOM 2953 N N . VAL B 2 52 ? 46.737 -42.531 -31.365 1.00 38.60 ? 381 VAL B N 1 ATOM 2954 C CA . VAL B 2 52 ? 45.759 -42.300 -30.312 1.00 38.42 ? 381 VAL B CA 1 ATOM 2955 C C . VAL B 2 52 ? 45.978 -43.269 -29.142 1.00 36.95 ? 381 VAL B C 1 ATOM 2956 O O . VAL B 2 52 ? 46.027 -42.842 -27.995 1.00 37.64 ? 381 VAL B O 1 ATOM 2957 C CB . VAL B 2 52 ? 44.304 -42.421 -30.860 1.00 37.86 ? 381 VAL B CB 1 ATOM 2958 C CG1 . VAL B 2 52 ? 43.287 -42.442 -29.727 1.00 31.07 ? 381 VAL B CG1 1 ATOM 2959 C CG2 . VAL B 2 52 ? 44.003 -41.277 -31.825 1.00 32.62 ? 381 VAL B CG2 1 ATOM 2960 N N . ASN B 2 53 ? 46.133 -44.560 -29.423 1.00 35.27 ? 382 ASN B N 1 ATOM 2961 C CA . ASN B 2 53 ? 46.345 -45.535 -28.351 1.00 34.25 ? 382 ASN B CA 1 ATOM 2962 C C . ASN B 2 53 ? 47.662 -45.344 -27.608 1.00 36.71 ? 382 ASN B C 1 ATOM 2963 O O . ASN B 2 53 ? 47.736 -45.615 -26.416 1.00 43.25 ? 382 ASN B O 1 ATOM 2964 C CB . ASN B 2 53 ? 46.282 -46.967 -28.887 1.00 30.10 ? 382 ASN B CB 1 ATOM 2965 C CG . ASN B 2 53 ? 44.901 -47.338 -29.391 1.00 38.08 ? 382 ASN B CG 1 ATOM 2966 O OD1 . ASN B 2 53 ? 43.897 -46.768 -28.956 1.00 37.65 ? 382 ASN B OD1 1 ATOM 2967 N ND2 . ASN B 2 53 ? 44.839 -48.301 -30.311 1.00 45.15 ? 382 ASN B ND2 1 ATOM 2968 N N . SER B 2 54 ? 48.702 -44.886 -28.299 1.00 35.69 ? 383 SER B N 1 ATOM 2969 C CA . SER B 2 54 ? 49.989 -44.689 -27.643 1.00 34.49 ? 383 SER B CA 1 ATOM 2970 C C . SER B 2 54 ? 49.916 -43.514 -26.691 1.00 36.70 ? 383 SER B C 1 ATOM 2971 O O . SER B 2 54 ? 50.489 -43.543 -25.604 1.00 41.38 ? 383 SER B O 1 ATOM 2972 C CB . SER B 2 54 ? 51.108 -44.469 -28.658 1.00 36.26 ? 383 SER B CB 1 ATOM 2973 O OG . SER B 2 54 ? 51.308 -45.629 -29.452 1.00 42.62 ? 383 SER B OG 1 ATOM 2974 N N . ILE B 2 55 ? 49.212 -42.472 -27.103 1.00 36.43 ? 384 ILE B N 1 ATOM 2975 C CA . ILE B 2 55 ? 49.009 -41.329 -26.235 1.00 35.59 ? 384 ILE B CA 1 ATOM 2976 C C . ILE B 2 55 ? 48.188 -41.747 -25.022 1.00 38.79 ? 384 ILE B C 1 ATOM 2977 O O . ILE B 2 55 ? 48.540 -41.451 -23.883 1.00 40.37 ? 384 ILE B O 1 ATOM 2978 C CB . ILE B 2 55 ? 48.322 -40.184 -26.982 1.00 34.99 ? 384 ILE B CB 1 ATOM 2979 C CG1 . ILE B 2 55 ? 49.256 -39.661 -28.081 1.00 29.63 ? 384 ILE B CG1 1 ATOM 2980 C CG2 . ILE B 2 55 ? 47.900 -39.076 -26.005 1.00 30.32 ? 384 ILE B CG2 1 ATOM 2981 C CD1 . ILE B 2 55 ? 48.604 -38.704 -29.033 1.00 30.55 ? 384 ILE B CD1 1 ATOM 2982 N N . ILE B 2 56 ? 47.103 -42.463 -25.272 1.00 38.28 ? 385 ILE B N 1 ATOM 2983 C CA . ILE B 2 56 ? 46.260 -42.951 -24.198 1.00 40.67 ? 385 ILE B CA 1 ATOM 2984 C C . ILE B 2 56 ? 47.046 -43.849 -23.236 1.00 43.66 ? 385 ILE B C 1 ATOM 2985 O O . ILE B 2 56 ? 46.856 -43.775 -22.019 1.00 49.04 ? 385 ILE B O 1 ATOM 2986 C CB . ILE B 2 56 ? 45.035 -43.689 -24.770 1.00 40.26 ? 385 ILE B CB 1 ATOM 2987 C CG1 . ILE B 2 56 ? 44.020 -42.662 -25.303 1.00 38.05 ? 385 ILE B CG1 1 ATOM 2988 C CG2 . ILE B 2 56 ? 44.414 -44.592 -23.730 1.00 31.43 ? 385 ILE B CG2 1 ATOM 2989 C CD1 . ILE B 2 56 ? 42.846 -43.270 -26.089 1.00 32.24 ? 385 ILE B CD1 1 ATOM 2990 N N . ASN B 2 57 ? 47.966 -44.654 -23.759 1.00 42.41 ? 386 ASN B N 1 ATOM 2991 C CA . ASN B 2 57 ? 48.767 -45.515 -22.891 1.00 42.44 ? 386 ASN B CA 1 ATOM 2992 C C . ASN B 2 57 ? 49.862 -44.793 -22.103 1.00 42.41 ? 386 ASN B C 1 ATOM 2993 O O . ASN B 2 57 ? 50.154 -45.170 -20.978 1.00 48.53 ? 386 ASN B O 1 ATOM 2994 C CB . ASN B 2 57 ? 49.392 -46.655 -23.699 1.00 44.04 ? 386 ASN B CB 1 ATOM 2995 C CG . ASN B 2 57 ? 48.366 -47.704 -24.110 1.00 59.25 ? 386 ASN B CG 1 ATOM 2996 O OD1 . ASN B 2 57 ? 47.294 -47.807 -23.508 1.00 69.41 ? 386 ASN B OD1 1 ATOM 2997 N ND2 . ASN B 2 57 ? 48.687 -48.485 -25.137 1.00 57.51 ? 386 ASN B ND2 1 ATOM 2998 N N . LYS B 2 58 ? 50.472 -43.762 -22.678 1.00 44.40 ? 387 LYS B N 1 ATOM 2999 C CA . LYS B 2 58 ? 51.532 -43.037 -21.973 1.00 43.46 ? 387 LYS B CA 1 ATOM 3000 C C . LYS B 2 58 ? 50.950 -42.160 -20.873 1.00 46.47 ? 387 LYS B C 1 ATOM 3001 O O . LYS B 2 58 ? 51.632 -41.835 -19.897 1.00 46.03 ? 387 LYS B O 1 ATOM 3002 C CB . LYS B 2 58 ? 52.369 -42.186 -22.940 1.00 41.64 ? 387 LYS B CB 1 ATOM 3003 C CG . LYS B 2 58 ? 53.128 -43.005 -23.963 1.00 38.84 ? 387 LYS B CG 1 ATOM 3004 C CD . LYS B 2 58 ? 53.781 -44.180 -23.283 1.00 39.87 ? 387 LYS B CD 1 ATOM 3005 C CE . LYS B 2 58 ? 54.427 -45.130 -24.268 1.00 45.59 ? 387 LYS B CE 1 ATOM 3006 N NZ . LYS B 2 58 ? 54.742 -46.410 -23.589 1.00 43.80 ? 387 LYS B NZ 1 ATOM 3007 N N . MET B 2 59 ? 49.686 -41.786 -21.034 1.00 46.50 ? 388 MET B N 1 ATOM 3008 C CA . MET B 2 59 ? 48.983 -40.976 -20.044 1.00 48.74 ? 388 MET B CA 1 ATOM 3009 C C . MET B 2 59 ? 48.246 -41.816 -19.000 1.00 43.26 ? 388 MET B C 1 ATOM 3010 O O . MET B 2 59 ? 47.409 -41.297 -18.274 1.00 44.98 ? 388 MET B O 1 ATOM 3011 C CB . MET B 2 59 ? 47.991 -40.051 -20.745 1.00 42.09 ? 388 MET B CB 1 ATOM 3012 C CG . MET B 2 59 ? 48.642 -39.046 -21.648 1.00 36.12 ? 388 MET B CG 1 ATOM 3013 S SD . MET B 2 59 ? 49.507 -37.784 -20.708 1.00 47.53 ? 388 MET B SD 1 ATOM 3014 C CE . MET B 2 59 ? 49.886 -36.622 -22.011 1.00 38.07 ? 388 MET B CE 1 ATOM 3015 N N . ASN B 2 60 ? 48.573 -43.103 -18.928 1.00 55.53 ? 389 ASN B N 1 ATOM 3016 C CA . ASN B 2 60 ? 47.822 -44.073 -18.125 1.00 57.25 ? 389 ASN B CA 1 ATOM 3017 C C . ASN B 2 60 ? 48.328 -44.217 -16.686 1.00 56.24 ? 389 ASN B C 1 ATOM 3018 O O . ASN B 2 60 ? 48.158 -45.258 -16.052 1.00 58.64 ? 389 ASN B O 1 ATOM 3019 C CB . ASN B 2 60 ? 47.850 -45.438 -18.826 1.00 64.29 ? 389 ASN B CB 1 ATOM 3020 C CG . ASN B 2 60 ? 46.841 -46.424 -18.253 1.00 80.53 ? 389 ASN B CG 1 ATOM 3021 O OD1 . ASN B 2 60 ? 45.841 -46.033 -17.643 1.00 86.23 ? 389 ASN B OD1 1 ATOM 3022 N ND2 . ASN B 2 60 ? 47.106 -47.716 -18.441 1.00 82.96 ? 389 ASN B ND2 1 ATOM 3023 N N . THR B 2 61 ? 48.969 -43.180 -16.170 1.00 50.58 ? 390 THR B N 1 ATOM 3024 C CA . THR B 2 61 ? 49.279 -43.147 -14.749 1.00 47.35 ? 390 THR B CA 1 ATOM 3025 C C . THR B 2 61 ? 48.591 -41.935 -14.156 1.00 47.19 ? 390 THR B C 1 ATOM 3026 O O . THR B 2 61 ? 48.203 -41.021 -14.882 1.00 44.48 ? 390 THR B O 1 ATOM 3027 C CB . THR B 2 61 ? 50.797 -43.088 -14.462 1.00 49.09 ? 390 THR B CB 1 ATOM 3028 O OG1 . THR B 2 61 ? 51.363 -41.920 -15.061 1.00 50.74 ? 390 THR B OG1 1 ATOM 3029 C CG2 . THR B 2 61 ? 51.488 -44.312 -14.993 1.00 41.65 ? 390 THR B CG2 1 ATOM 3030 N N . GLN B 2 62 ? 48.424 -41.927 -12.841 1.00 45.32 ? 391 GLN B N 1 ATOM 3031 C CA . GLN B 2 62 ? 47.790 -40.792 -12.185 1.00 43.02 ? 391 GLN B CA 1 ATOM 3032 C C . GLN B 2 62 ? 48.592 -40.370 -10.976 1.00 44.47 ? 391 GLN B C 1 ATOM 3033 O O . GLN B 2 62 ? 49.034 -41.209 -10.184 1.00 45.24 ? 391 GLN B O 1 ATOM 3034 C CB . GLN B 2 62 ? 46.350 -41.123 -11.766 1.00 45.94 ? 391 GLN B CB 1 ATOM 3035 C CG . GLN B 2 62 ? 45.361 -41.275 -12.911 1.00 41.75 ? 391 GLN B CG 1 ATOM 3036 C CD . GLN B 2 62 ? 45.458 -42.636 -13.580 1.00 47.81 ? 391 GLN B CD 1 ATOM 3037 O OE1 . GLN B 2 62 ? 45.574 -43.660 -12.909 1.00 46.97 ? 391 GLN B OE1 1 ATOM 3038 N NE2 . GLN B 2 62 ? 45.433 -42.650 -14.909 1.00 51.50 ? 391 GLN B NE2 1 ATOM 3039 N N . PHE B 2 63 ? 48.788 -39.065 -10.836 1.00 42.54 ? 392 PHE B N 1 ATOM 3040 C CA . PHE B 2 63 ? 49.315 -38.536 -9.595 1.00 40.86 ? 392 PHE B CA 1 ATOM 3041 C C . PHE B 2 63 ? 48.204 -38.489 -8.542 1.00 45.84 ? 392 PHE B C 1 ATOM 3042 O O . PHE B 2 63 ? 47.126 -37.952 -8.794 1.00 49.93 ? 392 PHE B O 1 ATOM 3043 C CB . PHE B 2 63 ? 49.909 -37.151 -9.789 1.00 37.38 ? 392 PHE B CB 1 ATOM 3044 C CG . PHE B 2 63 ? 50.275 -36.500 -8.500 1.00 43.22 ? 392 PHE B CG 1 ATOM 3045 C CD1 . PHE B 2 63 ? 51.454 -36.832 -7.866 1.00 31.68 ? 392 PHE B CD1 1 ATOM 3046 C CD2 . PHE B 2 63 ? 49.413 -35.602 -7.888 1.00 40.54 ? 392 PHE B CD2 1 ATOM 3047 C CE1 . PHE B 2 63 ? 51.773 -36.270 -6.675 1.00 36.05 ? 392 PHE B CE1 1 ATOM 3048 C CE2 . PHE B 2 63 ? 49.736 -35.031 -6.677 1.00 39.81 ? 392 PHE B CE2 1 ATOM 3049 C CZ . PHE B 2 63 ? 50.914 -35.361 -6.072 1.00 37.71 ? 392 PHE B CZ 1 ATOM 3050 N N . GLU B 2 64 ? 48.458 -39.035 -7.358 1.00 54.04 ? 393 GLU B N 1 ATOM 3051 C CA . GLU B 2 64 ? 47.389 -39.134 -6.361 1.00 59.09 ? 393 GLU B CA 1 ATOM 3052 C C . GLU B 2 64 ? 47.511 -38.075 -5.271 1.00 51.41 ? 393 GLU B C 1 ATOM 3053 O O . GLU B 2 64 ? 48.393 -38.147 -4.413 1.00 56.05 ? 393 GLU B O 1 ATOM 3054 C CB . GLU B 2 64 ? 47.370 -40.526 -5.720 1.00 67.60 ? 393 GLU B CB 1 ATOM 3055 C CG . GLU B 2 64 ? 47.569 -41.679 -6.707 1.00 75.88 ? 393 GLU B CG 1 ATOM 3056 C CD . GLU B 2 64 ? 46.282 -42.419 -7.045 1.00 76.08 ? 393 GLU B CD 1 ATOM 3057 O OE1 . GLU B 2 64 ? 45.333 -42.390 -6.231 1.00 76.66 ? 393 GLU B OE1 1 ATOM 3058 O OE2 . GLU B 2 64 ? 46.225 -43.036 -8.133 1.00 83.89 ? 393 GLU B OE2 1 ATOM 3059 N N . ALA B 2 65 ? 46.627 -37.087 -5.321 1.00 35.31 ? 394 ALA B N 1 ATOM 3060 C CA . ALA B 2 65 ? 46.478 -36.134 -4.233 1.00 39.87 ? 394 ALA B CA 1 ATOM 3061 C C . ALA B 2 65 ? 45.813 -36.809 -3.026 1.00 42.86 ? 394 ALA B C 1 ATOM 3062 O O . ALA B 2 65 ? 45.012 -37.731 -3.175 1.00 42.78 ? 394 ALA B O 1 ATOM 3063 C CB . ALA B 2 65 ? 45.675 -34.937 -4.684 1.00 35.14 ? 394 ALA B CB 1 ATOM 3064 N N . VAL B 2 66 ? 46.171 -36.371 -1.830 1.00 44.74 ? 395 VAL B N 1 ATOM 3065 C CA . VAL B 2 66 ? 45.517 -36.862 -0.621 1.00 53.83 ? 395 VAL B CA 1 ATOM 3066 C C . VAL B 2 66 ? 45.042 -35.663 0.173 1.00 51.69 ? 395 VAL B C 1 ATOM 3067 O O . VAL B 2 66 ? 45.663 -34.602 0.117 1.00 63.73 ? 395 VAL B O 1 ATOM 3068 C CB . VAL B 2 66 ? 46.467 -37.725 0.247 1.00 51.19 ? 395 VAL B CB 1 ATOM 3069 C CG1 . VAL B 2 66 ? 47.100 -38.833 -0.592 1.00 45.89 ? 395 VAL B CG1 1 ATOM 3070 C CG2 . VAL B 2 66 ? 47.543 -36.864 0.881 1.00 47.78 ? 395 VAL B CG2 1 ATOM 3071 N N . ASP B 2 67 ? 43.948 -35.778 0.908 1.00 58.97 ? 396 ASP B N 1 ATOM 3072 C CA . ASP B 2 67 ? 43.702 -34.684 1.840 1.00 74.52 ? 396 ASP B CA 1 ATOM 3073 C C . ASP B 2 67 ? 43.873 -35.192 3.272 1.00 59.24 ? 396 ASP B C 1 ATOM 3074 O O . ASP B 2 67 ? 42.943 -35.235 4.076 1.00 55.86 ? 396 ASP B O 1 ATOM 3075 C CB . ASP B 2 67 ? 42.337 -34.022 1.627 1.00 76.48 ? 396 ASP B CB 1 ATOM 3076 C CG . ASP B 2 67 ? 42.264 -32.627 2.260 1.00 80.91 ? 396 ASP B CG 1 ATOM 3077 O OD1 . ASP B 2 67 ? 42.848 -32.410 3.351 1.00 85.51 ? 396 ASP B OD1 1 ATOM 3078 O OD2 . ASP B 2 67 ? 41.668 -31.727 1.633 1.00 86.85 ? 396 ASP B OD2 1 ATOM 3079 N N . HIS B 2 68 ? 45.104 -35.602 3.535 1.00 43.70 ? 397 HIS B N 1 ATOM 3080 C CA . HIS B 2 68 ? 45.662 -35.617 4.858 1.00 41.51 ? 397 HIS B CA 1 ATOM 3081 C C . HIS B 2 68 ? 45.545 -34.221 5.413 1.00 44.67 ? 397 HIS B C 1 ATOM 3082 O O . HIS B 2 68 ? 45.615 -33.249 4.661 1.00 45.57 ? 397 HIS B O 1 ATOM 3083 C CB . HIS B 2 68 ? 47.112 -36.064 4.806 1.00 35.77 ? 397 HIS B CB 1 ATOM 3084 C CG . HIS B 2 68 ? 47.269 -37.524 4.551 1.00 38.33 ? 397 HIS B CG 1 ATOM 3085 N ND1 . HIS B 2 68 ? 48.377 -38.061 3.933 1.00 40.73 ? 397 HIS B ND1 1 ATOM 3086 C CD2 . HIS B 2 68 ? 46.457 -38.567 4.844 1.00 38.42 ? 397 HIS B CD2 1 ATOM 3087 C CE1 . HIS B 2 68 ? 48.242 -39.372 3.857 1.00 44.19 ? 397 HIS B CE1 1 ATOM 3088 N NE2 . HIS B 2 68 ? 47.087 -39.706 4.408 1.00 46.23 ? 397 HIS B NE2 1 ATOM 3089 N N . GLU B 2 69 ? 45.353 -34.106 6.720 1.00 43.27 ? 398 GLU B N 1 ATOM 3090 C CA . GLU B 2 69 ? 45.219 -32.785 7.308 1.00 45.30 ? 398 GLU B CA 1 ATOM 3091 C C . GLU B 2 69 ? 46.511 -32.362 7.987 1.00 42.31 ? 398 GLU B C 1 ATOM 3092 O O . GLU B 2 69 ? 47.396 -33.179 8.239 1.00 40.12 ? 398 GLU B O 1 ATOM 3093 C CB . GLU B 2 69 ? 44.051 -32.743 8.290 1.00 46.76 ? 398 GLU B CB 1 ATOM 3094 C CG . GLU B 2 69 ? 42.692 -32.791 7.610 1.00 46.88 ? 398 GLU B CG 1 ATOM 3095 C CD . GLU B 2 69 ? 41.540 -32.646 8.585 1.00 58.90 ? 398 GLU B CD 1 ATOM 3096 O OE1 . GLU B 2 69 ? 41.728 -32.935 9.792 1.00 58.03 ? 398 GLU B OE1 1 ATOM 3097 O OE2 . GLU B 2 69 ? 40.445 -32.237 8.142 1.00 63.90 ? 398 GLU B OE2 1 ATOM 3098 N N . PHE B 2 70 ? 46.615 -31.070 8.260 1.00 42.70 ? 399 PHE B N 1 ATOM 3099 C CA . PHE B 2 70 ? 47.803 -30.512 8.872 1.00 41.08 ? 399 PHE B CA 1 ATOM 3100 C C . PHE B 2 70 ? 47.405 -29.470 9.913 1.00 41.02 ? 399 PHE B C 1 ATOM 3101 O O . PHE B 2 70 ? 46.595 -28.586 9.638 1.00 44.72 ? 399 PHE B O 1 ATOM 3102 C CB . PHE B 2 70 ? 48.715 -29.909 7.797 1.00 34.12 ? 399 PHE B CB 1 ATOM 3103 C CG . PHE B 2 70 ? 49.160 -30.906 6.759 1.00 37.32 ? 399 PHE B CG 1 ATOM 3104 C CD1 . PHE B 2 70 ? 50.274 -31.708 6.979 1.00 31.59 ? 399 PHE B CD1 1 ATOM 3105 C CD2 . PHE B 2 70 ? 48.457 -31.052 5.563 1.00 36.30 ? 399 PHE B CD2 1 ATOM 3106 C CE1 . PHE B 2 70 ? 50.682 -32.629 6.029 1.00 30.86 ? 399 PHE B CE1 1 ATOM 3107 C CE2 . PHE B 2 70 ? 48.859 -31.978 4.608 1.00 32.30 ? 399 PHE B CE2 1 ATOM 3108 C CZ . PHE B 2 70 ? 49.971 -32.767 4.843 1.00 33.39 ? 399 PHE B CZ 1 ATOM 3109 N N . SER B 2 71 ? 47.969 -29.584 11.109 1.00 41.10 ? 400 SER B N 1 ATOM 3110 C CA . SER B 2 71 ? 47.644 -28.665 12.193 1.00 45.40 ? 400 SER B CA 1 ATOM 3111 C C . SER B 2 71 ? 48.195 -27.271 11.909 1.00 45.91 ? 400 SER B C 1 ATOM 3112 O O . SER B 2 71 ? 48.869 -27.052 10.907 1.00 42.64 ? 400 SER B O 1 ATOM 3113 C CB . SER B 2 71 ? 48.190 -29.188 13.525 1.00 40.17 ? 400 SER B CB 1 ATOM 3114 O OG . SER B 2 71 ? 49.604 -29.091 13.584 1.00 40.56 ? 400 SER B OG 1 ATOM 3115 N N . ASN B 2 72 ? 47.907 -26.332 12.802 1.00 61.13 ? 401 ASN B N 1 ATOM 3116 C CA . ASN B 2 72 ? 48.349 -24.955 12.633 1.00 57.28 ? 401 ASN B CA 1 ATOM 3117 C C . ASN B 2 72 ? 49.849 -24.796 12.893 1.00 55.75 ? 401 ASN B C 1 ATOM 3118 O O . ASN B 2 72 ? 50.446 -23.792 12.510 1.00 58.16 ? 401 ASN B O 1 ATOM 3119 C CB . ASN B 2 72 ? 47.531 -24.023 13.542 1.00 62.89 ? 401 ASN B CB 1 ATOM 3120 C CG . ASN B 2 72 ? 47.473 -24.504 14.988 1.00 75.32 ? 401 ASN B CG 1 ATOM 3121 O OD1 . ASN B 2 72 ? 47.342 -25.705 15.258 1.00 77.32 ? 401 ASN B OD1 1 ATOM 3122 N ND2 . ASN B 2 72 ? 47.568 -23.564 15.929 1.00 73.95 ? 401 ASN B ND2 1 ATOM 3123 N N . LEU B 2 73 ? 50.460 -25.799 13.519 1.00 50.25 ? 402 LEU B N 1 ATOM 3124 C CA . LEU B 2 73 ? 51.912 -25.822 13.713 1.00 48.76 ? 402 LEU B CA 1 ATOM 3125 C C . LEU B 2 73 ? 52.611 -26.673 12.640 1.00 45.56 ? 402 LEU B C 1 ATOM 3126 O O . LEU B 2 73 ? 53.788 -27.022 12.761 1.00 41.00 ? 402 LEU B O 1 ATOM 3127 C CB . LEU B 2 73 ? 52.255 -26.340 15.118 1.00 46.79 ? 402 LEU B CB 1 ATOM 3128 C CG . LEU B 2 73 ? 51.935 -25.358 16.264 1.00 53.20 ? 402 LEU B CG 1 ATOM 3129 C CD1 . LEU B 2 73 ? 52.264 -25.955 17.616 1.00 39.71 ? 402 LEU B CD1 1 ATOM 3130 C CD2 . LEU B 2 73 ? 52.665 -24.025 16.079 1.00 48.65 ? 402 LEU B CD2 1 ATOM 3131 N N . GLU B 2 74 ? 51.871 -27.004 11.589 1.00 44.97 ? 403 GLU B N 1 ATOM 3132 C CA . GLU B 2 74 ? 52.426 -27.733 10.456 1.00 46.28 ? 403 GLU B CA 1 ATOM 3133 C C . GLU B 2 74 ? 52.167 -26.972 9.165 1.00 43.76 ? 403 GLU B C 1 ATOM 3134 O O . GLU B 2 74 ? 51.876 -27.562 8.126 1.00 41.24 ? 403 GLU B O 1 ATOM 3135 C CB . GLU B 2 74 ? 51.840 -29.138 10.375 1.00 44.09 ? 403 GLU B CB 1 ATOM 3136 C CG . GLU B 2 74 ? 52.154 -29.990 11.588 1.00 39.92 ? 403 GLU B CG 1 ATOM 3137 C CD . GLU B 2 74 ? 51.458 -31.328 11.547 1.00 44.09 ? 403 GLU B CD 1 ATOM 3138 O OE1 . GLU B 2 74 ? 50.234 -31.367 11.262 1.00 41.44 ? 403 GLU B OE1 1 ATOM 3139 O OE2 . GLU B 2 74 ? 52.145 -32.343 11.784 1.00 43.08 ? 403 GLU B OE2 1 ATOM 3140 N N . ARG B 2 75 ? 52.288 -25.654 9.250 1.00 44.26 ? 404 ARG B N 1 ATOM 3141 C CA . ARG B 2 75 ? 52.102 -24.771 8.108 1.00 46.17 ? 404 ARG B CA 1 ATOM 3142 C C . ARG B 2 75 ? 53.131 -25.040 7.011 1.00 43.06 ? 404 ARG B C 1 ATOM 3143 O O . ARG B 2 75 ? 52.799 -25.009 5.826 1.00 48.02 ? 404 ARG B O 1 ATOM 3144 C CB . ARG B 2 75 ? 52.161 -23.307 8.572 1.00 48.76 ? 404 ARG B CB 1 ATOM 3145 C CG . ARG B 2 75 ? 52.176 -22.261 7.461 1.00 56.92 ? 404 ARG B CG 1 ATOM 3146 C CD . ARG B 2 75 ? 52.146 -20.826 8.022 1.00 56.61 ? 404 ARG B CD 1 ATOM 3147 N NE . ARG B 2 75 ? 50.816 -20.222 7.931 1.00 59.73 ? 404 ARG B NE 1 ATOM 3148 C CZ . ARG B 2 75 ? 49.944 -20.166 8.933 1.00 64.78 ? 404 ARG B CZ 1 ATOM 3149 N NH1 . ARG B 2 75 ? 50.257 -20.663 10.124 1.00 67.92 ? 404 ARG B NH1 1 ATOM 3150 N NH2 . ARG B 2 75 ? 48.757 -19.605 8.747 1.00 71.02 ? 404 ARG B NH2 1 ATOM 3151 N N . ARG B 2 76 ? 54.371 -25.316 7.397 1.00 34.21 ? 405 ARG B N 1 ATOM 3152 C CA . ARG B 2 76 ? 55.433 -25.560 6.420 1.00 34.68 ? 405 ARG B CA 1 ATOM 3153 C C . ARG B 2 76 ? 55.205 -26.839 5.601 1.00 33.09 ? 405 ARG B C 1 ATOM 3154 O O . ARG B 2 76 ? 55.255 -26.788 4.370 1.00 34.21 ? 405 ARG B O 1 ATOM 3155 C CB . ARG B 2 76 ? 56.800 -25.608 7.106 1.00 32.66 ? 405 ARG B CB 1 ATOM 3156 C CG . ARG B 2 76 ? 57.287 -24.245 7.602 1.00 34.96 ? 405 ARG B CG 1 ATOM 3157 C CD . ARG B 2 76 ? 58.463 -24.377 8.547 1.00 32.32 ? 405 ARG B CD 1 ATOM 3158 N NE . ARG B 2 76 ? 58.143 -25.250 9.671 1.00 35.58 ? 405 ARG B NE 1 ATOM 3159 C CZ . ARG B 2 76 ? 59.006 -26.092 10.232 1.00 36.24 ? 405 ARG B CZ 1 ATOM 3160 N NH1 . ARG B 2 76 ? 60.246 -26.187 9.768 1.00 35.75 ? 405 ARG B NH1 1 ATOM 3161 N NH2 . ARG B 2 76 ? 58.625 -26.846 11.249 1.00 31.04 ? 405 ARG B NH2 1 ATOM 3162 N N . ILE B 2 77 ? 54.941 -27.972 6.253 1.00 36.40 ? 406 ILE B N 1 ATOM 3163 C CA . ILE B 2 77 ? 54.721 -29.205 5.496 1.00 38.72 ? 406 ILE B CA 1 ATOM 3164 C C . ILE B 2 77 ? 53.343 -29.257 4.829 1.00 39.29 ? 406 ILE B C 1 ATOM 3165 O O . ILE B 2 77 ? 53.184 -29.921 3.805 1.00 39.92 ? 406 ILE B O 1 ATOM 3166 C CB . ILE B 2 77 ? 54.892 -30.478 6.351 1.00 36.77 ? 406 ILE B CB 1 ATOM 3167 C CG1 . ILE B 2 77 ? 53.866 -30.534 7.477 1.00 40.50 ? 406 ILE B CG1 1 ATOM 3168 C CG2 . ILE B 2 77 ? 56.313 -30.577 6.869 1.00 38.27 ? 406 ILE B CG2 1 ATOM 3169 C CD1 . ILE B 2 77 ? 53.975 -31.792 8.327 1.00 41.40 ? 406 ILE B CD1 1 ATOM 3170 N N . GLY B 2 78 ? 52.357 -28.563 5.393 1.00 36.14 ? 407 GLY B N 1 ATOM 3171 C CA . GLY B 2 78 ? 51.064 -28.445 4.744 1.00 30.16 ? 407 GLY B CA 1 ATOM 3172 C C . GLY B 2 78 ? 51.194 -27.677 3.432 1.00 38.07 ? 407 GLY B C 1 ATOM 3173 O O . GLY B 2 78 ? 50.508 -27.968 2.448 1.00 37.23 ? 407 GLY B O 1 ATOM 3174 N N . ASN B 2 79 ? 52.081 -26.688 3.414 1.00 39.63 ? 408 ASN B N 1 ATOM 3175 C CA . ASN B 2 79 ? 52.282 -25.882 2.219 1.00 41.36 ? 408 ASN B CA 1 ATOM 3176 C C . ASN B 2 79 ? 53.193 -26.611 1.237 1.00 39.80 ? 408 ASN B C 1 ATOM 3177 O O . ASN B 2 79 ? 53.074 -26.452 0.023 1.00 42.91 ? 408 ASN B O 1 ATOM 3178 C CB . ASN B 2 79 ? 52.857 -24.507 2.579 1.00 41.97 ? 408 ASN B CB 1 ATOM 3179 C CG . ASN B 2 79 ? 53.398 -23.763 1.362 1.00 54.26 ? 408 ASN B CG 1 ATOM 3180 O OD1 . ASN B 2 79 ? 54.610 -23.573 1.225 1.00 60.36 ? 408 ASN B OD1 1 ATOM 3181 N ND2 . ASN B 2 79 ? 52.504 -23.368 0.455 1.00 52.97 ? 408 ASN B ND2 1 ATOM 3182 N N . LEU B 2 80 ? 54.102 -27.411 1.777 1.00 38.63 ? 409 LEU B N 1 ATOM 3183 C CA . LEU B 2 80 ? 54.941 -28.278 0.975 1.00 35.00 ? 409 LEU B CA 1 ATOM 3184 C C . LEU B 2 80 ? 54.060 -29.250 0.174 1.00 35.63 ? 409 LEU B C 1 ATOM 3185 O O . LEU B 2 80 ? 54.291 -29.472 -1.011 1.00 39.44 ? 409 LEU B O 1 ATOM 3186 C CB . LEU B 2 80 ? 55.926 -29.030 1.872 1.00 35.52 ? 409 LEU B CB 1 ATOM 3187 C CG . LEU B 2 80 ? 57.210 -29.614 1.281 1.00 40.28 ? 409 LEU B CG 1 ATOM 3188 C CD1 . LEU B 2 80 ? 58.163 -29.990 2.396 1.00 34.21 ? 409 LEU B CD1 1 ATOM 3189 C CD2 . LEU B 2 80 ? 56.921 -30.835 0.418 1.00 39.93 ? 409 LEU B CD2 1 ATOM 3190 N N . ASN B 2 81 ? 53.046 -29.808 0.822 1.00 36.89 ? 410 ASN B N 1 ATOM 3191 C CA . ASN B 2 81 ? 52.144 -30.751 0.176 1.00 37.79 ? 410 ASN B CA 1 ATOM 3192 C C . ASN B 2 81 ? 51.306 -30.062 -0.894 1.00 35.80 ? 410 ASN B C 1 ATOM 3193 O O . ASN B 2 81 ? 51.073 -30.615 -1.964 1.00 38.65 ? 410 ASN B O 1 ATOM 3194 C CB . ASN B 2 81 ? 51.241 -31.430 1.215 1.00 34.94 ? 410 ASN B CB 1 ATOM 3195 C CG . ASN B 2 81 ? 50.242 -32.402 0.587 1.00 39.02 ? 410 ASN B CG 1 ATOM 3196 O OD1 . ASN B 2 81 ? 50.614 -33.457 0.085 1.00 39.38 ? 410 ASN B OD1 1 ATOM 3197 N ND2 . ASN B 2 81 ? 48.964 -32.049 0.633 1.00 40.95 ? 410 ASN B ND2 1 ATOM 3198 N N . LYS B 2 82 ? 50.873 -28.843 -0.607 1.00 37.45 ? 411 LYS B N 1 ATOM 3199 C CA . LYS B 2 82 ? 50.086 -28.088 -1.562 1.00 39.57 ? 411 LYS B CA 1 ATOM 3200 C C . LYS B 2 82 ? 50.899 -27.736 -2.819 1.00 41.08 ? 411 LYS B C 1 ATOM 3201 O O . LYS B 2 82 ? 50.421 -27.909 -3.939 1.00 41.14 ? 411 LYS B O 1 ATOM 3202 C CB . LYS B 2 82 ? 49.528 -26.819 -0.913 1.00 34.42 ? 411 LYS B CB 1 ATOM 3203 C CG . LYS B 2 82 ? 48.719 -25.980 -1.884 1.00 49.09 ? 411 LYS B CG 1 ATOM 3204 C CD . LYS B 2 82 ? 48.210 -24.687 -1.273 1.00 59.81 ? 411 LYS B CD 1 ATOM 3205 C CE . LYS B 2 82 ? 47.881 -23.672 -2.365 1.00 66.06 ? 411 LYS B CE 1 ATOM 3206 N NZ . LYS B 2 82 ? 47.032 -24.267 -3.450 1.00 72.51 ? 411 LYS B NZ 1 ATOM 3207 N N . ARG B 2 83 ? 52.123 -27.249 -2.630 1.00 36.52 ? 412 ARG B N 1 ATOM 3208 C CA . ARG B 2 83 ? 52.955 -26.821 -3.752 1.00 36.96 ? 412 ARG B CA 1 ATOM 3209 C C . ARG B 2 83 ? 53.381 -28.002 -4.604 1.00 35.81 ? 412 ARG B C 1 ATOM 3210 O O . ARG B 2 83 ? 53.646 -27.855 -5.789 1.00 36.43 ? 412 ARG B O 1 ATOM 3211 C CB . ARG B 2 83 ? 54.204 -26.077 -3.269 1.00 32.59 ? 412 ARG B CB 1 ATOM 3212 C CG . ARG B 2 83 ? 53.970 -24.635 -2.878 1.00 36.81 ? 412 ARG B CG 1 ATOM 3213 C CD . ARG B 2 83 ? 54.961 -24.209 -1.784 1.00 43.53 ? 412 ARG B CD 1 ATOM 3214 N NE . ARG B 2 83 ? 56.323 -24.555 -2.180 1.00 52.35 ? 412 ARG B NE 1 ATOM 3215 C CZ . ARG B 2 83 ? 57.213 -25.184 -1.415 1.00 42.09 ? 412 ARG B CZ 1 ATOM 3216 N NH1 . ARG B 2 83 ? 56.929 -25.535 -0.167 1.00 35.98 ? 412 ARG B NH1 1 ATOM 3217 N NH2 . ARG B 2 83 ? 58.411 -25.446 -1.913 1.00 45.64 ? 412 ARG B NH2 1 ATOM 3218 N N . MET B 2 84 ? 53.473 -29.173 -3.994 1.00 40.89 ? 413 MET B N 1 ATOM 3219 C CA . MET B 2 84 ? 53.880 -30.348 -4.734 1.00 40.52 ? 413 MET B CA 1 ATOM 3220 C C . MET B 2 84 ? 52.723 -30.904 -5.565 1.00 41.70 ? 413 MET B C 1 ATOM 3221 O O . MET B 2 84 ? 52.896 -31.270 -6.732 1.00 37.26 ? 413 MET B O 1 ATOM 3222 C CB . MET B 2 84 ? 54.415 -31.416 -3.798 1.00 34.51 ? 413 MET B CB 1 ATOM 3223 C CG . MET B 2 84 ? 54.389 -32.764 -4.458 1.00 40.10 ? 413 MET B CG 1 ATOM 3224 S SD . MET B 2 84 ? 54.373 -34.077 -3.293 1.00 52.58 ? 413 MET B SD 1 ATOM 3225 C CE . MET B 2 84 ? 53.713 -35.360 -4.287 1.00 51.06 ? 413 MET B CE 1 ATOM 3226 N N . GLU B 2 85 ? 51.547 -30.959 -4.954 1.00 35.19 ? 414 GLU B N 1 ATOM 3227 C CA . GLU B 2 85 ? 50.346 -31.373 -5.658 1.00 37.10 ? 414 GLU B CA 1 ATOM 3228 C C . GLU B 2 85 ? 50.046 -30.419 -6.813 1.00 37.99 ? 414 GLU B C 1 ATOM 3229 O O . GLU B 2 85 ? 49.790 -30.865 -7.932 1.00 37.65 ? 414 GLU B O 1 ATOM 3230 C CB . GLU B 2 85 ? 49.162 -31.463 -4.688 1.00 33.72 ? 414 GLU B CB 1 ATOM 3231 C CG . GLU B 2 85 ? 49.280 -32.668 -3.745 1.00 37.53 ? 414 GLU B CG 1 ATOM 3232 C CD . GLU B 2 85 ? 48.101 -32.826 -2.802 1.00 44.76 ? 414 GLU B CD 1 ATOM 3233 O OE1 . GLU B 2 85 ? 47.254 -31.906 -2.718 1.00 49.79 ? 414 GLU B OE1 1 ATOM 3234 O OE2 . GLU B 2 85 ? 48.009 -33.891 -2.163 1.00 40.91 ? 414 GLU B OE2 1 ATOM 3235 N N . ASP B 2 86 ? 50.083 -29.113 -6.554 1.00 35.58 ? 415 ASP B N 1 ATOM 3236 C CA . ASP B 2 86 ? 49.918 -28.137 -7.626 1.00 35.63 ? 415 ASP B CA 1 ATOM 3237 C C . ASP B 2 86 ? 51.050 -28.266 -8.649 1.00 38.25 ? 415 ASP B C 1 ATOM 3238 O O . ASP B 2 86 ? 50.859 -28.018 -9.829 1.00 34.92 ? 415 ASP B O 1 ATOM 3239 C CB . ASP B 2 86 ? 49.874 -26.712 -7.075 1.00 38.62 ? 415 ASP B CB 1 ATOM 3240 C CG . ASP B 2 86 ? 48.622 -26.431 -6.264 1.00 51.26 ? 415 ASP B CG 1 ATOM 3241 O OD1 . ASP B 2 86 ? 47.639 -27.198 -6.387 1.00 53.53 ? 415 ASP B OD1 1 ATOM 3242 O OD2 . ASP B 2 86 ? 48.614 -25.428 -5.513 1.00 55.02 ? 415 ASP B OD2 1 ATOM 3243 N N . GLY B 2 87 ? 52.230 -28.661 -8.177 1.00 35.56 ? 416 GLY B N 1 ATOM 3244 C CA . GLY B 2 87 ? 53.376 -28.841 -9.037 1.00 29.47 ? 416 GLY B CA 1 ATOM 3245 C C . GLY B 2 87 ? 53.108 -29.863 -10.126 1.00 35.11 ? 416 GLY B C 1 ATOM 3246 O O . GLY B 2 87 ? 53.322 -29.578 -11.301 1.00 33.67 ? 416 GLY B O 1 ATOM 3247 N N . PHE B 2 88 ? 52.625 -31.044 -9.739 1.00 31.00 ? 417 PHE B N 1 ATOM 3248 C CA . PHE B 2 88 ? 52.373 -32.112 -10.700 1.00 31.45 ? 417 PHE B CA 1 ATOM 3249 C C . PHE B 2 88 ? 51.146 -31.822 -11.537 1.00 33.70 ? 417 PHE B C 1 ATOM 3250 O O . PHE B 2 88 ? 51.077 -32.224 -12.695 1.00 37.27 ? 417 PHE B O 1 ATOM 3251 C CB . PHE B 2 88 ? 52.235 -33.464 -9.999 1.00 29.67 ? 417 PHE B CB 1 ATOM 3252 C CG . PHE B 2 88 ? 53.541 -34.012 -9.525 1.00 32.94 ? 417 PHE B CG 1 ATOM 3253 C CD1 . PHE B 2 88 ? 54.515 -34.382 -10.440 1.00 27.28 ? 417 PHE B CD1 1 ATOM 3254 C CD2 . PHE B 2 88 ? 53.814 -34.134 -8.167 1.00 27.64 ? 417 PHE B CD2 1 ATOM 3255 C CE1 . PHE B 2 88 ? 55.739 -34.867 -10.017 1.00 28.47 ? 417 PHE B CE1 1 ATOM 3256 C CE2 . PHE B 2 88 ? 55.032 -34.632 -7.735 1.00 28.64 ? 417 PHE B CE2 1 ATOM 3257 C CZ . PHE B 2 88 ? 55.999 -34.990 -8.659 1.00 32.57 ? 417 PHE B CZ 1 ATOM 3258 N N . LEU B 2 89 ? 50.183 -31.118 -10.962 1.00 34.55 ? 418 LEU B N 1 ATOM 3259 C CA . LEU B 2 89 ? 49.006 -30.724 -11.716 1.00 36.39 ? 418 LEU B CA 1 ATOM 3260 C C . LEU B 2 89 ? 49.419 -29.837 -12.900 1.00 36.55 ? 418 LEU B C 1 ATOM 3261 O O . LEU B 2 89 ? 48.900 -29.974 -14.008 1.00 37.06 ? 418 LEU B O 1 ATOM 3262 C CB . LEU B 2 89 ? 48.009 -30.004 -10.810 1.00 33.83 ? 418 LEU B CB 1 ATOM 3263 C CG . LEU B 2 89 ? 46.773 -29.427 -11.482 1.00 38.16 ? 418 LEU B CG 1 ATOM 3264 C CD1 . LEU B 2 89 ? 46.119 -30.499 -12.334 1.00 40.53 ? 418 LEU B CD1 1 ATOM 3265 C CD2 . LEU B 2 89 ? 45.808 -28.918 -10.439 1.00 37.01 ? 418 LEU B CD2 1 ATOM 3266 N N . ASP B 2 90 ? 50.377 -28.948 -12.665 1.00 34.53 ? 419 ASP B N 1 ATOM 3267 C CA . ASP B 2 90 ? 50.808 -28.023 -13.693 1.00 34.10 ? 419 ASP B CA 1 ATOM 3268 C C . ASP B 2 90 ? 51.641 -28.710 -14.779 1.00 38.93 ? 419 ASP B C 1 ATOM 3269 O O . ASP B 2 90 ? 51.482 -28.385 -15.962 1.00 36.29 ? 419 ASP B O 1 ATOM 3270 C CB . ASP B 2 90 ? 51.594 -26.863 -13.084 1.00 40.42 ? 419 ASP B CB 1 ATOM 3271 C CG . ASP B 2 90 ? 50.695 -25.826 -12.409 1.00 46.88 ? 419 ASP B CG 1 ATOM 3272 O OD1 . ASP B 2 90 ? 49.551 -25.626 -12.865 1.00 55.64 ? 419 ASP B OD1 1 ATOM 3273 O OD2 . ASP B 2 90 ? 51.139 -25.201 -11.420 1.00 55.91 ? 419 ASP B OD2 1 ATOM 3274 N N . VAL B 2 91 ? 52.509 -29.662 -14.426 1.00 32.90 ? 420 VAL B N 1 ATOM 3275 C CA . VAL B 2 91 ? 53.296 -30.263 -15.494 1.00 31.52 ? 420 VAL B CA 1 ATOM 3276 C C . VAL B 2 91 ? 52.440 -31.228 -16.314 1.00 32.86 ? 420 VAL B C 1 ATOM 3277 O O . VAL B 2 91 ? 52.640 -31.338 -17.525 1.00 35.18 ? 420 VAL B O 1 ATOM 3278 C CB . VAL B 2 91 ? 54.611 -30.981 -15.004 1.00 34.01 ? 420 VAL B CB 1 ATOM 3279 C CG1 . VAL B 2 91 ? 55.038 -30.531 -13.620 1.00 26.02 ? 420 VAL B CG1 1 ATOM 3280 C CG2 . VAL B 2 91 ? 54.519 -32.495 -15.117 1.00 28.40 ? 420 VAL B CG2 1 ATOM 3281 N N . TRP B 2 92 ? 51.461 -31.888 -15.700 1.00 28.75 ? 421 TRP B N 1 ATOM 3282 C CA . TRP B 2 92 ? 50.622 -32.798 -16.479 1.00 30.41 ? 421 TRP B CA 1 ATOM 3283 C C . TRP B 2 92 ? 49.622 -32.066 -17.375 1.00 33.11 ? 421 TRP B C 1 ATOM 3284 O O . TRP B 2 92 ? 49.286 -32.559 -18.458 1.00 29.98 ? 421 TRP B O 1 ATOM 3285 C CB . TRP B 2 92 ? 49.889 -33.777 -15.568 1.00 28.93 ? 421 TRP B CB 1 ATOM 3286 C CG . TRP B 2 92 ? 50.777 -34.896 -15.153 1.00 31.54 ? 421 TRP B CG 1 ATOM 3287 C CD1 . TRP B 2 92 ? 51.205 -35.174 -13.891 1.00 30.79 ? 421 TRP B CD1 1 ATOM 3288 C CD2 . TRP B 2 92 ? 51.376 -35.880 -16.009 1.00 31.35 ? 421 TRP B CD2 1 ATOM 3289 N NE1 . TRP B 2 92 ? 52.025 -36.277 -13.903 1.00 28.95 ? 421 TRP B NE1 1 ATOM 3290 C CE2 . TRP B 2 92 ? 52.147 -36.729 -15.190 1.00 31.79 ? 421 TRP B CE2 1 ATOM 3291 C CE3 . TRP B 2 92 ? 51.336 -36.123 -17.389 1.00 32.38 ? 421 TRP B CE3 1 ATOM 3292 C CZ2 . TRP B 2 92 ? 52.871 -37.804 -15.699 1.00 27.53 ? 421 TRP B CZ2 1 ATOM 3293 C CZ3 . TRP B 2 92 ? 52.048 -37.192 -17.894 1.00 31.13 ? 421 TRP B CZ3 1 ATOM 3294 C CH2 . TRP B 2 92 ? 52.803 -38.025 -17.048 1.00 33.27 ? 421 TRP B CH2 1 ATOM 3295 N N . THR B 2 93 ? 49.149 -30.904 -16.927 1.00 29.92 ? 422 THR B N 1 ATOM 3296 C CA . THR B 2 93 ? 48.298 -30.056 -17.753 1.00 27.86 ? 422 THR B CA 1 ATOM 3297 C C . THR B 2 93 ? 49.090 -29.554 -18.955 1.00 33.80 ? 422 THR B C 1 ATOM 3298 O O . THR B 2 93 ? 48.610 -29.568 -20.097 1.00 34.48 ? 422 THR B O 1 ATOM 3299 C CB . THR B 2 93 ? 47.756 -28.862 -16.962 1.00 30.76 ? 422 THR B CB 1 ATOM 3300 O OG1 . THR B 2 93 ? 47.029 -29.334 -15.819 1.00 31.49 ? 422 THR B OG1 1 ATOM 3301 C CG2 . THR B 2 93 ? 46.852 -28.023 -17.826 1.00 26.47 ? 422 THR B CG2 1 ATOM 3302 N N . TYR B 2 94 ? 50.318 -29.116 -18.686 1.00 38.40 ? 423 TYR B N 1 ATOM 3303 C CA . TYR B 2 94 ? 51.227 -28.656 -19.731 1.00 30.86 ? 423 TYR B CA 1 ATOM 3304 C C . TYR B 2 94 ? 51.472 -29.776 -20.732 1.00 35.44 ? 423 TYR B C 1 ATOM 3305 O O . TYR B 2 94 ? 51.334 -29.578 -21.934 1.00 35.67 ? 423 TYR B O 1 ATOM 3306 C CB . TYR B 2 94 ? 52.553 -28.172 -19.128 1.00 30.93 ? 423 TYR B CB 1 ATOM 3307 C CG . TYR B 2 94 ? 53.633 -28.050 -20.161 1.00 34.98 ? 423 TYR B CG 1 ATOM 3308 C CD1 . TYR B 2 94 ? 53.711 -26.931 -20.981 1.00 35.40 ? 423 TYR B CD1 1 ATOM 3309 C CD2 . TYR B 2 94 ? 54.556 -29.073 -20.349 1.00 35.78 ? 423 TYR B CD2 1 ATOM 3310 C CE1 . TYR B 2 94 ? 54.685 -26.827 -21.952 1.00 35.86 ? 423 TYR B CE1 1 ATOM 3311 C CE2 . TYR B 2 94 ? 55.528 -28.981 -21.314 1.00 37.61 ? 423 TYR B CE2 1 ATOM 3312 C CZ . TYR B 2 94 ? 55.586 -27.858 -22.116 1.00 38.12 ? 423 TYR B CZ 1 ATOM 3313 O OH . TYR B 2 94 ? 56.557 -27.770 -23.081 1.00 48.33 ? 423 TYR B OH 1 ATOM 3314 N N . ASN B 2 95 ? 51.819 -30.958 -20.234 1.00 32.93 ? 424 ASN B N 1 ATOM 3315 C CA . ASN B 2 95 ? 52.079 -32.107 -21.096 1.00 31.00 ? 424 ASN B CA 1 ATOM 3316 C C . ASN B 2 95 ? 50.905 -32.494 -21.982 1.00 32.20 ? 424 ASN B C 1 ATOM 3317 O O . ASN B 2 95 ? 51.082 -32.767 -23.164 1.00 38.19 ? 424 ASN B O 1 ATOM 3318 C CB . ASN B 2 95 ? 52.476 -33.327 -20.268 1.00 28.08 ? 424 ASN B CB 1 ATOM 3319 C CG . ASN B 2 95 ? 53.856 -33.208 -19.690 1.00 28.29 ? 424 ASN B CG 1 ATOM 3320 O OD1 . ASN B 2 95 ? 54.709 -32.532 -20.244 1.00 37.49 ? 424 ASN B OD1 1 ATOM 3321 N ND2 . ASN B 2 95 ? 54.083 -33.858 -18.560 1.00 33.84 ? 424 ASN B ND2 1 ATOM 3322 N N . ALA B 2 96 ? 49.714 -32.545 -21.406 1.00 31.29 ? 425 ALA B N 1 ATOM 3323 C CA . ALA B 2 96 ? 48.535 -32.940 -22.154 1.00 29.87 ? 425 ALA B CA 1 ATOM 3324 C C . ALA B 2 96 ? 48.170 -31.881 -23.201 1.00 31.99 ? 425 ALA B C 1 ATOM 3325 O O . ALA B 2 96 ? 47.917 -32.213 -24.352 1.00 35.21 ? 425 ALA B O 1 ATOM 3326 C CB . ALA B 2 96 ? 47.370 -33.190 -21.208 1.00 26.05 ? 425 ALA B CB 1 ATOM 3327 N N . GLU B 2 97 ? 48.160 -30.609 -22.807 1.00 35.24 ? 426 GLU B N 1 ATOM 3328 C CA . GLU B 2 97 ? 47.711 -29.545 -23.703 1.00 36.92 ? 426 GLU B CA 1 ATOM 3329 C C . GLU B 2 97 ? 48.712 -29.310 -24.821 1.00 39.33 ? 426 GLU B C 1 ATOM 3330 O O . GLU B 2 97 ? 48.335 -29.060 -25.971 1.00 42.80 ? 426 GLU B O 1 ATOM 3331 C CB . GLU B 2 97 ? 47.466 -28.246 -22.926 1.00 39.23 ? 426 GLU B CB 1 ATOM 3332 C CG . GLU B 2 97 ? 46.190 -28.276 -22.082 1.00 39.30 ? 426 GLU B CG 1 ATOM 3333 C CD . GLU B 2 97 ? 45.924 -26.968 -21.338 1.00 49.67 ? 426 GLU B CD 1 ATOM 3334 O OE1 . GLU B 2 97 ? 46.524 -25.928 -21.689 1.00 53.45 ? 426 GLU B OE1 1 ATOM 3335 O OE2 . GLU B 2 97 ? 45.095 -26.976 -20.402 1.00 46.67 ? 426 GLU B OE2 1 ATOM 3336 N N . LEU B 2 98 ? 49.991 -29.410 -24.491 1.00 36.87 ? 427 LEU B N 1 ATOM 3337 C CA . LEU B 2 98 ? 51.033 -29.213 -25.484 1.00 33.86 ? 427 LEU B CA 1 ATOM 3338 C C . LEU B 2 98 ? 51.080 -30.395 -26.440 1.00 35.23 ? 427 LEU B C 1 ATOM 3339 O O . LEU B 2 98 ? 51.253 -30.214 -27.644 1.00 39.58 ? 427 LEU B O 1 ATOM 3340 C CB . LEU B 2 98 ? 52.387 -29.002 -24.801 1.00 40.20 ? 427 LEU B CB 1 ATOM 3341 C CG . LEU B 2 98 ? 53.585 -28.440 -25.580 1.00 44.82 ? 427 LEU B CG 1 ATOM 3342 C CD1 . LEU B 2 98 ? 54.376 -29.555 -26.263 1.00 40.55 ? 427 LEU B CD1 1 ATOM 3343 C CD2 . LEU B 2 98 ? 53.156 -27.372 -26.580 1.00 37.52 ? 427 LEU B CD2 1 ATOM 3344 N N . LEU B 2 99 ? 50.913 -31.605 -25.917 1.00 34.92 ? 428 LEU B N 1 ATOM 3345 C CA . LEU B 2 99 ? 50.938 -32.787 -26.771 1.00 33.07 ? 428 LEU B CA 1 ATOM 3346 C C . LEU B 2 99 ? 49.798 -32.755 -27.795 1.00 40.58 ? 428 LEU B C 1 ATOM 3347 O O . LEU B 2 99 ? 49.988 -33.091 -28.967 1.00 38.11 ? 428 LEU B O 1 ATOM 3348 C CB . LEU B 2 99 ? 50.843 -34.061 -25.947 1.00 30.57 ? 428 LEU B CB 1 ATOM 3349 C CG . LEU B 2 99 ? 50.890 -35.326 -26.806 1.00 37.87 ? 428 LEU B CG 1 ATOM 3350 C CD1 . LEU B 2 99 ? 52.183 -35.380 -27.648 1.00 32.87 ? 428 LEU B CD1 1 ATOM 3351 C CD2 . LEU B 2 99 ? 50.730 -36.574 -25.958 1.00 33.46 ? 428 LEU B CD2 1 ATOM 3352 N N . VAL B 2 100 ? 48.615 -32.341 -27.349 1.00 37.39 ? 429 VAL B N 1 ATOM 3353 C CA . VAL B 2 100 ? 47.451 -32.301 -28.223 1.00 37.02 ? 429 VAL B CA 1 ATOM 3354 C C . VAL B 2 100 ? 47.640 -31.278 -29.359 1.00 35.47 ? 429 VAL B C 1 ATOM 3355 O O . VAL B 2 100 ? 47.268 -31.553 -30.497 1.00 32.28 ? 429 VAL B O 1 ATOM 3356 C CB . VAL B 2 100 ? 46.157 -32.001 -27.412 1.00 35.47 ? 429 VAL B CB 1 ATOM 3357 C CG1 . VAL B 2 100 ? 45.012 -31.612 -28.323 1.00 35.20 ? 429 VAL B CG1 1 ATOM 3358 C CG2 . VAL B 2 100 ? 45.768 -33.210 -26.595 1.00 33.98 ? 429 VAL B CG2 1 ATOM 3359 N N . LEU B 2 101 ? 48.229 -30.118 -29.056 1.00 32.48 ? 430 LEU B N 1 ATOM 3360 C CA . LEU B 2 101 ? 48.449 -29.088 -30.075 1.00 30.98 ? 430 LEU B CA 1 ATOM 3361 C C . LEU B 2 101 ? 49.477 -29.555 -31.089 1.00 31.11 ? 430 LEU B C 1 ATOM 3362 O O . LEU B 2 101 ? 49.337 -29.332 -32.293 1.00 30.27 ? 430 LEU B O 1 ATOM 3363 C CB . LEU B 2 101 ? 48.909 -27.765 -29.454 1.00 28.74 ? 430 LEU B CB 1 ATOM 3364 C CG . LEU B 2 101 ? 47.903 -26.977 -28.607 1.00 35.02 ? 430 LEU B CG 1 ATOM 3365 C CD1 . LEU B 2 101 ? 48.519 -25.684 -28.036 1.00 26.17 ? 430 LEU B CD1 1 ATOM 3366 C CD2 . LEU B 2 101 ? 46.632 -26.682 -29.396 1.00 26.93 ? 430 LEU B CD2 1 ATOM 3367 N N . LEU B 2 102 ? 50.517 -30.206 -30.587 1.00 37.29 ? 431 LEU B N 1 ATOM 3368 C CA . LEU B 2 102 ? 51.594 -30.678 -31.434 1.00 33.97 ? 431 LEU B CA 1 ATOM 3369 C C . LEU B 2 102 ? 51.123 -31.849 -32.301 1.00 34.24 ? 431 LEU B C 1 ATOM 3370 O O . LEU B 2 102 ? 51.393 -31.887 -33.495 1.00 39.45 ? 431 LEU B O 1 ATOM 3371 C CB . LEU B 2 102 ? 52.806 -31.074 -30.586 1.00 35.78 ? 431 LEU B CB 1 ATOM 3372 C CG . LEU B 2 102 ? 53.928 -31.811 -31.317 1.00 42.51 ? 431 LEU B CG 1 ATOM 3373 C CD1 . LEU B 2 102 ? 54.521 -30.954 -32.448 1.00 41.14 ? 431 LEU B CD1 1 ATOM 3374 C CD2 . LEU B 2 102 ? 54.997 -32.239 -30.337 1.00 39.37 ? 431 LEU B CD2 1 ATOM 3375 N N . GLU B 2 103 ? 50.398 -32.787 -31.707 1.00 36.01 ? 432 GLU B N 1 ATOM 3376 C CA . GLU B 2 103 ? 49.951 -33.953 -32.443 1.00 34.70 ? 432 GLU B CA 1 ATOM 3377 C C . GLU B 2 103 ? 48.880 -33.597 -33.472 1.00 37.80 ? 432 GLU B C 1 ATOM 3378 O O . GLU B 2 103 ? 48.835 -34.204 -34.547 1.00 40.11 ? 432 GLU B O 1 ATOM 3379 C CB . GLU B 2 103 ? 49.450 -35.027 -31.486 1.00 31.49 ? 432 GLU B CB 1 ATOM 3380 C CG . GLU B 2 103 ? 50.578 -35.852 -30.908 1.00 36.59 ? 432 GLU B CG 1 ATOM 3381 C CD . GLU B 2 103 ? 51.733 -36.054 -31.905 1.00 50.40 ? 432 GLU B CD 1 ATOM 3382 O OE1 . GLU B 2 103 ? 51.535 -36.716 -32.953 1.00 56.53 ? 432 GLU B OE1 1 ATOM 3383 O OE2 . GLU B 2 103 ? 52.848 -35.550 -31.648 1.00 54.18 ? 432 GLU B OE2 1 ATOM 3384 N N . ASN B 2 104 ? 48.043 -32.605 -33.171 1.00 30.84 ? 433 ASN B N 1 ATOM 3385 C CA . ASN B 2 104 ? 47.028 -32.169 -34.129 1.00 33.34 ? 433 ASN B CA 1 ATOM 3386 C C . ASN B 2 104 ? 47.666 -31.607 -35.386 1.00 36.15 ? 433 ASN B C 1 ATOM 3387 O O . ASN B 2 104 ? 47.221 -31.894 -36.500 1.00 37.98 ? 433 ASN B O 1 ATOM 3388 C CB . ASN B 2 104 ? 46.090 -31.127 -33.519 1.00 31.77 ? 433 ASN B CB 1 ATOM 3389 C CG . ASN B 2 104 ? 45.076 -31.741 -32.566 1.00 34.80 ? 433 ASN B CG 1 ATOM 3390 O OD1 . ASN B 2 104 ? 44.879 -32.956 -32.543 1.00 34.31 ? 433 ASN B OD1 1 ATOM 3391 N ND2 . ASN B 2 104 ? 44.429 -30.899 -31.776 1.00 31.77 ? 433 ASN B ND2 1 ATOM 3392 N N . GLU B 2 105 ? 48.717 -30.816 -35.205 1.00 33.78 ? 434 GLU B N 1 ATOM 3393 C CA . GLU B 2 105 ? 49.390 -30.197 -36.329 1.00 39.75 ? 434 GLU B CA 1 ATOM 3394 C C . GLU B 2 105 ? 50.004 -31.255 -37.252 1.00 41.48 ? 434 GLU B C 1 ATOM 3395 O O . GLU B 2 105 ? 49.960 -31.136 -38.486 1.00 35.60 ? 434 GLU B O 1 ATOM 3396 C CB . GLU B 2 105 ? 50.466 -29.237 -35.841 1.00 38.49 ? 434 GLU B CB 1 ATOM 3397 C CG . GLU B 2 105 ? 51.291 -28.641 -36.962 1.00 40.13 ? 434 GLU B CG 1 ATOM 3398 C CD . GLU B 2 105 ? 52.449 -27.824 -36.437 1.00 56.43 ? 434 GLU B CD 1 ATOM 3399 O OE1 . GLU B 2 105 ? 52.345 -27.323 -35.293 1.00 54.38 ? 434 GLU B OE1 1 ATOM 3400 O OE2 . GLU B 2 105 ? 53.473 -27.703 -37.156 1.00 58.39 ? 434 GLU B OE2 1 ATOM 3401 N N . ARG B 2 106 ? 50.557 -32.294 -36.639 1.00 30.32 ? 435 ARG B N 1 ATOM 3402 C CA . ARG B 2 106 ? 51.257 -33.324 -37.378 1.00 32.38 ? 435 ARG B CA 1 ATOM 3403 C C . ARG B 2 106 ? 50.271 -34.308 -37.993 1.00 33.40 ? 435 ARG B C 1 ATOM 3404 O O . ARG B 2 106 ? 50.528 -34.863 -39.052 1.00 33.49 ? 435 ARG B O 1 ATOM 3405 C CB . ARG B 2 106 ? 52.249 -34.046 -36.469 1.00 31.75 ? 435 ARG B CB 1 ATOM 3406 C CG . ARG B 2 106 ? 53.253 -33.109 -35.810 1.00 38.23 ? 435 ARG B CG 1 ATOM 3407 C CD . ARG B 2 106 ? 54.239 -33.871 -34.945 1.00 39.56 ? 435 ARG B CD 1 ATOM 3408 N NE . ARG B 2 106 ? 54.980 -34.794 -35.783 1.00 54.79 ? 435 ARG B NE 1 ATOM 3409 C CZ . ARG B 2 106 ? 54.829 -36.111 -35.771 1.00 52.73 ? 435 ARG B CZ 1 ATOM 3410 N NH1 . ARG B 2 106 ? 53.974 -36.691 -34.923 1.00 42.80 ? 435 ARG B NH1 1 ATOM 3411 N NH2 . ARG B 2 106 ? 55.551 -36.840 -36.613 1.00 44.03 ? 435 ARG B NH2 1 ATOM 3412 N N . THR B 2 107 ? 49.138 -34.518 -37.331 1.00 36.22 ? 436 THR B N 1 ATOM 3413 C CA . THR B 2 107 ? 48.108 -35.395 -37.872 1.00 34.43 ? 436 THR B CA 1 ATOM 3414 C C . THR B 2 107 ? 47.524 -34.813 -39.168 1.00 34.99 ? 436 THR B C 1 ATOM 3415 O O . THR B 2 107 ? 47.405 -35.513 -40.171 1.00 34.00 ? 436 THR B O 1 ATOM 3416 C CB . THR B 2 107 ? 47.000 -35.641 -36.830 1.00 36.48 ? 436 THR B CB 1 ATOM 3417 O OG1 . THR B 2 107 ? 47.481 -36.577 -35.860 1.00 36.23 ? 436 THR B OG1 1 ATOM 3418 C CG2 . THR B 2 107 ? 45.739 -36.204 -37.460 1.00 31.60 ? 436 THR B CG2 1 ATOM 3419 N N . LEU B 2 108 ? 47.192 -33.528 -39.157 1.00 34.09 ? 437 LEU B N 1 ATOM 3420 C CA . LEU B 2 108 ? 46.676 -32.872 -40.353 1.00 35.11 ? 437 LEU B CA 1 ATOM 3421 C C . LEU B 2 108 ? 47.707 -32.911 -41.478 1.00 36.96 ? 437 LEU B C 1 ATOM 3422 O O . LEU B 2 108 ? 47.342 -33.137 -42.638 1.00 36.90 ? 437 LEU B O 1 ATOM 3423 C CB . LEU B 2 108 ? 46.256 -31.429 -40.043 1.00 31.37 ? 437 LEU B CB 1 ATOM 3424 C CG . LEU B 2 108 ? 45.115 -31.348 -39.019 1.00 35.85 ? 437 LEU B CG 1 ATOM 3425 C CD1 . LEU B 2 108 ? 44.647 -29.921 -38.756 1.00 34.51 ? 437 LEU B CD1 1 ATOM 3426 C CD2 . LEU B 2 108 ? 43.950 -32.233 -39.447 1.00 31.37 ? 437 LEU B CD2 1 ATOM 3427 N N . ASP B 2 109 ? 48.981 -32.709 -41.128 1.00 35.95 ? 438 ASP B N 1 ATOM 3428 C CA . ASP B 2 109 ? 50.097 -32.818 -42.080 1.00 35.81 ? 438 ASP B CA 1 ATOM 3429 C C . ASP B 2 109 ? 50.200 -34.203 -42.705 1.00 35.19 ? 438 ASP B C 1 ATOM 3430 O O . ASP B 2 109 ? 50.493 -34.340 -43.883 1.00 34.40 ? 438 ASP B O 1 ATOM 3431 C CB . ASP B 2 109 ? 51.435 -32.500 -41.401 1.00 39.05 ? 438 ASP B CB 1 ATOM 3432 C CG . ASP B 2 109 ? 51.694 -31.001 -41.255 1.00 47.78 ? 438 ASP B CG 1 ATOM 3433 O OD1 . ASP B 2 109 ? 51.052 -30.202 -41.975 1.00 50.85 ? 438 ASP B OD1 1 ATOM 3434 O OD2 . ASP B 2 109 ? 52.556 -30.628 -40.417 1.00 50.83 ? 438 ASP B OD2 1 ATOM 3435 N N . LEU B 2 110 ? 49.994 -35.232 -41.894 1.00 33.21 ? 439 LEU B N 1 ATOM 3436 C CA . LEU B 2 110 ? 50.053 -36.606 -42.371 1.00 35.07 ? 439 LEU B CA 1 ATOM 3437 C C . LEU B 2 110 ? 49.012 -36.870 -43.472 1.00 35.26 ? 439 LEU B C 1 ATOM 3438 O O . LEU B 2 110 ? 49.334 -37.449 -44.515 1.00 34.52 ? 439 LEU B O 1 ATOM 3439 C CB . LEU B 2 110 ? 49.854 -37.579 -41.206 1.00 35.22 ? 439 LEU B CB 1 ATOM 3440 C CG . LEU B 2 110 ? 49.561 -39.028 -41.594 1.00 37.91 ? 439 LEU B CG 1 ATOM 3441 C CD1 . LEU B 2 110 ? 50.777 -39.650 -42.267 1.00 43.91 ? 439 LEU B CD1 1 ATOM 3442 C CD2 . LEU B 2 110 ? 49.166 -39.832 -40.386 1.00 37.34 ? 439 LEU B CD2 1 ATOM 3443 N N . HIS B 2 111 ? 47.773 -36.445 -43.228 1.00 30.43 ? 440 HIS B N 1 ATOM 3444 C CA . HIS B 2 111 ? 46.689 -36.552 -44.210 1.00 31.86 ? 440 HIS B CA 1 ATOM 3445 C C . HIS B 2 111 ? 47.019 -35.813 -45.499 1.00 31.68 ? 440 HIS B C 1 ATOM 3446 O O . HIS B 2 111 ? 46.798 -36.318 -46.601 1.00 29.98 ? 440 HIS B O 1 ATOM 3447 C CB . HIS B 2 111 ? 45.385 -35.991 -43.642 1.00 31.50 ? 440 HIS B CB 1 ATOM 3448 C CG . HIS B 2 111 ? 44.769 -36.836 -42.577 1.00 27.13 ? 440 HIS B CG 1 ATOM 3449 N ND1 . HIS B 2 111 ? 44.509 -38.180 -42.747 1.00 30.39 ? 440 HIS B ND1 1 ATOM 3450 C CD2 . HIS B 2 111 ? 44.353 -36.532 -41.327 1.00 28.70 ? 440 HIS B CD2 1 ATOM 3451 C CE1 . HIS B 2 111 ? 43.960 -38.662 -41.652 1.00 29.82 ? 440 HIS B CE1 1 ATOM 3452 N NE2 . HIS B 2 111 ? 43.856 -37.681 -40.772 1.00 31.67 ? 440 HIS B NE2 1 ATOM 3453 N N . ASP B 2 112 ? 47.530 -34.600 -45.333 1.00 29.58 ? 441 ASP B N 1 ATOM 3454 C CA . ASP B 2 112 ? 47.988 -33.772 -46.437 1.00 29.39 ? 441 ASP B CA 1 ATOM 3455 C C . ASP B 2 112 ? 49.070 -34.487 -47.259 1.00 31.45 ? 441 ASP B C 1 ATOM 3456 O O . ASP B 2 112 ? 49.015 -34.509 -48.487 1.00 34.97 ? 441 ASP B O 1 ATOM 3457 C CB . ASP B 2 112 ? 48.498 -32.437 -45.889 1.00 28.45 ? 441 ASP B CB 1 ATOM 3458 C CG . ASP B 2 112 ? 48.705 -31.400 -46.966 1.00 38.21 ? 441 ASP B CG 1 ATOM 3459 O OD1 . ASP B 2 112 ? 48.250 -31.617 -48.117 1.00 37.16 ? 441 ASP B OD1 1 ATOM 3460 O OD2 . ASP B 2 112 ? 49.313 -30.354 -46.656 1.00 40.90 ? 441 ASP B OD2 1 ATOM 3461 N N . ALA B 2 113 ? 50.037 -35.088 -46.580 1.00 26.72 ? 442 ALA B N 1 ATOM 3462 C CA . ALA B 2 113 ? 51.064 -35.861 -47.263 1.00 30.76 ? 442 ALA B CA 1 ATOM 3463 C C . ALA B 2 113 ? 50.452 -37.027 -48.023 1.00 30.36 ? 442 ALA B C 1 ATOM 3464 O O . ALA B 2 113 ? 50.861 -37.315 -49.147 1.00 32.12 ? 442 ALA B O 1 ATOM 3465 C CB . ALA B 2 113 ? 52.120 -36.374 -46.270 1.00 25.63 ? 442 ALA B CB 1 ATOM 3466 N N . ASN B 2 114 ? 49.481 -37.700 -47.409 1.00 33.33 ? 443 ASN B N 1 ATOM 3467 C CA . ASN B 2 114 ? 48.870 -38.886 -48.008 1.00 34.50 ? 443 ASN B CA 1 ATOM 3468 C C . ASN B 2 114 ? 48.080 -38.596 -49.299 1.00 35.08 ? 443 ASN B C 1 ATOM 3469 O O . ASN B 2 114 ? 48.124 -39.380 -50.243 1.00 34.19 ? 443 ASN B O 1 ATOM 3470 C CB . ASN B 2 114 ? 47.971 -39.576 -46.991 1.00 30.46 ? 443 ASN B CB 1 ATOM 3471 C CG . ASN B 2 114 ? 48.761 -40.294 -45.920 1.00 34.76 ? 443 ASN B CG 1 ATOM 3472 O OD1 . ASN B 2 114 ? 49.907 -40.672 -46.145 1.00 33.81 ? 443 ASN B OD1 1 ATOM 3473 N ND2 . ASN B 2 114 ? 48.153 -40.493 -44.748 1.00 33.78 ? 443 ASN B ND2 1 ATOM 3474 N N . VAL B 2 115 ? 47.372 -37.471 -49.334 1.00 29.36 ? 444 VAL B N 1 ATOM 3475 C CA . VAL B 2 115 ? 46.672 -37.046 -50.537 1.00 32.06 ? 444 VAL B CA 1 ATOM 3476 C C . VAL B 2 115 ? 47.690 -36.720 -51.622 1.00 35.39 ? 444 VAL B C 1 ATOM 3477 O O . VAL B 2 115 ? 47.541 -37.130 -52.770 1.00 35.95 ? 444 VAL B O 1 ATOM 3478 C CB . VAL B 2 115 ? 45.766 -35.818 -50.266 1.00 30.08 ? 444 VAL B CB 1 ATOM 3479 C CG1 . VAL B 2 115 ? 45.249 -35.225 -51.564 1.00 28.23 ? 444 VAL B CG1 1 ATOM 3480 C CG2 . VAL B 2 115 ? 44.614 -36.199 -49.349 1.00 23.75 ? 444 VAL B CG2 1 ATOM 3481 N N . LYS B 2 116 ? 48.732 -35.985 -51.244 1.00 36.26 ? 445 LYS B N 1 ATOM 3482 C CA . LYS B 2 116 ? 49.820 -35.655 -52.156 1.00 34.00 ? 445 LYS B CA 1 ATOM 3483 C C . LYS B 2 116 ? 50.450 -36.908 -52.776 1.00 37.07 ? 445 LYS B C 1 ATOM 3484 O O . LYS B 2 116 ? 50.604 -36.975 -53.991 1.00 38.21 ? 445 LYS B O 1 ATOM 3485 C CB . LYS B 2 116 ? 50.880 -34.828 -51.426 1.00 33.54 ? 445 LYS B CB 1 ATOM 3486 C CG . LYS B 2 116 ? 52.100 -34.455 -52.240 1.00 36.49 ? 445 LYS B CG 1 ATOM 3487 C CD . LYS B 2 116 ? 51.733 -33.574 -53.437 1.00 49.25 ? 445 LYS B CD 1 ATOM 3488 C CE . LYS B 2 116 ? 52.977 -32.942 -54.061 1.00 50.09 ? 445 LYS B CE 1 ATOM 3489 N NZ . LYS B 2 116 ? 53.471 -31.826 -53.200 1.00 57.98 ? 445 LYS B NZ 1 ATOM 3490 N N . ASN B 2 117 ? 50.800 -37.903 -51.959 1.00 37.98 ? 446 ASN B N 1 ATOM 3491 C CA . ASN B 2 117 ? 51.450 -39.104 -52.494 1.00 40.29 ? 446 ASN B CA 1 ATOM 3492 C C . ASN B 2 117 ? 50.512 -39.910 -53.388 1.00 40.42 ? 446 ASN B C 1 ATOM 3493 O O . ASN B 2 117 ? 50.948 -40.543 -54.350 1.00 42.29 ? 446 ASN B O 1 ATOM 3494 C CB . ASN B 2 117 ? 51.994 -39.989 -51.364 1.00 34.00 ? 446 ASN B CB 1 ATOM 3495 C CG . ASN B 2 117 ? 52.999 -39.246 -50.481 1.00 44.19 ? 446 ASN B CG 1 ATOM 3496 O OD1 . ASN B 2 117 ? 53.737 -38.396 -50.966 1.00 50.17 ? 446 ASN B OD1 1 ATOM 3497 N ND2 . ASN B 2 117 ? 53.009 -39.547 -49.180 1.00 46.10 ? 446 ASN B ND2 1 ATOM 3498 N N . LEU B 2 118 ? 49.224 -39.877 -53.072 1.00 35.98 ? 447 LEU B N 1 ATOM 3499 C CA . LEU B 2 118 ? 48.232 -40.593 -53.863 1.00 36.72 ? 447 LEU B CA 1 ATOM 3500 C C . LEU B 2 118 ? 48.133 -39.968 -55.252 1.00 41.32 ? 447 LEU B C 1 ATOM 3501 O O . LEU B 2 118 ? 48.152 -40.663 -56.270 1.00 41.70 ? 447 LEU B O 1 ATOM 3502 C CB . LEU B 2 118 ? 46.876 -40.573 -53.168 1.00 36.31 ? 447 LEU B CB 1 ATOM 3503 C CG . LEU B 2 118 ? 45.785 -41.356 -53.888 1.00 42.20 ? 447 LEU B CG 1 ATOM 3504 C CD1 . LEU B 2 118 ? 46.179 -42.823 -53.931 1.00 40.75 ? 447 LEU B CD1 1 ATOM 3505 C CD2 . LEU B 2 118 ? 44.448 -41.160 -53.178 1.00 39.25 ? 447 LEU B CD2 1 ATOM 3506 N N . TYR B 2 119 ? 48.037 -38.645 -55.270 1.00 33.79 ? 448 TYR B N 1 ATOM 3507 C CA . TYR B 2 119 ? 48.120 -37.870 -56.491 1.00 32.73 ? 448 TYR B CA 1 ATOM 3508 C C . TYR B 2 119 ? 49.397 -38.166 -57.300 1.00 38.29 ? 448 TYR B C 1 ATOM 3509 O O . TYR B 2 119 ? 49.351 -38.265 -58.522 1.00 39.18 ? 448 TYR B O 1 ATOM 3510 C CB . TYR B 2 119 ? 48.036 -36.379 -56.153 1.00 29.67 ? 448 TYR B CB 1 ATOM 3511 C CG . TYR B 2 119 ? 48.530 -35.483 -57.261 1.00 38.48 ? 448 TYR B CG 1 ATOM 3512 C CD1 . TYR B 2 119 ? 47.738 -35.220 -58.367 1.00 38.38 ? 448 TYR B CD1 1 ATOM 3513 C CD2 . TYR B 2 119 ? 49.792 -34.899 -57.201 1.00 41.45 ? 448 TYR B CD2 1 ATOM 3514 C CE1 . TYR B 2 119 ? 48.183 -34.403 -59.381 1.00 40.95 ? 448 TYR B CE1 1 ATOM 3515 C CE2 . TYR B 2 119 ? 50.246 -34.079 -58.209 1.00 41.40 ? 448 TYR B CE2 1 ATOM 3516 C CZ . TYR B 2 119 ? 49.436 -33.839 -59.300 1.00 45.51 ? 448 TYR B CZ 1 ATOM 3517 O OH . TYR B 2 119 ? 49.882 -33.030 -60.315 1.00 48.12 ? 448 TYR B OH 1 ATOM 3518 N N . GLU B 2 120 ? 50.534 -38.298 -56.626 1.00 39.51 ? 449 GLU B N 1 ATOM 3519 C CA . GLU B 2 120 ? 51.788 -38.581 -57.315 1.00 37.91 ? 449 GLU B CA 1 ATOM 3520 C C . GLU B 2 120 ? 51.798 -39.984 -57.910 1.00 38.18 ? 449 GLU B C 1 ATOM 3521 O O . GLU B 2 120 ? 52.343 -40.195 -58.991 1.00 40.34 ? 449 GLU B O 1 ATOM 3522 C CB . GLU B 2 120 ? 52.986 -38.416 -56.369 1.00 39.21 ? 449 GLU B CB 1 ATOM 3523 C CG . GLU B 2 120 ? 53.182 -37.010 -55.845 1.00 44.56 ? 449 GLU B CG 1 ATOM 3524 C CD . GLU B 2 120 ? 53.689 -36.063 -56.902 1.00 54.65 ? 449 GLU B CD 1 ATOM 3525 O OE1 . GLU B 2 120 ? 54.065 -36.531 -58.000 1.00 64.17 ? 449 GLU B OE1 1 ATOM 3526 O OE2 . GLU B 2 120 ? 53.696 -34.841 -56.643 1.00 63.11 ? 449 GLU B OE2 1 ATOM 3527 N N . LYS B 2 121 ? 51.219 -40.937 -57.185 1.00 38.39 ? 450 LYS B N 1 ATOM 3528 C CA . LYS B 2 121 ? 51.146 -42.325 -57.625 1.00 42.62 ? 450 LYS B CA 1 ATOM 3529 C C . LYS B 2 121 ? 50.411 -42.415 -58.954 1.00 45.19 ? 450 LYS B C 1 ATOM 3530 O O . LYS B 2 121 ? 50.794 -43.176 -59.842 1.00 47.43 ? 450 LYS B O 1 ATOM 3531 C CB . LYS B 2 121 ? 50.440 -43.200 -56.580 1.00 44.70 ? 450 LYS B CB 1 ATOM 3532 C CG . LYS B 2 121 ? 51.360 -44.011 -55.678 1.00 50.54 ? 450 LYS B CG 1 ATOM 3533 C CD . LYS B 2 121 ? 50.569 -44.827 -54.642 1.00 63.73 ? 450 LYS B CD 1 ATOM 3534 C CE . LYS B 2 121 ? 50.243 -46.246 -55.121 1.00 72.94 ? 450 LYS B CE 1 ATOM 3535 N NZ . LYS B 2 121 ? 49.183 -46.306 -56.185 1.00 74.59 ? 450 LYS B NZ 1 ATOM 3536 N N . VAL B 2 122 ? 49.356 -41.622 -59.088 1.00 36.44 ? 451 VAL B N 1 ATOM 3537 C CA . VAL B 2 122 ? 48.551 -41.636 -60.299 1.00 42.36 ? 451 VAL B CA 1 ATOM 3538 C C . VAL B 2 122 ? 49.254 -40.885 -61.424 1.00 41.70 ? 451 VAL B C 1 ATOM 3539 O O . VAL B 2 122 ? 49.261 -41.349 -62.563 1.00 44.23 ? 451 VAL B O 1 ATOM 3540 C CB . VAL B 2 122 ? 47.145 -41.035 -60.050 1.00 42.89 ? 451 VAL B CB 1 ATOM 3541 C CG1 . VAL B 2 122 ? 46.385 -40.867 -61.356 1.00 36.74 ? 451 VAL B CG1 1 ATOM 3542 C CG2 . VAL B 2 122 ? 46.368 -41.908 -59.077 1.00 36.13 ? 451 VAL B CG2 1 ATOM 3543 N N . LYS B 2 123 ? 49.856 -39.740 -61.100 1.00 44.02 ? 452 LYS B N 1 ATOM 3544 C CA . LYS B 2 123 ? 50.593 -38.959 -62.091 1.00 45.67 ? 452 LYS B CA 1 ATOM 3545 C C . LYS B 2 123 ? 51.713 -39.784 -62.718 1.00 46.96 ? 452 LYS B C 1 ATOM 3546 O O . LYS B 2 123 ? 51.939 -39.736 -63.920 1.00 49.28 ? 452 LYS B O 1 ATOM 3547 C CB . LYS B 2 123 ? 51.182 -37.697 -61.475 1.00 39.74 ? 452 LYS B CB 1 ATOM 3548 C CG . LYS B 2 123 ? 51.747 -36.758 -62.514 1.00 47.11 ? 452 LYS B CG 1 ATOM 3549 C CD . LYS B 2 123 ? 53.129 -36.259 -62.163 1.00 55.83 ? 452 LYS B CD 1 ATOM 3550 C CE . LYS B 2 123 ? 53.064 -35.159 -61.118 1.00 72.12 ? 452 LYS B CE 1 ATOM 3551 N NZ . LYS B 2 123 ? 52.432 -33.930 -61.672 1.00 77.44 ? 452 LYS B NZ 1 ATOM 3552 N N . SER B 2 124 ? 52.396 -40.544 -61.878 1.00 42.09 ? 453 SER B N 1 ATOM 3553 C CA . SER B 2 124 ? 53.520 -41.375 -62.281 1.00 44.10 ? 453 SER B CA 1 ATOM 3554 C C . SER B 2 124 ? 53.098 -42.538 -63.181 1.00 47.58 ? 453 SER B C 1 ATOM 3555 O O . SER B 2 124 ? 53.884 -43.035 -63.979 1.00 47.87 ? 453 SER B O 1 ATOM 3556 C CB . SER B 2 124 ? 54.223 -41.905 -61.030 1.00 41.06 ? 453 SER B CB 1 ATOM 3557 O OG . SER B 2 124 ? 55.261 -42.799 -61.369 1.00 54.03 ? 453 SER B OG 1 ATOM 3558 N N . GLN B 2 125 ? 51.854 -42.973 -63.029 1.00 47.30 ? 454 GLN B N 1 ATOM 3559 C CA . GLN B 2 125 ? 51.305 -44.052 -63.837 1.00 48.22 ? 454 GLN B CA 1 ATOM 3560 C C . GLN B 2 125 ? 50.879 -43.597 -65.232 1.00 51.73 ? 454 GLN B C 1 ATOM 3561 O O . GLN B 2 125 ? 51.115 -44.299 -66.218 1.00 54.84 ? 454 GLN B O 1 ATOM 3562 C CB . GLN B 2 125 ? 50.107 -44.678 -63.139 1.00 46.66 ? 454 GLN B CB 1 ATOM 3563 C CG . GLN B 2 125 ? 50.464 -45.746 -62.158 1.00 44.72 ? 454 GLN B CG 1 ATOM 3564 C CD . GLN B 2 125 ? 49.261 -46.560 -61.768 1.00 55.15 ? 454 GLN B CD 1 ATOM 3565 O OE1 . GLN B 2 125 ? 49.213 -47.766 -62.011 1.00 62.46 ? 454 GLN B OE1 1 ATOM 3566 N NE2 . GLN B 2 125 ? 48.275 -45.910 -61.163 1.00 48.26 ? 454 GLN B NE2 1 ATOM 3567 N N . LEU B 2 126 ? 50.251 -42.428 -65.309 1.00 47.83 ? 455 LEU B N 1 ATOM 3568 C CA . LEU B 2 126 ? 49.648 -41.973 -66.557 1.00 53.37 ? 455 LEU B CA 1 ATOM 3569 C C . LEU B 2 126 ? 50.679 -41.371 -67.501 1.00 57.42 ? 455 LEU B C 1 ATOM 3570 O O . LEU B 2 126 ? 50.673 -41.670 -68.692 1.00 63.22 ? 455 LEU B O 1 ATOM 3571 C CB . LEU B 2 126 ? 48.529 -40.964 -66.277 1.00 46.86 ? 455 LEU B CB 1 ATOM 3572 C CG . LEU B 2 126 ? 47.423 -41.490 -65.360 1.00 42.92 ? 455 LEU B CG 1 ATOM 3573 C CD1 . LEU B 2 126 ? 46.229 -40.554 -65.344 1.00 41.68 ? 455 LEU B CD1 1 ATOM 3574 C CD2 . LEU B 2 126 ? 47.009 -42.900 -65.758 1.00 45.39 ? 455 LEU B CD2 1 ATOM 3575 N N . ARG B 2 127 ? 51.578 -40.553 -66.958 1.00 59.62 ? 456 ARG B N 1 ATOM 3576 C CA . ARG B 2 127 ? 52.637 -39.893 -67.727 1.00 59.62 ? 456 ARG B CA 1 ATOM 3577 C C . ARG B 2 127 ? 52.041 -39.115 -68.896 1.00 66.16 ? 456 ARG B C 1 ATOM 3578 O O . ARG B 2 127 ? 51.213 -38.227 -68.690 1.00 64.86 ? 456 ARG B O 1 ATOM 3579 C CB . ARG B 2 127 ? 53.673 -40.910 -68.237 1.00 61.50 ? 456 ARG B CB 1 ATOM 3580 C CG . ARG B 2 127 ? 53.725 -42.225 -67.453 1.00 67.52 ? 456 ARG B CG 1 ATOM 3581 C CD . ARG B 2 127 ? 55.126 -42.604 -67.001 1.00 75.70 ? 456 ARG B CD 1 ATOM 3582 N NE . ARG B 2 127 ? 56.012 -42.894 -68.124 1.00 79.07 ? 456 ARG B NE 1 ATOM 3583 C CZ . ARG B 2 127 ? 57.321 -43.093 -68.006 1.00 78.44 ? 456 ARG B CZ 1 ATOM 3584 N NH1 . ARG B 2 127 ? 57.893 -43.049 -66.811 1.00 76.11 ? 456 ARG B NH1 1 ATOM 3585 N NH2 . ARG B 2 127 ? 58.059 -43.339 -69.081 1.00 78.44 ? 456 ARG B NH2 1 ATOM 3586 N N . ASP B 2 128 ? 52.468 -39.469 -70.113 1.00 75.62 ? 457 ASP B N 1 ATOM 3587 C CA . ASP B 2 128 ? 51.977 -38.882 -71.371 1.00 76.09 ? 457 ASP B CA 1 ATOM 3588 C C . ASP B 2 128 ? 50.482 -39.054 -71.615 1.00 71.12 ? 457 ASP B C 1 ATOM 3589 O O . ASP B 2 128 ? 49.836 -38.184 -72.198 1.00 71.46 ? 457 ASP B O 1 ATOM 3590 C CB . ASP B 2 128 ? 52.696 -39.511 -72.572 1.00 80.28 ? 457 ASP B CB 1 ATOM 3591 C CG . ASP B 2 128 ? 54.092 -38.986 -72.764 1.00 89.91 ? 457 ASP B CG 1 ATOM 3592 O OD1 . ASP B 2 128 ? 54.248 -37.952 -73.454 1.00 90.53 ? 457 ASP B OD1 1 ATOM 3593 O OD2 . ASP B 2 128 ? 55.032 -39.621 -72.237 1.00 95.95 ? 457 ASP B OD2 1 ATOM 3594 N N . ASN B 2 129 ? 49.953 -40.201 -71.201 1.00 56.46 ? 458 ASN B N 1 ATOM 3595 C CA . ASN B 2 129 ? 48.624 -40.631 -71.611 1.00 55.50 ? 458 ASN B CA 1 ATOM 3596 C C . ASN B 2 129 ? 47.478 -39.807 -71.043 1.00 52.37 ? 458 ASN B C 1 ATOM 3597 O O . ASN B 2 129 ? 46.325 -40.031 -71.396 1.00 55.87 ? 458 ASN B O 1 ATOM 3598 C CB . ASN B 2 129 ? 48.428 -42.103 -71.250 1.00 53.42 ? 458 ASN B CB 1 ATOM 3599 C CG . ASN B 2 129 ? 49.200 -43.026 -72.173 1.00 59.10 ? 458 ASN B CG 1 ATOM 3600 O OD1 . ASN B 2 129 ? 49.750 -42.582 -73.174 1.00 61.78 ? 458 ASN B OD1 1 ATOM 3601 N ND2 . ASN B 2 129 ? 49.226 -44.315 -71.855 1.00 65.53 ? 458 ASN B ND2 1 ATOM 3602 N N . ALA B 2 130 ? 47.787 -38.846 -70.181 1.00 55.17 ? 459 ALA B N 1 ATOM 3603 C CA . ALA B 2 130 ? 46.756 -37.961 -69.662 1.00 51.37 ? 459 ALA B CA 1 ATOM 3604 C C . ALA B 2 130 ? 47.294 -36.562 -69.417 1.00 51.81 ? 459 ALA B C 1 ATOM 3605 O O . ALA B 2 130 ? 48.494 -36.364 -69.236 1.00 54.72 ? 459 ALA B O 1 ATOM 3606 C CB . ALA B 2 130 ? 46.156 -38.529 -68.385 1.00 48.90 ? 459 ALA B CB 1 ATOM 3607 N N . ASN B 2 131 ? 46.381 -35.600 -69.426 1.00 50.62 ? 460 ASN B N 1 ATOM 3608 C CA . ASN B 2 131 ? 46.679 -34.204 -69.148 1.00 48.52 ? 460 ASN B CA 1 ATOM 3609 C C . ASN B 2 131 ? 46.409 -33.840 -67.679 1.00 53.61 ? 460 ASN B C 1 ATOM 3610 O O . ASN B 2 131 ? 45.273 -33.910 -67.213 1.00 52.13 ? 460 ASN B O 1 ATOM 3611 C CB . ASN B 2 131 ? 45.849 -33.323 -70.081 1.00 49.32 ? 460 ASN B CB 1 ATOM 3612 C CG . ASN B 2 131 ? 46.041 -31.844 -69.830 1.00 58.03 ? 460 ASN B CG 1 ATOM 3613 O OD1 . ASN B 2 131 ? 47.036 -31.421 -69.247 1.00 62.33 ? 460 ASN B OD1 1 ATOM 3614 N ND2 . ASN B 2 131 ? 45.082 -31.041 -70.285 1.00 60.76 ? 460 ASN B ND2 1 ATOM 3615 N N . ASP B 2 132 ? 47.464 -33.461 -66.961 1.00 62.41 ? 461 ASP B N 1 ATOM 3616 C CA . ASP B 2 132 ? 47.376 -32.995 -65.577 1.00 51.78 ? 461 ASP B CA 1 ATOM 3617 C C . ASP B 2 132 ? 46.777 -31.591 -65.530 1.00 56.28 ? 461 ASP B C 1 ATOM 3618 O O . ASP B 2 132 ? 47.407 -30.637 -65.973 1.00 60.90 ? 461 ASP B O 1 ATOM 3619 C CB . ASP B 2 132 ? 48.772 -33.007 -64.943 1.00 54.07 ? 461 ASP B CB 1 ATOM 3620 C CG . ASP B 2 132 ? 48.761 -32.775 -63.432 1.00 57.83 ? 461 ASP B CG 1 ATOM 3621 O OD1 . ASP B 2 132 ? 47.747 -32.304 -62.861 1.00 53.15 ? 461 ASP B OD1 1 ATOM 3622 O OD2 . ASP B 2 132 ? 49.809 -33.060 -62.812 1.00 55.78 ? 461 ASP B OD2 1 ATOM 3623 N N . LEU B 2 133 ? 45.570 -31.462 -64.985 1.00 54.04 ? 462 LEU B N 1 ATOM 3624 C CA . LEU B 2 133 ? 44.859 -30.180 -64.976 1.00 51.55 ? 462 LEU B CA 1 ATOM 3625 C C . LEU B 2 133 ? 45.299 -29.230 -63.859 1.00 54.86 ? 462 LEU B C 1 ATOM 3626 O O . LEU B 2 133 ? 44.876 -28.074 -63.831 1.00 56.42 ? 462 LEU B O 1 ATOM 3627 C CB . LEU B 2 133 ? 43.353 -30.416 -64.865 1.00 52.17 ? 462 LEU B CB 1 ATOM 3628 C CG . LEU B 2 133 ? 42.666 -31.178 -66.006 1.00 61.98 ? 462 LEU B CG 1 ATOM 3629 C CD1 . LEU B 2 133 ? 41.213 -31.476 -65.665 1.00 56.59 ? 462 LEU B CD1 1 ATOM 3630 C CD2 . LEU B 2 133 ? 42.762 -30.408 -67.319 1.00 60.48 ? 462 LEU B CD2 1 ATOM 3631 N N . GLY B 2 134 ? 46.129 -29.716 -62.936 1.00 56.14 ? 463 GLY B N 1 ATOM 3632 C CA . GLY B 2 134 ? 46.631 -28.897 -61.841 1.00 52.55 ? 463 GLY B CA 1 ATOM 3633 C C . GLY B 2 134 ? 45.769 -28.846 -60.583 1.00 57.66 ? 463 GLY B C 1 ATOM 3634 O O . GLY B 2 134 ? 46.110 -28.161 -59.613 1.00 56.74 ? 463 GLY B O 1 ATOM 3635 N N . ASN B 2 135 ? 44.647 -29.561 -60.594 1.00 52.11 ? 464 ASN B N 1 ATOM 3636 C CA . ASN B 2 135 ? 43.729 -29.556 -59.462 1.00 45.80 ? 464 ASN B CA 1 ATOM 3637 C C . ASN B 2 135 ? 43.433 -30.961 -58.959 1.00 42.64 ? 464 ASN B C 1 ATOM 3638 O O . ASN B 2 135 ? 42.419 -31.193 -58.311 1.00 39.66 ? 464 ASN B O 1 ATOM 3639 C CB . ASN B 2 135 ? 42.415 -28.861 -59.830 1.00 45.43 ? 464 ASN B CB 1 ATOM 3640 C CG . ASN B 2 135 ? 41.716 -29.510 -61.014 1.00 53.12 ? 464 ASN B CG 1 ATOM 3641 O OD1 . ASN B 2 135 ? 42.282 -30.365 -61.706 1.00 52.56 ? 464 ASN B OD1 1 ATOM 3642 N ND2 . ASN B 2 135 ? 40.468 -29.125 -61.237 1.00 48.71 ? 464 ASN B ND2 1 ATOM 3643 N N . GLY B 2 136 ? 44.320 -31.895 -59.271 1.00 41.19 ? 465 GLY B N 1 ATOM 3644 C CA . GLY B 2 136 ? 44.121 -33.281 -58.903 1.00 40.00 ? 465 GLY B CA 1 ATOM 3645 C C . GLY B 2 136 ? 43.404 -34.098 -59.970 1.00 43.65 ? 465 GLY B C 1 ATOM 3646 O O . GLY B 2 136 ? 43.227 -35.303 -59.813 1.00 43.69 ? 465 GLY B O 1 ATOM 3647 N N . CYS B 2 137 ? 42.985 -33.456 -61.056 1.00 44.34 ? 466 CYS B N 1 ATOM 3648 C CA . CYS B 2 137 ? 42.278 -34.170 -62.116 1.00 45.73 ? 466 CYS B CA 1 ATOM 3649 C C . CYS B 2 137 ? 43.168 -34.440 -63.335 1.00 47.59 ? 466 CYS B C 1 ATOM 3650 O O . CYS B 2 137 ? 44.002 -33.620 -63.720 1.00 47.57 ? 466 CYS B O 1 ATOM 3651 C CB . CYS B 2 137 ? 41.029 -33.391 -62.542 1.00 48.61 ? 466 CYS B CB 1 ATOM 3652 S SG . CYS B 2 137 ? 39.700 -33.375 -61.303 1.00 59.41 ? 466 CYS B SG 1 ATOM 3653 N N . PHE B 2 138 ? 42.981 -35.608 -63.931 1.00 39.61 ? 467 PHE B N 1 ATOM 3654 C CA . PHE B 2 138 ? 43.698 -35.989 -65.136 1.00 42.92 ? 467 PHE B CA 1 ATOM 3655 C C . PHE B 2 138 ? 42.731 -36.269 -66.287 1.00 43.04 ? 467 PHE B C 1 ATOM 3656 O O . PHE B 2 138 ? 41.859 -37.118 -66.165 1.00 41.86 ? 467 PHE B O 1 ATOM 3657 C CB . PHE B 2 138 ? 44.556 -37.224 -64.865 1.00 44.07 ? 467 PHE B CB 1 ATOM 3658 C CG . PHE B 2 138 ? 45.631 -37.003 -63.844 1.00 42.31 ? 467 PHE B CG 1 ATOM 3659 C CD1 . PHE B 2 138 ? 45.392 -37.251 -62.501 1.00 44.11 ? 467 PHE B CD1 1 ATOM 3660 C CD2 . PHE B 2 138 ? 46.886 -36.554 -64.228 1.00 45.56 ? 467 PHE B CD2 1 ATOM 3661 C CE1 . PHE B 2 138 ? 46.381 -37.048 -61.560 1.00 40.51 ? 467 PHE B CE1 1 ATOM 3662 C CE2 . PHE B 2 138 ? 47.884 -36.350 -63.292 1.00 45.26 ? 467 PHE B CE2 1 ATOM 3663 C CZ . PHE B 2 138 ? 47.632 -36.596 -61.958 1.00 43.34 ? 467 PHE B CZ 1 ATOM 3664 N N . GLU B 2 139 ? 42.879 -35.556 -67.397 1.00 56.28 ? 468 GLU B N 1 ATOM 3665 C CA . GLU B 2 139 ? 42.091 -35.842 -68.595 1.00 51.23 ? 468 GLU B CA 1 ATOM 3666 C C . GLU B 2 139 ? 42.845 -36.795 -69.501 1.00 53.44 ? 468 GLU B C 1 ATOM 3667 O O . GLU B 2 139 ? 43.896 -36.439 -70.019 1.00 55.43 ? 468 GLU B O 1 ATOM 3668 C CB . GLU B 2 139 ? 41.762 -34.566 -69.362 1.00 50.66 ? 468 GLU B CB 1 ATOM 3669 C CG . GLU B 2 139 ? 40.618 -33.745 -68.788 1.00 60.64 ? 468 GLU B CG 1 ATOM 3670 C CD . GLU B 2 139 ? 40.364 -32.465 -69.576 1.00 76.50 ? 468 GLU B CD 1 ATOM 3671 O OE1 . GLU B 2 139 ? 40.985 -32.285 -70.652 1.00 81.46 ? 468 GLU B OE1 1 ATOM 3672 O OE2 . GLU B 2 139 ? 39.551 -31.634 -69.114 1.00 79.57 ? 468 GLU B OE2 1 ATOM 3673 N N . PHE B 2 140 ? 42.309 -38.000 -69.693 1.00 43.96 ? 469 PHE B N 1 ATOM 3674 C CA . PHE B 2 140 ? 42.924 -38.979 -70.581 1.00 47.74 ? 469 PHE B CA 1 ATOM 3675 C C . PHE B 2 140 ? 42.903 -38.529 -72.048 1.00 55.48 ? 469 PHE B C 1 ATOM 3676 O O . PHE B 2 140 ? 41.977 -37.841 -72.480 1.00 56.01 ? 469 PHE B O 1 ATOM 3677 C CB . PHE B 2 140 ? 42.216 -40.322 -70.452 1.00 52.53 ? 469 PHE B CB 1 ATOM 3678 C CG . PHE B 2 140 ? 42.490 -41.033 -69.164 1.00 47.13 ? 469 PHE B CG 1 ATOM 3679 C CD1 . PHE B 2 140 ? 43.500 -41.966 -69.081 1.00 45.56 ? 469 PHE B CD1 1 ATOM 3680 C CD2 . PHE B 2 140 ? 41.726 -40.778 -68.042 1.00 40.30 ? 469 PHE B CD2 1 ATOM 3681 C CE1 . PHE B 2 140 ? 43.752 -42.626 -67.897 1.00 49.45 ? 469 PHE B CE1 1 ATOM 3682 C CE2 . PHE B 2 140 ? 41.969 -41.432 -66.862 1.00 40.82 ? 469 PHE B CE2 1 ATOM 3683 C CZ . PHE B 2 140 ? 42.981 -42.356 -66.782 1.00 43.84 ? 469 PHE B CZ 1 ATOM 3684 N N . TRP B 2 141 ? 43.924 -38.913 -72.812 1.00 57.59 ? 470 TRP B N 1 ATOM 3685 C CA . TRP B 2 141 ? 43.914 -38.655 -74.250 1.00 63.64 ? 470 TRP B CA 1 ATOM 3686 C C . TRP B 2 141 ? 43.281 -39.833 -74.979 1.00 66.44 ? 470 TRP B C 1 ATOM 3687 O O . TRP B 2 141 ? 42.820 -39.695 -76.110 1.00 74.07 ? 470 TRP B O 1 ATOM 3688 C CB . TRP B 2 141 ? 45.330 -38.389 -74.786 1.00 64.97 ? 470 TRP B CB 1 ATOM 3689 C CG . TRP B 2 141 ? 45.932 -37.115 -74.261 1.00 66.26 ? 470 TRP B CG 1 ATOM 3690 C CD1 . TRP B 2 141 ? 47.025 -36.999 -73.452 1.00 62.94 ? 470 TRP B CD1 1 ATOM 3691 C CD2 . TRP B 2 141 ? 45.458 -35.778 -74.486 1.00 68.52 ? 470 TRP B CD2 1 ATOM 3692 N NE1 . TRP B 2 141 ? 47.267 -35.677 -73.168 1.00 60.88 ? 470 TRP B NE1 1 ATOM 3693 C CE2 . TRP B 2 141 ? 46.318 -34.907 -73.786 1.00 62.09 ? 470 TRP B CE2 1 ATOM 3694 C CE3 . TRP B 2 141 ? 44.393 -35.233 -75.216 1.00 74.82 ? 470 TRP B CE3 1 ATOM 3695 C CZ2 . TRP B 2 141 ? 46.148 -33.521 -73.793 1.00 66.54 ? 470 TRP B CZ2 1 ATOM 3696 C CZ3 . TRP B 2 141 ? 44.226 -33.850 -75.224 1.00 72.14 ? 470 TRP B CZ3 1 ATOM 3697 C CH2 . TRP B 2 141 ? 45.098 -33.013 -74.516 1.00 68.87 ? 470 TRP B CH2 1 ATOM 3698 N N . HIS B 2 142 ? 43.263 -40.988 -74.320 1.00 56.10 ? 471 HIS B N 1 ATOM 3699 C CA . HIS B 2 142 ? 42.616 -42.184 -74.847 1.00 52.37 ? 471 HIS B CA 1 ATOM 3700 C C . HIS B 2 142 ? 41.345 -42.516 -74.068 1.00 58.66 ? 471 HIS B C 1 ATOM 3701 O O . HIS B 2 142 ? 41.114 -41.990 -72.983 1.00 61.69 ? 471 HIS B O 1 ATOM 3702 C CB . HIS B 2 142 ? 43.571 -43.371 -74.795 1.00 53.24 ? 471 HIS B CB 1 ATOM 3703 C CG . HIS B 2 142 ? 44.016 -43.719 -73.411 1.00 63.08 ? 471 HIS B CG 1 ATOM 3704 N ND1 . HIS B 2 142 ? 43.282 -44.534 -72.577 1.00 64.53 ? 471 HIS B ND1 1 ATOM 3705 C CD2 . HIS B 2 142 ? 45.111 -43.347 -72.705 1.00 60.86 ? 471 HIS B CD2 1 ATOM 3706 C CE1 . HIS B 2 142 ? 43.911 -44.660 -71.421 1.00 59.93 ? 471 HIS B CE1 1 ATOM 3707 N NE2 . HIS B 2 142 ? 45.024 -43.949 -71.473 1.00 58.18 ? 471 HIS B NE2 1 ATOM 3708 N N . LYS B 2 143 ? 40.522 -43.398 -74.618 1.00 65.41 ? 472 LYS B N 1 ATOM 3709 C CA . LYS B 2 143 ? 39.323 -43.830 -73.920 1.00 60.92 ? 472 LYS B CA 1 ATOM 3710 C C . LYS B 2 143 ? 39.709 -44.726 -72.757 1.00 61.66 ? 472 LYS B C 1 ATOM 3711 O O . LYS B 2 143 ? 40.524 -45.641 -72.900 1.00 59.49 ? 472 LYS B O 1 ATOM 3712 C CB . LYS B 2 143 ? 38.359 -44.564 -74.859 1.00 60.33 ? 472 LYS B CB 1 ATOM 3713 C CG . LYS B 2 143 ? 37.470 -43.643 -75.678 1.00 65.90 ? 472 LYS B CG 1 ATOM 3714 C CD . LYS B 2 143 ? 36.611 -42.764 -74.783 1.00 75.11 ? 472 LYS B CD 1 ATOM 3715 C CE . LYS B 2 143 ? 35.449 -42.158 -75.557 1.00 85.96 ? 472 LYS B CE 1 ATOM 3716 N NZ . LYS B 2 143 ? 34.568 -43.213 -76.150 1.00 87.53 ? 472 LYS B NZ 1 ATOM 3717 N N . CYS B 2 144 ? 39.116 -44.456 -71.603 1.00 56.32 ? 473 CYS B N 1 ATOM 3718 C CA . CYS B 2 144 ? 39.392 -45.242 -70.418 1.00 53.66 ? 473 CYS B CA 1 ATOM 3719 C C . CYS B 2 144 ? 38.084 -45.807 -69.893 1.00 54.98 ? 473 CYS B C 1 ATOM 3720 O O . CYS B 2 144 ? 37.309 -45.094 -69.250 1.00 54.40 ? 473 CYS B O 1 ATOM 3721 C CB . CYS B 2 144 ? 40.094 -44.388 -69.346 1.00 52.18 ? 473 CYS B CB 1 ATOM 3722 S SG . CYS B 2 144 ? 40.913 -45.344 -68.039 1.00 60.90 ? 473 CYS B SG 1 ATOM 3723 N N . ASP B 2 145 ? 37.826 -47.081 -70.177 1.00 55.20 ? 474 ASP B N 1 ATOM 3724 C CA . ASP B 2 145 ? 36.596 -47.703 -69.703 1.00 57.87 ? 474 ASP B CA 1 ATOM 3725 C C . ASP B 2 145 ? 36.712 -48.047 -68.209 1.00 55.30 ? 474 ASP B C 1 ATOM 3726 O O . ASP B 2 145 ? 37.609 -47.563 -67.527 1.00 54.44 ? 474 ASP B O 1 ATOM 3727 C CB . ASP B 2 145 ? 36.238 -48.943 -70.539 1.00 49.35 ? 474 ASP B CB 1 ATOM 3728 C CG . ASP B 2 145 ? 37.365 -49.961 -70.629 1.00 59.71 ? 474 ASP B CG 1 ATOM 3729 O OD1 . ASP B 2 145 ? 38.147 -50.118 -69.666 1.00 59.23 ? 474 ASP B OD1 1 ATOM 3730 O OD2 . ASP B 2 145 ? 37.445 -50.642 -71.674 1.00 66.27 ? 474 ASP B OD2 1 ATOM 3731 N N . ASN B 2 146 ? 35.801 -48.870 -67.708 1.00 50.59 ? 475 ASN B N 1 ATOM 3732 C CA . ASN B 2 146 ? 35.762 -49.186 -66.291 1.00 49.68 ? 475 ASN B CA 1 ATOM 3733 C C . ASN B 2 146 ? 36.947 -50.027 -65.814 1.00 54.34 ? 475 ASN B C 1 ATOM 3734 O O . ASN B 2 146 ? 37.373 -49.903 -64.670 1.00 54.60 ? 475 ASN B O 1 ATOM 3735 C CB . ASN B 2 146 ? 34.456 -49.899 -65.950 1.00 40.11 ? 475 ASN B CB 1 ATOM 3736 C CG . ASN B 2 146 ? 33.273 -48.967 -65.959 1.00 47.19 ? 475 ASN B CG 1 ATOM 3737 O OD1 . ASN B 2 146 ? 33.407 -47.765 -66.223 1.00 46.25 ? 475 ASN B OD1 1 ATOM 3738 N ND2 . ASN B 2 146 ? 32.099 -49.509 -65.661 1.00 48.69 ? 475 ASN B ND2 1 ATOM 3739 N N . GLU B 2 147 ? 37.477 -50.880 -66.681 1.00 58.80 ? 476 GLU B N 1 ATOM 3740 C CA . GLU B 2 147 ? 38.619 -51.706 -66.305 1.00 62.57 ? 476 GLU B CA 1 ATOM 3741 C C . GLU B 2 147 ? 39.917 -50.911 -66.426 1.00 61.05 ? 476 GLU B C 1 ATOM 3742 O O . GLU B 2 147 ? 40.893 -51.183 -65.724 1.00 59.87 ? 476 GLU B O 1 ATOM 3743 C CB . GLU B 2 147 ? 38.676 -52.976 -67.157 1.00 65.54 ? 476 GLU B CB 1 ATOM 3744 C CG . GLU B 2 147 ? 37.806 -54.093 -66.608 1.00 69.05 ? 476 GLU B CG 1 ATOM 3745 C CD . GLU B 2 147 ? 37.890 -55.372 -67.417 1.00 85.74 ? 476 GLU B CD 1 ATOM 3746 O OE1 . GLU B 2 147 ? 38.504 -55.358 -68.511 1.00 88.05 ? 476 GLU B OE1 1 ATOM 3747 O OE2 . GLU B 2 147 ? 37.340 -56.394 -66.949 1.00 88.24 ? 476 GLU B OE2 1 ATOM 3748 N N . CYS B 2 148 ? 39.923 -49.927 -67.316 1.00 50.30 ? 477 CYS B N 1 ATOM 3749 C CA . CYS B 2 148 ? 41.031 -48.995 -67.395 1.00 50.88 ? 477 CYS B CA 1 ATOM 3750 C C . CYS B 2 148 ? 41.094 -48.145 -66.117 1.00 57.48 ? 477 CYS B C 1 ATOM 3751 O O . CYS B 2 148 ? 42.169 -47.987 -65.529 1.00 51.74 ? 477 CYS B O 1 ATOM 3752 C CB . CYS B 2 148 ? 40.898 -48.113 -68.627 1.00 48.51 ? 477 CYS B CB 1 ATOM 3753 S SG . CYS B 2 148 ? 42.141 -46.824 -68.765 1.00 62.34 ? 477 CYS B SG 1 ATOM 3754 N N . MET B 2 149 ? 39.942 -47.614 -65.694 1.00 57.60 ? 478 MET B N 1 ATOM 3755 C CA . MET B 2 149 ? 39.823 -46.879 -64.432 1.00 50.36 ? 478 MET B CA 1 ATOM 3756 C C . MET B 2 149 ? 40.317 -47.712 -63.259 1.00 53.07 ? 478 MET B C 1 ATOM 3757 O O . MET B 2 149 ? 41.121 -47.253 -62.445 1.00 49.81 ? 478 MET B O 1 ATOM 3758 C CB . MET B 2 149 ? 38.373 -46.462 -64.166 1.00 48.68 ? 478 MET B CB 1 ATOM 3759 C CG . MET B 2 149 ? 37.842 -45.348 -65.055 1.00 47.60 ? 478 MET B CG 1 ATOM 3760 S SD . MET B 2 149 ? 38.900 -43.899 -65.055 1.00 52.12 ? 478 MET B SD 1 ATOM 3761 C CE . MET B 2 149 ? 38.072 -42.836 -66.232 1.00 41.64 ? 478 MET B CE 1 ATOM 3762 N N . GLU B 2 150 ? 39.834 -48.944 -63.178 1.00 51.21 ? 479 GLU B N 1 ATOM 3763 C CA . GLU B 2 150 ? 40.164 -49.802 -62.054 1.00 52.69 ? 479 GLU B CA 1 ATOM 3764 C C . GLU B 2 150 ? 41.654 -50.142 -62.035 1.00 55.51 ? 479 GLU B C 1 ATOM 3765 O O . GLU B 2 150 ? 42.218 -50.392 -60.970 1.00 55.01 ? 479 GLU B O 1 ATOM 3766 C CB . GLU B 2 150 ? 39.320 -51.078 -62.082 1.00 52.15 ? 479 GLU B CB 1 ATOM 3767 C CG . GLU B 2 150 ? 39.350 -51.882 -60.789 1.00 58.14 ? 479 GLU B CG 1 ATOM 3768 C CD . GLU B 2 150 ? 38.895 -51.076 -59.570 1.00 70.68 ? 479 GLU B CD 1 ATOM 3769 O OE1 . GLU B 2 150 ? 39.555 -51.180 -58.508 1.00 67.71 ? 479 GLU B OE1 1 ATOM 3770 O OE2 . GLU B 2 150 ? 37.877 -50.348 -59.668 1.00 67.71 ? 479 GLU B OE2 1 ATOM 3771 N N . SER B 2 151 ? 42.300 -50.130 -63.198 1.00 51.75 ? 480 SER B N 1 ATOM 3772 C CA . SER B 2 151 ? 43.720 -50.460 -63.245 1.00 49.59 ? 480 SER B CA 1 ATOM 3773 C C . SER B 2 151 ? 44.564 -49.287 -62.740 1.00 51.64 ? 480 SER B C 1 ATOM 3774 O O . SER B 2 151 ? 45.655 -49.496 -62.213 1.00 54.46 ? 480 SER B O 1 ATOM 3775 C CB . SER B 2 151 ? 44.151 -50.869 -64.657 1.00 47.06 ? 480 SER B CB 1 ATOM 3776 O OG . SER B 2 151 ? 44.253 -49.756 -65.524 1.00 46.19 ? 480 SER B OG 1 ATOM 3777 N N . VAL B 2 152 ? 44.062 -48.063 -62.900 1.00 48.80 ? 481 VAL B N 1 ATOM 3778 C CA . VAL B 2 152 ? 44.707 -46.884 -62.321 1.00 47.46 ? 481 VAL B CA 1 ATOM 3779 C C . VAL B 2 152 ? 44.584 -46.902 -60.784 1.00 50.87 ? 481 VAL B C 1 ATOM 3780 O O . VAL B 2 152 ? 45.564 -46.738 -60.062 1.00 48.29 ? 481 VAL B O 1 ATOM 3781 C CB . VAL B 2 152 ? 44.103 -45.576 -62.868 1.00 44.27 ? 481 VAL B CB 1 ATOM 3782 C CG1 . VAL B 2 152 ? 44.680 -44.375 -62.131 1.00 41.84 ? 481 VAL B CG1 1 ATOM 3783 C CG2 . VAL B 2 152 ? 44.350 -45.452 -64.358 1.00 43.09 ? 481 VAL B CG2 1 ATOM 3784 N N . LYS B 2 153 ? 43.371 -47.124 -60.294 1.00 51.91 ? 482 LYS B N 1 ATOM 3785 C CA . LYS B 2 153 ? 43.124 -47.222 -58.869 1.00 47.96 ? 482 LYS B CA 1 ATOM 3786 C C . LYS B 2 153 ? 43.919 -48.325 -58.164 1.00 54.81 ? 482 LYS B C 1 ATOM 3787 O O . LYS B 2 153 ? 44.366 -48.129 -57.035 1.00 58.84 ? 482 LYS B O 1 ATOM 3788 C CB . LYS B 2 153 ? 41.641 -47.442 -58.615 1.00 46.15 ? 482 LYS B CB 1 ATOM 3789 C CG . LYS B 2 153 ? 40.756 -46.281 -59.013 1.00 47.19 ? 482 LYS B CG 1 ATOM 3790 C CD . LYS B 2 153 ? 39.303 -46.684 -58.869 1.00 52.20 ? 482 LYS B CD 1 ATOM 3791 C CE . LYS B 2 153 ? 38.362 -45.609 -59.352 1.00 59.94 ? 482 LYS B CE 1 ATOM 3792 N NZ . LYS B 2 153 ? 36.943 -46.080 -59.321 1.00 61.54 ? 482 LYS B NZ 1 ATOM 3793 N N . ASN B 2 154 ? 44.088 -49.484 -58.795 1.00 62.88 ? 483 ASN B N 1 ATOM 3794 C CA . ASN B 2 154 ? 44.809 -50.570 -58.127 1.00 59.37 ? 483 ASN B CA 1 ATOM 3795 C C . ASN B 2 154 ? 46.292 -50.558 -58.487 1.00 61.38 ? 483 ASN B C 1 ATOM 3796 O O . ASN B 2 154 ? 47.036 -51.467 -58.123 1.00 63.59 ? 483 ASN B O 1 ATOM 3797 C CB . ASN B 2 154 ? 44.159 -51.945 -58.421 1.00 58.68 ? 483 ASN B CB 1 ATOM 3798 C CG . ASN B 2 154 ? 44.399 -52.480 -59.855 1.00 70.74 ? 483 ASN B CG 1 ATOM 3799 O OD1 . ASN B 2 154 ? 45.203 -51.958 -60.640 1.00 66.43 ? 483 ASN B OD1 1 ATOM 3800 N ND2 . ASN B 2 154 ? 43.672 -53.560 -60.179 1.00 74.23 ? 483 ASN B ND2 1 ATOM 3801 N N . GLY B 2 155 ? 46.705 -49.513 -59.202 1.00 49.87 ? 484 GLY B N 1 ATOM 3802 C CA . GLY B 2 155 ? 48.105 -49.280 -59.508 1.00 49.46 ? 484 GLY B CA 1 ATOM 3803 C C . GLY B 2 155 ? 48.741 -50.256 -60.481 1.00 57.61 ? 484 GLY B C 1 ATOM 3804 O O . GLY B 2 155 ? 49.907 -50.617 -60.334 1.00 61.04 ? 484 GLY B O 1 ATOM 3805 N N . THR B 2 156 ? 47.981 -50.683 -61.484 1.00 59.63 ? 485 THR B N 1 ATOM 3806 C CA . THR B 2 156 ? 48.488 -51.623 -62.478 1.00 58.00 ? 485 THR B CA 1 ATOM 3807 C C . THR B 2 156 ? 48.197 -51.120 -63.886 1.00 59.14 ? 485 THR B C 1 ATOM 3808 O O . THR B 2 156 ? 48.146 -51.899 -64.833 1.00 63.91 ? 485 THR B O 1 ATOM 3809 C CB . THR B 2 156 ? 47.875 -53.031 -62.301 1.00 64.49 ? 485 THR B CB 1 ATOM 3810 O OG1 . THR B 2 156 ? 46.462 -52.980 -62.548 1.00 66.48 ? 485 THR B OG1 1 ATOM 3811 C CG2 . THR B 2 156 ? 48.133 -53.570 -60.887 1.00 60.12 ? 485 THR B CG2 1 ATOM 3812 N N . TYR B 2 157 ? 48.005 -49.812 -64.008 1.00 51.55 ? 486 TYR B N 1 ATOM 3813 C CA . TYR B 2 157 ? 47.718 -49.186 -65.291 1.00 51.00 ? 486 TYR B CA 1 ATOM 3814 C C . TYR B 2 157 ? 48.789 -49.549 -66.302 1.00 60.48 ? 486 TYR B C 1 ATOM 3815 O O . TYR B 2 157 ? 49.981 -49.445 -66.024 1.00 66.14 ? 486 TYR B O 1 ATOM 3816 C CB . TYR B 2 157 ? 47.614 -47.672 -65.126 1.00 51.69 ? 486 TYR B CB 1 ATOM 3817 C CG . TYR B 2 157 ? 47.478 -46.881 -66.409 1.00 50.27 ? 486 TYR B CG 1 ATOM 3818 C CD1 . TYR B 2 157 ? 46.256 -46.778 -67.058 1.00 47.87 ? 486 TYR B CD1 1 ATOM 3819 C CD2 . TYR B 2 157 ? 48.562 -46.205 -66.944 1.00 44.87 ? 486 TYR B CD2 1 ATOM 3820 C CE1 . TYR B 2 157 ? 46.122 -46.046 -68.216 1.00 42.10 ? 486 TYR B CE1 1 ATOM 3821 C CE2 . TYR B 2 157 ? 48.437 -45.467 -68.102 1.00 51.05 ? 486 TYR B CE2 1 ATOM 3822 C CZ . TYR B 2 157 ? 47.216 -45.394 -68.737 1.00 51.47 ? 486 TYR B CZ 1 ATOM 3823 O OH . TYR B 2 157 ? 47.090 -44.656 -69.895 1.00 50.33 ? 486 TYR B OH 1 ATOM 3824 N N . ASP B 2 158 ? 48.348 -49.990 -67.474 1.00 81.25 ? 487 ASP B N 1 ATOM 3825 C CA . ASP B 2 158 ? 49.247 -50.500 -68.498 1.00 81.00 ? 487 ASP B CA 1 ATOM 3826 C C . ASP B 2 158 ? 49.550 -49.430 -69.536 1.00 82.54 ? 487 ASP B C 1 ATOM 3827 O O . ASP B 2 158 ? 48.802 -49.249 -70.497 1.00 87.67 ? 487 ASP B O 1 ATOM 3828 C CB . ASP B 2 158 ? 48.639 -51.733 -69.162 1.00 87.23 ? 487 ASP B CB 1 ATOM 3829 C CG . ASP B 2 158 ? 49.672 -52.586 -69.853 1.00 92.32 ? 487 ASP B CG 1 ATOM 3830 O OD1 . ASP B 2 158 ? 50.880 -52.339 -69.647 1.00 94.15 ? 487 ASP B OD1 1 ATOM 3831 O OD2 . ASP B 2 158 ? 49.274 -53.518 -70.581 1.00 93.42 ? 487 ASP B OD2 1 ATOM 3832 N N . TYR B 2 159 ? 50.652 -48.719 -69.330 1.00 82.74 ? 488 TYR B N 1 ATOM 3833 C CA . TYR B 2 159 ? 51.034 -47.617 -70.206 1.00 83.05 ? 488 TYR B CA 1 ATOM 3834 C C . TYR B 2 159 ? 51.279 -48.001 -71.679 1.00 90.33 ? 488 TYR B C 1 ATOM 3835 O O . TYR B 2 159 ? 50.790 -47.296 -72.565 1.00 90.77 ? 488 TYR B O 1 ATOM 3836 C CB . TYR B 2 159 ? 52.277 -46.910 -69.648 1.00 76.07 ? 488 TYR B CB 1 ATOM 3837 C CG . TYR B 2 159 ? 52.712 -45.717 -70.475 1.00 80.40 ? 488 TYR B CG 1 ATOM 3838 C CD1 . TYR B 2 159 ? 52.016 -44.519 -70.414 1.00 76.62 ? 488 TYR B CD1 1 ATOM 3839 C CD2 . TYR B 2 159 ? 53.817 -45.790 -71.316 1.00 81.97 ? 488 TYR B CD2 1 ATOM 3840 C CE1 . TYR B 2 159 ? 52.399 -43.425 -71.169 1.00 71.32 ? 488 TYR B CE1 1 ATOM 3841 C CE2 . TYR B 2 159 ? 54.211 -44.699 -72.073 1.00 81.03 ? 488 TYR B CE2 1 ATOM 3842 C CZ . TYR B 2 159 ? 53.497 -43.518 -71.994 1.00 79.59 ? 488 TYR B CZ 1 ATOM 3843 O OH . TYR B 2 159 ? 53.878 -42.421 -72.738 1.00 80.26 ? 488 TYR B OH 1 ATOM 3844 N N . PRO B 2 160 ? 52.032 -49.096 -71.955 1.00 106.67 ? 489 PRO B N 1 ATOM 3845 C CA . PRO B 2 160 ? 52.337 -49.412 -73.363 1.00 104.79 ? 489 PRO B CA 1 ATOM 3846 C C . PRO B 2 160 ? 51.119 -49.592 -74.279 1.00 103.88 ? 489 PRO B C 1 ATOM 3847 O O . PRO B 2 160 ? 51.255 -49.391 -75.488 1.00 103.75 ? 489 PRO B O 1 ATOM 3848 C CB . PRO B 2 160 ? 53.130 -50.728 -73.266 1.00 102.44 ? 489 PRO B CB 1 ATOM 3849 C CG . PRO B 2 160 ? 52.862 -51.260 -71.909 1.00 102.62 ? 489 PRO B CG 1 ATOM 3850 C CD . PRO B 2 160 ? 52.704 -50.047 -71.050 1.00 103.27 ? 489 PRO B CD 1 ATOM 3851 N N . LYS B 2 161 ? 49.961 -49.950 -73.729 1.00 83.51 ? 490 LYS B N 1 ATOM 3852 C CA . LYS B 2 161 ? 48.730 -49.978 -74.519 1.00 83.58 ? 490 LYS B CA 1 ATOM 3853 C C . LYS B 2 161 ? 48.267 -48.565 -74.873 1.00 86.91 ? 490 LYS B C 1 ATOM 3854 O O . LYS B 2 161 ? 49.019 -47.595 -74.737 1.00 87.51 ? 490 LYS B O 1 ATOM 3855 C CB . LYS B 2 161 ? 47.616 -50.700 -73.768 1.00 78.19 ? 490 LYS B CB 1 ATOM 3856 C CG . LYS B 2 161 ? 47.901 -52.153 -73.456 1.00 82.88 ? 490 LYS B CG 1 ATOM 3857 C CD . LYS B 2 161 ? 46.875 -52.699 -72.470 1.00 84.29 ? 490 LYS B CD 1 ATOM 3858 C CE . LYS B 2 161 ? 45.454 -52.368 -72.902 1.00 80.13 ? 490 LYS B CE 1 ATOM 3859 N NZ . LYS B 2 161 ? 44.449 -52.982 -71.999 1.00 77.26 ? 490 LYS B NZ 1 ATOM 3860 N N . TYR B 2 162 ? 47.024 -48.461 -75.331 1.00 98.22 ? 491 TYR B N 1 ATOM 3861 C CA . TYR B 2 162 ? 46.394 -47.170 -75.610 1.00 101.45 ? 491 TYR B CA 1 ATOM 3862 C C . TYR B 2 162 ? 47.201 -46.316 -76.596 1.00 106.30 ? 491 TYR B C 1 ATOM 3863 O O . TYR B 2 162 ? 47.925 -45.397 -76.198 1.00 102.36 ? 491 TYR B O 1 ATOM 3864 C CB . TYR B 2 162 ? 46.172 -46.401 -74.301 1.00 89.86 ? 491 TYR B CB 1 ATOM 3865 C CG . TYR B 2 162 ? 45.565 -47.245 -73.201 1.00 88.66 ? 491 TYR B CG 1 ATOM 3866 C CD1 . TYR B 2 162 ? 46.314 -47.619 -72.091 1.00 85.59 ? 491 TYR B CD1 1 ATOM 3867 C CD2 . TYR B 2 162 ? 44.248 -47.688 -73.283 1.00 90.17 ? 491 TYR B CD2 1 ATOM 3868 C CE1 . TYR B 2 162 ? 45.764 -48.399 -71.088 1.00 82.34 ? 491 TYR B CE1 1 ATOM 3869 C CE2 . TYR B 2 162 ? 43.688 -48.472 -72.282 1.00 82.43 ? 491 TYR B CE2 1 ATOM 3870 C CZ . TYR B 2 162 ? 44.451 -48.822 -71.189 1.00 85.44 ? 491 TYR B CZ 1 ATOM 3871 O OH . TYR B 2 162 ? 43.899 -49.597 -70.192 1.00 88.41 ? 491 TYR B OH 1 HETATM 3872 C C1 . NAG C 3 . ? 37.173 -20.101 -31.660 0.00 63.69 ? 601 NAG A C1 1 HETATM 3873 C C2 . NAG C 3 . ? 35.676 -20.127 -31.984 0.00 64.91 ? 601 NAG A C2 1 HETATM 3874 C C3 . NAG C 3 . ? 34.857 -19.661 -30.790 0.00 66.65 ? 601 NAG A C3 1 HETATM 3875 C C4 . NAG C 3 . ? 35.205 -20.494 -29.564 0.00 66.55 ? 601 NAG A C4 1 HETATM 3876 C C5 . NAG C 3 . ? 36.709 -20.433 -29.312 0.00 65.88 ? 601 NAG A C5 1 HETATM 3877 C C6 . NAG C 3 . ? 37.147 -21.310 -28.162 0.00 65.97 ? 601 NAG A C6 1 HETATM 3878 C C7 . NAG C 3 . ? 35.030 -19.818 -34.336 0.00 64.18 ? 601 NAG A C7 1 HETATM 3879 C C8 . NAG C 3 . ? 34.772 -18.827 -35.432 0.00 67.10 ? 601 NAG A C8 1 HETATM 3880 N N2 . NAG C 3 . ? 35.389 -19.304 -33.157 0.00 65.12 ? 601 NAG A N2 1 HETATM 3881 O O3 . NAG C 3 . ? 33.471 -19.791 -31.084 0.00 67.70 ? 601 NAG A O3 1 HETATM 3882 O O4 . NAG C 3 . ? 34.508 -20.006 -28.425 0.00 68.16 ? 601 NAG A O4 1 HETATM 3883 O O5 . NAG C 3 . ? 37.413 -20.888 -30.474 0.00 64.34 ? 601 NAG A O5 1 HETATM 3884 O O6 . NAG C 3 . ? 38.381 -21.955 -28.446 0.00 64.44 ? 601 NAG A O6 1 HETATM 3885 O O7 . NAG C 3 . ? 34.918 -21.028 -34.513 0.00 62.80 ? 601 NAG A O7 1 HETATM 3886 C C1 . NAG D 3 . ? 51.526 -62.826 26.196 0.00 74.56 ? 602 NAG A C1 1 HETATM 3887 C C2 . NAG D 3 . ? 51.933 -64.115 25.433 0.00 75.07 ? 602 NAG A C2 1 HETATM 3888 C C3 . NAG D 3 . ? 53.266 -64.674 25.920 0.00 75.24 ? 602 NAG A C3 1 HETATM 3889 C C4 . NAG D 3 . ? 54.338 -63.594 25.932 0.00 74.44 ? 602 NAG A C4 1 HETATM 3890 C C5 . NAG D 3 . ? 53.856 -62.524 26.886 0.00 74.30 ? 602 NAG A C5 1 HETATM 3891 C C6 . NAG D 3 . ? 54.827 -61.385 27.061 0.00 73.73 ? 602 NAG A C6 1 HETATM 3892 C C7 . NAG D 3 . ? 50.183 -65.534 24.473 0.00 76.03 ? 602 NAG A C7 1 HETATM 3893 C C8 . NAG D 3 . ? 49.114 -66.560 24.759 0.00 76.51 ? 602 NAG A C8 1 HETATM 3894 N N2 . NAG D 3 . ? 50.903 -65.137 25.517 0.00 75.78 ? 602 NAG A N2 1 HETATM 3895 O O3 . NAG D 3 . ? 53.647 -65.748 25.070 0.00 75.50 ? 602 NAG A O3 1 HETATM 3896 O O4 . NAG D 3 . ? 55.568 -64.131 26.396 0.00 74.82 ? 602 NAG A O4 1 HETATM 3897 O O5 . NAG D 3 . ? 52.662 -61.946 26.348 0.00 74.24 ? 602 NAG A O5 1 HETATM 3898 O O6 . NAG D 3 . ? 54.774 -60.884 28.390 0.00 74.05 ? 602 NAG A O6 1 HETATM 3899 O O7 . NAG D 3 . ? 50.373 -65.094 23.347 0.00 75.63 ? 602 NAG A O7 1 HETATM 3900 C C1 . SIA E 4 . ? 29.490 -32.177 35.135 1.00 108.84 ? 603 SIA A C1 1 HETATM 3901 C C2 . SIA E 4 . ? 29.588 -31.905 36.613 1.00 115.05 ? 603 SIA A C2 1 HETATM 3902 C C3 . SIA E 4 . ? 28.787 -32.961 37.363 1.00 110.61 ? 603 SIA A C3 1 HETATM 3903 C C4 . SIA E 4 . ? 29.366 -34.347 37.113 1.00 105.98 ? 603 SIA A C4 1 HETATM 3904 C C5 . SIA E 4 . ? 30.867 -34.358 37.366 1.00 104.40 ? 603 SIA A C5 1 HETATM 3905 C C6 . SIA E 4 . ? 31.555 -33.212 36.634 1.00 103.19 ? 603 SIA A C6 1 HETATM 3906 C C7 . SIA E 4 . ? 33.043 -33.182 36.963 1.00 99.52 ? 603 SIA A C7 1 HETATM 3907 C C8 . SIA E 4 . ? 33.724 -31.943 36.396 1.00 97.98 ? 603 SIA A C8 1 HETATM 3908 C C9 . SIA E 4 . ? 35.226 -31.995 36.639 1.00 85.18 ? 603 SIA A C9 1 HETATM 3909 C C10 . SIA E 4 . ? 32.495 -36.144 37.543 1.00 91.34 ? 603 SIA A C10 1 HETATM 3910 C C11 . SIA E 4 . ? 32.795 -37.576 37.220 1.00 86.87 ? 603 SIA A C11 1 HETATM 3911 N N5 . SIA E 4 . ? 31.427 -35.626 36.946 1.00 96.98 ? 603 SIA A N5 1 HETATM 3912 O O1A . SIA E 4 . ? 30.515 -32.557 34.531 1.00 104.32 ? 603 SIA A O1A 1 HETATM 3913 O O1B . SIA E 4 . ? 28.387 -32.015 34.571 1.00 106.12 ? 603 SIA A O1B 1 HETATM 3914 O O4 . SIA E 4 . ? 28.733 -35.292 37.982 1.00 103.04 ? 603 SIA A O4 1 HETATM 3915 O O6 . SIA E 4 . ? 30.954 -31.977 37.016 1.00 110.65 ? 603 SIA A O6 1 HETATM 3916 O O7 . SIA E 4 . ? 33.209 -33.196 38.383 1.00 98.60 ? 603 SIA A O7 1 HETATM 3917 O O8 . SIA E 4 . ? 33.474 -31.854 34.990 1.00 94.20 ? 603 SIA A O8 1 HETATM 3918 O O9 . SIA E 4 . ? 35.798 -30.717 36.346 1.00 83.57 ? 603 SIA A O9 1 HETATM 3919 O O10 . SIA E 4 . ? 33.187 -35.494 38.304 1.00 95.97 ? 603 SIA A O10 1 HETATM 3920 C C1 . GAL F 5 . ? 29.841 -25.873 37.060 1.00 149.94 ? 604 GAL A C1 1 HETATM 3921 C C2 . GAL F 5 . ? 29.397 -25.528 35.643 1.00 150.75 ? 604 GAL A C2 1 HETATM 3922 C C3 . GAL F 5 . ? 28.425 -26.572 35.107 1.00 144.61 ? 604 GAL A C3 1 HETATM 3923 C C4 . GAL F 5 . ? 28.967 -27.981 35.314 1.00 134.74 ? 604 GAL A C4 1 HETATM 3924 C C5 . GAL F 5 . ? 29.437 -28.179 36.750 1.00 139.09 ? 604 GAL A C5 1 HETATM 3925 C C6 . GAL F 5 . ? 30.050 -29.562 36.938 1.00 129.32 ? 604 GAL A C6 1 HETATM 3926 O O1 . GAL F 5 . ? 30.822 -24.925 37.496 1.00 147.00 ? 604 GAL A O1 1 HETATM 3927 O O2 . GAL F 5 . ? 28.767 -24.242 35.640 1.00 150.38 ? 604 GAL A O2 1 HETATM 3928 O O3 . GAL F 5 . ? 28.205 -26.346 33.710 1.00 135.21 ? 604 GAL A O3 1 HETATM 3929 O O4 . GAL F 5 . ? 30.060 -28.209 34.418 1.00 135.12 ? 604 GAL A O4 1 HETATM 3930 O O5 . GAL F 5 . ? 30.404 -27.182 37.076 1.00 143.49 ? 604 GAL A O5 1 HETATM 3931 O O6 . GAL F 5 . ? 29.073 -30.563 36.634 1.00 127.44 ? 604 GAL A O6 1 HETATM 3932 C C1 . NAG G 3 . ? 43.684 -54.304 -61.411 0.00 74.71 ? 501 NAG B C1 1 HETATM 3933 C C2 . NAG G 3 . ? 43.686 -55.797 -61.070 0.00 78.61 ? 501 NAG B C2 1 HETATM 3934 C C3 . NAG G 3 . ? 43.653 -56.636 -62.348 0.00 84.06 ? 501 NAG B C3 1 HETATM 3935 C C4 . NAG G 3 . ? 42.527 -56.201 -63.266 0.00 88.52 ? 501 NAG B C4 1 HETATM 3936 C C5 . NAG G 3 . ? 42.599 -54.693 -63.503 0.00 81.71 ? 501 NAG B C5 1 HETATM 3937 C C6 . NAG G 3 . ? 41.451 -54.154 -64.322 0.00 81.05 ? 501 NAG B C6 1 HETATM 3938 C C7 . NAG G 3 . ? 44.815 -56.185 -58.920 0.00 75.46 ? 501 NAG B C7 1 HETATM 3939 C C8 . NAG G 3 . ? 46.099 -56.565 -58.254 0.00 75.40 ? 501 NAG B C8 1 HETATM 3940 N N2 . NAG G 3 . ? 44.838 -56.143 -60.261 0.00 76.80 ? 501 NAG B N2 1 HETATM 3941 O O3 . NAG G 3 . ? 43.496 -58.009 -61.995 0.00 87.64 ? 501 NAG B O3 1 HETATM 3942 O O4 . NAG G 3 . ? 42.669 -56.867 -64.520 0.00 95.38 ? 501 NAG B O4 1 HETATM 3943 O O5 . NAG G 3 . ? 42.571 -54.005 -62.244 0.00 75.04 ? 501 NAG B O5 1 HETATM 3944 O O6 . NAG G 3 . ? 40.226 -54.203 -63.603 0.00 79.69 ? 501 NAG B O6 1 HETATM 3945 O O7 . NAG G 3 . ? 43.799 -55.924 -58.285 0.00 74.98 ? 501 NAG B O7 1 HETATM 3946 C C1 . NAG H 3 . ? 41.504 -57.621 -64.910 1.00 109.45 ? 502 NAG B C1 1 HETATM 3947 C C2 . NAG H 3 . ? 41.467 -57.576 -66.442 1.00 114.30 ? 502 NAG B C2 1 HETATM 3948 C C3 . NAG H 3 . ? 40.342 -58.460 -66.985 1.00 121.38 ? 502 NAG B C3 1 HETATM 3949 C C4 . NAG H 3 . ? 40.416 -59.867 -66.408 1.00 125.65 ? 502 NAG B C4 1 HETATM 3950 C C5 . NAG H 3 . ? 40.466 -59.791 -64.880 1.00 124.46 ? 502 NAG B C5 1 HETATM 3951 C C6 . NAG H 3 . ? 40.651 -61.137 -64.214 1.00 122.43 ? 502 NAG B C6 1 HETATM 3952 C C7 . NAG H 3 . ? 42.135 -55.597 -67.751 1.00 117.56 ? 502 NAG B C7 1 HETATM 3953 C C8 . NAG H 3 . ? 43.315 -56.404 -68.206 1.00 115.23 ? 502 NAG B C8 1 HETATM 3954 N N2 . NAG H 3 . ? 41.295 -56.206 -66.906 1.00 117.85 ? 502 NAG B N2 1 HETATM 3955 O O3 . NAG H 3 . ? 40.422 -58.518 -68.405 1.00 123.07 ? 502 NAG B O3 1 HETATM 3956 O O4 . NAG H 3 . ? 39.262 -60.585 -66.837 1.00 125.90 ? 502 NAG B O4 1 HETATM 3957 O O5 . NAG H 3 . ? 41.577 -58.978 -64.473 1.00 119.24 ? 502 NAG B O5 1 HETATM 3958 O O6 . NAG H 3 . ? 41.255 -61.014 -62.933 1.00 111.82 ? 502 NAG B O6 1 HETATM 3959 O O7 . NAG H 3 . ? 41.951 -54.440 -68.129 1.00 112.82 ? 502 NAG B O7 1 HETATM 3960 C C1 . BMA I 6 . ? 39.541 -61.879 -67.431 1.00 135.96 ? 503 BMA B C1 1 HETATM 3961 C C2 . BMA I 6 . ? 38.704 -62.884 -66.640 1.00 134.39 ? 503 BMA B C2 1 HETATM 3962 C C3 . BMA I 6 . ? 38.772 -64.280 -67.236 1.00 136.03 ? 503 BMA B C3 1 HETATM 3963 C C4 . BMA I 6 . ? 38.210 -64.156 -68.637 1.00 138.12 ? 503 BMA B C4 1 HETATM 3964 C C5 . BMA I 6 . ? 39.173 -63.267 -69.425 1.00 140.76 ? 503 BMA B C5 1 HETATM 3965 C C6 . BMA I 6 . ? 38.755 -63.172 -70.891 1.00 142.88 ? 503 BMA B C6 1 HETATM 3966 O O2 . BMA I 6 . ? 37.342 -62.435 -66.665 1.00 131.95 ? 503 BMA B O2 1 HETATM 3967 O O3 . BMA I 6 . ? 38.015 -65.219 -66.462 1.00 130.13 ? 503 BMA B O3 1 HETATM 3968 O O4 . BMA I 6 . ? 38.049 -65.456 -69.220 1.00 136.88 ? 503 BMA B O4 1 HETATM 3969 O O5 . BMA I 6 . ? 39.255 -61.949 -68.843 1.00 135.22 ? 503 BMA B O5 1 HETATM 3970 O O6 . BMA I 6 . ? 39.608 -62.249 -71.580 1.00 135.76 ? 503 BMA B O6 1 HETATM 3971 O O . HOH J 7 . ? 50.189 -48.817 22.092 1.00 57.48 ? 701 HOH A O 1 HETATM 3972 O O . HOH J 7 . ? 46.708 -48.981 7.784 1.00 51.04 ? 702 HOH A O 1 HETATM 3973 O O . HOH J 7 . ? 52.745 -35.222 14.918 1.00 65.63 ? 703 HOH A O 1 HETATM 3974 O O . HOH J 7 . ? 31.412 -51.048 -6.695 1.00 74.26 ? 704 HOH A O 1 HETATM 3975 O O . HOH J 7 . ? 56.871 -54.626 19.179 1.00 63.58 ? 705 HOH A O 1 HETATM 3976 O O . HOH J 7 . ? 50.910 -40.818 -17.322 1.00 43.97 ? 706 HOH A O 1 HETATM 3977 O O . HOH J 7 . ? 23.804 -41.093 16.799 1.00 62.70 ? 707 HOH A O 1 HETATM 3978 O O . HOH J 7 . ? 32.097 -48.014 15.372 1.00 63.40 ? 708 HOH A O 1 HETATM 3979 O O . HOH J 7 . ? 32.092 -46.779 17.513 1.00 62.20 ? 709 HOH A O 1 HETATM 3980 O O . HOH J 7 . ? 49.395 -35.680 14.259 1.00 41.84 ? 710 HOH A O 1 HETATM 3981 O O . HOH J 7 . ? 29.982 -31.839 -36.075 1.00 48.15 ? 711 HOH A O 1 HETATM 3982 O O . HOH J 7 . ? 40.156 -47.444 24.189 1.00 44.28 ? 712 HOH A O 1 HETATM 3983 O O . HOH J 7 . ? 34.610 -25.568 -47.033 1.00 63.94 ? 713 HOH A O 1 HETATM 3984 O O . HOH J 7 . ? 37.648 -31.985 -46.372 1.00 36.30 ? 714 HOH A O 1 HETATM 3985 O O . HOH J 7 . ? 31.820 -32.715 -2.352 1.00 47.72 ? 715 HOH A O 1 HETATM 3986 O O . HOH J 7 . ? 30.348 -29.264 -7.654 1.00 63.85 ? 716 HOH A O 1 HETATM 3987 O O . HOH J 7 . ? 31.030 -39.065 -15.793 1.00 56.74 ? 717 HOH A O 1 HETATM 3988 O O . HOH J 7 . ? 34.862 -44.164 -15.177 1.00 57.40 ? 718 HOH A O 1 HETATM 3989 O O . HOH J 7 . ? 40.397 -33.575 -57.565 1.00 47.67 ? 719 HOH A O 1 HETATM 3990 O O . HOH J 7 . ? 39.532 -31.932 17.494 1.00 50.84 ? 720 HOH A O 1 HETATM 3991 O O . HOH J 7 . ? 38.724 -48.469 2.830 1.00 54.41 ? 721 HOH A O 1 HETATM 3992 O O . HOH J 7 . ? 35.371 -33.955 -35.736 1.00 51.71 ? 722 HOH A O 1 HETATM 3993 O O . HOH J 7 . ? 54.256 -48.323 19.427 1.00 59.46 ? 723 HOH A O 1 HETATM 3994 O O . HOH J 7 . ? 47.377 -34.566 -12.020 1.00 46.20 ? 724 HOH A O 1 HETATM 3995 O O . HOH J 7 . ? 44.158 -19.186 -35.403 1.00 61.89 ? 725 HOH A O 1 HETATM 3996 O O . HOH J 7 . ? 37.965 -31.080 -5.853 1.00 58.74 ? 726 HOH A O 1 HETATM 3997 O O . HOH J 7 . ? 28.218 -33.035 -14.631 1.00 57.16 ? 727 HOH A O 1 HETATM 3998 O O . HOH J 7 . ? 46.952 -19.368 -38.445 1.00 52.44 ? 728 HOH A O 1 HETATM 3999 O O . HOH J 7 . ? 29.317 -51.601 8.025 1.00 44.97 ? 729 HOH A O 1 HETATM 4000 O O . HOH J 7 . ? 34.981 -38.471 -28.520 1.00 40.65 ? 730 HOH A O 1 HETATM 4001 O O . HOH J 7 . ? 46.870 -32.649 16.753 1.00 57.04 ? 731 HOH A O 1 HETATM 4002 O O . HOH J 7 . ? 45.527 -29.483 -43.782 1.00 31.31 ? 732 HOH A O 1 HETATM 4003 O O . HOH J 7 . ? 47.877 -26.849 -38.621 1.00 42.68 ? 733 HOH A O 1 HETATM 4004 O O . HOH J 7 . ? 44.302 -32.309 -43.126 1.00 35.26 ? 734 HOH A O 1 HETATM 4005 O O . HOH J 7 . ? 47.442 -28.353 -41.732 1.00 47.52 ? 735 HOH A O 1 HETATM 4006 O O . HOH J 7 . ? 28.718 -24.286 -52.254 1.00 72.73 ? 736 HOH A O 1 HETATM 4007 O O . HOH J 7 . ? 37.300 -40.750 -34.710 1.00 54.89 ? 737 HOH A O 1 HETATM 4008 O O . HOH J 7 . ? 39.569 -27.978 -13.044 1.00 66.41 ? 738 HOH A O 1 HETATM 4009 O O . HOH J 7 . ? 42.160 -29.146 -29.343 1.00 50.83 ? 739 HOH A O 1 HETATM 4010 O O . HOH J 7 . ? 38.426 -34.206 2.427 1.00 59.34 ? 740 HOH A O 1 HETATM 4011 O O . HOH J 7 . ? 41.225 -28.861 -27.455 1.00 55.35 ? 741 HOH A O 1 HETATM 4012 O O . HOH J 7 . ? 29.411 -30.504 -14.567 1.00 67.29 ? 742 HOH A O 1 HETATM 4013 O O . HOH K 7 . ? 37.215 -47.467 -46.941 1.00 67.93 ? 601 HOH B O 1 HETATM 4014 O O . HOH K 7 . ? 36.979 -66.578 -65.022 1.00 77.25 ? 602 HOH B O 1 HETATM 4015 O O . HOH K 7 . ? 54.623 -37.952 -59.667 1.00 45.76 ? 603 HOH B O 1 HETATM 4016 O O . HOH K 7 . ? 50.322 -37.325 2.746 1.00 38.70 ? 604 HOH B O 1 HETATM 4017 O O . HOH K 7 . ? 52.369 -44.894 -59.240 1.00 48.56 ? 605 HOH B O 1 HETATM 4018 O O . HOH K 7 . ? 44.938 -41.817 -17.124 1.00 54.01 ? 606 HOH B O 1 HETATM 4019 O O . HOH K 7 . ? 40.647 -24.316 -50.416 1.00 57.07 ? 607 HOH B O 1 HETATM 4020 O O . HOH K 7 . ? 33.503 -49.501 -69.163 1.00 41.71 ? 608 HOH B O 1 HETATM 4021 O O . HOH K 7 . ? 32.456 -31.307 -50.946 1.00 49.40 ? 609 HOH B O 1 HETATM 4022 O O . HOH K 7 . ? 48.932 -41.826 -49.944 1.00 50.39 ? 610 HOH B O 1 HETATM 4023 O O . HOH K 7 . ? 38.789 -33.524 -52.791 1.00 40.72 ? 611 HOH B O 1 HETATM 4024 O O . HOH K 7 . ? 45.346 -50.536 -68.232 1.00 63.52 ? 612 HOH B O 1 HETATM 4025 O O . HOH K 7 . ? 48.186 -43.981 -45.962 1.00 45.56 ? 613 HOH B O 1 HETATM 4026 O O . HOH K 7 . ? 51.470 -37.793 -37.323 1.00 50.47 ? 614 HOH B O 1 HETATM 4027 O O . HOH K 7 . ? 30.594 -37.302 -46.730 1.00 54.14 ? 615 HOH B O 1 HETATM 4028 O O . HOH K 7 . ? 50.559 -25.958 -16.536 1.00 40.98 ? 616 HOH B O 1 HETATM 4029 O O . HOH K 7 . ? 44.979 -36.352 8.124 1.00 40.25 ? 617 HOH B O 1 HETATM 4030 O O . HOH K 7 . ? 46.060 -35.871 -33.701 1.00 32.99 ? 618 HOH B O 1 HETATM 4031 O O . HOH K 7 . ? 48.142 -28.342 -47.994 1.00 48.99 ? 619 HOH B O 1 HETATM 4032 O O . HOH K 7 . ? 47.582 -30.002 1.687 1.00 50.70 ? 620 HOH B O 1 HETATM 4033 O O . HOH K 7 . ? 49.058 -28.883 -39.640 1.00 32.77 ? 621 HOH B O 1 HETATM 4034 O O . HOH K 7 . ? 53.890 -43.162 -19.293 1.00 47.98 ? 622 HOH B O 1 HETATM 4035 O O . HOH K 7 . ? 53.579 -28.146 -40.040 1.00 45.92 ? 623 HOH B O 1 HETATM 4036 O O . HOH K 7 . ? 51.367 -48.590 -63.442 1.00 62.32 ? 624 HOH B O 1 HETATM 4037 O O . HOH K 7 . ? 50.675 -34.710 -68.724 1.00 59.77 ? 625 HOH B O 1 HETATM 4038 O O . HOH K 7 . ? 31.905 -45.605 -65.022 1.00 50.92 ? 626 HOH B O 1 HETATM 4039 O O . HOH K 7 . ? 54.975 -32.909 11.905 1.00 56.02 ? 627 HOH B O 1 HETATM 4040 O O . HOH K 7 . ? 44.257 -24.594 -18.976 1.00 54.44 ? 628 HOH B O 1 HETATM 4041 O O . HOH K 7 . ? 53.549 -47.067 -30.636 1.00 43.97 ? 629 HOH B O 1 HETATM 4042 O O . HOH K 7 . ? 55.563 -29.293 -50.116 1.00 74.51 ? 630 HOH B O 1 HETATM 4043 O O . HOH K 7 . ? 53.214 -37.887 -11.709 1.00 38.23 ? 631 HOH B O 1 HETATM 4044 O O . HOH K 7 . ? 44.870 -29.304 6.610 1.00 51.52 ? 632 HOH B O 1 HETATM 4045 O O . HOH K 7 . ? 51.844 -42.307 -44.559 1.00 40.51 ? 633 HOH B O 1 HETATM 4046 O O . HOH K 7 . ? 29.604 -42.721 -56.034 1.00 54.17 ? 634 HOH B O 1 HETATM 4047 O O . HOH K 7 . ? 50.737 -43.078 -8.452 1.00 61.55 ? 635 HOH B O 1 HETATM 4048 O O . HOH K 7 . ? 46.274 -37.021 -11.594 1.00 50.18 ? 636 HOH B O 1 HETATM 4049 O O . HOH K 7 . ? 44.695 -26.990 14.289 1.00 59.20 ? 637 HOH B O 1 HETATM 4050 O O . HOH K 7 . ? 44.255 -25.568 -58.182 1.00 61.48 ? 638 HOH B O 1 HETATM 4051 O O . HOH K 7 . ? 43.782 -49.482 -53.044 1.00 58.62 ? 639 HOH B O 1 HETATM 4052 O O . HOH K 7 . ? 47.000 -32.313 -7.938 1.00 44.63 ? 640 HOH B O 1 HETATM 4053 O O . HOH K 7 . ? 45.379 -42.390 4.420 1.00 63.57 ? 641 HOH B O 1 HETATM 4054 O O . HOH K 7 . ? 49.645 -43.075 -43.261 1.00 43.03 ? 642 HOH B O 1 HETATM 4055 O O . HOH K 7 . ? 33.956 -33.854 -58.260 1.00 60.68 ? 643 HOH B O 1 HETATM 4056 O O . HOH K 7 . ? 41.347 -49.406 -54.127 1.00 72.31 ? 644 HOH B O 1 HETATM 4057 O O . HOH K 7 . ? 36.113 -33.460 -59.076 1.00 60.49 ? 645 HOH B O 1 HETATM 4058 O O . HOH K 7 . ? 56.424 -28.172 -39.900 1.00 37.99 ? 646 HOH B O 1 HETATM 4059 O O . HOH K 7 . ? 46.342 -34.070 -9.678 1.00 40.15 ? 647 HOH B O 1 HETATM 4060 O O . HOH K 7 . ? 56.207 -30.529 11.024 1.00 43.31 ? 648 HOH B O 1 HETATM 4061 O O . HOH K 7 . ? 54.720 -33.584 15.154 1.00 63.33 ? 649 HOH B O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . ASP A 1 ? 0.4489 0.6218 0.4472 -0.0561 -0.0712 -0.0250 1 ASP A N 2 C CA . ASP A 1 ? 0.5404 0.7085 0.5415 -0.0578 -0.0681 -0.0288 1 ASP A CA 3 C C . ASP A 1 ? 0.6124 0.7756 0.6169 -0.0550 -0.0634 -0.0273 1 ASP A C 4 O O . ASP A 1 ? 0.5835 0.7440 0.5829 -0.0534 -0.0610 -0.0259 1 ASP A O 5 C CB . ASP A 1 ? 0.5975 0.7604 0.5894 -0.0604 -0.0674 -0.0337 1 ASP A CB 6 C CG . ASP A 1 ? 0.6902 0.8554 0.6803 -0.0650 -0.0715 -0.0369 1 ASP A CG 7 O OD1 . ASP A 1 ? 0.6332 0.8070 0.6282 -0.0661 -0.0755 -0.0347 1 ASP A OD1 8 O OD2 . ASP A 1 ? 0.7058 0.8642 0.6887 -0.0676 -0.0708 -0.0415 1 ASP A OD2 9 N N . LYS A 2 ? 0.6095 0.7725 0.6226 -0.0548 -0.0622 -0.0273 2 LYS A N 10 C CA . LYS A 2 ? 0.5970 0.7561 0.6137 -0.0522 -0.0582 -0.0254 2 LYS A CA 11 C C . LYS A 2 ? 0.5980 0.7542 0.6211 -0.0529 -0.0558 -0.0276 2 LYS A C 12 O O . LYS A 2 ? 0.5866 0.7453 0.6138 -0.0553 -0.0576 -0.0294 2 LYS A O 13 C CB . LYS A 2 ? 0.6486 0.8103 0.6688 -0.0492 -0.0596 -0.0202 2 LYS A CB 14 C CG . LYS A 2 ? 0.7162 0.8845 0.7432 -0.0486 -0.0633 -0.0191 2 LYS A CG 15 C CD . LYS A 2 ? 0.8335 1.0027 0.8612 -0.0444 -0.0649 -0.0141 2 LYS A CD 16 C CE . LYS A 2 ? 0.8312 0.9950 0.8631 -0.0420 -0.0616 -0.0122 2 LYS A CE 17 N NZ . LYS A 2 ? 0.9810 1.1439 1.0126 -0.0375 -0.0637 -0.0076 2 LYS A NZ 18 N N . ILE A 3 ? 0.5188 0.6701 0.5423 -0.0512 -0.0516 -0.0273 3 ILE A N 19 C CA . ILE A 3 ? 0.4756 0.6237 0.5050 -0.0513 -0.0491 -0.0288 3 ILE A CA 20 C C . ILE A 3 ? 0.5083 0.6552 0.5421 -0.0486 -0.0465 -0.0252 3 ILE A C 21 O O . ILE A 3 ? 0.5187 0.6643 0.5483 -0.0473 -0.0448 -0.0232 3 ILE A O 22 C CB . ILE A 3 ? 0.4284 0.5702 0.4525 -0.0522 -0.0465 -0.0332 3 ILE A CB 23 C CG1 . ILE A 3 ? 0.4245 0.5626 0.4542 -0.0529 -0.0445 -0.0348 3 ILE A CG1 24 C CG2 . ILE A 3 ? 0.4368 0.5765 0.4549 -0.0497 -0.0433 -0.0328 3 ILE A CG2 25 C CD1 . ILE A 3 ? 0.4313 0.5618 0.4547 -0.0544 -0.0434 -0.0396 3 ILE A CD1 26 N N . CYS A 4 ? 0.5078 0.6555 0.5494 -0.0481 -0.0463 -0.0244 4 CYS A N 27 C CA . CYS A 4 ? 0.4755 0.6212 0.5209 -0.0456 -0.0443 -0.0212 4 CYS A CA 28 C C . CYS A 4 ? 0.4261 0.5681 0.4758 -0.0458 -0.0409 -0.0229 4 CYS A C 29 O O . CYS A 4 ? 0.4247 0.5666 0.4767 -0.0476 -0.0410 -0.0260 4 CYS A O 30 C CB . CYS A 4 ? 0.5322 0.6817 0.5825 -0.0436 -0.0471 -0.0181 4 CYS A CB 31 S SG . CYS A 4 ? 0.6644 0.8180 0.7096 -0.0424 -0.0515 -0.0154 4 CYS A SG 32 N N . ILE A 5 ? 0.4751 0.6139 0.5253 -0.0442 -0.0381 -0.0209 5 ILE A N 33 C CA . ILE A 5 ? 0.4477 0.5833 0.5023 -0.0439 -0.0351 -0.0221 5 ILE A CA 34 C C . ILE A 5 ? 0.4535 0.5892 0.5140 -0.0422 -0.0353 -0.0191 5 ILE A C 35 O O . ILE A 5 ? 0.4633 0.5986 0.5219 -0.0408 -0.0365 -0.0158 5 ILE A O 36 C CB . ILE A 5 ? 0.4440 0.5768 0.4947 -0.0434 -0.0315 -0.0223 5 ILE A CB 37 C CG1 . ILE A 5 ? 0.4495 0.5814 0.4948 -0.0439 -0.0307 -0.0261 5 ILE A CG1 38 C CG2 . ILE A 5 ? 0.4024 0.5323 0.4579 -0.0426 -0.0286 -0.0221 5 ILE A CG2 39 C CD1 . ILE A 5 ? 0.5887 0.7233 0.6271 -0.0443 -0.0324 -0.0259 5 ILE A CD1 40 N N . GLY A 6 ? 0.3615 0.4971 0.4281 -0.0424 -0.0344 -0.0204 6 GLY A N 41 C CA . GLY A 6 ? 0.3614 0.4974 0.4333 -0.0402 -0.0345 -0.0181 6 GLY A CA 42 C C . GLY A 6 ? 0.3900 0.5249 0.4676 -0.0406 -0.0322 -0.0196 6 GLY A C 43 O O . GLY A 6 ? 0.3699 0.5022 0.4468 -0.0425 -0.0303 -0.0223 6 GLY A O 44 N N . TYR A 7 ? 0.3308 0.4671 0.4134 -0.0385 -0.0325 -0.0179 7 TYR A N 45 C CA . TYR A 7 ? 0.3395 0.4746 0.4273 -0.0386 -0.0301 -0.0188 7 TYR A CA 46 C C . TYR A 7 ? 0.3591 0.5008 0.4533 -0.0372 -0.0315 -0.0184 7 TYR A C 47 O O . TYR A 7 ? 0.3624 0.5091 0.4571 -0.0348 -0.0342 -0.0167 7 TYR A O 48 C CB . TYR A 7 ? 0.3092 0.4378 0.3955 -0.0369 -0.0276 -0.0169 7 TYR A CB 49 C CG . TYR A 7 ? 0.2997 0.4260 0.3827 -0.0341 -0.0290 -0.0135 7 TYR A CG 50 C CD1 . TYR A 7 ? 0.3047 0.4283 0.3809 -0.0347 -0.0298 -0.0119 7 TYR A CD1 51 C CD2 . TYR A 7 ? 0.3188 0.4448 0.4044 -0.0307 -0.0297 -0.0118 7 TYR A CD2 52 C CE1 . TYR A 7 ? 0.3065 0.4260 0.3780 -0.0328 -0.0314 -0.0086 7 TYR A CE1 53 C CE2 . TYR A 7 ? 0.2887 0.4100 0.3692 -0.0278 -0.0313 -0.0087 7 TYR A CE2 54 C CZ . TYR A 7 ? 0.3195 0.4368 0.3926 -0.0292 -0.0323 -0.0070 7 TYR A CZ 55 O OH . TYR A 7 ? 0.3368 0.4478 0.4034 -0.0269 -0.0341 -0.0037 7 TYR A OH 56 N N . HIS A 8 ? 0.3988 0.5411 0.4977 -0.0387 -0.0295 -0.0198 8 HIS A N 57 C CA . HIS A 8 ? 0.4033 0.5536 0.5089 -0.0380 -0.0302 -0.0196 8 HIS A CA 58 C C . HIS A 8 ? 0.4342 0.5856 0.5417 -0.0324 -0.0305 -0.0169 8 HIS A C 59 O O . HIS A 8 ? 0.4610 0.6045 0.5659 -0.0302 -0.0287 -0.0156 8 HIS A O 60 C CB . HIS A 8 ? 0.4472 0.5959 0.5561 -0.0412 -0.0276 -0.0215 8 HIS A CB 61 C CG . HIS A 8 ? 0.5499 0.7081 0.6657 -0.0417 -0.0280 -0.0215 8 HIS A CG 62 N ND1 . HIS A 8 ? 0.4978 0.6662 0.6162 -0.0446 -0.0306 -0.0222 8 HIS A ND1 63 C CD2 . HIS A 8 ? 0.4742 0.6340 0.5947 -0.0402 -0.0260 -0.0209 8 HIS A CD2 64 C CE1 . HIS A 8 ? 0.5098 0.6869 0.6345 -0.0448 -0.0302 -0.0218 8 HIS A CE1 65 N NE2 . HIS A 8 ? 0.4838 0.6557 0.6099 -0.0419 -0.0272 -0.0211 8 HIS A NE2 66 N N . ALA A 9 ? 0.4206 0.5820 0.5320 -0.0301 -0.0328 -0.0161 9 ALA A N 67 C CA . ALA A 9 ? 0.3738 0.5374 0.4875 -0.0239 -0.0329 -0.0141 9 ALA A CA 68 C C . ALA A 9 ? 0.3728 0.5500 0.4945 -0.0242 -0.0332 -0.0148 9 ALA A C 69 O O . ALA A 9 ? 0.4348 0.6201 0.5592 -0.0291 -0.0344 -0.0163 9 ALA A O 70 C CB . ALA A 9 ? 0.3443 0.5068 0.4531 -0.0188 -0.0359 -0.0116 9 ALA A CB 71 N N . ASN A 10 ? 0.3836 0.5634 0.5085 -0.0194 -0.0320 -0.0138 10 ASN A N 72 C CA . ASN A 10 ? 0.3587 0.5534 0.4915 -0.0194 -0.0320 -0.0143 10 ASN A CA 73 C C . ASN A 10 ? 0.3865 0.5853 0.5208 -0.0107 -0.0320 -0.0125 10 ASN A C 74 O O . ASN A 10 ? 0.4214 0.6111 0.5495 -0.0048 -0.0329 -0.0108 10 ASN A O 75 C CB . ASN A 10 ? 0.3008 0.4952 0.4373 -0.0257 -0.0290 -0.0161 10 ASN A CB 76 C CG . ASN A 10 ? 0.4247 0.6074 0.5594 -0.0236 -0.0256 -0.0159 10 ASN A CG 77 O OD1 . ASN A 10 ? 0.4119 0.5889 0.5436 -0.0173 -0.0253 -0.0144 10 ASN A OD1 78 N ND2 . ASN A 10 ? 0.3143 0.4931 0.4500 -0.0292 -0.0231 -0.0175 10 ASN A ND2 79 N N . ASN A 11 ? 0.4083 0.6204 0.5498 -0.0099 -0.0310 -0.0128 11 ASN A N 80 C CA . ASN A 11 ? 0.5246 0.7428 0.6674 -0.0005 -0.0312 -0.0113 11 ASN A CA 81 C C . ASN A 11 ? 0.5197 0.7292 0.6615 0.0025 -0.0277 -0.0114 11 ASN A C 82 O O . ASN A 11 ? 0.5556 0.7713 0.6992 0.0097 -0.0271 -0.0107 11 ASN A O 83 C CB . ASN A 11 ? 0.4685 0.7099 0.6198 0.0001 -0.0325 -0.0112 11 ASN A CB 84 C CG . ASN A 11 ? 0.6259 0.8767 0.7843 -0.0077 -0.0300 -0.0127 11 ASN A CG 85 O OD1 . ASN A 11 ? 0.6079 0.8476 0.7650 -0.0121 -0.0271 -0.0138 11 ASN A OD1 86 N ND2 . ASN A 11 ? 0.7182 0.9901 0.8838 -0.0097 -0.0314 -0.0126 11 ASN A ND2 87 N N . SER A 12 ? 0.5372 0.7327 0.6759 -0.0027 -0.0254 -0.0123 12 SER A N 88 C CA . SER A 12 ? 0.5412 0.7276 0.6786 -0.0011 -0.0222 -0.0124 12 SER A CA 89 C C . SER A 12 ? 0.5009 0.6764 0.6310 0.0076 -0.0226 -0.0108 12 SER A C 90 O O . SER A 12 ? 0.4825 0.6490 0.6056 0.0097 -0.0249 -0.0096 12 SER A O 91 C CB . SER A 12 ? 0.5387 0.7127 0.6734 -0.0083 -0.0202 -0.0135 12 SER A CB 92 O OG . SER A 12 ? 0.5382 0.7022 0.6705 -0.0067 -0.0175 -0.0134 12 SER A OG 93 N N . THR A 13 ? 0.4661 0.6421 0.5970 0.0126 -0.0206 -0.0109 13 THR A N 94 C CA . THR A 13 ? 0.5003 0.6630 0.6226 0.0206 -0.0208 -0.0097 13 THR A CA 95 C C . THR A 13 ? 0.4971 0.6476 0.6167 0.0183 -0.0177 -0.0103 13 THR A C 96 O O . THR A 13 ? 0.5508 0.6892 0.6629 0.0237 -0.0174 -0.0096 13 THR A O 97 C CB . THR A 13 ? 0.5395 0.7123 0.6629 0.0310 -0.0215 -0.0091 13 THR A CB 98 O OG1 . THR A 13 ? 0.5265 0.7146 0.6591 0.0300 -0.0189 -0.0103 13 THR A OG1 99 C CG2 . THR A 13 ? 0.4950 0.6784 0.6192 0.0348 -0.0252 -0.0081 13 THR A CG2 100 N N . THR A 14 ? 0.4905 0.6438 0.6156 0.0103 -0.0154 -0.0116 14 THR A N 101 C CA . THR A 14 ? 0.4639 0.6073 0.5872 0.0074 -0.0125 -0.0122 14 THR A CA 102 C C . THR A 14 ? 0.4746 0.6006 0.5891 0.0052 -0.0130 -0.0113 14 THR A C 103 O O . THR A 14 ? 0.5062 0.6304 0.6194 0.0011 -0.0145 -0.0111 14 THR A O 104 C CB . THR A 14 ? 0.4877 0.6384 0.6183 -0.0003 -0.0103 -0.0136 14 THR A CB 105 O OG1 . THR A 14 ? 0.5325 0.7002 0.6708 0.0006 -0.0099 -0.0141 14 THR A OG1 106 C CG2 . THR A 14 ? 0.4229 0.5638 0.5515 -0.0027 -0.0074 -0.0141 14 THR A CG2 107 N N . GLN A 15 ? 0.4161 0.5301 0.5246 0.0076 -0.0118 -0.0109 15 GLN A N 108 C CA . GLN A 15 ? 0.4012 0.4994 0.5005 0.0054 -0.0126 -0.0097 15 GLN A CA 109 C C . GLN A 15 ? 0.3905 0.4820 0.4893 0.0003 -0.0100 -0.0103 15 GLN A C 110 O O . GLN A 15 ? 0.3451 0.4408 0.4486 0.0000 -0.0075 -0.0114 15 GLN A O 111 C CB . GLN A 15 ? 0.3729 0.4598 0.4621 0.0124 -0.0145 -0.0083 15 GLN A CB 112 C CG . GLN A 15 ? 0.4641 0.5580 0.5534 0.0193 -0.0171 -0.0077 15 GLN A CG 113 C CD . GLN A 15 ? 0.5724 0.6523 0.6495 0.0268 -0.0194 -0.0061 15 GLN A CD 114 O OE1 . GLN A 15 ? 0.6443 0.7147 0.7156 0.0304 -0.0183 -0.0063 15 GLN A OE1 115 N NE2 . GLN A 15 ? 0.5844 0.6618 0.6563 0.0291 -0.0226 -0.0046 15 GLN A NE2 116 N N . VAL A 16 ? 0.3985 0.4803 0.4913 -0.0040 -0.0107 -0.0093 16 VAL A N 117 C CA . VAL A 16 ? 0.3285 0.4036 0.4195 -0.0085 -0.0086 -0.0095 16 VAL A CA 118 C C . VAL A 16 ? 0.3645 0.4255 0.4445 -0.0092 -0.0101 -0.0075 16 VAL A C 119 O O . VAL A 16 ? 0.3738 0.4300 0.4476 -0.0073 -0.0128 -0.0061 16 VAL A O 120 C CB . VAL A 16 ? 0.3049 0.3855 0.4010 -0.0149 -0.0075 -0.0103 16 VAL A CB 121 C CG1 . VAL A 16 ? 0.2690 0.3614 0.3741 -0.0155 -0.0063 -0.0121 16 VAL A CG1 122 C CG2 . VAL A 16 ? 0.2860 0.3652 0.3783 -0.0174 -0.0096 -0.0093 16 VAL A CG2 123 N N . ASP A 17 ? 0.3468 0.4011 0.4238 -0.0123 -0.0086 -0.0074 17 ASP A N 124 C CA . ASP A 17 ? 0.3700 0.4115 0.4363 -0.0150 -0.0100 -0.0055 17 ASP A CA 125 C C . ASP A 17 ? 0.3745 0.4186 0.4420 -0.0222 -0.0092 -0.0050 17 ASP A C 126 O O . ASP A 17 ? 0.3668 0.4188 0.4418 -0.0243 -0.0070 -0.0064 17 ASP A O 127 C CB . ASP A 17 ? 0.3514 0.3826 0.4115 -0.0131 -0.0093 -0.0054 17 ASP A CB 128 C CG . ASP A 17 ? 0.4576 0.4836 0.5131 -0.0050 -0.0105 -0.0056 17 ASP A CG 129 O OD1 . ASP A 17 ? 0.5995 0.6267 0.6536 -0.0014 -0.0126 -0.0049 17 ASP A OD1 130 O OD2 . ASP A 17 ? 0.5467 0.5674 0.5994 -0.0018 -0.0094 -0.0063 17 ASP A OD2 131 N N . THR A 18 ? 0.4018 0.4394 0.4614 -0.0257 -0.0111 -0.0029 18 THR A N 132 C CA . THR A 18 ? 0.4161 0.4567 0.4755 -0.0323 -0.0104 -0.0021 18 THR A CA 133 C C . THR A 18 ? 0.4843 0.5134 0.5330 -0.0363 -0.0114 0.0001 18 THR A C 134 O O . THR A 18 ? 0.4762 0.4935 0.5167 -0.0338 -0.0129 0.0009 18 THR A O 135 C CB . THR A 18 ? 0.4381 0.4851 0.4986 -0.0343 -0.0115 -0.0015 18 THR A CB 136 O OG1 . THR A 18 ? 0.4989 0.5370 0.5490 -0.0362 -0.0142 0.0011 18 THR A OG1 137 C CG2 . THR A 18 ? 0.3983 0.4528 0.4658 -0.0299 -0.0118 -0.0033 18 THR A CG2 138 N N . LEU A 19 ? 0.4942 0.5270 0.5424 -0.0425 -0.0107 0.0011 19 LEU A N 139 C CA . LEU A 19 ? 0.4738 0.4972 0.5115 -0.0479 -0.0120 0.0035 19 LEU A CA 140 C C . LEU A 19 ? 0.4791 0.4924 0.5058 -0.0494 -0.0152 0.0060 19 LEU A C 141 O O . LEU A 19 ? 0.5345 0.5340 0.5497 -0.0515 -0.0170 0.0077 19 LEU A O 142 C CB . LEU A 19 ? 0.4143 0.4471 0.4547 -0.0543 -0.0106 0.0042 19 LEU A CB 143 C CG . LEU A 19 ? 0.4497 0.4873 0.4953 -0.0549 -0.0082 0.0029 19 LEU A CG 144 C CD1 . LEU A 19 ? 0.5081 0.5570 0.5561 -0.0602 -0.0072 0.0038 19 LEU A CD1 145 C CD2 . LEU A 19 ? 0.4347 0.4599 0.4724 -0.0560 -0.0090 0.0036 19 LEU A CD2 146 N N . LEU A 20 ? 0.4715 0.4905 0.5006 -0.0483 -0.0160 0.0062 20 LEU A N 147 C CA . LEU A 20 ? 0.5140 0.5240 0.5325 -0.0499 -0.0191 0.0088 20 LEU A CA 148 C C . LEU A 20 ? 0.5267 0.5274 0.5411 -0.0425 -0.0211 0.0085 20 LEU A C 149 O O . LEU A 20 ? 0.5301 0.5188 0.5328 -0.0430 -0.0240 0.0108 20 LEU A O 150 C CB . LEU A 20 ? 0.4325 0.4536 0.4545 -0.0529 -0.0191 0.0095 20 LEU A CB 151 C CG . LEU A 20 ? 0.4952 0.5273 0.5202 -0.0597 -0.0174 0.0101 20 LEU A CG 152 C CD1 . LEU A 20 ? 0.3874 0.4295 0.4150 -0.0609 -0.0175 0.0105 20 LEU A CD1 153 C CD2 . LEU A 20 ? 0.4585 0.4824 0.4727 -0.0672 -0.0186 0.0131 20 LEU A CD2 154 N N . GLU A 21 ? 0.5498 0.5561 0.5731 -0.0356 -0.0197 0.0058 21 GLU A N 155 C CA . GLU A 21 ? 0.5182 0.5213 0.5404 -0.0279 -0.0214 0.0054 21 GLU A CA 156 C C . GLU A 21 ? 0.5071 0.5140 0.5366 -0.0209 -0.0197 0.0028 21 GLU A C 157 O O . GLU A 21 ? 0.4863 0.5051 0.5270 -0.0215 -0.0170 0.0007 21 GLU A O 158 C CB . GLU A 21 ? 0.5176 0.5317 0.5457 -0.0274 -0.0221 0.0053 21 GLU A CB 159 C CG . GLU A 21 ? 0.6285 0.6379 0.6516 -0.0214 -0.0250 0.0061 21 GLU A CG 160 C CD . GLU A 21 ? 0.7438 0.7629 0.7709 -0.0227 -0.0260 0.0065 21 GLU A CD 161 O OE1 . GLU A 21 ? 0.7805 0.7985 0.8052 -0.0174 -0.0284 0.0070 21 GLU A OE1 162 O OE2 . GLU A 21 ? 0.7095 0.7374 0.7416 -0.0285 -0.0245 0.0061 21 GLU A OE2 163 N N . LYS A 22 ? 0.5296 0.5262 0.5519 -0.0143 -0.0212 0.0030 22 LYS A N 164 C CA . LYS A 22 ? 0.4910 0.4926 0.5198 -0.0070 -0.0196 0.0007 22 LYS A CA 165 C C . LYS A 22 ? 0.4492 0.4610 0.4843 -0.0006 -0.0205 -0.0001 22 LYS A C 166 O O . LYS A 22 ? 0.4721 0.4816 0.5026 0.0002 -0.0231 0.0015 22 LYS A O 167 C CB . LYS A 22 ? 0.4942 0.4795 0.5113 -0.0024 -0.0204 0.0009 22 LYS A CB 168 C CG . LYS A 22 ? 0.5641 0.5416 0.5769 -0.0080 -0.0190 0.0009 22 LYS A CG 169 C CD . LYS A 22 ? 0.6811 0.6413 0.6810 -0.0029 -0.0201 0.0009 22 LYS A CD 170 C CE . LYS A 22 ? 0.8073 0.7593 0.8020 -0.0093 -0.0191 0.0011 22 LYS A CE 171 N NZ . LYS A 22 ? 0.9683 0.9041 0.9511 -0.0039 -0.0197 0.0004 22 LYS A NZ 172 N N . ASN A 23 ? 0.5620 0.5859 0.6078 0.0036 -0.0184 -0.0023 23 ASN A N 173 C CA . ASN A 23 ? 0.5678 0.6020 0.6190 0.0104 -0.0194 -0.0029 23 ASN A CA 174 C C . ASN A 23 ? 0.5474 0.5909 0.6033 0.0073 -0.0208 -0.0024 23 ASN A C 175 O O . ASN A 23 ? 0.4656 0.5073 0.5169 0.0113 -0.0237 -0.0012 23 ASN A O 176 C CB . ASN A 23 ? 0.6252 0.6475 0.6650 0.0191 -0.0219 -0.0019 23 ASN A CB 177 C CG . ASN A 23 ? 0.7513 0.7721 0.7907 0.0258 -0.0201 -0.0034 23 ASN A CG 178 O OD1 . ASN A 23 ? 0.8053 0.8377 0.8552 0.0246 -0.0171 -0.0052 23 ASN A OD1 179 N ND2 . ASN A 23 ? 0.7915 0.7976 0.8180 0.0331 -0.0221 -0.0026 23 ASN A ND2 180 N N . VAL A 24 ? 0.4748 0.5274 0.5390 0.0006 -0.0190 -0.0034 24 VAL A N 181 C CA . VAL A 24 ? 0.4140 0.4755 0.4827 -0.0028 -0.0200 -0.0034 24 VAL A CA 182 C C . VAL A 24 ? 0.4404 0.5182 0.5212 -0.0016 -0.0189 -0.0056 24 VAL A C 183 O O . VAL A 24 ? 0.4176 0.5011 0.5053 -0.0043 -0.0162 -0.0072 24 VAL A O 184 C CB . VAL A 24 ? 0.4411 0.5014 0.5096 -0.0109 -0.0188 -0.0032 24 VAL A CB 185 C CG1 . VAL A 24 ? 0.3501 0.4188 0.4221 -0.0138 -0.0197 -0.0035 24 VAL A CG1 186 C CG2 . VAL A 24 ? 0.5046 0.5503 0.5613 -0.0135 -0.0198 -0.0009 24 VAL A CG2 187 N N . THR A 25 ? 0.4063 0.4914 0.4889 0.0020 -0.0211 -0.0053 25 THR A N 188 C CA . THR A 25 ? 0.3654 0.4667 0.4586 0.0021 -0.0206 -0.0071 25 THR A CA 189 C C . THR A 25 ? 0.3780 0.4844 0.4758 -0.0055 -0.0198 -0.0083 25 THR A C 190 O O . THR A 25 ? 0.3388 0.4412 0.4322 -0.0084 -0.0211 -0.0075 25 THR A O 191 C CB . THR A 25 ? 0.3920 0.5005 0.4853 0.0079 -0.0237 -0.0063 25 THR A CB 192 O OG1 . THR A 25 ? 0.4295 0.5309 0.5163 0.0160 -0.0247 -0.0051 25 THR A OG1 193 C CG2 . THR A 25 ? 0.3281 0.4547 0.4324 0.0076 -0.0232 -0.0079 25 THR A CG2 194 N N . VAL A 26 ? 0.3212 0.4358 0.4270 -0.0084 -0.0175 -0.0102 26 VAL A N 195 C CA . VAL A 26 ? 0.3377 0.4557 0.4466 -0.0149 -0.0168 -0.0117 26 VAL A CA 196 C C . VAL A 26 ? 0.4204 0.5514 0.5371 -0.0165 -0.0170 -0.0133 26 VAL A C 197 O O . VAL A 26 ? 0.4025 0.5411 0.5239 -0.0138 -0.0165 -0.0135 26 VAL A O 198 C CB . VAL A 26 ? 0.3570 0.4689 0.4657 -0.0187 -0.0138 -0.0125 26 VAL A CB 199 C CG1 . VAL A 26 ? 0.3107 0.4110 0.4115 -0.0189 -0.0139 -0.0108 26 VAL A CG1 200 C CG2 . VAL A 26 ? 0.3100 0.4245 0.4233 -0.0175 -0.0115 -0.0133 26 VAL A CG2 201 N N . THR A 27 ? 0.3718 0.5055 0.4891 -0.0212 -0.0178 -0.0144 27 THR A N 202 C CA . THR A 27 ? 0.3675 0.5126 0.4904 -0.0240 -0.0186 -0.0158 27 THR A CA 203 C C . THR A 27 ? 0.4274 0.5756 0.5552 -0.0272 -0.0161 -0.0172 27 THR A C 204 O O . THR A 27 ? 0.4679 0.6271 0.6012 -0.0282 -0.0165 -0.0177 27 THR A O 205 C CB . THR A 27 ? 0.3884 0.5330 0.5088 -0.0284 -0.0201 -0.0169 27 THR A CB 206 O OG1 . THR A 27 ? 0.3221 0.4584 0.4398 -0.0320 -0.0179 -0.0180 27 THR A OG1 207 C CG2 . THR A 27 ? 0.3269 0.4691 0.4422 -0.0257 -0.0227 -0.0153 27 THR A CG2 208 N N . HIS A 28 ? 0.4214 0.5606 0.5470 -0.0292 -0.0137 -0.0178 28 HIS A N 209 C CA . HIS A 28 ? 0.3529 0.4929 0.4818 -0.0322 -0.0112 -0.0189 28 HIS A CA 210 C C . HIS A 28 ? 0.4151 0.5459 0.5416 -0.0305 -0.0087 -0.0183 28 HIS A C 211 O O . HIS A 28 ? 0.4003 0.5230 0.5220 -0.0297 -0.0087 -0.0177 28 HIS A O 212 C CB . HIS A 28 ? 0.2978 0.4361 0.4257 -0.0383 -0.0111 -0.0208 28 HIS A CB 213 C CG . HIS A 28 ? 0.4443 0.5903 0.5732 -0.0410 -0.0138 -0.0215 28 HIS A CG 214 N ND1 . HIS A 28 ? 0.4124 0.5570 0.5376 -0.0404 -0.0160 -0.0215 28 HIS A ND1 215 C CD2 . HIS A 28 ? 0.3138 0.4692 0.4465 -0.0448 -0.0148 -0.0222 28 HIS A CD2 216 C CE1 . HIS A 28 ? 0.4192 0.5717 0.5459 -0.0434 -0.0183 -0.0222 28 HIS A CE1 217 N NE2 . HIS A 28 ? 0.4561 0.6155 0.5874 -0.0464 -0.0177 -0.0227 28 HIS A NE2 218 N N . SER A 29 ? 0.4276 0.5605 0.5575 -0.0303 -0.0067 -0.0185 29 SER A N 219 C CA . SER A 29 ? 0.3510 0.4761 0.4789 -0.0290 -0.0043 -0.0181 29 SER A CA 220 C C . SER A 29 ? 0.4011 0.5295 0.5329 -0.0312 -0.0020 -0.0188 29 SER A C 221 O O . SER A 29 ? 0.4187 0.5566 0.5549 -0.0332 -0.0023 -0.0193 29 SER A O 222 C CB . SER A 29 ? 0.3431 0.4651 0.4684 -0.0233 -0.0048 -0.0165 29 SER A CB 223 O OG . SER A 29 ? 0.4405 0.5716 0.5697 -0.0196 -0.0053 -0.0162 29 SER A OG 224 N N . VAL A 30 ? 0.4876 0.6087 0.6174 -0.0313 0.0002 -0.0188 30 VAL A N 225 C CA . VAL A 30 ? 0.4538 0.5771 0.5865 -0.0331 0.0024 -0.0192 30 VAL A CA 226 C C . VAL A 30 ? 0.4350 0.5540 0.5663 -0.0291 0.0041 -0.0183 30 VAL A C 227 O O . VAL A 30 ? 0.4533 0.5637 0.5800 -0.0275 0.0040 -0.0177 30 VAL A O 228 C CB . VAL A 30 ? 0.4799 0.5975 0.6106 -0.0381 0.0035 -0.0203 30 VAL A CB 229 C CG1 . VAL A 30 ? 0.4604 0.5681 0.5861 -0.0372 0.0038 -0.0201 30 VAL A CG1 230 C CG2 . VAL A 30 ? 0.4854 0.6044 0.6182 -0.0403 0.0057 -0.0204 30 VAL A CG2 231 N N . GLU A 31 ? 0.4428 0.5683 0.5776 -0.0276 0.0055 -0.0182 31 GLU A N 232 C CA . GLU A 31 ? 0.4022 0.5237 0.5352 -0.0239 0.0073 -0.0177 31 GLU A CA 233 C C . GLU A 31 ? 0.3991 0.5163 0.5318 -0.0276 0.0097 -0.0181 31 GLU A C 234 O O . GLU A 31 ? 0.4219 0.5444 0.5578 -0.0318 0.0106 -0.0186 31 GLU A O 235 C CB . GLU A 31 ? 0.4271 0.5586 0.5636 -0.0194 0.0078 -0.0175 31 GLU A CB 236 C CG . GLU A 31 ? 0.4506 0.5790 0.5854 -0.0159 0.0101 -0.0173 31 GLU A CG 237 C CD . GLU A 31 ? 0.4983 0.6139 0.6257 -0.0119 0.0095 -0.0168 31 GLU A CD 238 O OE1 . GLU A 31 ? 0.5216 0.6278 0.6455 -0.0144 0.0105 -0.0167 31 GLU A OE1 239 O OE2 . GLU A 31 ? 0.4874 0.6018 0.6118 -0.0064 0.0079 -0.0163 31 GLU A OE2 240 N N . LEU A 32 ? 0.4164 0.5240 0.5446 -0.0264 0.0106 -0.0177 32 LEU A N 241 C CA . LEU A 32 ? 0.4163 0.5189 0.5433 -0.0296 0.0125 -0.0179 32 LEU A CA 242 C C . LEU A 32 ? 0.4283 0.5308 0.5553 -0.0277 0.0148 -0.0177 32 LEU A C 243 O O . LEU A 32 ? 0.4220 0.5218 0.5484 -0.0303 0.0165 -0.0178 32 LEU A O 244 C CB . LEU A 32 ? 0.4047 0.4982 0.5269 -0.0303 0.0119 -0.0176 32 LEU A CB 245 C CG . LEU A 32 ? 0.3853 0.4776 0.5063 -0.0320 0.0101 -0.0179 32 LEU A CG 246 C CD1 . LEU A 32 ? 0.3655 0.4508 0.4818 -0.0321 0.0100 -0.0172 32 LEU A CD1 247 C CD2 . LEU A 32 ? 0.3044 0.3987 0.4270 -0.0358 0.0102 -0.0190 32 LEU A CD2 248 N N . LEU A 33 ? 0.4539 0.5586 0.5805 -0.0227 0.0147 -0.0174 33 LEU A N 249 C CA . LEU A 33 ? 0.4968 0.6007 0.6222 -0.0198 0.0167 -0.0174 33 LEU A CA 250 C C . LEU A 33 ? 0.5010 0.6174 0.6315 -0.0179 0.0181 -0.0177 33 LEU A C 251 O O . LEU A 33 ? 0.5625 0.6870 0.6958 -0.0152 0.0168 -0.0177 33 LEU A O 252 C CB . LEU A 33 ? 0.5160 0.6111 0.6350 -0.0149 0.0158 -0.0170 33 LEU A CB 253 C CG . LEU A 33 ? 0.4848 0.5762 0.6002 -0.0113 0.0176 -0.0172 33 LEU A CG 254 C CD1 . LEU A 33 ? 0.4684 0.5463 0.5756 -0.0109 0.0166 -0.0167 33 LEU A CD1 255 C CD2 . LEU A 33 ? 0.4574 0.5554 0.5735 -0.0046 0.0178 -0.0175 33 LEU A CD2 256 N N . GLU A 34 ? 0.5074 0.6262 0.6391 -0.0193 0.0206 -0.0177 34 GLU A N 257 C CA . GLU A 34 ? 0.4674 0.5990 0.6034 -0.0173 0.0224 -0.0178 34 GLU A CA 258 C C . GLU A 34 ? 0.4381 0.5681 0.5707 -0.0102 0.0237 -0.0180 34 GLU A C 259 O O . GLU A 34 ? 0.4683 0.5881 0.5958 -0.0099 0.0248 -0.0181 34 GLU A O 260 C CB . GLU A 34 ? 0.5138 0.6503 0.6528 -0.0236 0.0246 -0.0176 34 GLU A CB 261 C CG . GLU A 34 ? 0.5681 0.7207 0.7123 -0.0227 0.0264 -0.0174 34 GLU A CG 262 C CD . GLU A 34 ? 0.6254 0.7910 0.7746 -0.0210 0.0245 -0.0174 34 GLU A CD 263 O OE1 . GLU A 34 ? 0.6219 0.7934 0.7746 -0.0273 0.0234 -0.0172 34 GLU A OE1 264 O OE2 . GLU A 34 ? 0.6139 0.7831 0.7628 -0.0132 0.0240 -0.0176 34 GLU A OE2 265 N N . ASN A 35 ? 0.4750 0.6150 0.6097 -0.0043 0.0236 -0.0182 35 ASN A N 266 C CA . ASN A 35 ? 0.4882 0.6270 0.6187 0.0036 0.0250 -0.0187 35 ASN A CA 267 C C . ASN A 35 ? 0.4987 0.6553 0.6349 0.0060 0.0275 -0.0188 35 ASN A C 268 O O . ASN A 35 ? 0.5472 0.7059 0.6805 0.0140 0.0286 -0.0194 35 ASN A O 269 C CB . ASN A 35 ? 0.3917 0.5239 0.5168 0.0111 0.0224 -0.0188 35 ASN A CB 270 C CG . ASN A 35 ? 0.4964 0.6413 0.6268 0.0133 0.0206 -0.0185 35 ASN A CG 271 O OD1 . ASN A 35 ? 0.4492 0.6086 0.5877 0.0086 0.0210 -0.0183 35 ASN A OD1 272 N ND2 . ASN A 35 ? 0.4311 0.5700 0.5561 0.0202 0.0182 -0.0185 35 ASN A ND2 273 N N . GLN A 36 ? 0.5549 0.7237 0.6983 -0.0011 0.0284 -0.0183 36 GLN A N 274 C CA . GLN A 36 ? 0.6022 0.7909 0.7519 -0.0007 0.0306 -0.0180 36 GLN A CA 275 C C . GLN A 36 ? 0.5616 0.7522 0.7122 -0.0066 0.0337 -0.0176 36 GLN A C 276 O O . GLN A 36 ? 0.5611 0.7444 0.7112 -0.0149 0.0335 -0.0171 36 GLN A O 277 C CB . GLN A 36 ? 0.6113 0.8149 0.7684 -0.0051 0.0289 -0.0174 36 GLN A CB 278 C CG . GLN A 36 ? 0.7327 0.9569 0.8951 0.0011 0.0292 -0.0172 36 GLN A CG 279 C CD . GLN A 36 ? 0.7550 0.9741 0.9130 0.0123 0.0274 -0.0178 36 GLN A CD 280 O OE1 . GLN A 36 ? 0.7517 0.9545 0.9044 0.0131 0.0250 -0.0181 36 GLN A OE1 281 N NE2 . GLN A 36 ? 0.8679 1.1009 1.0274 0.0212 0.0286 -0.0181 36 GLN A NE2 282 N N . LYS A 37 ? 0.5804 0.7811 0.7317 -0.0021 0.0365 -0.0177 37 LYS A N 283 C CA . LYS A 37 ? 0.5932 0.7972 0.7448 -0.0070 0.0398 -0.0172 37 LYS A CA 284 C C . LYS A 37 ? 0.5279 0.7562 0.6865 -0.0074 0.0420 -0.0165 37 LYS A C 285 O O . LYS A 37 ? 0.5353 0.7771 0.6970 0.0001 0.0419 -0.0169 37 LYS A O 286 C CB . LYS A 37 ? 0.4796 0.6712 0.6237 -0.0009 0.0415 -0.0181 37 LYS A CB 287 C CG . LYS A 37 ? 0.5745 0.7595 0.7135 0.0100 0.0400 -0.0193 37 LYS A CG 288 C CD . LYS A 37 ? 0.5346 0.7138 0.6666 0.0177 0.0422 -0.0204 37 LYS A CD 289 C CE . LYS A 37 ? 0.5944 0.7662 0.7201 0.0285 0.0401 -0.0216 37 LYS A CE 290 N NZ . LYS A 37 ? 0.7847 0.9483 0.9014 0.0370 0.0417 -0.0229 37 LYS A NZ 291 N N . GLU A 38 ? 0.5656 0.7999 0.7264 -0.0162 0.0441 -0.0154 38 GLU A N 292 C CA . GLU A 38 ? 0.5232 0.7796 0.6891 -0.0167 0.0471 -0.0146 38 GLU A CA 293 C C . GLU A 38 ? 0.5856 0.8369 0.7464 -0.0118 0.0504 -0.0152 38 GLU A C 294 O O . GLU A 38 ? 0.5678 0.8057 0.7240 -0.0172 0.0513 -0.0148 38 GLU A O 295 C CB . GLU A 38 ? 0.5428 0.8084 0.7127 -0.0299 0.0476 -0.0128 38 GLU A CB 296 C CG . GLU A 38 ? 0.5825 0.8508 0.7561 -0.0363 0.0442 -0.0123 38 GLU A CG 297 C CD . GLU A 38 ? 0.6602 0.9309 0.8345 -0.0503 0.0442 -0.0107 38 GLU A CD 298 O OE1 . GLU A 38 ? 0.6435 0.9147 0.8158 -0.0552 0.0468 -0.0097 38 GLU A OE1 299 O OE2 . GLU A 38 ? 0.7537 1.0246 0.9296 -0.0565 0.0413 -0.0104 38 GLU A OE2 300 N N . LYS A 39 ? 0.6409 0.9023 0.8015 -0.0010 0.0520 -0.0161 39 LYS A N 301 C CA . LYS A 39 ? 0.6165 0.8716 0.7709 0.0052 0.0549 -0.0171 39 LYS A CA 302 C C . LYS A 39 ? 0.6614 0.9293 0.8180 -0.0010 0.0587 -0.0158 39 LYS A C 303 O O . LYS A 39 ? 0.6746 0.9602 0.8332 0.0047 0.0617 -0.0160 39 LYS A O 304 C CB . LYS A 39 ? 0.5950 0.8558 0.7471 0.0195 0.0553 -0.0187 39 LYS A CB 305 C CG . LYS A 39 ? 0.6527 0.9009 0.8016 0.0255 0.0515 -0.0197 39 LYS A CG 306 C CD . LYS A 39 ? 0.7219 0.9574 0.8612 0.0383 0.0515 -0.0216 39 LYS A CD 307 C CE . LYS A 39 ? 0.7933 1.0477 0.9344 0.0500 0.0528 -0.0224 39 LYS A CE 308 N NZ . LYS A 39 ? 0.9698 1.2075 1.0996 0.0629 0.0516 -0.0243 39 LYS A NZ 309 N N . ARG A 40 ? 0.6185 0.8771 0.7740 -0.0122 0.0586 -0.0145 40 ARG A N 310 C CA . ARG A 40 ? 0.5869 0.8550 0.7434 -0.0200 0.0618 -0.0129 40 ARG A CA 311 C C . ARG A 40 ? 0.5819 0.8303 0.7332 -0.0294 0.0611 -0.0119 40 ARG A C 312 O O . ARG A 40 ? 0.5662 0.7979 0.7152 -0.0314 0.0579 -0.0123 40 ARG A O 313 C CB . ARG A 40 ? 0.6226 0.9153 0.7876 -0.0271 0.0623 -0.0111 40 ARG A CB 314 C CG . ARG A 40 ? 0.6000 0.8874 0.7672 -0.0370 0.0589 -0.0101 40 ARG A CG 315 C CD . ARG A 40 ? 0.6500 0.9627 0.8254 -0.0434 0.0588 -0.0085 40 ARG A CD 316 N NE . ARG A 40 ? 0.7814 1.0877 0.9577 -0.0532 0.0554 -0.0078 40 ARG A NE 317 C CZ . ARG A 40 ? 0.8026 1.1245 0.9833 -0.0638 0.0548 -0.0059 40 ARG A CZ 318 N NH1 . ARG A 40 ? 0.8557 1.2023 1.0412 -0.0663 0.0577 -0.0044 40 ARG A NH1 319 N NH2 . ARG A 40 ? 0.7219 1.0347 0.9017 -0.0721 0.0514 -0.0056 40 ARG A NH2 320 N N . PHE A 41 ? 0.5658 0.8167 0.7149 -0.0349 0.0640 -0.0106 41 PHE A N 321 C CA . PHE A 41 ? 0.5701 0.8041 0.7140 -0.0440 0.0634 -0.0094 41 PHE A CA 322 C C . PHE A 41 ? 0.5838 0.8272 0.7308 -0.0567 0.0632 -0.0070 41 PHE A C 323 O O . PHE A 41 ? 0.6706 0.9357 0.8226 -0.0595 0.0654 -0.0058 41 PHE A O 324 C CB . PHE A 41 ? 0.4991 0.7262 0.6368 -0.0423 0.0663 -0.0093 41 PHE A CB 325 C CG . PHE A 41 ? 0.5047 0.7173 0.6368 -0.0320 0.0658 -0.0116 41 PHE A CG 326 C CD1 . PHE A 41 ? 0.5006 0.6930 0.6288 -0.0314 0.0625 -0.0124 41 PHE A CD1 327 C CD2 . PHE A 41 ? 0.4780 0.6972 0.6081 -0.0231 0.0685 -0.0129 41 PHE A CD2 328 C CE1 . PHE A 41 ? 0.4731 0.6519 0.5954 -0.0232 0.0618 -0.0142 41 PHE A CE1 329 C CE2 . PHE A 41 ? 0.5037 0.7076 0.6271 -0.0143 0.0677 -0.0150 41 PHE A CE2 330 C CZ . PHE A 41 ? 0.4594 0.6432 0.5789 -0.0149 0.0642 -0.0155 41 PHE A CZ 331 N N . CYS A 42 ? 0.4767 0.7036 0.6200 -0.0642 0.0606 -0.0063 42 CYS A N 332 C CA . CYS A 42 ? 0.4943 0.7252 0.6381 -0.0767 0.0598 -0.0042 42 CYS A CA 333 C C . CYS A 42 ? 0.5500 0.7614 0.6851 -0.0838 0.0596 -0.0029 42 CYS A C 334 O O . CYS A 42 ? 0.5558 0.7529 0.6858 -0.0787 0.0601 -0.0037 42 CYS A O 335 C CB . CYS A 42 ? 0.5895 0.8195 0.7365 -0.0789 0.0561 -0.0048 42 CYS A CB 336 S SG . CYS A 42 ? 0.7286 0.9826 0.8857 -0.0714 0.0558 -0.0059 42 CYS A SG 337 N N . LYS A 43 ? 0.6286 0.8389 0.7612 -0.0955 0.0587 -0.0009 43 LYS A N 338 C CA . LYS A 43 ? 0.6800 0.8702 0.8031 -0.1020 0.0581 0.0004 43 LYS A CA 339 C C . LYS A 43 ? 0.7233 0.8922 0.8422 -0.0997 0.0545 -0.0010 43 LYS A C 340 O O . LYS A 43 ? 0.7203 0.8911 0.8432 -0.0982 0.0521 -0.0022 43 LYS A O 341 C CB . LYS A 43 ? 0.7296 0.9240 0.8494 -0.1158 0.0581 0.0031 43 LYS A CB 342 C CG . LYS A 43 ? 0.7761 0.9966 0.9017 -0.1200 0.0613 0.0048 43 LYS A CG 343 C CD . LYS A 43 ? 0.8721 1.0950 0.9935 -0.1353 0.0606 0.0076 43 LYS A CD 344 C CE . LYS A 43 ? 0.9529 1.2063 1.0824 -0.1403 0.0627 0.0091 43 LYS A CE 345 N NZ . LYS A 43 ? 1.0222 1.2780 1.1474 -0.1565 0.0613 0.0119 43 LYS A NZ 346 N N . ILE A 44 ? 0.6535 0.8032 0.7643 -0.0993 0.0542 -0.0007 44 ILE A N 347 C CA . ILE A 44 ? 0.6628 0.7929 0.7688 -0.0970 0.0510 -0.0017 44 ILE A CA 348 C C . ILE A 44 ? 0.7184 0.8326 0.8145 -0.1056 0.0498 0.0001 44 ILE A C 349 O O . ILE A 44 ? 0.7259 0.8350 0.8162 -0.1083 0.0515 0.0017 44 ILE A O 350 C CB . ILE A 44 ? 0.6777 0.7985 0.7825 -0.0871 0.0512 -0.0032 44 ILE A CB 351 C CG1 . ILE A 44 ? 0.5926 0.7253 0.7051 -0.0785 0.0518 -0.0051 44 ILE A CG1 352 C CG2 . ILE A 44 ? 0.5691 0.6710 0.6685 -0.0854 0.0482 -0.0039 44 ILE A CG2 353 C CD1 . ILE A 44 ? 0.5729 0.7069 0.6898 -0.0770 0.0489 -0.0065 44 ILE A CD1 354 N N . MET A 45 ? 1.0730 1.1787 1.1662 -0.1097 0.0467 -0.0003 45 MET A N 355 C CA . MET A 45 ? 1.1140 1.2036 1.1962 -0.1183 0.0451 0.0013 45 MET A CA 356 C C . MET A 45 ? 1.0932 1.1933 1.1741 -0.1289 0.0470 0.0039 45 MET A C 357 O O . MET A 45 ? 1.1010 1.1898 1.1721 -0.1354 0.0473 0.0060 45 MET A O 358 C CB . MET A 45 ? 1.1522 1.2222 1.2255 -0.1142 0.0448 0.0016 45 MET A CB 359 C CG . MET A 45 ? 1.1853 1.2466 1.2599 -0.1043 0.0430 -0.0007 45 MET A CG 360 S SD . MET A 45 ? 1.4541 1.4952 1.5194 -0.1057 0.0390 -0.0015 45 MET A SD 361 C CE . MET A 45 ? 1.3856 1.4070 1.4365 -0.1092 0.0390 0.0008 45 MET A CE 362 N N . ASN A 46 ? 1.1861 1.3084 1.2767 -0.1306 0.0481 0.0037 46 ASN A N 363 C CA . ASN A 46 ? 1.2251 1.3646 1.3176 -0.1395 0.0505 0.0061 46 ASN A CA 364 C C . ASN A 46 ? 1.1975 1.3329 1.2835 -0.1423 0.0533 0.0083 46 ASN A C 365 O O . ASN A 46 ? 1.2063 1.3429 1.2866 -0.1532 0.0540 0.0110 46 ASN A O 366 C CB . ASN A 46 ? 1.2665 1.4067 1.3559 -0.1514 0.0480 0.0072 46 ASN A CB 367 C CG . ASN A 46 ? 1.4245 1.5760 1.5112 -0.1641 0.0497 0.0104 46 ASN A CG 368 O OD1 . ASN A 46 ? 1.4636 1.5991 1.5386 -0.1712 0.0496 0.0124 46 ASN A OD1 369 N ND2 . ASN A 46 ? 1.3721 1.5520 1.4696 -0.1657 0.0518 0.0109 46 ASN A ND2 370 N N . LYS A 47 ? 0.8915 1.0224 0.9785 -0.1319 0.0547 0.0071 47 LYS A N 371 C CA . LYS A 47 ? 0.7739 0.9078 0.8590 -0.1303 0.0581 0.0084 47 LYS A CA 372 C C . LYS A 47 ? 0.7755 0.9281 0.8709 -0.1203 0.0608 0.0066 47 LYS A C 373 O O . LYS A 47 ? 0.7781 0.9282 0.8778 -0.1108 0.0597 0.0041 47 LYS A O 374 C CB . LYS A 47 ? 0.7553 0.8660 0.8309 -0.1263 0.0572 0.0084 47 LYS A CB 375 C CG . LYS A 47 ? 0.7843 0.8969 0.8569 -0.1249 0.0605 0.0098 47 LYS A CG 376 C CD . LYS A 47 ? 0.8217 0.9133 0.8862 -0.1194 0.0594 0.0095 47 LYS A CD 377 C CE . LYS A 47 ? 0.9415 1.0119 0.9956 -0.1246 0.0561 0.0106 47 LYS A CE 378 N NZ . LYS A 47 ? 1.0272 1.0790 1.0742 -0.1180 0.0546 0.0102 47 LYS A NZ 379 N N . ALA A 48 ? 0.7133 0.8836 0.8116 -0.1225 0.0644 0.0079 48 ALA A N 380 C CA . ALA A 48 ? 0.6175 0.8073 0.7248 -0.1134 0.0671 0.0063 48 ALA A CA 381 C C . ALA A 48 ? 0.5376 0.7182 0.6425 -0.1027 0.0684 0.0046 48 ALA A C 382 O O . ALA A 48 ? 0.5588 0.7231 0.6554 -0.1041 0.0683 0.0056 48 ALA A O 383 C CB . ALA A 48 ? 0.6216 0.8347 0.7321 -0.1194 0.0707 0.0084 48 ALA A CB 384 N N . PRO A 49 ? 0.4194 0.6101 0.5308 -0.0922 0.0693 0.0022 49 PRO A N 385 C CA . PRO A 49 ? 0.4158 0.5994 0.5245 -0.0824 0.0705 0.0006 49 PRO A CA 386 C C . PRO A 49 ? 0.5010 0.6962 0.6082 -0.0822 0.0748 0.0015 49 PRO A C 387 O O . PRO A 49 ? 0.4519 0.6672 0.5636 -0.0865 0.0771 0.0028 49 PRO A O 388 C CB . PRO A 49 ? 0.3910 0.5811 0.5060 -0.0723 0.0697 -0.0022 49 PRO A CB 389 C CG . PRO A 49 ? 0.3443 0.5555 0.4673 -0.0757 0.0701 -0.0016 49 PRO A CG 390 C CD . PRO A 49 ? 0.4016 0.6090 0.5222 -0.0886 0.0687 0.0009 49 PRO A CD 391 N N . LEU A 50 ? 0.5173 0.7011 0.6183 -0.0774 0.0758 0.0009 50 LEU A N 392 C CA . LEU A 50 ? 0.4037 0.5971 0.5025 -0.0763 0.0798 0.0015 50 LEU A CA 393 C C . LEU A 50 ? 0.5003 0.7046 0.6026 -0.0644 0.0817 -0.0012 50 LEU A C 394 O O . LEU A 50 ? 0.5144 0.7058 0.6132 -0.0564 0.0806 -0.0034 50 LEU A O 395 C CB . LEU A 50 ? 0.5075 0.6828 0.5967 -0.0777 0.0798 0.0025 50 LEU A CB 396 C CG . LEU A 50 ? 0.5510 0.7343 0.6365 -0.0768 0.0840 0.0032 50 LEU A CG 397 C CD1 . LEU A 50 ? 0.4613 0.6620 0.5487 -0.0865 0.0867 0.0062 50 LEU A CD1 398 C CD2 . LEU A 50 ? 0.4582 0.6223 0.5340 -0.0772 0.0834 0.0039 50 LEU A CD2 399 N N . ASP A 51 ? 0.5761 0.8038 0.6844 -0.0635 0.0846 -0.0011 51 ASP A N 400 C CA . ASP A 51 ? 0.5128 0.7524 0.6233 -0.0516 0.0869 -0.0036 51 ASP A CA 401 C C . ASP A 51 ? 0.5950 0.8339 0.6987 -0.0490 0.0904 -0.0037 51 ASP A C 402 O O . ASP A 51 ? 0.6569 0.9041 0.7593 -0.0568 0.0930 -0.0011 51 ASP A O 403 C CB . ASP A 51 ? 0.4864 0.7535 0.6059 -0.0513 0.0887 -0.0033 51 ASP A CB 404 C CG . ASP A 51 ? 0.5840 0.8613 0.7057 -0.0371 0.0901 -0.0063 51 ASP A CG 405 O OD1 . ASP A 51 ? 0.5839 0.8479 0.6990 -0.0282 0.0903 -0.0086 51 ASP A OD1 406 O OD2 . ASP A 51 ? 0.6324 0.9312 0.7619 -0.0348 0.0908 -0.0064 51 ASP A OD2 407 N N . LEU A 52 ? 0.5257 0.7540 0.6243 -0.0386 0.0904 -0.0064 52 LEU A N 408 C CA . LEU A 52 ? 0.5756 0.8016 0.6669 -0.0355 0.0934 -0.0068 52 LEU A CA 409 C C . LEU A 52 ? 0.6230 0.8728 0.7173 -0.0289 0.0977 -0.0078 52 LEU A C 410 O O . LEU A 52 ? 0.5896 0.8466 0.6800 -0.0291 0.1014 -0.0071 52 LEU A O 411 C CB . LEU A 52 ? 0.5861 0.7880 0.6691 -0.0298 0.0910 -0.0089 52 LEU A CB 412 C CG . LEU A 52 ? 0.5439 0.7250 0.6231 -0.0370 0.0876 -0.0074 52 LEU A CG 413 C CD1 . LEU A 52 ? 0.5754 0.7368 0.6464 -0.0309 0.0857 -0.0095 52 LEU A CD1 414 C CD2 . LEU A 52 ? 0.5472 0.7295 0.6236 -0.0472 0.0893 -0.0041 52 LEU A CD2 415 N N . LYS A 53 ? 0.5811 0.8436 0.6822 -0.0225 0.0972 -0.0093 53 LYS A N 416 C CA . LYS A 53 ? 0.6033 0.8883 0.7073 -0.0131 0.1008 -0.0107 53 LYS A CA 417 C C . LYS A 53 ? 0.6307 0.9032 0.7246 -0.0025 0.1022 -0.0136 53 LYS A C 418 O O . LYS A 53 ? 0.6868 0.9376 0.7748 0.0029 0.0991 -0.0158 53 LYS A O 419 C CB . LYS A 53 ? 0.5972 0.9070 0.7056 -0.0210 0.1049 -0.0078 53 LYS A CB 420 C CG . LYS A 53 ? 0.6409 0.9709 0.7600 -0.0282 0.1042 -0.0056 53 LYS A CG 421 C CD . LYS A 53 ? 0.6726 1.0034 0.7923 -0.0450 0.1041 -0.0016 53 LYS A CD 422 C CE . LYS A 53 ? 0.6700 1.0196 0.7994 -0.0529 0.1029 0.0004 53 LYS A CE 423 N NZ . LYS A 53 ? 0.7778 1.1262 0.9061 -0.0699 0.1025 0.0044 53 LYS A NZ 424 N N . ASP A 54 ? 0.5592 0.8455 0.6504 0.0000 0.1067 -0.0136 54 ASP A N 425 C CA . ASP A 54 ? 0.5686 0.8487 0.6505 0.0123 0.1087 -0.0168 54 ASP A CA 426 C C . ASP A 54 ? 0.6091 0.8661 0.6804 0.0089 0.1081 -0.0168 54 ASP A C 427 O O . ASP A 54 ? 0.6020 0.8535 0.6643 0.0168 0.1100 -0.0191 54 ASP A O 428 C CB . ASP A 54 ? 0.5499 0.8578 0.6339 0.0177 0.1141 -0.0169 54 ASP A CB 429 C CG . ASP A 54 ? 0.7548 1.0602 0.8308 0.0342 0.1156 -0.0211 54 ASP A CG 430 O OD1 . ASP A 54 ? 0.7275 1.0161 0.7996 0.0424 0.1122 -0.0238 54 ASP A OD1 431 O OD2 . ASP A 54 ? 0.9317 1.2513 1.0044 0.0390 0.1203 -0.0217 54 ASP A OD2 432 N N . CYS A 55 ? 0.5938 0.8372 0.6658 -0.0024 0.1052 -0.0144 55 CYS A N 433 C CA . CYS A 55 ? 0.6158 0.8372 0.6784 -0.0059 0.1039 -0.0142 55 CYS A CA 434 C C . CYS A 55 ? 0.6136 0.8108 0.6734 -0.0052 0.0987 -0.0154 55 CYS A C 435 O O . CYS A 55 ? 0.6046 0.8011 0.6712 -0.0081 0.0958 -0.0147 55 CYS A O 436 C CB . CYS A 55 ? 0.6239 0.8481 0.6874 -0.0191 0.1050 -0.0101 55 CYS A CB 437 S SG . CYS A 55 ? 0.7965 1.0455 0.8598 -0.0212 0.1114 -0.0084 55 CYS A SG 438 N N . THR A 56 ? 0.6513 0.8295 0.7010 -0.0017 0.0975 -0.0171 56 THR A N 439 C CA . THR A 56 ? 0.5886 0.7446 0.6350 -0.0029 0.0926 -0.0176 56 THR A CA 440 C C . THR A 56 ? 0.6304 0.7788 0.6772 -0.0142 0.0911 -0.0144 56 THR A C 441 O O . THR A 56 ? 0.6863 0.8446 0.7346 -0.0207 0.0938 -0.0118 56 THR A O 442 C CB . THR A 56 ? 0.6166 0.7551 0.6511 0.0046 0.0915 -0.0207 56 THR A CB 443 O OG1 . THR A 56 ? 0.6688 0.8020 0.6958 0.0012 0.0931 -0.0198 56 THR A OG1 444 C CG2 . THR A 56 ? 0.5457 0.6905 0.5768 0.0167 0.0935 -0.0240 56 THR A CG2 445 N N . ILE A 57 ? 0.6244 0.7553 0.6694 -0.0164 0.0868 -0.0143 57 ILE A N 446 C CA . ILE A 57 ? 0.5886 0.7104 0.6326 -0.0255 0.0851 -0.0114 57 ILE A CA 447 C C . ILE A 57 ? 0.5966 0.7140 0.6322 -0.0275 0.0870 -0.0105 57 ILE A C 448 O O . ILE A 57 ? 0.5995 0.7194 0.6349 -0.0350 0.0882 -0.0075 57 ILE A O 449 C CB . ILE A 57 ? 0.6326 0.7376 0.6757 -0.0260 0.0802 -0.0119 57 ILE A CB 450 C CG1 . ILE A 57 ? 0.5796 0.6896 0.6318 -0.0278 0.0782 -0.0115 57 ILE A CG1 451 C CG2 . ILE A 57 ? 0.5552 0.6483 0.5937 -0.0324 0.0784 -0.0096 57 ILE A CG2 452 C CD1 . ILE A 57 ? 0.6810 0.7768 0.7330 -0.0288 0.0737 -0.0116 57 ILE A CD1 453 N N . GLU A 58 ? 0.6244 0.7346 0.6519 -0.0208 0.0873 -0.0130 58 GLU A N 454 C CA . GLU A 58 ? 0.6568 0.7621 0.6755 -0.0221 0.0890 -0.0124 58 GLU A CA 455 C C . GLU A 58 ? 0.6761 0.7984 0.6959 -0.0241 0.0940 -0.0109 58 GLU A C 456 O O . GLU A 58 ? 0.6682 0.7895 0.6846 -0.0305 0.0951 -0.0083 58 GLU A O 457 C CB . GLU A 58 ? 0.6606 0.7551 0.6696 -0.0142 0.0883 -0.0159 58 GLU A CB 458 C CG . GLU A 58 ? 0.6790 0.7571 0.6858 -0.0130 0.0833 -0.0171 58 GLU A CG 459 C CD . GLU A 58 ? 0.6891 0.7680 0.6985 -0.0061 0.0823 -0.0199 58 GLU A CD 460 O OE1 . GLU A 58 ? 0.6394 0.7289 0.6585 -0.0069 0.0826 -0.0191 58 GLU A OE1 461 O OE2 . GLU A 58 ? 0.6859 0.7541 0.6869 0.0001 0.0810 -0.0228 58 GLU A OE2 462 N N . GLY A 59 ? 0.5917 0.7299 0.6159 -0.0187 0.0970 -0.0125 59 GLY A N 463 C CA . GLY A 59 ? 0.5480 0.7055 0.5741 -0.0205 0.1019 -0.0110 59 GLY A CA 464 C C . GLY A 59 ? 0.5971 0.7627 0.6295 -0.0319 0.1023 -0.0069 59 GLY A C 465 O O . GLY A 59 ? 0.5792 0.7515 0.6090 -0.0378 0.1052 -0.0043 59 GLY A O 466 N N . TRP A 60 ? 0.5868 0.7510 0.6266 -0.0353 0.0993 -0.0061 60 TRP A N 467 C CA . TRP A 60 ? 0.5334 0.7026 0.5778 -0.0464 0.0990 -0.0023 60 TRP A CA 468 C C . TRP A 60 ? 0.5690 0.7227 0.6060 -0.0537 0.0976 0.0004 60 TRP A C 469 O O . TRP A 60 ? 0.6087 0.7679 0.6438 -0.0618 0.0996 0.0036 60 TRP A O 470 C CB . TRP A 60 ? 0.5471 0.7147 0.5994 -0.0477 0.0956 -0.0025 60 TRP A CB 471 C CG . TRP A 60 ? 0.5384 0.7004 0.5919 -0.0586 0.0935 0.0009 60 TRP A CG 472 C CD1 . TRP A 60 ? 0.6015 0.7714 0.6545 -0.0683 0.0954 0.0043 60 TRP A CD1 473 C CD2 . TRP A 60 ? 0.5376 0.6840 0.5918 -0.0608 0.0889 0.0011 60 TRP A CD2 474 N NE1 . TRP A 60 ? 0.6170 0.7753 0.6694 -0.0762 0.0922 0.0066 60 TRP A NE1 475 C CE2 . TRP A 60 ? 0.5404 0.6848 0.5938 -0.0713 0.0882 0.0046 60 TRP A CE2 476 C CE3 . TRP A 60 ? 0.5481 0.6820 0.6028 -0.0550 0.0852 -0.0012 60 TRP A CE3 477 C CZ2 . TRP A 60 ? 0.4985 0.6286 0.5514 -0.0751 0.0842 0.0055 60 TRP A CZ2 478 C CZ3 . TRP A 60 ? 0.4796 0.6013 0.5349 -0.0592 0.0814 -0.0002 60 TRP A CZ3 479 C CH2 . TRP A 60 ? 0.5204 0.6402 0.5747 -0.0687 0.0809 0.0030 60 TRP A CH2 480 N N . ILE A 61 ? 0.5960 0.7307 0.6281 -0.0510 0.0940 -0.0007 61 ILE A N 481 C CA . ILE A 61 ? 0.5925 0.7121 0.6186 -0.0575 0.0917 0.0020 61 ILE A CA 482 C C . ILE A 61 ? 0.5886 0.7043 0.6052 -0.0572 0.0938 0.0026 61 ILE A C 483 O O . ILE A 61 ? 0.6444 0.7520 0.6554 -0.0635 0.0931 0.0056 61 ILE A O 484 C CB . ILE A 61 ? 0.5567 0.6595 0.5826 -0.0552 0.0867 0.0009 61 ILE A CB 485 C CG1 . ILE A 61 ? 0.5705 0.6614 0.5933 -0.0626 0.0840 0.0041 61 ILE A CG1 486 C CG2 . ILE A 61 ? 0.6256 0.7183 0.6451 -0.0482 0.0855 -0.0017 61 ILE A CG2 487 C CD1 . ILE A 61 ? 0.5740 0.6696 0.6026 -0.0691 0.0834 0.0060 61 ILE A CD1 488 N N . LEU A 62 ? 0.5842 0.7050 0.5982 -0.0496 0.0962 -0.0003 62 LEU A N 489 C CA . LEU A 62 ? 0.5986 0.7179 0.6034 -0.0493 0.0987 0.0001 62 LEU A CA 490 C C . LEU A 62 ? 0.6577 0.7945 0.6636 -0.0542 0.1035 0.0025 62 LEU A C 491 O O . LEU A 62 ? 0.7198 0.8557 0.7184 -0.0575 0.1055 0.0044 62 LEU A O 492 C CB . LEU A 62 ? 0.5647 0.6815 0.5646 -0.0392 0.0994 -0.0040 62 LEU A CB 493 C CG . LEU A 62 ? 0.6356 0.7335 0.6304 -0.0356 0.0948 -0.0060 62 LEU A CG 494 C CD1 . LEU A 62 ? 0.5975 0.6933 0.5869 -0.0259 0.0955 -0.0103 62 LEU A CD1 495 C CD2 . LEU A 62 ? 0.5997 0.6849 0.5867 -0.0406 0.0930 -0.0036 62 LEU A CD2 496 N N . GLY A 63 ? 0.5897 0.7433 0.6045 -0.0550 0.1053 0.0026 63 GLY A N 497 C CA . GLY A 63 ? 0.5831 0.7563 0.5998 -0.0601 0.1099 0.0049 63 GLY A CA 498 C C . GLY A 63 ? 0.6500 0.8385 0.6657 -0.0516 0.1144 0.0022 63 GLY A C 499 O O . GLY A 63 ? 0.7109 0.9095 0.7225 -0.0543 0.1184 0.0038 63 GLY A O 500 N N . ASN A 64 ? 0.5534 0.7425 0.5717 -0.0410 0.1137 -0.0019 64 ASN A N 501 C CA . ASN A 64 ? 0.5985 0.8036 0.6167 -0.0314 0.1179 -0.0048 64 ASN A CA 502 C C . ASN A 64 ? 0.6655 0.8975 0.6906 -0.0364 0.1223 -0.0023 64 ASN A C 503 O O . ASN A 64 ? 0.6510 0.8916 0.6848 -0.0430 0.1213 -0.0001 64 ASN A O 504 C CB . ASN A 64 ? 0.5511 0.7533 0.5726 -0.0207 0.1158 -0.0089 64 ASN A CB 505 C CG . ASN A 64 ? 0.6173 0.8345 0.6374 -0.0089 0.1197 -0.0122 64 ASN A CG 506 O OD1 . ASN A 64 ? 0.6987 0.9397 0.7236 -0.0092 0.1241 -0.0111 64 ASN A OD1 507 N ND2 . ASN A 64 ? 0.5767 0.7800 0.5899 0.0017 0.1181 -0.0163 64 ASN A ND2 508 N N . PRO A 65 ? 0.6406 0.8866 0.6614 -0.0339 0.1273 -0.0023 65 PRO A N 509 C CA . PRO A 65 ? 0.6688 0.9420 0.6951 -0.0400 0.1319 0.0006 65 PRO A CA 510 C C . PRO A 65 ? 0.6257 0.9207 0.6638 -0.0366 0.1327 -0.0003 65 PRO A C 511 O O . PRO A 65 ? 0.6228 0.9371 0.6678 -0.0456 0.1345 0.0031 65 PRO A O 512 C CB . PRO A 65 ? 0.7208 1.0030 0.7394 -0.0335 0.1368 -0.0009 65 PRO A CB 513 C CG . PRO A 65 ? 0.6504 0.9056 0.6576 -0.0295 0.1342 -0.0029 65 PRO A CG 514 C CD . PRO A 65 ? 0.6529 0.8895 0.6626 -0.0257 0.1287 -0.0052 65 PRO A CD 515 N N . LYS A 66 ? 0.7094 1.0007 0.7490 -0.0241 0.1312 -0.0045 66 LYS A N 516 C CA . LYS A 66 ? 0.6828 0.9937 0.7330 -0.0196 0.1316 -0.0055 66 LYS A CA 517 C C . LYS A 66 ? 0.6766 0.9795 0.7344 -0.0268 0.1268 -0.0040 66 LYS A C 518 O O . LYS A 66 ? 0.7156 1.0304 0.7819 -0.0226 0.1259 -0.0051 66 LYS A O 519 C CB . LYS A 66 ? 0.6871 0.9968 0.7344 -0.0025 0.1319 -0.0106 66 LYS A CB 520 C CG . LYS A 66 ? 0.7653 1.0908 0.8071 0.0064 0.1375 -0.0124 66 LYS A CG 521 C CD . LYS A 66 ? 0.7764 1.1070 0.8173 0.0235 0.1381 -0.0171 66 LYS A CD 522 C CE . LYS A 66 ? 0.7732 1.1196 0.8078 0.0335 0.1438 -0.0192 66 LYS A CE 523 N NZ . LYS A 66 ? 0.8004 1.1532 0.8335 0.0510 0.1445 -0.0237 66 LYS A NZ 524 N N . CYS A 67 ? 0.6562 0.9396 0.7107 -0.0373 0.1236 -0.0014 67 CYS A N 525 C CA . CYS A 67 ? 0.6584 0.9331 0.7188 -0.0446 0.1191 0.0001 67 CYS A CA 526 C C . CYS A 67 ? 0.6788 0.9586 0.7407 -0.0603 0.1194 0.0050 67 CYS A C 527 O O . CYS A 67 ? 0.6881 0.9522 0.7499 -0.0679 0.1154 0.0067 67 CYS A O 528 C CB . CYS A 67 ? 0.5973 0.8418 0.6518 -0.0424 0.1142 -0.0015 67 CYS A CB 529 S SG . CYS A 67 ? 0.6854 0.9184 0.7353 -0.0259 0.1131 -0.0070 67 CYS A SG 530 N N . ASP A 68 ? 0.6182 0.9197 0.6807 -0.0650 0.1240 0.0073 68 ASP A N 531 C CA . ASP A 68 ? 0.5951 0.9005 0.6565 -0.0808 0.1245 0.0123 68 ASP A CA 532 C C . ASP A 68 ? 0.5702 0.8816 0.6397 -0.0895 0.1219 0.0142 68 ASP A C 533 O O . ASP A 68 ? 0.5774 0.8804 0.6438 -0.1027 0.1201 0.0179 68 ASP A O 534 C CB . ASP A 68 ? 0.6610 0.9917 0.7218 -0.0838 0.1304 0.0143 68 ASP A CB 535 C CG . ASP A 68 ? 0.7445 1.0644 0.7941 -0.0820 0.1326 0.0144 68 ASP A CG 536 O OD1 . ASP A 68 ? 0.6879 0.9806 0.7300 -0.0798 0.1294 0.0133 68 ASP A OD1 537 O OD2 . ASP A 68 ? 0.8939 1.2336 0.9420 -0.0831 0.1376 0.0156 68 ASP A OD2 538 N N . LEU A 69 ? 0.4933 0.8187 0.5722 -0.0821 0.1215 0.0118 69 LEU A N 539 C CA . LEU A 69 ? 0.4911 0.8212 0.5777 -0.0892 0.1185 0.0130 69 LEU A CA 540 C C . LEU A 69 ? 0.5091 0.8092 0.5913 -0.0946 0.1131 0.0136 69 LEU A C 541 O O . LEU A 69 ? 0.4846 0.7822 0.5677 -0.1063 0.1108 0.0164 69 LEU A O 542 C CB . LEU A 69 ? 0.5918 0.9370 0.6879 -0.0777 0.1182 0.0097 69 LEU A CB 543 C CG . LEU A 69 ? 0.6467 0.9963 0.7512 -0.0829 0.1148 0.0103 69 LEU A CG 544 C CD1 . LEU A 69 ? 0.6337 0.9993 0.7407 -0.0992 0.1156 0.0149 69 LEU A CD1 545 C CD2 . LEU A 69 ? 0.6180 0.9856 0.7312 -0.0703 0.1152 0.0071 69 LEU A CD2 546 N N . LEU A 70 ? 0.5996 0.8771 0.6763 -0.0860 0.1110 0.0109 70 LEU A N 547 C CA . LEU A 70 ? 0.6148 0.8652 0.6876 -0.0889 0.1060 0.0111 70 LEU A CA 548 C C . LEU A 70 ? 0.6031 0.8357 0.6655 -0.0977 0.1054 0.0141 70 LEU A C 549 O O . LEU A 70 ? 0.5861 0.7996 0.6450 -0.1033 0.1015 0.0154 70 LEU A O 550 C CB . LEU A 70 ? 0.6384 0.8738 0.7102 -0.0760 0.1038 0.0069 70 LEU A CB 551 C CG . LEU A 70 ? 0.6442 0.8910 0.7244 -0.0663 0.1033 0.0037 70 LEU A CG 552 C CD1 . LEU A 70 ? 0.6330 0.8634 0.7093 -0.0542 0.1015 -0.0001 70 LEU A CD1 553 C CD2 . LEU A 70 ? 0.5260 0.7736 0.6131 -0.0721 0.0999 0.0046 70 LEU A CD2 554 N N . LEU A 71 ? 0.5348 0.7738 0.5918 -0.0984 0.1092 0.0153 71 LEU A N 555 C CA . LEU A 71 ? 0.5033 0.7247 0.5492 -0.1044 0.1088 0.0179 71 LEU A CA 556 C C . LEU A 71 ? 0.4994 0.7108 0.5411 -0.1183 0.1065 0.0220 71 LEU A C 557 O O . LEU A 71 ? 0.5622 0.7889 0.6076 -0.1276 0.1076 0.0244 71 LEU A O 558 C CB . LEU A 71 ? 0.5246 0.7597 0.5663 -0.1043 0.1139 0.0189 71 LEU A CB 559 C CG . LEU A 71 ? 0.5714 0.7886 0.6010 -0.1090 0.1138 0.0213 71 LEU A CG 560 C CD1 . LEU A 71 ? 0.4656 0.6637 0.4902 -0.0984 0.1117 0.0181 71 LEU A CD1 561 C CD2 . LEU A 71 ? 0.5577 0.7920 0.5836 -0.1137 0.1189 0.0237 71 LEU A CD2 562 N N . GLY A 72 ? 0.5173 0.7028 0.5506 -0.1198 0.1030 0.0228 72 GLY A N 563 C CA . GLY A 72 ? 0.5283 0.6995 0.5553 -0.1315 0.1001 0.0264 72 GLY A CA 564 C C . GLY A 72 ? 0.6282 0.7822 0.6565 -0.1300 0.0950 0.0251 72 GLY A C 565 O O . GLY A 72 ? 0.6219 0.7687 0.6535 -0.1197 0.0931 0.0218 72 GLY A O 566 N N . ASP A 73 ? 0.6528 0.8003 0.6780 -0.1407 0.0928 0.0279 73 ASP A N 567 C CA . ASP A 73 ? 0.5838 0.7147 0.6089 -0.1404 0.0880 0.0270 73 ASP A CA 568 C C . ASP A 73 ? 0.6562 0.8002 0.6938 -0.1349 0.0873 0.0237 73 ASP A C 569 O O . ASP A 73 ? 0.6584 0.8253 0.7040 -0.1370 0.0899 0.0237 73 ASP A O 570 C CB . ASP A 73 ? 0.5658 0.6860 0.5824 -0.1538 0.0860 0.0308 73 ASP A CB 571 C CG . ASP A 73 ? 0.7229 0.8275 0.7256 -0.1592 0.0862 0.0342 73 ASP A CG 572 O OD1 . ASP A 73 ? 0.7699 0.8710 0.7702 -0.1517 0.0875 0.0333 73 ASP A OD1 573 O OD2 . ASP A 73 ? 0.7583 0.8531 0.7516 -0.1709 0.0850 0.0378 73 ASP A OD2 574 N N . GLN A 74 ? 0.6078 0.7379 0.6470 -0.1276 0.0838 0.0212 74 GLN A N 575 C CA . GLN A 74 ? 0.5235 0.6624 0.5732 -0.1226 0.0825 0.0183 74 GLN A CA 576 C C . GLN A 74 ? 0.5117 0.6315 0.5593 -0.1221 0.0777 0.0175 74 GLN A C 577 O O . GLN A 74 ? 0.4939 0.5942 0.5343 -0.1192 0.0755 0.0176 74 GLN A O 578 C CB . GLN A 74 ? 0.4643 0.6121 0.5207 -0.1100 0.0840 0.0147 74 GLN A CB 579 C CG . GLN A 74 ? 0.5345 0.7036 0.5940 -0.1081 0.0889 0.0147 74 GLN A CG 580 C CD . GLN A 74 ? 0.5365 0.7300 0.6050 -0.1119 0.0908 0.0151 74 GLN A CD 581 O OE1 . GLN A 74 ? 0.5915 0.7857 0.6632 -0.1179 0.0884 0.0158 74 GLN A OE1 582 N NE2 . GLN A 74 ? 0.5621 0.7764 0.6345 -0.1081 0.0950 0.0145 74 GLN A NE2 583 N N . SER A 75 ? 0.5687 0.6951 0.6226 -0.1249 0.0761 0.0169 75 SER A N 584 C CA . SER A 75 ? 0.5931 0.7050 0.6471 -0.1225 0.0719 0.0153 75 SER A CA 585 C C . SER A 75 ? 0.6194 0.7442 0.6848 -0.1148 0.0716 0.0121 75 SER A C 586 O O . SER A 75 ? 0.6135 0.7594 0.6868 -0.1157 0.0739 0.0119 75 SER A O 587 C CB . SER A 75 ? 0.5512 0.6548 0.5996 -0.1337 0.0695 0.0176 75 SER A CB 588 O OG . SER A 75 ? 0.6581 0.7414 0.6934 -0.1383 0.0683 0.0200 75 SER A OG 589 N N . TRP A 76 ? 0.6162 0.7292 0.6826 -0.1073 0.0688 0.0098 76 TRP A N 590 C CA . TRP A 76 ? 0.5476 0.6706 0.6236 -0.0998 0.0683 0.0069 76 TRP A CA 591 C C . TRP A 76 ? 0.5613 0.6701 0.6372 -0.0962 0.0643 0.0053 76 TRP A C 592 O O . TRP A 76 ? 0.5880 0.6790 0.6568 -0.0955 0.0623 0.0057 76 TRP A O 593 C CB . TRP A 76 ? 0.4867 0.6170 0.5655 -0.0903 0.0707 0.0050 76 TRP A CB 594 C CG . TRP A 76 ? 0.5309 0.6444 0.6035 -0.0848 0.0694 0.0042 76 TRP A CG 595 C CD1 . TRP A 76 ? 0.5139 0.6180 0.5874 -0.0777 0.0668 0.0020 76 TRP A CD1 596 C CD2 . TRP A 76 ? 0.5730 0.6778 0.6373 -0.0861 0.0706 0.0058 76 TRP A CD2 597 N NE1 . TRP A 76 ? 0.4682 0.5595 0.5350 -0.0748 0.0663 0.0022 76 TRP A NE1 598 C CE2 . TRP A 76 ? 0.5198 0.6109 0.5808 -0.0796 0.0685 0.0044 76 TRP A CE2 599 C CE3 . TRP A 76 ? 0.5073 0.6151 0.5665 -0.0926 0.0732 0.0084 76 TRP A CE3 600 C CZ2 . TRP A 76 ? 0.5205 0.6012 0.5735 -0.0789 0.0688 0.0055 76 TRP A CZ2 601 C CZ3 . TRP A 76 ? 0.5284 0.6248 0.5793 -0.0918 0.0735 0.0095 76 TRP A CZ3 602 C CH2 . TRP A 76 ? 0.5388 0.6220 0.5868 -0.0848 0.0712 0.0079 76 TRP A CH2 603 N N . SER A 77 ? 0.6164 0.7341 0.7002 -0.0935 0.0632 0.0035 77 SER A N 604 C CA . SER A 77 ? 0.6257 0.7329 0.7106 -0.0890 0.0598 0.0017 77 SER A CA 605 C C . SER A 77 ? 0.6162 0.7237 0.7042 -0.0786 0.0599 -0.0007 77 SER A C 606 O O . SER A 77 ? 0.6553 0.7520 0.7424 -0.0743 0.0573 -0.0020 77 SER A O 607 C CB . SER A 77 ? 0.6270 0.7425 0.7178 -0.0924 0.0582 0.0012 77 SER A CB 608 O OG . SER A 77 ? 0.5589 0.6952 0.6580 -0.0905 0.0604 0.0006 77 SER A OG 609 N N . TYR A 78 ? 0.5215 0.6416 0.6126 -0.0747 0.0628 -0.0013 78 TYR A N 610 C CA . TYR A 78 ? 0.5002 0.6188 0.5915 -0.0653 0.0632 -0.0035 78 TYR A CA 611 C C . TYR A 78 ? 0.4969 0.6296 0.5896 -0.0625 0.0670 -0.0037 78 TYR A C 612 O O . TYR A 78 ? 0.5230 0.6695 0.6185 -0.0674 0.0692 -0.0024 78 TYR A O 613 C CB . TYR A 78 ? 0.4638 0.5830 0.5602 -0.0595 0.0609 -0.0057 78 TYR A CB 614 C CG . TYR A 78 ? 0.3914 0.5272 0.4956 -0.0597 0.0614 -0.0061 78 TYR A CG 615 C CD1 . TYR A 78 ? 0.4348 0.5732 0.5417 -0.0665 0.0599 -0.0051 78 TYR A CD1 616 C CD2 . TYR A 78 ? 0.3497 0.4980 0.4576 -0.0528 0.0632 -0.0076 78 TYR A CD2 617 C CE1 . TYR A 78 ? 0.4493 0.6039 0.5634 -0.0671 0.0601 -0.0053 78 TYR A CE1 618 C CE2 . TYR A 78 ? 0.3826 0.5475 0.4979 -0.0524 0.0636 -0.0079 78 TYR A CE2 619 C CZ . TYR A 78 ? 0.4301 0.5987 0.5488 -0.0599 0.0620 -0.0066 78 TYR A CZ 620 O OH . TYR A 78 ? 0.4763 0.6624 0.6024 -0.0601 0.0621 -0.0068 78 TYR A OH 621 N N . ILE A 79 ? 0.4475 0.5769 0.5377 -0.0548 0.0677 -0.0055 79 ILE A N 622 C CA . ILE A 79 ? 0.4556 0.5961 0.5453 -0.0510 0.0713 -0.0060 79 ILE A CA 623 C C . ILE A 79 ? 0.5076 0.6557 0.6009 -0.0416 0.0716 -0.0086 79 ILE A C 624 O O . ILE A 79 ? 0.5917 0.7294 0.6836 -0.0364 0.0690 -0.0104 79 ILE A O 625 C CB . ILE A 79 ? 0.4919 0.6211 0.5732 -0.0498 0.0722 -0.0058 79 ILE A CB 626 C CG1 . ILE A 79 ? 0.4388 0.5604 0.5156 -0.0586 0.0719 -0.0029 79 ILE A CG1 627 C CG2 . ILE A 79 ? 0.4370 0.5769 0.5167 -0.0452 0.0760 -0.0066 79 ILE A CG2 628 C CD1 . ILE A 79 ? 0.4503 0.5598 0.5188 -0.0577 0.0721 -0.0025 79 ILE A CD1 629 N N . VAL A 80 ? 0.4483 0.6149 0.5457 -0.0395 0.0746 -0.0088 80 VAL A N 630 C CA . VAL A 80 ? 0.4803 0.6547 0.5798 -0.0294 0.0752 -0.0113 80 VAL A CA 631 C C . VAL A 80 ? 0.5612 0.7390 0.6553 -0.0232 0.0786 -0.0125 80 VAL A C 632 O O . VAL A 80 ? 0.5983 0.7904 0.6936 -0.0258 0.0821 -0.0112 80 VAL A O 633 C CB . VAL A 80 ? 0.5283 0.7234 0.6368 -0.0297 0.0759 -0.0110 80 VAL A CB 634 C CG1 . VAL A 80 ? 0.4925 0.6961 0.6021 -0.0179 0.0768 -0.0135 80 VAL A CG1 635 C CG2 . VAL A 80 ? 0.4289 0.6198 0.5419 -0.0354 0.0724 -0.0102 80 VAL A CG2 636 N N . GLU A 81 ? 0.5733 0.7376 0.6607 -0.0155 0.0775 -0.0148 81 GLU A N 637 C CA . GLU A 81 ? 0.5910 0.7564 0.6719 -0.0086 0.0804 -0.0163 81 GLU A CA 638 C C . GLU A 81 ? 0.5891 0.7619 0.6707 0.0024 0.0808 -0.0189 81 GLU A C 639 O O . GLU A 81 ? 0.6169 0.7810 0.6984 0.0064 0.0776 -0.0202 81 GLU A O 640 C CB . GLU A 81 ? 0.6043 0.7485 0.6752 -0.0079 0.0788 -0.0172 81 GLU A CB 641 C CG . GLU A 81 ? 0.6606 0.8044 0.7233 -0.0022 0.0818 -0.0187 81 GLU A CG 642 C CD . GLU A 81 ? 0.7663 0.8887 0.8186 -0.0006 0.0795 -0.0199 81 GLU A CD 643 O OE1 . GLU A 81 ? 0.7175 0.8360 0.7638 -0.0028 0.0811 -0.0194 81 GLU A OE1 644 O OE2 . GLU A 81 ? 0.8202 0.9302 0.8702 0.0025 0.0760 -0.0213 81 GLU A OE2 645 N N . ARG A 82 ? 0.5519 0.7411 0.6339 0.0077 0.0847 -0.0196 82 ARG A N 646 C CA . ARG A 82 ? 0.5248 0.7227 0.6069 0.0194 0.0854 -0.0220 82 ARG A CA 647 C C . ARG A 82 ? 0.5750 0.7560 0.6448 0.0292 0.0850 -0.0250 82 ARG A C 648 O O . ARG A 82 ? 0.6091 0.7826 0.6715 0.0283 0.0866 -0.0253 82 ARG A O 649 C CB . ARG A 82 ? 0.5502 0.7757 0.6384 0.0212 0.0898 -0.0213 82 ARG A CB 650 C CG . ARG A 82 ? 0.5001 0.7424 0.5991 0.0097 0.0903 -0.0180 82 ARG A CG 651 C CD . ARG A 82 ? 0.5364 0.7791 0.6424 0.0084 0.0867 -0.0178 82 ARG A CD 652 N NE . ARG A 82 ? 0.5444 0.8019 0.6595 -0.0028 0.0867 -0.0148 82 ARG A NE 653 C CZ . ARG A 82 ? 0.5238 0.7862 0.6460 -0.0051 0.0840 -0.0143 82 ARG A CZ 654 N NH1 . ARG A 82 ? 0.4968 0.7507 0.6182 0.0032 0.0811 -0.0164 82 ARG A NH1 655 N NH2 . ARG A 82 ? 0.4761 0.7509 0.6052 -0.0161 0.0840 -0.0117 82 ARG A NH2 656 N N . PRO A 83 ? 0.7267 0.9005 0.7933 0.0383 0.0827 -0.0273 83 PRO A N 657 C CA . PRO A 83 ? 0.7728 0.9270 0.8260 0.0471 0.0815 -0.0302 83 PRO A CA 658 C C . PRO A 83 ? 0.8235 0.9838 0.8692 0.0557 0.0855 -0.0322 83 PRO A C 659 O O . PRO A 83 ? 0.8968 1.0391 0.9298 0.0597 0.0850 -0.0342 83 PRO A O 660 C CB . PRO A 83 ? 0.7261 0.8765 0.7791 0.0548 0.0785 -0.0317 83 PRO A CB 661 C CG . PRO A 83 ? 0.7141 0.8747 0.7798 0.0469 0.0768 -0.0292 83 PRO A CG 662 C CD . PRO A 83 ? 0.7585 0.9403 0.8333 0.0397 0.0805 -0.0270 83 PRO A CD 663 N N . ASN A 84 ? 0.9700 1.1556 1.0230 0.0585 0.0895 -0.0316 84 ASN A N 664 C CA . ASN A 84 ? 1.0437 1.2377 1.0900 0.0677 0.0937 -0.0336 84 ASN A CA 665 C C . ASN A 84 ? 1.0578 1.2654 1.1072 0.0600 0.0978 -0.0315 84 ASN A C 666 O O . ASN A 84 ? 1.1076 1.3331 1.1567 0.0660 0.1022 -0.0321 84 ASN A O 667 C CB . ASN A 84 ? 1.0993 1.3133 1.1496 0.0794 0.0955 -0.0349 84 ASN A CB 668 C CG . ASN A 84 ? 1.2522 1.4487 1.2926 0.0917 0.0923 -0.0380 84 ASN A CG 669 O OD1 . ASN A 84 ? 1.2082 1.3798 1.2347 0.0950 0.0905 -0.0401 84 ASN A OD1 670 N ND2 . ASN A 84 ? 1.2344 1.4432 1.2812 0.0980 0.0913 -0.0381 84 ASN A ND2 671 N N . ALA A 85 ? 0.7844 0.9836 0.8361 0.0472 0.0965 -0.0290 85 ALA A N 672 C CA . ALA A 85 ? 0.7822 0.9905 0.8350 0.0390 0.0999 -0.0267 85 ALA A CA 673 C C . ALA A 85 ? 0.7910 0.9901 0.8309 0.0454 0.1022 -0.0290 85 ALA A C 674 O O . ALA A 85 ? 0.8049 0.9805 0.8341 0.0485 0.0994 -0.0310 85 ALA A O 675 C CB . ALA A 85 ? 0.6599 0.8571 0.7157 0.0253 0.0972 -0.0238 85 ALA A CB 676 N N . GLN A 86 ? 0.7563 0.9745 0.7968 0.0469 0.1071 -0.0286 86 GLN A N 677 C CA . GLN A 86 ? 0.7391 0.9518 0.7673 0.0545 0.1099 -0.0310 86 GLN A CA 678 C C . GLN A 86 ? 0.6510 0.8589 0.6758 0.0444 0.1113 -0.0288 86 GLN A C 679 O O . GLN A 86 ? 0.6810 0.8752 0.6937 0.0478 0.1118 -0.0307 86 GLN A O 680 C CB . GLN A 86 ? 0.7174 0.9552 0.7471 0.0649 0.1148 -0.0324 86 GLN A CB 681 C CG . GLN A 86 ? 0.7774 1.0184 0.8070 0.0784 0.1137 -0.0353 86 GLN A CG 682 C CD . GLN A 86 ? 0.8910 1.1053 0.9046 0.0897 0.1113 -0.0395 86 GLN A CD 683 O OE1 . GLN A 86 ? 1.0072 1.2196 1.0098 0.0988 0.1141 -0.0421 86 GLN A OE1 684 N NE2 . GLN A 86 ? 0.8754 1.0688 0.8870 0.0889 0.1061 -0.0401 86 GLN A NE2 685 N N . ASN A 87 ? 0.6514 0.8696 0.6857 0.0319 0.1116 -0.0248 87 ASN A N 686 C CA . ASN A 87 ? 0.6450 0.8611 0.6764 0.0221 0.1132 -0.0222 87 ASN A CA 687 C C . ASN A 87 ? 0.6521 0.8440 0.6801 0.0138 0.1087 -0.0209 87 ASN A C 688 O O . ASN A 87 ? 0.6652 0.8570 0.7003 0.0038 0.1067 -0.0179 87 ASN A O 689 C CB . ASN A 87 ? 0.6658 0.9066 0.7075 0.0129 0.1163 -0.0184 87 ASN A CB 690 C CG . ASN A 87 ? 0.7237 0.9917 0.7687 0.0207 0.1213 -0.0194 87 ASN A CG 691 O OD1 . ASN A 87 ? 0.7390 1.0081 0.7757 0.0305 0.1241 -0.0221 87 ASN A OD1 692 N ND2 . ASN A 87 ? 0.7335 1.0241 0.7904 0.0167 0.1223 -0.0172 87 ASN A ND2 693 N N . GLY A 88 ? 0.5713 0.7428 0.5876 0.0181 0.1070 -0.0232 88 GLY A N 694 C CA . GLY A 88 ? 0.5153 0.6651 0.5276 0.0112 0.1028 -0.0221 88 GLY A CA 695 C C . GLY A 88 ? 0.5580 0.7000 0.5606 0.0083 0.1041 -0.0216 88 GLY A C 696 O O . GLY A 88 ? 0.5976 0.7518 0.6017 0.0029 0.1075 -0.0191 88 GLY A O 697 N N . ILE A 89 ? 0.6755 0.7971 0.6676 0.0113 0.1013 -0.0237 89 ILE A N 698 C CA . ILE A 89 ? 0.7489 0.8624 0.7304 0.0098 0.1024 -0.0237 89 ILE A CA 699 C C . ILE A 89 ? 0.7475 0.8689 0.7216 0.0195 0.1067 -0.0267 89 ILE A C 700 O O . ILE A 89 ? 0.7674 0.8793 0.7336 0.0289 0.1058 -0.0305 89 ILE A O 701 C CB . ILE A 89 ? 0.7308 0.8203 0.7034 0.0089 0.0975 -0.0248 89 ILE A CB 702 C CG1 . ILE A 89 ? 0.6605 0.7439 0.6403 -0.0001 0.0935 -0.0218 89 ILE A CG1 703 C CG2 . ILE A 89 ? 0.7198 0.8014 0.6805 0.0083 0.0986 -0.0252 89 ILE A CG2 704 C CD1 . ILE A 89 ? 0.7027 0.7656 0.6753 -0.0012 0.0886 -0.0226 89 ILE A CD1 705 N N . CYS A 90 ? 0.7606 0.8992 0.7366 0.0171 0.1115 -0.0249 90 CYS A N 706 C CA . CYS A 90 ? 0.8263 0.9770 0.7969 0.0265 0.1163 -0.0274 90 CYS A CA 707 C C . CYS A 90 ? 0.8325 0.9684 0.7877 0.0301 0.1167 -0.0297 90 CYS A C 708 O O . CYS A 90 ? 0.8643 0.9948 0.8100 0.0410 0.1174 -0.0339 90 CYS A O 709 C CB . CYS A 90 ? 0.7485 0.9258 0.7276 0.0220 0.1215 -0.0244 90 CYS A CB 710 S SG . CYS A 90 ? 1.0238 1.2006 1.0040 0.0066 0.1218 -0.0190 90 CYS A SG 711 N N . TYR A 91 ? 0.6806 0.8091 0.6324 0.0210 0.1159 -0.0270 91 TYR A N 712 C CA . TYR A 91 ? 0.7471 0.8595 0.6841 0.0230 0.1153 -0.0290 91 TYR A CA 713 C C . TYR A 91 ? 0.7369 0.8250 0.6683 0.0227 0.1091 -0.0305 91 TYR A C 714 O O . TYR A 91 ? 0.6539 0.7348 0.5903 0.0141 0.1055 -0.0277 91 TYR A O 715 C CB . TYR A 91 ? 0.7271 0.8421 0.6622 0.0137 0.1169 -0.0253 91 TYR A CB 716 C CG . TYR A 91 ? 0.7499 0.8539 0.6697 0.0166 0.1177 -0.0273 91 TYR A CG 717 C CD1 . TYR A 91 ? 0.7477 0.8295 0.6585 0.0144 0.1129 -0.0281 91 TYR A CD1 718 C CD2 . TYR A 91 ? 0.8289 0.9459 0.7433 0.0213 0.1232 -0.0283 91 TYR A CD2 719 C CE1 . TYR A 91 ? 0.7954 0.8670 0.6917 0.0165 0.1133 -0.0299 91 TYR A CE1 720 C CE2 . TYR A 91 ? 0.7621 0.8687 0.6618 0.0240 0.1239 -0.0302 91 TYR A CE2 721 C CZ . TYR A 91 ? 0.8193 0.9026 0.7099 0.0214 0.1188 -0.0310 91 TYR A CZ 722 O OH . TYR A 91 ? 0.8534 0.9260 0.7290 0.0235 0.1191 -0.0330 91 TYR A OH 723 N N . PRO A 92 ? 0.8776 0.9529 0.7977 0.0320 0.1080 -0.0350 92 PRO A N 724 C CA . PRO A 92 ? 0.8520 0.9055 0.7663 0.0327 0.1023 -0.0370 92 PRO A CA 725 C C . PRO A 92 ? 0.8320 0.8720 0.7444 0.0227 0.0980 -0.0345 92 PRO A C 726 O O . PRO A 92 ? 0.8100 0.8494 0.7173 0.0184 0.0991 -0.0330 92 PRO A O 727 C CB . PRO A 92 ? 0.8470 0.8883 0.7446 0.0431 0.1028 -0.0419 92 PRO A CB 728 C CG . PRO A 92 ? 0.9448 0.9992 0.8383 0.0459 0.1084 -0.0421 92 PRO A CG 729 C CD . PRO A 92 ? 0.8898 0.9694 0.7995 0.0421 0.1122 -0.0385 92 PRO A CD 730 N N . GLY A 93 ? 0.7555 0.7856 0.6721 0.0192 0.0931 -0.0339 93 GLY A N 731 C CA . GLY A 93 ? 0.7027 0.7214 0.6182 0.0105 0.0888 -0.0315 93 GLY A CA 732 C C . GLY A 93 ? 0.7471 0.7632 0.6725 0.0063 0.0847 -0.0299 93 GLY A C 733 O O . GLY A 93 ? 0.7588 0.7834 0.6935 0.0089 0.0855 -0.0300 93 GLY A O 734 N N . VAL A 94 ? 0.7647 0.7698 0.6880 -0.0001 0.0803 -0.0284 94 VAL A N 735 C CA . VAL A 94 ? 0.7678 0.7702 0.6996 -0.0044 0.0763 -0.0267 94 VAL A CA 736 C C . VAL A 94 ? 0.6785 0.6903 0.6211 -0.0115 0.0766 -0.0224 94 VAL A C 737 O O . VAL A 94 ? 0.6691 0.6808 0.6085 -0.0157 0.0771 -0.0203 94 VAL A O 738 C CB . VAL A 94 ? 0.7448 0.7304 0.6677 -0.0071 0.0710 -0.0276 94 VAL A CB 739 C CG1 . VAL A 94 ? 0.6689 0.6536 0.6008 -0.0119 0.0670 -0.0255 94 VAL A CG1 740 C CG2 . VAL A 94 ? 0.6524 0.6256 0.5627 -0.0005 0.0701 -0.0319 94 VAL A CG2 741 N N . LEU A 95 ? 0.7172 0.7362 0.6715 -0.0128 0.0763 -0.0211 95 LEU A N 742 C CA . LEU A 95 ? 0.6869 0.7105 0.6498 -0.0197 0.0753 -0.0172 95 LEU A CA 743 C C . LEU A 95 ? 0.6784 0.6913 0.6410 -0.0229 0.0700 -0.0166 95 LEU A C 744 O O . LEU A 95 ? 0.6551 0.6648 0.6208 -0.0213 0.0675 -0.0179 95 LEU A O 745 C CB . LEU A 95 ? 0.6292 0.6656 0.6042 -0.0201 0.0774 -0.0161 95 LEU A CB 746 C CG . LEU A 95 ? 0.6326 0.6767 0.6141 -0.0268 0.0786 -0.0121 95 LEU A CG 747 C CD1 . LEU A 95 ? 0.6195 0.6747 0.6121 -0.0275 0.0799 -0.0114 95 LEU A CD1 748 C CD2 . LEU A 95 ? 0.6349 0.6699 0.6154 -0.0321 0.0748 -0.0096 95 LEU A CD2 749 N N . ASN A 96 ? 0.6718 0.6799 0.6303 -0.0273 0.0681 -0.0145 96 ASN A N 750 C CA . ASN A 96 ? 0.6304 0.6305 0.5881 -0.0302 0.0631 -0.0137 96 ASN A CA 751 C C . ASN A 96 ? 0.6457 0.6495 0.6142 -0.0326 0.0613 -0.0118 96 ASN A C 752 O O . ASN A 96 ? 0.5591 0.5700 0.5343 -0.0345 0.0632 -0.0096 96 ASN A O 753 C CB . ASN A 96 ? 0.6915 0.6878 0.6426 -0.0338 0.0619 -0.0116 96 ASN A CB 754 C CG . ASN A 96 ? 0.8920 0.8784 0.8337 -0.0341 0.0582 -0.0131 96 ASN A CG 755 O OD1 . ASN A 96 ? 0.8896 0.8706 0.8222 -0.0313 0.0590 -0.0160 96 ASN A OD1 756 N ND2 . ASN A 96 ? 0.8845 0.8685 0.8276 -0.0377 0.0539 -0.0113 96 ASN A ND2 757 N N . GLU A 97 ? 0.6744 0.6730 0.6437 -0.0327 0.0575 -0.0126 97 GLU A N 758 C CA . GLU A 97 ? 0.5253 0.5268 0.5040 -0.0344 0.0554 -0.0112 97 GLU A CA 759 C C . GLU A 97 ? 0.5427 0.5521 0.5299 -0.0326 0.0583 -0.0115 97 GLU A C 760 O O . GLU A 97 ? 0.5233 0.5377 0.5179 -0.0350 0.0586 -0.0094 97 GLU A O 761 C CB . GLU A 97 ? 0.4991 0.5015 0.4798 -0.0382 0.0539 -0.0079 97 GLU A CB 762 C CG . GLU A 97 ? 0.5643 0.5610 0.5376 -0.0401 0.0506 -0.0072 97 GLU A CG 763 C CD . GLU A 97 ? 0.6990 0.6919 0.6717 -0.0406 0.0466 -0.0083 97 GLU A CD 764 O OE1 . GLU A 97 ? 0.8076 0.7963 0.7731 -0.0424 0.0439 -0.0082 97 GLU A OE1 765 O OE2 . GLU A 97 ? 0.6177 0.6121 0.5966 -0.0397 0.0459 -0.0091 97 GLU A OE2 766 N N . LEU A 98 ? 0.5089 0.5194 0.4944 -0.0282 0.0603 -0.0143 98 LEU A N 767 C CA . LEU A 98 ? 0.4953 0.5151 0.4885 -0.0259 0.0632 -0.0148 98 LEU A CA 768 C C . LEU A 98 ? 0.5235 0.5453 0.5258 -0.0271 0.0609 -0.0141 98 LEU A C 769 O O . LEU A 98 ? 0.4898 0.5199 0.5001 -0.0286 0.0625 -0.0128 98 LEU A O 770 C CB . LEU A 98 ? 0.4556 0.4751 0.4441 -0.0195 0.0651 -0.0180 98 LEU A CB 771 C CG . LEU A 98 ? 0.5592 0.5896 0.5553 -0.0159 0.0678 -0.0189 98 LEU A CG 772 C CD1 . LEU A 98 ? 0.5033 0.5464 0.5048 -0.0187 0.0717 -0.0167 98 LEU A CD1 773 C CD2 . LEU A 98 ? 0.4195 0.4476 0.4089 -0.0082 0.0691 -0.0223 98 LEU A CD2 774 N N . GLU A 99 ? 0.5738 0.5880 0.5742 -0.0268 0.0572 -0.0151 99 GLU A N 775 C CA . GLU A 99 ? 0.5161 0.5319 0.5242 -0.0273 0.0551 -0.0148 99 GLU A CA 776 C C . GLU A 99 ? 0.5440 0.5624 0.5579 -0.0319 0.0539 -0.0119 99 GLU A C 777 O O . GLU A 99 ? 0.4876 0.5111 0.5093 -0.0326 0.0540 -0.0113 99 GLU A O 778 C CB . GLU A 99 ? 0.4882 0.4951 0.4917 -0.0265 0.0514 -0.0163 99 GLU A CB 779 C CG . GLU A 99 ? 0.5031 0.5055 0.5007 -0.0213 0.0521 -0.0193 99 GLU A CG 780 C CD . GLU A 99 ? 0.6636 0.6604 0.6503 -0.0192 0.0536 -0.0207 99 GLU A CD 781 O OE1 . GLU A 99 ? 0.6704 0.6632 0.6520 -0.0228 0.0524 -0.0197 99 GLU A OE1 782 O OE2 . GLU A 99 ? 0.6873 0.6840 0.6702 -0.0135 0.0558 -0.0231 99 GLU A OE2 783 N N . GLU A 100 ? 0.5069 0.5215 0.5162 -0.0345 0.0528 -0.0103 100 GLU A N 784 C CA . GLU A 100 ? 0.5040 0.5200 0.5169 -0.0378 0.0518 -0.0076 100 GLU A CA 785 C C . GLU A 100 ? 0.5813 0.6030 0.5974 -0.0394 0.0552 -0.0061 100 GLU A C 786 O O . GLU A 100 ? 0.5639 0.5870 0.5846 -0.0416 0.0546 -0.0044 100 GLU A O 787 C CB . GLU A 100 ? 0.4753 0.4862 0.4817 -0.0395 0.0497 -0.0061 100 GLU A CB 788 C CG . GLU A 100 ? 0.5786 0.5861 0.5838 -0.0397 0.0456 -0.0066 100 GLU A CG 789 C CD . GLU A 100 ? 0.5848 0.5948 0.5969 -0.0404 0.0435 -0.0054 100 GLU A CD 790 O OE1 . GLU A 100 ? 0.6101 0.6213 0.6242 -0.0413 0.0436 -0.0033 100 GLU A OE1 791 O OE2 . GLU A 100 ? 0.6176 0.6277 0.6325 -0.0400 0.0416 -0.0065 100 GLU A OE2 792 N N . LEU A 101 ? 0.5396 0.5645 0.5527 -0.0384 0.0585 -0.0068 101 LEU A N 793 C CA . LEU A 101 ? 0.4799 0.5118 0.4958 -0.0407 0.0619 -0.0054 101 LEU A CA 794 C C . LEU A 101 ? 0.4874 0.5268 0.5120 -0.0406 0.0627 -0.0059 101 LEU A C 795 O O . LEU A 101 ? 0.5031 0.5455 0.5315 -0.0444 0.0632 -0.0040 101 LEU A O 796 C CB . LEU A 101 ? 0.5754 0.6112 0.5865 -0.0392 0.0656 -0.0061 101 LEU A CB 797 C CG . LEU A 101 ? 0.5452 0.5909 0.5597 -0.0422 0.0693 -0.0046 101 LEU A CG 798 C CD1 . LEU A 101 ? 0.5245 0.5663 0.5369 -0.0479 0.0687 -0.0011 101 LEU A CD1 799 C CD2 . LEU A 101 ? 0.5893 0.6415 0.6000 -0.0397 0.0733 -0.0058 101 LEU A CD2 800 N N . LYS A 102 ? 0.4951 0.5368 0.5218 -0.0363 0.0627 -0.0085 102 LYS A N 801 C CA . LYS A 102 ? 0.4767 0.5261 0.5115 -0.0356 0.0632 -0.0091 102 LYS A CA 802 C C . LYS A 102 ? 0.4839 0.5302 0.5235 -0.0384 0.0601 -0.0079 102 LYS A C 803 O O . LYS A 102 ? 0.5322 0.5844 0.5780 -0.0407 0.0607 -0.0072 102 LYS A O 804 C CB . LYS A 102 ? 0.5034 0.5537 0.5382 -0.0296 0.0631 -0.0121 102 LYS A CB 805 C CG . LYS A 102 ? 0.5681 0.6237 0.5990 -0.0254 0.0667 -0.0136 102 LYS A CG 806 C CD . LYS A 102 ? 0.5647 0.6203 0.5950 -0.0187 0.0664 -0.0165 102 LYS A CD 807 C CE . LYS A 102 ? 0.6162 0.6755 0.6408 -0.0132 0.0697 -0.0184 102 LYS A CE 808 N NZ . LYS A 102 ? 0.6531 0.7115 0.6762 -0.0057 0.0693 -0.0212 102 LYS A NZ 809 N N . ALA A 103 ? 0.4640 0.5016 0.5006 -0.0383 0.0569 -0.0078 103 ALA A N 810 C CA . ALA A 103 ? 0.4776 0.5125 0.5179 -0.0401 0.0540 -0.0068 103 ALA A CA 811 C C . ALA A 103 ? 0.4565 0.4903 0.4965 -0.0443 0.0544 -0.0042 103 ALA A C 812 O O . ALA A 103 ? 0.5183 0.5527 0.5624 -0.0462 0.0535 -0.0035 103 ALA A O 813 C CB . ALA A 103 ? 0.4537 0.4816 0.4907 -0.0390 0.0506 -0.0071 103 ALA A CB 814 N N . PHE A 104 ? 0.5051 0.5363 0.5390 -0.0457 0.0556 -0.0029 104 PHE A N 815 C CA . PHE A 104 ? 0.5300 0.5581 0.5613 -0.0496 0.0559 -0.0002 104 PHE A CA 816 C C . PHE A 104 ? 0.5207 0.5554 0.5558 -0.0533 0.0584 0.0005 104 PHE A C 817 O O . PHE A 104 ? 0.5455 0.5776 0.5815 -0.0565 0.0575 0.0019 104 PHE A O 818 C CB . PHE A 104 ? 0.4625 0.4866 0.4859 -0.0503 0.0567 0.0012 104 PHE A CB 819 C CG . PHE A 104 ? 0.5457 0.5654 0.5649 -0.0544 0.0571 0.0041 104 PHE A CG 820 C CD1 . PHE A 104 ? 0.5825 0.5943 0.5994 -0.0545 0.0541 0.0057 104 PHE A CD1 821 C CD2 . PHE A 104 ? 0.5410 0.5642 0.5577 -0.0579 0.0604 0.0054 104 PHE A CD2 822 C CE1 . PHE A 104 ? 0.6295 0.6349 0.6406 -0.0580 0.0542 0.0084 104 PHE A CE1 823 C CE2 . PHE A 104 ? 0.5983 0.6158 0.6097 -0.0624 0.0605 0.0084 104 PHE A CE2 824 C CZ . PHE A 104 ? 0.5919 0.5994 0.5999 -0.0623 0.0573 0.0099 104 PHE A CZ 825 N N . ILE A 105 ? 0.4341 0.4775 0.4709 -0.0526 0.0615 -0.0005 105 ILE A N 826 C CA . ILE A 105 ? 0.4286 0.4815 0.4696 -0.0563 0.0642 0.0002 105 ILE A CA 827 C C . ILE A 105 ? 0.4929 0.5496 0.5414 -0.0564 0.0627 -0.0007 105 ILE A C 828 O O . ILE A 105 ? 0.4878 0.5467 0.5382 -0.0614 0.0629 0.0007 105 ILE A O 829 C CB . ILE A 105 ? 0.4916 0.5553 0.5332 -0.0540 0.0679 -0.0011 105 ILE A CB 830 C CG1 . ILE A 105 ? 0.4423 0.5038 0.4764 -0.0557 0.0699 0.0004 105 ILE A CG1 831 C CG2 . ILE A 105 ? 0.4744 0.5516 0.5225 -0.0566 0.0702 -0.0008 105 ILE A CG2 832 C CD1 . ILE A 105 ? 0.4792 0.5501 0.5124 -0.0522 0.0735 -0.0011 105 ILE A CD1 833 N N . GLY A 106 ? 0.5275 0.5839 0.5792 -0.0514 0.0610 -0.0030 106 GLY A N 834 C CA . GLY A 106 ? 0.4472 0.5063 0.5055 -0.0511 0.0593 -0.0039 106 GLY A CA 835 C C . GLY A 106 ? 0.4812 0.5327 0.5389 -0.0547 0.0567 -0.0024 106 GLY A C 836 O O . GLY A 106 ? 0.5076 0.5622 0.5697 -0.0570 0.0560 -0.0024 106 GLY A O 837 N N . SER A 107 ? 0.5125 0.5540 0.5639 -0.0551 0.0553 -0.0011 107 SER A N 838 C CA . SER A 107 ? 0.4790 0.5120 0.5280 -0.0573 0.0528 0.0003 107 SER A CA 839 C C . SER A 107 ? 0.5713 0.6019 0.6164 -0.0634 0.0540 0.0026 107 SER A C 840 O O . SER A 107 ? 0.5973 0.6182 0.6376 -0.0652 0.0521 0.0040 107 SER A O 841 C CB . SER A 107 ? 0.4867 0.5107 0.5301 -0.0544 0.0506 0.0009 107 SER A CB 842 O OG . SER A 107 ? 0.5154 0.5351 0.5518 -0.0561 0.0517 0.0028 107 SER A OG 843 N N . GLY A 108 ? 0.5918 0.6310 0.6381 -0.0666 0.0572 0.0031 108 GLY A N 844 C CA . GLY A 108 ? 0.5506 0.5882 0.5922 -0.0735 0.0585 0.0056 108 GLY A CA 845 C C . GLY A 108 ? 0.5420 0.5879 0.5885 -0.0789 0.0594 0.0058 108 GLY A C 846 O O . GLY A 108 ? 0.4901 0.5448 0.5444 -0.0766 0.0592 0.0039 108 GLY A O 847 N N . GLU A 109 ? 0.6091 0.6523 0.6502 -0.0864 0.0602 0.0083 109 GLU A N 848 C CA . GLU A 109 ? 0.6448 0.6931 0.6883 -0.0934 0.0602 0.0091 109 GLU A CA 849 C C . GLU A 109 ? 0.6482 0.7050 0.6894 -0.1012 0.0633 0.0115 109 GLU A C 850 O O . GLU A 109 ? 0.6145 0.6841 0.6608 -0.1064 0.0646 0.0118 109 GLU A O 851 C CB . GLU A 109 ? 0.6600 0.6918 0.6965 -0.0962 0.0568 0.0100 109 GLU A CB 852 C CG . GLU A 109 ? 0.7111 0.7451 0.7494 -0.1026 0.0557 0.0102 109 GLU A CG 853 C CD . GLU A 109 ? 0.7864 0.8019 0.8168 -0.1033 0.0521 0.0105 109 GLU A CD 854 O OE1 . GLU A 109 ? 0.7947 0.7956 0.8137 -0.1064 0.0514 0.0127 109 GLU A OE1 855 O OE2 . GLU A 109 ? 0.9986 1.0136 1.0332 -0.1003 0.0501 0.0085 109 GLU A OE2 856 N N . ARG A 110 ? 0.5796 0.6302 0.6131 -0.1021 0.0645 0.0133 110 ARG A N 857 C CA . ARG A 110 ? 0.6729 0.7284 0.7018 -0.1105 0.0672 0.0161 110 ARG A CA 858 C C . ARG A 110 ? 0.6861 0.7375 0.7085 -0.1084 0.0689 0.0173 110 ARG A C 859 O O . ARG A 110 ? 0.6704 0.7072 0.6867 -0.1039 0.0668 0.0173 110 ARG A O 860 C CB . ARG A 110 ? 0.6812 0.7242 0.7017 -0.1198 0.0650 0.0187 110 ARG A CB 861 C CG . ARG A 110 ? 0.7380 0.7826 0.7512 -0.1301 0.0672 0.0223 110 ARG A CG 862 C CD . ARG A 110 ? 0.8170 0.8428 0.8185 -0.1383 0.0643 0.0247 110 ARG A CD 863 N NE . ARG A 110 ? 1.0596 1.0717 1.0480 -0.1418 0.0646 0.0279 110 ARG A NE 864 C CZ . ARG A 110 ? 1.0864 1.0754 1.0613 -0.1444 0.0614 0.0298 110 ARG A CZ 865 N NH1 . ARG A 110 ? 1.1099 1.0872 1.0729 -0.1469 0.0618 0.0327 110 ARG A NH1 866 N NH2 . ARG A 110 ? 1.0383 1.0153 1.0109 -0.1439 0.0579 0.0286 110 ARG A NH2 867 N N . VAL A 111 ? 0.5601 0.6253 0.5836 -0.1112 0.0728 0.0183 111 VAL A N 868 C CA . VAL A 111 ? 0.6205 0.6815 0.6364 -0.1108 0.0745 0.0199 111 VAL A CA 869 C C . VAL A 111 ? 0.6374 0.7023 0.6473 -0.1216 0.0769 0.0235 111 VAL A C 870 O O . VAL A 111 ? 0.7024 0.7835 0.7178 -0.1271 0.0790 0.0240 111 VAL A O 871 C CB . VAL A 111 ? 0.5371 0.6099 0.5581 -0.1026 0.0772 0.0173 111 VAL A CB 872 C CG1 . VAL A 111 ? 0.5302 0.5967 0.5549 -0.0930 0.0746 0.0141 111 VAL A CG1 873 C CG2 . VAL A 111 ? 0.4922 0.5875 0.5219 -0.1034 0.0808 0.0164 111 VAL A CG2 874 N N . GLU A 112 ? 0.6894 0.7395 0.6875 -0.1248 0.0763 0.0263 112 GLU A N 875 C CA . GLU A 112 ? 0.7240 0.7771 0.7147 -0.1346 0.0788 0.0300 112 GLU A CA 876 C C . GLU A 112 ? 0.6786 0.7364 0.6665 -0.1308 0.0818 0.0302 112 GLU A C 877 O O . GLU A 112 ? 0.6795 0.7231 0.6606 -0.1260 0.0802 0.0304 112 GLU A O 878 C CB . GLU A 112 ? 0.8022 0.8334 0.7792 -0.1420 0.0758 0.0335 112 GLU A CB 879 C CG . GLU A 112 ? 0.9223 0.9473 0.8988 -0.1482 0.0731 0.0339 112 GLU A CG 880 C CD . GLU A 112 ? 1.1729 1.1754 1.1331 -0.1564 0.0706 0.0376 112 GLU A CD 881 O OE1 . GLU A 112 ? 1.0993 1.0965 1.0499 -0.1599 0.0719 0.0406 112 GLU A OE1 882 O OE2 . GLU A 112 ? 1.1175 1.1069 1.0738 -0.1590 0.0671 0.0376 112 GLU A OE2 883 N N . ARG A 113 ? 0.5557 0.6342 0.5487 -0.1329 0.0862 0.0303 113 ARG A N 884 C CA . ARG A 113 ? 0.5675 0.6507 0.5564 -0.1303 0.0894 0.0308 113 ARG A CA 885 C C . ARG A 113 ? 0.6373 0.7101 0.6131 -0.1398 0.0897 0.0354 113 ARG A C 886 O O . ARG A 113 ? 0.6383 0.7110 0.6106 -0.1506 0.0897 0.0385 113 ARG A O 887 C CB . ARG A 113 ? 0.5466 0.6559 0.5446 -0.1287 0.0941 0.0292 113 ARG A CB 888 C CG . ARG A 113 ? 0.5274 0.6424 0.5221 -0.1234 0.0975 0.0285 113 ARG A CG 889 C CD . ARG A 113 ? 0.5265 0.6657 0.5313 -0.1176 0.1014 0.0256 113 ARG A CD 890 N NE . ARG A 113 ? 0.6347 0.7811 0.6357 -0.1133 0.1051 0.0250 113 ARG A NE 891 C CZ . ARG A 113 ? 0.6703 0.8309 0.6685 -0.1194 0.1093 0.0276 113 ARG A CZ 892 N NH1 . ARG A 113 ? 0.6424 0.8113 0.6411 -0.1309 0.1102 0.0311 113 ARG A NH1 893 N NH2 . ARG A 113 ? 0.6339 0.8003 0.6281 -0.1144 0.1127 0.0266 113 ARG A NH2 894 N N . PHE A 114 ? 0.5947 0.6578 0.5624 -0.1361 0.0899 0.0360 114 PHE A N 895 C CA . PHE A 114 ? 0.6164 0.6690 0.5707 -0.1441 0.0903 0.0405 114 PHE A CA 896 C C . PHE A 114 ? 0.7583 0.8120 0.7081 -0.1387 0.0924 0.0402 114 PHE A C 897 O O . PHE A 114 ? 0.7189 0.7748 0.6737 -0.1284 0.0922 0.0366 114 PHE A O 898 C CB . PHE A 114 ? 0.6329 0.6596 0.5767 -0.1463 0.0853 0.0426 114 PHE A CB 899 C CG . PHE A 114 ? 0.7502 0.7621 0.6907 -0.1361 0.0823 0.0410 114 PHE A CG 900 C CD1 . PHE A 114 ? 0.7101 0.7234 0.6601 -0.1265 0.0803 0.0369 114 PHE A CD1 901 C CD2 . PHE A 114 ? 0.6917 0.6888 0.6192 -0.1364 0.0813 0.0438 114 PHE A CD2 902 C CE1 . PHE A 114 ? 0.6290 0.6306 0.5761 -0.1179 0.0774 0.0356 114 PHE A CE1 903 C CE2 . PHE A 114 ? 0.6772 0.6628 0.6020 -0.1272 0.0783 0.0424 114 PHE A CE2 904 C CZ . PHE A 114 ? 0.7180 0.7063 0.6528 -0.1182 0.0764 0.0383 114 PHE A CZ 905 N N . GLU A 115 ? 0.8561 0.9078 0.7955 -0.1461 0.0944 0.0441 115 GLU A N 906 C CA . GLU A 115 ? 0.8527 0.9056 0.7867 -0.1418 0.0966 0.0442 115 GLU A CA 907 C C . GLU A 115 ? 0.8577 0.8876 0.7821 -0.1369 0.0924 0.0448 115 GLU A C 908 O O . GLU A 115 ? 0.9052 0.9179 0.8181 -0.1428 0.0900 0.0486 115 GLU A O 909 C CB . GLU A 115 ? 0.8709 0.9324 0.7978 -0.1519 0.1006 0.0482 115 GLU A CB 910 C CG . GLU A 115 ? 0.8855 0.9534 0.8084 -0.1474 0.1038 0.0478 115 GLU A CG 911 C CD . GLU A 115 ? 0.9520 1.0326 0.8696 -0.1574 0.1084 0.0516 115 GLU A CD 912 O OE1 . GLU A 115 ? 0.8779 0.9731 0.7964 -0.1539 0.1126 0.0503 115 GLU A OE1 913 O OE2 . GLU A 115 ? 1.0330 1.1086 0.9446 -0.1691 0.1077 0.0558 115 GLU A OE2 914 N N . MET A 116 ? 0.8455 0.8751 0.7739 -0.1262 0.0915 0.0411 116 MET A N 915 C CA . MET A 116 ? 0.8401 0.8509 0.7611 -0.1206 0.0872 0.0413 116 MET A CA 916 C C . MET A 116 ? 0.8485 0.8550 0.7585 -0.1210 0.0885 0.0435 116 MET A C 917 O O . MET A 116 ? 0.9594 0.9492 0.8579 -0.1233 0.0858 0.0469 116 MET A O 918 C CB . MET A 116 ? 0.8165 0.8292 0.7466 -0.1100 0.0853 0.0365 116 MET A CB 919 C CG . MET A 116 ? 0.8294 0.8246 0.7543 -0.1045 0.0802 0.0366 116 MET A CG 920 S SD . MET A 116 ? 0.7651 0.7636 0.7009 -0.0940 0.0777 0.0314 116 MET A SD 921 C CE . MET A 116 ? 0.6883 0.6678 0.6162 -0.0897 0.0720 0.0329 116 MET A CE 922 N N . PHE A 117 ? 0.7697 0.7909 0.6826 -0.1183 0.0924 0.0415 117 PHE A N 923 C CA . PHE A 117 ? 0.7495 0.7693 0.6522 -0.1192 0.0944 0.0435 117 PHE A CA 924 C C . PHE A 117 ? 0.7836 0.8218 0.6873 -0.1249 0.1002 0.0445 117 PHE A C 925 O O . PHE A 117 ? 0.7557 0.8104 0.6673 -0.1199 0.1034 0.0409 117 PHE A O 926 C CB . PHE A 117 ? 0.7614 0.7802 0.6641 -0.1094 0.0934 0.0400 117 PHE A CB 927 C CG . PHE A 117 ? 0.7038 0.7066 0.6047 -0.1039 0.0879 0.0394 117 PHE A CG 928 C CD1 . PHE A 117 ? 0.7286 0.7159 0.6177 -0.1048 0.0849 0.0428 117 PHE A CD1 929 C CD2 . PHE A 117 ? 0.6984 0.7026 0.6091 -0.0974 0.0855 0.0355 117 PHE A CD2 930 C CE1 . PHE A 117 ? 0.7828 0.7577 0.6705 -0.0989 0.0798 0.0423 117 PHE A CE1 931 C CE2 . PHE A 117 ? 0.6858 0.6776 0.5951 -0.0924 0.0806 0.0351 117 PHE A CE2 932 C CZ . PHE A 117 ? 0.7339 0.7117 0.6319 -0.0929 0.0777 0.0384 117 PHE A CZ 933 N N . PRO A 118 ? 0.9401 0.9758 0.8352 -0.1354 0.1015 0.0494 118 PRO A N 934 C CA . PRO A 118 ? 0.8880 0.9420 0.7826 -0.1417 0.1072 0.0510 118 PRO A CA 935 C C . PRO A 118 ? 0.8871 0.9479 0.7785 -0.1353 0.1101 0.0491 118 PRO A C 936 O O . PRO A 118 ? 0.8826 0.9287 0.7669 -0.1304 0.1072 0.0489 118 PRO A O 937 C CB . PRO A 118 ? 0.8664 0.9090 0.7482 -0.1538 0.1066 0.0572 118 PRO A CB 938 C CG . PRO A 118 ? 0.9207 0.9414 0.7990 -0.1540 0.1008 0.0583 118 PRO A CG 939 C CD . PRO A 118 ? 0.9359 0.9504 0.8198 -0.1414 0.0976 0.0538 118 PRO A CD 940 N N . LYS A 119 ? 0.8534 0.9361 0.7498 -0.1351 0.1155 0.0476 119 LYS A N 941 C CA . LYS A 119 ? 0.8657 0.9550 0.7586 -0.1283 0.1184 0.0452 119 LYS A CA 942 C C . LYS A 119 ? 0.9477 1.0239 0.8256 -0.1321 0.1178 0.0491 119 LYS A C 943 O O . LYS A 119 ? 0.9760 1.0487 0.8487 -0.1255 0.1179 0.0471 119 LYS A O 944 C CB . LYS A 119 ? 0.7869 0.9026 0.6857 -0.1285 0.1248 0.0439 119 LYS A CB 945 C CG . LYS A 119 ? 0.8012 0.9323 0.7144 -0.1247 0.1258 0.0404 119 LYS A CG 946 C CD . LYS A 119 ? 0.7232 0.8749 0.6411 -0.1163 0.1308 0.0363 119 LYS A CD 947 C CE . LYS A 119 ? 0.7302 0.9048 0.6605 -0.1172 0.1338 0.0353 119 LYS A CE 948 N NZ . LYS A 119 ? 0.8589 1.0499 0.7948 -0.1054 0.1372 0.0300 119 LYS A NZ 949 N N . SER A 120 ? 1.0124 1.0804 0.8827 -0.1429 0.1170 0.0546 120 SER A N 950 C CA . SER A 120 ? 1.0580 1.1130 0.9129 -0.1475 0.1164 0.0589 120 SER A CA 951 C C . SER A 120 ? 1.0217 1.0523 0.8697 -0.1425 0.1103 0.0592 120 SER A C 952 O O . SER A 120 ? 1.0995 1.1153 0.9342 -0.1464 0.1085 0.0634 120 SER A O 953 C CB . SER A 120 ? 1.0728 1.1267 0.9206 -0.1615 0.1176 0.0649 120 SER A CB 954 O OG . SER A 120 ? 1.1076 1.1519 0.9587 -0.1656 0.1139 0.0660 120 SER A OG 955 N N . THR A 121 ? 1.0630 1.0906 0.9197 -0.1334 0.1072 0.0548 121 THR A N 956 C CA . THR A 121 ? 1.0431 1.0510 0.8952 -0.1280 0.1014 0.0547 121 THR A CA 957 C C . THR A 121 ? 1.0514 1.0584 0.8986 -0.1210 0.1014 0.0527 121 THR A C 958 O O . THR A 121 ? 1.0314 1.0235 0.8696 -0.1190 0.0977 0.0544 121 THR A O 959 C CB . THR A 121 ? 1.0072 1.0144 0.8715 -0.1215 0.0983 0.0506 121 THR A CB 960 O OG1 . THR A 121 ? 0.9810 0.9697 0.8412 -0.1221 0.0931 0.0529 121 THR A OG1 961 N N . TRP A 122 ? 0.9247 0.9479 0.7776 -0.1170 0.1054 0.0488 122 TRP A N 962 C CA . TRP A 122 ? 0.9466 0.9696 0.7959 -0.1093 0.1053 0.0456 122 TRP A CA 963 C C . TRP A 122 ? 1.0165 1.0438 0.8547 -0.1127 0.1092 0.0479 122 TRP A C 964 O O . TRP A 122 ? 0.8871 0.9311 0.7273 -0.1143 0.1147 0.0471 122 TRP A O 965 C CB . TRP A 122 ? 0.9114 0.9469 0.7716 -0.1016 0.1071 0.0396 122 TRP A CB 966 C CG . TRP A 122 ? 0.9852 1.0213 0.8575 -0.1001 0.1049 0.0377 122 TRP A CG 967 C CD1 . TRP A 122 ? 0.9340 0.9843 0.8164 -0.1019 0.1079 0.0366 122 TRP A CD1 968 C CD2 . TRP A 122 ? 0.8910 0.9139 0.7664 -0.0965 0.0991 0.0368 122 TRP A CD2 969 N NE1 . TRP A 122 ? 0.8870 0.9327 0.7783 -0.0998 0.1044 0.0351 122 TRP A NE1 970 C CE2 . TRP A 122 ? 0.8744 0.9035 0.7616 -0.0965 0.0991 0.0352 122 TRP A CE2 971 C CE3 . TRP A 122 ? 0.9033 0.9112 0.7729 -0.0933 0.0941 0.0374 122 TRP A CE3 972 C CZ2 . TRP A 122 ? 0.8525 0.8727 0.7454 -0.0933 0.0944 0.0340 122 TRP A CZ2 973 C CZ3 . TRP A 122 ? 0.8694 0.8697 0.7451 -0.0900 0.0894 0.0362 122 TRP A CZ3 974 C CH2 . TRP A 122 ? 0.8243 0.8304 0.7113 -0.0901 0.0897 0.0345 122 TRP A CH2 975 N N . ALA A 123 ? 1.1223 1.1351 0.9487 -0.1132 0.1061 0.0508 123 ALA A N 976 C CA . ALA A 123 ? 1.1037 1.1170 0.9176 -0.1178 0.1089 0.0542 123 ALA A CA 977 C C . ALA A 123 ? 1.1443 1.1661 0.9550 -0.1119 0.1118 0.0504 123 ALA A C 978 O O . ALA A 123 ? 1.1324 1.1474 0.9418 -0.1047 0.1085 0.0473 123 ALA A O 979 C CB . ALA A 123 ? 1.0280 1.0213 0.8296 -0.1200 0.1040 0.0588 123 ALA A CB 980 N N . GLY A 124 ? 1.0685 1.1054 0.8774 -0.1153 0.1178 0.0509 124 GLY A N 981 C CA . GLY A 124 ? 1.0454 1.0895 0.8483 -0.1105 0.1211 0.0481 124 GLY A CA 982 C C . GLY A 124 ? 1.0858 1.1427 0.8976 -0.1020 0.1237 0.0415 124 GLY A C 983 O O . GLY A 124 ? 1.1064 1.1628 0.9131 -0.0954 0.1240 0.0378 124 GLY A O 984 N N . VAL A 125 ? 0.9694 1.0372 0.7937 -0.1021 0.1253 0.0400 125 VAL A N 985 C CA . VAL A 125 ? 0.9710 1.0491 0.8037 -0.0931 0.1271 0.0337 125 VAL A CA 986 C C . VAL A 125 ? 0.9292 1.0275 0.7722 -0.0955 0.1320 0.0337 125 VAL A C 987 O O . VAL A 125 ? 0.8985 1.0006 0.7436 -0.1046 0.1328 0.0383 125 VAL A O 988 C CB . VAL A 125 ? 0.9063 0.9722 0.7457 -0.0871 0.1213 0.0304 125 VAL A CB 989 C CG1 . VAL A 125 ? 0.8886 0.9387 0.7189 -0.0828 0.1168 0.0289 125 VAL A CG1 990 C CG2 . VAL A 125 ? 0.8849 0.9446 0.7314 -0.0927 0.1179 0.0337 125 VAL A CG2 991 N N . ASP A 126 ? 1.0243 1.1351 0.8731 -0.0872 0.1349 0.0284 126 ASP A N 992 C CA . ASP A 126 ? 1.0725 1.2053 0.9309 -0.0883 0.1399 0.0281 126 ASP A CA 993 C C . ASP A 126 ? 1.1157 1.2492 0.9875 -0.0861 0.1372 0.0262 126 ASP A C 994 O O . ASP A 126 ? 1.0443 1.1685 0.9189 -0.0781 0.1339 0.0218 126 ASP A O 995 C CB . ASP A 126 ? 1.0856 1.2342 0.9418 -0.0800 0.1454 0.0238 126 ASP A CB 996 C CG . ASP A 126 ? 1.2165 1.3917 1.0801 -0.0827 0.1516 0.0249 126 ASP A CG 997 O OD1 . ASP A 126 ? 1.1562 1.3373 1.0272 -0.0915 0.1513 0.0288 126 ASP A OD1 998 O OD2 . ASP A 126 ? 1.3616 1.5523 1.2230 -0.0761 0.1567 0.0219 126 ASP A OD2 999 N N . THR A 127 ? 1.0150 1.1595 0.8944 -0.0940 0.1387 0.0295 127 THR A N 1000 C CA . THR A 127 ? 0.8821 1.0275 0.7738 -0.0936 0.1362 0.0285 127 THR A CA 1001 C C . THR A 127 ? 0.9689 1.1399 0.8708 -0.0930 0.1411 0.0274 127 THR A C 1002 O O . THR A 127 ? 0.9386 1.1141 0.8506 -0.0958 0.1397 0.0279 127 THR A O 1003 C CB . THR A 127 ? 0.8805 1.0131 0.7720 -0.1040 0.1322 0.0336 127 THR A CB 1004 O OG1 . THR A 127 ? 0.8893 1.0339 0.7790 -0.1150 0.1358 0.0386 127 THR A OG1 1005 C CG2 . THR A 127 ? 0.8634 0.9723 0.7443 -0.1045 0.1274 0.0352 127 THR A CG2 1006 N N . SER A 128 ? 0.9088 1.0973 0.8081 -0.0891 0.1467 0.0259 128 SER A N 1007 C CA . SER A 128 ? 0.8640 1.0801 0.7726 -0.0892 0.1518 0.0256 128 SER A CA 1008 C C . SER A 128 ? 0.8120 1.0410 0.7229 -0.0753 0.1551 0.0196 128 SER A C 1009 O O . SER A 128 ? 0.7530 1.0064 0.6718 -0.0731 0.1594 0.0187 128 SER A O 1010 C CB . SER A 128 ? 0.9087 1.1403 0.8128 -0.0999 0.1566 0.0308 128 SER A CB 1011 O OG . SER A 128 ? 1.0620 1.2881 0.9533 -0.0983 0.1584 0.0309 128 SER A OG 1012 N N . ARG A 129 ? 1.1652 1.3778 1.0686 -0.0659 0.1530 0.0154 129 ARG A N 1013 C CA . ARG A 129 ? 1.2585 1.4794 1.1610 -0.0521 0.1558 0.0094 129 ARG A CA 1014 C C . ARG A 129 ? 1.2233 1.4283 1.1288 -0.0430 0.1510 0.0047 129 ARG A C 1015 O O . ARG A 129 ? 1.1971 1.4022 1.0993 -0.0311 0.1520 -0.0006 129 ARG A O 1016 C CB . ARG A 129 ? 1.3127 1.5303 1.2014 -0.0478 0.1585 0.0079 129 ARG A CB 1017 C CG . ARG A 129 ? 1.4382 1.6801 1.3262 -0.0394 0.1653 0.0050 129 ARG A CG 1018 C CD . ARG A 129 ? 1.5535 1.7985 1.4287 -0.0402 0.1693 0.0060 129 ARG A CD 1019 N NE . ARG A 129 ? 1.6673 1.9293 1.5441 -0.0527 0.1731 0.0121 129 ARG A NE 1020 C CZ . ARG A 129 ? 1.7015 1.9515 1.5717 -0.0642 0.1712 0.0172 129 ARG A CZ 1021 N NH1 . ARG A 129 ? 1.6334 1.8562 1.4957 -0.0639 0.1658 0.0167 129 ARG A NH1 1022 N NH2 . ARG A 129 ? 1.6757 1.9408 1.5464 -0.0759 0.1746 0.0229 129 ARG A NH2 1023 N N . GLY A 130 ? 1.0688 1.2603 0.9801 -0.0488 0.1457 0.0066 130 GLY A N 1024 C CA . GLY A 130 ? 0.8319 1.0090 0.7468 -0.0419 0.1408 0.0028 130 GLY A CA 1025 C C . GLY A 130 ? 0.8689 1.0613 0.7956 -0.0365 0.1421 0.0005 130 GLY A C 1026 O O . GLY A 130 ? 0.8747 1.0647 0.8107 -0.0405 0.1389 0.0018 130 GLY A O 1027 N N . VAL A 131 ? 0.7612 0.9693 0.6870 -0.0270 0.1467 -0.0030 131 VAL A N 1028 C CA . VAL A 131 ? 0.7376 0.9609 0.6735 -0.0198 0.1480 -0.0056 131 VAL A CA 1029 C C . VAL A 131 ? 0.7553 0.9713 0.6844 -0.0048 0.1479 -0.0119 131 VAL A C 1030 O O . VAL A 131 ? 0.8189 1.0199 0.7355 -0.0010 0.1473 -0.0141 131 VAL A O 1031 C CB . VAL A 131 ? 0.8384 1.0931 0.7809 -0.0221 0.1543 -0.0034 131 VAL A CB 1032 C CG1 . VAL A 131 ? 0.6961 0.9572 0.6446 -0.0379 0.1540 0.0030 131 VAL A CG1 1033 C CG2 . VAL A 131 ? 0.8421 1.1072 0.7747 -0.0166 0.1597 -0.0049 131 VAL A CG2 1034 N N . THR A 132 ? 0.8219 1.0479 0.7583 0.0035 0.1484 -0.0148 132 THR A N 1035 C CA . THR A 132 ? 0.8081 1.0251 0.7373 0.0181 0.1478 -0.0208 132 THR A CA 1036 C C . THR A 132 ? 0.8474 1.0831 0.7858 0.0270 0.1499 -0.0230 132 THR A C 1037 O O . THR A 132 ? 0.8436 1.0915 0.7951 0.0212 0.1493 -0.0203 132 THR A O 1038 C CB . THR A 132 ? 0.8471 1.0342 0.7714 0.0186 0.1411 -0.0227 132 THR A CB 1039 O OG1 . THR A 132 ? 0.9162 1.0942 0.8330 0.0321 0.1403 -0.0284 132 THR A OG1 1040 C CG2 . THR A 132 ? 0.8326 1.0170 0.7694 0.0112 0.1369 -0.0200 132 THR A CG2 1041 N N . ASN A 133 ? 0.9444 1.1815 0.8749 0.0414 0.1521 -0.0280 133 ASN A N 1042 C CA . ASN A 133 ? 0.9412 1.1965 0.8790 0.0518 0.1542 -0.0303 133 ASN A CA 1043 C C . ASN A 133 ? 0.9075 1.1463 0.8488 0.0555 0.1486 -0.0324 133 ASN A C 1044 O O . ASN A 133 ? 0.8760 1.1278 0.8245 0.0630 0.1492 -0.0338 133 ASN A O 1045 C CB . ASN A 133 ? 1.0171 1.2796 0.9439 0.0672 0.1587 -0.0351 133 ASN A CB 1046 C CG . ASN A 133 ? 1.1639 1.3956 1.0735 0.0760 0.1554 -0.0401 133 ASN A CG 1047 O OD1 . ASN A 133 ? 1.2033 1.4119 1.1113 0.0760 0.1497 -0.0414 133 ASN A OD1 1048 N ND2 . ASN A 133 ? 1.1949 1.4262 1.0910 0.0832 0.1590 -0.0427 133 ASN A ND2 1049 N N . ALA A 134 ? 0.9438 1.1546 0.8795 0.0505 0.1431 -0.0325 134 ALA A N 1050 C CA . ALA A 134 ? 0.9639 1.1587 0.9033 0.0516 0.1375 -0.0337 134 ALA A CA 1051 C C . ALA A 134 ? 0.8874 1.0949 0.8434 0.0413 0.1363 -0.0293 134 ALA A C 1052 O O . ALA A 134 ? 0.8392 1.0453 0.8022 0.0438 0.1335 -0.0301 134 ALA A O 1053 C CB . ALA A 134 ? 0.9389 1.1029 0.8681 0.0480 0.1321 -0.0346 134 ALA A CB 1054 N N . CYS A 135 ? 0.8308 1.0502 0.7919 0.0296 0.1384 -0.0247 135 CYS A N 1055 C CA . CYS A 135 ? 0.7824 1.0122 0.7573 0.0184 0.1373 -0.0203 135 CYS A CA 1056 C C . CYS A 135 ? 0.7847 1.0463 0.7683 0.0148 0.1427 -0.0175 135 CYS A C 1057 O O . CYS A 135 ? 0.7721 1.0404 0.7578 0.0028 0.1441 -0.0131 135 CYS A O 1058 C CB . CYS A 135 ? 0.7974 1.0102 0.7705 0.0055 0.1339 -0.0166 135 CYS A CB 1059 S SG . CYS A 135 ? 0.9730 1.1521 0.9395 0.0068 0.1267 -0.0188 135 CYS A SG 1060 N N . PRO A 136 ? 0.6352 0.9169 0.6237 0.0250 0.1456 -0.0198 136 PRO A N 1061 C CA . PRO A 136 ? 0.7092 1.0240 0.7074 0.0207 0.1505 -0.0168 136 PRO A CA 1062 C C . PRO A 136 ? 0.7587 1.0806 0.7696 0.0076 0.1482 -0.0124 136 PRO A C 1063 O O . PRO A 136 ? 0.8009 1.1076 0.8156 0.0068 0.1433 -0.0130 136 PRO A O 1064 C CB . PRO A 136 ? 0.7501 1.0818 0.7504 0.0365 0.1531 -0.0208 136 PRO A CB 1065 C CG . PRO A 136 ? 0.6459 0.9525 0.6423 0.0449 0.1479 -0.0247 136 PRO A CG 1066 C CD . PRO A 136 ? 0.6767 0.9527 0.6617 0.0405 0.1446 -0.0250 136 PRO A CD 1067 N N . SER A 137 ? 0.7112 1.0554 0.7278 -0.0030 0.1517 -0.0081 137 SER A N 1068 C CA . SER A 137 ? 0.5872 0.9441 0.6162 -0.0138 0.1502 -0.0044 137 SER A CA 1069 C C . SER A 137 ? 0.6686 1.0572 0.7069 -0.0060 0.1537 -0.0056 137 SER A C 1070 O O . SER A 137 ? 0.6867 1.0805 0.7217 0.0094 0.1557 -0.0099 137 SER A O 1071 C CB . SER A 137 ? 0.6500 1.0116 0.6790 -0.0310 0.1514 0.0013 137 SER A CB 1072 O OG . SER A 137 ? 0.7729 1.1639 0.8032 -0.0330 0.1574 0.0032 137 SER A OG 1073 N N . TYR A 138 ? 0.7857 1.1954 0.8352 -0.0161 0.1541 -0.0019 138 TYR A N 1074 C CA . TYR A 138 ? 0.8097 1.2516 0.8691 -0.0091 0.1571 -0.0028 138 TYR A CA 1075 C C . TYR A 138 ? 0.8822 1.3551 0.9415 -0.0100 0.1638 -0.0010 138 TYR A C 1076 O O . TYR A 138 ? 0.8296 1.3329 0.8958 -0.0022 0.1673 -0.0020 138 TYR A O 1077 C CB . TYR A 138 ? 0.7986 1.2496 0.8701 -0.0191 0.1540 0.0001 138 TYR A CB 1078 C CG . TYR A 138 ? 0.8367 1.2685 0.9107 -0.0116 0.1487 -0.0030 138 TYR A CG 1079 C CD1 . TYR A 138 ? 0.8465 1.2652 0.9256 -0.0224 0.1437 -0.0009 138 TYR A CD1 1080 C CD2 . TYR A 138 ? 0.7896 1.2157 0.8600 0.0064 0.1485 -0.0082 138 TYR A CD2 1081 C CE1 . TYR A 138 ? 0.8268 1.2287 0.9081 -0.0156 0.1390 -0.0036 138 TYR A CE1 1082 C CE2 . TYR A 138 ? 0.8829 1.2911 0.9547 0.0128 0.1436 -0.0108 138 TYR A CE2 1083 C CZ . TYR A 138 ? 0.8833 1.2803 0.9611 0.0016 0.1389 -0.0084 138 TYR A CZ 1084 O OH . TYR A 138 ? 0.8945 1.2744 0.9736 0.0078 0.1342 -0.0109 138 TYR A OH 1085 N N . THR A 139 ? 0.9634 1.4290 1.0146 -0.0191 0.1656 0.0016 139 THR A N 1086 C CA . THR A 139 ? 0.9537 1.4471 1.0037 -0.0217 0.1720 0.0037 139 THR A CA 1087 C C . THR A 139 ? 1.0278 1.5085 1.0641 -0.0136 0.1746 0.0012 139 THR A C 1088 O O . THR A 139 ? 1.0249 1.5275 1.0591 -0.0039 0.1800 -0.0006 139 THR A O 1089 C CB . THR A 139 ? 0.9508 1.4528 1.0036 -0.0430 0.1724 0.0103 139 THR A CB 1090 O OG1 . THR A 139 ? 1.0314 1.4991 1.0756 -0.0523 0.1683 0.0120 139 THR A OG1 1091 C CG2 . THR A 139 ? 0.8670 1.3851 0.9329 -0.0512 0.1701 0.0128 139 THR A CG2 1092 N N . LEU A 140 ? 1.0696 1.5158 1.0964 -0.0173 0.1709 0.0010 140 LEU A N 1093 C CA . LEU A 140 ? 1.0479 1.4789 1.0609 -0.0100 0.1726 -0.0016 140 LEU A CA 1094 C C . LEU A 140 ? 1.0386 1.4499 1.0456 0.0074 0.1701 -0.0079 140 LEU A C 1095 O O . LEU A 140 ? 1.0403 1.4368 1.0515 0.0097 0.1653 -0.0094 140 LEU A O 1096 C CB . LEU A 140 ? 0.9890 1.3938 0.9936 -0.0229 0.1698 0.0016 140 LEU A CB 1097 C CG . LEU A 140 ? 1.1231 1.5383 1.1307 -0.0418 0.1709 0.0082 140 LEU A CG 1098 C CD1 . LEU A 140 ? 1.1043 1.4929 1.1002 -0.0505 0.1688 0.0106 140 LEU A CD1 1099 C CD2 . LEU A 140 ? 1.1880 1.6406 1.1991 -0.0437 0.1777 0.0104 140 LEU A CD2 1100 N N . ASP A 141 ? 1.0337 1.4440 1.0300 0.0193 0.1734 -0.0115 141 ASP A N 1101 C CA . ASP A 141 ? 1.0235 1.4130 1.0114 0.0354 0.1711 -0.0176 141 ASP A CA 1102 C C . ASP A 141 ? 0.9786 1.3307 0.9556 0.0316 0.1663 -0.0183 141 ASP A C 1103 O O . ASP A 141 ? 0.9667 1.2956 0.9377 0.0406 0.1624 -0.0224 141 ASP A O 1104 C CB . ASP A 141 ? 1.1122 1.5163 1.0919 0.0508 0.1766 -0.0215 141 ASP A CB 1105 C CG . ASP A 141 ? 1.2278 1.6732 1.2182 0.0541 0.1821 -0.0203 141 ASP A CG 1106 O OD1 . ASP A 141 ? 1.2459 1.7048 1.2495 0.0505 0.1805 -0.0185 141 ASP A OD1 1107 O OD2 . ASP A 141 ? 1.2120 1.6771 1.1975 0.0602 0.1880 -0.0212 141 ASP A OD2 1108 N N . SER A 142 ? 0.7353 1.0822 0.7094 0.0180 0.1665 -0.0141 142 SER A N 1109 C CA . SER A 142 ? 0.7675 1.0816 0.7319 0.0132 0.1619 -0.0141 142 SER A CA 1110 C C . SER A 142 ? 0.8066 1.1142 0.7760 -0.0042 0.1591 -0.0083 142 SER A C 1111 O O . SER A 142 ? 0.8303 1.1483 0.7985 -0.0144 0.1620 -0.0042 142 SER A O 1112 C CB . SER A 142 ? 0.7618 1.0699 0.7117 0.0174 0.1649 -0.0157 142 SER A CB 1113 O OG . SER A 142 ? 0.7935 1.1014 0.7359 0.0343 0.1667 -0.0215 142 SER A OG 1114 N N . SER A 143 ? 0.9046 1.1943 0.8787 -0.0075 0.1533 -0.0081 143 SER A N 1115 C CA . SER A 143 ? 0.8617 1.1417 0.8392 -0.0226 0.1500 -0.0032 143 SER A CA 1116 C C . SER A 143 ? 0.8409 1.0888 0.8128 -0.0226 0.1438 -0.0044 143 SER A C 1117 O O . SER A 143 ? 0.8826 1.1155 0.8454 -0.0135 0.1427 -0.0083 143 SER A O 1118 C CB . SER A 143 ? 0.7232 1.0195 0.7146 -0.0290 0.1495 -0.0007 143 SER A CB 1119 O OG . SER A 143 ? 0.7416 1.0345 0.7345 -0.0447 0.1480 0.0048 143 SER A OG 1120 N N . PHE A 144 ? 0.7229 0.9607 0.6999 -0.0328 0.1397 -0.0012 144 PHE A N 1121 C CA . PHE A 144 ? 0.6948 0.9046 0.6677 -0.0333 0.1337 -0.0019 144 PHE A CA 1122 C C . PHE A 144 ? 0.6952 0.9000 0.6770 -0.0416 0.1297 0.0008 144 PHE A C 1123 O O . PHE A 144 ? 0.7259 0.9471 0.7156 -0.0486 0.1314 0.0037 144 PHE A O 1124 C CB . PHE A 144 ? 0.6326 0.8271 0.5940 -0.0381 0.1331 -0.0001 144 PHE A CB 1125 C CG . PHE A 144 ? 0.6290 0.7975 0.5835 -0.0344 0.1279 -0.0024 144 PHE A CG 1126 C CD1 . PHE A 144 ? 0.6523 0.8135 0.6022 -0.0229 0.1271 -0.0075 144 PHE A CD1 1127 C CD2 . PHE A 144 ? 0.5620 0.7134 0.5136 -0.0424 0.1237 0.0007 144 PHE A CD2 1128 C CE1 . PHE A 144 ? 0.5577 0.6960 0.5008 -0.0208 0.1222 -0.0093 144 PHE A CE1 1129 C CE2 . PHE A 144 ? 0.5806 0.7107 0.5262 -0.0393 0.1190 -0.0012 144 PHE A CE2 1130 C CZ . PHE A 144 ? 0.5019 0.6259 0.4435 -0.0290 0.1183 -0.0061 144 PHE A CZ 1131 N N . TYR A 145 ? 0.7137 0.8962 0.6935 -0.0410 0.1243 -0.0001 145 TYR A N 1132 C CA . TYR A 145 ? 0.7199 0.8945 0.7065 -0.0480 0.1201 0.0022 145 TYR A CA 1133 C C . TYR A 145 ? 0.7105 0.8867 0.6965 -0.0610 0.1206 0.0075 145 TYR A C 1134 O O . TYR A 145 ? 0.7167 0.8839 0.6938 -0.0651 0.1207 0.0097 145 TYR A O 1135 C CB . TYR A 145 ? 0.6873 0.8376 0.6697 -0.0453 0.1146 0.0005 145 TYR A CB 1136 C CG . TYR A 145 ? 0.6780 0.8234 0.6588 -0.0337 0.1137 -0.0045 145 TYR A CG 1137 C CD1 . TYR A 145 ? 0.6655 0.8153 0.6545 -0.0288 0.1124 -0.0068 145 TYR A CD1 1138 C CD2 . TYR A 145 ? 0.6747 0.8099 0.6446 -0.0278 0.1138 -0.0071 145 TYR A CD2 1139 C CE1 . TYR A 145 ? 0.6606 0.8039 0.6465 -0.0184 0.1112 -0.0112 145 TYR A CE1 1140 C CE2 . TYR A 145 ? 0.6738 0.8023 0.6404 -0.0177 0.1126 -0.0117 145 TYR A CE2 1141 C CZ . TYR A 145 ? 0.6665 0.7986 0.6408 -0.0130 0.1113 -0.0137 145 TYR A CZ 1142 O OH . TYR A 145 ? 0.7135 0.8371 0.6830 -0.0031 0.1099 -0.0181 145 TYR A OH 1143 N N . ARG A 146 ? 0.7062 0.8929 0.7009 -0.0675 0.1205 0.0097 146 ARG A N 1144 C CA . ARG A 146 ? 0.7154 0.9034 0.7087 -0.0805 0.1208 0.0149 146 ARG A CA 1145 C C . ARG A 146 ? 0.7572 0.9204 0.7445 -0.0858 0.1159 0.0171 146 ARG A C 1146 O O . ARG A 146 ? 0.8008 0.9594 0.7828 -0.0957 0.1158 0.0214 146 ARG A O 1147 C CB . ARG A 146 ? 0.7321 0.9372 0.7359 -0.0862 0.1216 0.0164 146 ARG A CB 1148 C CG . ARG A 146 ? 0.7865 1.0183 0.7974 -0.0797 0.1262 0.0141 146 ARG A CG 1149 C CD . ARG A 146 ? 0.8750 1.1298 0.8879 -0.0894 0.1306 0.0179 146 ARG A CD 1150 N NE . ARG A 146 ? 0.9235 1.2053 0.9421 -0.0818 0.1354 0.0157 146 ARG A NE 1151 C CZ . ARG A 146 ? 0.8600 1.1515 0.8734 -0.0759 0.1398 0.0145 146 ARG A CZ 1152 N NH1 . ARG A 146 ? 0.8675 1.1439 0.8697 -0.0773 0.1401 0.0154 146 ARG A NH1 1153 N NH2 . ARG A 146 ? 0.8760 1.1927 0.8950 -0.0681 0.1440 0.0123 146 ARG A NH2 1154 N N . ASN A 147 ? 0.6987 0.8459 0.6860 -0.0791 0.1117 0.0143 147 ASN A N 1155 C CA . ASN A 147 ? 0.7077 0.8328 0.6897 -0.0825 0.1069 0.0161 147 ASN A CA 1156 C C . ASN A 147 ? 0.7156 0.8273 0.6874 -0.0787 0.1060 0.0155 147 ASN A C 1157 O O . ASN A 147 ? 0.7050 0.7996 0.6713 -0.0808 0.1022 0.0171 147 ASN A O 1158 C CB . ASN A 147 ? 0.6512 0.7679 0.6400 -0.0789 0.1025 0.0140 147 ASN A CB 1159 C CG . ASN A 147 ? 0.6696 0.7965 0.6674 -0.0840 0.1026 0.0151 147 ASN A CG 1160 O OD1 . ASN A 147 ? 0.6290 0.7631 0.6262 -0.0930 0.1044 0.0185 147 ASN A OD1 1161 N ND2 . ASN A 147 ? 0.5880 0.7155 0.5937 -0.0787 0.1004 0.0122 147 ASN A ND2 1162 N N . LEU A 148 ? 0.7157 0.8357 0.6846 -0.0726 0.1094 0.0130 148 LEU A N 1163 C CA . LEU A 148 ? 0.7401 0.8486 0.6987 -0.0691 0.1088 0.0122 148 LEU A CA 1164 C C . LEU A 148 ? 0.7887 0.9080 0.7408 -0.0713 0.1138 0.0137 148 LEU A C 1165 O O . LEU A 148 ? 0.7644 0.9024 0.7209 -0.0731 0.1181 0.0142 148 LEU A O 1166 C CB . LEU A 148 ? 0.6791 0.7828 0.6377 -0.0587 0.1073 0.0071 148 LEU A CB 1167 C CG . LEU A 148 ? 0.7256 0.8189 0.6899 -0.0562 0.1023 0.0055 148 LEU A CG 1168 C CD1 . LEU A 148 ? 0.6952 0.7854 0.6586 -0.0465 0.1015 0.0006 148 LEU A CD1 1169 C CD2 . LEU A 148 ? 0.7169 0.7930 0.6767 -0.0603 0.0977 0.0080 148 LEU A CD2 1170 N N . VAL A 149 ? 0.6674 0.7758 0.6088 -0.0712 0.1132 0.0144 149 VAL A N 1171 C CA . VAL A 149 ? 0.7652 0.8835 0.6998 -0.0721 0.1180 0.0152 149 VAL A CA 1172 C C . VAL A 149 ? 0.7258 0.8350 0.6509 -0.0648 0.1176 0.0121 149 VAL A C 1173 O O . VAL A 149 ? 0.7246 0.8170 0.6430 -0.0654 0.1136 0.0129 149 VAL A O 1174 C CB . VAL A 149 ? 0.7910 0.9077 0.7198 -0.0831 0.1188 0.0210 149 VAL A CB 1175 C CG1 . VAL A 149 ? 0.8080 0.9033 0.7321 -0.0869 0.1133 0.0235 149 VAL A CG1 1176 C CG2 . VAL A 149 ? 0.8412 0.9641 0.7606 -0.0834 0.1230 0.0218 149 VAL A CG2 1177 N N . TRP A 150 ? 0.7484 0.8693 0.6728 -0.0575 0.1215 0.0085 150 TRP A N 1178 C CA . TRP A 150 ? 0.7900 0.9032 0.7043 -0.0502 0.1216 0.0050 150 TRP A CA 1179 C C . TRP A 150 ? 0.8407 0.9537 0.7443 -0.0546 0.1240 0.0078 150 TRP A C 1180 O O . TRP A 150 ? 0.8894 1.0186 0.7919 -0.0554 0.1294 0.0086 150 TRP A O 1181 C CB . TRP A 150 ? 0.7544 0.8794 0.6705 -0.0401 0.1250 0.0001 150 TRP A CB 1182 C CG . TRP A 150 ? 0.7867 0.9014 0.6918 -0.0315 0.1246 -0.0043 150 TRP A CG 1183 C CD1 . TRP A 150 ? 0.8198 0.9193 0.7136 -0.0327 0.1222 -0.0041 150 TRP A CD1 1184 C CD2 . TRP A 150 ? 0.7366 0.8546 0.6399 -0.0204 0.1262 -0.0097 150 TRP A CD2 1185 N NE1 . TRP A 150 ? 0.7678 0.8607 0.6527 -0.0238 0.1223 -0.0091 150 TRP A NE1 1186 C CE2 . TRP A 150 ? 0.8083 0.9114 0.6982 -0.0159 0.1247 -0.0126 150 TRP A CE2 1187 C CE3 . TRP A 150 ? 0.7777 0.9094 0.6886 -0.0137 0.1287 -0.0123 150 TRP A CE3 1188 C CZ2 . TRP A 150 ? 0.8640 0.9636 0.7470 -0.0051 0.1255 -0.0181 150 TRP A CZ2 1189 C CZ3 . TRP A 150 ? 0.8944 1.0231 0.7987 -0.0021 0.1296 -0.0177 150 TRP A CZ3 1190 C CH2 . TRP A 150 ? 0.8953 1.0073 0.7852 0.0020 0.1280 -0.0206 150 TRP A CH2 1191 N N . LEU A 151 ? 0.9378 1.0336 0.8337 -0.0575 0.1200 0.0095 151 LEU A N 1192 C CA . LEU A 151 ? 0.9880 1.0810 0.8729 -0.0620 0.1215 0.0126 151 LEU A CA 1193 C C . LEU A 151 ? 1.0345 1.1260 0.9090 -0.0549 0.1234 0.0088 151 LEU A C 1194 O O . LEU A 151 ? 1.0677 1.1484 0.9392 -0.0484 0.1202 0.0048 151 LEU A O 1195 C CB . LEU A 151 ? 1.0025 1.0776 0.8830 -0.0674 0.1161 0.0161 151 LEU A CB 1196 C CG . LEU A 151 ? 0.9213 0.9943 0.8098 -0.0742 0.1137 0.0198 151 LEU A CG 1197 C CD1 . LEU A 151 ? 0.9214 0.9764 0.8042 -0.0776 0.1083 0.0229 151 LEU A CD1 1198 C CD2 . LEU A 151 ? 1.0386 1.1254 0.9284 -0.0817 0.1183 0.0235 151 LEU A CD2 1199 N N . VAL A 152 ? 0.9343 1.0366 0.8027 -0.0566 0.1284 0.0102 152 VAL A N 1200 C CA . VAL A 152 ? 1.0060 1.1074 0.8631 -0.0502 0.1306 0.0068 152 VAL A CA 1201 C C . VAL A 152 ? 0.9425 1.0410 0.7887 -0.0566 0.1317 0.0108 152 VAL A C 1202 O O . VAL A 152 ? 0.9233 1.0261 0.7712 -0.0655 0.1327 0.0161 152 VAL A O 1203 C CB . VAL A 152 ? 0.9296 1.0502 0.7892 -0.0431 0.1367 0.0032 152 VAL A CB 1204 C CG1 . VAL A 152 ? 1.0585 1.1767 0.9053 -0.0355 0.1389 -0.0007 152 VAL A CG1 1205 C CG2 . VAL A 152 ? 0.9628 1.0854 0.8327 -0.0366 0.1353 -0.0005 152 VAL A CG2 1206 N N . LYS A 153 ? 0.9191 1.0088 0.7532 -0.0522 0.1312 0.0084 153 LYS A N 1207 C CA . LYS A 153 ? 0.9942 1.0824 0.8166 -0.0569 0.1328 0.0115 153 LYS A CA 1208 C C . LYS A 153 ? 0.9675 1.0759 0.7903 -0.0608 0.1398 0.0142 153 LYS A C 1209 O O . LYS A 153 ? 0.8851 1.0104 0.7142 -0.0563 0.1443 0.0117 153 LYS A O 1210 C CB . LYS A 153 ? 0.9762 1.0551 0.7857 -0.0501 0.1322 0.0073 153 LYS A CB 1211 C CG . LYS A 153 ? 1.0316 1.1236 0.8377 -0.0418 0.1380 0.0026 153 LYS A CG 1212 C CD . LYS A 153 ? 1.0140 1.0931 0.8073 -0.0340 0.1363 -0.0027 153 LYS A CD 1213 C CE . LYS A 153 ? 1.0729 1.1368 0.8549 -0.0388 0.1323 -0.0003 153 LYS A CE 1214 N NZ . LYS A 153 ? 1.1031 1.1633 0.8695 -0.0336 0.1342 -0.0039 153 LYS A NZ 1215 N N . THR A 154 ? 1.2709 1.3780 1.0866 -0.0690 0.1405 0.0194 154 THR A N 1216 C CA . THR A 154 ? 1.4060 1.5317 1.2194 -0.0733 0.1472 0.0221 154 THR A CA 1217 C C . THR A 154 ? 1.4259 1.5550 1.2269 -0.0684 0.1508 0.0197 154 THR A C 1218 O O . THR A 154 ? 1.4292 1.5433 1.2212 -0.0631 0.1477 0.0166 154 THR A O 1219 C CB . THR A 154 ? 1.3309 1.4545 1.1415 -0.0861 0.1468 0.0296 154 THR A CB 1220 O OG1 . THR A 154 ? 1.3678 1.4716 1.1671 -0.0881 0.1423 0.0316 154 THR A OG1 1221 C CG2 . THR A 154 ? 1.2455 1.3690 1.0675 -0.0922 0.1444 0.0325 154 THR A CG2 1222 N N . ASP A 155 ? 1.8725 2.0223 1.6730 -0.0703 0.1576 0.0210 155 ASP A N 1223 C CA . ASP A 155 ? 1.9421 2.0979 1.7298 -0.0682 0.1620 0.0204 155 ASP A CA 1224 C C . ASP A 155 ? 1.8925 2.0323 1.6678 -0.0593 0.1596 0.0153 155 ASP A C 1225 O O . ASP A 155 ? 1.8937 2.0413 1.6651 -0.0500 0.1632 0.0102 155 ASP A O 1226 C CB . ASP A 155 ? 1.9441 2.1000 1.7253 -0.0806 0.1629 0.0277 155 ASP A CB 1227 C CG . ASP A 155 ? 1.9936 2.1248 1.7700 -0.0861 0.1557 0.0310 155 ASP A CG 1228 O OD1 . ASP A 155 ? 1.9668 2.0811 1.7394 -0.0797 0.1509 0.0274 155 ASP A OD1 1229 O OD2 . ASP A 155 ? 1.9651 2.0936 1.7410 -0.0967 0.1547 0.0373 155 ASP A OD2 1230 N N . SER A 156 ? 1.7774 1.8955 1.5460 -0.0619 0.1535 0.0166 156 SER A N 1231 C CA . SER A 156 ? 1.8469 1.9508 1.6016 -0.0564 0.1512 0.0131 156 SER A CA 1232 C C . SER A 156 ? 1.7877 1.8692 1.5394 -0.0594 0.1434 0.0146 156 SER A C 1233 O O . SER A 156 ? 1.7720 1.8398 1.5168 -0.0536 0.1395 0.0104 156 SER A O 1234 C CB . SER A 156 ? 1.9173 2.0273 1.6590 -0.0591 0.1556 0.0153 156 SER A CB 1235 O OG . SER A 156 ? 1.9044 2.0311 1.6432 -0.0517 0.1623 0.0112 156 SER A OG 1236 N N . ALA A 157 ? 1.7054 1.7838 1.4608 -0.0687 0.1411 0.0209 157 ALA A N 1237 C CA . ALA A 157 ? 1.6586 1.7182 1.4121 -0.0719 0.1339 0.0233 157 ALA A CA 1238 C C . ALA A 157 ? 1.6517 1.7014 1.4122 -0.0662 0.1287 0.0190 157 ALA A C 1239 O O . ALA A 157 ? 1.6467 1.7041 1.4179 -0.0626 0.1302 0.0162 157 ALA A O 1240 C CB . ALA A 157 ? 1.6036 1.6632 1.3621 -0.0818 0.1331 0.0304 157 ALA A CB 1241 N N . THR A 158 ? 1.5481 1.5815 1.3024 -0.0655 0.1226 0.0187 158 THR A N 1242 C CA . THR A 158 ? 1.5024 1.5267 1.2636 -0.0617 0.1172 0.0155 158 THR A CA 1243 C C . THR A 158 ? 1.4650 1.4913 1.2401 -0.0658 0.1157 0.0188 158 THR A C 1244 O O . THR A 158 ? 1.4143 1.4405 1.1896 -0.0726 0.1157 0.0244 158 THR A O 1245 C CB . THR A 158 ? 1.4890 1.4976 1.2419 -0.0618 0.1107 0.0156 158 THR A CB 1246 O OG1 . THR A 158 ? 1.4425 1.4458 1.1936 -0.0684 0.1079 0.0219 158 THR A OG1 1247 C CG2 . THR A 158 ? 1.3974 1.4031 1.1355 -0.0584 0.1119 0.0124 158 THR A CG2 1248 N N . TYR A 159 ? 1.4580 1.4855 1.2435 -0.0615 0.1146 0.0152 159 TYR A N 1249 C CA . TYR A 159 ? 1.3271 1.3551 1.1254 -0.0646 0.1125 0.0175 159 TYR A CA 1250 C C . TYR A 159 ? 1.3223 1.3360 1.1184 -0.0680 0.1059 0.0210 159 TYR A C 1251 O O . TYR A 159 ? 1.2758 1.2800 1.0689 -0.0646 0.1012 0.0185 159 TYR A O 1252 C CB . TYR A 159 ? 1.2909 1.3213 1.0990 -0.0585 0.1119 0.0125 159 TYR A CB 1253 C CG . TYR A 159 ? 1.2758 1.3072 1.0974 -0.0607 0.1099 0.0140 159 TYR A CG 1254 C CD1 . TYR A 159 ? 1.3034 1.3486 1.1347 -0.0618 0.1141 0.0145 159 TYR A CD1 1255 C CD2 . TYR A 159 ? 1.2840 1.3035 1.1084 -0.0620 0.1036 0.0153 159 TYR A CD2 1256 C CE1 . TYR A 159 ? 1.2898 1.3354 1.1330 -0.0640 0.1120 0.0158 159 TYR A CE1 1257 C CE2 . TYR A 159 ? 1.2648 1.2847 1.1008 -0.0637 0.1017 0.0166 159 TYR A CE2 1258 C CZ . TYR A 159 ? 1.2314 1.2637 1.0766 -0.0649 0.1059 0.0168 159 TYR A CZ 1259 O OH . TYR A 159 ? 1.2752 1.3077 1.1313 -0.0668 0.1039 0.0179 159 TYR A OH 1260 N N . PRO A 160 ? 1.0787 1.0910 0.8752 -0.0746 0.1055 0.0268 160 PRO A N 1261 C CA . PRO A 160 ? 1.0149 1.0140 0.8074 -0.0772 0.0996 0.0306 160 PRO A CA 1262 C C . PRO A 160 ? 1.0700 1.0637 0.8730 -0.0760 0.0948 0.0304 160 PRO A C 1263 O O . PRO A 160 ? 1.0717 1.0714 0.8852 -0.0736 0.0959 0.0272 160 PRO A O 1264 C CB . PRO A 160 ? 1.0117 1.0114 0.7994 -0.0844 0.1018 0.0367 160 PRO A CB 1265 C CG . PRO A 160 ? 1.0151 1.0282 0.8116 -0.0868 0.1072 0.0364 160 PRO A CG 1266 C CD . PRO A 160 ? 1.0450 1.0681 0.8446 -0.0801 0.1106 0.0301 160 PRO A CD 1267 N N . VAL A 161 ? 1.1047 1.0877 0.9045 -0.0774 0.0896 0.0338 161 VAL A N 1268 C CA . VAL A 161 ? 1.0440 1.0222 0.8529 -0.0768 0.0853 0.0345 161 VAL A CA 1269 C C . VAL A 161 ? 1.0860 1.0662 0.8999 -0.0818 0.0875 0.0381 161 VAL A C 1270 O O . VAL A 161 ? 1.0586 1.0352 0.8648 -0.0869 0.0885 0.0429 161 VAL A O 1271 C CB . VAL A 161 ? 1.0209 0.9881 0.8242 -0.0758 0.0789 0.0371 161 VAL A CB 1272 C CG1 . VAL A 161 ? 1.0426 1.0056 0.8549 -0.0750 0.0750 0.0382 161 VAL A CG1 1273 C CG2 . VAL A 161 ? 0.9719 0.9378 0.7708 -0.0717 0.0761 0.0335 161 VAL A CG2 1274 N N . ILE A 162 ? 0.9948 0.9801 0.8208 -0.0809 0.0881 0.0360 162 ILE A N 1275 C CA . ILE A 162 ? 0.9721 0.9584 0.8030 -0.0861 0.0895 0.0391 162 ILE A CA 1276 C C . ILE A 162 ? 0.9578 0.9356 0.7948 -0.0846 0.0843 0.0399 162 ILE A C 1277 O O . ILE A 162 ? 0.9855 0.9611 0.8266 -0.0794 0.0807 0.0369 162 ILE A O 1278 C CB . ILE A 162 ? 0.9350 0.9356 0.7750 -0.0869 0.0948 0.0366 162 ILE A CB 1279 C CG1 . ILE A 162 ? 0.9544 0.9583 0.8053 -0.0808 0.0933 0.0315 162 ILE A CG1 1280 C CG2 . ILE A 162 ? 0.9493 0.9599 0.7835 -0.0870 0.1001 0.0354 162 ILE A CG2 1281 C CD1 . ILE A 162 ? 0.9003 0.9189 0.7598 -0.0800 0.0982 0.0285 162 ILE A CD1 1282 N N . LYS A 163 ? 1.0013 0.9739 0.8379 -0.0895 0.0839 0.0439 163 LYS A N 1283 C CA . LYS A 163 ? 0.9742 0.9379 0.8150 -0.0879 0.0792 0.0448 163 LYS A CA 1284 C C . LYS A 163 ? 1.0437 1.0085 0.8900 -0.0930 0.0808 0.0464 163 LYS A C 1285 O O . LYS A 163 ? 1.0621 1.0306 0.9048 -0.0996 0.0847 0.0489 163 LYS A O 1286 C CB . LYS A 163 ? 1.0150 0.9647 0.8448 -0.0872 0.0746 0.0488 163 LYS A CB 1287 C CG . LYS A 163 ? 1.0891 1.0375 0.9151 -0.0816 0.0714 0.0471 163 LYS A CG 1288 C CD . LYS A 163 ? 1.0776 1.0135 0.8923 -0.0807 0.0671 0.0515 163 LYS A CD 1289 C CE . LYS A 163 ? 1.1509 1.0873 0.9626 -0.0754 0.0635 0.0498 163 LYS A CE 1290 N NZ . LYS A 163 ? 1.1271 1.0527 0.9272 -0.0740 0.0593 0.0543 163 LYS A NZ 1291 N N . GLY A 164 ? 0.9572 0.9195 0.8120 -0.0904 0.0779 0.0450 164 GLY A N 1292 C CA . GLY A 164 ? 0.8435 0.8054 0.7033 -0.0950 0.0786 0.0463 164 GLY A CA 1293 C C . GLY A 164 ? 0.8828 0.8332 0.7440 -0.0918 0.0734 0.0469 164 GLY A C 1294 O O . GLY A 164 ? 0.9026 0.8510 0.7662 -0.0852 0.0698 0.0448 164 GLY A O 1295 N N . THR A 165 ? 0.8818 0.8245 0.7407 -0.0967 0.0728 0.0498 165 THR A N 1296 C CA . THR A 165 ? 0.8725 0.8034 0.7316 -0.0934 0.0680 0.0504 165 THR A CA 1297 C C . THR A 165 ? 0.9220 0.8518 0.7853 -0.0987 0.0688 0.0510 165 THR A C 1298 O O . THR A 165 ? 0.8808 0.8131 0.7412 -0.1069 0.0721 0.0531 165 THR A O 1299 C CB . THR A 165 ? 0.9408 0.8548 0.7851 -0.0923 0.0643 0.0547 165 THR A CB 1300 O OG1 . THR A 165 ? 1.0864 1.0028 0.9277 -0.0872 0.0631 0.0540 165 THR A OG1 1301 C CG2 . THR A 165 ? 0.9504 0.8522 0.7939 -0.0879 0.0594 0.0553 165 THR A CG2 1302 N N . TYR A 166 ? 0.8614 0.7886 0.7318 -0.0944 0.0658 0.0489 166 TYR A N 1303 C CA . TYR A 166 ? 0.8163 0.7405 0.6899 -0.0988 0.0657 0.0493 166 TYR A CA 1304 C C . TYR A 166 ? 0.8502 0.7626 0.7234 -0.0927 0.0606 0.0490 166 TYR A C 1305 O O . TYR A 166 ? 0.8925 0.8109 0.7748 -0.0858 0.0590 0.0456 166 TYR A O 1306 C CB . TYR A 166 ? 0.7756 0.7172 0.6635 -0.1002 0.0691 0.0456 166 TYR A CB 1307 C CG . TYR A 166 ? 0.8365 0.7769 0.7276 -0.1061 0.0694 0.0462 166 TYR A CG 1308 C CD1 . TYR A 166 ? 0.8300 0.7649 0.7261 -0.1023 0.0661 0.0446 166 TYR A CD1 1309 C CD2 . TYR A 166 ? 0.7224 0.6677 0.6112 -0.1157 0.0729 0.0485 166 TYR A CD2 1310 C CE1 . TYR A 166 ? 0.7775 0.7105 0.6757 -0.1078 0.0660 0.0450 166 TYR A CE1 1311 C CE2 . TYR A 166 ? 0.7432 0.6876 0.6345 -0.1219 0.0728 0.0491 166 TYR A CE2 1312 C CZ . TYR A 166 ? 0.7910 0.7285 0.6867 -0.1178 0.0693 0.0472 166 TYR A CZ 1313 O OH . TYR A 166 ? 0.8809 0.8168 0.7784 -0.1239 0.0690 0.0477 166 TYR A OH 1314 N N . ASN A 167 ? 0.9337 0.8288 0.7954 -0.0952 0.0582 0.0524 167 ASN A N 1315 C CA . ASN A 167 ? 0.9660 0.8501 0.8269 -0.0895 0.0539 0.0520 167 ASN A CA 1316 C C . ASN A 167 ? 1.0211 0.9066 0.8885 -0.0944 0.0547 0.0507 167 ASN A C 1317 O O . ASN A 167 ? 1.0912 0.9692 0.9512 -0.1028 0.0558 0.0533 167 ASN A O 1318 C CB . ASN A 167 ? 0.9787 0.8416 0.8223 -0.0874 0.0501 0.0561 167 ASN A CB 1319 C CG . ASN A 167 ? 1.1016 0.9514 0.9425 -0.0820 0.0459 0.0558 167 ASN A CG 1320 O OD1 . ASN A 167 ? 1.1367 0.9922 0.9879 -0.0818 0.0460 0.0529 167 ASN A OD1 1321 N ND2 . ASN A 167 ? 1.0578 0.8907 0.8850 -0.0766 0.0420 0.0585 167 ASN A ND2 1322 N N . ASN A 168 ? 0.9177 0.8128 0.7984 -0.0894 0.0541 0.0468 168 ASN A N 1323 C CA . ASN A 168 ? 0.9110 0.8068 0.7980 -0.0924 0.0540 0.0453 168 ASN A CA 1324 C C . ASN A 168 ? 0.9244 0.7996 0.7997 -0.0918 0.0503 0.0474 168 ASN A C 1325 O O . ASN A 168 ? 0.9089 0.7780 0.7837 -0.0834 0.0467 0.0464 168 ASN A O 1326 C CB . ASN A 168 ? 0.8351 0.7442 0.7376 -0.0861 0.0537 0.0407 168 ASN A CB 1327 C CG . ASN A 168 ? 0.8764 0.7885 0.7864 -0.0895 0.0540 0.0390 168 ASN A CG 1328 O OD1 . ASN A 168 ? 0.9155 0.8186 0.8188 -0.0963 0.0540 0.0411 168 ASN A OD1 1329 N ND2 . ASN A 168 ? 0.7833 0.7073 0.7065 -0.0849 0.0540 0.0352 168 ASN A ND2 1330 N N . THR A 169 ? 0.9804 0.8452 0.8459 -0.1009 0.0510 0.0504 169 THR A N 1331 C CA . THR A 169 ? 1.0502 0.8922 0.9015 -0.1012 0.0473 0.0527 169 THR A CA 1332 C C . THR A 169 ? 1.0390 0.8798 0.8954 -0.1040 0.0466 0.0507 169 THR A C 1333 O O . THR A 169 ? 1.0721 0.8945 0.9182 -0.1025 0.0433 0.0515 169 THR A O 1334 C CB . THR A 169 ? 1.0961 0.9234 0.9303 -0.1102 0.0479 0.0575 169 THR A CB 1335 O OG1 . THR A 169 ? 1.0987 0.9376 0.9377 -0.1219 0.0519 0.0580 169 THR A OG1 1336 C CG2 . THR A 169 ? 1.0241 0.8504 0.8515 -0.1067 0.0480 0.0597 169 THR A CG2 1337 N N . GLY A 170 ? 0.9652 0.8256 0.8368 -0.1077 0.0497 0.0481 170 GLY A N 1338 C CA . GLY A 170 ? 0.9373 0.7998 0.8155 -0.1108 0.0494 0.0460 170 GLY A CA 1339 C C . GLY A 170 ? 0.9114 0.7738 0.7967 -0.1007 0.0465 0.0427 170 GLY A C 1340 O O . GLY A 170 ? 0.8958 0.7559 0.7805 -0.0911 0.0445 0.0421 170 GLY A O 1341 N N . THR A 171 ? 0.9901 0.8562 0.8825 -0.1033 0.0463 0.0405 171 THR A N 1342 C CA . THR A 171 ? 1.0291 0.8949 0.9278 -0.0950 0.0437 0.0374 171 THR A CA 1343 C C . THR A 171 ? 0.9887 0.8770 0.9064 -0.0916 0.0457 0.0336 171 THR A C 1344 O O . THR A 171 ? 0.9737 0.8647 0.8983 -0.0848 0.0438 0.0310 171 THR A O 1345 C CB . THR A 171 ? 1.1032 0.9557 0.9956 -0.0995 0.0417 0.0374 171 THR A CB 1346 O OG1 . THR A 171 ? 1.0855 0.9462 0.9814 -0.1112 0.0444 0.0380 171 THR A OG1 1347 C CG2 . THR A 171 ? 1.0441 0.8701 0.9158 -0.0994 0.0385 0.0405 171 THR A CG2 1348 N N . GLN A 172 ? 0.8787 0.7829 0.8041 -0.0963 0.0494 0.0335 172 GLN A N 1349 C CA . GLN A 172 ? 0.8057 0.7299 0.7474 -0.0939 0.0515 0.0301 172 GLN A CA 1350 C C . GLN A 172 ? 0.7556 0.6899 0.7015 -0.0889 0.0530 0.0294 172 GLN A C 1351 O O . GLN A 172 ? 0.8081 0.7405 0.7470 -0.0915 0.0545 0.0317 172 GLN A O 1352 C CB . GLN A 172 ? 0.8432 0.7791 0.7910 -0.1028 0.0545 0.0300 172 GLN A CB 1353 C CG . GLN A 172 ? 0.9981 0.9250 0.9420 -0.1087 0.0528 0.0306 172 GLN A CG 1354 C CD . GLN A 172 ? 1.2146 1.1453 1.1551 -0.1209 0.0553 0.0331 172 GLN A CD 1355 O OE1 . GLN A 172 ? 1.2323 1.1783 1.1826 -0.1251 0.0573 0.0318 172 GLN A OE1 1356 N NE2 . GLN A 172 ? 1.2248 1.1421 1.1509 -0.1266 0.0552 0.0368 172 GLN A NE2 1357 N N . PRO A 173 ? 0.6732 0.6174 0.6296 -0.0820 0.0525 0.0262 173 PRO A N 1358 C CA . PRO A 173 ? 0.6160 0.5697 0.5761 -0.0781 0.0540 0.0251 173 PRO A CA 1359 C C . PRO A 173 ? 0.6053 0.5713 0.5690 -0.0834 0.0583 0.0251 173 PRO A C 1360 O O . PRO A 173 ? 0.5889 0.5613 0.5570 -0.0887 0.0601 0.0249 173 PRO A O 1361 C CB . PRO A 173 ? 0.5378 0.4994 0.5085 -0.0717 0.0525 0.0217 173 PRO A CB 1362 C CG . PRO A 173 ? 0.4579 0.4197 0.4335 -0.0738 0.0519 0.0206 173 PRO A CG 1363 C CD . PRO A 173 ? 0.4491 0.3962 0.4139 -0.0783 0.0507 0.0235 173 PRO A CD 1364 N N . ILE A 174 ? 0.6117 0.5815 0.5731 -0.0816 0.0598 0.0253 174 ILE A N 1365 C CA . ILE A 174 ? 0.6041 0.5859 0.5678 -0.0855 0.0641 0.0252 174 ILE A CA 1366 C C . ILE A 174 ? 0.5910 0.5843 0.5623 -0.0797 0.0653 0.0218 174 ILE A C 1367 O O . ILE A 174 ? 0.5860 0.5761 0.5543 -0.0749 0.0639 0.0212 174 ILE A O 1368 C CB . ILE A 174 ? 0.6940 0.6697 0.6462 -0.0894 0.0654 0.0286 174 ILE A CB 1369 C CG1 . ILE A 174 ? 0.6713 0.6364 0.6151 -0.0971 0.0649 0.0322 174 ILE A CG1 1370 C CG2 . ILE A 174 ? 0.5422 0.5315 0.4965 -0.0911 0.0698 0.0280 174 ILE A CG2 1371 C CD1 . ILE A 174 ? 0.7158 0.6700 0.6460 -0.1002 0.0649 0.0360 174 ILE A CD1 1372 N N . LEU A 175 ? 0.5312 0.5374 0.5113 -0.0803 0.0679 0.0196 175 LEU A N 1373 C CA . LEU A 175 ? 0.5747 0.5908 0.5604 -0.0751 0.0694 0.0164 175 LEU A CA 1374 C C . LEU A 175 ? 0.6226 0.6457 0.6043 -0.0766 0.0733 0.0169 175 LEU A C 1375 O O . LEU A 175 ? 0.6221 0.6534 0.6045 -0.0817 0.0765 0.0182 175 LEU A O 1376 C CB . LEU A 175 ? 0.5414 0.5679 0.5377 -0.0738 0.0702 0.0137 175 LEU A CB 1377 C CG . LEU A 175 ? 0.5451 0.5810 0.5463 -0.0681 0.0718 0.0103 175 LEU A CG 1378 C CD1 . LEU A 175 ? 0.4538 0.4821 0.4531 -0.0624 0.0686 0.0086 175 LEU A CD1 1379 C CD2 . LEU A 175 ? 0.5045 0.5508 0.5155 -0.0672 0.0726 0.0082 175 LEU A CD2 1380 N N . TYR A 176 ? 0.5995 0.6200 0.5765 -0.0724 0.0730 0.0160 176 TYR A N 1381 C CA . TYR A 176 ? 0.5659 0.5924 0.5381 -0.0735 0.0767 0.0164 176 TYR A CA 1382 C C . TYR A 176 ? 0.5885 0.6185 0.5607 -0.0671 0.0773 0.0130 176 TYR A C 1383 O O . TYR A 176 ? 0.5999 0.6253 0.5740 -0.0625 0.0743 0.0108 176 TYR A O 1384 C CB . TYR A 176 ? 0.5783 0.5951 0.5397 -0.0771 0.0761 0.0201 176 TYR A CB 1385 C CG . TYR A 176 ? 0.5761 0.5817 0.5319 -0.0730 0.0723 0.0201 176 TYR A CG 1386 C CD1 . TYR A 176 ? 0.5896 0.5853 0.5450 -0.0721 0.0681 0.0212 176 TYR A CD1 1387 C CD2 . TYR A 176 ? 0.6125 0.6182 0.5630 -0.0699 0.0728 0.0191 176 TYR A CD2 1388 C CE1 . TYR A 176 ? 0.6145 0.6024 0.5654 -0.0680 0.0646 0.0215 176 TYR A CE1 1389 C CE2 . TYR A 176 ? 0.6220 0.6190 0.5676 -0.0667 0.0690 0.0194 176 TYR A CE2 1390 C CZ . TYR A 176 ? 0.6783 0.6674 0.6245 -0.0657 0.0650 0.0206 176 TYR A CZ 1391 O OH . TYR A 176 ? 0.7128 0.6957 0.6546 -0.0623 0.0612 0.0210 176 TYR A OH 1392 N N . PHE A 177 ? 0.6919 0.7299 0.6613 -0.0670 0.0813 0.0125 177 PHE A N 1393 C CA . PHE A 177 ? 0.6891 0.7307 0.6575 -0.0608 0.0825 0.0089 177 PHE A CA 1394 C C . PHE A 177 ? 0.7454 0.7856 0.7039 -0.0610 0.0844 0.0096 177 PHE A C 1395 O O . PHE A 177 ? 0.7487 0.7907 0.7030 -0.0661 0.0866 0.0127 177 PHE A O 1396 C CB . PHE A 177 ? 0.6637 0.7191 0.6394 -0.0584 0.0859 0.0064 177 PHE A CB 1397 C CG . PHE A 177 ? 0.6960 0.7538 0.6814 -0.0583 0.0841 0.0057 177 PHE A CG 1398 C CD1 . PHE A 177 ? 0.6086 0.6699 0.5982 -0.0645 0.0844 0.0084 177 PHE A CD1 1399 C CD2 . PHE A 177 ? 0.6727 0.7283 0.6618 -0.0524 0.0819 0.0024 177 PHE A CD2 1400 C CE1 . PHE A 177 ? 0.6831 0.7462 0.6811 -0.0645 0.0826 0.0076 177 PHE A CE1 1401 C CE2 . PHE A 177 ? 0.6667 0.7244 0.6644 -0.0524 0.0802 0.0018 177 PHE A CE2 1402 C CZ . PHE A 177 ? 0.6416 0.7034 0.6440 -0.0582 0.0806 0.0043 177 PHE A CZ 1403 N N . TRP A 178 ? 0.6210 0.6573 0.5750 -0.0557 0.0835 0.0068 178 TRP A N 1404 C CA . TRP A 178 ? 0.7036 0.7395 0.6481 -0.0551 0.0857 0.0067 178 TRP A CA 1405 C C . TRP A 178 ? 0.7090 0.7441 0.6505 -0.0484 0.0858 0.0022 178 TRP A C 1406 O O . TRP A 178 ? 0.6605 0.6958 0.6074 -0.0446 0.0844 -0.0005 178 TRP A O 1407 C CB . TRP A 178 ? 0.6860 0.7108 0.6223 -0.0580 0.0827 0.0097 178 TRP A CB 1408 C CG . TRP A 178 ? 0.7027 0.7175 0.6370 -0.0551 0.0777 0.0084 178 TRP A CG 1409 C CD1 . TRP A 178 ? 0.7493 0.7591 0.6760 -0.0523 0.0764 0.0065 178 TRP A CD1 1410 C CD2 . TRP A 178 ? 0.6582 0.6677 0.5978 -0.0551 0.0734 0.0090 178 TRP A CD2 1411 N NE1 . TRP A 178 ? 0.6980 0.7007 0.6253 -0.0512 0.0714 0.0061 178 TRP A NE1 1412 C CE2 . TRP A 178 ? 0.7434 0.7462 0.6788 -0.0525 0.0696 0.0076 178 TRP A CE2 1413 C CE3 . TRP A 178 ? 0.6716 0.6816 0.6187 -0.0572 0.0723 0.0105 178 TRP A CE3 1414 C CZ2 . TRP A 178 ? 0.7052 0.7035 0.6443 -0.0518 0.0651 0.0079 178 TRP A CZ2 1415 C CZ3 . TRP A 178 ? 0.6880 0.6923 0.6383 -0.0559 0.0679 0.0105 178 TRP A CZ3 1416 C CH2 . TRP A 178 ? 0.6664 0.6657 0.6130 -0.0532 0.0644 0.0093 178 TRP A CH2 1417 N N . GLY A 179 ? 0.6733 0.7066 0.6052 -0.0470 0.0873 0.0015 179 GLY A N 1418 C CA . GLY A 179 ? 0.6888 0.7199 0.6156 -0.0407 0.0876 -0.0028 179 GLY A CA 1419 C C . GLY A 179 ? 0.7316 0.7556 0.6459 -0.0401 0.0873 -0.0033 179 GLY A C 1420 O O . GLY A 179 ? 0.7150 0.7378 0.6244 -0.0443 0.0877 -0.0001 179 GLY A O 1421 N N . VAL A 180 ? 0.7099 0.7280 0.6181 -0.0349 0.0863 -0.0074 180 VAL A N 1422 C CA . VAL A 180 ? 0.7989 0.8100 0.6942 -0.0338 0.0860 -0.0086 180 VAL A CA 1423 C C . VAL A 180 ? 0.8206 0.8335 0.7101 -0.0269 0.0892 -0.0131 180 VAL A C 1424 O O . VAL A 180 ? 0.8242 0.8339 0.7154 -0.0224 0.0880 -0.0164 180 VAL A O 1425 C CB . VAL A 180 ? 0.7983 0.7966 0.6888 -0.0352 0.0800 -0.0089 180 VAL A CB 1426 C CG1 . VAL A 180 ? 0.7944 0.7855 0.6709 -0.0345 0.0795 -0.0103 180 VAL A CG1 1427 C CG2 . VAL A 180 ? 0.7371 0.7343 0.6333 -0.0406 0.0767 -0.0046 180 VAL A CG2 1428 N N . HIS A 181 ? 0.7793 0.7970 0.6615 -0.0257 0.0933 -0.0134 181 HIS A N 1429 C CA . HIS A 181 ? 0.8528 0.8730 0.7287 -0.0180 0.0969 -0.0178 181 HIS A CA 1430 C C . HIS A 181 ? 0.7997 0.8045 0.6616 -0.0147 0.0939 -0.0215 181 HIS A C 1431 O O . HIS A 181 ? 0.8577 0.8544 0.7119 -0.0187 0.0913 -0.0202 181 HIS A O 1432 C CB . HIS A 181 ? 0.8755 0.9090 0.7491 -0.0177 0.1030 -0.0166 181 HIS A CB 1433 C CG . HIS A 181 ? 0.8910 0.9313 0.7607 -0.0088 0.1074 -0.0209 181 HIS A CG 1434 N ND1 . HIS A 181 ? 0.9191 0.9586 0.7761 -0.0047 0.1103 -0.0232 181 HIS A ND1 1435 C CD2 . HIS A 181 ? 0.8315 0.8798 0.7078 -0.0026 0.1093 -0.0233 181 HIS A CD2 1436 C CE1 . HIS A 181 ? 0.9308 0.9772 0.7864 0.0042 0.1139 -0.0270 181 HIS A CE1 1437 N NE2 . HIS A 181 ? 0.8804 0.9324 0.7477 0.0057 0.1133 -0.0271 181 HIS A NE2 1438 N N . HIS A 182 ? 0.7797 0.7798 0.6378 -0.0075 0.0940 -0.0260 182 HIS A N 1439 C CA . HIS A 182 ? 0.8303 0.8145 0.6731 -0.0039 0.0914 -0.0301 182 HIS A CA 1440 C C . HIS A 182 ? 0.9176 0.9040 0.7512 0.0053 0.0961 -0.0343 182 HIS A C 1441 O O . HIS A 182 ? 0.9212 0.9073 0.7558 0.0123 0.0968 -0.0374 182 HIS A O 1442 C CB . HIS A 182 ? 0.8943 0.8661 0.7376 -0.0037 0.0860 -0.0319 182 HIS A CB 1443 C CG . HIS A 182 ? 0.8782 0.8494 0.7314 -0.0115 0.0816 -0.0280 182 HIS A CG 1444 N ND1 . HIS A 182 ? 0.8876 0.8521 0.7360 -0.0178 0.0778 -0.0258 182 HIS A ND1 1445 C CD2 . HIS A 182 ? 0.8566 0.8334 0.7235 -0.0135 0.0803 -0.0260 182 HIS A CD2 1446 C CE1 . HIS A 182 ? 0.9185 0.8850 0.7775 -0.0228 0.0745 -0.0227 182 HIS A CE1 1447 N NE2 . HIS A 182 ? 0.8855 0.8589 0.7556 -0.0205 0.0760 -0.0228 182 HIS A NE2 1448 N N . PRO A 183 ? 0.9330 0.9216 0.7570 0.0059 0.0992 -0.0345 183 PRO A N 1449 C CA . PRO A 183 ? 0.9427 0.9345 0.7570 0.0152 0.1041 -0.0385 183 PRO A CA 1450 C C . PRO A 183 ? 0.9572 0.9299 0.7562 0.0222 0.1013 -0.0441 183 PRO A C 1451 O O . PRO A 183 ? 0.9343 0.8903 0.7272 0.0178 0.0955 -0.0445 183 PRO A O 1452 C CB . PRO A 183 ? 0.9653 0.9610 0.7720 0.0120 0.1068 -0.0368 183 PRO A CB 1453 C CG . PRO A 183 ? 0.9618 0.9615 0.7782 0.0015 0.1046 -0.0310 183 PRO A CG 1454 C CD . PRO A 183 ? 0.9393 0.9282 0.7612 -0.0019 0.0984 -0.0307 183 PRO A CD 1455 N N . LEU A 184 ? 1.0388 1.0140 0.8308 0.0328 0.1053 -0.0482 184 LEU A N 1456 C CA . LEU A 184 ? 1.0460 1.0017 0.8219 0.0405 0.1029 -0.0538 184 LEU A CA 1457 C C . LEU A 184 ? 1.1040 1.0431 0.8600 0.0396 0.1011 -0.0561 184 LEU A C 1458 O O . LEU A 184 ? 1.1064 1.0239 0.8486 0.0405 0.0964 -0.0594 184 LEU A O 1459 C CB . LEU A 184 ? 1.0792 1.0433 0.8538 0.0534 0.1078 -0.0574 184 LEU A CB 1460 C CG . LEU A 184 ? 1.1411 1.1193 0.9102 0.0609 0.1147 -0.0590 184 LEU A CG 1461 C CD1 . LEU A 184 ? 1.1691 1.1281 0.9147 0.0687 0.1143 -0.0645 184 LEU A CD1 1462 C CD2 . LEU A 184 ? 1.1359 1.1349 0.9162 0.0695 0.1199 -0.0594 184 LEU A CD2 1463 N N . ASP A 185 ? 1.1247 1.0732 0.8783 0.0375 0.1047 -0.0545 185 ASP A N 1464 C CA . ASP A 185 ? 1.2350 1.1686 0.9702 0.0357 0.1028 -0.0563 185 ASP A CA 1465 C C . ASP A 185 ? 1.2422 1.1861 0.9814 0.0270 0.1040 -0.0516 185 ASP A C 1466 O O . ASP A 185 ? 1.2113 1.1718 0.9671 0.0219 0.1058 -0.0468 185 ASP A O 1467 C CB . ASP A 185 ? 1.1906 1.1184 0.9080 0.0475 0.1066 -0.0620 185 ASP A CB 1468 C CG . ASP A 185 ? 1.2838 1.2353 1.0078 0.0543 0.1146 -0.0616 185 ASP A CG 1469 O OD1 . ASP A 185 ? 1.2388 1.2077 0.9736 0.0477 0.1175 -0.0569 185 ASP A OD1 1470 O OD2 . ASP A 185 ? 1.2993 1.2518 1.0167 0.0664 0.1180 -0.0660 185 ASP A OD2 1471 N N . THR A 186 ? 1.0947 1.0277 0.8177 0.0255 0.1029 -0.0530 186 THR A N 1472 C CA . THR A 186 ? 1.0991 1.0374 0.8236 0.0166 0.1025 -0.0485 186 THR A CA 1473 C C . THR A 186 ? 1.0678 1.0238 0.7933 0.0187 0.1095 -0.0468 186 THR A C 1474 O O . THR A 186 ? 0.9795 0.9425 0.7086 0.0112 0.1099 -0.0423 186 THR A O 1475 C CB . THR A 186 ? 1.1493 1.0682 0.8559 0.0129 0.0975 -0.0503 186 THR A CB 1476 O OG1 . THR A 186 ? 1.2542 1.1609 0.9420 0.0218 0.0990 -0.0564 186 THR A OG1 1477 C CG2 . THR A 186 ? 1.0756 0.9812 0.7845 0.0064 0.0899 -0.0496 186 THR A CG2 1478 N N . THR A 187 ? 1.1367 1.1003 0.8588 0.0289 0.1151 -0.0504 187 THR A N 1479 C CA . THR A 187 ? 1.1643 1.1477 0.8885 0.0308 0.1222 -0.0488 187 THR A CA 1480 C C . THR A 187 ? 1.1541 1.1593 0.8994 0.0275 0.1254 -0.0441 187 THR A C 1481 O O . THR A 187 ? 1.1347 1.1539 0.8863 0.0211 0.1283 -0.0394 187 THR A O 1482 C CB . THR A 187 ? 1.1886 1.1736 0.8996 0.0437 0.1274 -0.0545 187 THR A CB 1483 O OG1 . THR A 187 ? 1.2488 1.2281 0.9606 0.0525 0.1266 -0.0586 187 THR A OG1 1484 C CG2 . THR A 187 ? 1.1813 1.1479 0.8699 0.0454 0.1257 -0.0581 187 THR A CG2 1485 N N . VAL A 188 ? 1.1019 1.1090 0.8572 0.0314 0.1246 -0.0454 188 VAL A N 1486 C CA . VAL A 188 ? 1.0608 1.0865 0.8361 0.0274 0.1265 -0.0411 188 VAL A CA 1487 C C . VAL A 188 ? 1.0025 1.0265 0.7863 0.0148 0.1226 -0.0352 188 VAL A C 1488 O O . VAL A 188 ? 0.9910 1.0307 0.7857 0.0088 0.1254 -0.0305 188 VAL A O 1489 C CB . VAL A 188 ? 1.0579 1.0823 0.8415 0.0330 0.1248 -0.0435 188 VAL A CB 1490 C CG1 . VAL A 188 ? 0.9806 1.0207 0.7846 0.0266 0.1252 -0.0386 188 VAL A CG1 1491 C CG2 . VAL A 188 ? 1.0583 1.0887 0.8355 0.0465 0.1294 -0.0486 188 VAL A CG2 1492 N N . GLN A 189 ? 0.9926 0.9973 0.7704 0.0108 0.1162 -0.0356 189 GLN A N 1493 C CA . GLN A 189 ? 0.9930 0.9945 0.7761 0.0001 0.1121 -0.0305 189 GLN A CA 1494 C C . GLN A 189 ? 1.0040 1.0131 0.7829 -0.0050 0.1151 -0.0268 189 GLN A C 1495 O O . GLN A 189 ? 0.9779 0.9948 0.7663 -0.0124 0.1151 -0.0215 189 GLN A O 1496 C CB . GLN A 189 ? 1.0158 0.9966 0.7901 -0.0024 0.1050 -0.0321 189 GLN A CB 1497 C CG . GLN A 189 ? 0.9637 0.9410 0.7407 -0.0122 0.1006 -0.0271 189 GLN A CG 1498 C CD . GLN A 189 ? 0.9921 0.9751 0.7862 -0.0172 0.0984 -0.0231 189 GLN A CD 1499 O OE1 . GLN A 189 ? 0.9752 0.9628 0.7789 -0.0139 0.0993 -0.0243 189 GLN A OE1 1500 N NE2 . GLN A 189 ? 0.9458 0.9283 0.7431 -0.0246 0.0955 -0.0183 189 GLN A NE2 1501 N N . ASP A 190 ? 1.1324 1.1382 0.8962 -0.0009 0.1175 -0.0296 190 ASP A N 1502 C CA . ASP A 190 ? 1.1149 1.1266 0.8730 -0.0057 0.1201 -0.0262 190 ASP A CA 1503 C C . ASP A 190 ? 1.0393 1.0731 0.8052 -0.0054 0.1273 -0.0237 190 ASP A C 1504 O O . ASP A 190 ? 1.0127 1.0544 0.7822 -0.0130 0.1286 -0.0184 190 ASP A O 1505 C CB . ASP A 190 ? 1.1947 1.1951 0.9332 -0.0018 0.1201 -0.0301 190 ASP A CB 1506 C CG . ASP A 190 ? 1.3388 1.3392 1.0703 -0.0088 0.1200 -0.0261 190 ASP A CG 1507 O OD1 . ASP A 190 ? 1.3058 1.3213 1.0396 -0.0107 0.1254 -0.0229 190 ASP A OD1 1508 O OD2 . ASP A 190 ? 1.4078 1.3934 1.1311 -0.0127 0.1144 -0.0259 190 ASP A OD2 1509 N N . ASN A 191 ? 1.0566 1.1006 0.8249 0.0032 0.1317 -0.0274 191 ASN A N 1510 C CA . ASN A 191 ? 1.1352 1.2030 0.9127 0.0034 0.1384 -0.0251 191 ASN A CA 1511 C C . ASN A 191 ? 1.1788 1.2559 0.9726 -0.0062 0.1376 -0.0191 191 ASN A C 1512 O O . ASN A 191 ? 1.2393 1.3333 1.0381 -0.0111 0.1420 -0.0151 191 ASN A O 1513 C CB . ASN A 191 ? 1.1738 1.2511 0.9537 0.0147 0.1421 -0.0299 191 ASN A CB 1514 C CG . ASN A 191 ? 1.2703 1.3406 1.0329 0.0253 0.1442 -0.0359 191 ASN A CG 1515 O OD1 . ASN A 191 ? 1.2939 1.3593 1.0437 0.0239 0.1451 -0.0359 191 ASN A OD1 1516 N ND2 . ASN A 191 ? 1.3289 1.3984 1.0903 0.0364 0.1450 -0.0410 191 ASN A ND2 1517 N N . LEU A 192 ? 1.0675 1.1334 0.8688 -0.0089 0.1318 -0.0185 192 LEU A N 1518 C CA . LEU A 192 ? 0.9915 1.0645 0.8079 -0.0166 0.1307 -0.0137 192 LEU A CA 1519 C C . LEU A 192 ? 0.9374 0.9997 0.7531 -0.0264 0.1261 -0.0087 192 LEU A C 1520 O O . LEU A 192 ? 0.9040 0.9743 0.7265 -0.0340 0.1272 -0.0035 192 LEU A O 1521 C CB . LEU A 192 ? 0.9659 1.0359 0.7923 -0.0127 0.1278 -0.0161 192 LEU A CB 1522 C CG . LEU A 192 ? 1.0109 1.0997 0.8478 -0.0077 0.1324 -0.0174 192 LEU A CG 1523 C CD1 . LEU A 192 ? 1.0245 1.1241 0.8531 0.0012 0.1383 -0.0211 192 LEU A CD1 1524 C CD2 . LEU A 192 ? 0.9803 1.0621 0.8241 -0.0030 0.1287 -0.0204 192 LEU A CD2 1525 N N . TYR A 193 ? 1.0202 1.0645 0.8274 -0.0262 0.1208 -0.0101 193 TYR A N 1526 C CA . TYR A 193 ? 1.0388 1.0731 0.8465 -0.0341 0.1156 -0.0056 193 TYR A CA 1527 C C . TYR A 193 ? 1.1361 1.1606 0.9293 -0.0360 0.1140 -0.0050 193 TYR A C 1528 O O . TYR A 193 ? 1.1573 1.1742 0.9493 -0.0419 0.1099 -0.0011 193 TYR A O 1529 C CB . TYR A 193 ? 1.0316 1.0548 0.8459 -0.0337 0.1095 -0.0069 193 TYR A CB 1530 C CG . TYR A 193 ? 0.9751 1.0062 0.8020 -0.0303 0.1108 -0.0087 193 TYR A CG 1531 C CD1 . TYR A 193 ? 0.9373 0.9790 0.7767 -0.0350 0.1123 -0.0048 193 TYR A CD1 1532 C CD2 . TYR A 193 ? 0.9752 1.0024 0.8004 -0.0225 0.1104 -0.0141 193 TYR A CD2 1533 C CE1 . TYR A 193 ? 0.9182 0.9678 0.7690 -0.0320 0.1134 -0.0064 193 TYR A CE1 1534 C CE2 . TYR A 193 ? 0.9914 1.0259 0.8277 -0.0190 0.1116 -0.0156 193 TYR A CE2 1535 C CZ . TYR A 193 ? 0.9437 0.9901 0.7932 -0.0238 0.1131 -0.0117 193 TYR A CZ 1536 O OH . TYR A 193 ? 0.8582 0.9125 0.7188 -0.0205 0.1140 -0.0132 193 TYR A OH 1537 N N . GLY A 194 ? 1.2530 1.2777 1.0346 -0.0305 0.1170 -0.0089 194 GLY A N 1538 C CA . GLY A 194 ? 1.2346 1.2504 1.0014 -0.0318 0.1157 -0.0088 194 GLY A CA 1539 C C . GLY A 194 ? 1.2813 1.2795 1.0409 -0.0304 0.1091 -0.0119 194 GLY A C 1540 O O . GLY A 194 ? 1.3080 1.3009 1.0729 -0.0275 0.1063 -0.0147 194 GLY A O 1541 N N . SER A 195 ? 1.1420 1.1314 0.8893 -0.0331 0.1066 -0.0110 195 SER A N 1542 C CA . SER A 195 ? 1.1796 1.1533 0.9187 -0.0329 0.1002 -0.0137 195 SER A CA 1543 C C . SER A 195 ? 1.1039 1.0729 0.8499 -0.0394 0.0940 -0.0093 195 SER A C 1544 O O . SER A 195 ? 1.0128 0.9885 0.7667 -0.0439 0.0947 -0.0040 195 SER A O 1545 C CB . SER A 195 ? 1.2416 1.2082 0.9625 -0.0319 0.1003 -0.0158 195 SER A CB 1546 O OG . SER A 195 ? 1.1319 1.1028 0.8494 -0.0371 0.1013 -0.0108 195 SER A OG 1547 N N . GLY A 196 ? 1.0666 1.0240 0.8087 -0.0398 0.0879 -0.0114 196 GLY A N 1548 C CA . GLY A 196 ? 1.1449 1.0988 0.8927 -0.0451 0.0818 -0.0076 196 GLY A CA 1549 C C . GLY A 196 ? 1.1781 1.1309 0.9380 -0.0445 0.0787 -0.0086 196 GLY A C 1550 O O . GLY A 196 ? 1.0788 1.0354 0.8453 -0.0406 0.0819 -0.0111 196 GLY A O 1551 N N . ASP A 197 ? 1.3398 1.2882 1.1024 -0.0483 0.0725 -0.0064 197 ASP A N 1552 C CA . ASP A 197 ? 1.3193 1.2670 1.0931 -0.0484 0.0692 -0.0069 197 ASP A CA 1553 C C . ASP A 197 ? 1.2695 1.2261 1.0581 -0.0495 0.0711 -0.0028 197 ASP A C 1554 O O . ASP A 197 ? 1.2347 1.1935 1.0254 -0.0528 0.0697 0.0020 197 ASP A O 1555 C CB . ASP A 197 ? 1.3108 1.2523 1.0816 -0.0521 0.0619 -0.0061 197 ASP A CB 1556 C CG . ASP A 197 ? 1.4740 1.4055 1.2302 -0.0518 0.0594 -0.0106 197 ASP A CG 1557 O OD1 . ASP A 197 ? 1.5125 1.4396 1.2639 -0.0478 0.0623 -0.0152 197 ASP A OD1 1558 O OD2 . ASP A 197 ? 1.5040 1.4317 1.2529 -0.0556 0.0545 -0.0094 197 ASP A OD2 1559 N N . LYS A 198 ? 1.0816 1.0423 0.8793 -0.0465 0.0740 -0.0048 198 LYS A N 1560 C CA . LYS A 198 ? 1.0709 1.0400 0.8818 -0.0477 0.0763 -0.0015 198 LYS A CA 1561 C C . LYS A 198 ? 1.0079 0.9760 0.8300 -0.0487 0.0719 -0.0005 198 LYS A C 1562 O O . LYS A 198 ? 0.9680 0.9304 0.7892 -0.0479 0.0681 -0.0033 198 LYS A O 1563 C CB . LYS A 198 ? 1.0665 1.0436 0.8815 -0.0440 0.0825 -0.0037 198 LYS A CB 1564 C CG . LYS A 198 ? 1.1127 1.0929 0.9172 -0.0421 0.0875 -0.0050 198 LYS A CG 1565 C CD . LYS A 198 ? 1.0939 1.0765 0.8942 -0.0469 0.0884 0.0000 198 LYS A CD 1566 C CE . LYS A 198 ? 1.1479 1.1362 0.9392 -0.0454 0.0942 -0.0008 198 LYS A CE 1567 N NZ . LYS A 198 ? 1.2087 1.2000 0.9965 -0.0507 0.0956 0.0046 198 LYS A NZ 1568 N N . TYR A 199 ? 1.0221 0.9953 0.8538 -0.0509 0.0725 0.0034 199 TYR A N 1569 C CA . TYR A 199 ? 0.9408 0.9137 0.7831 -0.0517 0.0688 0.0046 199 TYR A CA 1570 C C . TYR A 199 ? 0.9829 0.9623 0.8360 -0.0527 0.0717 0.0071 199 TYR A C 1571 O O . TYR A 199 ? 1.0230 1.0064 0.8747 -0.0546 0.0754 0.0096 199 TYR A O 1572 C CB . TYR A 199 ? 0.9233 0.8920 0.7630 -0.0542 0.0632 0.0077 199 TYR A CB 1573 C CG . TYR A 199 ? 1.0598 1.0289 0.8959 -0.0566 0.0638 0.0127 199 TYR A CG 1574 C CD1 . TYR A 199 ? 1.1002 1.0670 0.9244 -0.0576 0.0644 0.0136 199 TYR A CD1 1575 C CD2 . TYR A 199 ? 1.0308 1.0013 0.8743 -0.0580 0.0636 0.0165 199 TYR A CD2 1576 C CE1 . TYR A 199 ? 1.0451 1.0111 0.8649 -0.0600 0.0649 0.0183 199 TYR A CE1 1577 C CE2 . TYR A 199 ? 1.1119 1.0805 0.9503 -0.0603 0.0639 0.0211 199 TYR A CE2 1578 C CZ . TYR A 199 ? 1.1242 1.0907 0.9509 -0.0613 0.0645 0.0221 199 TYR A CZ 1579 O OH . TYR A 199 ? 1.1581 1.1217 0.9789 -0.0637 0.0647 0.0270 199 TYR A OH 1580 N N . VAL A 200 ? 0.8576 0.8379 0.7209 -0.0519 0.0698 0.0063 200 VAL A N 1581 C CA . VAL A 200 ? 0.7656 0.7504 0.6391 -0.0535 0.0711 0.0089 200 VAL A CA 1582 C C . VAL A 200 ? 0.7960 0.7770 0.6743 -0.0543 0.0659 0.0111 200 VAL A C 1583 O O . VAL A 200 ? 0.7924 0.7721 0.6747 -0.0527 0.0627 0.0088 200 VAL A O 1584 C CB . VAL A 200 ? 0.7713 0.7624 0.6535 -0.0511 0.0743 0.0060 200 VAL A CB 1585 C CG1 . VAL A 200 ? 0.7175 0.7124 0.6100 -0.0535 0.0747 0.0088 200 VAL A CG1 1586 C CG2 . VAL A 200 ? 0.7461 0.7430 0.6239 -0.0494 0.0798 0.0041 200 VAL A CG2 1587 N N . ARG A 201 ? 0.8255 0.8045 0.7025 -0.0567 0.0648 0.0155 201 ARG A N 1588 C CA . ARG A 201 ? 0.8460 0.8218 0.7268 -0.0565 0.0599 0.0176 201 ARG A CA 1589 C C . ARG A 201 ? 0.8422 0.8180 0.7291 -0.0581 0.0609 0.0205 201 ARG A C 1590 O O . ARG A 201 ? 0.8641 0.8396 0.7477 -0.0608 0.0639 0.0231 201 ARG A O 1591 C CB . ARG A 201 ? 0.8300 0.8014 0.7018 -0.0568 0.0563 0.0202 201 ARG A CB 1592 C CG . ARG A 201 ? 0.8592 0.8301 0.7262 -0.0557 0.0536 0.0172 201 ARG A CG 1593 C CD . ARG A 201 ? 0.9275 0.8955 0.7839 -0.0564 0.0510 0.0195 201 ARG A CD 1594 N NE . ARG A 201 ? 1.0019 0.9690 0.8519 -0.0564 0.0494 0.0162 201 ARG A NE 1595 C CZ . ARG A 201 ? 1.0358 1.0005 0.8746 -0.0574 0.0492 0.0164 201 ARG A CZ 1596 N NH1 . ARG A 201 ? 1.0014 0.9649 0.8344 -0.0583 0.0507 0.0200 201 ARG A NH1 1597 N NH2 . ARG A 201 ? 0.9905 0.9534 0.8231 -0.0577 0.0474 0.0131 201 ARG A NH2 1598 N N . MET A 202 ? 0.9355 0.9115 0.8307 -0.0567 0.0582 0.0201 202 MET A N 1599 C CA . MET A 202 ? 0.9688 0.9437 0.8695 -0.0580 0.0586 0.0224 202 MET A CA 1600 C C . MET A 202 ? 0.9238 0.8952 0.8270 -0.0557 0.0536 0.0238 202 MET A C 1601 O O . MET A 202 ? 0.9703 0.9434 0.8748 -0.0534 0.0504 0.0221 202 MET A O 1602 C CB . MET A 202 ? 0.9985 0.9793 0.9086 -0.0583 0.0617 0.0198 202 MET A CB 1603 C CG . MET A 202 ? 1.1024 1.0850 1.0131 -0.0622 0.0657 0.0219 202 MET A CG 1604 S SD . MET A 202 ? 1.2040 1.1975 1.1231 -0.0622 0.0705 0.0183 202 MET A SD 1605 C CE . MET A 202 ? 0.9085 0.9053 0.8191 -0.0612 0.0739 0.0166 202 MET A CE 1606 N N . GLY A 203 ? 0.7428 0.7094 0.6458 -0.0564 0.0529 0.0269 203 GLY A N 1607 C CA . GLY A 203 ? 0.6995 0.6629 0.6038 -0.0532 0.0483 0.0283 203 GLY A CA 1608 C C . GLY A 203 ? 0.7326 0.6897 0.6373 -0.0538 0.0482 0.0309 203 GLY A C 1609 O O . GLY A 203 ? 0.8029 0.7551 0.7025 -0.0574 0.0507 0.0332 203 GLY A O 1610 N N . THR A 204 ? 0.7392 0.6963 0.6496 -0.0505 0.0452 0.0304 204 THR A N 1611 C CA . THR A 204 ? 0.7629 0.7122 0.6721 -0.0499 0.0440 0.0327 204 THR A CA 1612 C C . THR A 204 ? 0.7393 0.6868 0.6467 -0.0440 0.0392 0.0339 204 THR A C 1613 O O . THR A 204 ? 0.8156 0.7685 0.7221 -0.0417 0.0370 0.0334 204 THR A O 1614 C CB . THR A 204 ? 0.7316 0.6834 0.6504 -0.0514 0.0456 0.0306 204 THR A CB 1615 O OG1 . THR A 204 ? 0.7514 0.7103 0.6790 -0.0478 0.0433 0.0278 204 THR A OG1 1616 C CG2 . THR A 204 ? 0.6933 0.6505 0.6157 -0.0563 0.0503 0.0290 204 THR A CG2 1617 N N . GLU A 205 ? 0.8255 0.7661 0.7319 -0.0416 0.0374 0.0353 205 GLU A N 1618 C CA . GLU A 205 ? 0.8542 0.7947 0.7596 -0.0349 0.0330 0.0362 205 GLU A CA 1619 C C . GLU A 205 ? 0.9096 0.8627 0.8257 -0.0326 0.0314 0.0331 205 GLU A C 1620 O O . GLU A 205 ? 0.9465 0.9048 0.8622 -0.0281 0.0279 0.0336 205 GLU A O 1621 C CB . GLU A 205 ? 0.8303 0.7600 0.7323 -0.0325 0.0318 0.0378 205 GLU A CB 1622 C CG . GLU A 205 ? 0.8308 0.7454 0.7187 -0.0329 0.0315 0.0418 205 GLU A CG 1623 C CD . GLU A 205 ? 0.9511 0.8589 0.8357 -0.0409 0.0354 0.0426 205 GLU A CD 1624 O OE1 . GLU A 205 ? 0.9749 0.8686 0.8476 -0.0424 0.0352 0.0459 205 GLU A OE1 1625 O OE2 . GLU A 205 ? 0.9684 0.8849 0.8619 -0.0458 0.0387 0.0401 205 GLU A OE2 1626 N N . SER A 206 ? 0.9597 0.9182 0.8850 -0.0359 0.0338 0.0301 206 SER A N 1627 C CA . SER A 206 ? 0.9627 0.9313 0.8975 -0.0342 0.0323 0.0273 206 SER A CA 1628 C C . SER A 206 ? 0.9603 0.9361 0.8996 -0.0379 0.0341 0.0243 206 SER A C 1629 O O . SER A 206 ? 1.0075 0.9904 0.9539 -0.0375 0.0330 0.0219 206 SER A O 1630 C CB . SER A 206 ? 0.9502 0.9178 0.8920 -0.0335 0.0325 0.0261 206 SER A CB 1631 O OG . SER A 206 ? 1.0090 0.9755 0.9545 -0.0383 0.0363 0.0246 206 SER A OG 1632 N N . MET A 207 ? 0.8578 0.8312 0.7921 -0.0412 0.0369 0.0245 207 MET A N 1633 C CA . MET A 207 ? 0.8761 0.8545 0.8129 -0.0439 0.0391 0.0214 207 MET A CA 1634 C C . MET A 207 ? 0.8139 0.7909 0.7421 -0.0455 0.0400 0.0222 207 MET A C 1635 O O . MET A 207 ? 0.8236 0.7952 0.7451 -0.0466 0.0415 0.0246 207 MET A O 1636 C CB . MET A 207 ? 0.8508 0.8294 0.7932 -0.0465 0.0430 0.0197 207 MET A CB 1637 C CG . MET A 207 ? 0.8707 0.8539 0.8151 -0.0481 0.0455 0.0164 207 MET A CG 1638 S SD . MET A 207 ? 0.9162 0.8979 0.8522 -0.0507 0.0495 0.0169 207 MET A SD 1639 C CE . MET A 207 ? 0.8902 0.8711 0.8290 -0.0537 0.0535 0.0183 207 MET A CE 1640 N N . ASN A 208 ? 0.9584 0.9396 0.8858 -0.0460 0.0390 0.0200 208 ASN A N 1641 C CA . ASN A 208 ? 0.9808 0.9606 0.8998 -0.0476 0.0403 0.0199 208 ASN A CA 1642 C C . ASN A 208 ? 0.9805 0.9622 0.9011 -0.0493 0.0431 0.0161 208 ASN A C 1643 O O . ASN A 208 ? 0.9067 0.8912 0.8333 -0.0489 0.0424 0.0135 208 ASN A O 1644 C CB . ASN A 208 ? 0.9409 0.9228 0.8546 -0.0467 0.0360 0.0208 208 ASN A CB 1645 C CG . ASN A 208 ? 1.1190 1.1005 1.0316 -0.0436 0.0326 0.0242 208 ASN A CG 1646 O OD1 . ASN A 208 ? 1.1648 1.1408 1.0756 -0.0425 0.0337 0.0267 208 ASN A OD1 1647 N ND2 . ASN A 208 ? 1.1233 1.1107 1.0364 -0.0421 0.0283 0.0245 208 ASN A ND2 1648 N N . PHE A 209 ? 0.7821 0.7620 0.6962 -0.0507 0.0464 0.0159 209 PHE A N 1649 C CA . PHE A 209 ? 0.7052 0.6863 0.6187 -0.0511 0.0492 0.0122 209 PHE A CA 1650 C C . PHE A 209 ? 0.7535 0.7324 0.6563 -0.0519 0.0502 0.0121 209 PHE A C 1651 O O . PHE A 209 ? 0.8024 0.7796 0.6998 -0.0530 0.0514 0.0150 209 PHE A O 1652 C CB . PHE A 209 ? 0.6754 0.6589 0.5946 -0.0514 0.0538 0.0114 209 PHE A CB 1653 C CG . PHE A 209 ? 0.7316 0.7171 0.6495 -0.0505 0.0571 0.0077 209 PHE A CG 1654 C CD1 . PHE A 209 ? 0.6992 0.6853 0.6103 -0.0510 0.0608 0.0077 209 PHE A CD1 1655 C CD2 . PHE A 209 ? 0.6318 0.6184 0.5546 -0.0487 0.0564 0.0044 209 PHE A CD2 1656 C CE1 . PHE A 209 ? 0.6505 0.6387 0.5597 -0.0490 0.0639 0.0041 209 PHE A CE1 1657 C CE2 . PHE A 209 ? 0.7082 0.6953 0.6285 -0.0468 0.0593 0.0009 209 PHE A CE2 1658 C CZ . PHE A 209 ? 0.7301 0.7183 0.6436 -0.0466 0.0631 0.0007 209 PHE A CZ 1659 N N . ALA A 210 ? 0.7514 0.7295 0.6503 -0.0516 0.0496 0.0088 210 ALA A N 1660 C CA . ALA A 210 ? 0.7638 0.7391 0.6517 -0.0522 0.0505 0.0080 210 ALA A CA 1661 C C . ALA A 210 ? 0.7500 0.7232 0.6347 -0.0511 0.0517 0.0033 210 ALA A C 1662 O O . ALA A 210 ? 0.7571 0.7287 0.6432 -0.0511 0.0486 0.0013 210 ALA A O 1663 C CB . ALA A 210 ? 0.7052 0.6790 0.5869 -0.0534 0.0459 0.0099 210 ALA A CB 1664 N N . LYS A 211 ? 0.8660 0.8392 0.7458 -0.0500 0.0563 0.0018 211 LYS A N 1665 C CA . LYS A 211 ? 0.8575 0.8273 0.7321 -0.0477 0.0576 -0.0028 211 LYS A CA 1666 C C . LYS A 211 ? 0.9166 0.8849 0.7803 -0.0467 0.0610 -0.0039 211 LYS A C 1667 O O . LYS A 211 ? 0.9030 0.8752 0.7660 -0.0476 0.0641 -0.0014 211 LYS A O 1668 C CB . LYS A 211 ? 0.8616 0.8350 0.7451 -0.0449 0.0604 -0.0048 211 LYS A CB 1669 C CG . LYS A 211 ? 0.9152 0.8829 0.7956 -0.0427 0.0589 -0.0092 211 LYS A CG 1670 C CD . LYS A 211 ? 0.9197 0.8908 0.8050 -0.0384 0.0630 -0.0117 211 LYS A CD 1671 C CE . LYS A 211 ? 1.0118 0.9745 0.8896 -0.0353 0.0618 -0.0163 211 LYS A CE 1672 N NZ . LYS A 211 ? 0.9579 0.9126 0.8315 -0.0388 0.0559 -0.0164 211 LYS A NZ 1673 N N . SER A 212 ? 0.9149 0.8768 0.7694 -0.0451 0.0604 -0.0079 212 SER A N 1674 C CA . SER A 212 ? 0.8954 0.8549 0.7382 -0.0433 0.0636 -0.0098 212 SER A CA 1675 C C . SER A 212 ? 0.9227 0.8812 0.7636 -0.0380 0.0672 -0.0143 212 SER A C 1676 O O . SER A 212 ? 0.9445 0.9003 0.7897 -0.0362 0.0657 -0.0165 212 SER A O 1677 C CB . SER A 212 ? 0.8834 0.8346 0.7134 -0.0456 0.0595 -0.0106 212 SER A CB 1678 O OG . SER A 212 ? 1.0055 0.9588 0.8368 -0.0496 0.0561 -0.0064 212 SER A OG 1679 N N . PRO A 213 ? 0.9943 0.9554 0.8287 -0.0350 0.0721 -0.0156 213 PRO A N 1680 C CA . PRO A 213 ? 0.9908 0.9509 0.8216 -0.0286 0.0755 -0.0202 213 PRO A CA 1681 C C . PRO A 213 ? 1.0088 0.9547 0.8271 -0.0267 0.0720 -0.0246 213 PRO A C 1682 O O . PRO A 213 ? 1.0600 0.9977 0.8673 -0.0297 0.0689 -0.0247 213 PRO A O 1683 C CB . PRO A 213 ? 0.9880 0.9548 0.8130 -0.0265 0.0812 -0.0201 213 PRO A CB 1684 C CG . PRO A 213 ? 0.9871 0.9531 0.8078 -0.0321 0.0795 -0.0163 213 PRO A CG 1685 C CD . PRO A 213 ? 0.9879 0.9542 0.8187 -0.0370 0.0750 -0.0126 213 PRO A CD 1686 N N . GLU A 214 ? 0.9695 0.9118 0.7888 -0.0219 0.0724 -0.0280 214 GLU A N 1687 C CA . GLU A 214 ? 1.0427 0.9696 0.8489 -0.0198 0.0691 -0.0324 214 GLU A CA 1688 C C . GLU A 214 ? 1.0641 0.9885 0.8614 -0.0110 0.0737 -0.0369 214 GLU A C 1689 O O . GLU A 214 ? 1.0307 0.9577 0.8334 -0.0054 0.0756 -0.0387 214 GLU A O 1690 C CB . GLU A 214 ? 0.9531 0.8751 0.7657 -0.0217 0.0647 -0.0325 214 GLU A CB 1691 C CG . GLU A 214 ? 0.9819 0.9081 0.8040 -0.0293 0.0604 -0.0282 214 GLU A CG 1692 C CD . GLU A 214 ? 1.1759 1.1073 1.0126 -0.0297 0.0593 -0.0268 214 GLU A CD 1693 O OE1 . GLU A 214 ? 1.0983 1.0287 0.9370 -0.0245 0.0612 -0.0294 214 GLU A OE1 1694 O OE2 . GLU A 214 ? 1.1238 1.0604 0.9695 -0.0348 0.0565 -0.0232 214 GLU A OE2 1695 N N . ILE A 215 ? 0.9763 0.8957 0.7594 -0.0093 0.0752 -0.0387 215 ILE A N 1696 C CA . ILE A 215 ? 0.9567 0.8764 0.7309 -0.0003 0.0804 -0.0427 215 ILE A CA 1697 C C . ILE A 215 ? 0.9424 0.8449 0.7030 0.0057 0.0783 -0.0481 215 ILE A C 1698 O O . ILE A 215 ? 1.0194 0.9049 0.7655 0.0028 0.0738 -0.0501 215 ILE A O 1699 C CB . ILE A 215 ? 0.9637 0.8840 0.7266 -0.0007 0.0829 -0.0427 215 ILE A CB 1700 C CG1 . ILE A 215 ? 1.0033 0.9405 0.7786 -0.0059 0.0855 -0.0373 215 ILE A CG1 1701 C CG2 . ILE A 215 ? 0.9400 0.8601 0.6922 0.0094 0.0880 -0.0472 215 ILE A CG2 1702 C CD1 . ILE A 215 ? 1.0887 1.0263 0.8535 -0.0079 0.0872 -0.0364 215 ILE A CD1 1703 N N . ALA A 216 ? 0.9513 0.8579 0.7158 0.0140 0.0816 -0.0504 216 ALA A N 1704 C CA . ALA A 216 ? 1.0003 0.8903 0.7518 0.0212 0.0800 -0.0555 216 ALA A CA 1705 C C . ALA A 216 ? 1.0101 0.9108 0.7679 0.0318 0.0852 -0.0574 216 ALA A C 1706 O O . ALA A 216 ? 0.9829 0.9035 0.7583 0.0314 0.0885 -0.0543 216 ALA A O 1707 C CB . ALA A 216 ? 0.9944 0.8714 0.7467 0.0153 0.0733 -0.0551 216 ALA A CB 1708 N N . ALA A 217 ? 1.0926 0.9799 0.8351 0.0414 0.0856 -0.0626 217 ALA A N 1709 C CA . ALA A 217 ? 1.1200 1.0168 0.8665 0.0531 0.0902 -0.0648 217 ALA A CA 1710 C C . ALA A 217 ? 1.0827 0.9733 0.8352 0.0544 0.0868 -0.0652 217 ALA A C 1711 O O . ALA A 217 ? 1.0745 0.9427 0.8128 0.0555 0.0822 -0.0681 217 ALA A O 1712 C CB . ALA A 217 ? 1.1313 1.0175 0.8572 0.0646 0.0929 -0.0704 217 ALA A CB 1713 N N . ARG A 218 ? 1.0932 1.0033 0.8660 0.0537 0.0889 -0.0620 218 ARG A N 1714 C CA . ARG A 218 ? 1.1270 1.0341 0.9070 0.0554 0.0863 -0.0621 218 ARG A CA 1715 C C . ARG A 218 ? 1.1303 1.0435 0.9086 0.0693 0.0905 -0.0654 218 ARG A C 1716 O O . ARG A 218 ? 1.2162 1.1438 0.9945 0.0759 0.0961 -0.0663 218 ARG A O 1717 C CB . ARG A 218 ? 1.0691 0.9928 0.8715 0.0466 0.0857 -0.0569 218 ARG A CB 1718 C CG . ARG A 218 ? 1.0314 0.9465 0.8357 0.0343 0.0802 -0.0539 218 ARG A CG 1719 C CD . ARG A 218 ? 0.9948 0.9168 0.7997 0.0275 0.0815 -0.0513 218 ARG A CD 1720 N NE . ARG A 218 ? 1.0932 1.0109 0.9026 0.0164 0.0765 -0.0479 218 ARG A NE 1721 C CZ . ARG A 218 ? 1.1019 1.0257 0.9143 0.0092 0.0765 -0.0446 218 ARG A CZ 1722 N NH1 . ARG A 218 ? 1.0516 0.9856 0.8627 0.0113 0.0814 -0.0441 218 ARG A NH1 1723 N NH2 . ARG A 218 ? 1.1364 1.0567 0.9528 0.0003 0.0717 -0.0416 218 ARG A NH2 1724 N N . PRO A 219 ? 1.0173 0.9202 0.7937 0.0741 0.0876 -0.0672 219 PRO A N 1725 C CA . PRO A 219 ? 1.0747 0.9850 0.8511 0.0879 0.0913 -0.0700 219 PRO A CA 1726 C C . PRO A 219 ? 1.0770 1.0195 0.8734 0.0896 0.0973 -0.0671 219 PRO A C 1727 O O . PRO A 219 ? 1.0689 1.0255 0.8827 0.0794 0.0971 -0.0626 219 PRO A O 1728 C CB . PRO A 219 ? 1.0317 0.9298 0.8096 0.0880 0.0865 -0.0701 219 PRO A CB 1729 C CG . PRO A 219 ? 1.0120 0.8860 0.7783 0.0780 0.0801 -0.0700 219 PRO A CG 1730 C CD . PRO A 219 ? 0.9474 0.8304 0.7198 0.0672 0.0808 -0.0668 219 PRO A CD 1731 N N . ALA A 220 ? 1.0778 1.0318 0.8709 0.1022 0.1025 -0.0698 220 ALA A N 1732 C CA . ALA A 220 ? 1.0475 1.0334 0.8584 0.1032 0.1084 -0.0671 220 ALA A CA 1733 C C . ALA A 220 ? 0.9898 0.9892 0.8195 0.1013 0.1075 -0.0644 220 ALA A C 1734 O O . ALA A 220 ? 0.9836 0.9740 0.8102 0.1085 0.1052 -0.0665 220 ALA A O 1735 C CB . ALA A 220 ? 1.0131 1.0094 0.8156 0.1179 0.1141 -0.0708 220 ALA A CB 1736 N N . VAL A 221 ? 0.8959 0.9155 0.7441 0.0912 0.1091 -0.0596 221 VAL A N 1737 C CA . VAL A 221 ? 0.8734 0.9099 0.7403 0.0891 0.1092 -0.0568 221 VAL A CA 1738 C C . VAL A 221 ? 0.8346 0.9013 0.7154 0.0865 0.1150 -0.0537 221 VAL A C 1739 O O . VAL A 221 ? 0.8440 0.9153 0.7266 0.0776 0.1164 -0.0510 221 VAL A O 1740 C CB . VAL A 221 ? 0.8486 0.8753 0.7242 0.0766 0.1037 -0.0535 221 VAL A CB 1741 C CG1 . VAL A 221 ? 0.6909 0.7365 0.5859 0.0739 0.1042 -0.0505 221 VAL A CG1 1742 C CG2 . VAL A 221 ? 0.7543 0.7528 0.6166 0.0782 0.0979 -0.0562 221 VAL A CG2 1743 N N . ASN A 222 ? 0.9346 1.0220 0.8247 0.0940 0.1183 -0.0539 222 ASN A N 1744 C CA . ASN A 222 ? 1.0003 1.1186 0.9024 0.0925 0.1242 -0.0513 222 ASN A CA 1745 C C . ASN A 222 ? 1.0325 1.1549 0.9243 0.0944 0.1286 -0.0522 222 ASN A C 1746 O O . ASN A 222 ? 1.0284 1.1691 0.9281 0.0866 0.1322 -0.0487 222 ASN A O 1747 C CB . ASN A 222 ? 0.9414 1.0706 0.8604 0.0775 0.1232 -0.0458 222 ASN A CB 1748 C CG . ASN A 222 ? 0.9531 1.0845 0.8843 0.0761 0.1200 -0.0447 222 ASN A CG 1749 O OD1 . ASN A 222 ? 0.9999 1.1303 0.9293 0.0868 0.1194 -0.0475 222 ASN A OD1 1750 N ND2 . ASN A 222 ? 0.9155 1.0495 0.8585 0.0632 0.1179 -0.0404 222 ASN A ND2 1751 N N . GLY A 223 ? 0.8809 0.9851 0.7541 0.1045 0.1282 -0.0570 223 GLY A N 1752 C CA . GLY A 223 ? 0.8735 0.9790 0.7344 0.1080 0.1322 -0.0586 223 GLY A CA 1753 C C . GLY A 223 ? 0.9836 1.0743 0.8382 0.0964 0.1300 -0.0568 223 GLY A C 1754 O O . GLY A 223 ? 1.0679 1.1634 0.9150 0.0968 0.1337 -0.0571 223 GLY A O 1755 N N . GLN A 224 ? 0.9897 1.0631 0.8469 0.0864 0.1242 -0.0549 224 GLN A N 1756 C CA . GLN A 224 ? 0.9507 1.0117 0.8031 0.0752 0.1219 -0.0527 224 GLN A CA 1757 C C . GLN A 224 ? 0.9578 0.9878 0.7961 0.0742 0.1156 -0.0552 224 GLN A C 1758 O O . GLN A 224 ? 1.0068 1.0257 0.8477 0.0738 0.1112 -0.0556 224 GLN A O 1759 C CB . GLN A 224 ? 0.9009 0.9732 0.7705 0.0615 0.1209 -0.0469 224 GLN A CB 1760 C CG . GLN A 224 ? 0.9338 1.0359 0.8186 0.0605 0.1261 -0.0440 224 GLN A CG 1761 C CD . GLN A 224 ? 0.9629 1.0808 0.8433 0.0622 0.1321 -0.0436 224 GLN A CD 1762 O OE1 . GLN A 224 ? 0.9772 1.0849 0.8468 0.0591 0.1321 -0.0437 224 GLN A OE1 1763 N NE2 . GLN A 224 ? 0.9858 1.1298 0.8747 0.0669 0.1374 -0.0432 224 GLN A NE2 1764 N N . ARG A 225 ? 0.9381 0.9549 0.7613 0.0732 0.1152 -0.0567 225 ARG A N 1765 C CA . ARG A 225 ? 0.9599 0.9482 0.7688 0.0704 0.1092 -0.0587 225 ARG A CA 1766 C C . ARG A 225 ? 0.9519 0.9372 0.7668 0.0561 0.1058 -0.0543 225 ARG A C 1767 O O . ARG A 225 ? 0.9425 0.9079 0.7497 0.0509 0.1002 -0.0547 225 ARG A O 1768 C CB . ARG A 225 ? 1.0225 0.9962 0.8093 0.0783 0.1102 -0.0635 225 ARG A CB 1769 C CG . ARG A 225 ? 1.0914 1.0690 0.8704 0.0941 0.1142 -0.0681 225 ARG A CG 1770 C CD . ARG A 225 ? 1.1361 1.0862 0.8980 0.1015 0.1096 -0.0728 225 ARG A CD 1771 N NE . ARG A 225 ? 1.2970 1.2243 1.0361 0.1026 0.1077 -0.0763 225 ARG A NE 1772 C CZ . ARG A 225 ? 1.3355 1.2338 1.0561 0.1055 0.1027 -0.0801 225 ARG A CZ 1773 N NH1 . ARG A 225 ? 1.2373 1.1258 0.9595 0.1077 0.0991 -0.0808 225 ARG A NH1 1774 N NH2 . ARG A 225 ? 1.2875 1.1661 0.9871 0.1056 0.1012 -0.0831 225 ARG A NH2 1775 N N . SER A 226 ? 0.8899 0.8952 0.7180 0.0498 0.1091 -0.0500 226 SER A N 1776 C CA . SER A 226 ? 0.9120 0.9164 0.7475 0.0370 0.1061 -0.0453 226 SER A CA 1777 C C . SER A 226 ? 0.8853 0.8925 0.7362 0.0320 0.1029 -0.0426 226 SER A C 1778 O O . SER A 226 ? 0.7855 0.7971 0.6422 0.0379 0.1034 -0.0441 226 SER A O 1779 C CB . SER A 226 ? 0.8426 0.8649 0.6837 0.0321 0.1108 -0.0416 226 SER A CB 1780 O OG . SER A 226 ? 0.9888 1.0073 0.8151 0.0354 0.1132 -0.0437 226 SER A OG 1781 N N . ARG A 227 ? 0.8051 0.8098 0.6622 0.0215 0.0996 -0.0387 227 ARG A N 1782 C CA . ARG A 227 ? 0.7468 0.7535 0.6177 0.0162 0.0964 -0.0360 227 ARG A CA 1783 C C . ARG A 227 ? 0.7595 0.7752 0.6405 0.0064 0.0964 -0.0307 227 ARG A C 1784 O O . ARG A 227 ? 0.7728 0.7887 0.6484 0.0026 0.0975 -0.0290 227 ARG A O 1785 C CB . ARG A 227 ? 0.7164 0.7033 0.5815 0.0145 0.0900 -0.0375 227 ARG A CB 1786 C CG . ARG A 227 ? 0.7905 0.7661 0.6463 0.0234 0.0890 -0.0422 227 ARG A CG 1787 C CD . ARG A 227 ? 0.7444 0.7315 0.6118 0.0287 0.0910 -0.0426 227 ARG A CD 1788 N NE . ARG A 227 ? 0.7774 0.7512 0.6352 0.0371 0.0891 -0.0469 227 ARG A NE 1789 C CZ . ARG A 227 ? 0.8129 0.7868 0.6614 0.0481 0.0924 -0.0507 227 ARG A CZ 1790 N NH1 . ARG A 227 ? 0.8613 0.8502 0.7100 0.0517 0.0980 -0.0507 227 ARG A NH1 1791 N NH2 . ARG A 227 ? 0.8363 0.7952 0.6747 0.0556 0.0901 -0.0544 227 ARG A NH2 1792 N N . ILE A 228 ? 0.7762 0.7983 0.6711 0.0026 0.0951 -0.0282 228 ILE A N 1793 C CA . ILE A 228 ? 0.7071 0.7327 0.6099 -0.0067 0.0937 -0.0234 228 ILE A CA 1794 C C . ILE A 228 ? 0.7192 0.7359 0.6279 -0.0102 0.0882 -0.0225 228 ILE A C 1795 O O . ILE A 228 ? 0.7389 0.7564 0.6535 -0.0069 0.0873 -0.0241 228 ILE A O 1796 C CB . ILE A 228 ? 0.7436 0.7880 0.6579 -0.0092 0.0980 -0.0204 228 ILE A CB 1797 C CG1 . ILE A 228 ? 0.7496 0.8044 0.6582 -0.0077 0.1035 -0.0202 228 ILE A CG1 1798 C CG2 . ILE A 228 ? 0.6765 0.7212 0.5987 -0.0184 0.0957 -0.0157 228 ILE A CG2 1799 C CD1 . ILE A 228 ? 0.6776 0.7516 0.5964 -0.0117 0.1077 -0.0169 228 ILE A CD1 1800 N N . ASP A 229 ? 0.8875 0.8964 0.7943 -0.0164 0.0845 -0.0201 229 ASP A N 1801 C CA . ASP A 229 ? 0.8142 0.8182 0.7281 -0.0203 0.0798 -0.0185 229 ASP A CA 1802 C C . ASP A 229 ? 0.7754 0.7893 0.7006 -0.0255 0.0808 -0.0143 229 ASP A C 1803 O O . ASP A 229 ? 0.7709 0.7851 0.6944 -0.0303 0.0808 -0.0112 229 ASP A O 1804 C CB . ASP A 229 ? 0.8534 0.8447 0.7592 -0.0239 0.0749 -0.0181 229 ASP A CB 1805 C CG . ASP A 229 ? 0.9775 0.9566 0.8746 -0.0205 0.0719 -0.0220 229 ASP A CG 1806 O OD1 . ASP A 229 ? 0.9806 0.9594 0.8806 -0.0162 0.0722 -0.0244 229 ASP A OD1 1807 O OD2 . ASP A 229 ? 1.0377 1.0068 0.9241 -0.0225 0.0690 -0.0226 229 ASP A OD2 1808 N N . TYR A 230 ? 0.6342 0.6554 0.5700 -0.0245 0.0816 -0.0144 230 TYR A N 1809 C CA . TYR A 230 ? 0.5855 0.6149 0.5317 -0.0296 0.0822 -0.0107 230 TYR A CA 1810 C C . TYR A 230 ? 0.5546 0.5763 0.5044 -0.0337 0.0772 -0.0087 230 TYR A C 1811 O O . TYR A 230 ? 0.6207 0.6347 0.5695 -0.0319 0.0736 -0.0105 230 TYR A O 1812 C CB . TYR A 230 ? 0.5498 0.5907 0.5056 -0.0270 0.0848 -0.0116 230 TYR A CB 1813 C CG . TYR A 230 ? 0.6359 0.6871 0.5893 -0.0219 0.0898 -0.0137 230 TYR A CG 1814 C CD1 . TYR A 230 ? 0.6531 0.7006 0.6008 -0.0140 0.0901 -0.0180 230 TYR A CD1 1815 C CD2 . TYR A 230 ? 0.6784 0.7431 0.6345 -0.0248 0.0942 -0.0114 230 TYR A CD2 1816 C CE1 . TYR A 230 ? 0.6894 0.7469 0.6344 -0.0080 0.0948 -0.0200 230 TYR A CE1 1817 C CE2 . TYR A 230 ? 0.6368 0.7133 0.5911 -0.0197 0.0991 -0.0133 230 TYR A CE2 1818 C CZ . TYR A 230 ? 0.6767 0.7498 0.6256 -0.0108 0.0994 -0.0177 230 TYR A CZ 1819 O OH . TYR A 230 ? 0.7118 0.7971 0.6584 -0.0045 0.1042 -0.0197 230 TYR A OH 1820 N N . TYR A 231 ? 0.5042 0.5278 0.4575 -0.0390 0.0770 -0.0049 231 TYR A N 1821 C CA . TYR A 231 ? 0.5377 0.5550 0.4941 -0.0419 0.0725 -0.0029 231 TYR A CA 1822 C C . TYR A 231 ? 0.5383 0.5606 0.5028 -0.0458 0.0732 0.0000 231 TYR A C 1823 O O . TYR A 231 ? 0.5941 0.6240 0.5599 -0.0479 0.0769 0.0013 231 TYR A O 1824 C CB . TYR A 231 ? 0.5469 0.5563 0.4949 -0.0441 0.0700 -0.0010 231 TYR A CB 1825 C CG . TYR A 231 ? 0.5852 0.5882 0.5247 -0.0414 0.0683 -0.0038 231 TYR A CG 1826 C CD1 . TYR A 231 ? 0.5906 0.5874 0.5299 -0.0407 0.0639 -0.0051 231 TYR A CD1 1827 C CD2 . TYR A 231 ? 0.6359 0.6388 0.5665 -0.0399 0.0711 -0.0050 231 TYR A CD2 1828 C CE1 . TYR A 231 ? 0.5748 0.5648 0.5051 -0.0393 0.0620 -0.0075 231 TYR A CE1 1829 C CE2 . TYR A 231 ? 0.6264 0.6218 0.5476 -0.0378 0.0694 -0.0077 231 TYR A CE2 1830 C CZ . TYR A 231 ? 0.6883 0.6769 0.6092 -0.0378 0.0647 -0.0089 231 TYR A CZ 1831 O OH . TYR A 231 ? 0.7226 0.7028 0.6332 -0.0368 0.0625 -0.0114 231 TYR A OH 1832 N N . TRP A 232 ? 0.5755 0.5936 0.5446 -0.0469 0.0695 0.0009 232 TRP A N 1833 C CA . TRP A 232 ? 0.5384 0.5585 0.5133 -0.0506 0.0695 0.0036 232 TRP A CA 1834 C C . TRP A 232 ? 0.5159 0.5276 0.4895 -0.0517 0.0652 0.0056 232 TRP A C 1835 O O . TRP A 232 ? 0.5406 0.5476 0.5115 -0.0496 0.0621 0.0046 232 TRP A O 1836 C CB . TRP A 232 ? 0.4993 0.5261 0.4838 -0.0495 0.0702 0.0020 232 TRP A CB 1837 C CG . TRP A 232 ? 0.5543 0.5772 0.5426 -0.0466 0.0666 0.0000 232 TRP A CG 1838 C CD1 . TRP A 232 ? 0.5412 0.5627 0.5282 -0.0424 0.0658 -0.0031 232 TRP A CD1 1839 C CD2 . TRP A 232 ? 0.5193 0.5386 0.5122 -0.0477 0.0632 0.0012 232 TRP A CD2 1840 N NE1 . TRP A 232 ? 0.5327 0.5506 0.5235 -0.0416 0.0621 -0.0038 232 TRP A NE1 1841 C CE2 . TRP A 232 ? 0.4974 0.5147 0.4924 -0.0445 0.0606 -0.0013 232 TRP A CE2 1842 C CE3 . TRP A 232 ? 0.4969 0.5138 0.4914 -0.0511 0.0621 0.0039 232 TRP A CE3 1843 C CZ2 . TRP A 232 ? 0.4629 0.4778 0.4624 -0.0446 0.0572 -0.0009 232 TRP A CZ2 1844 C CZ3 . TRP A 232 ? 0.4997 0.5133 0.4983 -0.0504 0.0587 0.0040 232 TRP A CZ3 1845 C CH2 . TRP A 232 ? 0.4776 0.4912 0.4792 -0.0472 0.0564 0.0016 232 TRP A CH2 1846 N N . SER A 233 ? 0.5628 0.5728 0.5375 -0.0552 0.0649 0.0086 233 SER A N 1847 C CA . SER A 233 ? 0.5248 0.5272 0.4984 -0.0552 0.0609 0.0104 233 SER A CA 1848 C C . SER A 233 ? 0.5618 0.5624 0.5375 -0.0587 0.0612 0.0128 233 SER A C 1849 O O . SER A 233 ? 0.6018 0.6077 0.5799 -0.0620 0.0643 0.0131 233 SER A O 1850 C CB . SER A 233 ? 0.5592 0.5554 0.5236 -0.0551 0.0593 0.0123 233 SER A CB 1851 O OG . SER A 233 ? 0.5720 0.5620 0.5353 -0.0542 0.0555 0.0143 233 SER A OG 1852 N N . VAL A 234 ? 0.5784 0.5717 0.5527 -0.0580 0.0577 0.0144 234 VAL A N 1853 C CA . VAL A 234 ? 0.5677 0.5563 0.5419 -0.0610 0.0573 0.0165 234 VAL A CA 1854 C C . VAL A 234 ? 0.6410 0.6188 0.6055 -0.0611 0.0551 0.0198 234 VAL A C 1855 O O . VAL A 234 ? 0.6677 0.6422 0.6300 -0.0570 0.0519 0.0199 234 VAL A O 1856 C CB . VAL A 234 ? 0.5127 0.5019 0.4945 -0.0589 0.0550 0.0149 234 VAL A CB 1857 C CG1 . VAL A 234 ? 0.5223 0.5041 0.5019 -0.0616 0.0540 0.0170 234 VAL A CG1 1858 C CG2 . VAL A 234 ? 0.5716 0.5708 0.5624 -0.0587 0.0570 0.0120 234 VAL A CG2 1859 N N . LEU A 235 ? 0.6576 0.6305 0.6158 -0.0659 0.0568 0.0226 235 LEU A N 1860 C CA . LEU A 235 ? 0.6424 0.6030 0.5897 -0.0662 0.0547 0.0260 235 LEU A CA 1861 C C . LEU A 235 ? 0.7025 0.6540 0.6485 -0.0664 0.0523 0.0271 235 LEU A C 1862 O O . LEU A 235 ? 0.7269 0.6772 0.6734 -0.0716 0.0538 0.0277 235 LEU A O 1863 C CB . LEU A 235 ? 0.7008 0.6594 0.6400 -0.0718 0.0576 0.0287 235 LEU A CB 1864 C CG . LEU A 235 ? 0.7591 0.7048 0.6852 -0.0721 0.0558 0.0325 235 LEU A CG 1865 C CD1 . LEU A 235 ? 0.7538 0.6999 0.6771 -0.0663 0.0537 0.0321 235 LEU A CD1 1866 C CD2 . LEU A 235 ? 0.7382 0.6831 0.6572 -0.0792 0.0592 0.0351 235 LEU A CD2 1867 N N . ARG A 236 ? 0.9106 0.8562 0.8547 -0.0606 0.0485 0.0272 236 ARG A N 1868 C CA . ARG A 236 ? 0.9201 0.8569 0.8627 -0.0593 0.0460 0.0277 236 ARG A CA 1869 C C . ARG A 236 ? 0.9143 0.8357 0.8435 -0.0624 0.0454 0.0314 236 ARG A C 1870 O O . ARG A 236 ? 0.9374 0.8545 0.8582 -0.0636 0.0459 0.0338 236 ARG A O 1871 C CB . ARG A 236 ? 0.9907 0.9278 0.9353 -0.0514 0.0423 0.0267 236 ARG A CB 1872 C CG . ARG A 236 ? 1.0443 0.9948 1.0010 -0.0490 0.0424 0.0233 236 ARG A CG 1873 C CD . ARG A 236 ? 1.2416 1.1929 1.2000 -0.0422 0.0386 0.0227 236 ARG A CD 1874 N NE . ARG A 236 ? 1.3115 1.2692 1.2697 -0.0390 0.0373 0.0226 236 ARG A NE 1875 C CZ . ARG A 236 ? 1.3403 1.3034 1.3016 -0.0339 0.0343 0.0219 236 ARG A CZ 1876 N NH1 . ARG A 236 ? 1.2876 1.2507 1.2526 -0.0308 0.0326 0.0211 236 ARG A NH1 1877 N NH2 . ARG A 236 ? 1.2508 1.2200 1.2113 -0.0323 0.0330 0.0220 236 ARG A NH2 1878 N N . PRO A 237 ? 0.7523 0.6643 0.6786 -0.0640 0.0442 0.0319 237 PRO A N 1879 C CA . PRO A 237 ? 0.7242 0.6184 0.6358 -0.0670 0.0430 0.0354 237 PRO A CA 1880 C C . PRO A 237 ? 0.8209 0.7046 0.7215 -0.0603 0.0400 0.0376 237 PRO A C 1881 O O . PRO A 237 ? 0.7649 0.6494 0.6676 -0.0520 0.0371 0.0364 237 PRO A O 1882 C CB . PRO A 237 ? 0.7083 0.5946 0.6196 -0.0675 0.0414 0.0345 237 PRO A CB 1883 C CG . PRO A 237 ? 0.7023 0.6048 0.6291 -0.0688 0.0432 0.0310 237 PRO A CG 1884 C CD . PRO A 237 ? 0.6542 0.5705 0.5897 -0.0636 0.0437 0.0292 237 PRO A CD 1885 N N . GLY A 238 ? 0.8763 0.7516 0.7655 -0.0637 0.0406 0.0408 238 GLY A N 1886 C CA . GLY A 238 ? 0.8460 0.7114 0.7240 -0.0575 0.0378 0.0433 238 GLY A CA 1887 C C . GLY A 238 ? 0.8569 0.7339 0.7382 -0.0552 0.0386 0.0432 238 GLY A C 1888 O O . GLY A 238 ? 0.9739 0.8438 0.8450 -0.0519 0.0369 0.0457 238 GLY A O 1889 N N . GLU A 239 ? 0.8765 0.7705 0.7711 -0.0566 0.0410 0.0401 239 GLU A N 1890 C CA . GLU A 239 ? 0.8546 0.7591 0.7519 -0.0552 0.0419 0.0396 239 GLU A CA 1891 C C . GLU A 239 ? 0.8981 0.8020 0.7896 -0.0624 0.0454 0.0416 239 GLU A C 1892 O O . GLU A 239 ? 0.8995 0.7997 0.7890 -0.0694 0.0477 0.0426 239 GLU A O 1893 C CB . GLU A 239 ? 0.8248 0.7458 0.7366 -0.0537 0.0430 0.0355 239 GLU A CB 1894 C CG . GLU A 239 ? 0.8610 0.7858 0.7787 -0.0464 0.0395 0.0337 239 GLU A CG 1895 C CD . GLU A 239 ? 0.9152 0.8550 0.8454 -0.0456 0.0403 0.0301 239 GLU A CD 1896 O OE1 . GLU A 239 ? 0.8408 0.7871 0.7764 -0.0503 0.0437 0.0284 239 GLU A OE1 1897 O OE2 . GLU A 239 ? 0.9232 0.8683 0.8570 -0.0403 0.0375 0.0290 239 GLU A OE2 1898 N N . THR A 240 ? 0.8863 0.7945 0.7750 -0.0611 0.0457 0.0421 240 THR A N 1899 C CA . THR A 240 ? 0.9057 0.8156 0.7896 -0.0674 0.0493 0.0436 240 THR A CA 1900 C C . THR A 240 ? 0.8620 0.7860 0.7526 -0.0660 0.0511 0.0409 240 THR A C 1901 O O . THR A 240 ? 0.8660 0.7941 0.7597 -0.0601 0.0485 0.0393 240 THR A O 1902 C CB . THR A 240 ? 0.9943 0.8899 0.8621 -0.0682 0.0479 0.0482 240 THR A CB 1903 O OG1 . THR A 240 ? 1.0551 0.9552 0.9189 -0.0733 0.0513 0.0493 240 THR A OG1 1904 C CG2 . THR A 240 ? 1.0409 0.9324 0.9041 -0.0597 0.0435 0.0489 240 THR A CG2 1905 N N . LEU A 241 ? 0.8729 0.8043 0.7652 -0.0714 0.0554 0.0403 241 LEU A N 1906 C CA . LEU A 241 ? 0.8524 0.7959 0.7500 -0.0701 0.0575 0.0374 241 LEU A CA 1907 C C . LEU A 241 ? 0.8491 0.7917 0.7369 -0.0724 0.0593 0.0394 241 LEU A C 1908 O O . LEU A 241 ? 0.8937 0.8326 0.7749 -0.0781 0.0617 0.0423 241 LEU A O 1909 C CB . LEU A 241 ? 0.8355 0.7904 0.7434 -0.0731 0.0613 0.0345 241 LEU A CB 1910 C CG . LEU A 241 ? 0.8261 0.7924 0.7376 -0.0720 0.0642 0.0314 241 LEU A CG 1911 C CD1 . LEU A 241 ? 0.8012 0.7698 0.7168 -0.0659 0.0612 0.0284 241 LEU A CD1 1912 C CD2 . LEU A 241 ? 0.8166 0.7937 0.7365 -0.0749 0.0684 0.0293 241 LEU A CD2 1913 N N . ASN A 242 ? 0.8725 0.8183 0.7589 -0.0684 0.0580 0.0381 242 ASN A N 1914 C CA . ASN A 242 ? 0.8728 0.8190 0.7504 -0.0701 0.0597 0.0394 242 ASN A CA 1915 C C . ASN A 242 ? 0.8757 0.8332 0.7581 -0.0695 0.0626 0.0355 242 ASN A C 1916 O O . ASN A 242 ? 0.9189 0.8804 0.8065 -0.0653 0.0607 0.0323 242 ASN A O 1917 C CB . ASN A 242 ? 0.9056 0.8447 0.7746 -0.0660 0.0554 0.0415 242 ASN A CB 1918 C CG . ASN A 242 ? 0.9332 0.8589 0.7929 -0.0664 0.0530 0.0461 242 ASN A CG 1919 O OD1 . ASN A 242 ? 1.0575 0.9777 0.9143 -0.0714 0.0550 0.0482 242 ASN A OD1 1920 N ND2 . ASN A 242 ? 0.9573 0.8776 0.8114 -0.0612 0.0486 0.0477 242 ASN A ND2 1921 N N . VAL A 243 ? 0.8444 0.8067 0.7241 -0.0736 0.0673 0.0358 243 VAL A N 1922 C CA . VAL A 243 ? 0.8768 0.8487 0.7586 -0.0722 0.0703 0.0321 243 VAL A CA 1923 C C . VAL A 243 ? 0.9080 0.8780 0.7786 -0.0726 0.0710 0.0334 243 VAL A C 1924 O O . VAL A 243 ? 0.9668 0.9340 0.8297 -0.0769 0.0730 0.0369 243 VAL A O 1925 C CB . VAL A 243 ? 0.8381 0.8201 0.7260 -0.0753 0.0755 0.0308 243 VAL A CB 1926 C CG1 . VAL A 243 ? 0.8233 0.8143 0.7123 -0.0723 0.0784 0.0267 243 VAL A CG1 1927 C CG2 . VAL A 243 ? 0.8756 0.8597 0.7742 -0.0753 0.0748 0.0297 243 VAL A CG2 1928 N N . GLU A 244 ? 0.9957 0.9666 0.8646 -0.0686 0.0691 0.0307 244 GLU A N 1929 C CA . GLU A 244 ? 1.0384 1.0081 0.8967 -0.0688 0.0698 0.0313 244 GLU A CA 1930 C C . GLU A 244 ? 1.0740 1.0503 0.9332 -0.0662 0.0720 0.0265 244 GLU A C 1931 O O . GLU A 244 ? 1.0896 1.0664 0.9535 -0.0629 0.0694 0.0231 244 GLU A O 1932 C CB . GLU A 244 ? 1.0755 1.0375 0.9272 -0.0667 0.0644 0.0334 244 GLU A CB 1933 C CG . GLU A 244 ? 1.1941 1.1542 1.0337 -0.0672 0.0647 0.0345 244 GLU A CG 1934 C CD . GLU A 244 ? 1.2109 1.1651 1.0443 -0.0648 0.0591 0.0365 244 GLU A CD 1935 O OE1 . GLU A 244 ? 1.1784 1.1336 1.0060 -0.0637 0.0578 0.0350 244 GLU A OE1 1936 O OE2 . GLU A 244 ? 1.1805 1.1292 1.0144 -0.0639 0.0559 0.0396 244 GLU A OE2 1937 N N . SER A 245 ? 0.9659 0.9469 0.8199 -0.0678 0.0767 0.0261 245 SER A N 1938 C CA . SER A 245 ? 0.9752 0.9615 0.8282 -0.0646 0.0791 0.0214 245 SER A CA 1939 C C . SER A 245 ? 1.0003 0.9883 0.8424 -0.0656 0.0825 0.0218 245 SER A C 1940 O O . SER A 245 ? 1.0103 0.9993 0.8480 -0.0698 0.0850 0.0256 245 SER A O 1941 C CB . SER A 245 ? 0.9232 0.9183 0.7862 -0.0634 0.0828 0.0185 245 SER A CB 1942 O OG . SER A 245 ? 0.9067 0.9065 0.7668 -0.0596 0.0857 0.0142 245 SER A OG 1943 N N . ASN A 246 ? 1.0480 1.0357 0.8847 -0.0620 0.0826 0.0178 246 ASN A N 1944 C CA . ASN A 246 ? 1.0404 1.0300 0.8662 -0.0621 0.0861 0.0174 246 ASN A CA 1945 C C . ASN A 246 ? 1.0601 1.0555 0.8857 -0.0575 0.0898 0.0120 246 ASN A C 1946 O O . ASN A 246 ? 1.1329 1.1285 0.9485 -0.0560 0.0921 0.0103 246 ASN A O 1947 C CB . ASN A 246 ? 1.0369 1.0179 0.8517 -0.0622 0.0819 0.0181 246 ASN A CB 1948 C CG . ASN A 246 ? 1.0921 1.0687 0.9047 -0.0583 0.0786 0.0134 246 ASN A CG 1949 O OD1 . ASN A 246 ? 1.0817 1.0590 0.9024 -0.0560 0.0776 0.0104 246 ASN A OD1 1950 N ND2 . ASN A 246 ? 1.1030 1.0746 0.9040 -0.0582 0.0767 0.0128 246 ASN A ND2 1951 N N . GLY A 247 ? 1.0278 1.0274 0.8638 -0.0549 0.0905 0.0094 247 GLY A N 1952 C CA . GLY A 247 ? 0.9980 1.0031 0.8341 -0.0496 0.0941 0.0044 247 GLY A CA 1953 C C . GLY A 247 ? 0.9617 0.9692 0.8093 -0.0467 0.0933 0.0019 247 GLY A C 1954 O O . GLY A 247 ? 0.9873 0.9894 0.8410 -0.0480 0.0887 0.0028 247 GLY A O 1955 N N . ASN A 248 ? 0.9788 0.9952 0.8292 -0.0424 0.0978 -0.0012 248 ASN A N 1956 C CA . ASN A 248 ? 0.9698 0.9882 0.8289 -0.0380 0.0974 -0.0045 248 ASN A CA 1957 C C . ASN A 248 ? 0.9155 0.9384 0.7884 -0.0414 0.0962 -0.0018 248 ASN A C 1958 O O . ASN A 248 ? 0.8864 0.9092 0.7664 -0.0383 0.0948 -0.0042 248 ASN A O 1959 C CB . ASN A 248 ? 0.9408 0.9460 0.7946 -0.0349 0.0924 -0.0080 248 ASN A CB 1960 C CG . ASN A 248 ? 0.9845 0.9840 0.8241 -0.0307 0.0935 -0.0117 248 ASN A CG 1961 O OD1 . ASN A 248 ? 1.0698 1.0634 0.8998 -0.0333 0.0920 -0.0104 248 ASN A OD1 1962 N ND2 . ASN A 248 ? 0.9567 0.9575 0.7942 -0.0239 0.0959 -0.0163 248 ASN A ND2 1963 N N . LEU A 249 ? 0.7807 0.8066 0.6562 -0.0476 0.0968 0.0031 249 LEU A N 1964 C CA . LEU A 249 ? 0.7479 0.7760 0.6346 -0.0512 0.0953 0.0056 249 LEU A CA 1965 C C . LEU A 249 ? 0.7898 0.8322 0.6855 -0.0509 0.0998 0.0052 249 LEU A C 1966 O O . LEU A 249 ? 0.8447 0.8976 0.7387 -0.0529 0.1046 0.0066 249 LEU A O 1967 C CB . LEU A 249 ? 0.7830 0.8065 0.6673 -0.0579 0.0936 0.0110 249 LEU A CB 1968 C CG . LEU A 249 ? 0.8079 0.8330 0.7016 -0.0623 0.0927 0.0141 249 LEU A CG 1969 C CD1 . LEU A 249 ? 0.7544 0.7736 0.6554 -0.0596 0.0881 0.0122 249 LEU A CD1 1970 C CD2 . LEU A 249 ? 0.7980 0.8170 0.6863 -0.0686 0.0915 0.0194 249 LEU A CD2 1971 N N . ILE A 250 ? 0.8591 0.9031 0.7645 -0.0486 0.0983 0.0034 250 ILE A N 1972 C CA . ILE A 250 ? 0.7808 0.8382 0.6963 -0.0499 0.1015 0.0041 250 ILE A CA 1973 C C . ILE A 250 ? 0.7896 0.8434 0.7103 -0.0571 0.0989 0.0084 250 ILE A C 1974 O O . ILE A 250 ? 0.8079 0.8544 0.7337 -0.0566 0.0948 0.0080 250 ILE A O 1975 C CB . ILE A 250 ? 0.7395 0.8008 0.6623 -0.0434 0.1014 -0.0002 250 ILE A CB 1976 C CG1 . ILE A 250 ? 0.7323 0.7925 0.6474 -0.0354 0.1029 -0.0048 250 ILE A CG1 1977 C CG2 . ILE A 250 ? 0.7678 0.8452 0.7009 -0.0449 0.1049 0.0007 250 ILE A CG2 1978 C CD1 . ILE A 250 ? 0.7726 0.8451 0.6828 -0.0338 0.1088 -0.0051 250 ILE A CD1 1979 N N . ALA A 251 ? 0.7760 0.8340 0.6943 -0.0637 0.1013 0.0125 251 ALA A N 1980 C CA . ALA A 251 ? 0.7645 0.8146 0.6833 -0.0705 0.0984 0.0169 251 ALA A CA 1981 C C . ALA A 251 ? 0.7614 0.8165 0.6910 -0.0732 0.0980 0.0175 251 ALA A C 1982 O O . ALA A 251 ? 0.7415 0.8107 0.6781 -0.0725 0.1014 0.0161 251 ALA A O 1983 C CB . ALA A 251 ? 0.7419 0.7930 0.6526 -0.0773 0.1010 0.0213 251 ALA A CB 1984 N N . PRO A 252 ? 0.6977 0.7415 0.6284 -0.0759 0.0936 0.0196 252 PRO A N 1985 C CA . PRO A 252 ? 0.7241 0.7711 0.6629 -0.0800 0.0932 0.0210 252 PRO A CA 1986 C C . PRO A 252 ? 0.7525 0.8054 0.6885 -0.0886 0.0964 0.0251 252 PRO A C 1987 O O . PRO A 252 ? 0.7827 0.8269 0.7091 -0.0931 0.0958 0.0286 252 PRO A O 1988 C CB . PRO A 252 ? 0.6213 0.6528 0.5591 -0.0798 0.0877 0.0222 252 PRO A CB 1989 C CG . PRO A 252 ? 0.6710 0.6923 0.5983 -0.0787 0.0859 0.0234 252 PRO A CG 1990 C CD . PRO A 252 ? 0.6878 0.7162 0.6126 -0.0744 0.0888 0.0205 252 PRO A CD 1991 N N . TRP A 253 ? 0.6921 0.7600 0.6358 -0.0911 0.0996 0.0247 253 TRP A N 1992 C CA . TRP A 253 ? 0.6521 0.7283 0.5940 -0.1005 0.1028 0.0286 253 TRP A CA 1993 C C . TRP A 253 ? 0.6687 0.7416 0.6155 -0.1065 0.1004 0.0305 253 TRP A C 1994 O O . TRP A 253 ? 0.6657 0.7251 0.6054 -0.1128 0.0980 0.0342 253 TRP A O 1995 C CB . TRP A 253 ? 0.6584 0.7569 0.6051 -0.0992 0.1084 0.0269 253 TRP A CB 1996 C CG . TRP A 253 ? 0.6973 0.8077 0.6417 -0.1093 0.1123 0.0310 253 TRP A CG 1997 C CD1 . TRP A 253 ? 0.6503 0.7512 0.5866 -0.1194 0.1113 0.0361 253 TRP A CD1 1998 C CD2 . TRP A 253 ? 0.6366 0.7711 0.5862 -0.1102 0.1178 0.0305 253 TRP A CD2 1999 N NE1 . TRP A 253 ? 0.6769 0.7943 0.6130 -0.1277 0.1157 0.0389 253 TRP A NE1 2000 C CE2 . TRP A 253 ? 0.6951 0.8346 0.6399 -0.1221 0.1199 0.0356 253 TRP A CE2 2001 C CE3 . TRP A 253 ? 0.6425 0.7949 0.5999 -0.1019 0.1210 0.0264 253 TRP A CE3 2002 C CZ2 . TRP A 253 ? 0.7095 0.8733 0.6580 -0.1264 0.1252 0.0367 253 TRP A CZ2 2003 C CZ3 . TRP A 253 ? 0.6211 0.7976 0.5821 -0.1049 0.1263 0.0273 253 TRP A CZ3 2004 C CH2 . TRP A 253 ? 0.6370 0.8201 0.5941 -0.1174 0.1284 0.0324 253 TRP A CH2 2005 N N . TYR A 254 ? 0.7097 0.7938 0.6676 -0.1040 0.1009 0.0278 254 TYR A N 2006 C CA . TYR A 254 ? 0.7711 0.8518 0.7343 -0.1086 0.0983 0.0288 254 TYR A CA 2007 C C . TYR A 254 ? 0.7185 0.7879 0.6861 -0.1014 0.0937 0.0259 254 TYR A C 2008 O O . TYR A 254 ? 0.7079 0.7762 0.6769 -0.0929 0.0931 0.0226 254 TYR A O 2009 C CB . TYR A 254 ? 0.7395 0.8411 0.7124 -0.1117 0.1015 0.0283 254 TYR A CB 2010 C CG . TYR A 254 ? 0.7825 0.8944 0.7512 -0.1223 0.1051 0.0324 254 TYR A CG 2011 C CD1 . TYR A 254 ? 0.7923 0.9178 0.7582 -0.1217 0.1098 0.0326 254 TYR A CD1 2012 C CD2 . TYR A 254 ? 0.8016 0.9092 0.7680 -0.1331 0.1037 0.0361 254 TYR A CD2 2013 C CE1 . TYR A 254 ? 0.7639 0.9001 0.7258 -0.1321 0.1133 0.0367 254 TYR A CE1 2014 C CE2 . TYR A 254 ? 0.8626 0.9794 0.8243 -0.1441 0.1068 0.0401 254 TYR A CE2 2015 C CZ . TYR A 254 ? 0.8747 1.0065 0.8345 -0.1436 0.1117 0.0405 254 TYR A CZ 2016 O OH . TYR A 254 ? 0.9004 1.0427 0.8556 -0.1551 0.1148 0.0448 254 TYR A OH 2017 N N . ALA A 255 ? 0.6749 0.7354 0.6437 -0.1053 0.0905 0.0273 255 ALA A N 2018 C CA . ALA A 255 ? 0.5748 0.6244 0.5470 -0.0994 0.0861 0.0251 255 ALA A CA 2019 C C . ALA A 255 ? 0.5908 0.6396 0.5682 -0.1039 0.0843 0.0257 255 ALA A C 2020 O O . ALA A 255 ? 0.6131 0.6687 0.5905 -0.1121 0.0861 0.0280 255 ALA A O 2021 C CB . ALA A 255 ? 0.6108 0.6418 0.5734 -0.0976 0.0826 0.0266 255 ALA A CB 2022 N N . TYR A 256 ? 0.6020 0.6428 0.5833 -0.0990 0.0805 0.0237 256 TYR A N 2023 C CA . TYR A 256 ? 0.5424 0.5834 0.5293 -0.1021 0.0788 0.0236 256 TYR A CA 2024 C C . TYR A 256 ? 0.5516 0.5736 0.5328 -0.1022 0.0743 0.0248 256 TYR A C 2025 O O . TYR A 256 ? 0.6272 0.6409 0.6076 -0.0954 0.0716 0.0233 256 TYR A O 2026 C CB . TYR A 256 ? 0.5145 0.5668 0.5132 -0.0957 0.0790 0.0196 256 TYR A CB 2027 C CG . TYR A 256 ? 0.4523 0.5242 0.4569 -0.0946 0.0833 0.0181 256 TYR A CG 2028 C CD1 . TYR A 256 ? 0.4910 0.5774 0.5010 -0.1005 0.0857 0.0190 256 TYR A CD1 2029 C CD2 . TYR A 256 ? 0.4974 0.5737 0.5019 -0.0874 0.0850 0.0157 256 TYR A CD2 2030 C CE1 . TYR A 256 ? 0.5285 0.6348 0.5442 -0.0985 0.0898 0.0177 256 TYR A CE1 2031 C CE2 . TYR A 256 ? 0.5469 0.6407 0.5559 -0.0851 0.0891 0.0142 256 TYR A CE2 2032 C CZ . TYR A 256 ? 0.5320 0.6415 0.5470 -0.0902 0.0916 0.0152 256 TYR A CZ 2033 O OH . TYR A 256 ? 0.6254 0.7540 0.6449 -0.0869 0.0957 0.0136 256 TYR A OH 2034 N N . LYS A 257 ? 0.5974 0.6125 0.5738 -0.1101 0.0733 0.0275 257 LYS A N 2035 C CA . LYS A 257 ? 0.6512 0.6494 0.6231 -0.1093 0.0690 0.0280 257 LYS A CA 2036 C C . LYS A 257 ? 0.5921 0.5968 0.5751 -0.1057 0.0677 0.0247 257 LYS A C 2037 O O . LYS A 257 ? 0.6620 0.6796 0.6523 -0.1096 0.0695 0.0241 257 LYS A O 2038 C CB . LYS A 257 ? 0.7211 0.7076 0.6824 -0.1190 0.0681 0.0318 257 LYS A CB 2039 C CG . LYS A 257 ? 0.7303 0.7034 0.6779 -0.1206 0.0678 0.0351 257 LYS A CG 2040 C CD . LYS A 257 ? 0.8379 0.8018 0.7742 -0.1318 0.0679 0.0391 257 LYS A CD 2041 C CE . LYS A 257 ? 0.8499 0.8015 0.7723 -0.1333 0.0680 0.0426 257 LYS A CE 2042 N NZ . LYS A 257 ? 1.0259 0.9679 0.9360 -0.1453 0.0681 0.0469 257 LYS A NZ 2043 N N . PHE A 258 ? 0.6884 0.6855 0.6729 -0.0981 0.0646 0.0228 258 PHE A N 2044 C CA . PHE A 258 ? 0.6534 0.6577 0.6487 -0.0931 0.0635 0.0195 258 PHE A CA 2045 C C . PHE A 258 ? 0.6315 0.6244 0.6253 -0.0930 0.0599 0.0194 258 PHE A C 2046 O O . PHE A 258 ? 0.7200 0.6987 0.7063 -0.0900 0.0571 0.0203 258 PHE A O 2047 C CB . PHE A 258 ? 0.6265 0.6333 0.6252 -0.0844 0.0630 0.0171 258 PHE A CB 2048 C CG . PHE A 258 ? 0.6332 0.6491 0.6426 -0.0796 0.0626 0.0137 258 PHE A CG 2049 C CD1 . PHE A 258 ? 0.6479 0.6783 0.6643 -0.0784 0.0655 0.0118 258 PHE A CD1 2050 C CD2 . PHE A 258 ? 0.6537 0.6633 0.6654 -0.0759 0.0592 0.0125 258 PHE A CD2 2051 C CE1 . PHE A 258 ? 0.6256 0.6630 0.6506 -0.0737 0.0649 0.0089 258 PHE A CE1 2052 C CE2 . PHE A 258 ? 0.6836 0.7009 0.7044 -0.0719 0.0587 0.0096 258 PHE A CE2 2053 C CZ . PHE A 258 ? 0.6223 0.6529 0.6495 -0.0709 0.0614 0.0079 258 PHE A CZ 2054 N N . VAL A 259 ? 0.5812 0.5806 0.5817 -0.0960 0.0599 0.0183 259 VAL A N 2055 C CA . VAL A 259 ? 0.6571 0.6465 0.6565 -0.0955 0.0565 0.0178 259 VAL A CA 2056 C C . VAL A 259 ? 0.6834 0.6790 0.6926 -0.0882 0.0552 0.0144 259 VAL A C 2057 O O . VAL A 259 ? 0.6252 0.6347 0.6442 -0.0880 0.0567 0.0126 259 VAL A O 2058 C CB . VAL A 259 ? 0.6829 0.6734 0.6817 -0.1045 0.0567 0.0188 259 VAL A CB 2059 C CG1 . VAL A 259 ? 0.6639 0.6391 0.6573 -0.1043 0.0530 0.0187 259 VAL A CG1 2060 C CG2 . VAL A 259 ? 0.7634 0.7516 0.7536 -0.1134 0.0587 0.0222 259 VAL A CG2 2061 N N . SER A 260 ? 0.8634 0.8493 0.8699 -0.0819 0.0523 0.0138 260 SER A N 2062 C CA . SER A 260 ? 0.8962 0.8872 0.9110 -0.0754 0.0508 0.0110 260 SER A CA 2063 C C . SER A 260 ? 0.9412 0.9321 0.9599 -0.0771 0.0493 0.0098 260 SER A C 2064 O O . SER A 260 ? 0.9956 0.9752 1.0074 -0.0801 0.0476 0.0110 260 SER A O 2065 C CB . SER A 260 ? 0.9316 0.9141 0.9421 -0.0688 0.0482 0.0109 260 SER A CB 2066 O OG . SER A 260 ? 1.0313 1.0216 1.0498 -0.0633 0.0474 0.0085 260 SER A OG 2067 N N . THR A 261 ? 1.0190 1.0218 1.0480 -0.0749 0.0498 0.0074 261 THR A N 2068 C CA . THR A 261 ? 1.1146 1.1189 1.1482 -0.0761 0.0484 0.0061 261 THR A CA 2069 C C . THR A 261 ? 1.2123 1.2077 1.2442 -0.0706 0.0451 0.0051 261 THR A C 2070 O O . THR A 261 ? 1.2027 1.1956 1.2332 -0.0650 0.0441 0.0049 261 THR A O 2071 C CB . THR A 261 ? 1.0804 1.1006 1.1252 -0.0749 0.0499 0.0040 261 THR A CB 2072 O OG1 . THR A 261 ? 1.1605 1.1842 1.2089 -0.0791 0.0493 0.0036 261 THR A OG1 2073 C CG2 . THR A 261 ? 1.0917 1.1142 1.1415 -0.0674 0.0486 0.0019 261 THR A CG2 2074 N N . ASN A 262 ? 1.6925 1.6838 1.7241 -0.0724 0.0434 0.0045 262 ASN A N 2075 C CA . ASN A 262 ? 1.7881 1.7731 1.8189 -0.0670 0.0406 0.0033 262 ASN A CA 2076 C C . ASN A 262 ? 1.7689 1.7652 1.8103 -0.0647 0.0404 0.0009 262 ASN A C 2077 O O . ASN A 262 ? 1.8123 1.8088 1.8560 -0.0592 0.0387 -0.0003 262 ASN A O 2078 C CB . ASN A 262 ? 1.8364 1.8073 1.8580 -0.0697 0.0385 0.0041 262 ASN A CB 2079 C CG . ASN A 262 ? 1.9209 1.8838 1.9392 -0.0627 0.0357 0.0030 262 ASN A CG 2080 O OD1 . ASN A 262 ? 1.9534 1.9241 1.9792 -0.0581 0.0350 0.0012 262 ASN A OD1 2081 N ND2 . ASN A 262 ? 1.9535 1.9010 1.9599 -0.0617 0.0341 0.0043 262 ASN A ND2 2082 N N . LYS A 263 ? 1.3357 1.3423 1.3834 -0.0688 0.0421 0.0005 263 LYS A N 2083 C CA . LYS A 263 ? 1.2872 1.3049 1.3446 -0.0663 0.0421 -0.0016 263 LYS A CA 2084 C C . LYS A 263 ? 1.2061 1.2303 1.2675 -0.0612 0.0430 -0.0024 263 LYS A C 2085 O O . LYS A 263 ? 1.1724 1.1916 1.2294 -0.0585 0.0429 -0.0017 263 LYS A O 2086 C CB . LYS A 263 ? 1.2801 1.3079 1.3426 -0.0717 0.0436 -0.0017 263 LYS A CB 2087 C CG . LYS A 263 ? 1.3281 1.3496 1.3844 -0.0794 0.0433 -0.0001 263 LYS A CG 2088 C CD . LYS A 263 ? 1.4209 1.4362 1.4759 -0.0804 0.0406 -0.0011 263 LYS A CD 2089 C CE . LYS A 263 ? 1.4556 1.4632 1.5030 -0.0890 0.0401 0.0004 263 LYS A CE 2090 N NZ . LYS A 263 ? 1.3836 1.3789 1.4252 -0.0892 0.0370 -0.0005 263 LYS A NZ 2091 N N . LYS A 264 ? 1.2025 1.2374 1.2715 -0.0597 0.0438 -0.0039 264 LYS A N 2092 C CA . LYS A 264 ? 1.1983 1.2371 1.2699 -0.0547 0.0441 -0.0049 264 LYS A CA 2093 C C . LYS A 264 ? 1.1158 1.1600 1.1871 -0.0548 0.0469 -0.0047 264 LYS A C 2094 O O . LYS A 264 ? 1.1161 1.1572 1.1839 -0.0523 0.0471 -0.0045 264 LYS A O 2095 C CB . LYS A 264 ? 1.0686 1.1136 1.1468 -0.0521 0.0431 -0.0068 264 LYS A CB 2096 C CG . LYS A 264 ? 0.9491 0.9963 1.0287 -0.0473 0.0429 -0.0079 264 LYS A CG 2097 C CD . LYS A 264 ? 1.0166 1.0692 1.1019 -0.0455 0.0418 -0.0094 264 LYS A CD 2098 C CE . LYS A 264 ? 0.9249 0.9786 1.0104 -0.0412 0.0415 -0.0106 264 LYS A CE 2099 N NZ . LYS A 264 ? 0.8478 0.9056 0.9380 -0.0395 0.0402 -0.0117 264 LYS A NZ 2100 N N . GLY A 265 ? 0.8709 0.9239 0.9456 -0.0577 0.0490 -0.0046 265 GLY A N 2101 C CA . GLY A 265 ? 0.8016 0.8615 0.8761 -0.0573 0.0520 -0.0044 265 GLY A CA 2102 C C . GLY A 265 ? 0.6824 0.7482 0.7605 -0.0515 0.0525 -0.0065 265 GLY A C 2103 O O . GLY A 265 ? 0.7266 0.7875 0.8044 -0.0476 0.0504 -0.0076 265 GLY A O 2104 N N . ALA A 266 ? 0.5421 0.6185 0.6227 -0.0507 0.0552 -0.0069 266 ALA A N 2105 C CA . ALA A 266 ? 0.5069 0.5880 0.5895 -0.0444 0.0556 -0.0090 266 ALA A CA 2106 C C . ALA A 266 ? 0.5064 0.5964 0.5883 -0.0426 0.0592 -0.0092 266 ALA A C 2107 O O . ALA A 266 ? 0.4877 0.5855 0.5707 -0.0470 0.0614 -0.0078 266 ALA A O 2108 C CB . ALA A 266 ? 0.4808 0.5683 0.5699 -0.0429 0.0544 -0.0100 266 ALA A CB 2109 N N . VAL A 267 ? 0.5541 0.6425 0.6333 -0.0363 0.0595 -0.0110 267 VAL A N 2110 C CA . VAL A 267 ? 0.4220 0.5189 0.4999 -0.0328 0.0628 -0.0118 267 VAL A CA 2111 C C . VAL A 267 ? 0.5293 0.6309 0.6093 -0.0255 0.0626 -0.0140 267 VAL A C 2112 O O . VAL A 267 ? 0.6273 0.7197 0.7022 -0.0205 0.0612 -0.0157 267 VAL A O 2113 C CB . VAL A 267 ? 0.5056 0.5941 0.5753 -0.0314 0.0637 -0.0120 267 VAL A CB 2114 C CG1 . VAL A 267 ? 0.5203 0.6178 0.5880 -0.0271 0.0673 -0.0130 267 VAL A CG1 2115 C CG2 . VAL A 267 ? 0.5103 0.5932 0.5771 -0.0380 0.0636 -0.0095 267 VAL A CG2 2116 N N . PHE A 268 ? 0.5334 0.6490 0.6204 -0.0253 0.0636 -0.0140 268 PHE A N 2117 C CA . PHE A 268 ? 0.5008 0.6215 0.5900 -0.0178 0.0632 -0.0160 268 PHE A CA 2118 C C . PHE A 268 ? 0.6059 0.7340 0.6920 -0.0107 0.0663 -0.0174 268 PHE A C 2119 O O . PHE A 268 ? 0.6679 0.8100 0.7568 -0.0122 0.0696 -0.0166 268 PHE A O 2120 C CB . PHE A 268 ? 0.5148 0.6486 0.6129 -0.0201 0.0628 -0.0153 268 PHE A CB 2121 C CG . PHE A 268 ? 0.4924 0.6188 0.5930 -0.0255 0.0595 -0.0144 268 PHE A CG 2122 C CD1 . PHE A 268 ? 0.5361 0.6470 0.6325 -0.0244 0.0565 -0.0150 268 PHE A CD1 2123 C CD2 . PHE A 268 ? 0.4784 0.6139 0.5853 -0.0319 0.0593 -0.0130 268 PHE A CD2 2124 C CE1 . PHE A 268 ? 0.5090 0.6143 0.6076 -0.0287 0.0537 -0.0143 268 PHE A CE1 2125 C CE2 . PHE A 268 ? 0.4921 0.6201 0.6003 -0.0362 0.0563 -0.0124 268 PHE A CE2 2126 C CZ . PHE A 268 ? 0.4877 0.6010 0.5920 -0.0342 0.0537 -0.0131 268 PHE A CZ 2127 N N . LYS A 269 ? 0.6615 0.7802 0.7411 -0.0030 0.0653 -0.0196 269 LYS A N 2128 C CA . LYS A 269 ? 0.5722 0.6969 0.6478 0.0057 0.0679 -0.0215 269 LYS A CA 2129 C C . LYS A 269 ? 0.6306 0.7658 0.7112 0.0121 0.0674 -0.0225 269 LYS A C 2130 O O . LYS A 269 ? 0.6879 0.8133 0.7659 0.0162 0.0644 -0.0237 269 LYS A O 2131 C CB . LYS A 269 ? 0.6179 0.7249 0.6817 0.0107 0.0668 -0.0235 269 LYS A CB 2132 C CG . LYS A 269 ? 0.7087 0.8081 0.7667 0.0061 0.0679 -0.0227 269 LYS A CG 2133 C CD . LYS A 269 ? 0.7753 0.8558 0.8215 0.0095 0.0658 -0.0244 269 LYS A CD 2134 C CE . LYS A 269 ? 0.8665 0.9336 0.9120 0.0046 0.0615 -0.0237 269 LYS A CE 2135 N NZ . LYS A 269 ? 0.9352 0.9846 0.9689 0.0067 0.0592 -0.0252 269 LYS A NZ 2136 N N . SER A 270 ? 0.6315 0.7873 0.7190 0.0128 0.0704 -0.0219 270 SER A N 2137 C CA . SER A 270 ? 0.6115 0.7808 0.7056 0.0176 0.0699 -0.0224 270 SER A CA 2138 C C . SER A 270 ? 0.6487 0.8420 0.7479 0.0206 0.0739 -0.0221 270 SER A C 2139 O O . SER A 270 ? 0.6260 0.8280 0.7268 0.0148 0.0769 -0.0207 270 SER A O 2140 C CB . SER A 270 ? 0.5678 0.7388 0.6699 0.0093 0.0672 -0.0206 270 SER A CB 2141 O OG . SER A 270 ? 0.5422 0.7279 0.6513 0.0130 0.0667 -0.0207 270 SER A OG 2142 N N . ASP A 271 ? 0.7141 0.9191 0.8158 0.0297 0.0741 -0.0234 271 ASP A N 2143 C CA . ASP A 271 ? 0.7462 0.9778 0.8541 0.0329 0.0778 -0.0230 271 ASP A CA 2144 C C . ASP A 271 ? 0.7054 0.9560 0.8251 0.0284 0.0768 -0.0213 271 ASP A C 2145 O O . ASP A 271 ? 0.7745 1.0485 0.8999 0.0329 0.0790 -0.0212 271 ASP A O 2146 C CB . ASP A 271 ? 0.7927 1.0271 0.8941 0.0481 0.0794 -0.0257 271 ASP A CB 2147 C CG . ASP A 271 ? 0.9282 1.1533 1.0268 0.0570 0.0758 -0.0274 271 ASP A CG 2148 O OD1 . ASP A 271 ? 1.0593 1.2773 1.1486 0.0694 0.0760 -0.0299 271 ASP A OD1 2149 O OD2 . ASP A 271 ? 0.9088 1.1328 1.0134 0.0519 0.0726 -0.0262 271 ASP A OD2 2150 N N . LEU A 272 ? 0.6125 0.8533 0.7353 0.0196 0.0735 -0.0200 272 LEU A N 2151 C CA . LEU A 272 ? 0.6354 0.8915 0.7682 0.0141 0.0720 -0.0184 272 LEU A CA 2152 C C . LEU A 272 ? 0.6150 0.8907 0.7547 0.0036 0.0747 -0.0159 272 LEU A C 2153 O O . LEU A 272 ? 0.5988 0.8684 0.7352 -0.0034 0.0764 -0.0148 272 LEU A O 2154 C CB . LEU A 272 ? 0.5363 0.7748 0.6692 0.0078 0.0677 -0.0180 272 LEU A CB 2155 C CG . LEU A 272 ? 0.5993 0.8228 0.7279 0.0160 0.0643 -0.0198 272 LEU A CG 2156 C CD1 . LEU A 272 ? 0.5131 0.7205 0.6418 0.0083 0.0606 -0.0191 272 LEU A CD1 2157 C CD2 . LEU A 272 ? 0.5453 0.7856 0.6789 0.0241 0.0637 -0.0204 272 LEU A CD2 2158 N N . PRO A 273 ? 0.5702 0.8694 0.7189 0.0021 0.0750 -0.0149 273 PRO A N 2159 C CA . PRO A 273 ? 0.5208 0.8400 0.6758 -0.0090 0.0772 -0.0122 273 PRO A CA 2160 C C . PRO A 273 ? 0.5561 0.8629 0.7108 -0.0236 0.0751 -0.0101 273 PRO A C 2161 O O . PRO A 273 ? 0.6633 0.9573 0.8183 -0.0258 0.0714 -0.0104 273 PRO A O 2162 C CB . PRO A 273 ? 0.6136 0.9590 0.7779 -0.0063 0.0768 -0.0118 273 PRO A CB 2163 C CG . PRO A 273 ? 0.5920 0.9248 0.7552 0.0021 0.0731 -0.0137 273 PRO A CG 2164 C CD . PRO A 273 ? 0.6033 0.9129 0.7562 0.0112 0.0732 -0.0160 273 PRO A CD 2165 N N . ILE A 274 ? 0.5844 0.8948 0.7378 -0.0330 0.0776 -0.0081 274 ILE A N 2166 C CA . ILE A 274 ? 0.5795 0.8816 0.7321 -0.0475 0.0759 -0.0057 274 ILE A CA 2167 C C . ILE A 274 ? 0.6825 1.0090 0.8430 -0.0563 0.0762 -0.0035 274 ILE A C 2168 O O . ILE A 274 ? 0.7765 1.1260 0.9404 -0.0573 0.0797 -0.0023 274 ILE A O 2169 C CB . ILE A 274 ? 0.5500 0.8416 0.6956 -0.0536 0.0782 -0.0043 274 ILE A CB 2170 C CG1 . ILE A 274 ? 0.5948 0.8648 0.7326 -0.0448 0.0781 -0.0065 274 ILE A CG1 2171 C CG2 . ILE A 274 ? 0.4795 0.7600 0.6225 -0.0679 0.0762 -0.0019 274 ILE A CG2 2172 C CD1 . ILE A 274 ? 0.5034 0.7588 0.6335 -0.0511 0.0792 -0.0051 274 ILE A CD1 2173 N N . GLU A 275 ? 0.6939 1.0161 0.8568 -0.0630 0.0726 -0.0030 275 GLU A N 2174 C CA . GLU A 275 ? 0.6548 0.9998 0.8249 -0.0716 0.0722 -0.0011 275 GLU A CA 2175 C C . GLU A 275 ? 0.7348 1.0686 0.9012 -0.0874 0.0700 0.0012 275 GLU A C 2176 O O . GLU A 275 ? 0.7435 1.0516 0.9021 -0.0902 0.0687 0.0011 275 GLU A O 2177 C CB . GLU A 275 ? 0.6705 1.0251 0.8473 -0.0643 0.0696 -0.0026 275 GLU A CB 2178 C CG . GLU A 275 ? 0.6587 1.0231 0.8376 -0.0479 0.0714 -0.0048 275 GLU A CG 2179 C CD . GLU A 275 ? 0.7398 1.1138 0.9247 -0.0405 0.0687 -0.0061 275 GLU A CD 2180 O OE1 . GLU A 275 ? 0.7876 1.1617 0.9756 -0.0484 0.0654 -0.0052 275 GLU A OE1 2181 O OE2 . GLU A 275 ? 0.6941 1.0747 0.8797 -0.0265 0.0696 -0.0079 275 GLU A OE2 2182 N N . ASN A 276 ? 0.8134 1.1666 0.9846 -0.0976 0.0696 0.0032 276 ASN A N 2183 C CA . ASN A 276 ? 0.9132 1.2563 1.0794 -0.1134 0.0676 0.0055 276 ASN A CA 2184 C C . ASN A 276 ? 0.8917 1.2226 1.0579 -0.1159 0.0629 0.0045 276 ASN A C 2185 O O . ASN A 276 ? 0.8630 1.2100 1.0344 -0.1220 0.0611 0.0054 276 ASN A O 2186 C CB . ASN A 276 ? 0.9598 1.3292 1.1295 -0.1253 0.0695 0.0086 276 ASN A CB 2187 C CG . ASN A 276 ? 1.0437 1.3992 1.2048 -0.1422 0.0682 0.0113 276 ASN A CG 2188 O OD1 . ASN A 276 ? 1.0133 1.3439 1.1650 -0.1439 0.0682 0.0115 276 ASN A OD1 2189 N ND2 . ASN A 276 ? 0.9984 1.3694 1.1619 -0.1549 0.0667 0.0135 276 ASN A ND2 2190 N N . CYS A 277 ? 0.8856 1.1891 1.0458 -0.1112 0.0607 0.0028 277 CYS A N 2191 C CA . CYS A 277 ? 0.8504 1.1403 1.0098 -0.1119 0.0564 0.0015 277 CYS A CA 2192 C C . CYS A 277 ? 0.8263 1.0846 0.9760 -0.1123 0.0548 0.0008 277 CYS A C 2193 O O . CYS A 277 ? 0.8084 1.0561 0.9528 -0.1104 0.0568 0.0011 277 CYS A O 2194 C CB . CYS A 277 ? 0.7917 1.0895 0.9582 -0.0991 0.0554 -0.0009 277 CYS A CB 2195 S SG . CYS A 277 ? 0.9838 1.2700 1.1483 -0.0829 0.0573 -0.0032 277 CYS A SG 2196 N N . ASP A 278 ? 0.8554 1.0996 1.0025 -0.1146 0.0510 -0.0001 278 ASP A N 2197 C CA . ASP A 278 ? 0.8157 1.0316 0.9539 -0.1139 0.0493 -0.0008 278 ASP A CA 2198 C C . ASP A 278 ? 0.8174 1.0233 0.9573 -0.1036 0.0471 -0.0034 278 ASP A C 2199 O O . ASP A 278 ? 0.8380 1.0553 0.9845 -0.0996 0.0458 -0.0044 278 ASP A O 2200 C CB . ASP A 278 ? 0.7659 0.9690 0.8964 -0.1264 0.0467 0.0005 278 ASP A CB 2201 C CG . ASP A 278 ? 0.9806 1.1765 1.1030 -0.1348 0.0485 0.0028 278 ASP A CG 2202 O OD1 . ASP A 278 ? 1.0629 1.2664 1.1869 -0.1312 0.0519 0.0035 278 ASP A OD1 2203 O OD2 . ASP A 278 ? 1.0434 1.2253 1.1570 -0.1448 0.0464 0.0040 278 ASP A OD2 2204 N N . ALA A 279 ? 0.6518 0.8367 0.7853 -0.0994 0.0467 -0.0042 279 ALA A N 2205 C CA . ALA A 279 ? 0.5808 0.7554 0.7148 -0.0904 0.0447 -0.0063 279 ALA A CA 2206 C C . ALA A 279 ? 0.5884 0.7392 0.7138 -0.0912 0.0431 -0.0065 279 ALA A C 2207 O O . ALA A 279 ? 0.6207 0.7622 0.7394 -0.0962 0.0441 -0.0052 279 ALA A O 2208 C CB . ALA A 279 ? 0.5356 0.7162 0.6733 -0.0795 0.0467 -0.0074 279 ALA A CB 2209 N N . THR A 280 ? 0.6344 0.7757 0.7595 -0.0862 0.0407 -0.0082 280 THR A N 2210 C CA . THR A 280 ? 0.5973 0.7182 0.7150 -0.0847 0.0393 -0.0086 280 THR A CA 2211 C C . THR A 280 ? 0.5532 0.6702 0.6719 -0.0749 0.0399 -0.0097 280 THR A C 2212 O O . THR A 280 ? 0.5415 0.6449 0.6547 -0.0728 0.0396 -0.0097 280 THR A O 2213 C CB . THR A 280 ? 0.5851 0.6971 0.7002 -0.0870 0.0360 -0.0095 280 THR A CB 2214 O OG1 . THR A 280 ? 0.7290 0.8526 0.8514 -0.0838 0.0348 -0.0106 280 THR A OG1 2215 C CG2 . THR A 280 ? 0.5580 0.6667 0.6679 -0.0975 0.0351 -0.0083 280 THR A CG2 2216 N N . CYS A 281 ? 0.5145 0.6438 0.6397 -0.0692 0.0405 -0.0106 281 CYS A N 2217 C CA . CYS A 281 ? 0.4937 0.6190 0.6189 -0.0605 0.0407 -0.0117 281 CYS A CA 2218 C C . CYS A 281 ? 0.5230 0.6606 0.6517 -0.0557 0.0432 -0.0118 281 CYS A C 2219 O O . CYS A 281 ? 0.5394 0.6912 0.6738 -0.0538 0.0434 -0.0121 281 CYS A O 2220 C CB . CYS A 281 ? 0.5088 0.6322 0.6362 -0.0565 0.0379 -0.0130 281 CYS A CB 2221 S SG . CYS A 281 ? 0.5808 0.7009 0.7079 -0.0467 0.0378 -0.0141 281 CYS A SG 2222 N N . GLN A 282 ? 0.5004 0.6325 0.6252 -0.0533 0.0451 -0.0116 282 GLN A N 2223 C CA . GLN A 282 ? 0.4676 0.6100 0.5941 -0.0483 0.0478 -0.0119 282 GLN A CA 2224 C C . GLN A 282 ? 0.4593 0.5921 0.5817 -0.0406 0.0477 -0.0131 282 GLN A C 2225 O O . GLN A 282 ? 0.4427 0.5638 0.5596 -0.0412 0.0479 -0.0128 282 GLN A O 2226 C CB . GLN A 282 ? 0.4581 0.6051 0.5829 -0.0534 0.0507 -0.0104 282 GLN A CB 2227 C CG . GLN A 282 ? 0.4507 0.6092 0.5767 -0.0481 0.0539 -0.0108 282 GLN A CG 2228 C CD . GLN A 282 ? 0.4943 0.6729 0.6276 -0.0465 0.0547 -0.0109 282 GLN A CD 2229 O OE1 . GLN A 282 ? 0.5653 0.7550 0.7022 -0.0538 0.0550 -0.0096 282 GLN A OE1 2230 N NE2 . GLN A 282 ? 0.4743 0.6576 0.6091 -0.0370 0.0548 -0.0125 282 GLN A NE2 2231 N N . THR A 283 ? 0.4247 0.5619 0.5490 -0.0336 0.0471 -0.0144 283 THR A N 2232 C CA . THR A 283 ? 0.4598 0.5873 0.5789 -0.0267 0.0469 -0.0156 283 THR A CA 2233 C C . THR A 283 ? 0.4988 0.6343 0.6168 -0.0218 0.0499 -0.0161 283 THR A C 2234 O O . THR A 283 ? 0.4954 0.6464 0.6182 -0.0226 0.0520 -0.0156 283 THR A O 2235 C CB . THR A 283 ? 0.4585 0.5822 0.5775 -0.0215 0.0442 -0.0167 283 THR A CB 2236 O OG1 . THR A 283 ? 0.4881 0.6237 0.6102 -0.0154 0.0450 -0.0174 283 THR A OG1 2237 C CG2 . THR A 283 ? 0.4585 0.5805 0.5807 -0.0262 0.0416 -0.0162 283 THR A CG2 2238 N N . ILE A 284 ? 0.4486 0.5739 0.5600 -0.0168 0.0502 -0.0170 284 ILE A N 2239 C CA . ILE A 284 ? 0.4576 0.5878 0.5660 -0.0115 0.0530 -0.0178 284 ILE A CA 2240 C C . ILE A 284 ? 0.4921 0.6353 0.6039 -0.0042 0.0537 -0.0188 284 ILE A C 2241 O O . ILE A 284 ? 0.5447 0.6983 0.6564 -0.0001 0.0566 -0.0193 284 ILE A O 2242 C CB . ILE A 284 ? 0.5270 0.6413 0.6261 -0.0076 0.0525 -0.0189 284 ILE A CB 2243 C CG1 . ILE A 284 ? 0.4813 0.5995 0.5762 -0.0029 0.0557 -0.0197 284 ILE A CG1 2244 C CG2 . ILE A 284 ? 0.4293 0.5340 0.5249 -0.0023 0.0494 -0.0201 284 ILE A CG2 2245 C CD1 . ILE A 284 ? 0.4339 0.5361 0.5188 -0.0004 0.0552 -0.0207 284 ILE A CD1 2246 N N . THR A 285 ? 0.5950 0.7385 0.7095 -0.0022 0.0510 -0.0192 285 THR A N 2247 C CA . THR A 285 ? 0.5842 0.7394 0.7013 0.0057 0.0512 -0.0201 285 THR A CA 2248 C C . THR A 285 ? 0.5309 0.7034 0.6577 0.0019 0.0508 -0.0191 285 THR A C 2249 O O . THR A 285 ? 0.5468 0.7300 0.6766 0.0080 0.0504 -0.0196 285 THR A O 2250 C CB . THR A 285 ? 0.6200 0.7620 0.7310 0.0127 0.0482 -0.0214 285 THR A CB 2251 O OG1 . THR A 285 ? 0.6782 0.8127 0.7911 0.0074 0.0451 -0.0207 285 THR A OG1 2252 C CG2 . THR A 285 ? 0.6128 0.7376 0.7130 0.0164 0.0483 -0.0225 285 THR A CG2 2253 N N . GLY A 286 ? 0.4163 0.5911 0.5471 -0.0082 0.0509 -0.0176 286 GLY A N 2254 C CA . GLY A 286 ? 0.4660 0.6570 0.6050 -0.0133 0.0506 -0.0165 286 GLY A CA 2255 C C . GLY A 286 ? 0.4796 0.6637 0.6199 -0.0233 0.0485 -0.0154 286 GLY A C 2256 O O . GLY A 286 ? 0.4345 0.6014 0.5700 -0.0250 0.0470 -0.0155 286 GLY A O 2257 N N . VAL A 287 ? 0.4867 0.6848 0.6332 -0.0297 0.0485 -0.0142 287 VAL A N 2258 C CA . VAL A 287 ? 0.4944 0.6867 0.6415 -0.0389 0.0463 -0.0134 287 VAL A CA 2259 C C . VAL A 287 ? 0.5221 0.7093 0.6702 -0.0365 0.0429 -0.0142 287 VAL A C 2260 O O . VAL A 287 ? 0.5209 0.7173 0.6723 -0.0301 0.0421 -0.0149 287 VAL A O 2261 C CB . VAL A 287 ? 0.5518 0.7608 0.7038 -0.0476 0.0473 -0.0118 287 VAL A CB 2262 C CG1 . VAL A 287 ? 0.4086 0.6095 0.5594 -0.0571 0.0448 -0.0111 287 VAL A CG1 2263 C CG2 . VAL A 287 ? 0.5895 0.8037 0.7399 -0.0508 0.0508 -0.0107 287 VAL A CG2 2264 N N . LEU A 288 ? 0.5403 0.7130 0.6852 -0.0412 0.0407 -0.0142 288 LEU A N 2265 C CA . LEU A 288 ? 0.6416 0.8106 0.7876 -0.0407 0.0375 -0.0148 288 LEU A CA 2266 C C . LEU A 288 ? 0.5828 0.7542 0.7304 -0.0500 0.0361 -0.0141 288 LEU A C 2267 O O . LEU A 288 ? 0.6101 0.7724 0.7537 -0.0564 0.0364 -0.0134 288 LEU A O 2268 C CB . LEU A 288 ? 0.6451 0.7957 0.7855 -0.0378 0.0358 -0.0155 288 LEU A CB 2269 C CG . LEU A 288 ? 0.6004 0.7442 0.7369 -0.0299 0.0365 -0.0162 288 LEU A CG 2270 C CD1 . LEU A 288 ? 0.5318 0.6598 0.6635 -0.0291 0.0343 -0.0166 288 LEU A CD1 2271 C CD2 . LEU A 288 ? 0.5861 0.7399 0.7251 -0.0223 0.0364 -0.0169 288 LEU A CD2 2272 N N . ARG A 289 ? 0.5579 0.7408 0.7104 -0.0506 0.0344 -0.0142 289 ARG A N 2273 C CA . ARG A 289 ? 0.6296 0.8129 0.7824 -0.0595 0.0326 -0.0137 289 ARG A CA 2274 C C . ARG A 289 ? 0.6722 0.8482 0.8243 -0.0575 0.0293 -0.0148 289 ARG A C 2275 O O . ARG A 289 ? 0.6328 0.8193 0.7894 -0.0543 0.0279 -0.0151 289 ARG A O 2276 C CB . ARG A 289 ? 0.6791 0.8833 0.8379 -0.0642 0.0332 -0.0127 289 ARG A CB 2277 C CG . ARG A 289 ? 0.7064 0.9112 0.8628 -0.0748 0.0344 -0.0113 289 ARG A CG 2278 C CD . ARG A 289 ? 0.7266 0.9551 0.8892 -0.0793 0.0356 -0.0100 289 ARG A CD 2279 N NE . ARG A 289 ? 0.6645 0.9030 0.8290 -0.0757 0.0393 -0.0094 289 ARG A NE 2280 C CZ . ARG A 289 ? 0.7205 0.9555 0.8812 -0.0815 0.0416 -0.0081 289 ARG A CZ 2281 N NH1 . ARG A 289 ? 0.5815 0.8019 0.7356 -0.0908 0.0404 -0.0074 289 ARG A NH1 2282 N NH2 . ARG A 289 ? 0.6919 0.9370 0.8543 -0.0776 0.0450 -0.0076 289 ARG A NH2 2283 N N . THR A 290 ? 0.6643 0.8228 0.8107 -0.0588 0.0282 -0.0152 290 THR A N 2284 C CA . THR A 290 ? 0.5995 0.7505 0.7446 -0.0565 0.0254 -0.0162 290 THR A CA 2285 C C . THR A 290 ? 0.5930 0.7294 0.7322 -0.0611 0.0239 -0.0166 290 THR A C 2286 O O . THR A 290 ? 0.6183 0.7461 0.7530 -0.0648 0.0250 -0.0162 290 THR A O 2287 C CB . THR A 290 ? 0.6080 0.7522 0.7516 -0.0480 0.0253 -0.0167 290 THR A CB 2288 O OG1 . THR A 290 ? 0.5968 0.7359 0.7377 -0.0458 0.0277 -0.0164 290 THR A OG1 2289 C CG2 . THR A 290 ? 0.5740 0.7293 0.7219 -0.0422 0.0246 -0.0169 290 THR A CG2 2290 N N . ASN A 291 ? 0.6909 0.8246 0.8298 -0.0599 0.0214 -0.0174 291 ASN A N 2291 C CA . ASN A 291 ? 0.7167 0.8365 0.8498 -0.0616 0.0198 -0.0182 291 ASN A CA 2292 C C . ASN A 291 ? 0.6597 0.7725 0.7914 -0.0547 0.0194 -0.0186 291 ASN A C 2293 O O . ASN A 291 ? 0.6856 0.7879 0.8127 -0.0544 0.0185 -0.0191 291 ASN A O 2294 C CB . ASN A 291 ? 0.7121 0.8344 0.8453 -0.0658 0.0173 -0.0189 291 ASN A CB 2295 C CG . ASN A 291 ? 0.8132 0.9460 0.9518 -0.0616 0.0158 -0.0191 291 ASN A CG 2296 O OD1 . ASN A 291 ? 0.7885 0.9325 0.9322 -0.0580 0.0167 -0.0185 291 ASN A OD1 2297 N ND2 . ASN A 291 ? 0.9217 1.0504 1.0584 -0.0614 0.0134 -0.0200 291 ASN A ND2 2298 N N . LYS A 292 ? 0.6027 0.7218 0.7379 -0.0492 0.0199 -0.0183 292 LYS A N 2299 C CA . LYS A 292 ? 0.5251 0.6382 0.6584 -0.0437 0.0191 -0.0184 292 LYS A CA 2300 C C . LYS A 292 ? 0.4847 0.5871 0.6134 -0.0425 0.0203 -0.0182 292 LYS A C 2301 O O . LYS A 292 ? 0.5508 0.6514 0.6783 -0.0444 0.0221 -0.0178 292 LYS A O 2302 C CB . LYS A 292 ? 0.5345 0.6552 0.6709 -0.0381 0.0191 -0.0182 292 LYS A CB 2303 C CG . LYS A 292 ? 0.5177 0.6468 0.6574 -0.0375 0.0169 -0.0184 292 LYS A CG 2304 C CD . LYS A 292 ? 0.5773 0.7161 0.7202 -0.0319 0.0170 -0.0181 292 LYS A CD 2305 C CE . LYS A 292 ? 0.6039 0.7532 0.7507 -0.0321 0.0148 -0.0182 292 LYS A CE 2306 N NZ . LYS A 292 ? 0.7349 0.8958 0.8850 -0.0259 0.0150 -0.0178 292 LYS A NZ 2307 N N . THR A 293 ? 0.4665 0.5626 0.5925 -0.0397 0.0191 -0.0183 293 THR A N 2308 C CA . THR A 293 ? 0.4606 0.5475 0.5821 -0.0392 0.0195 -0.0180 293 THR A CA 2309 C C . THR A 293 ? 0.4401 0.5249 0.5601 -0.0359 0.0207 -0.0174 293 THR A C 2310 O O . THR A 293 ? 0.3400 0.4193 0.4569 -0.0361 0.0217 -0.0170 293 THR A O 2311 C CB . THR A 293 ? 0.4441 0.5270 0.5632 -0.0385 0.0176 -0.0183 293 THR A CB 2312 O OG1 . THR A 293 ? 0.5609 0.6454 0.6807 -0.0412 0.0164 -0.0191 293 THR A OG1 2313 C CG2 . THR A 293 ? 0.4522 0.5280 0.5670 -0.0382 0.0180 -0.0180 293 THR A CG2 2314 N N . PHE A 294 ? 0.3766 0.4653 0.4980 -0.0325 0.0203 -0.0174 294 PHE A N 2315 C CA . PHE A 294 ? 0.4137 0.4989 0.5322 -0.0289 0.0210 -0.0170 294 PHE A CA 2316 C C . PHE A 294 ? 0.4253 0.5178 0.5464 -0.0263 0.0225 -0.0172 294 PHE A C 2317 O O . PHE A 294 ? 0.3982 0.4999 0.5240 -0.0269 0.0224 -0.0175 294 PHE A O 2318 C CB . PHE A 294 ? 0.4175 0.4980 0.5325 -0.0262 0.0189 -0.0167 294 PHE A CB 2319 C CG . PHE A 294 ? 0.4278 0.5034 0.5403 -0.0286 0.0176 -0.0163 294 PHE A CG 2320 C CD1 . PHE A 294 ? 0.3481 0.4177 0.4566 -0.0297 0.0180 -0.0158 294 PHE A CD1 2321 C CD2 . PHE A 294 ? 0.4182 0.4961 0.5322 -0.0296 0.0158 -0.0165 294 PHE A CD2 2322 C CE1 . PHE A 294 ? 0.3441 0.4115 0.4507 -0.0315 0.0169 -0.0153 294 PHE A CE1 2323 C CE2 . PHE A 294 ? 0.3881 0.4628 0.4996 -0.0313 0.0148 -0.0162 294 PHE A CE2 2324 C CZ . PHE A 294 ? 0.3642 0.4343 0.4723 -0.0321 0.0154 -0.0156 294 PHE A CZ 2325 N N . GLN A 295 ? 0.3926 0.4817 0.5105 -0.0232 0.0237 -0.0172 295 GLN A N 2326 C CA . GLN A 295 ? 0.3994 0.4952 0.5187 -0.0191 0.0251 -0.0175 295 GLN A CA 2327 C C . GLN A 295 ? 0.4434 0.5308 0.5561 -0.0143 0.0252 -0.0177 295 GLN A C 2328 O O . GLN A 295 ? 0.4364 0.5144 0.5442 -0.0160 0.0252 -0.0174 295 GLN A O 2329 C CB . GLN A 295 ? 0.3914 0.4947 0.5144 -0.0220 0.0278 -0.0175 295 GLN A CB 2330 C CG . GLN A 295 ? 0.4063 0.5022 0.5259 -0.0252 0.0291 -0.0171 295 GLN A CG 2331 C CD . GLN A 295 ? 0.4039 0.4970 0.5196 -0.0216 0.0310 -0.0173 295 GLN A CD 2332 O OE1 . GLN A 295 ? 0.4280 0.5248 0.5433 -0.0164 0.0315 -0.0178 295 GLN A OE1 2333 N NE2 . GLN A 295 ? 0.3558 0.4423 0.4682 -0.0241 0.0320 -0.0169 295 GLN A NE2 2334 N N . ASN A 296 ? 0.3852 0.4755 0.4968 -0.0083 0.0251 -0.0182 296 ASN A N 2335 C CA . ASN A 296 ? 0.3856 0.4663 0.4891 -0.0033 0.0251 -0.0186 296 ASN A CA 2336 C C . ASN A 296 ? 0.4279 0.5144 0.5314 0.0012 0.0278 -0.0193 296 ASN A C 2337 O O . ASN A 296 ? 0.4213 0.5030 0.5186 0.0078 0.0278 -0.0200 296 ASN A O 2338 C CB . ASN A 296 ? 0.3697 0.4450 0.4686 0.0014 0.0224 -0.0185 296 ASN A CB 2339 C CG . ASN A 296 ? 0.4286 0.5154 0.5318 0.0069 0.0224 -0.0189 296 ASN A CG 2340 O OD1 . ASN A 296 ? 0.4325 0.5333 0.5434 0.0062 0.0243 -0.0191 296 ASN A OD1 2341 N ND2 . ASN A 296 ? 0.4280 0.5096 0.5262 0.0121 0.0200 -0.0188 296 ASN A ND2 2342 N N . VAL A 297 ? 0.4277 0.5242 0.5373 -0.0024 0.0302 -0.0192 297 VAL A N 2343 C CA . VAL A 297 ? 0.4538 0.5588 0.5644 0.0013 0.0331 -0.0197 297 VAL A CA 2344 C C . VAL A 297 ? 0.4287 0.5248 0.5332 0.0010 0.0349 -0.0200 297 VAL A C 2345 O O . VAL A 297 ? 0.4367 0.5300 0.5357 0.0072 0.0359 -0.0209 297 VAL A O 2346 C CB . VAL A 297 ? 0.4787 0.5999 0.5985 -0.0032 0.0349 -0.0191 297 VAL A CB 2347 C CG1 . VAL A 297 ? 0.4311 0.5619 0.5518 -0.0004 0.0382 -0.0194 297 VAL A CG1 2348 C CG2 . VAL A 297 ? 0.4751 0.6068 0.6007 -0.0024 0.0332 -0.0190 297 VAL A CG2 2349 N N . SER A 298 ? 0.4015 0.4928 0.5062 -0.0057 0.0351 -0.0192 298 SER A N 2350 C CA . SER A 298 ? 0.4297 0.5132 0.5289 -0.0066 0.0365 -0.0193 298 SER A CA 2351 C C . SER A 298 ? 0.4283 0.5044 0.5266 -0.0131 0.0356 -0.0183 298 SER A C 2352 O O . SER A 298 ? 0.4050 0.4853 0.5084 -0.0178 0.0353 -0.0176 298 SER A O 2353 C CB . SER A 298 ? 0.4787 0.5724 0.5806 -0.0063 0.0399 -0.0194 298 SER A CB 2354 O OG . SER A 298 ? 0.4549 0.5410 0.5512 -0.0073 0.0413 -0.0194 298 SER A OG 2355 N N . PRO A 299 ? 0.4223 0.4871 0.5132 -0.0131 0.0350 -0.0184 299 PRO A N 2356 C CA . PRO A 299 ? 0.4116 0.4707 0.5010 -0.0183 0.0345 -0.0174 299 PRO A CA 2357 C C . PRO A 299 ? 0.4640 0.5270 0.5550 -0.0211 0.0371 -0.0169 299 PRO A C 2358 O O . PRO A 299 ? 0.5208 0.5806 0.6114 -0.0251 0.0367 -0.0160 299 PRO A O 2359 C CB . PRO A 299 ? 0.4467 0.4942 0.5272 -0.0170 0.0331 -0.0177 299 PRO A CB 2360 C CG . PRO A 299 ? 0.3926 0.4395 0.4690 -0.0111 0.0344 -0.0190 299 PRO A CG 2361 C CD . PRO A 299 ? 0.4023 0.4590 0.4850 -0.0079 0.0347 -0.0194 299 PRO A CD 2362 N N . LEU A 300 ? 0.5010 0.5712 0.5935 -0.0187 0.0396 -0.0174 300 LEU A N 2363 C CA . LEU A 300 ? 0.4746 0.5480 0.5672 -0.0212 0.0422 -0.0168 300 LEU A CA 2364 C C . LEU A 300 ? 0.4652 0.5499 0.5648 -0.0246 0.0437 -0.0160 300 LEU A C 2365 O O . LEU A 300 ? 0.4886 0.5837 0.5923 -0.0223 0.0447 -0.0165 300 LEU A O 2366 C CB . LEU A 300 ? 0.5036 0.5770 0.5915 -0.0164 0.0443 -0.0178 300 LEU A CB 2367 C CG . LEU A 300 ? 0.6302 0.6984 0.7128 -0.0180 0.0458 -0.0174 300 LEU A CG 2368 C CD1 . LEU A 300 ? 0.5925 0.6503 0.6716 -0.0215 0.0434 -0.0167 300 LEU A CD1 2369 C CD2 . LEU A 300 ? 0.6861 0.7509 0.7620 -0.0121 0.0469 -0.0190 300 LEU A CD2 2370 N N . TRP A 301 ? 0.3441 0.4270 0.4444 -0.0302 0.0436 -0.0148 301 TRP A N 2371 C CA . TRP A 301 ? 0.4077 0.4992 0.5130 -0.0347 0.0445 -0.0140 301 TRP A CA 2372 C C . TRP A 301 ? 0.4581 0.5451 0.5610 -0.0404 0.0452 -0.0126 301 TRP A C 2373 O O . TRP A 301 ? 0.4473 0.5247 0.5453 -0.0406 0.0445 -0.0122 301 TRP A O 2374 C CB . TRP A 301 ? 0.4097 0.5034 0.5193 -0.0356 0.0422 -0.0143 301 TRP A CB 2375 C CG . TRP A 301 ? 0.4208 0.5045 0.5283 -0.0378 0.0397 -0.0140 301 TRP A CG 2376 C CD1 . TRP A 301 ? 0.4131 0.4924 0.5191 -0.0426 0.0393 -0.0131 301 TRP A CD1 2377 C CD2 . TRP A 301 ? 0.3621 0.4394 0.4679 -0.0349 0.0374 -0.0146 301 TRP A CD2 2378 N NE1 . TRP A 301 ? 0.4591 0.5307 0.5632 -0.0420 0.0370 -0.0132 301 TRP A NE1 2379 C CE2 . TRP A 301 ? 0.4162 0.4873 0.5205 -0.0379 0.0358 -0.0140 301 TRP A CE2 2380 C CE3 . TRP A 301 ? 0.3759 0.4518 0.4805 -0.0303 0.0363 -0.0154 301 TRP A CE3 2381 C CZ2 . TRP A 301 ? 0.3909 0.4567 0.4936 -0.0365 0.0335 -0.0142 301 TRP A CZ2 2382 C CZ3 . TRP A 301 ? 0.4568 0.5259 0.5591 -0.0298 0.0338 -0.0155 301 TRP A CZ3 2383 C CH2 . TRP A 301 ? 0.4141 0.4794 0.5161 -0.0330 0.0326 -0.0149 301 TRP A CH2 2384 N N . ILE A 302 ? 0.4954 0.5897 0.6013 -0.0452 0.0462 -0.0117 302 ILE A N 2385 C CA . ILE A 302 ? 0.4985 0.5874 0.6012 -0.0514 0.0464 -0.0102 302 ILE A CA 2386 C C . ILE A 302 ? 0.4965 0.5882 0.6023 -0.0559 0.0448 -0.0100 302 ILE A C 2387 O O . ILE A 302 ? 0.5189 0.6208 0.6303 -0.0549 0.0446 -0.0107 302 ILE A O 2388 C CB . ILE A 302 ? 0.5693 0.6634 0.6703 -0.0544 0.0495 -0.0089 302 ILE A CB 2389 C CG1 . ILE A 302 ? 0.6193 0.7020 0.7135 -0.0584 0.0493 -0.0074 302 ILE A CG1 2390 C CG2 . ILE A 302 ? 0.5280 0.6359 0.6339 -0.0588 0.0508 -0.0083 302 ILE A CG2 2391 C CD1 . ILE A 302 ? 0.7822 0.8544 0.8720 -0.0541 0.0482 -0.0078 302 ILE A CD1 2392 N N . GLY A 303 ? 0.6077 0.6899 0.7092 -0.0603 0.0435 -0.0091 303 GLY A N 2393 C CA . GLY A 303 ? 0.5963 0.6784 0.6990 -0.0644 0.0416 -0.0092 303 GLY A CA 2394 C C . GLY A 303 ? 0.6392 0.7147 0.7419 -0.0607 0.0389 -0.0104 303 GLY A C 2395 O O . GLY A 303 ? 0.6933 0.7631 0.7942 -0.0561 0.0384 -0.0108 303 GLY A O 2396 N N . GLU A 304 ? 0.6762 0.7534 0.7809 -0.0631 0.0371 -0.0110 304 GLU A N 2397 C CA . GLU A 304 ? 0.6892 0.7609 0.7937 -0.0600 0.0346 -0.0121 304 GLU A CA 2398 C C . GLU A 304 ? 0.6089 0.6903 0.7200 -0.0567 0.0339 -0.0132 304 GLU A C 2399 O O . GLU A 304 ? 0.6193 0.7083 0.7341 -0.0594 0.0334 -0.0134 304 GLU A O 2400 C CB . GLU A 304 ? 0.7215 0.7855 0.8217 -0.0645 0.0328 -0.0121 304 GLU A CB 2401 C CG . GLU A 304 ? 0.8776 0.9295 0.9695 -0.0669 0.0331 -0.0110 304 GLU A CG 2402 C CD . GLU A 304 ? 1.1635 1.2037 1.2499 -0.0633 0.0312 -0.0116 304 GLU A CD 2403 O OE1 . GLU A 304 ? 1.1894 1.2290 1.2767 -0.0622 0.0293 -0.0128 304 GLU A OE1 2404 O OE2 . GLU A 304 ? 1.1686 1.2013 1.2499 -0.0612 0.0316 -0.0108 304 GLU A OE2 2405 N N . CYS A 305 ? 0.5428 0.6235 0.6546 -0.0510 0.0338 -0.0137 305 CYS A N 2406 C CA . CYS A 305 ? 0.5489 0.6372 0.6654 -0.0470 0.0332 -0.0146 305 CYS A CA 2407 C C . CYS A 305 ? 0.4668 0.5502 0.5827 -0.0444 0.0308 -0.0152 305 CYS A C 2408 O O . CYS A 305 ? 0.5390 0.6138 0.6510 -0.0445 0.0299 -0.0151 305 CYS A O 2409 C CB . CYS A 305 ? 0.5557 0.6467 0.6722 -0.0426 0.0350 -0.0146 305 CYS A CB 2410 S SG . CYS A 305 ? 0.6500 0.7525 0.7692 -0.0443 0.0381 -0.0140 305 CYS A SG 2411 N N . PRO A 306 ? 0.5036 0.5929 0.6231 -0.0418 0.0297 -0.0159 306 PRO A N 2412 C CA . PRO A 306 ? 0.4497 0.5348 0.5682 -0.0391 0.0275 -0.0163 306 PRO A CA 2413 C C . PRO A 306 ? 0.4358 0.5149 0.5506 -0.0355 0.0275 -0.0161 306 PRO A C 2414 O O . PRO A 306 ? 0.4602 0.5398 0.5739 -0.0337 0.0291 -0.0160 306 PRO A O 2415 C CB . PRO A 306 ? 0.4580 0.5514 0.5808 -0.0374 0.0265 -0.0168 306 PRO A CB 2416 C CG . PRO A 306 ? 0.4849 0.5878 0.6115 -0.0405 0.0278 -0.0166 306 PRO A CG 2417 C CD . PRO A 306 ? 0.4515 0.5527 0.5762 -0.0419 0.0302 -0.0160 306 PRO A CD 2418 N N . LYS A 307 ? 0.4178 0.4917 0.5303 -0.0348 0.0257 -0.0161 307 LYS A N 2419 C CA . LYS A 307 ? 0.4181 0.4864 0.5264 -0.0326 0.0252 -0.0157 307 LYS A CA 2420 C C . LYS A 307 ? 0.4032 0.4723 0.5107 -0.0290 0.0252 -0.0160 307 LYS A C 2421 O O . LYS A 307 ? 0.4494 0.5225 0.5592 -0.0273 0.0242 -0.0164 307 LYS A O 2422 C CB . LYS A 307 ? 0.4445 0.5095 0.5510 -0.0332 0.0232 -0.0155 307 LYS A CB 2423 C CG . LYS A 307 ? 0.4442 0.5047 0.5463 -0.0320 0.0221 -0.0149 307 LYS A CG 2424 C CD . LYS A 307 ? 0.4554 0.5152 0.5562 -0.0333 0.0203 -0.0144 307 LYS A CD 2425 C CE . LYS A 307 ? 0.5182 0.5768 0.6176 -0.0345 0.0210 -0.0140 307 LYS A CE 2426 N NZ . LYS A 307 ? 0.5404 0.6008 0.6405 -0.0349 0.0201 -0.0141 307 LYS A NZ 2427 N N . TYR A 308 ? 0.3609 0.4256 0.4643 -0.0275 0.0261 -0.0159 308 TYR A N 2428 C CA . TYR A 308 ? 0.4186 0.4817 0.5191 -0.0232 0.0260 -0.0164 308 TYR A CA 2429 C C . TYR A 308 ? 0.3908 0.4465 0.4860 -0.0224 0.0235 -0.0160 308 TYR A C 2430 O O . TYR A 308 ? 0.3928 0.4436 0.4848 -0.0252 0.0225 -0.0153 308 TYR A O 2431 C CB . TYR A 308 ? 0.3804 0.4409 0.4773 -0.0219 0.0280 -0.0166 308 TYR A CB 2432 C CG . TYR A 308 ? 0.3983 0.4556 0.4905 -0.0167 0.0280 -0.0173 308 TYR A CG 2433 C CD1 . TYR A 308 ? 0.3831 0.4475 0.4784 -0.0124 0.0285 -0.0180 308 TYR A CD1 2434 C CD2 . TYR A 308 ? 0.4388 0.4857 0.5227 -0.0157 0.0272 -0.0174 308 TYR A CD2 2435 C CE1 . TYR A 308 ? 0.3836 0.4442 0.4735 -0.0064 0.0283 -0.0188 308 TYR A CE1 2436 C CE2 . TYR A 308 ? 0.4294 0.4709 0.5070 -0.0105 0.0269 -0.0182 308 TYR A CE2 2437 C CZ . TYR A 308 ? 0.4248 0.4728 0.5052 -0.0054 0.0275 -0.0190 308 TYR A CZ 2438 O OH . TYR A 308 ? 0.4945 0.5364 0.5676 0.0010 0.0272 -0.0199 308 TYR A OH 2439 N N . VAL A 309 ? 0.3965 0.4516 0.4901 -0.0186 0.0225 -0.0164 309 VAL A N 2440 C CA . VAL A 309 ? 0.4092 0.4575 0.4977 -0.0183 0.0198 -0.0159 309 VAL A CA 2441 C C . VAL A 309 ? 0.4182 0.4627 0.5020 -0.0126 0.0193 -0.0165 309 VAL A C 2442 O O . VAL A 309 ? 0.4607 0.5123 0.5482 -0.0086 0.0208 -0.0173 309 VAL A O 2443 C CB . VAL A 309 ? 0.4022 0.4558 0.4958 -0.0207 0.0185 -0.0155 309 VAL A CB 2444 C CG1 . VAL A 309 ? 0.3816 0.4359 0.4747 -0.0174 0.0167 -0.0155 309 VAL A CG1 2445 C CG2 . VAL A 309 ? 0.3217 0.3718 0.4131 -0.0251 0.0172 -0.0145 309 VAL A CG2 2446 N N . LYS A 310 ? 0.4517 0.4850 0.5264 -0.0119 0.0172 -0.0160 310 LYS A N 2447 C CA . LYS A 310 ? 0.4657 0.4926 0.5336 -0.0055 0.0165 -0.0167 310 LYS A CA 2448 C C . LYS A 310 ? 0.5252 0.5549 0.5945 -0.0021 0.0147 -0.0165 310 LYS A C 2449 O O . LYS A 310 ? 0.6354 0.6606 0.6992 0.0043 0.0140 -0.0170 310 LYS A O 2450 C CB . LYS A 310 ? 0.4131 0.4241 0.4682 -0.0063 0.0147 -0.0163 310 LYS A CB 2451 C CG . LYS A 310 ? 0.5617 0.5695 0.6146 -0.0108 0.0158 -0.0162 310 LYS A CG 2452 C CD . LYS A 310 ? 0.6894 0.6861 0.7319 -0.0074 0.0161 -0.0172 310 LYS A CD 2453 C CE . LYS A 310 ? 0.6967 0.6769 0.7257 -0.0088 0.0128 -0.0165 310 LYS A CE 2454 N NZ . LYS A 310 ? 0.8517 0.8197 0.8693 -0.0062 0.0131 -0.0177 310 LYS A NZ 2455 N N . SER A 311 ? 0.4394 0.4763 0.5155 -0.0059 0.0140 -0.0158 311 SER A N 2456 C CA . SER A 311 ? 0.5064 0.5454 0.5833 -0.0036 0.0119 -0.0154 311 SER A CA 2457 C C . SER A 311 ? 0.4503 0.4996 0.5326 0.0026 0.0128 -0.0163 311 SER A C 2458 O O . SER A 311 ? 0.5422 0.6020 0.6317 0.0027 0.0152 -0.0170 311 SER A O 2459 C CB . SER A 311 ? 0.4702 0.5150 0.5530 -0.0092 0.0110 -0.0146 311 SER A CB 2460 O OG . SER A 311 ? 0.5285 0.5680 0.6084 -0.0148 0.0109 -0.0139 311 SER A OG 2461 N N . GLU A 312 ? 0.5367 0.5837 0.6154 0.0074 0.0106 -0.0160 312 GLU A N 2462 C CA . GLU A 312 ? 0.5741 0.6331 0.6584 0.0133 0.0110 -0.0166 312 GLU A CA 2463 C C . GLU A 312 ? 0.5278 0.5997 0.6222 0.0091 0.0106 -0.0163 312 GLU A C 2464 O O . GLU A 312 ? 0.5460 0.6323 0.6488 0.0102 0.0119 -0.0168 312 GLU A O 2465 C CB . GLU A 312 ? 0.6083 0.6592 0.6838 0.0209 0.0085 -0.0163 312 GLU A CB 2466 C CG . GLU A 312 ? 0.7102 0.7481 0.7745 0.0268 0.0088 -0.0170 312 GLU A CG 2467 C CD . GLU A 312 ? 0.9072 0.9551 0.9760 0.0314 0.0121 -0.0184 312 GLU A CD 2468 O OE1 . GLU A 312 ? 0.9417 1.0077 1.0217 0.0319 0.0137 -0.0187 312 GLU A OE1 2469 O OE2 . GLU A 312 ? 1.0381 1.0760 1.0988 0.0340 0.0131 -0.0192 312 GLU A OE2 2470 N N . SER A 313 ? 0.5759 0.6428 0.6691 0.0039 0.0088 -0.0154 313 SER A N 2471 C CA . SER A 313 ? 0.5590 0.6356 0.6596 0.0001 0.0080 -0.0152 313 SER A CA 2472 C C . SER A 313 ? 0.4888 0.5604 0.5886 -0.0068 0.0074 -0.0146 313 SER A C 2473 O O . SER A 313 ? 0.5513 0.6119 0.6437 -0.0081 0.0063 -0.0138 313 SER A O 2474 C CB . SER A 313 ? 0.5474 0.6262 0.6469 0.0046 0.0054 -0.0147 313 SER A CB 2475 O OG . SER A 313 ? 0.5779 0.6670 0.6847 0.0010 0.0047 -0.0147 313 SER A OG 2476 N N . LEU A 314 ? 0.4167 0.4967 0.5237 -0.0111 0.0081 -0.0151 314 LEU A N 2477 C CA . LEU A 314 ? 0.4008 0.4780 0.5074 -0.0165 0.0076 -0.0147 314 LEU A CA 2478 C C . LEU A 314 ? 0.4032 0.4887 0.5151 -0.0184 0.0065 -0.0151 314 LEU A C 2479 O O . LEU A 314 ? 0.3781 0.4683 0.4944 -0.0219 0.0076 -0.0159 314 LEU A O 2480 C CB . LEU A 314 ? 0.3804 0.4563 0.4881 -0.0201 0.0098 -0.0151 314 LEU A CB 2481 C CG . LEU A 314 ? 0.4374 0.5045 0.5391 -0.0195 0.0106 -0.0147 314 LEU A CG 2482 C CD1 . LEU A 314 ? 0.3938 0.4611 0.4973 -0.0224 0.0128 -0.0150 314 LEU A CD1 2483 C CD2 . LEU A 314 ? 0.4061 0.4644 0.5006 -0.0210 0.0085 -0.0134 314 LEU A CD2 2484 N N . ARG A 315 ? 0.3864 0.4724 0.4966 -0.0160 0.0042 -0.0146 315 ARG A N 2485 C CA . ARG A 315 ? 0.3914 0.4852 0.5058 -0.0174 0.0028 -0.0149 315 ARG A CA 2486 C C . ARG A 315 ? 0.4033 0.4932 0.5150 -0.0212 0.0017 -0.0146 315 ARG A C 2487 O O . ARG A 315 ? 0.3848 0.4677 0.4906 -0.0208 0.0003 -0.0134 315 ARG A O 2488 C CB . ARG A 315 ? 0.4478 0.5455 0.5619 -0.0123 0.0008 -0.0145 315 ARG A CB 2489 C CG . ARG A 315 ? 0.3859 0.4951 0.5060 -0.0134 -0.0004 -0.0150 315 ARG A CG 2490 C CD . ARG A 315 ? 0.4309 0.5493 0.5539 -0.0079 -0.0011 -0.0149 315 ARG A CD 2491 N NE . ARG A 315 ? 0.4866 0.6190 0.6175 -0.0107 -0.0007 -0.0158 315 ARG A NE 2492 C CZ . ARG A 315 ? 0.4968 0.6393 0.6326 -0.0087 0.0008 -0.0161 315 ARG A CZ 2493 N NH1 . ARG A 315 ? 0.7245 0.8640 0.8578 -0.0031 0.0021 -0.0159 315 ARG A NH1 2494 N NH2 . ARG A 315 ? 0.6463 0.8019 0.7888 -0.0125 0.0010 -0.0167 315 ARG A NH2 2495 N N . LEU A 316 ? 0.3758 0.4700 0.4912 -0.0249 0.0022 -0.0156 316 LEU A N 2496 C CA . LEU A 316 ? 0.3653 0.4574 0.4785 -0.0279 0.0015 -0.0157 316 LEU A CA 2497 C C . LEU A 316 ? 0.3630 0.4605 0.4777 -0.0283 -0.0006 -0.0160 316 LEU A C 2498 O O . LEU A 316 ? 0.4116 0.5158 0.5307 -0.0290 -0.0007 -0.0171 316 LEU A O 2499 C CB . LEU A 316 ? 0.3897 0.4814 0.5043 -0.0310 0.0033 -0.0168 316 LEU A CB 2500 C CG . LEU A 316 ? 0.3901 0.4781 0.5014 -0.0329 0.0038 -0.0167 316 LEU A CG 2501 C CD1 . LEU A 316 ? 0.3838 0.4667 0.4909 -0.0324 0.0039 -0.0151 316 LEU A CD1 2502 C CD2 . LEU A 316 ? 0.4181 0.5054 0.5308 -0.0345 0.0057 -0.0179 316 LEU A CD2 2503 N N . ALA A 317 ? 0.3495 0.4443 0.4600 -0.0282 -0.0023 -0.0151 317 ALA A N 2504 C CA . ALA A 317 ? 0.3229 0.4222 0.4340 -0.0288 -0.0043 -0.0154 317 ALA A CA 2505 C C . ALA A 317 ? 0.3497 0.4512 0.4622 -0.0322 -0.0037 -0.0172 317 ALA A C 2506 O O . ALA A 317 ? 0.2809 0.3788 0.3915 -0.0337 -0.0023 -0.0176 317 ALA A O 2507 C CB . ALA A 317 ? 0.3261 0.4214 0.4314 -0.0284 -0.0062 -0.0138 317 ALA A CB 2508 N N . THR A 318 ? 0.3733 0.4805 0.4887 -0.0334 -0.0048 -0.0184 318 THR A N 2509 C CA . THR A 318 ? 0.4108 0.5180 0.5253 -0.0365 -0.0048 -0.0201 318 THR A CA 2510 C C . THR A 318 ? 0.3872 0.4971 0.4999 -0.0368 -0.0072 -0.0203 318 THR A C 2511 O O . THR A 318 ? 0.3664 0.4738 0.4753 -0.0379 -0.0074 -0.0210 318 THR A O 2512 C CB . THR A 318 ? 0.3622 0.4721 0.4801 -0.0392 -0.0041 -0.0217 318 THR A CB 2513 O OG1 . THR A 318 ? 0.4608 0.5787 0.5832 -0.0386 -0.0052 -0.0212 318 THR A OG1 2514 C CG2 . THR A 318 ? 0.3475 0.4531 0.4657 -0.0395 -0.0015 -0.0217 318 THR A CG2 2515 N N . GLY A 319 ? 0.3949 0.5103 0.5099 -0.0353 -0.0091 -0.0195 319 GLY A N 2516 C CA . GLY A 319 ? 0.3501 0.4686 0.4633 -0.0353 -0.0117 -0.0193 319 GLY A CA 2517 C C . GLY A 319 ? 0.3423 0.4566 0.4509 -0.0330 -0.0125 -0.0174 319 GLY A C 2518 O O . GLY A 319 ? 0.3746 0.4833 0.4806 -0.0325 -0.0110 -0.0164 319 GLY A O 2519 N N . LEU A 320 ? 0.4358 0.5529 0.5426 -0.0321 -0.0151 -0.0166 320 LEU A N 2520 C CA . LEU A 320 ? 0.4459 0.5584 0.5469 -0.0309 -0.0161 -0.0146 320 LEU A CA 2521 C C . LEU A 320 ? 0.4400 0.5519 0.5399 -0.0269 -0.0180 -0.0125 320 LEU A C 2522 O O . LEU A 320 ? 0.5049 0.6215 0.6091 -0.0244 -0.0183 -0.0128 320 LEU A O 2523 C CB . LEU A 320 ? 0.4974 0.6119 0.5953 -0.0329 -0.0176 -0.0152 320 LEU A CB 2524 C CG . LEU A 320 ? 0.4701 0.5915 0.5702 -0.0333 -0.0200 -0.0163 320 LEU A CG 2525 C CD1 . LEU A 320 ? 0.5792 0.7023 0.6777 -0.0301 -0.0227 -0.0142 320 LEU A CD1 2526 C CD2 . LEU A 320 ? 0.4374 0.5592 0.5343 -0.0361 -0.0204 -0.0180 320 LEU A CD2 2527 N N . ARG A 321 ? 0.3667 0.4725 0.4600 -0.0260 -0.0192 -0.0103 321 ARG A N 2528 C CA . ARG A 321 ? 0.3818 0.4842 0.4715 -0.0216 -0.0213 -0.0082 321 ARG A CA 2529 C C . ARG A 321 ? 0.4518 0.5625 0.5443 -0.0190 -0.0238 -0.0085 321 ARG A C 2530 O O . ARG A 321 ? 0.4596 0.5739 0.5513 -0.0211 -0.0253 -0.0088 321 ARG A O 2531 C CB . ARG A 321 ? 0.3418 0.4351 0.4223 -0.0226 -0.0224 -0.0057 321 ARG A CB 2532 C CG . ARG A 321 ? 0.4538 0.5399 0.5280 -0.0179 -0.0247 -0.0033 321 ARG A CG 2533 C CD . ARG A 321 ? 0.4276 0.5044 0.4916 -0.0204 -0.0262 -0.0006 321 ARG A CD 2534 N NE . ARG A 321 ? 0.4652 0.5365 0.5265 -0.0249 -0.0240 -0.0002 321 ARG A NE 2535 C CZ . ARG A 321 ? 0.5217 0.5823 0.5765 -0.0246 -0.0240 0.0015 321 ARG A CZ 2536 N NH1 . ARG A 321 ? 0.4659 0.5189 0.5156 -0.0193 -0.0260 0.0026 321 ARG A NH1 2537 N NH2 . ARG A 321 ? 0.4800 0.5376 0.5329 -0.0294 -0.0221 0.0019 321 ARG A NH2 2538 N N . ASN A 322 ? 0.4672 0.5817 0.5629 -0.0143 -0.0244 -0.0083 322 ASN A N 2539 C CA . ASN A 322 ? 0.4507 0.5757 0.5501 -0.0116 -0.0268 -0.0086 322 ASN A CA 2540 C C . ASN A 322 ? 0.5351 0.6560 0.6275 -0.0073 -0.0301 -0.0062 322 ASN A C 2541 O O . ASN A 322 ? 0.5801 0.6943 0.6678 -0.0019 -0.0307 -0.0045 322 ASN A O 2542 C CB . ASN A 322 ? 0.4582 0.5914 0.5643 -0.0080 -0.0259 -0.0093 322 ASN A CB 2543 C CG . ASN A 322 ? 0.5114 0.6595 0.6236 -0.0073 -0.0280 -0.0100 322 ASN A CG 2544 O OD1 . ASN A 322 ? 0.4923 0.6455 0.6064 -0.0123 -0.0288 -0.0111 322 ASN A OD1 2545 N ND2 . ASN A 322 ? 0.5393 0.6950 0.6542 -0.0010 -0.0288 -0.0093 322 ASN A ND2 2546 N N . VAL A 323 ? 0.4796 0.6036 0.5703 -0.0095 -0.0322 -0.0060 323 VAL A N 2547 C CA . VAL A 323 ? 0.4969 0.6165 0.5800 -0.0061 -0.0354 -0.0036 323 VAL A CA 2548 C C . VAL A 323 ? 0.5205 0.6526 0.6075 -0.0046 -0.0383 -0.0040 323 VAL A C 2549 O O . VAL A 323 ? 0.5338 0.6676 0.6187 -0.0081 -0.0397 -0.0041 323 VAL A O 2550 C CB . VAL A 323 ? 0.5083 0.6185 0.5835 -0.0107 -0.0355 -0.0023 323 VAL A CB 2551 C CG1 . VAL A 323 ? 0.4738 0.5752 0.5387 -0.0072 -0.0386 0.0008 323 VAL A CG1 2552 C CG2 . VAL A 323 ? 0.4322 0.5344 0.5059 -0.0143 -0.0323 -0.0026 323 VAL A CG2 2553 N N . PRO A 324 ? 0.6530 0.7950 0.7456 0.0004 -0.0391 -0.0042 324 PRO A N 2554 C CA . PRO A 324 ? 0.7312 0.8876 0.8284 0.0011 -0.0418 -0.0047 324 PRO A CA 2555 C C . PRO A 324 ? 0.7233 0.8768 0.8131 0.0061 -0.0457 -0.0022 324 PRO A C 2556 O O . PRO A 324 ? 0.7407 0.8817 0.8221 0.0108 -0.0463 0.0000 324 PRO A O 2557 C CB . PRO A 324 ? 0.6997 0.8685 0.8052 0.0051 -0.0412 -0.0054 324 PRO A CB 2558 C CG . PRO A 324 ? 0.5855 0.7448 0.6898 0.0072 -0.0380 -0.0054 324 PRO A CG 2559 C CD . PRO A 324 ? 0.6719 0.8130 0.7660 0.0062 -0.0378 -0.0039 324 PRO A CD 2560 N N . GLN A 325 ? 0.7424 0.9063 0.8341 0.0048 -0.0484 -0.0024 325 GLN A N 2561 C CA . GLN A 325 ? 0.8908 1.0530 0.9754 0.0100 -0.0524 0.0001 325 GLN A CA 2562 C C . GLN A 325 ? 0.8370 1.0173 0.9277 0.0118 -0.0554 -0.0003 325 GLN A C 2563 O O . GLN A 325 ? 0.9653 1.1499 1.0542 0.0199 -0.0582 0.0016 325 GLN A O 2564 C CB . GLN A 325 ? 0.8267 0.9780 0.9028 0.0052 -0.0530 0.0010 325 GLN A CB 2565 C CG . GLN A 325 ? 0.8325 0.9869 0.9124 -0.0037 -0.0510 -0.0016 325 GLN A CG 2566 C CD . GLN A 325 ? 0.8034 0.9477 0.8747 -0.0079 -0.0511 -0.0007 325 GLN A CD 2567 O OE1 . GLN A 325 ? 0.8063 0.9409 0.8685 -0.0050 -0.0528 0.0022 325 GLN A OE1 2568 N NE2 . GLN A 325 ? 0.6462 0.7925 0.7195 -0.0146 -0.0494 -0.0031 325 GLN A NE2 2569 N N . GLY B 1 ? 0.8581 0.9250 0.8976 -0.0465 -0.0229 0.0068 330 GLY B N 2570 C CA . GLY B 1 ? 0.6832 0.7609 0.7293 -0.0486 -0.0199 0.0047 330 GLY B CA 2571 C C . GLY B 1 ? 0.6834 0.7653 0.7243 -0.0542 -0.0195 0.0068 330 GLY B C 2572 O O . GLY B 1 ? 0.7111 0.7907 0.7450 -0.0562 -0.0216 0.0091 330 GLY B O 2573 N N . ILE B 2 ? 0.5704 0.6592 0.6143 -0.0567 -0.0169 0.0061 331 ILE B N 2574 C CA . ILE B 2 ? 0.5265 0.6216 0.5658 -0.0622 -0.0162 0.0083 331 ILE B CA 2575 C C . ILE B 2 ? 0.4665 0.5719 0.5071 -0.0616 -0.0156 0.0071 331 ILE B C 2576 O O . ILE B 2 ? 0.4930 0.6045 0.5291 -0.0659 -0.0153 0.0092 331 ILE B O 2577 C CB . ILE B 2 ? 0.4677 0.5687 0.5100 -0.0646 -0.0136 0.0081 331 ILE B CB 2578 C CG1 . ILE B 2 ? 0.4773 0.5853 0.5289 -0.0597 -0.0111 0.0041 331 ILE B CG1 2579 C CG2 . ILE B 2 ? 0.4886 0.5791 0.5273 -0.0667 -0.0144 0.0098 331 ILE B CG2 2580 C CD1 . ILE B 2 ? 0.5337 0.6468 0.5880 -0.0610 -0.0088 0.0039 331 ILE B CD1 2581 N N . PHE B 3 ? 0.4097 0.5175 0.4559 -0.0567 -0.0155 0.0038 332 PHE B N 2582 C CA . PHE B 3 ? 0.4346 0.5511 0.4808 -0.0561 -0.0151 0.0024 332 PHE B CA 2583 C C . PHE B 3 ? 0.4206 0.5336 0.4623 -0.0559 -0.0180 0.0036 332 PHE B C 2584 O O . PHE B 3 ? 0.5366 0.6558 0.5761 -0.0564 -0.0180 0.0033 332 PHE B O 2585 C CB . PHE B 3 ? 0.4079 0.5291 0.4613 -0.0517 -0.0133 -0.0020 332 PHE B CB 2586 C CG . PHE B 3 ? 0.4201 0.5466 0.4767 -0.0514 -0.0103 -0.0032 332 PHE B CG 2587 C CD1 . PHE B 3 ? 0.3836 0.5056 0.4443 -0.0504 -0.0095 -0.0038 332 PHE B CD1 2588 C CD2 . PHE B 3 ? 0.3683 0.5048 0.4234 -0.0519 -0.0084 -0.0035 332 PHE B CD2 2589 C CE1 . PHE B 3 ? 0.3677 0.4947 0.4310 -0.0499 -0.0069 -0.0046 332 PHE B CE1 2590 C CE2 . PHE B 3 ? 0.3787 0.5209 0.4365 -0.0509 -0.0058 -0.0044 332 PHE B CE2 2591 C CZ . PHE B 3 ? 0.3831 0.5203 0.4450 -0.0500 -0.0052 -0.0050 332 PHE B CZ 2592 N N . GLY B 4 ? 0.4187 0.5219 0.4583 -0.0549 -0.0204 0.0051 333 GLY B N 2593 C CA . GLY B 4 ? 0.3768 0.4753 0.4099 -0.0551 -0.0235 0.0073 333 GLY B CA 2594 C C . GLY B 4 ? 0.4266 0.5269 0.4631 -0.0507 -0.0252 0.0050 333 GLY B C 2595 O O . GLY B 4 ? 0.4784 0.5753 0.5096 -0.0503 -0.0280 0.0068 333 GLY B O 2596 N N . ALA B 5 ? 0.4140 0.5192 0.4587 -0.0478 -0.0237 0.0012 334 ALA B N 2597 C CA . ALA B 5 ? 0.3604 0.4686 0.4087 -0.0446 -0.0252 -0.0012 334 ALA B CA 2598 C C . ALA B 5 ? 0.3720 0.4758 0.4235 -0.0409 -0.0271 -0.0013 334 ALA B C 2599 O O . ALA B 5 ? 0.3939 0.4957 0.4425 -0.0391 -0.0301 0.0002 334 ALA B O 2600 C CB . ALA B 5 ? 0.3838 0.4986 0.4376 -0.0440 -0.0230 -0.0052 334 ALA B CB 2601 N N . ILE B 6 ? 0.3492 0.4524 0.4069 -0.0395 -0.0254 -0.0029 335 ILE B N 2602 C CA . ILE B 6 ? 0.3357 0.4367 0.3971 -0.0357 -0.0268 -0.0031 335 ILE B CA 2603 C C . ILE B 6 ? 0.3953 0.4874 0.4500 -0.0341 -0.0289 0.0003 335 ILE B C 2604 O O . ILE B 6 ? 0.3885 0.4739 0.4378 -0.0365 -0.0281 0.0024 335 ILE B O 2605 C CB . ILE B 6 ? 0.3696 0.4716 0.4380 -0.0349 -0.0242 -0.0053 335 ILE B CB 2606 C CG1 . ILE B 6 ? 0.3307 0.4397 0.4045 -0.0359 -0.0230 -0.0088 335 ILE B CG1 2607 C CG2 . ILE B 6 ? 0.2984 0.3982 0.3698 -0.0308 -0.0253 -0.0050 335 ILE B CG2 2608 C CD1 . ILE B 6 ? 0.3278 0.4370 0.4071 -0.0359 -0.0203 -0.0109 335 ILE B CD1 2609 N N . ALA B 7 ? 0.4470 0.5388 0.5014 -0.0300 -0.0316 0.0009 336 ALA B N 2610 C CA . ALA B 7 ? 0.4857 0.5679 0.5317 -0.0273 -0.0343 0.0042 336 ALA B CA 2611 C C . ALA B 7 ? 0.4798 0.5551 0.5155 -0.0319 -0.0350 0.0072 336 ALA B C 2612 O O . ALA B 7 ? 0.5022 0.5662 0.5298 -0.0324 -0.0357 0.0099 336 ALA B O 2613 C CB . ALA B 7 ? 0.4057 0.4810 0.4519 -0.0241 -0.0336 0.0045 336 ALA B CB 2614 N N . GLY B 8 ? 0.3890 0.4709 0.4244 -0.0354 -0.0347 0.0068 337 GLY B N 2615 C CA . GLY B 8 ? 0.3062 0.3848 0.3328 -0.0405 -0.0349 0.0096 337 GLY B CA 2616 C C . GLY B 8 ? 0.4376 0.5211 0.4616 -0.0405 -0.0370 0.0098 337 GLY B C 2617 O O . GLY B 8 ? 0.4774 0.5580 0.4987 -0.0367 -0.0401 0.0109 337 GLY B O 2618 N N . PHE B 9 ? 0.4328 0.5242 0.4575 -0.0442 -0.0353 0.0087 338 PHE B N 2619 C CA . PHE B 9 ? 0.4775 0.5730 0.4986 -0.0445 -0.0373 0.0091 338 PHE B CA 2620 C C . PHE B 9 ? 0.4790 0.5813 0.5076 -0.0405 -0.0384 0.0057 338 PHE B C 2621 O O . PHE B 9 ? 0.4768 0.5816 0.5029 -0.0394 -0.0410 0.0060 338 PHE B O 2622 C CB . PHE B 9 ? 0.3890 0.4910 0.4074 -0.0494 -0.0351 0.0090 338 PHE B CB 2623 C CG . PHE B 9 ? 0.4887 0.5998 0.5149 -0.0492 -0.0319 0.0048 338 PHE B CG 2624 C CD1 . PHE B 9 ? 0.4730 0.5904 0.5026 -0.0473 -0.0324 0.0015 338 PHE B CD1 2625 C CD2 . PHE B 9 ? 0.4471 0.5600 0.4758 -0.0512 -0.0287 0.0043 338 PHE B CD2 2626 C CE1 . PHE B 9 ? 0.4179 0.5413 0.4527 -0.0469 -0.0297 -0.0024 338 PHE B CE1 2627 C CE2 . PHE B 9 ? 0.4155 0.5356 0.4500 -0.0502 -0.0259 0.0005 338 PHE B CE2 2628 C CZ . PHE B 9 ? 0.3503 0.4747 0.3872 -0.0480 -0.0264 -0.0028 338 PHE B CZ 2629 N N . ILE B 10 ? 0.4486 0.5538 0.4860 -0.0386 -0.0366 0.0028 339 ILE B N 2630 C CA . ILE B 10 ? 0.4217 0.5325 0.4660 -0.0353 -0.0380 0.0002 339 ILE B CA 2631 C C . ILE B 10 ? 0.4187 0.5248 0.4649 -0.0310 -0.0392 0.0015 339 ILE B C 2632 O O . ILE B 10 ? 0.4982 0.6033 0.5494 -0.0304 -0.0370 0.0003 339 ILE B O 2633 C CB . ILE B 10 ? 0.3871 0.5044 0.4389 -0.0365 -0.0354 -0.0040 339 ILE B CB 2634 C CG1 . ILE B 10 ? 0.3756 0.4961 0.4240 -0.0398 -0.0339 -0.0053 339 ILE B CG1 2635 C CG2 . ILE B 10 ? 0.3743 0.4979 0.4320 -0.0346 -0.0373 -0.0063 339 ILE B CG2 2636 C CD1 . ILE B 10 ? 0.3101 0.4345 0.3634 -0.0405 -0.0315 -0.0093 339 ILE B CD1 2637 N N . GLU B 11 ? 0.5534 0.6565 0.5947 -0.0277 -0.0426 0.0039 340 GLU B N 2638 C CA . GLU B 11 ? 0.5583 0.6539 0.5974 -0.0228 -0.0440 0.0060 340 GLU B CA 2639 C C . GLU B 11 ? 0.5593 0.6599 0.6077 -0.0189 -0.0430 0.0038 340 GLU B C 2640 O O . GLU B 11 ? 0.6304 0.7242 0.6777 -0.0161 -0.0424 0.0047 340 GLU B O 2641 C CB . GLU B 11 ? 0.6571 0.7497 0.6891 -0.0189 -0.0482 0.0087 340 GLU B CB 2642 C CG . GLU B 11 ? 0.8617 0.9443 0.8813 -0.0221 -0.0494 0.0122 340 GLU B CG 2643 C CD . GLU B 11 ? 1.0711 1.1518 1.0835 -0.0187 -0.0537 0.0147 340 GLU B CD 2644 O OE1 . GLU B 11 ? 1.0990 1.1805 1.1058 -0.0225 -0.0546 0.0158 340 GLU B OE1 2645 O OE2 . GLU B 11 ? 1.0708 1.1497 1.0828 -0.0118 -0.0561 0.0154 340 GLU B OE2 2646 N N . GLY B 12 ? 0.4641 0.5765 0.5209 -0.0191 -0.0430 0.0009 341 GLY B N 2647 C CA . GLY B 12 ? 0.3849 0.5038 0.4505 -0.0162 -0.0422 -0.0010 341 GLY B CA 2648 C C . GLY B 12 ? 0.4187 0.5472 0.4925 -0.0201 -0.0406 -0.0045 341 GLY B C 2649 O O . GLY B 12 ? 0.3939 0.5239 0.4662 -0.0244 -0.0402 -0.0058 341 GLY B O 2650 N N . GLY B 13 ? 0.4247 0.5590 0.5062 -0.0187 -0.0395 -0.0061 342 GLY B N 2651 C CA . GLY B 13 ? 0.4000 0.5423 0.4884 -0.0228 -0.0382 -0.0093 342 GLY B CA 2652 C C . GLY B 13 ? 0.4617 0.6159 0.5540 -0.0227 -0.0411 -0.0102 342 GLY B C 2653 O O . GLY B 13 ? 0.4368 0.5944 0.5274 -0.0186 -0.0442 -0.0083 342 GLY B O 2654 N N . TRP B 14 ? 0.3911 0.5512 0.4881 -0.0275 -0.0404 -0.0130 343 TRP B N 2655 C CA . TRP B 14 ? 0.3961 0.5681 0.4969 -0.0293 -0.0430 -0.0142 343 TRP B CA 2656 C C . TRP B 14 ? 0.4533 0.6347 0.5625 -0.0303 -0.0422 -0.0153 343 TRP B C 2657 O O . TRP B 14 ? 0.4168 0.5965 0.5279 -0.0352 -0.0400 -0.0175 343 TRP B O 2658 C CB . TRP B 14 ? 0.3307 0.5015 0.4282 -0.0354 -0.0434 -0.0167 343 TRP B CB 2659 C CG . TRP B 14 ? 0.3815 0.5465 0.4712 -0.0351 -0.0445 -0.0158 343 TRP B CG 2660 C CD1 . TRP B 14 ? 0.3843 0.5480 0.4699 -0.0309 -0.0466 -0.0129 343 TRP B CD1 2661 C CD2 . TRP B 14 ? 0.3466 0.5061 0.4307 -0.0391 -0.0436 -0.0179 343 TRP B CD2 2662 N NE1 . TRP B 14 ? 0.4298 0.5884 0.5081 -0.0327 -0.0470 -0.0129 343 TRP B NE1 2663 C CE2 . TRP B 14 ? 0.3285 0.4851 0.4061 -0.0374 -0.0450 -0.0160 343 TRP B CE2 2664 C CE3 . TRP B 14 ? 0.3553 0.5117 0.4387 -0.0435 -0.0417 -0.0212 343 TRP B CE3 2665 C CZ2 . TRP B 14 ? 0.3530 0.5053 0.4240 -0.0400 -0.0444 -0.0173 343 TRP B CZ2 2666 C CZ3 . TRP B 14 ? 0.3541 0.5052 0.4304 -0.0453 -0.0412 -0.0226 343 TRP B CZ3 2667 C CH2 . TRP B 14 ? 0.3298 0.4799 0.4005 -0.0435 -0.0425 -0.0207 343 TRP B CH2 2668 N N . THR B 15 ? 0.4157 0.6073 0.5292 -0.0256 -0.0440 -0.0138 344 THR B N 2669 C CA . THR B 15 ? 0.4854 0.6892 0.6071 -0.0271 -0.0435 -0.0147 344 THR B CA 2670 C C . THR B 15 ? 0.5254 0.7379 0.6492 -0.0348 -0.0452 -0.0168 344 THR B C 2671 O O . THR B 15 ? 0.4987 0.7178 0.6276 -0.0393 -0.0442 -0.0182 344 THR B O 2672 C CB . THR B 15 ? 0.5073 0.7225 0.6330 -0.0196 -0.0452 -0.0125 344 THR B CB 2673 O OG1 . THR B 15 ? 0.5298 0.7500 0.6526 -0.0169 -0.0492 -0.0112 344 THR B OG1 2674 C CG2 . THR B 15 ? 0.4197 0.6248 0.5428 -0.0125 -0.0433 -0.0108 344 THR B CG2 2675 N N . GLY B 16 ? 0.4642 0.6756 0.5829 -0.0367 -0.0478 -0.0172 345 GLY B N 2676 C CA . GLY B 16 ? 0.4292 0.6469 0.5478 -0.0441 -0.0500 -0.0193 345 GLY B CA 2677 C C . GLY B 16 ? 0.5012 0.7082 0.6159 -0.0511 -0.0478 -0.0222 345 GLY B C 2678 O O . GLY B 16 ? 0.5363 0.7468 0.6502 -0.0581 -0.0493 -0.0243 345 GLY B O 2679 N N . MET B 17 ? 0.4680 0.6615 0.5794 -0.0493 -0.0445 -0.0224 346 MET B N 2680 C CA . MET B 17 ? 0.4613 0.6444 0.5688 -0.0545 -0.0423 -0.0252 346 MET B CA 2681 C C . MET B 17 ? 0.4711 0.6538 0.5837 -0.0555 -0.0393 -0.0254 346 MET B C 2682 O O . MET B 17 ? 0.4765 0.6543 0.5905 -0.0510 -0.0367 -0.0241 346 MET B O 2683 C CB . MET B 17 ? 0.3478 0.5179 0.4483 -0.0522 -0.0405 -0.0254 346 MET B CB 2684 C CG . MET B 17 ? 0.3988 0.5586 0.4941 -0.0564 -0.0385 -0.0283 346 MET B CG 2685 S SD . MET B 17 ? 0.5682 0.7164 0.6559 -0.0532 -0.0363 -0.0285 346 MET B SD 2686 C CE . MET B 17 ? 0.3601 0.5059 0.4523 -0.0483 -0.0332 -0.0257 346 MET B CE 2687 N N . ILE B 18 ? 0.5710 0.7587 0.6856 -0.0619 -0.0399 -0.0270 347 ILE B N 2688 C CA . ILE B 18 ? 0.5495 0.7404 0.6697 -0.0634 -0.0377 -0.0267 347 ILE B CA 2689 C C . ILE B 18 ? 0.5389 0.7171 0.6545 -0.0683 -0.0353 -0.0290 347 ILE B C 2690 O O . ILE B 18 ? 0.6015 0.7790 0.7205 -0.0688 -0.0328 -0.0287 347 ILE B O 2691 C CB . ILE B 18 ? 0.6230 0.8311 0.7495 -0.0677 -0.0401 -0.0263 347 ILE B CB 2692 C CG1 . ILE B 18 ? 0.7013 0.9087 0.8227 -0.0768 -0.0426 -0.0286 347 ILE B CG1 2693 C CG2 . ILE B 18 ? 0.6883 0.9101 0.8194 -0.0617 -0.0426 -0.0240 347 ILE B CG2 2694 C CD1 . ILE B 18 ? 0.7372 0.9617 0.8642 -0.0829 -0.0449 -0.0282 347 ILE B CD1 2695 N N . ASP B 19 ? 0.6143 0.7822 0.7215 -0.0713 -0.0360 -0.0313 348 ASP B N 2696 C CA . ASP B 19 ? 0.7044 0.8597 0.8055 -0.0760 -0.0344 -0.0337 348 ASP B CA 2697 C C . ASP B 19 ? 0.6966 0.8382 0.7931 -0.0713 -0.0312 -0.0342 348 ASP B C 2698 O O . ASP B 19 ? 0.6561 0.7858 0.7456 -0.0737 -0.0302 -0.0365 348 ASP B O 2699 C CB . ASP B 19 ? 0.7243 0.8756 0.8174 -0.0825 -0.0373 -0.0363 348 ASP B CB 2700 C CG . ASP B 19 ? 0.8708 1.0219 0.9594 -0.0797 -0.0395 -0.0367 348 ASP B CG 2701 O OD1 . ASP B 19 ? 0.8196 0.9800 0.9134 -0.0748 -0.0403 -0.0343 348 ASP B OD1 2702 O OD2 . ASP B 19 ? 0.8928 1.0341 0.9719 -0.0825 -0.0405 -0.0393 348 ASP B OD2 2703 N N . GLY B 20 ? 0.5148 0.6580 0.6147 -0.0647 -0.0298 -0.0321 349 GLY B N 2704 C CA . GLY B 20 ? 0.4467 0.5794 0.5429 -0.0608 -0.0269 -0.0323 349 GLY B CA 2705 C C . GLY B 20 ? 0.4460 0.5810 0.5449 -0.0548 -0.0261 -0.0297 349 GLY B C 2706 O O . GLY B 20 ? 0.4733 0.6167 0.5764 -0.0527 -0.0278 -0.0277 349 GLY B O 2707 N N . TRP B 21 ? 0.4341 0.5613 0.5300 -0.0519 -0.0235 -0.0295 350 TRP B N 2708 C CA . TRP B 21 ? 0.4140 0.5416 0.5114 -0.0473 -0.0225 -0.0269 350 TRP B CA 2709 C C . TRP B 21 ? 0.4156 0.5431 0.5081 -0.0457 -0.0239 -0.0262 350 TRP B C 2710 O O . TRP B 21 ? 0.3923 0.5225 0.4857 -0.0431 -0.0249 -0.0237 350 TRP B O 2711 C CB . TRP B 21 ? 0.3705 0.4913 0.4673 -0.0458 -0.0192 -0.0268 350 TRP B CB 2712 C CG . TRP B 21 ? 0.3476 0.4693 0.4499 -0.0456 -0.0177 -0.0260 350 TRP B CG 2713 C CD1 . TRP B 21 ? 0.4238 0.5526 0.5319 -0.0450 -0.0186 -0.0247 350 TRP B CD1 2714 C CD2 . TRP B 21 ? 0.3315 0.4476 0.4339 -0.0455 -0.0148 -0.0265 350 TRP B CD2 2715 N NE1 . TRP B 21 ? 0.3703 0.4980 0.4819 -0.0447 -0.0163 -0.0244 350 TRP B NE1 2716 C CE2 . TRP B 21 ? 0.3285 0.4480 0.4366 -0.0453 -0.0141 -0.0255 350 TRP B CE2 2717 C CE3 . TRP B 21 ? 0.3563 0.4651 0.4541 -0.0451 -0.0129 -0.0277 350 TRP B CE3 2718 C CZ2 . TRP B 21 ? 0.3001 0.4155 0.4094 -0.0453 -0.0115 -0.0255 350 TRP B CZ2 2719 C CZ3 . TRP B 21 ? 0.3469 0.4519 0.4461 -0.0448 -0.0105 -0.0277 350 TRP B CZ3 2720 C CH2 . TRP B 21 ? 0.3428 0.4508 0.4476 -0.0452 -0.0099 -0.0266 350 TRP B CH2 2721 N N . TYR B 22 ? 0.3941 0.5176 0.4806 -0.0472 -0.0239 -0.0284 351 TYR B N 2722 C CA . TYR B 22 ? 0.4027 0.5264 0.4838 -0.0460 -0.0250 -0.0280 351 TYR B CA 2723 C C . TYR B 22 ? 0.4423 0.5667 0.5191 -0.0488 -0.0274 -0.0305 351 TYR B C 2724 O O . TYR B 22 ? 0.4388 0.5594 0.5137 -0.0516 -0.0273 -0.0332 351 TYR B O 2725 C CB . TYR B 22 ? 0.3711 0.4900 0.4477 -0.0441 -0.0223 -0.0282 351 TYR B CB 2726 C CG . TYR B 22 ? 0.3754 0.4915 0.4552 -0.0427 -0.0194 -0.0272 351 TYR B CG 2727 C CD1 . TYR B 22 ? 0.3641 0.4818 0.4479 -0.0413 -0.0192 -0.0242 351 TYR B CD1 2728 C CD2 . TYR B 22 ? 0.3729 0.4839 0.4506 -0.0425 -0.0172 -0.0293 351 TYR B CD2 2729 C CE1 . TYR B 22 ? 0.3357 0.4506 0.4218 -0.0404 -0.0167 -0.0234 351 TYR B CE1 2730 C CE2 . TYR B 22 ? 0.3513 0.4602 0.4317 -0.0413 -0.0147 -0.0284 351 TYR B CE2 2731 C CZ . TYR B 22 ? 0.3517 0.4629 0.4366 -0.0405 -0.0145 -0.0255 351 TYR B CZ 2732 O OH . TYR B 22 ? 0.3434 0.4522 0.4304 -0.0395 -0.0121 -0.0246 351 TYR B OH 2733 N N . GLY B 23 ? 0.4109 0.5392 0.4852 -0.0484 -0.0297 -0.0296 352 GLY B N 2734 C CA . GLY B 23 ? 0.4086 0.5374 0.4781 -0.0512 -0.0322 -0.0320 352 GLY B CA 2735 C C . GLY B 23 ? 0.3835 0.5166 0.4498 -0.0505 -0.0347 -0.0307 352 GLY B C 2736 O O . GLY B 23 ? 0.4381 0.5715 0.5030 -0.0477 -0.0340 -0.0283 352 GLY B O 2737 N N . TYR B 24 ? 0.3750 0.5116 0.4397 -0.0534 -0.0378 -0.0321 353 TYR B N 2738 C CA . TYR B 24 ? 0.4073 0.5472 0.4673 -0.0532 -0.0404 -0.0315 353 TYR B CA 2739 C C . TYR B 24 ? 0.4076 0.5565 0.4715 -0.0545 -0.0443 -0.0303 353 TYR B C 2740 O O . TYR B 24 ? 0.4294 0.5827 0.4983 -0.0573 -0.0454 -0.0310 353 TYR B O 2741 C CB . TYR B 24 ? 0.3744 0.5088 0.4254 -0.0552 -0.0407 -0.0351 353 TYR B CB 2742 C CG . TYR B 24 ? 0.3990 0.5248 0.4454 -0.0537 -0.0371 -0.0373 353 TYR B CG 2743 C CD1 . TYR B 24 ? 0.3941 0.5137 0.4404 -0.0557 -0.0359 -0.0399 353 TYR B CD1 2744 C CD2 . TYR B 24 ? 0.4318 0.5559 0.4732 -0.0504 -0.0350 -0.0369 353 TYR B CD2 2745 C CE1 . TYR B 24 ? 0.4237 0.5350 0.4649 -0.0534 -0.0328 -0.0419 353 TYR B CE1 2746 C CE2 . TYR B 24 ? 0.3525 0.4704 0.3897 -0.0483 -0.0317 -0.0389 353 TYR B CE2 2747 C CZ . TYR B 24 ? 0.4204 0.5316 0.4575 -0.0494 -0.0308 -0.0415 353 TYR B CZ 2748 O OH . TYR B 24 ? 0.4478 0.5525 0.4801 -0.0464 -0.0277 -0.0434 353 TYR B OH 2749 N N . HIS B 25 ? 0.4245 0.5771 0.4858 -0.0527 -0.0465 -0.0283 354 HIS B N 2750 C CA . HIS B 25 ? 0.4465 0.6080 0.5093 -0.0538 -0.0507 -0.0275 354 HIS B CA 2751 C C . HIS B 25 ? 0.4726 0.6328 0.5268 -0.0551 -0.0526 -0.0287 354 HIS B C 2752 O O . HIS B 25 ? 0.4615 0.6184 0.5109 -0.0525 -0.0516 -0.0273 354 HIS B O 2753 C CB . HIS B 25 ? 0.4251 0.5922 0.4926 -0.0492 -0.0519 -0.0234 354 HIS B CB 2754 C CG . HIS B 25 ? 0.5117 0.6895 0.5812 -0.0492 -0.0564 -0.0223 354 HIS B CG 2755 N ND1 . HIS B 25 ? 0.5413 0.7287 0.6181 -0.0506 -0.0580 -0.0226 354 HIS B ND1 2756 C CD2 . HIS B 25 ? 0.5131 0.6942 0.5781 -0.0481 -0.0596 -0.0209 354 HIS B CD2 2757 C CE1 . HIS B 25 ? 0.5347 0.7320 0.6120 -0.0500 -0.0620 -0.0213 354 HIS B CE1 2758 N NE2 . HIS B 25 ? 0.5370 0.7299 0.6069 -0.0484 -0.0632 -0.0204 354 HIS B NE2 2759 N N . HIS B 26 ? 0.4425 0.6052 0.4942 -0.0595 -0.0553 -0.0314 355 HIS B N 2760 C CA . HIS B 26 ? 0.4054 0.5667 0.4482 -0.0608 -0.0572 -0.0328 355 HIS B CA 2761 C C . HIS B 26 ? 0.4581 0.6298 0.5023 -0.0619 -0.0620 -0.0314 355 HIS B C 2762 O O . HIS B 26 ? 0.4595 0.6400 0.5110 -0.0630 -0.0640 -0.0304 355 HIS B O 2763 C CB . HIS B 26 ? 0.3651 0.5184 0.4007 -0.0649 -0.0566 -0.0375 355 HIS B CB 2764 C CG . HIS B 26 ? 0.5569 0.7138 0.5934 -0.0709 -0.0598 -0.0396 355 HIS B CG 2765 N ND1 . HIS B 26 ? 0.5903 0.7468 0.6320 -0.0739 -0.0589 -0.0404 355 HIS B ND1 2766 C CD2 . HIS B 26 ? 0.5133 0.6746 0.5457 -0.0751 -0.0640 -0.0409 355 HIS B CD2 2767 C CE1 . HIS B 26 ? 0.5931 0.7539 0.6339 -0.0802 -0.0624 -0.0420 355 HIS B CE1 2768 N NE2 . HIS B 26 ? 0.5827 0.7466 0.6180 -0.0811 -0.0656 -0.0424 355 HIS B NE2 2769 N N . GLU B 27 ? 0.5589 0.7305 0.5957 -0.0616 -0.0639 -0.0313 356 GLU B N 2770 C CA . GLU B 27 ? 0.5660 0.7473 0.6030 -0.0625 -0.0686 -0.0301 356 GLU B CA 2771 C C . GLU B 27 ? 0.5834 0.7615 0.6099 -0.0649 -0.0704 -0.0323 356 GLU B C 2772 O O . GLU B 27 ? 0.6089 0.7816 0.6291 -0.0623 -0.0686 -0.0317 356 GLU B O 2773 C CB . GLU B 27 ? 0.5910 0.7775 0.6317 -0.0569 -0.0696 -0.0252 356 GLU B CB 2774 C CG . GLU B 27 ? 0.7917 0.9894 0.8335 -0.0566 -0.0747 -0.0234 356 GLU B CG 2775 C CD . GLU B 27 ? 1.0091 1.2090 1.0520 -0.0501 -0.0757 -0.0187 356 GLU B CD 2776 O OE1 . GLU B 27 ? 0.9422 1.1391 0.9899 -0.0463 -0.0732 -0.0167 356 GLU B OE1 2777 O OE2 . GLU B 27 ? 0.9377 1.1411 0.9758 -0.0487 -0.0791 -0.0169 356 GLU B OE2 2778 N N . ASN B 28 ? 0.5277 0.7095 0.5519 -0.0702 -0.0738 -0.0349 357 ASN B N 2779 C CA . ASN B 28 ? 0.5239 0.7032 0.5376 -0.0726 -0.0760 -0.0372 357 ASN B CA 2780 C C . ASN B 28 ? 0.5632 0.7530 0.5776 -0.0774 -0.0815 -0.0375 357 ASN B C 2781 O O . ASN B 28 ? 0.5541 0.7552 0.5778 -0.0774 -0.0836 -0.0352 357 ASN B O 2782 C CB . ASN B 28 ? 0.4054 0.5717 0.4103 -0.0750 -0.0733 -0.0419 357 ASN B CB 2783 C CG . ASN B 28 ? 0.4592 0.6223 0.4656 -0.0805 -0.0736 -0.0449 357 ASN B CG 2784 O OD1 . ASN B 28 ? 0.5222 0.6947 0.5363 -0.0838 -0.0761 -0.0437 357 ASN B OD1 2785 N ND2 . ASN B 28 ? 0.4897 0.6398 0.4882 -0.0816 -0.0711 -0.0488 357 ASN B ND2 2786 N N . SER B 29 ? 0.5647 0.7514 0.5690 -0.0813 -0.0840 -0.0405 358 SER B N 2787 C CA . SER B 29 ? 0.6014 0.7986 0.6052 -0.0863 -0.0896 -0.0408 358 SER B CA 2788 C C . SER B 29 ? 0.5932 0.7965 0.6036 -0.0926 -0.0912 -0.0419 358 SER B C 2789 O O . SER B 29 ? 0.5472 0.7654 0.5638 -0.0947 -0.0953 -0.0400 358 SER B O 2790 C CB . SER B 29 ? 0.5504 0.7407 0.5407 -0.0900 -0.0916 -0.0444 358 SER B CB 2791 O OG . SER B 29 ? 0.6397 0.8276 0.6242 -0.0847 -0.0906 -0.0428 358 SER B OG 2792 N N . GLN B 30 ? 0.5215 0.7140 0.5305 -0.0954 -0.0881 -0.0448 359 GLN B N 2793 C CA . GLN B 30 ? 0.5120 0.7088 0.5267 -0.1017 -0.0890 -0.0457 359 GLN B CA 2794 C C . GLN B 30 ? 0.5128 0.7212 0.5419 -0.0978 -0.0876 -0.0418 359 GLN B C 2795 O O . GLN B 30 ? 0.5672 0.7832 0.6027 -0.1028 -0.0886 -0.0418 359 GLN B O 2796 C CB . GLN B 30 ? 0.5209 0.7005 0.5280 -0.1055 -0.0861 -0.0499 359 GLN B CB 2797 C CG . GLN B 30 ? 0.5859 0.7552 0.5786 -0.1127 -0.0889 -0.0545 359 GLN B CG 2798 C CD . GLN B 30 ? 0.6249 0.7917 0.6081 -0.1098 -0.0904 -0.0553 359 GLN B CD 2799 O OE1 . GLN B 30 ? 0.6045 0.7822 0.5874 -0.1125 -0.0949 -0.0543 359 GLN B OE1 2800 N NE2 . GLN B 30 ? 0.5761 0.7296 0.5514 -0.1043 -0.0866 -0.0570 359 GLN B NE2 2801 N N . GLY B 31 ? 0.5285 0.7380 0.5620 -0.0893 -0.0853 -0.0385 360 GLY B N 2802 C CA . GLY B 31 ? 0.5674 0.7867 0.6131 -0.0846 -0.0841 -0.0348 360 GLY B CA 2803 C C . GLY B 31 ? 0.6017 0.8112 0.6503 -0.0794 -0.0787 -0.0340 360 GLY B C 2804 O O . GLY B 31 ? 0.6172 0.8136 0.6589 -0.0773 -0.0758 -0.0353 360 GLY B O 2805 N N . SER B 32 ? 0.5334 0.7502 0.5923 -0.0773 -0.0775 -0.0319 361 SER B N 2806 C CA . SER B 32 ? 0.4293 0.6395 0.4923 -0.0716 -0.0730 -0.0303 361 SER B CA 2807 C C . SER B 32 ? 0.5385 0.7471 0.6070 -0.0748 -0.0704 -0.0316 361 SER B C 2808 O O . SER B 32 ? 0.5709 0.7878 0.6427 -0.0806 -0.0724 -0.0326 361 SER B O 2809 C CB . SER B 32 ? 0.4758 0.6953 0.5454 -0.0641 -0.0739 -0.0259 361 SER B CB 2810 O OG . SER B 32 ? 0.6654 0.8862 0.7297 -0.0611 -0.0767 -0.0242 361 SER B OG 2811 N N . GLY B 33 ? 0.5487 0.7473 0.6179 -0.0712 -0.0660 -0.0314 362 GLY B N 2812 C CA . GLY B 33 ? 0.5176 0.7137 0.5914 -0.0736 -0.0632 -0.0324 362 GLY B CA 2813 C C . GLY B 33 ? 0.5550 0.7398 0.6289 -0.0691 -0.0584 -0.0320 362 GLY B C 2814 O O . GLY B 33 ? 0.5367 0.7129 0.6047 -0.0658 -0.0569 -0.0320 362 GLY B O 2815 N N . TYR B 34 ? 0.5489 0.7348 0.6294 -0.0693 -0.0561 -0.0316 363 TYR B N 2816 C CA . TYR B 34 ? 0.4958 0.6715 0.5766 -0.0661 -0.0517 -0.0315 363 TYR B CA 2817 C C . TYR B 34 ? 0.5119 0.6772 0.5880 -0.0711 -0.0499 -0.0349 363 TYR B C 2818 O O . TYR B 34 ? 0.5621 0.7299 0.6379 -0.0775 -0.0516 -0.0366 363 TYR B O 2819 C CB . TYR B 34 ? 0.4213 0.6036 0.5115 -0.0624 -0.0502 -0.0289 363 TYR B CB 2820 C CG . TYR B 34 ? 0.4799 0.6692 0.5732 -0.0559 -0.0517 -0.0254 363 TYR B CG 2821 C CD1 . TYR B 34 ? 0.4723 0.6538 0.5622 -0.0506 -0.0500 -0.0236 363 TYR B CD1 2822 C CD2 . TYR B 34 ? 0.4806 0.6845 0.5796 -0.0550 -0.0548 -0.0238 363 TYR B CD2 2823 C CE1 . TYR B 34 ? 0.4120 0.5974 0.5029 -0.0448 -0.0516 -0.0203 363 TYR B CE1 2824 C CE2 . TYR B 34 ? 0.4577 0.6665 0.5582 -0.0481 -0.0563 -0.0206 363 TYR B CE2 2825 C CZ . TYR B 34 ? 0.4833 0.6817 0.5792 -0.0431 -0.0548 -0.0189 363 TYR B CZ 2826 O OH . TYR B 34 ? 0.5566 0.7575 0.6521 -0.0364 -0.0565 -0.0157 363 TYR B OH 2827 N N . ALA B 35 ? 0.4598 0.6134 0.5315 -0.0684 -0.0465 -0.0358 364 ALA B N 2828 C CA . ALA B 35 ? 0.4697 0.6123 0.5367 -0.0716 -0.0445 -0.0388 364 ALA B CA 2829 C C . ALA B 35 ? 0.5066 0.6417 0.5744 -0.0669 -0.0402 -0.0381 364 ALA B C 2830 O O . ALA B 35 ? 0.4816 0.6147 0.5474 -0.0622 -0.0388 -0.0370 364 ALA B O 2831 C CB . ALA B 35 ? 0.3920 0.5260 0.4477 -0.0745 -0.0459 -0.0422 364 ALA B CB 2832 N N . ALA B 36 ? 0.4835 0.6152 0.5541 -0.0686 -0.0383 -0.0386 365 ALA B N 2833 C CA . ALA B 36 ? 0.4744 0.5989 0.5453 -0.0646 -0.0344 -0.0382 365 ALA B CA 2834 C C . ALA B 36 ? 0.4686 0.5818 0.5295 -0.0630 -0.0330 -0.0408 365 ALA B C 2835 O O . ALA B 36 ? 0.6262 0.7334 0.6792 -0.0663 -0.0346 -0.0437 365 ALA B O 2836 C CB . ALA B 36 ? 0.4878 0.6108 0.5629 -0.0671 -0.0329 -0.0383 365 ALA B CB 2837 N N . ASP B 37 ? 0.5618 0.6724 0.6226 -0.0579 -0.0301 -0.0398 366 ASP B N 2838 C CA . ASP B 37 ? 0.5295 0.6303 0.5819 -0.0555 -0.0279 -0.0422 366 ASP B CA 2839 C C . ASP B 37 ? 0.5231 0.6169 0.5761 -0.0558 -0.0257 -0.0430 366 ASP B C 2840 O O . ASP B 37 ? 0.5336 0.6298 0.5929 -0.0535 -0.0235 -0.0408 366 ASP B O 2841 C CB . ASP B 37 ? 0.5305 0.6339 0.5824 -0.0504 -0.0259 -0.0405 366 ASP B CB 2842 C CG . ASP B 37 ? 0.5845 0.6804 0.6277 -0.0470 -0.0237 -0.0431 366 ASP B CG 2843 O OD1 . ASP B 37 ? 0.6733 0.7657 0.7081 -0.0471 -0.0250 -0.0456 366 ASP B OD1 2844 O OD2 . ASP B 37 ? 0.5670 0.6609 0.6115 -0.0439 -0.0208 -0.0425 366 ASP B OD2 2845 N N . ARG B 38 ? 0.6103 0.6945 0.6560 -0.0588 -0.0264 -0.0461 367 ARG B N 2846 C CA . ARG B 38 ? 0.6059 0.6831 0.6518 -0.0603 -0.0248 -0.0466 367 ARG B CA 2847 C C . ARG B 38 ? 0.6067 0.6768 0.6491 -0.0545 -0.0215 -0.0471 367 ARG B C 2848 O O . ARG B 38 ? 0.6130 0.6812 0.6592 -0.0540 -0.0196 -0.0461 367 ARG B O 2849 C CB . ARG B 38 ? 0.7836 0.8513 0.8213 -0.0663 -0.0271 -0.0495 367 ARG B CB 2850 C CG . ARG B 38 ? 0.8958 0.9724 0.9383 -0.0732 -0.0304 -0.0487 367 ARG B CG 2851 C CD . ARG B 38 ? 1.1164 1.1834 1.1480 -0.0797 -0.0333 -0.0519 367 ARG B CD 2852 N NE . ARG B 38 ? 1.3549 1.4066 1.3731 -0.0761 -0.0326 -0.0551 367 ARG B NE 2853 C CZ . ARG B 38 ? 1.4105 1.4514 1.4160 -0.0796 -0.0351 -0.0584 367 ARG B CZ 2854 N NH1 . ARG B 38 ? 1.3785 1.4229 1.3834 -0.0877 -0.0387 -0.0587 367 ARG B NH1 2855 N NH2 . ARG B 38 ? 1.3515 1.3784 1.3445 -0.0747 -0.0340 -0.0614 367 ARG B NH2 2856 N N . GLU B 39 ? 0.5639 0.6312 0.5992 -0.0500 -0.0208 -0.0486 368 GLU B N 2857 C CA . GLU B 39 ? 0.5856 0.6482 0.6174 -0.0440 -0.0177 -0.0492 368 GLU B CA 2858 C C . GLU B 39 ? 0.5517 0.6235 0.5934 -0.0414 -0.0153 -0.0456 368 GLU B C 2859 O O . GLU B 39 ? 0.5262 0.5950 0.5696 -0.0395 -0.0132 -0.0451 368 GLU B O 2860 C CB . GLU B 39 ? 0.5849 0.6454 0.6073 -0.0393 -0.0173 -0.0513 368 GLU B CB 2861 C CG . GLU B 39 ? 0.6593 0.7206 0.6803 -0.0323 -0.0140 -0.0511 368 GLU B CG 2862 C CD . GLU B 39 ? 0.9306 0.9912 0.9420 -0.0270 -0.0134 -0.0534 368 GLU B CD 2863 O OE1 . GLU B 39 ? 0.9576 1.0222 0.9671 -0.0286 -0.0151 -0.0537 368 GLU B OE1 2864 O OE2 . GLU B 39 ? 0.8590 0.9158 0.8648 -0.0209 -0.0111 -0.0547 368 GLU B OE2 2865 N N . SER B 40 ? 0.4751 0.5572 0.5225 -0.0415 -0.0159 -0.0431 369 SER B N 2866 C CA . SER B 40 ? 0.4520 0.5413 0.5069 -0.0395 -0.0140 -0.0397 369 SER B CA 2867 C C . SER B 40 ? 0.4571 0.5483 0.5204 -0.0423 -0.0142 -0.0378 369 SER B C 2868 O O . SER B 40 ? 0.4408 0.5335 0.5087 -0.0407 -0.0122 -0.0359 369 SER B O 2869 C CB . SER B 40 ? 0.4124 0.5102 0.4687 -0.0388 -0.0148 -0.0376 369 SER B CB 2870 O OG . SER B 40 ? 0.4585 0.5599 0.5177 -0.0422 -0.0177 -0.0368 369 SER B OG 2871 N N . THR B 41 ? 0.4074 0.4994 0.4727 -0.0465 -0.0166 -0.0382 370 THR B N 2872 C CA . THR B 41 ? 0.3924 0.4871 0.4652 -0.0489 -0.0166 -0.0367 370 THR B CA 2873 C C . THR B 41 ? 0.4274 0.5144 0.4988 -0.0493 -0.0147 -0.0378 370 THR B C 2874 O O . THR B 41 ? 0.4541 0.5428 0.5311 -0.0484 -0.0130 -0.0360 370 THR B O 2875 C CB . THR B 41 ? 0.4272 0.5262 0.5022 -0.0537 -0.0196 -0.0370 370 THR B CB 2876 O OG1 . THR B 41 ? 0.3608 0.4682 0.4388 -0.0527 -0.0215 -0.0352 370 THR B OG1 2877 C CG2 . THR B 41 ? 0.3873 0.4891 0.4691 -0.0562 -0.0192 -0.0359 370 THR B CG2 2878 N N . GLN B 42 ? 0.4470 0.5246 0.5101 -0.0505 -0.0151 -0.0408 371 GLN B N 2879 C CA . GLN B 42 ? 0.4262 0.4946 0.4862 -0.0510 -0.0136 -0.0418 371 GLN B CA 2880 C C . GLN B 42 ? 0.4577 0.5247 0.5179 -0.0455 -0.0107 -0.0410 371 GLN B C 2881 O O . GLN B 42 ? 0.4580 0.5225 0.5208 -0.0454 -0.0090 -0.0401 371 GLN B O 2882 C CB . GLN B 42 ? 0.4555 0.5117 0.5040 -0.0531 -0.0150 -0.0452 371 GLN B CB 2883 C CG . GLN B 42 ? 0.4506 0.4959 0.4949 -0.0551 -0.0142 -0.0461 371 GLN B CG 2884 C CD . GLN B 42 ? 0.5290 0.5799 0.5814 -0.0610 -0.0147 -0.0442 371 GLN B CD 2885 O OE1 . GLN B 42 ? 0.6274 0.6849 0.6829 -0.0661 -0.0170 -0.0440 371 GLN B OE1 2886 N NE2 . GLN B 42 ? 0.5399 0.5892 0.5956 -0.0602 -0.0125 -0.0429 371 GLN B NE2 2887 N N . LYS B 43 ? 0.3968 0.4662 0.4541 -0.0411 -0.0100 -0.0411 372 LYS B N 2888 C CA . LYS B 43 ? 0.3927 0.4631 0.4500 -0.0360 -0.0073 -0.0402 372 LYS B CA 2889 C C . LYS B 43 ? 0.4623 0.5404 0.5293 -0.0364 -0.0062 -0.0368 372 LYS B C 2890 O O . LYS B 43 ? 0.4047 0.4818 0.4732 -0.0344 -0.0042 -0.0359 372 LYS B O 2891 C CB . LYS B 43 ? 0.4554 0.5296 0.5082 -0.0319 -0.0070 -0.0408 372 LYS B CB 2892 C CG . LYS B 43 ? 0.5426 0.6224 0.5971 -0.0274 -0.0044 -0.0391 372 LYS B CG 2893 C CD . LYS B 43 ? 0.5542 0.6392 0.6038 -0.0238 -0.0039 -0.0397 372 LYS B CD 2894 C CE . LYS B 43 ? 0.6549 0.7463 0.7053 -0.0194 -0.0013 -0.0383 372 LYS B CE 2895 N NZ . LYS B 43 ? 0.6872 0.7840 0.7316 -0.0150 -0.0005 -0.0394 372 LYS B NZ 2896 N N . ALA B 44 ? 0.3572 0.4422 0.4296 -0.0388 -0.0077 -0.0351 373 ALA B N 2897 C CA . ALA B 44 ? 0.3436 0.4342 0.4236 -0.0390 -0.0070 -0.0320 373 ALA B CA 2898 C C . ALA B 44 ? 0.4022 0.4903 0.4863 -0.0411 -0.0065 -0.0318 373 ALA B C 2899 O O . ALA B 44 ? 0.4197 0.5083 0.5073 -0.0399 -0.0048 -0.0302 373 ALA B O 2900 C CB . ALA B 44 ? 0.3311 0.4283 0.4143 -0.0402 -0.0090 -0.0303 373 ALA B CB 2901 N N . ILE B 45 ? 0.3852 0.4711 0.4687 -0.0446 -0.0079 -0.0333 374 ILE B N 2902 C CA . ILE B 45 ? 0.3499 0.4342 0.4367 -0.0474 -0.0074 -0.0331 374 ILE B CA 2903 C C . ILE B 45 ? 0.3615 0.4377 0.4446 -0.0457 -0.0052 -0.0338 374 ILE B C 2904 O O . ILE B 45 ? 0.4364 0.5129 0.5235 -0.0458 -0.0037 -0.0325 374 ILE B O 2905 C CB . ILE B 45 ? 0.4221 0.5055 0.5074 -0.0526 -0.0096 -0.0347 374 ILE B CB 2906 C CG1 . ILE B 45 ? 0.4049 0.4984 0.4952 -0.0540 -0.0118 -0.0336 374 ILE B CG1 2907 C CG2 . ILE B 45 ? 0.3175 0.3988 0.4049 -0.0561 -0.0087 -0.0345 374 ILE B CG2 2908 C CD1 . ILE B 45 ? 0.3146 0.4091 0.4029 -0.0596 -0.0145 -0.0351 374 ILE B CD1 2909 N N . ASP B 46 ? 0.4690 0.5379 0.5441 -0.0437 -0.0050 -0.0359 375 ASP B N 2910 C CA . ASP B 46 ? 0.4895 0.5502 0.5599 -0.0412 -0.0032 -0.0366 375 ASP B CA 2911 C C . ASP B 46 ? 0.4976 0.5635 0.5724 -0.0373 -0.0010 -0.0345 375 ASP B C 2912 O O . ASP B 46 ? 0.5255 0.5887 0.6014 -0.0367 0.0005 -0.0338 375 ASP B O 2913 C CB . ASP B 46 ? 0.4900 0.5419 0.5497 -0.0384 -0.0035 -0.0394 375 ASP B CB 2914 C CG . ASP B 46 ? 0.6482 0.6918 0.7012 -0.0430 -0.0058 -0.0418 375 ASP B CG 2915 O OD1 . ASP B 46 ? 0.5827 0.6262 0.6388 -0.0488 -0.0068 -0.0413 375 ASP B OD1 2916 O OD2 . ASP B 46 ? 0.6808 0.7183 0.7250 -0.0410 -0.0067 -0.0442 375 ASP B OD2 2917 N N . GLY B 47 ? 0.4407 0.5139 0.5173 -0.0352 -0.0011 -0.0334 376 GLY B N 2918 C CA . GLY B 47 ? 0.3617 0.4404 0.4416 -0.0326 0.0006 -0.0312 376 GLY B CA 2919 C C . GLY B 47 ? 0.4010 0.4825 0.4879 -0.0346 0.0011 -0.0289 376 GLY B C 2920 O O . GLY B 47 ? 0.3767 0.4578 0.4649 -0.0333 0.0027 -0.0279 376 GLY B O 2921 N N . ILE B 48 ? 0.4316 0.5161 0.5225 -0.0373 -0.0004 -0.0283 377 ILE B N 2922 C CA . ILE B 48 ? 0.4461 0.5334 0.5428 -0.0383 -0.0001 -0.0263 377 ILE B CA 2923 C C . ILE B 48 ? 0.4778 0.5614 0.5761 -0.0399 0.0010 -0.0268 377 ILE B C 2924 O O . ILE B 48 ? 0.4841 0.5681 0.5854 -0.0394 0.0023 -0.0255 377 ILE B O 2925 C CB . ILE B 48 ? 0.4507 0.5433 0.5507 -0.0395 -0.0020 -0.0254 377 ILE B CB 2926 C CG1 . ILE B 48 ? 0.4431 0.5387 0.5418 -0.0379 -0.0026 -0.0238 377 ILE B CG1 2927 C CG2 . ILE B 48 ? 0.4174 0.5124 0.5228 -0.0400 -0.0018 -0.0241 377 ILE B CG2 2928 C CD1 . ILE B 48 ? 0.5907 0.6901 0.6897 -0.0386 -0.0050 -0.0236 377 ILE B CD1 2929 N N . THR B 49 ? 0.4422 0.5217 0.5376 -0.0422 0.0003 -0.0287 378 THR B N 2930 C CA . THR B 49 ? 0.4497 0.5243 0.5447 -0.0444 0.0012 -0.0292 378 THR B CA 2931 C C . THR B 49 ? 0.4426 0.5117 0.5345 -0.0415 0.0032 -0.0291 378 THR B C 2932 O O . THR B 49 ? 0.4628 0.5304 0.5566 -0.0421 0.0046 -0.0282 378 THR B O 2933 C CB . THR B 49 ? 0.4568 0.5257 0.5465 -0.0480 -0.0002 -0.0314 378 THR B CB 2934 O OG1 . THR B 49 ? 0.4457 0.5212 0.5387 -0.0511 -0.0022 -0.0314 378 THR B OG1 2935 C CG2 . THR B 49 ? 0.3588 0.4216 0.4469 -0.0510 0.0007 -0.0316 378 THR B CG2 2936 N N . ASN B 50 ? 0.4186 0.4857 0.5058 -0.0380 0.0034 -0.0298 379 ASN B N 2937 C CA . ASN B 50 ? 0.3968 0.4606 0.4811 -0.0346 0.0051 -0.0296 379 ASN B CA 2938 C C . ASN B 50 ? 0.4360 0.5059 0.5257 -0.0335 0.0063 -0.0272 379 ASN B C 2939 O O . ASN B 50 ? 0.4270 0.4948 0.5165 -0.0324 0.0077 -0.0265 379 ASN B O 2940 C CB . ASN B 50 ? 0.4154 0.4778 0.4935 -0.0305 0.0050 -0.0310 379 ASN B CB 2941 C CG . ASN B 50 ? 0.5135 0.5712 0.5869 -0.0264 0.0065 -0.0313 379 ASN B CG 2942 O OD1 . ASN B 50 ? 0.6279 0.6757 0.6944 -0.0255 0.0063 -0.0330 379 ASN B OD1 2943 N ND2 . ASN B 50 ? 0.4440 0.5083 0.5205 -0.0240 0.0077 -0.0295 379 ASN B ND2 2944 N N . LYS B 51 ? 0.3886 0.4652 0.4821 -0.0342 0.0055 -0.0259 380 LYS B N 2945 C CA . LYS B 51 ? 0.4109 0.4916 0.5078 -0.0338 0.0062 -0.0236 380 LYS B CA 2946 C C . LYS B 51 ? 0.4712 0.5508 0.5721 -0.0354 0.0069 -0.0228 380 LYS B C 2947 O O . LYS B 51 ? 0.4085 0.4875 0.5101 -0.0348 0.0081 -0.0217 380 LYS B O 2948 C CB . LYS B 51 ? 0.4003 0.4863 0.4984 -0.0342 0.0049 -0.0224 380 LYS B CB 2949 C CG . LYS B 51 ? 0.4284 0.5163 0.5284 -0.0346 0.0052 -0.0200 380 LYS B CG 2950 C CD . LYS B 51 ? 0.4422 0.5329 0.5424 -0.0354 0.0035 -0.0187 380 LYS B CD 2951 C CE . LYS B 51 ? 0.4871 0.5814 0.5840 -0.0352 0.0031 -0.0182 380 LYS B CE 2952 N NZ . LYS B 51 ? 0.4907 0.5863 0.5865 -0.0366 0.0017 -0.0160 380 LYS B NZ 2953 N N . VAL B 52 ? 0.4277 0.5079 0.5309 -0.0375 0.0060 -0.0234 381 VAL B N 2954 C CA . VAL B 52 ? 0.4240 0.5048 0.5311 -0.0389 0.0067 -0.0228 381 VAL B CA 2955 C C . VAL B 52 ? 0.4077 0.4832 0.5130 -0.0395 0.0083 -0.0232 381 VAL B C 2956 O O . VAL B 52 ? 0.4159 0.4913 0.5229 -0.0390 0.0097 -0.0222 381 VAL B O 2957 C CB . VAL B 52 ? 0.4146 0.4993 0.5246 -0.0413 0.0054 -0.0234 381 VAL B CB 2958 C CG1 . VAL B 52 ? 0.3267 0.4133 0.4404 -0.0429 0.0064 -0.0230 381 VAL B CG1 2959 C CG2 . VAL B 52 ? 0.3459 0.4358 0.4578 -0.0401 0.0037 -0.0226 381 VAL B CG2 2960 N N . ASN B 53 ? 0.3897 0.4599 0.4905 -0.0402 0.0081 -0.0248 382 ASN B N 2961 C CA . ASN B 53 ? 0.3801 0.4436 0.4776 -0.0406 0.0094 -0.0251 382 ASN B CA 2962 C C . ASN B 53 ? 0.4123 0.4744 0.5082 -0.0371 0.0108 -0.0242 382 ASN B C 2963 O O . ASN B 53 ? 0.4963 0.5552 0.5917 -0.0372 0.0120 -0.0236 382 ASN B O 2964 C CB . ASN B 53 ? 0.3324 0.3880 0.4232 -0.0418 0.0086 -0.0270 382 ASN B CB 2965 C CG . ASN B 53 ? 0.4328 0.4894 0.5246 -0.0467 0.0072 -0.0278 382 ASN B CG 2966 O OD1 . ASN B 53 ? 0.4233 0.4862 0.5209 -0.0493 0.0074 -0.0267 382 ASN B OD1 2967 N ND2 . ASN B 53 ? 0.5265 0.5771 0.6120 -0.0480 0.0057 -0.0296 382 ASN B ND2 2968 N N . SER B 54 ? 0.3986 0.4638 0.4935 -0.0343 0.0104 -0.0240 383 SER B N 2969 C CA . SER B 54 ? 0.3836 0.4498 0.4772 -0.0314 0.0115 -0.0229 383 SER B CA 2970 C C . SER B 54 ? 0.4091 0.4786 0.5069 -0.0324 0.0122 -0.0211 383 SER B C 2971 O O . SER B 54 ? 0.4689 0.5372 0.5660 -0.0315 0.0133 -0.0203 383 SER B O 2972 C CB . SER B 54 ? 0.4051 0.4759 0.4967 -0.0287 0.0110 -0.0230 383 SER B CB 2973 O OG . SER B 54 ? 0.4888 0.5555 0.5752 -0.0266 0.0105 -0.0250 383 SER B OG 2974 N N . ILE B 55 ? 0.4032 0.4764 0.5046 -0.0340 0.0114 -0.0204 384 ILE B N 2975 C CA . ILE B 55 ? 0.3912 0.4657 0.4951 -0.0345 0.0119 -0.0189 384 ILE B CA 2976 C C . ILE B 55 ? 0.4323 0.5039 0.5376 -0.0355 0.0132 -0.0191 384 ILE B C 2977 O O . ILE B 55 ? 0.4529 0.5232 0.5579 -0.0352 0.0143 -0.0182 384 ILE B O 2978 C CB . ILE B 55 ? 0.3820 0.4596 0.4881 -0.0351 0.0106 -0.0184 384 ILE B CB 2979 C CG1 . ILE B 55 ? 0.3139 0.3942 0.4178 -0.0347 0.0094 -0.0177 384 ILE B CG1 2980 C CG2 . ILE B 55 ? 0.3225 0.3994 0.4299 -0.0351 0.0110 -0.0172 384 ILE B CG2 2981 C CD1 . ILE B 55 ? 0.3246 0.4069 0.4294 -0.0352 0.0078 -0.0172 384 ILE B CD1 2982 N N . ILE B 56 ? 0.4257 0.4967 0.5321 -0.0372 0.0130 -0.0202 385 ILE B N 2983 C CA . ILE B 56 ? 0.4561 0.5255 0.5636 -0.0390 0.0142 -0.0202 385 ILE B CA 2984 C C . ILE B 56 ? 0.4973 0.5608 0.6009 -0.0385 0.0154 -0.0201 385 ILE B C 2985 O O . ILE B 56 ? 0.5656 0.6280 0.6697 -0.0390 0.0168 -0.0194 385 ILE B O 2986 C CB . ILE B 56 ? 0.4502 0.5207 0.5588 -0.0420 0.0135 -0.0213 385 ILE B CB 2987 C CG1 . ILE B 56 ? 0.4180 0.4960 0.5316 -0.0421 0.0126 -0.0209 385 ILE B CG1 2988 C CG2 . ILE B 56 ? 0.3397 0.4072 0.4474 -0.0448 0.0148 -0.0213 385 ILE B CG2 2989 C CD1 . ILE B 56 ? 0.3428 0.4244 0.4579 -0.0452 0.0114 -0.0218 385 ILE B CD1 2990 N N . ASN B 57 ? 0.4841 0.5440 0.5833 -0.0369 0.0149 -0.0209 386 ASN B N 2991 C CA . ASN B 57 ? 0.4880 0.5421 0.5826 -0.0353 0.0158 -0.0207 386 ASN B CA 2992 C C . ASN B 57 ? 0.4865 0.5432 0.5815 -0.0330 0.0166 -0.0193 386 ASN B C 2993 O O . ASN B 57 ? 0.5659 0.6192 0.6589 -0.0325 0.0176 -0.0187 386 ASN B O 2994 C CB . ASN B 57 ? 0.5120 0.5609 0.6006 -0.0333 0.0150 -0.0221 386 ASN B CB 2995 C CG . ASN B 57 ? 0.7077 0.7504 0.7932 -0.0365 0.0143 -0.0235 386 ASN B CG 2996 O OD1 . ASN B 57 ? 0.8359 0.8780 0.9233 -0.0404 0.0147 -0.0231 386 ASN B OD1 2997 N ND2 . ASN B 57 ? 0.6889 0.7271 0.7691 -0.0350 0.0131 -0.0251 386 ASN B ND2 2998 N N . LYS B 58 ? 0.5093 0.5717 0.6062 -0.0320 0.0159 -0.0187 387 LYS B N 2999 C CA . LYS B 58 ? 0.4965 0.5618 0.5931 -0.0309 0.0163 -0.0173 387 LYS B CA 3000 C C . LYS B 58 ? 0.5340 0.5989 0.6328 -0.0327 0.0171 -0.0163 387 LYS B C 3001 O O . LYS B 58 ? 0.5288 0.5937 0.6264 -0.0324 0.0176 -0.0153 387 LYS B O 3002 C CB . LYS B 58 ? 0.4712 0.5427 0.5682 -0.0305 0.0152 -0.0166 387 LYS B CB 3003 C CG . LYS B 58 ? 0.4359 0.5093 0.5304 -0.0279 0.0147 -0.0175 387 LYS B CG 3004 C CD . LYS B 58 ? 0.4514 0.5215 0.5421 -0.0248 0.0155 -0.0179 387 LYS B CD 3005 C CE . LYS B 58 ? 0.5251 0.5954 0.6118 -0.0210 0.0151 -0.0192 387 LYS B CE 3006 N NZ . LYS B 58 ? 0.5064 0.5699 0.5879 -0.0176 0.0156 -0.0199 387 LYS B NZ 3007 N N . MET B 59 ? 0.5333 0.5983 0.6351 -0.0343 0.0171 -0.0167 388 MET B N 3008 C CA . MET B 59 ? 0.5612 0.6259 0.6646 -0.0351 0.0179 -0.0161 388 MET B CA 3009 C C . MET B 59 ? 0.4928 0.5547 0.5963 -0.0361 0.0195 -0.0164 388 MET B C 3010 O O . MET B 59 ? 0.5137 0.5765 0.6189 -0.0366 0.0204 -0.0162 388 MET B O 3011 C CB . MET B 59 ? 0.4752 0.5426 0.5814 -0.0353 0.0171 -0.0163 388 MET B CB 3012 C CG . MET B 59 ? 0.3995 0.4685 0.5046 -0.0349 0.0156 -0.0157 388 MET B CG 3013 S SD . MET B 59 ? 0.5458 0.6125 0.6476 -0.0350 0.0155 -0.0142 388 MET B SD 3014 C CE . MET B 59 ? 0.4263 0.4941 0.5262 -0.0356 0.0133 -0.0133 388 MET B CE 3015 N N . ASN B 60 ? 0.6503 0.7085 0.7511 -0.0362 0.0197 -0.0168 389 ASN B N 3016 C CA . ASN B 60 ? 0.6737 0.7281 0.7733 -0.0381 0.0209 -0.0170 389 ASN B CA 3017 C C . ASN B 60 ? 0.6628 0.7141 0.7598 -0.0375 0.0222 -0.0160 389 ASN B C 3018 O O . ASN B 60 ? 0.6960 0.7422 0.7898 -0.0387 0.0229 -0.0159 389 ASN B O 3019 C CB . ASN B 60 ? 0.7658 0.8153 0.8617 -0.0387 0.0201 -0.0179 389 ASN B CB 3020 C CG . ASN B 60 ? 0.9736 1.0188 1.0676 -0.0423 0.0209 -0.0180 389 ASN B CG 3021 O OD1 . ASN B 60 ? 1.0432 1.0923 1.1407 -0.0448 0.0220 -0.0175 389 ASN B OD1 3022 N ND2 . ASN B 60 ? 1.0092 1.0461 1.0969 -0.0427 0.0203 -0.0186 389 ASN B ND2 3023 N N . THR B 61 ? 0.5903 0.6438 0.6878 -0.0361 0.0223 -0.0152 390 THR B N 3024 C CA . THR B 61 ? 0.5508 0.6021 0.6463 -0.0360 0.0236 -0.0142 390 THR B CA 3025 C C . THR B 61 ? 0.5471 0.6009 0.6449 -0.0365 0.0243 -0.0140 390 THR B C 3026 O O . THR B 61 ? 0.5110 0.5679 0.6112 -0.0362 0.0236 -0.0144 390 THR B O 3027 C CB . THR B 61 ? 0.5739 0.6251 0.6664 -0.0339 0.0229 -0.0134 390 THR B CB 3028 O OG1 . THR B 61 ? 0.5928 0.6483 0.6866 -0.0336 0.0218 -0.0131 390 THR B OG1 3029 C CG2 . THR B 61 ? 0.4815 0.5301 0.5708 -0.0320 0.0222 -0.0138 390 THR B CG2 3030 N N . GLN B 62 ? 0.5246 0.5766 0.6209 -0.0369 0.0258 -0.0135 391 GLN B N 3031 C CA . GLN B 62 ? 0.4945 0.5481 0.5917 -0.0365 0.0267 -0.0135 391 GLN B CA 3032 C C . GLN B 62 ? 0.5152 0.5659 0.6086 -0.0360 0.0271 -0.0127 391 GLN B C 3033 O O . GLN B 62 ? 0.5265 0.5747 0.6175 -0.0365 0.0278 -0.0121 391 GLN B O 3034 C CB . GLN B 62 ? 0.5299 0.5860 0.6296 -0.0377 0.0285 -0.0139 391 GLN B CB 3035 C CG . GLN B 62 ? 0.4739 0.5347 0.5777 -0.0385 0.0279 -0.0146 391 GLN B CG 3036 C CD . GLN B 62 ? 0.5515 0.6102 0.6547 -0.0408 0.0272 -0.0148 391 GLN B CD 3037 O OE1 . GLN B 62 ? 0.5433 0.5979 0.6435 -0.0426 0.0280 -0.0143 391 GLN B OE1 3038 N NE2 . GLN B 62 ? 0.5971 0.6575 0.7021 -0.0407 0.0256 -0.0154 391 GLN B NE2 3039 N N . PHE B 63 ? 0.4913 0.5416 0.5833 -0.0352 0.0265 -0.0127 392 PHE B N 3040 C CA . PHE B 63 ? 0.4725 0.5198 0.5603 -0.0352 0.0270 -0.0122 392 PHE B CA 3041 C C . PHE B 63 ? 0.5357 0.5826 0.6234 -0.0347 0.0293 -0.0126 392 PHE B C 3042 O O . PHE B 63 ? 0.5860 0.6352 0.6758 -0.0334 0.0299 -0.0134 392 PHE B O 3043 C CB . PHE B 63 ? 0.4302 0.4754 0.5147 -0.0352 0.0253 -0.0121 392 PHE B CB 3044 C CG . PHE B 63 ? 0.5072 0.5483 0.5865 -0.0355 0.0257 -0.0118 392 PHE B CG 3045 C CD1 . PHE B 63 ? 0.3621 0.4031 0.4387 -0.0370 0.0251 -0.0108 392 PHE B CD1 3046 C CD2 . PHE B 63 ? 0.4752 0.5131 0.5519 -0.0340 0.0266 -0.0127 392 PHE B CD2 3047 C CE1 . PHE B 63 ? 0.4203 0.4576 0.4917 -0.0377 0.0252 -0.0105 392 PHE B CE1 3048 C CE2 . PHE B 63 ? 0.4695 0.5027 0.5404 -0.0343 0.0269 -0.0126 392 PHE B CE2 3049 C CZ . PHE B 63 ? 0.4440 0.4768 0.5123 -0.0365 0.0262 -0.0115 392 PHE B CZ 3050 N N . GLU B 64 ? 0.6411 0.6861 0.7262 -0.0354 0.0305 -0.0120 393 GLU B N 3051 C CA . GLU B 64 ? 0.7047 0.7507 0.7899 -0.0352 0.0329 -0.0123 393 GLU B CA 3052 C C . GLU B 64 ? 0.6101 0.6528 0.6904 -0.0339 0.0334 -0.0125 393 GLU B C 3053 O O . GLU B 64 ? 0.6714 0.7108 0.7476 -0.0347 0.0332 -0.0118 393 GLU B O 3054 C CB . GLU B 64 ? 0.8130 0.8581 0.8975 -0.0372 0.0341 -0.0114 393 GLU B CB 3055 C CG . GLU B 64 ? 0.9172 0.9622 1.0037 -0.0384 0.0331 -0.0111 393 GLU B CG 3056 C CD . GLU B 64 ? 0.9177 0.9658 1.0073 -0.0406 0.0343 -0.0113 393 GLU B CD 3057 O OE1 . GLU B 64 ? 0.9239 0.9748 1.0140 -0.0416 0.0364 -0.0112 393 GLU B OE1 3058 O OE2 . GLU B 64 ? 1.0160 1.0642 1.1073 -0.0415 0.0331 -0.0116 393 GLU B OE2 3059 N N . ALA B 65 ? 0.4059 0.4495 0.4862 -0.0316 0.0341 -0.0136 394 ALA B N 3060 C CA . ALA B 65 ? 0.4668 0.5067 0.5416 -0.0297 0.0350 -0.0142 394 ALA B CA 3061 C C . ALA B 65 ? 0.5037 0.5463 0.5785 -0.0300 0.0379 -0.0140 394 ALA B C 3062 O O . ALA B 65 ? 0.4991 0.5476 0.5788 -0.0312 0.0394 -0.0137 394 ALA B O 3063 C CB . ALA B 65 ? 0.4072 0.4467 0.4812 -0.0260 0.0348 -0.0156 394 ALA B CB 3064 N N . VAL B 66 ? 0.5310 0.5691 0.5998 -0.0296 0.0385 -0.0141 395 VAL B N 3065 C CA . VAL B 66 ? 0.6456 0.6861 0.7135 -0.0296 0.0413 -0.0139 395 VAL B CA 3066 C C . VAL B 66 ? 0.6213 0.6592 0.6837 -0.0259 0.0425 -0.0154 395 VAL B C 3067 O O . VAL B 66 ? 0.7780 0.8087 0.8348 -0.0246 0.0405 -0.0161 395 VAL B O 3068 C CB . VAL B 66 ? 0.6142 0.6515 0.6791 -0.0326 0.0412 -0.0124 395 VAL B CB 3069 C CG1 . VAL B 66 ? 0.5458 0.5837 0.6142 -0.0351 0.0397 -0.0112 395 VAL B CG1 3070 C CG2 . VAL B 66 ? 0.5758 0.6061 0.6336 -0.0324 0.0396 -0.0126 395 VAL B CG2 3071 N N . ASP B 67 ? 0.7115 0.7548 0.7745 -0.0242 0.0455 -0.0158 396 ASP B N 3072 C CA . ASP B 67 ? 0.9122 0.9513 0.9680 -0.0202 0.0465 -0.0173 396 ASP B CA 3073 C C . ASP B 67 ? 0.7202 0.7586 0.7721 -0.0220 0.0485 -0.0166 396 ASP B C 3074 O O . ASP B 67 ? 0.6758 0.7195 0.7272 -0.0201 0.0515 -0.0171 396 ASP B O 3075 C CB . ASP B 67 ? 0.9343 0.9798 0.9918 -0.0148 0.0484 -0.0188 396 ASP B CB 3076 C CG . ASP B 67 ? 0.9962 1.0337 1.0442 -0.0093 0.0484 -0.0208 396 ASP B CG 3077 O OD1 . ASP B 67 ? 1.0594 1.0898 1.0999 -0.0100 0.0486 -0.0210 396 ASP B OD1 3078 O OD2 . ASP B 67 ? 1.0720 1.1090 1.1189 -0.0041 0.0478 -0.0222 396 ASP B OD2 3079 N N . HIS B 68 ? 0.5262 0.5587 0.5754 -0.0256 0.0466 -0.0154 397 HIS B N 3080 C CA . HIS B 68 ? 0.5023 0.5301 0.5447 -0.0267 0.0471 -0.0150 397 HIS B CA 3081 C C . HIS B 68 ? 0.5472 0.5685 0.5814 -0.0229 0.0471 -0.0171 397 HIS B C 3082 O O . HIS B 68 ? 0.5607 0.5776 0.5930 -0.0207 0.0452 -0.0183 397 HIS B O 3083 C CB . HIS B 68 ? 0.4317 0.4548 0.4725 -0.0304 0.0443 -0.0135 397 HIS B CB 3084 C CG . HIS B 68 ? 0.4609 0.4882 0.5071 -0.0334 0.0446 -0.0115 397 HIS B CG 3085 N ND1 . HIS B 68 ? 0.4913 0.5172 0.5390 -0.0355 0.0419 -0.0103 397 HIS B ND1 3086 C CD2 . HIS B 68 ? 0.4593 0.4917 0.5087 -0.0347 0.0470 -0.0106 397 HIS B CD2 3087 C CE1 . HIS B 68 ? 0.5333 0.5616 0.5841 -0.0372 0.0427 -0.0088 397 HIS B CE1 3088 N NE2 . HIS B 68 ? 0.5577 0.5894 0.6093 -0.0374 0.0457 -0.0089 397 HIS B NE2 3089 N N . GLU B 69 ? 0.5321 0.5518 0.5603 -0.0219 0.0491 -0.0175 398 GLU B N 3090 C CA . GLU B 69 ? 0.5635 0.5755 0.5822 -0.0178 0.0491 -0.0198 398 GLU B CA 3091 C C . GLU B 69 ? 0.5321 0.5337 0.5418 -0.0208 0.0465 -0.0196 398 GLU B C 3092 O O . GLU B 69 ? 0.5035 0.5060 0.5147 -0.0254 0.0454 -0.0177 398 GLU B O 3093 C CB . GLU B 69 ? 0.5809 0.5982 0.5977 -0.0139 0.0531 -0.0208 398 GLU B CB 3094 C CG . GLU B 69 ? 0.5763 0.6045 0.6005 -0.0099 0.0554 -0.0215 398 GLU B CG 3095 C CD . GLU B 69 ? 0.7268 0.7621 0.7489 -0.0054 0.0595 -0.0226 398 GLU B CD 3096 O OE1 . GLU B 69 ? 0.7179 0.7520 0.7352 -0.0070 0.0612 -0.0222 398 GLU B OE1 3097 O OE2 . GLU B 69 ? 0.7866 0.8295 0.8118 -0.0001 0.0612 -0.0238 398 GLU B OE2 3098 N N . PHE B 70 ? 0.5437 0.5352 0.5433 -0.0182 0.0452 -0.0216 399 PHE B N 3099 C CA . PHE B 70 ? 0.5300 0.5111 0.5198 -0.0216 0.0424 -0.0216 399 PHE B CA 3100 C C . PHE B 70 ? 0.5365 0.5083 0.5138 -0.0177 0.0434 -0.0241 399 PHE B C 3101 O O . PHE B 70 ? 0.5861 0.5537 0.5593 -0.0120 0.0440 -0.0263 399 PHE B O 3102 C CB . PHE B 70 ? 0.4442 0.4193 0.4328 -0.0246 0.0382 -0.0212 399 PHE B CB 3103 C CG . PHE B 70 ? 0.4780 0.4621 0.4780 -0.0279 0.0373 -0.0190 399 PHE B CG 3104 C CD1 . PHE B 70 ? 0.4036 0.3909 0.4058 -0.0328 0.0358 -0.0169 399 PHE B CD1 3105 C CD2 . PHE B 70 ? 0.4606 0.4500 0.4686 -0.0256 0.0378 -0.0191 399 PHE B CD2 3106 C CE1 . PHE B 70 ? 0.3887 0.3836 0.4003 -0.0349 0.0349 -0.0151 399 PHE B CE1 3107 C CE2 . PHE B 70 ? 0.4042 0.4010 0.4218 -0.0284 0.0369 -0.0173 399 PHE B CE2 3108 C CZ . PHE B 70 ? 0.4168 0.4159 0.4358 -0.0328 0.0355 -0.0154 399 PHE B CZ 3109 N N . SER B 71 ? 0.5409 0.5092 0.5115 -0.0202 0.0433 -0.0239 400 SER B N 3110 C CA . SER B 71 ? 0.6028 0.5617 0.5605 -0.0166 0.0443 -0.0263 400 SER B CA 3111 C C . SER B 71 ? 0.6187 0.5617 0.5639 -0.0168 0.0406 -0.0281 400 SER B C 3112 O O . SER B 71 ? 0.5775 0.5180 0.5247 -0.0204 0.0373 -0.0271 400 SER B O 3113 C CB . SER B 71 ? 0.5378 0.4970 0.4913 -0.0200 0.0449 -0.0254 400 SER B CB 3114 O OG . SER B 71 ? 0.5460 0.4996 0.4953 -0.0264 0.0408 -0.0241 400 SER B OG 3115 N N . ASN B 72 ? 0.8198 0.7516 0.7512 -0.0131 0.0410 -0.0307 401 ASN B N 3116 C CA . ASN B 72 ? 0.7819 0.6958 0.6986 -0.0133 0.0374 -0.0325 401 ASN B CA 3117 C C . ASN B 72 ? 0.7671 0.6738 0.6773 -0.0224 0.0330 -0.0311 401 ASN B C 3118 O O . ASN B 72 ? 0.8056 0.6988 0.7054 -0.0254 0.0292 -0.0317 401 ASN B O 3119 C CB . ASN B 72 ? 0.8613 0.7643 0.7639 -0.0057 0.0393 -0.0360 401 ASN B CB 3120 C CG . ASN B 72 ? 1.0186 0.9252 0.9181 -0.0058 0.0420 -0.0363 401 ASN B CG 3121 O OD1 . ASN B 72 ? 1.0349 0.9567 0.9464 -0.0076 0.0446 -0.0342 401 ASN B OD1 3122 N ND2 . ASN B 72 ? 1.0120 0.9034 0.8942 -0.0039 0.0412 -0.0389 401 ASN B ND2 3123 N N . LEU B 73 ? 0.6922 0.6085 0.6086 -0.0272 0.0335 -0.0290 402 LEU B N 3124 C CA . LEU B 73 ? 0.6752 0.5892 0.5881 -0.0358 0.0294 -0.0271 402 LEU B CA 3125 C C . LEU B 73 ? 0.6260 0.5521 0.5528 -0.0404 0.0279 -0.0240 402 LEU B C 3126 O O . LEU B 73 ? 0.5667 0.4966 0.4944 -0.0469 0.0251 -0.0219 402 LEU B O 3127 C CB . LEU B 73 ? 0.6507 0.5671 0.5600 -0.0378 0.0304 -0.0266 402 LEU B CB 3128 C CG . LEU B 73 ? 0.7423 0.6444 0.6345 -0.0351 0.0308 -0.0297 402 LEU B CG 3129 C CD1 . LEU B 73 ? 0.5711 0.4769 0.4607 -0.0371 0.0319 -0.0290 402 LEU B CD1 3130 C CD2 . LEU B 73 ? 0.6957 0.5803 0.5725 -0.0394 0.0260 -0.0310 402 LEU B CD2 3131 N N . GLU B 74 ? 0.6129 0.5457 0.5501 -0.0366 0.0296 -0.0238 403 GLU B N 3132 C CA . GLU B 74 ? 0.6220 0.5650 0.5714 -0.0400 0.0282 -0.0213 403 GLU B CA 3133 C C . GLU B 74 ? 0.5917 0.5298 0.5412 -0.0387 0.0267 -0.0221 403 GLU B C 3134 O O . GLU B 74 ? 0.5530 0.4999 0.5139 -0.0375 0.0275 -0.0210 403 GLU B O 3135 C CB . GLU B 74 ? 0.5849 0.5421 0.5481 -0.0374 0.0317 -0.0199 403 GLU B CB 3136 C CG . GLU B 74 ? 0.5305 0.4924 0.4937 -0.0390 0.0330 -0.0187 403 GLU B CG 3137 C CD . GLU B 74 ? 0.5758 0.5492 0.5504 -0.0367 0.0365 -0.0174 403 GLU B CD 3138 O OE1 . GLU B 74 ? 0.5399 0.5161 0.5185 -0.0321 0.0395 -0.0186 403 GLU B OE1 3139 O OE2 . GLU B 74 ? 0.5593 0.5390 0.5383 -0.0396 0.0360 -0.0151 403 GLU B OE2 3140 N N . ARG B 75 ? 0.6078 0.5306 0.5433 -0.0392 0.0243 -0.0238 404 ARG B N 3141 C CA . ARG B 75 ? 0.6357 0.5506 0.5680 -0.0383 0.0224 -0.0244 404 ARG B CA 3142 C C . ARG B 75 ? 0.5919 0.5132 0.5311 -0.0450 0.0193 -0.0218 404 ARG B C 3143 O O . ARG B 75 ? 0.6519 0.5757 0.5971 -0.0434 0.0191 -0.0215 404 ARG B O 3144 C CB . ARG B 75 ? 0.6818 0.5763 0.5947 -0.0383 0.0199 -0.0267 404 ARG B CB 3145 C CG . ARG B 75 ? 0.7914 0.6741 0.6973 -0.0388 0.0169 -0.0271 404 ARG B CG 3146 C CD . ARG B 75 ? 0.8023 0.6619 0.6865 -0.0382 0.0146 -0.0295 404 ARG B CD 3147 N NE . ARG B 75 ? 0.8465 0.6978 0.7253 -0.0274 0.0168 -0.0324 404 ARG B NE 3148 C CZ . ARG B 75 ? 0.9126 0.7619 0.7869 -0.0198 0.0201 -0.0349 404 ARG B CZ 3149 N NH1 . ARG B 75 ? 0.9511 0.8046 0.8249 -0.0221 0.0214 -0.0349 404 ARG B NH1 3150 N NH2 . ARG B 75 ? 0.9950 0.8385 0.8648 -0.0095 0.0220 -0.0373 404 ARG B NH2 3151 N N . ARG B 76 ? 0.4789 0.4038 0.4173 -0.0523 0.0169 -0.0199 405 ARG B N 3152 C CA . ARG B 76 ? 0.4802 0.4129 0.4246 -0.0587 0.0141 -0.0174 405 ARG B CA 3153 C C . ARG B 76 ? 0.4489 0.3978 0.4105 -0.0560 0.0163 -0.0159 405 ARG B C 3154 O O . ARG B 76 ? 0.4604 0.4123 0.4272 -0.0566 0.0153 -0.0151 405 ARG B O 3155 C CB . ARG B 76 ? 0.4552 0.3905 0.3952 -0.0665 0.0111 -0.0156 405 ARG B CB 3156 C CG . ARG B 76 ? 0.4958 0.4146 0.4179 -0.0719 0.0076 -0.0166 405 ARG B CG 3157 C CD . ARG B 76 ? 0.4626 0.3851 0.3801 -0.0790 0.0052 -0.0151 405 ARG B CD 3158 N NE . ARG B 76 ? 0.5006 0.4292 0.4221 -0.0749 0.0082 -0.0155 405 ARG B NE 3159 C CZ . ARG B 76 ? 0.5031 0.4440 0.4298 -0.0780 0.0076 -0.0134 405 ARG B CZ 3160 N NH1 . ARG B 76 ? 0.4929 0.4431 0.4223 -0.0850 0.0043 -0.0109 405 ARG B NH1 3161 N NH2 . ARG B 76 ? 0.4352 0.3798 0.3643 -0.0740 0.0104 -0.0138 405 ARG B NH2 3162 N N . ILE B 77 ? 0.4852 0.4435 0.4545 -0.0533 0.0192 -0.0154 406 ILE B N 3163 C CA . ILE B 77 ? 0.5053 0.4768 0.4890 -0.0510 0.0210 -0.0141 406 ILE B CA 3164 C C . ILE B 77 ? 0.5108 0.4824 0.4999 -0.0449 0.0238 -0.0155 406 ILE B C 3165 O O . ILE B 77 ? 0.5127 0.4923 0.5117 -0.0440 0.0243 -0.0146 406 ILE B O 3166 C CB . ILE B 77 ? 0.4758 0.4563 0.4651 -0.0504 0.0229 -0.0128 406 ILE B CB 3167 C CG1 . ILE B 77 ? 0.5255 0.5021 0.5113 -0.0462 0.0262 -0.0144 406 ILE B CG1 3168 C CG2 . ILE B 77 ? 0.4948 0.4784 0.4808 -0.0560 0.0200 -0.0110 406 ILE B CG2 3169 C CD1 . ILE B 77 ? 0.5328 0.5170 0.5231 -0.0459 0.0281 -0.0130 406 ILE B CD1 3170 N N . GLY B 78 ? 0.4759 0.4392 0.4582 -0.0405 0.0255 -0.0178 407 GLY B N 3171 C CA . GLY B 78 ? 0.3984 0.3625 0.3849 -0.0345 0.0278 -0.0192 407 GLY B CA 3172 C C . GLY B 78 ? 0.5004 0.4600 0.4859 -0.0352 0.0252 -0.0192 407 GLY B C 3173 O O . GLY B 78 ? 0.4853 0.4506 0.4789 -0.0322 0.0262 -0.0192 407 GLY B O 3174 N N . ASN B 79 ? 0.5272 0.4763 0.5021 -0.0397 0.0217 -0.0190 408 ASN B N 3175 C CA . ASN B 79 ? 0.5522 0.4954 0.5240 -0.0413 0.0189 -0.0188 408 ASN B CA 3176 C C . ASN B 79 ? 0.5254 0.4799 0.5071 -0.0463 0.0174 -0.0163 408 ASN B C 3177 O O . ASN B 79 ? 0.5631 0.5189 0.5485 -0.0461 0.0164 -0.0158 408 ASN B O 3178 C CB . ASN B 79 ? 0.5712 0.4974 0.5261 -0.0450 0.0155 -0.0195 408 ASN B CB 3179 C CG . ASN B 79 ? 0.7299 0.6505 0.6811 -0.0493 0.0120 -0.0183 408 ASN B CG 3180 O OD1 . ASN B 79 ? 0.8083 0.7290 0.7561 -0.0574 0.0089 -0.0165 408 ASN B OD1 3181 N ND2 . ASN B 79 ? 0.7146 0.6316 0.6665 -0.0440 0.0124 -0.0192 408 ASN B ND2 3182 N N . LEU B 80 ? 0.5064 0.4693 0.4920 -0.0504 0.0172 -0.0147 409 LEU B N 3183 C CA . LEU B 80 ? 0.4531 0.4284 0.4484 -0.0537 0.0162 -0.0125 409 LEU B CA 3184 C C . LEU B 80 ? 0.4540 0.4382 0.4616 -0.0487 0.0189 -0.0127 409 LEU B C 3185 O O . LEU B 80 ? 0.4985 0.4881 0.5120 -0.0496 0.0180 -0.0117 409 LEU B O 3186 C CB . LEU B 80 ? 0.4568 0.4395 0.4535 -0.0570 0.0159 -0.0110 409 LEU B CB 3187 C CG . LEU B 80 ? 0.5112 0.5055 0.5136 -0.0615 0.0138 -0.0086 409 LEU B CG 3188 C CD1 . LEU B 80 ? 0.4338 0.4324 0.4336 -0.0646 0.0129 -0.0073 409 LEU B CD1 3189 C CD2 . LEU B 80 ? 0.4990 0.5041 0.5139 -0.0578 0.0157 -0.0079 409 LEU B CD2 3190 N N . ASN B 81 ? 0.4684 0.4542 0.4792 -0.0439 0.0222 -0.0138 410 ASN B N 3191 C CA . ASN B 81 ? 0.4734 0.4674 0.4949 -0.0401 0.0246 -0.0139 410 ASN B CA 3192 C C . ASN B 81 ? 0.4489 0.4400 0.4711 -0.0371 0.0244 -0.0150 410 ASN B C 3193 O O . ASN B 81 ? 0.4802 0.4779 0.5105 -0.0364 0.0246 -0.0145 410 ASN B O 3194 C CB . ASN B 81 ? 0.4358 0.4323 0.4593 -0.0367 0.0281 -0.0146 410 ASN B CB 3195 C CG . ASN B 81 ? 0.4812 0.4863 0.5150 -0.0338 0.0305 -0.0146 410 ASN B CG 3196 O OD1 . ASN B 81 ? 0.4812 0.4931 0.5219 -0.0353 0.0304 -0.0133 410 ASN B OD1 3197 N ND2 . ASN B 81 ? 0.5057 0.5104 0.5397 -0.0294 0.0326 -0.0162 410 ASN B ND2 3198 N N . LYS B 82 ? 0.4767 0.4569 0.4893 -0.0350 0.0239 -0.0165 411 LYS B N 3199 C CA . LYS B 82 ? 0.5054 0.4814 0.5168 -0.0314 0.0234 -0.0175 411 LYS B CA 3200 C C . LYS B 82 ? 0.5248 0.4998 0.5363 -0.0355 0.0202 -0.0161 411 LYS B C 3201 O O . LYS B 82 ? 0.5220 0.5015 0.5398 -0.0336 0.0202 -0.0160 411 LYS B O 3202 C CB . LYS B 82 ? 0.4488 0.4114 0.4477 -0.0276 0.0232 -0.0195 411 LYS B CB 3203 C CG . LYS B 82 ? 0.6373 0.5944 0.6336 -0.0229 0.0224 -0.0204 411 LYS B CG 3204 C CD . LYS B 82 ? 0.7830 0.7248 0.7649 -0.0182 0.0219 -0.0225 411 LYS B CD 3205 C CE . LYS B 82 ? 0.8673 0.7998 0.8431 -0.0154 0.0196 -0.0228 411 LYS B CE 3206 N NZ . LYS B 82 ? 0.9405 0.8855 0.9290 -0.0115 0.0210 -0.0225 411 LYS B NZ 3207 N N . ARG B 83 ? 0.4710 0.4411 0.4755 -0.0416 0.0174 -0.0150 412 ARG B N 3208 C CA . ARG B 83 ? 0.4772 0.4466 0.4804 -0.0464 0.0143 -0.0135 412 ARG B CA 3209 C C . ARG B 83 ? 0.4536 0.4375 0.4694 -0.0478 0.0148 -0.0119 412 ARG B C 3210 O O . ARG B 83 ? 0.4600 0.4462 0.4780 -0.0495 0.0133 -0.0110 412 ARG B O 3211 C CB . ARG B 83 ? 0.4277 0.3903 0.4204 -0.0536 0.0112 -0.0124 412 ARG B CB 3212 C CG . ARG B 83 ? 0.4924 0.4367 0.4693 -0.0537 0.0093 -0.0136 412 ARG B CG 3213 C CD . ARG B 83 ? 0.5828 0.5213 0.5497 -0.0600 0.0074 -0.0132 412 ARG B CD 3214 N NE . ARG B 83 ? 0.6900 0.6385 0.6605 -0.0679 0.0052 -0.0105 412 ARG B NE 3215 C CZ . ARG B 83 ? 0.5563 0.5137 0.5294 -0.0717 0.0051 -0.0094 412 ARG B CZ 3216 N NH1 . ARG B 83 ? 0.4795 0.4360 0.4516 -0.0690 0.0069 -0.0106 412 ARG B NH1 3217 N NH2 . ARG B 83 ? 0.5965 0.5645 0.5732 -0.0781 0.0030 -0.0070 412 ARG B NH2 3218 N N . MET B 84 ? 0.5125 0.5055 0.5355 -0.0470 0.0169 -0.0117 413 MET B N 3219 C CA . MET B 84 ? 0.5004 0.5056 0.5337 -0.0475 0.0173 -0.0104 413 MET B CA 3220 C C . MET B 84 ? 0.5113 0.5205 0.5527 -0.0429 0.0192 -0.0114 413 MET B C 3221 O O . MET B 84 ? 0.4514 0.4662 0.4983 -0.0434 0.0185 -0.0107 413 MET B O 3222 C CB . MET B 84 ? 0.4209 0.4327 0.4575 -0.0481 0.0185 -0.0097 413 MET B CB 3223 C CG . MET B 84 ? 0.4851 0.5069 0.5317 -0.0463 0.0197 -0.0091 413 MET B CG 3224 S SD . MET B 84 ? 0.6409 0.6666 0.6903 -0.0446 0.0220 -0.0088 413 MET B SD 3225 C CE . MET B 84 ? 0.6165 0.6484 0.6752 -0.0416 0.0235 -0.0089 413 MET B CE 3226 N N . GLU B 85 ? 0.4294 0.4365 0.4712 -0.0386 0.0216 -0.0128 414 GLU B N 3227 C CA . GLU B 85 ? 0.4498 0.4613 0.4985 -0.0346 0.0233 -0.0137 414 GLU B CA 3228 C C . GLU B 85 ? 0.4631 0.4705 0.5097 -0.0335 0.0215 -0.0140 414 GLU B C 3229 O O . GLU B 85 ? 0.4547 0.4679 0.5078 -0.0330 0.0213 -0.0137 414 GLU B O 3230 C CB . GLU B 85 ? 0.4072 0.4183 0.4558 -0.0305 0.0262 -0.0150 414 GLU B CB 3231 C CG . GLU B 85 ? 0.4523 0.4689 0.5046 -0.0316 0.0283 -0.0145 414 GLU B CG 3232 C CD . GLU B 85 ? 0.5434 0.5614 0.5960 -0.0282 0.0313 -0.0155 414 GLU B CD 3233 O OE1 . GLU B 85 ? 0.6094 0.6240 0.6584 -0.0243 0.0319 -0.0169 414 GLU B OE1 3234 O OE2 . GLU B 85 ? 0.4919 0.5147 0.5480 -0.0292 0.0332 -0.0149 414 GLU B OE2 3235 N N . ASP B 86 ? 0.4396 0.4361 0.4760 -0.0333 0.0200 -0.0145 415 ASP B N 3236 C CA . ASP B 86 ? 0.4436 0.4341 0.4759 -0.0326 0.0178 -0.0145 415 ASP B CA 3237 C C . ASP B 86 ? 0.4751 0.4691 0.5092 -0.0381 0.0154 -0.0127 415 ASP B C 3238 O O . ASP B 86 ? 0.4323 0.4267 0.4679 -0.0377 0.0142 -0.0123 415 ASP B O 3239 C CB . ASP B 86 ? 0.4911 0.4665 0.5097 -0.0317 0.0162 -0.0153 415 ASP B CB 3240 C CG . ASP B 86 ? 0.6532 0.6253 0.6693 -0.0247 0.0186 -0.0174 415 ASP B CG 3241 O OD1 . ASP B 86 ? 0.6754 0.6577 0.7009 -0.0205 0.0212 -0.0180 415 ASP B OD1 3242 O OD2 . ASP B 86 ? 0.7091 0.6685 0.7131 -0.0234 0.0178 -0.0184 415 ASP B OD2 3243 N N . GLY B 87 ? 0.4401 0.4373 0.4739 -0.0430 0.0148 -0.0115 416 GLY B N 3244 C CA . GLY B 87 ? 0.3603 0.3632 0.3961 -0.0480 0.0128 -0.0096 416 GLY B CA 3245 C C . GLY B 87 ? 0.4247 0.4381 0.4711 -0.0461 0.0138 -0.0095 416 GLY B C 3246 O O . GLY B 87 ? 0.4058 0.4205 0.4528 -0.0475 0.0122 -0.0088 416 GLY B O 3247 N N . PHE B 88 ? 0.3680 0.3880 0.4219 -0.0431 0.0163 -0.0102 417 PHE B N 3248 C CA . PHE B 88 ? 0.3678 0.3965 0.4306 -0.0416 0.0171 -0.0102 417 PHE B CA 3249 C C . PHE B 88 ? 0.3959 0.4234 0.4611 -0.0382 0.0174 -0.0112 417 PHE B C 3250 O O . PHE B 88 ? 0.4380 0.4704 0.5079 -0.0381 0.0170 -0.0111 417 PHE B O 3251 C CB . PHE B 88 ? 0.3416 0.3758 0.4099 -0.0401 0.0194 -0.0105 417 PHE B CB 3252 C CG . PHE B 88 ? 0.3820 0.4201 0.4495 -0.0426 0.0188 -0.0092 417 PHE B CG 3253 C CD1 . PHE B 88 ? 0.3074 0.3520 0.3772 -0.0442 0.0174 -0.0081 417 PHE B CD1 3254 C CD2 . PHE B 88 ? 0.3166 0.3527 0.3810 -0.0431 0.0195 -0.0090 417 PHE B CD2 3255 C CE1 . PHE B 88 ? 0.3208 0.3708 0.3902 -0.0457 0.0168 -0.0069 417 PHE B CE1 3256 C CE2 . PHE B 88 ? 0.3279 0.3686 0.3916 -0.0450 0.0188 -0.0077 417 PHE B CE2 3257 C CZ . PHE B 88 ? 0.3743 0.4225 0.4407 -0.0461 0.0174 -0.0066 417 PHE B CZ 3258 N N . LEU B 89 ? 0.4100 0.4314 0.4715 -0.0352 0.0182 -0.0123 418 LEU B N 3259 C CA . LEU B 89 ? 0.4328 0.4538 0.4960 -0.0313 0.0183 -0.0132 418 LEU B CA 3260 C C . LEU B 89 ? 0.4376 0.4544 0.4967 -0.0328 0.0155 -0.0124 418 LEU B C 3261 O O . LEU B 89 ? 0.4414 0.4621 0.5048 -0.0313 0.0151 -0.0125 418 LEU B O 3262 C CB . LEU B 89 ? 0.4039 0.4192 0.4624 -0.0269 0.0195 -0.0146 418 LEU B CB 3263 C CG . LEU B 89 ? 0.4587 0.4737 0.5177 -0.0217 0.0195 -0.0155 418 LEU B CG 3264 C CD1 . LEU B 89 ? 0.4812 0.5077 0.5508 -0.0212 0.0205 -0.0155 418 LEU B CD1 3265 C CD2 . LEU B 89 ? 0.4465 0.4583 0.5016 -0.0165 0.0213 -0.0169 418 LEU B CD2 3266 N N . ASP B 90 ? 0.4175 0.4266 0.4680 -0.0364 0.0135 -0.0115 419 ASP B N 3267 C CA . ASP B 90 ? 0.4156 0.4195 0.4605 -0.0388 0.0107 -0.0104 419 ASP B CA 3268 C C . ASP B 90 ? 0.4718 0.4850 0.5225 -0.0425 0.0100 -0.0090 419 ASP B C 3269 O O . ASP B 90 ? 0.4383 0.4515 0.4891 -0.0424 0.0086 -0.0086 419 ASP B O 3270 C CB . ASP B 90 ? 0.5037 0.4959 0.5362 -0.0428 0.0086 -0.0096 419 ASP B CB 3271 C CG . ASP B 90 ? 0.5929 0.5720 0.6162 -0.0383 0.0085 -0.0110 419 ASP B CG 3272 O OD1 . ASP B 90 ? 0.7038 0.6818 0.7285 -0.0324 0.0091 -0.0120 419 ASP B OD1 3273 O OD2 . ASP B 90 ? 0.7134 0.6833 0.7275 -0.0405 0.0078 -0.0111 419 ASP B OD2 3274 N N . VAL B 91 ? 0.3911 0.4125 0.4465 -0.0450 0.0108 -0.0085 420 VAL B N 3275 C CA . VAL B 91 ? 0.3690 0.3994 0.4291 -0.0475 0.0101 -0.0074 420 VAL B CA 3276 C C . VAL B 91 ? 0.3811 0.4179 0.4497 -0.0436 0.0115 -0.0085 420 VAL B C 3277 O O . VAL B 91 ? 0.4084 0.4493 0.4791 -0.0444 0.0105 -0.0080 420 VAL B O 3278 C CB . VAL B 91 ? 0.3974 0.4357 0.4592 -0.0507 0.0103 -0.0063 420 VAL B CB 3279 C CG1 . VAL B 91 ? 0.2998 0.3330 0.3557 -0.0528 0.0102 -0.0061 420 VAL B CG1 3280 C CG2 . VAL B 91 ? 0.3204 0.3677 0.3909 -0.0477 0.0122 -0.0071 420 VAL B CG2 3281 N N . TRP B 92 ? 0.3272 0.3649 0.4001 -0.0400 0.0136 -0.0099 421 TRP B N 3282 C CA . TRP B 92 ? 0.3440 0.3875 0.4241 -0.0374 0.0146 -0.0109 421 TRP B CA 3283 C C . TRP B 92 ? 0.3790 0.4202 0.4588 -0.0351 0.0136 -0.0113 421 TRP B C 3284 O O . TRP B 92 ? 0.3362 0.3824 0.4205 -0.0344 0.0133 -0.0116 421 TRP B O 3285 C CB . TRP B 92 ? 0.3229 0.3688 0.4074 -0.0353 0.0170 -0.0119 421 TRP B CB 3286 C CG . TRP B 92 ? 0.3541 0.4039 0.4405 -0.0367 0.0178 -0.0115 421 TRP B CG 3287 C CD1 . TRP B 92 ? 0.3456 0.3940 0.4301 -0.0373 0.0188 -0.0113 421 TRP B CD1 3288 C CD2 . TRP B 92 ? 0.3488 0.4040 0.4385 -0.0372 0.0175 -0.0114 421 TRP B CD2 3289 N NE1 . TRP B 92 ? 0.3203 0.3730 0.4068 -0.0378 0.0190 -0.0108 421 TRP B NE1 3290 C CE2 . TRP B 92 ? 0.3539 0.4106 0.4433 -0.0375 0.0183 -0.0110 421 TRP B CE2 3291 C CE3 . TRP B 92 ? 0.3598 0.4185 0.4520 -0.0371 0.0165 -0.0116 421 TRP B CE3 3292 C CZ2 . TRP B 92 ? 0.2980 0.3590 0.3890 -0.0369 0.0182 -0.0109 421 TRP B CZ2 3293 C CZ3 . TRP B 92 ? 0.3419 0.4050 0.4358 -0.0369 0.0165 -0.0116 421 TRP B CZ3 3294 C CH2 . TRP B 92 ? 0.3690 0.4330 0.4622 -0.0365 0.0174 -0.0113 421 TRP B CH2 3295 N N . THR B 93 ? 0.3432 0.3765 0.4169 -0.0334 0.0130 -0.0114 422 THR B N 3296 C CA . THR B 93 ? 0.3191 0.3489 0.3906 -0.0305 0.0117 -0.0116 422 THR B CA 3297 C C . THR B 93 ? 0.3959 0.4243 0.4641 -0.0337 0.0092 -0.0102 422 THR B C 3298 O O . THR B 93 ? 0.4027 0.4339 0.4734 -0.0324 0.0084 -0.0102 422 THR B O 3299 C CB . THR B 93 ? 0.3619 0.3816 0.4253 -0.0274 0.0114 -0.0121 422 THR B CB 3300 O OG1 . THR B 93 ? 0.3692 0.3916 0.4357 -0.0244 0.0140 -0.0134 422 THR B OG1 3301 C CG2 . THR B 93 ? 0.3096 0.3257 0.3703 -0.0233 0.0100 -0.0122 422 THR B CG2 3302 N N . TYR B 94 ? 0.4573 0.4820 0.5198 -0.0383 0.0081 -0.0089 423 TYR B N 3303 C CA . TYR B 94 ? 0.3630 0.3876 0.4219 -0.0426 0.0059 -0.0071 423 TYR B CA 3304 C C . TYR B 94 ? 0.4145 0.4505 0.4817 -0.0430 0.0065 -0.0072 423 TYR B C 3305 O O . TYR B 94 ? 0.4169 0.4542 0.4842 -0.0431 0.0052 -0.0067 423 TYR B O 3306 C CB . TYR B 94 ? 0.3671 0.3886 0.4194 -0.0484 0.0048 -0.0056 423 TYR B CB 3307 C CG . TYR B 94 ? 0.4172 0.4437 0.4682 -0.0535 0.0031 -0.0037 423 TYR B CG 3308 C CD1 . TYR B 94 ? 0.4277 0.4466 0.4707 -0.0561 0.0006 -0.0023 423 TYR B CD1 3309 C CD2 . TYR B 94 ? 0.4212 0.4600 0.4785 -0.0555 0.0040 -0.0033 423 TYR B CD2 3310 C CE1 . TYR B 94 ? 0.4320 0.4566 0.4739 -0.0613 -0.0008 -0.0003 423 TYR B CE1 3311 C CE2 . TYR B 94 ? 0.4424 0.4876 0.4989 -0.0597 0.0028 -0.0015 423 TYR B CE2 3312 C CZ . TYR B 94 ? 0.4536 0.4922 0.5027 -0.0630 0.0004 0.0000 423 TYR B CZ 3313 O OH . TYR B 94 ? 0.5806 0.6267 0.6288 -0.0678 -0.0007 0.0019 423 TYR B OH 3314 N N . ASN B 95 ? 0.3782 0.4216 0.4514 -0.0429 0.0083 -0.0078 424 ASN B N 3315 C CA . ASN B 95 ? 0.3485 0.4012 0.4282 -0.0427 0.0089 -0.0082 424 ASN B CA 3316 C C . ASN B 95 ? 0.3615 0.4161 0.4458 -0.0395 0.0091 -0.0094 424 ASN B C 3317 O O . ASN B 95 ? 0.4354 0.4943 0.5213 -0.0400 0.0083 -0.0092 424 ASN B O 3318 C CB . ASN B 95 ? 0.3084 0.3661 0.3923 -0.0420 0.0108 -0.0088 424 ASN B CB 3319 C CG . ASN B 95 ? 0.3114 0.3713 0.3922 -0.0452 0.0104 -0.0075 424 ASN B CG 3320 O OD1 . ASN B 95 ? 0.4286 0.4900 0.5058 -0.0487 0.0088 -0.0059 424 ASN B OD1 3321 N ND2 . ASN B 95 ? 0.3810 0.4417 0.4629 -0.0445 0.0118 -0.0078 424 ASN B ND2 3322 N N . ALA B 96 ? 0.3500 0.4025 0.4364 -0.0363 0.0101 -0.0106 425 ALA B N 3323 C CA . ALA B 96 ? 0.3293 0.3853 0.4204 -0.0337 0.0103 -0.0117 425 ALA B CA 3324 C C . ALA B 96 ? 0.3583 0.4113 0.4459 -0.0328 0.0081 -0.0110 425 ALA B C 3325 O O . ALA B 96 ? 0.3967 0.4540 0.4871 -0.0326 0.0073 -0.0112 425 ALA B O 3326 C CB . ALA B 96 ? 0.2799 0.3361 0.3738 -0.0308 0.0120 -0.0129 425 ALA B CB 3327 N N . GLU B 97 ? 0.4046 0.4492 0.4852 -0.0322 0.0070 -0.0102 426 GLU B N 3328 C CA . GLU B 97 ? 0.4291 0.4687 0.5048 -0.0307 0.0048 -0.0095 426 GLU B CA 3329 C C . GLU B 97 ? 0.4606 0.5004 0.5333 -0.0348 0.0029 -0.0079 426 GLU B C 3330 O O . GLU B 97 ? 0.5043 0.5450 0.5767 -0.0339 0.0014 -0.0075 426 GLU B O 3331 C CB . GLU B 97 ? 0.4652 0.4933 0.5321 -0.0287 0.0039 -0.0091 426 GLU B CB 3332 C CG . GLU B 97 ? 0.4651 0.4937 0.5345 -0.0230 0.0056 -0.0107 426 GLU B CG 3333 C CD . GLU B 97 ? 0.6039 0.6201 0.6631 -0.0198 0.0047 -0.0106 426 GLU B CD 3334 O OE1 . GLU B 97 ? 0.6587 0.6642 0.7081 -0.0218 0.0023 -0.0093 426 GLU B OE1 3335 O OE2 . GLU B 97 ? 0.5654 0.5821 0.6257 -0.0154 0.0064 -0.0119 426 GLU B OE2 3336 N N . LEU B 98 ? 0.4299 0.4703 0.5005 -0.0393 0.0031 -0.0069 427 LEU B N 3337 C CA . LEU B 98 ? 0.3920 0.4348 0.4598 -0.0437 0.0016 -0.0052 427 LEU B CA 3338 C C . LEU B 98 ? 0.4032 0.4567 0.4786 -0.0431 0.0024 -0.0060 427 LEU B C 3339 O O . LEU B 98 ? 0.4580 0.5137 0.5322 -0.0443 0.0011 -0.0052 427 LEU B O 3340 C CB . LEU B 98 ? 0.4737 0.5164 0.5375 -0.0487 0.0016 -0.0038 427 LEU B CB 3341 C CG . LEU B 98 ? 0.5334 0.5778 0.5919 -0.0546 -0.0002 -0.0014 427 LEU B CG 3342 C CD1 . LEU B 98 ? 0.4726 0.5305 0.5376 -0.0555 0.0009 -0.0015 427 LEU B CD1 3343 C CD2 . LEU B 98 ? 0.4458 0.4824 0.4975 -0.0552 -0.0026 -0.0002 427 LEU B CD2 3344 N N . LEU B 99 ? 0.3953 0.4544 0.4773 -0.0413 0.0045 -0.0077 428 LEU B N 3345 C CA . LEU B 99 ? 0.3673 0.4344 0.4548 -0.0405 0.0051 -0.0087 428 LEU B CA 3346 C C . LEU B 99 ? 0.4615 0.5291 0.5510 -0.0382 0.0041 -0.0095 428 LEU B C 3347 O O . LEU B 99 ? 0.4286 0.5005 0.5189 -0.0388 0.0034 -0.0095 428 LEU B O 3348 C CB . LEU B 99 ? 0.3329 0.4032 0.4254 -0.0390 0.0072 -0.0103 428 LEU B CB 3349 C CG . LEU B 99 ? 0.4222 0.4984 0.5184 -0.0381 0.0077 -0.0116 428 LEU B CG 3350 C CD1 . LEU B 99 ? 0.3578 0.4391 0.4519 -0.0398 0.0071 -0.0107 428 LEU B CD1 3351 C CD2 . LEU B 99 ? 0.3651 0.4418 0.4643 -0.0367 0.0095 -0.0130 428 LEU B CD2 3352 N N . VAL B 100 ? 0.4222 0.4862 0.5123 -0.0354 0.0041 -0.0101 429 VAL B N 3353 C CA . VAL B 100 ? 0.4161 0.4820 0.5085 -0.0329 0.0031 -0.0107 429 VAL B CA 3354 C C . VAL B 100 ? 0.3993 0.4622 0.4864 -0.0336 0.0006 -0.0091 429 VAL B C 3355 O O . VAL B 100 ? 0.3568 0.4238 0.4458 -0.0331 -0.0004 -0.0094 429 VAL B O 3356 C CB . VAL B 100 ? 0.3964 0.4608 0.4906 -0.0292 0.0037 -0.0115 429 VAL B CB 3357 C CG1 . VAL B 100 ? 0.3919 0.4585 0.4871 -0.0262 0.0021 -0.0116 429 VAL B CG1 3358 C CG2 . VAL B 100 ? 0.3738 0.4431 0.4741 -0.0291 0.0059 -0.0130 429 VAL B CG2 3359 N N . LEU B 101 ? 0.3665 0.4215 0.4461 -0.0351 -0.0005 -0.0074 430 LEU B N 3360 C CA . LEU B 101 ? 0.3513 0.4016 0.4240 -0.0364 -0.0030 -0.0055 430 LEU B CA 3361 C C . LEU B 101 ? 0.3507 0.4073 0.4239 -0.0404 -0.0032 -0.0048 430 LEU B C 3362 O O . LEU B 101 ? 0.3402 0.3980 0.4118 -0.0406 -0.0048 -0.0041 430 LEU B O 3363 C CB . LEU B 101 ? 0.3302 0.3688 0.3930 -0.0381 -0.0042 -0.0038 430 LEU B CB 3364 C CG . LEU B 101 ? 0.4139 0.4436 0.4730 -0.0333 -0.0045 -0.0043 430 LEU B CG 3365 C CD1 . LEU B 101 ? 0.3104 0.3264 0.3574 -0.0358 -0.0061 -0.0027 430 LEU B CD1 3366 C CD2 . LEU B 101 ? 0.3112 0.3410 0.3709 -0.0279 -0.0059 -0.0047 430 LEU B CD2 3367 N N . LEU B 102 ? 0.4269 0.4882 0.5020 -0.0431 -0.0017 -0.0049 431 LEU B N 3368 C CA . LEU B 102 ? 0.3821 0.4509 0.4576 -0.0462 -0.0016 -0.0042 431 LEU B CA 3369 C C . LEU B 102 ? 0.3811 0.4572 0.4627 -0.0437 -0.0009 -0.0062 431 LEU B C 3370 O O . LEU B 102 ? 0.4462 0.5262 0.5266 -0.0447 -0.0018 -0.0057 431 LEU B O 3371 C CB . LEU B 102 ? 0.4035 0.4764 0.4794 -0.0488 -0.0001 -0.0038 431 LEU B CB 3372 C CG . LEU B 102 ? 0.4847 0.5681 0.5622 -0.0505 0.0006 -0.0036 431 LEU B CG 3373 C CD1 . LEU B 102 ? 0.4688 0.5536 0.5407 -0.0545 -0.0012 -0.0012 431 LEU B CD1 3374 C CD2 . LEU B 102 ? 0.4431 0.5312 0.5215 -0.0518 0.0020 -0.0033 431 LEU B CD2 3375 N N . GLU B 103 ? 0.4012 0.4787 0.4884 -0.0407 0.0005 -0.0083 432 GLU B N 3376 C CA . GLU B 103 ? 0.3813 0.4641 0.4729 -0.0391 0.0010 -0.0103 432 GLU B CA 3377 C C . GLU B 103 ? 0.4206 0.5031 0.5124 -0.0378 -0.0009 -0.0104 432 GLU B C 3378 O O . GLU B 103 ? 0.4482 0.5350 0.5410 -0.0378 -0.0014 -0.0113 432 GLU B O 3379 C CB . GLU B 103 ? 0.3389 0.4221 0.4353 -0.0374 0.0028 -0.0122 432 GLU B CB 3380 C CG . GLU B 103 ? 0.4028 0.4884 0.4993 -0.0379 0.0044 -0.0126 432 GLU B CG 3381 C CD . GLU B 103 ? 0.5766 0.6677 0.6708 -0.0389 0.0042 -0.0121 432 GLU B CD 3382 O OE1 . GLU B 103 ? 0.6532 0.7470 0.7479 -0.0379 0.0038 -0.0133 432 GLU B OE1 3383 O OE2 . GLU B 103 ? 0.6246 0.7179 0.7162 -0.0408 0.0043 -0.0104 432 GLU B OE2 3384 N N . ASN B 104 ? 0.3347 0.4121 0.4249 -0.0363 -0.0020 -0.0096 433 ASN B N 3385 C CA . ASN B 104 ? 0.3664 0.4441 0.4564 -0.0343 -0.0040 -0.0095 433 ASN B CA 3386 C C . ASN B 104 ? 0.4038 0.4812 0.4886 -0.0364 -0.0057 -0.0078 433 ASN B C 3387 O O . ASN B 104 ? 0.4253 0.5065 0.5111 -0.0358 -0.0069 -0.0083 433 ASN B O 3388 C CB . ASN B 104 ? 0.3491 0.4210 0.4370 -0.0312 -0.0048 -0.0088 433 ASN B CB 3389 C CG . ASN B 104 ? 0.3844 0.4595 0.4785 -0.0286 -0.0033 -0.0105 433 ASN B CG 3390 O OD1 . ASN B 104 ? 0.3742 0.4553 0.4739 -0.0295 -0.0020 -0.0122 433 ASN B OD1 3391 N ND2 . ASN B 104 ? 0.3481 0.4188 0.4403 -0.0253 -0.0034 -0.0101 433 ASN B ND2 3392 N N . GLU B 105 ? 0.3771 0.4505 0.4561 -0.0393 -0.0060 -0.0058 434 GLU B N 3393 C CA . GLU B 105 ? 0.4546 0.5277 0.5278 -0.0422 -0.0076 -0.0038 434 GLU B CA 3394 C C . GLU B 105 ? 0.4725 0.5549 0.5487 -0.0434 -0.0068 -0.0048 434 GLU B C 3395 O O . GLU B 105 ? 0.3979 0.4826 0.4720 -0.0440 -0.0082 -0.0043 434 GLU B O 3396 C CB . GLU B 105 ? 0.4428 0.5106 0.5090 -0.0463 -0.0080 -0.0013 434 GLU B CB 3397 C CG . GLU B 105 ? 0.4654 0.5341 0.5253 -0.0506 -0.0095 0.0011 434 GLU B CG 3398 C CD . GLU B 105 ? 0.6754 0.7404 0.7284 -0.0562 -0.0097 0.0036 434 GLU B CD 3399 O OE1 . GLU B 105 ? 0.6527 0.7101 0.7034 -0.0561 -0.0097 0.0038 434 GLU B OE1 3400 O OE2 . GLU B 105 ? 0.6994 0.7699 0.7493 -0.0609 -0.0100 0.0054 434 GLU B OE2 3401 N N . ARG B 106 ? 0.3282 0.4154 0.4086 -0.0433 -0.0046 -0.0064 435 ARG B N 3402 C CA . ARG B 106 ? 0.3511 0.4461 0.4330 -0.0436 -0.0035 -0.0076 435 ARG B CA 3403 C C . ARG B 106 ? 0.3621 0.4591 0.4479 -0.0408 -0.0037 -0.0102 435 ARG B C 3404 O O . ARG B 106 ? 0.3620 0.4634 0.4470 -0.0408 -0.0040 -0.0110 435 ARG B O 3405 C CB . ARG B 106 ? 0.3414 0.4400 0.4251 -0.0437 -0.0013 -0.0082 435 ARG B CB 3406 C CG . ARG B 106 ? 0.4249 0.5227 0.5049 -0.0472 -0.0013 -0.0056 435 ARG B CG 3407 C CD . ARG B 106 ? 0.4393 0.5424 0.5214 -0.0470 0.0008 -0.0062 435 ARG B CD 3408 N NE . ARG B 106 ? 0.6289 0.7410 0.7117 -0.0456 0.0018 -0.0072 435 ARG B NE 3409 C CZ . ARG B 106 ? 0.6013 0.7151 0.6870 -0.0417 0.0030 -0.0099 435 ARG B CZ 3410 N NH1 . ARG B 106 ? 0.4765 0.5844 0.5653 -0.0395 0.0036 -0.0116 435 ARG B NH1 3411 N NH2 . ARG B 106 ? 0.4890 0.6102 0.5737 -0.0400 0.0037 -0.0108 435 ARG B NH2 3412 N N . THR B 107 ? 0.3976 0.4915 0.4871 -0.0389 -0.0037 -0.0114 436 THR B N 3413 C CA . THR B 107 ? 0.3731 0.4691 0.4659 -0.0374 -0.0042 -0.0136 436 THR B CA 3414 C C . THR B 107 ? 0.3805 0.4776 0.4713 -0.0373 -0.0067 -0.0128 436 THR B C 3415 O O . THR B 107 ? 0.3669 0.4674 0.4576 -0.0375 -0.0073 -0.0142 436 THR B O 3416 C CB . THR B 107 ? 0.3982 0.4924 0.4955 -0.0360 -0.0037 -0.0146 436 THR B CB 3417 O OG1 . THR B 107 ? 0.3945 0.4883 0.4936 -0.0362 -0.0015 -0.0159 436 THR B OG1 3418 C CG2 . THR B 107 ? 0.3344 0.4316 0.4347 -0.0354 -0.0049 -0.0162 436 THR B CG2 3419 N N . LEU B 108 ? 0.3713 0.4646 0.4594 -0.0370 -0.0082 -0.0107 437 LEU B N 3420 C CA . LEU B 108 ? 0.3852 0.4787 0.4703 -0.0366 -0.0107 -0.0096 437 LEU B CA 3421 C C . LEU B 108 ? 0.4091 0.5053 0.4900 -0.0390 -0.0110 -0.0088 437 LEU B C 3422 O O . LEU B 108 ? 0.4076 0.5069 0.4877 -0.0388 -0.0124 -0.0093 437 LEU B O 3423 C CB . LEU B 108 ? 0.3414 0.4282 0.4225 -0.0352 -0.0124 -0.0072 437 LEU B CB 3424 C CG . LEU B 108 ? 0.3972 0.4827 0.4824 -0.0317 -0.0121 -0.0081 437 LEU B CG 3425 C CD1 . LEU B 108 ? 0.3846 0.4624 0.4644 -0.0290 -0.0138 -0.0060 437 LEU B CD1 3426 C CD2 . LEU B 108 ? 0.3360 0.4288 0.4273 -0.0301 -0.0126 -0.0101 437 LEU B CD2 3427 N N . ASP B 109 ? 0.3972 0.4933 0.4753 -0.0414 -0.0097 -0.0075 438 ASP B N 3428 C CA . ASP B 109 ? 0.3951 0.4961 0.4695 -0.0438 -0.0094 -0.0067 438 ASP B CA 3429 C C . ASP B 109 ? 0.3843 0.4916 0.4613 -0.0424 -0.0083 -0.0096 438 ASP B C 3430 O O . ASP B 109 ? 0.3740 0.4851 0.4481 -0.0429 -0.0090 -0.0096 438 ASP B O 3431 C CB . ASP B 109 ? 0.4364 0.5387 0.5086 -0.0466 -0.0079 -0.0051 438 ASP B CB 3432 C CG . ASP B 109 ? 0.5512 0.6472 0.6170 -0.0499 -0.0095 -0.0016 438 ASP B CG 3433 O OD1 . ASP B 109 ? 0.5930 0.6842 0.6548 -0.0499 -0.0118 -0.0002 438 ASP B OD1 3434 O OD2 . ASP B 109 ? 0.5907 0.6859 0.6547 -0.0526 -0.0085 -0.0002 438 ASP B OD2 3435 N N . LEU B 110 ? 0.3577 0.4649 0.4390 -0.0405 -0.0068 -0.0121 439 LEU B N 3436 C CA . LEU B 110 ? 0.3801 0.4903 0.4622 -0.0390 -0.0059 -0.0151 439 LEU B CA 3437 C C . LEU B 110 ? 0.3825 0.4929 0.4643 -0.0386 -0.0080 -0.0163 439 LEU B C 3438 O O . LEU B 110 ? 0.3731 0.4865 0.4520 -0.0383 -0.0081 -0.0176 439 LEU B O 3439 C CB . LEU B 110 ? 0.3816 0.4893 0.4673 -0.0375 -0.0042 -0.0171 439 LEU B CB 3440 C CG . LEU B 110 ? 0.4160 0.5232 0.5014 -0.0360 -0.0039 -0.0204 439 LEU B CG 3441 C CD1 . LEU B 110 ? 0.4921 0.6030 0.5732 -0.0345 -0.0028 -0.0213 439 LEU B CD1 3442 C CD2 . LEU B 110 ? 0.4093 0.5122 0.4974 -0.0354 -0.0027 -0.0219 439 LEU B CD2 3443 N N . HIS B 111 ? 0.3212 0.4292 0.4059 -0.0384 -0.0095 -0.0160 440 HIS B N 3444 C CA . HIS B 111 ? 0.3387 0.4482 0.4236 -0.0382 -0.0118 -0.0168 440 HIS B CA 3445 C C . HIS B 111 ? 0.3374 0.4487 0.4174 -0.0390 -0.0135 -0.0151 440 HIS B C 3446 O O . HIS B 111 ? 0.3157 0.4295 0.3938 -0.0391 -0.0147 -0.0164 440 HIS B O 3447 C CB . HIS B 111 ? 0.3332 0.4416 0.4220 -0.0373 -0.0132 -0.0162 440 HIS B CB 3448 C CG . HIS B 111 ? 0.2764 0.3845 0.3701 -0.0371 -0.0119 -0.0180 440 HIS B CG 3449 N ND1 . HIS B 111 ? 0.3171 0.4260 0.4116 -0.0383 -0.0116 -0.0208 440 HIS B ND1 3450 C CD2 . HIS B 111 ? 0.2956 0.4020 0.3928 -0.0363 -0.0109 -0.0175 440 HIS B CD2 3451 C CE1 . HIS B 111 ? 0.3089 0.4169 0.4073 -0.0386 -0.0105 -0.0217 440 HIS B CE1 3452 N NE2 . HIS B 111 ? 0.3319 0.4391 0.4324 -0.0372 -0.0100 -0.0197 440 HIS B NE2 3453 N N . ASP B 112 ? 0.3124 0.4216 0.3897 -0.0398 -0.0138 -0.0121 441 ASP B N 3454 C CA . ASP B 112 ? 0.3118 0.4217 0.3832 -0.0412 -0.0152 -0.0098 441 ASP B CA 3455 C C . ASP B 112 ? 0.3369 0.4524 0.4055 -0.0423 -0.0139 -0.0108 441 ASP B C 3456 O O . ASP B 112 ? 0.3818 0.4999 0.4470 -0.0427 -0.0152 -0.0108 441 ASP B O 3457 C CB . ASP B 112 ? 0.3027 0.4077 0.3704 -0.0428 -0.0155 -0.0063 441 ASP B CB 3458 C CG . ASP B 112 ? 0.4292 0.5327 0.4899 -0.0447 -0.0176 -0.0034 441 ASP B CG 3459 O OD1 . ASP B 112 ? 0.4154 0.5217 0.4748 -0.0441 -0.0192 -0.0039 441 ASP B OD1 3460 O OD2 . ASP B 112 ? 0.4665 0.5653 0.5221 -0.0472 -0.0180 -0.0004 441 ASP B OD2 3461 N N . ALA B 113 ? 0.2760 0.3936 0.3457 -0.0422 -0.0113 -0.0117 442 ALA B N 3462 C CA . ALA B 113 ? 0.3261 0.4498 0.3931 -0.0419 -0.0097 -0.0129 442 ALA B CA 3463 C C . ALA B 113 ? 0.3209 0.4449 0.3878 -0.0398 -0.0103 -0.0164 442 ALA B C 3464 O O . ALA B 113 ? 0.3433 0.4713 0.4060 -0.0396 -0.0104 -0.0171 442 ALA B O 3465 C CB . ALA B 113 ? 0.2597 0.3859 0.3283 -0.0411 -0.0069 -0.0135 442 ALA B CB 3466 N N . ASN B 114 ? 0.3587 0.4784 0.4294 -0.0387 -0.0106 -0.0186 443 ASN B N 3467 C CA . ASN B 114 ? 0.3742 0.4929 0.4439 -0.0377 -0.0113 -0.0220 443 ASN B CA 3468 C C . ASN B 114 ? 0.3818 0.5018 0.4492 -0.0387 -0.0141 -0.0219 443 ASN B C 3469 O O . ASN B 114 ? 0.3717 0.4924 0.4350 -0.0382 -0.0145 -0.0242 443 ASN B O 3470 C CB . ASN B 114 ? 0.3232 0.4372 0.3971 -0.0376 -0.0112 -0.0238 443 ASN B CB 3471 C CG . ASN B 114 ? 0.3782 0.4900 0.4527 -0.0360 -0.0085 -0.0249 443 ASN B CG 3472 O OD1 . ASN B 114 ? 0.3666 0.4806 0.4375 -0.0342 -0.0069 -0.0255 443 ASN B OD1 3473 N ND2 . ASN B 114 ? 0.3654 0.4737 0.4442 -0.0364 -0.0081 -0.0252 443 ASN B ND2 3474 N N . VAL B 115 ? 0.3088 0.4287 0.3780 -0.0397 -0.0161 -0.0193 444 VAL B N 3475 C CA . VAL B 115 ? 0.3433 0.4649 0.4100 -0.0403 -0.0189 -0.0186 444 VAL B CA 3476 C C . VAL B 115 ? 0.3864 0.5112 0.4470 -0.0410 -0.0186 -0.0174 444 VAL B C 3477 O O . VAL B 115 ? 0.3941 0.5210 0.4509 -0.0411 -0.0198 -0.0188 444 VAL B O 3478 C CB . VAL B 115 ? 0.3179 0.4381 0.3869 -0.0402 -0.0210 -0.0158 444 VAL B CB 3479 C CG1 . VAL B 115 ? 0.2951 0.4172 0.3603 -0.0404 -0.0240 -0.0144 444 VAL B CG1 3480 C CG2 . VAL B 115 ? 0.2359 0.3554 0.3111 -0.0394 -0.0214 -0.0171 444 VAL B CG2 3481 N N . LYS B 116 ? 0.3977 0.5233 0.4568 -0.0418 -0.0171 -0.0149 445 LYS B N 3482 C CA . LYS B 116 ? 0.3694 0.4997 0.4229 -0.0431 -0.0164 -0.0133 445 LYS B CA 3483 C C . LYS B 116 ? 0.4076 0.5423 0.4586 -0.0413 -0.0147 -0.0167 445 LYS B C 3484 O O . LYS B 116 ? 0.4226 0.5606 0.4687 -0.0415 -0.0155 -0.0169 445 LYS B O 3485 C CB . LYS B 116 ? 0.3634 0.4948 0.4163 -0.0451 -0.0147 -0.0103 445 LYS B CB 3486 C CG . LYS B 116 ? 0.4003 0.5385 0.4477 -0.0474 -0.0137 -0.0082 445 LYS B CG 3487 C CD . LYS B 116 ? 0.5640 0.7014 0.6059 -0.0496 -0.0164 -0.0057 445 LYS B CD 3488 C CE . LYS B 116 ? 0.5744 0.7182 0.6104 -0.0533 -0.0154 -0.0027 445 LYS B CE 3489 N NZ . LYS B 116 ? 0.6758 0.8164 0.7107 -0.0571 -0.0154 0.0011 445 LYS B NZ 3490 N N . ASN B 117 ? 0.4187 0.5525 0.4719 -0.0391 -0.0125 -0.0193 446 ASN B N 3491 C CA . ASN B 117 ? 0.4484 0.5847 0.4977 -0.0363 -0.0109 -0.0226 446 ASN B CA 3492 C C . ASN B 117 ? 0.4522 0.5850 0.4987 -0.0356 -0.0129 -0.0257 446 ASN B C 3493 O O . ASN B 117 ? 0.4771 0.6121 0.5177 -0.0339 -0.0125 -0.0278 446 ASN B O 3494 C CB . ASN B 117 ? 0.3686 0.5032 0.4199 -0.0335 -0.0084 -0.0246 446 ASN B CB 3495 C CG . ASN B 117 ? 0.4952 0.6345 0.5491 -0.0343 -0.0064 -0.0215 446 ASN B CG 3496 O OD1 . ASN B 117 ? 0.5694 0.7154 0.6214 -0.0364 -0.0061 -0.0187 446 ASN B OD1 3497 N ND2 . ASN B 117 ? 0.5193 0.6551 0.5773 -0.0334 -0.0052 -0.0220 446 ASN B ND2 3498 N N . LEU B 118 ? 0.3963 0.5242 0.4464 -0.0371 -0.0151 -0.0261 447 LEU B N 3499 C CA . LEU B 118 ? 0.4075 0.5325 0.4551 -0.0377 -0.0175 -0.0288 447 LEU B CA 3500 C C . LEU B 118 ? 0.4658 0.5950 0.5092 -0.0388 -0.0195 -0.0274 447 LEU B C 3501 O O . LEU B 118 ? 0.4725 0.6018 0.5102 -0.0382 -0.0202 -0.0299 447 LEU B O 3502 C CB . LEU B 118 ? 0.4015 0.5232 0.4549 -0.0395 -0.0194 -0.0288 447 LEU B CB 3503 C CG . LEU B 118 ? 0.4775 0.5972 0.5288 -0.0411 -0.0221 -0.0315 447 LEU B CG 3504 C CD1 . LEU B 118 ? 0.4629 0.5769 0.5085 -0.0400 -0.0209 -0.0357 447 LEU B CD1 3505 C CD2 . LEU B 118 ? 0.4379 0.5576 0.4959 -0.0432 -0.0240 -0.0309 447 LEU B CD2 3506 N N . TYR B 119 ? 0.3689 0.5005 0.4143 -0.0403 -0.0205 -0.0235 448 TYR B N 3507 C CA . TYR B 119 ? 0.3560 0.4911 0.3967 -0.0415 -0.0222 -0.0213 448 TYR B CA 3508 C C . TYR B 119 ? 0.4267 0.5668 0.4612 -0.0407 -0.0201 -0.0218 448 TYR B C 3509 O O . TYR B 119 ? 0.4391 0.5815 0.4682 -0.0409 -0.0213 -0.0224 448 TYR B O 3510 C CB . TYR B 119 ? 0.3167 0.4514 0.3592 -0.0431 -0.0232 -0.0166 448 TYR B CB 3511 C CG . TYR B 119 ? 0.4294 0.5671 0.4656 -0.0448 -0.0242 -0.0136 448 TYR B CG 3512 C CD1 . TYR B 119 ? 0.4292 0.5671 0.4621 -0.0452 -0.0273 -0.0132 448 TYR B CD1 3513 C CD2 . TYR B 119 ? 0.4669 0.6079 0.5002 -0.0464 -0.0221 -0.0110 448 TYR B CD2 3514 C CE1 . TYR B 119 ? 0.4631 0.6032 0.4896 -0.0469 -0.0283 -0.0102 448 TYR B CE1 3515 C CE2 . TYR B 119 ? 0.4674 0.6112 0.4944 -0.0488 -0.0230 -0.0080 448 TYR B CE2 3516 C CZ . TYR B 119 ? 0.5210 0.6638 0.5444 -0.0489 -0.0260 -0.0076 448 TYR B CZ 3517 O OH . TYR B 119 ? 0.5557 0.7007 0.5719 -0.0515 -0.0270 -0.0044 448 TYR B OH 3518 N N . GLU B 120 ? 0.4410 0.5838 0.4762 -0.0395 -0.0169 -0.0216 449 GLU B N 3519 C CA . GLU B 120 ? 0.4202 0.5701 0.4500 -0.0382 -0.0146 -0.0220 449 GLU B CA 3520 C C . GLU B 120 ? 0.4257 0.5741 0.4508 -0.0346 -0.0140 -0.0269 449 GLU B C 3521 O O . GLU B 120 ? 0.4535 0.6069 0.4724 -0.0334 -0.0135 -0.0277 449 GLU B O 3522 C CB . GLU B 120 ? 0.4344 0.5890 0.4665 -0.0376 -0.0114 -0.0205 449 GLU B CB 3523 C CG . GLU B 120 ? 0.5009 0.6565 0.5355 -0.0417 -0.0118 -0.0156 449 GLU B CG 3524 C CD . GLU B 120 ? 0.6287 0.7901 0.6578 -0.0451 -0.0125 -0.0122 449 GLU B CD 3525 O OE1 . GLU B 120 ? 0.7490 0.9160 0.7732 -0.0438 -0.0120 -0.0136 449 GLU B OE1 3526 O OE2 . GLU B 120 ? 0.7364 0.8960 0.7654 -0.0491 -0.0136 -0.0080 449 GLU B OE2 3527 N N . LYS B 121 ? 0.4301 0.5712 0.4573 -0.0330 -0.0142 -0.0301 450 LYS B N 3528 C CA . LYS B 121 ? 0.4873 0.6235 0.5084 -0.0298 -0.0140 -0.0349 450 LYS B CA 3529 C C . LYS B 121 ? 0.5220 0.6573 0.5379 -0.0314 -0.0169 -0.0361 450 LYS B C 3530 O O . LYS B 121 ? 0.5529 0.6880 0.5610 -0.0288 -0.0164 -0.0391 450 LYS B O 3531 C CB . LYS B 121 ? 0.5159 0.6428 0.5399 -0.0295 -0.0144 -0.0375 450 LYS B CB 3532 C CG . LYS B 121 ? 0.5908 0.7156 0.6139 -0.0253 -0.0113 -0.0393 450 LYS B CG 3533 C CD . LYS B 121 ? 0.7606 0.8751 0.7857 -0.0259 -0.0120 -0.0414 450 LYS B CD 3534 C CE . LYS B 121 ? 0.8837 0.9881 0.8997 -0.0241 -0.0130 -0.0462 450 LYS B CE 3535 N NZ . LYS B 121 ? 0.9064 1.0086 0.9193 -0.0279 -0.0163 -0.0473 450 LYS B NZ 3536 N N . VAL B 122 ? 0.4100 0.5448 0.4299 -0.0352 -0.0199 -0.0338 451 VAL B N 3537 C CA . VAL B 122 ? 0.4864 0.6210 0.5020 -0.0370 -0.0230 -0.0346 451 VAL B CA 3538 C C . VAL B 122 ? 0.4773 0.6192 0.4881 -0.0371 -0.0227 -0.0323 451 VAL B C 3539 O O . VAL B 122 ? 0.5114 0.6539 0.5150 -0.0365 -0.0236 -0.0344 451 VAL B O 3540 C CB . VAL B 122 ? 0.4917 0.6246 0.5133 -0.0403 -0.0264 -0.0328 451 VAL B CB 3541 C CG1 . VAL B 122 ? 0.4147 0.5494 0.4320 -0.0421 -0.0299 -0.0329 451 VAL B CG1 3542 C CG2 . VAL B 122 ? 0.4069 0.5336 0.4323 -0.0409 -0.0268 -0.0354 451 VAL B CG2 3543 N N . LYS B 123 ? 0.5039 0.6509 0.5178 -0.0383 -0.0216 -0.0279 452 LYS B N 3544 C CA . LYS B 123 ? 0.5240 0.6782 0.5330 -0.0394 -0.0212 -0.0251 452 LYS B CA 3545 C C . LYS B 123 ? 0.5408 0.7003 0.5432 -0.0361 -0.0183 -0.0278 452 LYS B C 3546 O O . LYS B 123 ? 0.5710 0.7347 0.5668 -0.0362 -0.0187 -0.0279 452 LYS B O 3547 C CB . LYS B 123 ? 0.4467 0.6043 0.4591 -0.0419 -0.0202 -0.0201 452 LYS B CB 3548 C CG . LYS B 123 ? 0.5398 0.7036 0.5465 -0.0446 -0.0205 -0.0165 452 LYS B CG 3549 C CD . LYS B 123 ? 0.6479 0.8193 0.6540 -0.0459 -0.0173 -0.0137 452 LYS B CD 3550 C CE . LYS B 123 ? 0.8539 1.0216 0.8646 -0.0492 -0.0179 -0.0096 452 LYS B CE 3551 N NZ . LYS B 123 ? 0.9239 1.0873 0.9312 -0.0528 -0.0212 -0.0055 452 LYS B NZ 3552 N N . SER B 124 ? 0.4787 0.6380 0.4826 -0.0327 -0.0154 -0.0300 453 SER B N 3553 C CA . SER B 124 ? 0.5044 0.6690 0.5023 -0.0280 -0.0123 -0.0327 453 SER B CA 3554 C C . SER B 124 ? 0.5531 0.7118 0.5429 -0.0250 -0.0134 -0.0378 453 SER B C 3555 O O . SER B 124 ? 0.5577 0.7213 0.5401 -0.0213 -0.0116 -0.0398 453 SER B O 3556 C CB . SER B 124 ? 0.4647 0.6292 0.4664 -0.0246 -0.0094 -0.0338 453 SER B CB 3557 O OG . SER B 124 ? 0.6294 0.7987 0.6249 -0.0187 -0.0065 -0.0368 453 SER B OG 3558 N N . GLN B 125 ? 0.5527 0.7011 0.5434 -0.0268 -0.0164 -0.0398 454 GLN B N 3559 C CA . GLN B 125 ? 0.5696 0.7106 0.5521 -0.0253 -0.0182 -0.0445 454 GLN B CA 3560 C C . GLN B 125 ? 0.6147 0.7589 0.5921 -0.0279 -0.0207 -0.0438 454 GLN B C 3561 O O . GLN B 125 ? 0.6574 0.8007 0.6254 -0.0254 -0.0207 -0.0471 454 GLN B O 3562 C CB . GLN B 125 ? 0.5527 0.6824 0.5379 -0.0276 -0.0207 -0.0467 454 GLN B CB 3563 C CG . GLN B 125 ? 0.5311 0.6531 0.5151 -0.0239 -0.0187 -0.0499 454 GLN B CG 3564 C CD . GLN B 125 ? 0.6673 0.7774 0.6506 -0.0268 -0.0215 -0.0526 454 GLN B CD 3565 O OE1 . GLN B 125 ? 0.7662 0.8665 0.7403 -0.0248 -0.0219 -0.0571 454 GLN B OE1 3566 N NE2 . GLN B 125 ? 0.5768 0.6877 0.5693 -0.0317 -0.0236 -0.0499 454 GLN B NE2 3567 N N . LEU B 126 ? 0.5622 0.7097 0.5453 -0.0325 -0.0230 -0.0395 455 LEU B N 3568 C CA . LEU B 126 ? 0.6331 0.7826 0.6119 -0.0352 -0.0261 -0.0385 455 LEU B CA 3569 C C . LEU B 126 ? 0.6830 0.8421 0.6565 -0.0345 -0.0243 -0.0362 455 LEU B C 3570 O O . LEU B 126 ? 0.7588 0.9191 0.7242 -0.0340 -0.0252 -0.0380 455 LEU B O 3571 C CB . LEU B 126 ? 0.5485 0.6973 0.5345 -0.0394 -0.0295 -0.0347 455 LEU B CB 3572 C CG . LEU B 126 ? 0.4991 0.6407 0.4909 -0.0406 -0.0314 -0.0366 455 LEU B CG 3573 C CD1 . LEU B 126 ? 0.4811 0.6238 0.4786 -0.0438 -0.0351 -0.0333 455 LEU B CD1 3574 C CD2 . LEU B 126 ? 0.5348 0.6695 0.5201 -0.0400 -0.0325 -0.0421 455 LEU B CD2 3575 N N . ARG B 127 ? 0.7072 0.8733 0.6848 -0.0350 -0.0216 -0.0324 456 ARG B N 3576 C CA . ARG B 127 ? 0.7051 0.8818 0.6783 -0.0355 -0.0196 -0.0294 456 ARG B CA 3577 C C . ARG B 127 ? 0.7890 0.9668 0.7579 -0.0392 -0.0229 -0.0269 456 ARG B C 3578 O O . ARG B 127 ? 0.7724 0.9466 0.7454 -0.0427 -0.0259 -0.0235 456 ARG B O 3579 C CB . ARG B 127 ? 0.7296 0.9116 0.6955 -0.0301 -0.0162 -0.0334 456 ARG B CB 3580 C CG . ARG B 127 ? 0.8083 0.9830 0.7743 -0.0249 -0.0148 -0.0385 456 ARG B CG 3581 C CD . ARG B 127 ? 0.9092 1.0924 0.8747 -0.0198 -0.0102 -0.0391 456 ARG B CD 3582 N NE . ARG B 127 ? 0.9517 1.1443 0.9083 -0.0162 -0.0080 -0.0405 456 ARG B NE 3583 C CZ . ARG B 127 ? 0.9403 1.1445 0.8955 -0.0117 -0.0039 -0.0406 456 ARG B CZ 3584 N NH1 . ARG B 127 ? 0.9075 1.1148 0.8696 -0.0104 -0.0017 -0.0393 456 ARG B NH1 3585 N NH2 . ARG B 127 ? 0.9399 1.1536 0.8869 -0.0082 -0.0019 -0.0418 456 ARG B NH2 3586 N N . ASP B 128 ? 0.9101 1.0927 0.8702 -0.0377 -0.0223 -0.0285 457 ASP B N 3587 C CA . ASP B 128 ? 0.9176 1.1016 0.8719 -0.0407 -0.0252 -0.0266 457 ASP B CA 3588 C C . ASP B 128 ? 0.8574 1.0325 0.8124 -0.0421 -0.0300 -0.0281 457 ASP B C 3589 O O . ASP B 128 ? 0.8621 1.0371 0.8161 -0.0454 -0.0333 -0.0247 457 ASP B O 3590 C CB . ASP B 128 ? 0.9720 1.1622 0.9161 -0.0379 -0.0234 -0.0293 457 ASP B CB 3591 C CG . ASP B 128 ? 1.0903 1.2934 1.0324 -0.0380 -0.0194 -0.0263 457 ASP B CG 3592 O OD1 . ASP B 128 ? 1.0973 1.3058 1.0365 -0.0424 -0.0203 -0.0216 457 ASP B OD1 3593 O OD2 . ASP B 128 ? 1.1649 1.3730 1.1078 -0.0338 -0.0155 -0.0284 457 ASP B OD2 3594 N N . ASN B 129 ? 0.6739 0.8418 0.6297 -0.0398 -0.0305 -0.0331 458 ASN B N 3595 C CA . ASN B 129 ? 0.6643 0.8256 0.6189 -0.0414 -0.0349 -0.0354 458 ASN B CA 3596 C C . ASN B 129 ? 0.6227 0.7816 0.5856 -0.0446 -0.0384 -0.0321 458 ASN B C 3597 O O . ASN B 129 ? 0.6681 0.8239 0.6308 -0.0463 -0.0423 -0.0333 458 ASN B O 3598 C CB . ASN B 129 ? 0.6415 0.7948 0.5936 -0.0388 -0.0344 -0.0415 458 ASN B CB 3599 C CG . ASN B 129 ? 0.7171 0.8706 0.6577 -0.0350 -0.0325 -0.0458 458 ASN B CG 3600 O OD1 . ASN B 129 ? 0.7507 0.9113 0.6855 -0.0348 -0.0318 -0.0443 458 ASN B OD1 3601 N ND2 . ASN B 129 ? 0.8029 0.9479 0.7391 -0.0320 -0.0317 -0.0511 458 ASN B ND2 3602 N N . ALA B 130 ? 0.6553 0.8161 0.6250 -0.0454 -0.0371 -0.0278 459 ALA B N 3603 C CA . ALA B 130 ? 0.6056 0.7641 0.5821 -0.0474 -0.0403 -0.0244 459 ALA B CA 3604 C C . ALA B 130 ? 0.6099 0.7709 0.5878 -0.0488 -0.0395 -0.0186 459 ALA B C 3605 O O . ALA B 130 ? 0.6460 0.8106 0.6224 -0.0488 -0.0360 -0.0173 459 ALA B O 3606 C CB . ALA B 130 ? 0.5732 0.7269 0.5579 -0.0468 -0.0402 -0.0265 459 ALA B CB 3607 N N . ASN B 131 ? 0.5948 0.7537 0.5748 -0.0501 -0.0431 -0.0151 460 ASN B N 3608 C CA . ASN B 131 ? 0.5685 0.7264 0.5485 -0.0516 -0.0433 -0.0094 460 ASN B CA 3609 C C . ASN B 131 ? 0.6316 0.7851 0.6200 -0.0508 -0.0427 -0.0083 460 ASN B C 3610 O O . ASN B 131 ? 0.6120 0.7629 0.6059 -0.0495 -0.0452 -0.0091 460 ASN B O 3611 C CB . ASN B 131 ? 0.5806 0.7374 0.5559 -0.0524 -0.0478 -0.0062 460 ASN B CB 3612 C CG . ASN B 131 ? 0.6929 0.8458 0.6661 -0.0538 -0.0487 -0.0002 460 ASN B CG 3613 O OD1 . ASN B 131 ? 0.7476 0.8999 0.7206 -0.0554 -0.0458 0.0019 460 ASN B OD1 3614 N ND2 . ASN B 131 ? 0.7294 0.8791 0.7002 -0.0531 -0.0531 0.0026 460 ASN B ND2 3615 N N . ASP B 132 ? 0.7428 0.8965 0.7321 -0.0518 -0.0394 -0.0064 461 ASP B N 3616 C CA . ASP B 132 ? 0.6075 0.7567 0.6034 -0.0514 -0.0386 -0.0049 461 ASP B CA 3617 C C . ASP B 132 ? 0.6669 0.8105 0.6609 -0.0521 -0.0419 0.0000 461 ASP B C 3618 O O . ASP B 132 ? 0.7281 0.8705 0.7153 -0.0548 -0.0420 0.0041 461 ASP B O 3619 C CB . ASP B 132 ? 0.6354 0.7875 0.6317 -0.0527 -0.0343 -0.0042 461 ASP B CB 3620 C CG . ASP B 132 ? 0.6821 0.8298 0.6853 -0.0522 -0.0331 -0.0036 461 ASP B CG 3621 O OD1 . ASP B 132 ? 0.6234 0.7654 0.6305 -0.0511 -0.0355 -0.0027 461 ASP B OD1 3622 O OD2 . ASP B 132 ? 0.6545 0.8054 0.6593 -0.0527 -0.0295 -0.0041 461 ASP B OD2 3623 N N . LEU B 133 ? 0.6379 0.7780 0.6373 -0.0496 -0.0444 -0.0004 462 LEU B N 3624 C CA . LEU B 133 ? 0.6093 0.7434 0.6061 -0.0487 -0.0479 0.0039 462 LEU B CA 3625 C C . LEU B 133 ? 0.6535 0.7806 0.6506 -0.0491 -0.0467 0.0071 462 LEU B C 3626 O O . LEU B 133 ? 0.6770 0.7970 0.6697 -0.0482 -0.0494 0.0108 462 LEU B O 3627 C CB . LEU B 133 ? 0.6149 0.7500 0.6172 -0.0451 -0.0512 0.0022 462 LEU B CB 3628 C CG . LEU B 133 ? 0.7375 0.8787 0.7387 -0.0450 -0.0536 -0.0004 462 LEU B CG 3629 C CD1 . LEU B 133 ? 0.6659 0.8100 0.6742 -0.0423 -0.0565 -0.0020 462 LEU B CD1 3630 C CD2 . LEU B 133 ? 0.7220 0.8626 0.7134 -0.0459 -0.0562 0.0029 462 LEU B CD2 3631 N N . GLY B 134 ? 0.6677 0.7961 0.6692 -0.0503 -0.0429 0.0055 463 GLY B N 3632 C CA . GLY B 134 ? 0.6244 0.7464 0.6259 -0.0514 -0.0416 0.0082 463 GLY B CA 3633 C C . GLY B 134 ? 0.6880 0.8058 0.6970 -0.0479 -0.0420 0.0071 463 GLY B C 3634 O O . GLY B 134 ? 0.6786 0.7901 0.6872 -0.0485 -0.0411 0.0091 463 GLY B O 3635 N N . ASN B 135 ? 0.6144 0.7358 0.6296 -0.0446 -0.0434 0.0041 464 ASN B N 3636 C CA . ASN B 135 ? 0.5327 0.6521 0.5553 -0.0412 -0.0438 0.0031 464 ASN B CA 3637 C C . ASN B 135 ? 0.4878 0.6133 0.5190 -0.0408 -0.0419 -0.0016 464 ASN B C 3638 O O . ASN B 135 ? 0.4475 0.5743 0.4852 -0.0383 -0.0428 -0.0030 464 ASN B O 3639 C CB . ASN B 135 ? 0.5289 0.6468 0.5503 -0.0373 -0.0481 0.0048 464 ASN B CB 3640 C CG . ASN B 135 ? 0.6238 0.7491 0.6453 -0.0371 -0.0505 0.0029 464 ASN B CG 3641 O OD1 . ASN B 135 ? 0.6156 0.7455 0.6359 -0.0400 -0.0492 0.0007 464 ASN B OD1 3642 N ND2 . ASN B 135 ? 0.5670 0.6941 0.5897 -0.0333 -0.0541 0.0038 464 ASN B ND2 3643 N N . GLY B 136 ? 0.4684 0.5976 0.4991 -0.0432 -0.0393 -0.0040 465 GLY B N 3644 C CA . GLY B 136 ? 0.4502 0.5829 0.4866 -0.0430 -0.0377 -0.0086 465 GLY B CA 3645 C C . GLY B 136 ? 0.4954 0.6326 0.5306 -0.0432 -0.0400 -0.0112 465 GLY B C 3646 O O . GLY B 136 ? 0.4944 0.6332 0.5324 -0.0437 -0.0390 -0.0151 465 GLY B O 3647 N N . CYS B 137 ? 0.5053 0.6437 0.5357 -0.0431 -0.0431 -0.0092 466 CYS B N 3648 C CA . CYS B 137 ? 0.5221 0.6648 0.5507 -0.0437 -0.0456 -0.0116 466 CYS B CA 3649 C C . CYS B 137 ? 0.5478 0.6920 0.5683 -0.0454 -0.0449 -0.0121 466 CYS B C 3650 O O . CYS B 137 ? 0.5498 0.6927 0.5648 -0.0461 -0.0442 -0.0090 466 CYS B O 3651 C CB . CYS B 137 ? 0.5577 0.7024 0.5868 -0.0419 -0.0500 -0.0093 466 CYS B CB 3652 S SG . CYS B 137 ? 0.6903 0.8373 0.7295 -0.0394 -0.0511 -0.0097 466 CYS B SG 3653 N N . PHE B 138 ? 0.4465 0.5930 0.4655 -0.0462 -0.0452 -0.0161 467 PHE B N 3654 C CA . PHE B 138 ? 0.4905 0.6388 0.5014 -0.0472 -0.0447 -0.0173 467 PHE B CA 3655 C C . PHE B 138 ? 0.4922 0.6432 0.4997 -0.0480 -0.0487 -0.0185 467 PHE B C 3656 O O . PHE B 138 ? 0.4761 0.6277 0.4865 -0.0487 -0.0503 -0.0217 467 PHE B O 3657 C CB . PHE B 138 ? 0.5058 0.6531 0.5156 -0.0470 -0.0411 -0.0215 467 PHE B CB 3658 C CG . PHE B 138 ? 0.4829 0.6292 0.4954 -0.0461 -0.0372 -0.0203 467 PHE B CG 3659 C CD1 . PHE B 138 ? 0.5043 0.6476 0.5241 -0.0455 -0.0359 -0.0211 467 PHE B CD1 3660 C CD2 . PHE B 138 ? 0.5248 0.6739 0.5324 -0.0464 -0.0348 -0.0183 467 PHE B CD2 3661 C CE1 . PHE B 138 ? 0.4581 0.6008 0.4802 -0.0448 -0.0325 -0.0200 467 PHE B CE1 3662 C CE2 . PHE B 138 ? 0.5201 0.6696 0.5302 -0.0461 -0.0313 -0.0171 467 PHE B CE2 3663 C CZ . PHE B 138 ? 0.4945 0.6405 0.5118 -0.0452 -0.0303 -0.0180 467 PHE B CZ 3664 N N . GLU B 139 ? 0.6617 0.8144 0.6625 -0.0484 -0.0505 -0.0159 468 GLU B N 3665 C CA . GLU B 139 ? 0.5981 0.7539 0.5945 -0.0492 -0.0542 -0.0171 468 GLU B CA 3666 C C . GLU B 139 ? 0.6285 0.7848 0.6172 -0.0502 -0.0526 -0.0206 468 GLU B C 3667 O O . GLU B 139 ? 0.6553 0.8125 0.6381 -0.0501 -0.0505 -0.0191 468 GLU B O 3668 C CB . GLU B 139 ? 0.5918 0.7487 0.5842 -0.0488 -0.0574 -0.0124 468 GLU B CB 3669 C CG . GLU B 139 ? 0.7163 0.8733 0.7146 -0.0467 -0.0606 -0.0096 468 GLU B CG 3670 C CD . GLU B 139 ? 0.9194 1.0756 0.9117 -0.0455 -0.0639 -0.0047 468 GLU B CD 3671 O OE1 . GLU B 139 ? 0.9851 1.1413 0.9688 -0.0470 -0.0640 -0.0036 468 GLU B OE1 3672 O OE2 . GLU B 139 ? 0.9575 1.1128 0.9530 -0.0427 -0.0663 -0.0019 468 GLU B OE2 3673 N N . PHE B 140 ? 0.5089 0.6645 0.4968 -0.0511 -0.0537 -0.0253 469 PHE B N 3674 C CA . PHE B 140 ? 0.5601 0.7147 0.5392 -0.0513 -0.0525 -0.0293 469 PHE B CA 3675 C C . PHE B 140 ? 0.6597 0.8177 0.6306 -0.0520 -0.0549 -0.0278 469 PHE B C 3676 O O . PHE B 140 ? 0.6652 0.8259 0.6371 -0.0529 -0.0589 -0.0252 469 PHE B O 3677 C CB . PHE B 140 ? 0.6221 0.7730 0.6008 -0.0529 -0.0538 -0.0344 469 PHE B CB 3678 C CG . PHE B 140 ? 0.5537 0.6997 0.5373 -0.0521 -0.0508 -0.0367 469 PHE B CG 3679 C CD1 . PHE B 140 ? 0.5372 0.6784 0.5153 -0.0502 -0.0473 -0.0403 469 PHE B CD1 3680 C CD2 . PHE B 140 ? 0.4639 0.6102 0.4573 -0.0530 -0.0516 -0.0353 469 PHE B CD2 3681 C CE1 . PHE B 140 ? 0.5870 0.7231 0.5689 -0.0492 -0.0448 -0.0422 469 PHE B CE1 3682 C CE2 . PHE B 140 ? 0.4706 0.6123 0.4681 -0.0525 -0.0489 -0.0372 469 PHE B CE2 3683 C CZ . PHE B 140 ? 0.5126 0.6487 0.5043 -0.0507 -0.0456 -0.0406 469 PHE B CZ 3684 N N . TRP B 141 ? 0.6891 0.8476 0.6515 -0.0512 -0.0524 -0.0294 470 TRP B N 3685 C CA . TRP B 141 ? 0.7677 0.9293 0.7212 -0.0521 -0.0546 -0.0287 470 TRP B CA 3686 C C . TRP B 141 ? 0.8059 0.9651 0.7534 -0.0531 -0.0570 -0.0339 470 TRP B C 3687 O O . TRP B 141 ? 0.9038 1.0653 0.8452 -0.0545 -0.0603 -0.0336 470 TRP B O 3688 C CB . TRP B 141 ? 0.7856 0.9505 0.7323 -0.0509 -0.0507 -0.0275 470 TRP B CB 3689 C CG . TRP B 141 ? 0.8000 0.9671 0.7504 -0.0513 -0.0490 -0.0218 470 TRP B CG 3690 C CD1 . TRP B 141 ? 0.7566 0.9250 0.7098 -0.0504 -0.0446 -0.0209 470 TRP B CD1 3691 C CD2 . TRP B 141 ? 0.8282 0.9959 0.7792 -0.0529 -0.0520 -0.0162 470 TRP B CD2 3692 N NE1 . TRP B 141 ? 0.7296 0.8988 0.6847 -0.0522 -0.0447 -0.0151 470 TRP B NE1 3693 C CE2 . TRP B 141 ? 0.7460 0.9138 0.6992 -0.0535 -0.0492 -0.0122 470 TRP B CE2 3694 C CE3 . TRP B 141 ? 0.9088 1.0764 0.8577 -0.0538 -0.0570 -0.0141 470 TRP B CE3 3695 C CZ2 . TRP B 141 ? 0.8034 0.9693 0.7557 -0.0550 -0.0512 -0.0063 470 TRP B CZ2 3696 C CZ3 . TRP B 141 ? 0.8754 1.0418 0.8239 -0.0544 -0.0589 -0.0082 470 TRP B CZ3 3697 C CH2 . TRP B 141 ? 0.8342 0.9988 0.7839 -0.0551 -0.0561 -0.0044 470 TRP B CH2 3698 N N . HIS B 142 ? 0.6765 0.8302 0.6249 -0.0528 -0.0556 -0.0385 471 HIS B N 3699 C CA . HIS B 142 ? 0.6329 0.7819 0.5749 -0.0546 -0.0582 -0.0437 471 HIS B CA 3700 C C . HIS B 142 ? 0.7106 0.8579 0.6603 -0.0578 -0.0613 -0.0445 471 HIS B C 3701 O O . HIS B 142 ? 0.7450 0.8940 0.7049 -0.0575 -0.0606 -0.0418 471 HIS B O 3702 C CB . HIS B 142 ? 0.6488 0.7911 0.5831 -0.0519 -0.0545 -0.0488 471 HIS B CB 3703 C CG . HIS B 142 ? 0.7725 0.9108 0.7134 -0.0500 -0.0510 -0.0496 471 HIS B CG 3704 N ND1 . HIS B 142 ? 0.7922 0.9236 0.7362 -0.0521 -0.0523 -0.0523 471 HIS B ND1 3705 C CD2 . HIS B 142 ? 0.7425 0.8829 0.6871 -0.0466 -0.0465 -0.0477 471 HIS B CD2 3706 C CE1 . HIS B 142 ? 0.7329 0.8619 0.6823 -0.0496 -0.0486 -0.0522 471 HIS B CE1 3707 N NE2 . HIS B 142 ? 0.7086 0.8433 0.6586 -0.0462 -0.0451 -0.0495 471 HIS B NE2 3708 N N . LYS B 143 ? 0.7989 0.9433 0.7431 -0.0612 -0.0648 -0.0482 472 LYS B N 3709 C CA . LYS B 143 ? 0.7400 0.8839 0.6907 -0.0652 -0.0678 -0.0492 472 LYS B CA 3710 C C . LYS B 143 ? 0.7517 0.8871 0.7041 -0.0647 -0.0646 -0.0522 472 LYS B C 3711 O O . LYS B 143 ? 0.7300 0.8569 0.6733 -0.0629 -0.0621 -0.0562 472 LYS B O 3712 C CB . LYS B 143 ? 0.7353 0.8785 0.6786 -0.0700 -0.0727 -0.0523 472 LYS B CB 3713 C CG . LYS B 143 ? 0.8015 0.9552 0.7472 -0.0716 -0.0773 -0.0487 472 LYS B CG 3714 C CD . LYS B 143 ? 0.9108 1.0729 0.8702 -0.0716 -0.0788 -0.0443 472 LYS B CD 3715 C CE . LYS B 143 ? 1.0441 1.2166 1.0052 -0.0735 -0.0843 -0.0417 472 LYS B CE 3716 N NZ . LYS B 143 ? 1.0659 1.2384 1.0213 -0.0796 -0.0885 -0.0457 472 LYS B NZ 3717 N N . CYS B 144 ? 0.6795 0.8175 0.6431 -0.0659 -0.0647 -0.0502 473 CYS B N 3718 C CA . CYS B 144 ? 0.6475 0.7778 0.6134 -0.0659 -0.0619 -0.0525 473 CYS B CA 3719 C C . CYS B 144 ? 0.6627 0.7932 0.6329 -0.0717 -0.0653 -0.0536 473 CYS B C 3720 O O . CYS B 144 ? 0.6489 0.7878 0.6302 -0.0727 -0.0665 -0.0502 473 CYS B O 3721 C CB . CYS B 144 ? 0.6247 0.7577 0.6001 -0.0617 -0.0579 -0.0489 473 CYS B CB 3722 S SG . CYS B 144 ? 0.7385 0.8613 0.7140 -0.0597 -0.0533 -0.0518 473 CYS B SG 3723 N N . ASP B 145 ? 0.6717 0.7931 0.6324 -0.0757 -0.0669 -0.0583 474 ASP B N 3724 C CA . ASP B 145 ? 0.7045 0.8261 0.6680 -0.0826 -0.0703 -0.0595 474 ASP B CA 3725 C C . ASP B 145 ? 0.6714 0.7883 0.6415 -0.0826 -0.0673 -0.0595 474 ASP B C 3726 O O . ASP B 145 ? 0.6592 0.7753 0.6339 -0.0770 -0.0631 -0.0578 474 ASP B O 3727 C CB . ASP B 145 ? 0.6045 0.7166 0.5540 -0.0881 -0.0735 -0.0644 474 ASP B CB 3728 C CG . ASP B 145 ? 0.7458 0.8411 0.6817 -0.0848 -0.0704 -0.0690 474 ASP B CG 3729 O OD1 . ASP B 145 ? 0.7410 0.8304 0.6792 -0.0807 -0.0662 -0.0692 474 ASP B OD1 3730 O OD2 . ASP B 145 ? 0.8360 0.9239 0.7582 -0.0861 -0.0723 -0.0727 474 ASP B OD2 3731 N N . ASN B 146 ? 0.6127 0.7267 0.5827 -0.0894 -0.0696 -0.0612 475 ASN B N 3732 C CA . ASN B 146 ? 0.6003 0.7106 0.5766 -0.0902 -0.0673 -0.0609 475 ASN B CA 3733 C C . ASN B 146 ? 0.6676 0.7618 0.6353 -0.0865 -0.0633 -0.0641 475 ASN B C 3734 O O . ASN B 146 ? 0.6693 0.7618 0.6435 -0.0837 -0.0599 -0.0628 475 ASN B O 3735 C CB . ASN B 146 ? 0.4782 0.5901 0.4555 -0.0995 -0.0710 -0.0619 475 ASN B CB 3736 C CG . ASN B 146 ? 0.5574 0.6884 0.5473 -0.1019 -0.0741 -0.0579 475 ASN B CG 3737 O OD1 . ASN B 146 ? 0.5396 0.6809 0.5366 -0.0963 -0.0736 -0.0544 475 ASN B OD1 3738 N ND2 . ASN B 146 ? 0.5741 0.7099 0.5661 -0.1102 -0.0773 -0.0583 475 ASN B ND2 3739 N N . GLU B 147 ? 0.7330 0.8152 0.6858 -0.0859 -0.0637 -0.0682 476 GLU B N 3740 C CA . GLU B 147 ? 0.7891 0.8560 0.7323 -0.0810 -0.0600 -0.0715 476 GLU B CA 3741 C C . GLU B 147 ? 0.7674 0.8390 0.7133 -0.0718 -0.0557 -0.0697 476 GLU B C 3742 O O . GLU B 147 ? 0.7551 0.8201 0.6997 -0.0665 -0.0517 -0.0705 476 GLU B O 3743 C CB . GLU B 147 ? 0.8382 0.8892 0.7627 -0.0833 -0.0622 -0.0769 476 GLU B CB 3744 C CG . GLU B 147 ? 0.8885 0.9280 0.8071 -0.0917 -0.0650 -0.0793 476 GLU B CG 3745 C CD . GLU B 147 ? 1.1130 1.1338 1.0109 -0.0941 -0.0673 -0.0849 476 GLU B CD 3746 O OE1 . GLU B 147 ? 1.1460 1.1647 1.0347 -0.0894 -0.0671 -0.0869 476 GLU B OE1 3747 O OE2 . GLU B 147 ? 1.1517 1.1592 1.0416 -0.1010 -0.0694 -0.0872 476 GLU B OE2 3748 N N . CYS B 148 ? 0.6263 0.7095 0.5756 -0.0703 -0.0565 -0.0672 477 CYS B N 3749 C CA . CYS B 148 ? 0.6299 0.7200 0.5832 -0.0633 -0.0528 -0.0645 477 CYS B CA 3750 C C . CYS B 148 ? 0.7064 0.8034 0.6741 -0.0618 -0.0504 -0.0604 477 CYS B C 3751 O O . CYS B 148 ? 0.6336 0.7294 0.6029 -0.0566 -0.0462 -0.0597 477 CYS B O 3752 C CB . CYS B 148 ? 0.5966 0.6968 0.5496 -0.0631 -0.0548 -0.0624 477 CYS B CB 3753 S SG . CYS B 148 ? 0.7671 0.8768 0.7249 -0.0564 -0.0507 -0.0582 477 CYS B SG 3754 N N . MET B 149 ? 0.7020 0.8067 0.6797 -0.0663 -0.0530 -0.0576 478 MET B N 3755 C CA . MET B 149 ? 0.6042 0.7144 0.5948 -0.0653 -0.0512 -0.0541 478 MET B CA 3756 C C . MET B 149 ? 0.6421 0.7424 0.6320 -0.0644 -0.0481 -0.0561 478 MET B C 3757 O O . MET B 149 ? 0.5987 0.7000 0.5939 -0.0601 -0.0445 -0.0542 478 MET B O 3758 C CB . MET B 149 ? 0.5769 0.6961 0.5765 -0.0703 -0.0548 -0.0518 478 MET B CB 3759 C CG . MET B 149 ? 0.5581 0.6890 0.5613 -0.0699 -0.0576 -0.0486 478 MET B CG 3760 S SD . MET B 149 ? 0.6124 0.7481 0.6197 -0.0632 -0.0545 -0.0442 478 MET B SD 3761 C CE . MET B 149 ? 0.4758 0.6223 0.4841 -0.0636 -0.0589 -0.0410 478 MET B CE 3762 N N . GLU B 150 ? 0.6242 0.7146 0.6068 -0.0687 -0.0498 -0.0598 479 GLU B N 3763 C CA . GLU B 150 ? 0.6471 0.7267 0.6279 -0.0685 -0.0475 -0.0616 479 GLU B CA 3764 C C . GLU B 150 ? 0.6880 0.7598 0.6615 -0.0610 -0.0435 -0.0634 479 GLU B C 3765 O O . GLU B 150 ? 0.6825 0.7495 0.6581 -0.0583 -0.0405 -0.0634 479 GLU B O 3766 C CB . GLU B 150 ? 0.6468 0.7156 0.6188 -0.0755 -0.0506 -0.0652 479 GLU B CB 3767 C CG . GLU B 150 ? 0.7263 0.7848 0.6978 -0.0770 -0.0490 -0.0662 479 GLU B CG 3768 C CD . GLU B 150 ? 0.8764 0.9455 0.8635 -0.0779 -0.0477 -0.0622 479 GLU B CD 3769 O OE1 . GLU B 150 ? 0.8396 0.9040 0.8292 -0.0744 -0.0443 -0.0617 479 GLU B OE1 3770 O OE2 . GLU B 150 ? 0.8312 0.9136 0.8278 -0.0817 -0.0501 -0.0595 479 GLU B OE2 3771 N N . SER B 151 ? 0.6432 0.7149 0.6083 -0.0576 -0.0433 -0.0649 480 SER B N 3772 C CA . SER B 151 ? 0.6198 0.6865 0.5779 -0.0500 -0.0394 -0.0667 480 SER B CA 3773 C C . SER B 151 ? 0.6384 0.7166 0.6071 -0.0454 -0.0359 -0.0624 480 SER B C 3774 O O . SER B 151 ? 0.6753 0.7513 0.6426 -0.0399 -0.0323 -0.0629 480 SER B O 3775 C CB . SER B 151 ? 0.5932 0.6566 0.5381 -0.0475 -0.0402 -0.0698 480 SER B CB 3776 O OG . SER B 151 ? 0.5762 0.6529 0.5257 -0.0469 -0.0406 -0.0668 480 SER B OG 3777 N N . VAL B 152 ? 0.5951 0.6854 0.5737 -0.0478 -0.0372 -0.0583 481 VAL B N 3778 C CA . VAL B 152 ? 0.5716 0.6714 0.5601 -0.0449 -0.0345 -0.0539 481 VAL B CA 3779 C C . VAL B 152 ? 0.6128 0.7104 0.6097 -0.0453 -0.0328 -0.0527 481 VAL B C 3780 O O . VAL B 152 ? 0.5791 0.6773 0.5783 -0.0413 -0.0294 -0.0517 481 VAL B O 3781 C CB . VAL B 152 ? 0.5254 0.6360 0.5205 -0.0472 -0.0367 -0.0498 481 VAL B CB 3782 C CG1 . VAL B 152 ? 0.4894 0.6070 0.4934 -0.0451 -0.0343 -0.0453 481 VAL B CG1 3783 C CG2 . VAL B 152 ? 0.5123 0.6258 0.4992 -0.0466 -0.0380 -0.0504 481 VAL B CG2 3784 N N . LYS B 153 ? 0.6252 0.7210 0.6263 -0.0503 -0.0354 -0.0528 482 LYS B N 3785 C CA . LYS B 153 ? 0.5734 0.6670 0.5818 -0.0513 -0.0341 -0.0518 482 LYS B CA 3786 C C . LYS B 153 ? 0.6661 0.7484 0.6682 -0.0484 -0.0314 -0.0548 482 LYS B C 3787 O O . LYS B 153 ? 0.7152 0.7976 0.7230 -0.0464 -0.0288 -0.0533 482 LYS B O 3788 C CB . LYS B 153 ? 0.5489 0.6433 0.5613 -0.0577 -0.0375 -0.0518 482 LYS B CB 3789 C CG . LYS B 153 ? 0.5552 0.6619 0.5758 -0.0596 -0.0400 -0.0484 482 LYS B CG 3790 C CD . LYS B 153 ? 0.6170 0.7260 0.6404 -0.0660 -0.0435 -0.0489 482 LYS B CD 3791 C CE . LYS B 153 ? 0.7084 0.8302 0.7390 -0.0671 -0.0464 -0.0457 482 LYS B CE 3792 N NZ . LYS B 153 ? 0.7264 0.8527 0.7593 -0.0735 -0.0500 -0.0464 482 LYS B NZ 3793 N N . ASN B 154 ? 0.7759 0.8478 0.7655 -0.0480 -0.0322 -0.0590 483 ASN B N 3794 C CA . ASN B 154 ? 0.7380 0.7975 0.7201 -0.0445 -0.0300 -0.0620 483 ASN B CA 3795 C C . ASN B 154 ? 0.7650 0.8256 0.7417 -0.0364 -0.0266 -0.0627 483 ASN B C 3796 O O . ASN B 154 ? 0.7987 0.8498 0.7675 -0.0317 -0.0247 -0.0654 483 ASN B O 3797 C CB . ASN B 154 ? 0.7385 0.7828 0.7081 -0.0485 -0.0327 -0.0663 483 ASN B CB 3798 C CG . ASN B 154 ? 0.8975 0.9366 0.8536 -0.0469 -0.0343 -0.0698 483 ASN B CG 3799 O OD1 . ASN B 154 ? 0.8409 0.8873 0.7959 -0.0418 -0.0327 -0.0694 483 ASN B OD1 3800 N ND2 . ASN B 154 ? 0.9498 0.9757 0.8948 -0.0518 -0.0374 -0.0733 483 ASN B ND2 3801 N N . GLY B 155 ? 0.6136 0.6867 0.5945 -0.0348 -0.0260 -0.0602 484 GLY B N 3802 C CA . GLY B 155 ? 0.6074 0.6860 0.5856 -0.0280 -0.0226 -0.0599 484 GLY B CA 3803 C C . GLY B 155 ? 0.7178 0.7896 0.6815 -0.0231 -0.0222 -0.0643 484 GLY B C 3804 O O . GLY B 155 ? 0.7628 0.8346 0.7220 -0.0162 -0.0191 -0.0655 484 GLY B O 3805 N N . THR B 156 ? 0.7477 0.8141 0.7037 -0.0265 -0.0254 -0.0668 485 THR B N 3806 C CA . THR B 156 ? 0.7349 0.7933 0.6756 -0.0220 -0.0254 -0.0713 485 THR B CA 3807 C C . THR B 156 ? 0.7479 0.8134 0.6858 -0.0242 -0.0274 -0.0710 485 THR B C 3808 O O . THR B 156 ? 0.8154 0.8728 0.7402 -0.0231 -0.0289 -0.0750 485 THR B O 3809 C CB . THR B 156 ? 0.8275 0.8664 0.7563 -0.0239 -0.0277 -0.0759 485 THR B CB 3810 O OG1 . THR B 156 ? 0.8527 0.8897 0.7837 -0.0330 -0.0320 -0.0756 485 THR B OG1 3811 C CG2 . THR B 156 ? 0.7744 0.8051 0.7050 -0.0219 -0.0258 -0.0761 485 THR B CG2 3812 N N . TYR B 157 ? 0.6433 0.7229 0.5925 -0.0271 -0.0277 -0.0663 486 TYR B N 3813 C CA . TYR B 157 ? 0.6344 0.7216 0.5818 -0.0294 -0.0297 -0.0653 486 TYR B CA 3814 C C . TYR B 157 ? 0.7578 0.8463 0.6940 -0.0232 -0.0276 -0.0678 486 TYR B C 3815 O O . TYR B 157 ? 0.8275 0.9215 0.7640 -0.0172 -0.0237 -0.0672 486 TYR B O 3816 C CB . TYR B 157 ? 0.6341 0.7353 0.5944 -0.0319 -0.0296 -0.0595 486 TYR B CB 3817 C CG . TYR B 157 ? 0.6140 0.7237 0.5725 -0.0336 -0.0313 -0.0576 486 TYR B CG 3818 C CD1 . TYR B 157 ? 0.5840 0.6928 0.5420 -0.0388 -0.0357 -0.0576 486 TYR B CD1 3819 C CD2 . TYR B 157 ? 0.5427 0.6621 0.5001 -0.0302 -0.0286 -0.0554 486 TYR B CD2 3820 C CE1 . TYR B 157 ? 0.5091 0.6254 0.4651 -0.0401 -0.0375 -0.0557 486 TYR B CE1 3821 C CE2 . TYR B 157 ? 0.6193 0.7460 0.5745 -0.0321 -0.0302 -0.0534 486 TYR B CE2 3822 C CZ . TYR B 157 ? 0.6256 0.7502 0.5799 -0.0367 -0.0347 -0.0536 486 TYR B CZ 3823 O OH . TYR B 157 ? 0.6098 0.7413 0.5613 -0.0383 -0.0365 -0.0514 486 TYR B OH 3824 N N . ASP B 158 ? 1.0257 1.1098 0.9517 -0.0246 -0.0302 -0.0707 487 ASP B N 3825 C CA . ASP B 158 ? 1.0271 1.1105 0.9401 -0.0185 -0.0285 -0.0739 487 ASP B CA 3826 C C . ASP B 158 ? 1.0410 1.1391 0.9562 -0.0190 -0.0282 -0.0707 487 ASP B C 3827 O O . ASP B 158 ? 1.1070 1.2054 1.0188 -0.0232 -0.0316 -0.0708 487 ASP B O 3828 C CB . ASP B 158 ? 1.1163 1.1837 1.0144 -0.0195 -0.0316 -0.0795 487 ASP B CB 3829 C CG . ASP B 158 ? 1.1877 1.2497 1.0705 -0.0109 -0.0292 -0.0841 487 ASP B CG 3830 O OD1 . ASP B 158 ? 1.2072 1.2783 1.0918 -0.0038 -0.0248 -0.0830 487 ASP B OD1 3831 O OD2 . ASP B 158 ? 1.2107 1.2596 1.0791 -0.0113 -0.0317 -0.0888 487 ASP B OD2 3832 N N . TYR B 159 ? 1.0376 1.1481 0.9580 -0.0151 -0.0243 -0.0676 488 TYR B N 3833 C CA . TYR B 159 ? 1.0360 1.1609 0.9587 -0.0163 -0.0238 -0.0637 488 TYR B CA 3834 C C . TYR B 159 ? 1.1324 1.2580 1.0419 -0.0139 -0.0242 -0.0667 488 TYR B C 3835 O O . TYR B 159 ? 1.1361 1.2670 1.0456 -0.0182 -0.0266 -0.0644 488 TYR B O 3836 C CB . TYR B 159 ? 0.9410 1.0788 0.8703 -0.0130 -0.0193 -0.0601 488 TYR B CB 3837 C CG . TYR B 159 ? 0.9905 1.1427 0.9216 -0.0153 -0.0187 -0.0555 488 TYR B CG 3838 C CD1 . TYR B 159 ? 0.9386 1.0946 0.8782 -0.0219 -0.0212 -0.0505 488 TYR B CD1 3839 C CD2 . TYR B 159 ? 1.0096 1.1715 0.9333 -0.0107 -0.0157 -0.0562 488 TYR B CD2 3840 C CE1 . TYR B 159 ? 0.8676 1.0349 0.8073 -0.0244 -0.0210 -0.0461 488 TYR B CE1 3841 C CE2 . TYR B 159 ? 0.9931 1.1681 0.9177 -0.0137 -0.0152 -0.0518 488 TYR B CE2 3842 C CZ . TYR B 159 ? 0.9717 1.1484 0.9040 -0.0208 -0.0179 -0.0467 488 TYR B CZ 3843 O OH . TYR B 159 ? 0.9766 1.1644 0.9085 -0.0242 -0.0177 -0.0420 488 TYR B OH 3844 N N . PRO B 160 ? 1.3451 1.4651 1.2427 -0.0066 -0.0219 -0.0717 489 PRO B N 3845 C CA . PRO B 160 ? 1.3252 1.4467 1.2098 -0.0037 -0.0219 -0.0745 489 PRO B CA 3846 C C . PRO B 160 ? 1.3185 1.4317 1.1969 -0.0096 -0.0270 -0.0763 489 PRO B C 3847 O O . PRO B 160 ? 1.3174 1.4359 1.1885 -0.0093 -0.0275 -0.0766 489 PRO B O 3848 C CB . PRO B 160 ? 1.3026 1.4149 1.1748 0.0056 -0.0192 -0.0803 489 PRO B CB 3849 C CG . PRO B 160 ? 1.3069 1.4083 1.1839 0.0056 -0.0194 -0.0812 489 PRO B CG 3850 C CD . PRO B 160 ? 1.3056 1.4182 1.2001 0.0001 -0.0190 -0.0749 489 PRO B CD 3851 N N . LYS B 161 ? 1.0635 1.1651 0.9446 -0.0150 -0.0308 -0.0773 490 LYS B N 3852 C CA . LYS B 161 ? 1.0672 1.1640 0.9447 -0.0217 -0.0359 -0.0780 490 LYS B CA 3853 C C . LYS B 161 ? 1.1011 1.2117 0.9893 -0.0272 -0.0377 -0.0720 490 LYS B C 3854 O O . LYS B 161 ? 1.1022 1.2252 0.9975 -0.0256 -0.0348 -0.0677 490 LYS B O 3855 C CB . LYS B 161 ? 1.0032 1.0862 0.8816 -0.0268 -0.0394 -0.0802 490 LYS B CB 3856 C CG . LYS B 161 ? 1.0726 1.1383 0.9382 -0.0225 -0.0386 -0.0862 490 LYS B CG 3857 C CD . LYS B 161 ? 1.0932 1.1471 0.9622 -0.0285 -0.0415 -0.0870 490 LYS B CD 3858 C CE . LYS B 161 ? 1.0388 1.0944 0.9115 -0.0382 -0.0469 -0.0856 490 LYS B CE 3859 N NZ . LYS B 161 ? 1.0051 1.0504 0.8801 -0.0445 -0.0498 -0.0865 490 LYS B NZ 3860 N N . TYR B 162 ? 1.2453 1.3531 1.1335 -0.0336 -0.0427 -0.0718 491 TYR B N 3861 C CA . TYR B 162 ? 1.2794 1.3983 1.1771 -0.0385 -0.0452 -0.0663 491 TYR B CA 3862 C C . TYR B 162 ? 1.3378 1.4683 1.2327 -0.0364 -0.0433 -0.0633 491 TYR B C 3863 O O . TYR B 162 ? 1.2824 1.4222 1.1847 -0.0350 -0.0403 -0.0589 491 TYR B O 3864 C CB . TYR B 162 ? 1.1261 1.2491 1.0393 -0.0403 -0.0444 -0.0618 491 TYR B CB 3865 C CG . TYR B 162 ? 1.1132 1.2259 1.0295 -0.0420 -0.0453 -0.0644 491 TYR B CG 3866 C CD1 . TYR B 162 ? 1.0745 1.1837 0.9939 -0.0381 -0.0414 -0.0652 491 TYR B CD1 3867 C CD2 . TYR B 162 ? 1.1345 1.2415 1.0502 -0.0477 -0.0500 -0.0660 491 TYR B CD2 3868 C CE1 . TYR B 162 ? 1.0359 1.1351 0.9574 -0.0398 -0.0422 -0.0674 491 TYR B CE1 3869 C CE2 . TYR B 162 ? 1.0387 1.1367 0.9566 -0.0501 -0.0508 -0.0682 491 TYR B CE2 3870 C CZ . TYR B 162 ? 1.0775 1.1709 0.9980 -0.0462 -0.0469 -0.0688 491 TYR B CZ 3871 O OH . TYR B 162 ? 1.1177 1.2016 1.0398 -0.0488 -0.0477 -0.0707 491 TYR B OH 3872 C C1 . NAG C . ? 0.7976 0.8008 0.8215 0.0410 -0.0207 -0.0040 601 NAG A C1 3873 C C2 . NAG C . ? 0.8062 0.8238 0.8362 0.0511 -0.0213 -0.0047 601 NAG A C2 3874 C C3 . NAG C . ? 0.8292 0.8463 0.8568 0.0608 -0.0197 -0.0062 601 NAG A C3 3875 C C4 . NAG C . ? 0.8231 0.8466 0.8589 0.0556 -0.0158 -0.0080 601 NAG A C4 3876 C C5 . NAG C . ? 0.8220 0.8299 0.8511 0.0456 -0.0156 -0.0072 601 NAG A C5 3877 C C6 . NAG C . ? 0.8184 0.8325 0.8555 0.0401 -0.0119 -0.0088 601 NAG A C6 3878 C C7 . NAG C . ? 0.7956 0.8189 0.8241 0.0542 -0.0266 -0.0021 601 NAG A C7 3879 C C8 . NAG C . ? 0.8397 0.8529 0.8568 0.0595 -0.0308 0.0000 601 NAG A C8 3880 N N2 . NAG C . ? 0.8142 0.8246 0.8353 0.0556 -0.0252 -0.0028 601 NAG A N2 3881 O O3 . NAG C . ? 0.8344 0.8688 0.8693 0.0698 -0.0200 -0.0068 601 NAG A O3 3882 O O4 . NAG C . ? 0.8452 0.8672 0.8775 0.0645 -0.0142 -0.0094 601 NAG A O4 3883 O O5 . NAG C . ? 0.8008 0.8109 0.8329 0.0375 -0.0170 -0.0058 601 NAG A O5 3884 O O6 . NAG C . ? 0.7985 0.8114 0.8384 0.0290 -0.0115 -0.0080 601 NAG A O6 3885 O O7 . NAG C . ? 0.7673 0.8087 0.8102 0.0488 -0.0248 -0.0031 601 NAG A O7 3886 C C1 . NAG D . ? 1.0669 0.8869 0.8791 -0.0737 0.0398 0.0622 602 NAG A C1 3887 C C2 . NAG D . ? 1.0849 0.8828 0.8845 -0.0705 0.0359 0.0639 602 NAG A C2 3888 C C3 . NAG D . ? 1.0950 0.8811 0.8827 -0.0601 0.0315 0.0661 602 NAG A C3 3889 C C4 . NAG D . ? 1.0746 0.8787 0.8751 -0.0506 0.0303 0.0632 602 NAG A C4 3890 C C5 . NAG D . ? 1.0644 0.8856 0.8731 -0.0558 0.0340 0.0624 602 NAG A C5 3891 C C6 . NAG D . ? 1.0478 0.8861 0.8675 -0.0485 0.0330 0.0598 602 NAG A C6 3892 C C7 . NAG D . ? 1.1076 0.8851 0.8959 -0.0864 0.0373 0.0661 602 NAG A C7 3893 C C8 . NAG D . ? 1.1237 0.8858 0.8976 -0.0987 0.0384 0.0699 602 NAG A C8 3894 N N2 . NAG D . ? 1.1033 0.8857 0.8903 -0.0809 0.0369 0.0671 602 NAG A N2 3895 O O3 . NAG D . ? 1.1082 0.8750 0.8854 -0.0557 0.0280 0.0668 602 NAG A O3 3896 O O4 . NAG D . ? 1.0860 0.8811 0.8757 -0.0408 0.0262 0.0654 602 NAG A O4 3897 O O5 . NAG D . ? 1.0563 0.8880 0.8764 -0.0641 0.0381 0.0600 602 NAG A O5 3898 O O6 . NAG D . ? 1.0505 0.8953 0.8679 -0.0508 0.0346 0.0609 602 NAG A O6 3899 O O7 . NAG D . ? 1.0960 0.8812 0.8961 -0.0823 0.0367 0.0625 602 NAG A O7 3900 C C1 . SIA E . ? 1.3526 1.5421 1.2408 0.0501 0.1511 -0.0346 603 SIA A C1 3901 C C2 . SIA E . ? 1.4378 1.6231 1.3107 0.0531 0.1541 -0.0362 603 SIA A C2 3902 C C3 . SIA E . ? 1.3714 1.5817 1.2494 0.0456 0.1598 -0.0318 603 SIA A C3 3903 C C4 . SIA E . ? 1.3106 1.5188 1.1974 0.0291 0.1570 -0.0256 603 SIA A C4 3904 C C5 . SIA E . ? 1.3036 1.4819 1.1814 0.0242 0.1511 -0.0256 603 SIA A C5 3905 C C6 . SIA E . ? 1.2966 1.4539 1.1701 0.0325 0.1461 -0.0304 603 SIA A C6 3906 C C7 . SIA E . ? 1.2625 1.3924 1.1264 0.0273 0.1404 -0.0304 603 SIA A C7 3907 C C8 . SIA E . ? 1.2525 1.3610 1.1094 0.0352 0.1356 -0.0353 603 SIA A C8 3908 C C9 . SIA E . ? 1.1011 1.1851 0.9502 0.0286 0.1296 -0.0346 603 SIA A C9 3909 C C10 . SIA E . ? 1.1443 1.3026 1.0236 0.0027 0.1448 -0.0178 603 SIA A C10 3910 C C11 . SIA E . ? 1.0845 1.2440 0.9721 -0.0109 0.1430 -0.0117 603 SIA A C11 3911 N N5 . SIA E . ? 1.2077 1.3830 1.0940 0.0103 0.1480 -0.0201 603 SIA A N5 3912 O O1A . SIA E . ? 1.3000 1.4723 1.1914 0.0421 0.1456 -0.0328 603 SIA A O1A 3913 O O1B . SIA E . ? 1.3080 1.5189 1.2051 0.0561 0.1544 -0.0352 603 SIA A O1B 3914 O O4 . SIA E . ? 1.2666 1.4939 1.1545 0.0215 0.1620 -0.0215 603 SIA A O4 3915 O O6 . SIA E . ? 1.3938 1.5527 1.2575 0.0467 0.1491 -0.0359 603 SIA A O6 3916 O O7 . SIA E . ? 1.2562 1.3830 1.1071 0.0269 0.1426 -0.0306 603 SIA A O7 3917 O O8 . SIA E . ? 1.1992 1.3116 1.0685 0.0367 0.1337 -0.0353 603 SIA A O8 3918 O O9 . SIA E . ? 1.0909 1.1547 0.9299 0.0360 0.1257 -0.0395 603 SIA A O9 3919 O O10 . SIA E . ? 1.2126 1.3549 1.0789 0.0067 0.1433 -0.0206 603 SIA A O10 3920 C C1 . GAL F . ? 1.9243 2.0394 1.7335 0.1129 0.1496 -0.0628 604 GAL A C1 3921 C C2 . GAL F . ? 1.9293 2.0492 1.7493 0.1184 0.1479 -0.0634 604 GAL A C2 3922 C C3 . GAL F . ? 1.8332 1.9868 1.6745 0.1135 0.1519 -0.0588 604 GAL A C3 3923 C C4 . GAL F . ? 1.7028 1.8619 1.5547 0.0957 0.1513 -0.0527 604 GAL A C4 3924 C C5 . GAL F . ? 1.7647 1.9163 1.6038 0.0918 0.1528 -0.0526 604 GAL A C5 3925 C C6 . GAL F . ? 1.6372 1.7913 1.4852 0.0746 0.1515 -0.0465 604 GAL A C6 3926 O O1 . GAL F . ? 1.9045 1.9872 1.6938 0.1159 0.1452 -0.0669 604 GAL A O1 3927 O O2 . GAL F . ? 1.9305 2.0456 1.7379 0.1360 0.1494 -0.0691 604 GAL A O2 3928 O O3 . GAL F . ? 1.7099 1.8656 1.5620 0.1164 0.1493 -0.0588 604 GAL A O3 3929 O O4 . GAL F . ? 1.7124 1.8523 1.5693 0.0867 0.1446 -0.0510 604 GAL A O4 3930 O O5 . GAL F . ? 1.8368 1.9572 1.6580 0.0963 0.1484 -0.0569 604 GAL A O5 3931 O O6 . GAL F . ? 1.5981 1.7819 1.4623 0.0691 0.1557 -0.0422 604 GAL A O6 3932 C C1 . NAG G . ? 0.9640 0.9809 0.8939 -0.0517 -0.0395 -0.0773 501 NAG B C1 3933 C C2 . NAG G . ? 1.0259 1.0208 0.9402 -0.0523 -0.0404 -0.0817 501 NAG B C2 3934 C C3 . NAG G . ? 1.1048 1.0878 1.0013 -0.0525 -0.0430 -0.0864 501 NAG B C3 3935 C C4 . NAG G . ? 1.1574 1.1491 1.0570 -0.0608 -0.0471 -0.0855 501 NAG B C4 3936 C C5 . NAG G . ? 1.0581 1.0723 0.9742 -0.0591 -0.0459 -0.0808 501 NAG B C5 3937 C C6 . NAG G . ? 1.0448 1.0693 0.9654 -0.0666 -0.0500 -0.0793 501 NAG B C6 3938 C C7 . NAG G . ? 0.9872 0.9740 0.9060 -0.0446 -0.0349 -0.0805 501 NAG B C7 3939 C C8 . NAG G . ? 0.9898 0.9707 0.9044 -0.0349 -0.0310 -0.0814 501 NAG B C8 3940 N N2 . NAG G . ? 1.0059 0.9945 0.9177 -0.0439 -0.0364 -0.0824 501 NAG B N2 3941 O O3 . NAG G . ? 1.1628 1.1233 1.0437 -0.0544 -0.0444 -0.0903 501 NAG B O3 3942 O O4 . NAG G . ? 1.2531 1.2349 1.1360 -0.0597 -0.0491 -0.0898 501 NAG B O4 3943 O O5 . NAG G . ? 0.9655 0.9885 0.8970 -0.0591 -0.0436 -0.0768 501 NAG B O5 3944 O O6 . NAG G . ? 1.0244 1.0511 0.9525 -0.0753 -0.0527 -0.0777 501 NAG B O6 3945 O O7 . NAG G . ? 0.9767 0.9675 0.9047 -0.0524 -0.0366 -0.0782 501 NAG B O7 3946 C C1 . NAG H . ? 1.4378 1.4095 1.3115 -0.0698 -0.0541 -0.0921 502 NAG B C1 3947 C C2 . NAG H . ? 1.5017 1.4749 1.3662 -0.0696 -0.0564 -0.0943 502 NAG B C2 3948 C C3 . NAG H . ? 1.5996 1.5608 1.4516 -0.0801 -0.0620 -0.0973 502 NAG B C3 3949 C C4 . NAG H . ? 1.6679 1.6034 1.5030 -0.0816 -0.0627 -0.1013 502 NAG B C4 3950 C C5 . NAG H . ? 1.6489 1.5851 1.4950 -0.0816 -0.0601 -0.0985 502 NAG B C5 3951 C C6 . NAG H . ? 1.6375 1.5476 1.4666 -0.0821 -0.0604 -0.1020 502 NAG B C6 3952 C C7 . NAG H . ? 1.5275 1.5322 1.4072 -0.0622 -0.0541 -0.0896 502 NAG B C7 3953 C C8 . NAG H . ? 1.5079 1.4993 1.3712 -0.0533 -0.0515 -0.0941 502 NAG B C8 3954 N N2 . NAG H . ? 1.5339 1.5300 1.4140 -0.0694 -0.0562 -0.0900 502 NAG B N2 3955 O O3 . NAG H . ? 1.6247 1.5852 1.4660 -0.0791 -0.0639 -0.0999 502 NAG B O3 3956 O O4 . NAG H . ? 1.6777 1.6036 1.5025 -0.0935 -0.0682 -0.1034 502 NAG B O4 3957 O O5 . NAG H . ? 1.5752 1.5231 1.4325 -0.0707 -0.0549 -0.0961 502 NAG B O5 3958 O O6 . NAG H . ? 1.5002 1.4107 1.3376 -0.0767 -0.0564 -0.0999 502 NAG B O6 3959 O O7 . NAG H . ? 1.4575 1.4799 1.3492 -0.0627 -0.0542 -0.0857 502 NAG B O7 3960 C C1 . BMA I . ? 1.8224 1.7219 1.6215 -0.0928 -0.0701 -0.1093 503 BMA B C1 3961 C C2 . BMA I . ? 1.8113 1.6934 1.6017 -0.1036 -0.0734 -0.1104 503 BMA B C2 3962 C C3 . BMA I . ? 1.8517 1.7035 1.6134 -0.1055 -0.0765 -0.1165 503 BMA B C3 3963 C C4 . BMA I . ? 1.8784 1.7353 1.6342 -0.1107 -0.0805 -0.1181 503 BMA B C4 3964 C C5 . BMA I . ? 1.9044 1.7767 1.6671 -0.0981 -0.0768 -0.1177 503 BMA B C5 3965 C C6 . BMA I . ? 1.9326 1.8086 1.6876 -0.1018 -0.0805 -0.1197 503 BMA B C6 3966 O O2 . BMA I . ? 1.7712 1.6688 1.5735 -0.1167 -0.0773 -0.1072 503 BMA B O2 3967 O O3 . BMA I . ? 1.7858 1.6201 1.5383 -0.1164 -0.0796 -0.1171 503 BMA B O3 3968 O O4 . BMA I . ? 1.8814 1.7097 1.6097 -0.1151 -0.0844 -0.1238 503 BMA B O4 3969 O O5 . BMA I . ? 1.8164 1.7158 1.6054 -0.0952 -0.0734 -0.1119 503 BMA B O5 3970 O O6 . BMA I . ? 1.8343 1.7268 1.5972 -0.0910 -0.0769 -0.1186 503 BMA B O6 3971 O O . HOH J . ? 0.7526 0.7306 0.7009 -0.0577 0.0553 0.0205 701 HOH A O 3972 O O . HOH J . ? 0.6369 0.6405 0.6619 -0.0584 0.0494 0.0063 702 HOH A O 3973 O O . HOH J . ? 0.8424 0.8320 0.8194 -0.0423 0.0396 -0.0099 703 HOH A O 3974 O O . HOH J . ? 0.8584 0.9986 0.9645 -0.1200 0.0464 0.0002 704 HOH A O 3975 O O . HOH J . ? 0.8523 0.7868 0.7767 -0.0296 0.0312 0.0320 705 HOH A O 3976 O O . HOH J . ? 0.5040 0.5649 0.6018 -0.0341 0.0197 -0.0140 706 HOH A O 3977 O O . HOH J . ? 0.6521 0.9944 0.7357 -0.0402 0.1248 0.0003 707 HOH A O 3978 O O . HOH J . ? 0.7355 0.8959 0.7777 -0.0985 0.0951 0.0147 708 HOH A O 3979 O O . HOH J . ? 0.7204 0.8876 0.7553 -0.0888 0.1006 0.0130 709 HOH A O 3980 O O . HOH J . ? 0.5342 0.5326 0.5229 -0.0350 0.0486 -0.0121 710 HOH A O 3981 O O . HOH J . ? 0.4949 0.6939 0.6408 0.0059 -0.0163 -0.0129 711 HOH A O 3982 O O . HOH J . ? 0.5549 0.6083 0.5194 -0.0787 0.0890 0.0177 712 HOH A O 3983 O O . HOH J . ? 0.7486 0.8623 0.8185 0.0141 -0.0430 0.0018 713 HOH A O 3984 O O . HOH J . ? 0.3839 0.5156 0.4799 -0.0207 -0.0303 -0.0100 714 HOH A O 3985 O O . HOH J . ? 0.5164 0.6763 0.6203 0.0195 0.0593 -0.0226 715 HOH A O 3986 O O . HOH J . ? 0.7199 0.8808 0.8252 0.0478 0.0472 -0.0251 716 HOH A O 3987 O O . HOH J . ? 0.6013 0.7961 0.7587 -0.0330 0.0326 -0.0157 717 HOH A O 3988 O O . HOH J . ? 0.6366 0.7722 0.7723 -0.0629 0.0310 -0.0144 718 HOH A O 3989 O O . HOH J . ? 0.5396 0.6786 0.5933 -0.0378 -0.0433 -0.0108 719 HOH A O 3990 O O . HOH J . ? 0.6389 0.6788 0.6138 0.0073 0.0788 -0.0275 720 HOH A O 3991 O O . HOH J . ? 0.6440 0.7120 0.7115 -0.0792 0.0572 0.0018 721 HOH A O 3992 O O . HOH J . ? 0.5629 0.7081 0.6938 -0.0168 -0.0109 -0.0155 722 HOH A O 3993 O O . HOH J . ? 0.7737 0.7525 0.7330 -0.0444 0.0418 0.0186 723 HOH A O 3994 O O . HOH J . ? 0.5413 0.5862 0.6279 -0.0299 0.0237 -0.0142 724 HOH A O 3995 O O . HOH J . ? 0.8010 0.7604 0.7902 -0.0112 -0.0281 0.0078 725 HOH A O 3996 O O . HOH J . ? 0.6919 0.7667 0.7731 0.0083 0.0413 -0.0223 726 HOH A O 3997 O O . HOH J . ? 0.5984 0.8217 0.7519 0.0187 0.0357 -0.0188 727 HOH A O 3998 O O . HOH J . ? 0.6814 0.6474 0.6636 -0.0349 -0.0308 0.0143 728 HOH A O 3999 O O . HOH J . ? 0.4864 0.6660 0.5561 -0.1369 0.0815 0.0188 729 HOH A O 4000 O O . HOH J . ? 0.4161 0.5667 0.5617 -0.0349 0.0051 -0.0191 730 HOH A O 4001 O O . HOH J . ? 0.7389 0.7263 0.7022 -0.0219 0.0561 -0.0206 731 HOH A O 4002 O O . HOH J . ? 0.3464 0.4306 0.4128 -0.0347 -0.0202 -0.0024 732 HOH A O 4003 O O . HOH J . ? 0.5055 0.5581 0.5581 -0.0397 -0.0160 0.0019 733 HOH A O 4004 O O . HOH J . ? 0.3856 0.4848 0.4694 -0.0330 -0.0172 -0.0092 734 HOH A O 4005 O O . HOH J . ? 0.5582 0.6299 0.6173 -0.0397 -0.0175 0.0004 735 HOH A O 4006 O O . HOH J . ? 0.8392 1.0124 0.9116 0.0427 -0.0642 0.0075 736 HOH A O 4007 O O . HOH J . ? 0.6080 0.7393 0.7381 -0.0465 -0.0050 -0.0229 737 HOH A O 4008 O O . HOH J . ? 0.8022 0.8467 0.8746 0.0119 0.0235 -0.0203 738 HOH A O 4009 O O . HOH J . ? 0.5928 0.6561 0.6822 -0.0132 -0.0024 -0.0106 739 HOH A O 4010 O O . HOH J . ? 0.7022 0.7824 0.7700 -0.0057 0.0574 -0.0202 740 HOH A O 4011 O O . HOH J . ? 0.6500 0.7128 0.7403 -0.0077 0.0002 -0.0119 741 HOH A O 4012 O O . HOH J . ? 0.7446 0.9332 0.8788 0.0359 0.0332 -0.0208 742 HOH A O 4013 O O . HOH K . ? 0.7997 0.9062 0.8752 -0.0747 -0.0278 -0.0403 601 HOH B O 4014 O O . HOH K . ? 1.1289 0.9373 0.8691 -0.1327 -0.0834 -0.1171 602 HOH B O 4015 O O . HOH K . ? 0.5161 0.6908 0.5318 -0.0388 -0.0104 -0.0185 603 HOH B O 4016 O O . HOH K . ? 0.4671 0.4894 0.5137 -0.0367 0.0365 -0.0100 604 HOH B O 4017 O O . HOH K . ? 0.5708 0.7029 0.5714 -0.0197 -0.0116 -0.0443 605 HOH B O 4018 O O . HOH K . ? 0.6253 0.6920 0.7349 -0.0396 0.0230 -0.0165 606 HOH B O 4019 O O . HOH K . ? 0.6904 0.7584 0.7198 -0.0144 -0.0436 0.0100 607 HOH B O 4020 O O . HOH K . ? 0.4986 0.6230 0.4629 -0.1038 -0.0802 -0.0628 608 HOH B O 4021 O O . HOH K . ? 0.5325 0.7109 0.6335 -0.0106 -0.0474 -0.0074 609 HOH B O 4022 O O . HOH K . ? 0.5805 0.6957 0.6384 -0.0346 -0.0116 -0.0304 610 HOH B O 4023 O O . HOH K . ? 0.4438 0.5826 0.5209 -0.0321 -0.0385 -0.0117 611 HOH B O 4024 O O . HOH K . ? 0.8061 0.8782 0.7290 -0.0406 -0.0408 -0.0729 612 HOH B O 4025 O O . HOH K . ? 0.5227 0.6201 0.5882 -0.0341 -0.0082 -0.0339 613 HOH B O 4026 O O . HOH K . ? 0.5746 0.6785 0.6648 -0.0367 0.0009 -0.0159 614 HOH B O 4027 O O . HOH K . ? 0.5711 0.7811 0.7048 -0.0387 -0.0372 -0.0187 615 HOH B O 4028 O O . HOH K . ? 0.5110 0.5018 0.5443 -0.0396 0.0050 -0.0084 616 HOH B O 4029 O O . HOH K . ? 0.4890 0.5187 0.5214 -0.0273 0.0532 -0.0142 617 HOH B O 4030 O O . HOH K . ? 0.3533 0.4430 0.4571 -0.0343 -0.0004 -0.0154 618 HOH B O 4031 O O . HOH K . ? 0.5767 0.6640 0.6207 -0.0464 -0.0238 0.0042 619 HOH B O 4032 O O . HOH K . ? 0.6386 0.6299 0.6578 -0.0214 0.0342 -0.0198 620 HOH B O 4033 O O . HOH K . ? 0.3703 0.4423 0.4325 -0.0439 -0.0131 -0.0003 621 HOH B O 4034 O O . HOH K . ? 0.5550 0.6213 0.6469 -0.0278 0.0178 -0.0146 622 HOH B O 4035 O O . HOH K . ? 0.5377 0.6205 0.5867 -0.0616 -0.0113 0.0061 623 HOH B O 4036 O O . HOH K . ? 0.7689 0.8738 0.7250 -0.0128 -0.0172 -0.0614 624 HOH B O 4037 O O . HOH K . ? 0.7080 0.8807 0.6825 -0.0526 -0.0309 -0.0093 625 HOH B O 4038 O O . HOH K . ? 0.5792 0.7514 0.6041 -0.0924 -0.0747 -0.0456 626 HOH B O 4039 O O . HOH K . ? 0.7220 0.7067 0.6999 -0.0488 0.0292 -0.0109 627 HOH B O 4040 O O . HOH K . ? 0.6790 0.6711 0.7183 -0.0058 0.0052 -0.0129 628 HOH B O 4041 O O . HOH K . ? 0.5093 0.5767 0.5845 -0.0169 0.0108 -0.0272 629 HOH B O 4042 O O . HOH K . ? 0.8890 1.0221 0.9199 -0.0696 -0.0139 0.0101 630 HOH B O 4043 O O . HOH K . ? 0.4382 0.4917 0.5226 -0.0375 0.0209 -0.0099 631 HOH B O 4044 O O . HOH K . ? 0.6568 0.6454 0.6555 -0.0068 0.0454 -0.0252 632 HOH B O 4045 O O . HOH K . ? 0.4527 0.5651 0.5212 -0.0283 -0.0020 -0.0280 633 HOH B O 4046 O O . HOH K . ? 0.5837 0.7961 0.6785 -0.0789 -0.0598 -0.0312 634 HOH B O 4047 O O . HOH K . ? 0.7383 0.7795 0.8210 -0.0358 0.0282 -0.0101 635 HOH B O 4048 O O . HOH K . ? 0.5855 0.6399 0.6813 -0.0315 0.0270 -0.0145 636 HOH B O 4049 O O . HOH K . ? 0.7862 0.7395 0.7235 0.0039 0.0532 -0.0337 637 HOH B O 4050 O O . HOH K . ? 0.7483 0.8365 0.7512 -0.0405 -0.0472 0.0151 638 HOH B O 4051 O O . HOH K . ? 0.7147 0.7806 0.7322 -0.0500 -0.0254 -0.0532 639 HOH B O 4052 O O . HOH K . ? 0.5336 0.5610 0.6012 -0.0253 0.0267 -0.0156 640 HOH B O 4053 O O . HOH K . ? 0.7732 0.8118 0.8302 -0.0437 0.0495 -0.0060 641 HOH B O 4054 O O . HOH K . ? 0.4873 0.5870 0.5609 -0.0315 -0.0036 -0.0299 642 HOH B O 4055 O O . HOH K . ? 0.6837 0.8635 0.7585 -0.0319 -0.0579 -0.0116 643 HOH B O 4056 O O . HOH K . ? 0.8846 0.9579 0.9048 -0.0617 -0.0323 -0.0532 644 HOH B O 4057 O O . HOH K . ? 0.6910 0.8542 0.7531 -0.0335 -0.0552 -0.0106 645 HOH B O 4058 O O . HOH K . ? 0.4325 0.5327 0.4782 -0.0721 -0.0090 0.0095 646 HOH B O 4059 O O . HOH K . ? 0.4674 0.5089 0.5494 -0.0267 0.0271 -0.0152 647 HOH B O 4060 O O . HOH K . ? 0.5696 0.5417 0.5344 -0.0558 0.0225 -0.0125 648 HOH B O 4061 O O . HOH K . ? 0.8204 0.8014 0.7846 -0.0480 0.0326 -0.0106 649 HOH B O # 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 ASP 1 1 1 ASP ASP A . n A 1 2 LYS 2 2 2 LYS LYS A . n A 1 3 ILE 3 3 3 ILE ILE A . n A 1 4 CYS 4 4 4 CYS CYS A . n A 1 5 ILE 5 5 5 ILE ILE A . n A 1 6 GLY 6 6 6 GLY GLY A . n A 1 7 TYR 7 7 7 TYR TYR A . n A 1 8 HIS 8 8 8 HIS HIS A . n A 1 9 ALA 9 9 9 ALA ALA A . n A 1 10 ASN 10 10 10 ASN ASN A . n A 1 11 ASN 11 11 11 ASN ASN A . n A 1 12 SER 12 12 12 SER SER A . n A 1 13 THR 13 13 13 THR THR A . n A 1 14 THR 14 14 14 THR THR A . n A 1 15 GLN 15 15 15 GLN GLN A . n A 1 16 VAL 16 16 16 VAL VAL A . n A 1 17 ASP 17 17 17 ASP ASP A . n A 1 18 THR 18 18 18 THR THR A . n A 1 19 LEU 19 19 19 LEU LEU A . n A 1 20 LEU 20 20 20 LEU LEU A . n A 1 21 GLU 21 21 21 GLU GLU A . n A 1 22 LYS 22 22 22 LYS LYS A . n A 1 23 ASN 23 23 23 ASN ASN A . n A 1 24 VAL 24 24 24 VAL VAL A . n A 1 25 THR 25 25 25 THR THR A . n A 1 26 VAL 26 26 26 VAL VAL A . n A 1 27 THR 27 27 27 THR THR A . n A 1 28 HIS 28 28 28 HIS HIS A . n A 1 29 SER 29 29 29 SER SER A . n A 1 30 VAL 30 30 30 VAL VAL A . n A 1 31 GLU 31 31 31 GLU GLU A . n A 1 32 LEU 32 32 32 LEU LEU A . n A 1 33 LEU 33 33 33 LEU LEU A . n A 1 34 GLU 34 34 34 GLU GLU A . n A 1 35 ASN 35 35 35 ASN ASN A . n A 1 36 GLN 36 36 36 GLN GLN A . n A 1 37 LYS 37 37 37 LYS LYS A . n A 1 38 GLU 38 38 38 GLU GLU A . n A 1 39 LYS 39 39 39 LYS LYS A . n A 1 40 ARG 40 40 40 ARG ARG A . n A 1 41 PHE 41 41 41 PHE PHE A . n A 1 42 CYS 42 42 42 CYS CYS A . n A 1 43 LYS 43 43 43 LYS LYS A . n A 1 44 ILE 44 44 44 ILE ILE A . n A 1 45 MET 45 45 45 MET MET A . n A 1 46 ASN 46 46 46 ASN ASN A . n A 1 47 LYS 47 47 47 LYS LYS A . n A 1 48 ALA 48 48 48 ALA ALA A . n A 1 49 PRO 49 49 49 PRO PRO A . n A 1 50 LEU 50 50 50 LEU LEU A . n A 1 51 ASP 51 51 51 ASP ASP A . n A 1 52 LEU 52 52 52 LEU LEU A . n A 1 53 LYS 53 53 53 LYS LYS A . n A 1 54 ASP 54 54 54 ASP ASP A . n A 1 55 CYS 55 55 55 CYS CYS A . n A 1 56 THR 56 56 56 THR THR A . n A 1 57 ILE 57 57 57 ILE ILE A . n A 1 58 GLU 58 58 58 GLU GLU A . n A 1 59 GLY 59 59 59 GLY GLY A . n A 1 60 TRP 60 60 60 TRP TRP A . n A 1 61 ILE 61 61 61 ILE ILE A . n A 1 62 LEU 62 62 62 LEU LEU A . n A 1 63 GLY 63 63 63 GLY GLY A . n A 1 64 ASN 64 64 64 ASN ASN A . n A 1 65 PRO 65 65 65 PRO PRO A . n A 1 66 LYS 66 66 66 LYS LYS A . n A 1 67 CYS 67 67 67 CYS CYS A . n A 1 68 ASP 68 68 68 ASP ASP A . n A 1 69 LEU 69 69 69 LEU LEU A . n A 1 70 LEU 70 70 70 LEU LEU A . n A 1 71 LEU 71 71 71 LEU LEU A . n A 1 72 GLY 72 72 72 GLY GLY A . n A 1 73 ASP 73 73 73 ASP ASP A . n A 1 74 GLN 74 74 74 GLN GLN A . n A 1 75 SER 75 75 75 SER SER A . n A 1 76 TRP 76 76 76 TRP TRP A . n A 1 77 SER 77 77 77 SER SER A . n A 1 78 TYR 78 78 78 TYR TYR A . n A 1 79 ILE 79 79 79 ILE ILE A . n A 1 80 VAL 80 80 80 VAL VAL A . n A 1 81 GLU 81 81 81 GLU GLU A . n A 1 82 ARG 82 82 82 ARG ARG A . n A 1 83 PRO 83 83 83 PRO PRO A . n A 1 84 ASN 84 84 84 ASN ASN A . n A 1 85 ALA 85 85 85 ALA ALA A . n A 1 86 GLN 86 86 86 GLN GLN A . n A 1 87 ASN 87 87 87 ASN ASN A . n A 1 88 GLY 88 88 88 GLY GLY A . n A 1 89 ILE 89 89 89 ILE ILE A . n A 1 90 CYS 90 90 90 CYS CYS A . n A 1 91 TYR 91 91 91 TYR TYR A . n A 1 92 PRO 92 92 92 PRO PRO A . n A 1 93 GLY 93 93 93 GLY GLY A . n A 1 94 VAL 94 94 94 VAL VAL A . n A 1 95 LEU 95 95 95 LEU LEU A . n A 1 96 ASN 96 96 96 ASN ASN A . n A 1 97 GLU 97 97 97 GLU GLU A . n A 1 98 LEU 98 98 98 LEU LEU A . n A 1 99 GLU 99 99 99 GLU GLU A . n A 1 100 GLU 100 100 100 GLU GLU A . n A 1 101 LEU 101 101 101 LEU LEU A . n A 1 102 LYS 102 102 102 LYS LYS A . n A 1 103 ALA 103 103 103 ALA ALA A . n A 1 104 PHE 104 104 104 PHE PHE A . n A 1 105 ILE 105 105 105 ILE ILE A . n A 1 106 GLY 106 106 106 GLY GLY A . n A 1 107 SER 107 107 107 SER SER A . n A 1 108 GLY 108 108 108 GLY GLY A . n A 1 109 GLU 109 109 109 GLU GLU A . n A 1 110 ARG 110 110 110 ARG ARG A . n A 1 111 VAL 111 111 111 VAL VAL A . n A 1 112 GLU 112 112 112 GLU GLU A . n A 1 113 ARG 113 113 113 ARG ARG A . n A 1 114 PHE 114 114 114 PHE PHE A . n A 1 115 GLU 115 115 115 GLU GLU A . n A 1 116 MET 116 116 116 MET MET A . n A 1 117 PHE 117 117 117 PHE PHE A . n A 1 118 PRO 118 118 118 PRO PRO A . n A 1 119 LYS 119 119 119 LYS LYS A . n A 1 120 SER 120 120 120 SER SER A . n A 1 121 THR 121 121 121 THR THR A . n A 1 122 TRP 122 122 122 TRP TRP A . n A 1 123 ALA 123 123 123 ALA ALA A . n A 1 124 GLY 124 124 124 GLY GLY A . n A 1 125 VAL 125 125 125 VAL VAL A . n A 1 126 ASP 126 126 126 ASP ASP A . n A 1 127 THR 127 127 127 THR THR A . n A 1 128 SER 128 128 128 SER SER A . n A 1 129 ARG 129 129 129 ARG ARG A . n A 1 130 GLY 130 130 130 GLY GLY A . n A 1 131 VAL 131 131 131 VAL VAL A . n A 1 132 THR 132 132 132 THR THR A . n A 1 133 ASN 133 133 133 ASN ASN A . n A 1 134 ALA 134 134 134 ALA ALA A . n A 1 135 CYS 135 135 135 CYS CYS A . n A 1 136 PRO 136 136 136 PRO PRO A . n A 1 137 SER 137 137 137 SER SER A . n A 1 138 TYR 138 138 138 TYR TYR A . n A 1 139 THR 139 139 139 THR THR A . n A 1 140 LEU 140 140 140 LEU LEU A . n A 1 141 ASP 141 141 141 ASP ASP A . n A 1 142 SER 142 142 142 SER SER A . n A 1 143 SER 143 143 143 SER SER A . n A 1 144 PHE 144 144 144 PHE PHE A . n A 1 145 TYR 145 145 145 TYR TYR A . n A 1 146 ARG 146 146 146 ARG ARG A . n A 1 147 ASN 147 147 147 ASN ASN A . n A 1 148 LEU 148 148 148 LEU LEU A . n A 1 149 VAL 149 149 149 VAL VAL A . n A 1 150 TRP 150 150 150 TRP TRP A . n A 1 151 LEU 151 151 151 LEU LEU A . n A 1 152 VAL 152 152 152 VAL VAL A . n A 1 153 LYS 153 153 153 LYS LYS A . n A 1 154 THR 154 154 154 THR THR A . n A 1 155 ASP 155 155 155 ASP ASP A . n A 1 156 SER 156 156 156 SER SER A . n A 1 157 ALA 157 157 157 ALA ALA A . n A 1 158 THR 158 158 158 THR THR A . n A 1 159 TYR 159 159 159 TYR TYR A . n A 1 160 PRO 160 160 160 PRO PRO A . n A 1 161 VAL 161 161 161 VAL VAL A . n A 1 162 ILE 162 162 162 ILE ILE A . n A 1 163 LYS 163 163 163 LYS LYS A . n A 1 164 GLY 164 164 164 GLY GLY A . n A 1 165 THR 165 165 165 THR THR A . n A 1 166 TYR 166 166 166 TYR TYR A . n A 1 167 ASN 167 167 167 ASN ASN A . n A 1 168 ASN 168 168 168 ASN ASN A . n A 1 169 THR 169 169 169 THR THR A . n A 1 170 GLY 170 170 170 GLY GLY A . n A 1 171 THR 171 171 171 THR THR A . n A 1 172 GLN 172 172 172 GLN GLN A . n A 1 173 PRO 173 173 173 PRO PRO A . n A 1 174 ILE 174 174 174 ILE ILE A . n A 1 175 LEU 175 175 175 LEU LEU A . n A 1 176 TYR 176 176 176 TYR TYR A . n A 1 177 PHE 177 177 177 PHE PHE A . n A 1 178 TRP 178 178 178 TRP TRP A . n A 1 179 GLY 179 179 179 GLY GLY A . n A 1 180 VAL 180 180 180 VAL VAL A . n A 1 181 HIS 181 181 181 HIS HIS A . n A 1 182 HIS 182 182 182 HIS HIS A . n A 1 183 PRO 183 183 183 PRO PRO A . n A 1 184 LEU 184 184 184 LEU LEU A . n A 1 185 ASP 185 185 185 ASP ASP A . n A 1 186 THR 186 186 186 THR THR A . n A 1 187 THR 187 187 187 THR THR A . n A 1 188 VAL 188 188 188 VAL VAL A . n A 1 189 GLN 189 189 189 GLN GLN A . n A 1 190 ASP 190 190 190 ASP ASP A . n A 1 191 ASN 191 191 191 ASN ASN A . n A 1 192 LEU 192 192 192 LEU LEU A . n A 1 193 TYR 193 193 193 TYR TYR A . n A 1 194 GLY 194 194 194 GLY GLY A . n A 1 195 SER 195 195 195 SER SER A . n A 1 196 GLY 196 196 196 GLY GLY A . n A 1 197 ASP 197 197 197 ASP ASP A . n A 1 198 LYS 198 198 198 LYS LYS A . n A 1 199 TYR 199 199 199 TYR TYR A . n A 1 200 VAL 200 200 200 VAL VAL A . n A 1 201 ARG 201 201 201 ARG ARG A . n A 1 202 MET 202 202 202 MET MET A . n A 1 203 GLY 203 203 203 GLY GLY A . n A 1 204 THR 204 204 204 THR THR A . n A 1 205 GLU 205 205 205 GLU GLU A . n A 1 206 SER 206 206 206 SER SER A . n A 1 207 MET 207 207 207 MET MET A . n A 1 208 ASN 208 208 208 ASN ASN A . n A 1 209 PHE 209 209 209 PHE PHE A . n A 1 210 ALA 210 210 210 ALA ALA A . n A 1 211 LYS 211 211 211 LYS LYS A . n A 1 212 SER 212 212 212 SER SER A . n A 1 213 PRO 213 213 213 PRO PRO A . n A 1 214 GLU 214 214 214 GLU GLU A . n A 1 215 ILE 215 215 215 ILE ILE A . n A 1 216 ALA 216 216 216 ALA ALA A . n A 1 217 ALA 217 217 217 ALA ALA A . n A 1 218 ARG 218 218 218 ARG ARG A . n A 1 219 PRO 219 219 219 PRO PRO A . n A 1 220 ALA 220 220 220 ALA ALA A . n A 1 221 VAL 221 221 221 VAL VAL A . n A 1 222 ASN 222 222 222 ASN ASN A . n A 1 223 GLY 223 223 223 GLY GLY A . n A 1 224 GLN 224 224 224 GLN GLN A . n A 1 225 ARG 225 225 225 ARG ARG A . n A 1 226 SER 226 226 226 SER SER A . n A 1 227 ARG 227 227 227 ARG ARG A . n A 1 228 ILE 228 228 228 ILE ILE A . n A 1 229 ASP 229 229 229 ASP ASP A . n A 1 230 TYR 230 230 230 TYR TYR A . n A 1 231 TYR 231 231 231 TYR TYR A . n A 1 232 TRP 232 232 232 TRP TRP A . n A 1 233 SER 233 233 233 SER SER A . n A 1 234 VAL 234 234 234 VAL VAL A . n A 1 235 LEU 235 235 235 LEU LEU A . n A 1 236 ARG 236 236 236 ARG ARG A . n A 1 237 PRO 237 237 237 PRO PRO A . n A 1 238 GLY 238 238 238 GLY GLY A . n A 1 239 GLU 239 239 239 GLU GLU A . n A 1 240 THR 240 240 240 THR THR A . n A 1 241 LEU 241 241 241 LEU LEU A . n A 1 242 ASN 242 242 242 ASN ASN A . n A 1 243 VAL 243 243 243 VAL VAL A . n A 1 244 GLU 244 244 244 GLU GLU A . n A 1 245 SER 245 245 245 SER SER A . n A 1 246 ASN 246 246 246 ASN ASN A . n A 1 247 GLY 247 247 247 GLY GLY A . n A 1 248 ASN 248 248 248 ASN ASN A . n A 1 249 LEU 249 249 249 LEU LEU A . n A 1 250 ILE 250 250 250 ILE ILE A . n A 1 251 ALA 251 251 251 ALA ALA A . n A 1 252 PRO 252 252 252 PRO PRO A . n A 1 253 TRP 253 253 253 TRP TRP A . n A 1 254 TYR 254 254 254 TYR TYR A . n A 1 255 ALA 255 255 255 ALA ALA A . n A 1 256 TYR 256 256 256 TYR TYR A . n A 1 257 LYS 257 257 257 LYS LYS A . n A 1 258 PHE 258 258 258 PHE PHE A . n A 1 259 VAL 259 259 259 VAL VAL A . n A 1 260 SER 260 260 260 SER SER A . n A 1 261 THR 261 261 261 THR THR A . n A 1 262 ASN 262 262 262 ASN ASN A . n A 1 263 LYS 263 263 263 LYS LYS A . n A 1 264 LYS 264 264 264 LYS LYS A . n A 1 265 GLY 265 265 265 GLY GLY A . n A 1 266 ALA 266 266 266 ALA ALA A . n A 1 267 VAL 267 267 267 VAL VAL A . n A 1 268 PHE 268 268 268 PHE PHE A . n A 1 269 LYS 269 269 269 LYS LYS A . n A 1 270 SER 270 270 270 SER SER A . n A 1 271 ASP 271 271 271 ASP ASP A . n A 1 272 LEU 272 272 272 LEU LEU A . n A 1 273 PRO 273 273 273 PRO PRO A . n A 1 274 ILE 274 274 274 ILE ILE A . n A 1 275 GLU 275 275 275 GLU GLU A . n A 1 276 ASN 276 276 276 ASN ASN A . n A 1 277 CYS 277 277 277 CYS CYS A . n A 1 278 ASP 278 278 278 ASP ASP A . n A 1 279 ALA 279 279 279 ALA ALA A . n A 1 280 THR 280 280 280 THR THR A . n A 1 281 CYS 281 281 281 CYS CYS A . n A 1 282 GLN 282 282 282 GLN GLN A . n A 1 283 THR 283 283 283 THR THR A . n A 1 284 ILE 284 284 284 ILE ILE A . n A 1 285 THR 285 285 285 THR THR A . n A 1 286 GLY 286 286 286 GLY GLY A . n A 1 287 VAL 287 287 287 VAL VAL A . n A 1 288 LEU 288 288 288 LEU LEU A . n A 1 289 ARG 289 289 289 ARG ARG A . n A 1 290 THR 290 290 290 THR THR A . n A 1 291 ASN 291 291 291 ASN ASN A . n A 1 292 LYS 292 292 292 LYS LYS A . n A 1 293 THR 293 293 293 THR THR A . n A 1 294 PHE 294 294 294 PHE PHE A . n A 1 295 GLN 295 295 295 GLN GLN A . n A 1 296 ASN 296 296 296 ASN ASN A . n A 1 297 VAL 297 297 297 VAL VAL A . n A 1 298 SER 298 298 298 SER SER A . n A 1 299 PRO 299 299 299 PRO PRO A . n A 1 300 LEU 300 300 300 LEU LEU A . n A 1 301 TRP 301 301 301 TRP TRP A . n A 1 302 ILE 302 302 302 ILE ILE A . n A 1 303 GLY 303 303 303 GLY GLY A . n A 1 304 GLU 304 304 304 GLU GLU A . n A 1 305 CYS 305 305 305 CYS CYS A . n A 1 306 PRO 306 306 306 PRO PRO A . n A 1 307 LYS 307 307 307 LYS LYS A . n A 1 308 TYR 308 308 308 TYR TYR A . n A 1 309 VAL 309 309 309 VAL VAL A . n A 1 310 LYS 310 310 310 LYS LYS A . n A 1 311 SER 311 311 311 SER SER A . n A 1 312 GLU 312 312 312 GLU GLU A . n A 1 313 SER 313 313 313 SER SER A . n A 1 314 LEU 314 314 314 LEU LEU A . n A 1 315 ARG 315 315 315 ARG ARG A . n A 1 316 LEU 316 316 316 LEU LEU A . n A 1 317 ALA 317 317 317 ALA ALA A . n A 1 318 THR 318 318 318 THR THR A . n A 1 319 GLY 319 319 319 GLY GLY A . n A 1 320 LEU 320 320 320 LEU LEU A . n A 1 321 ARG 321 321 321 ARG ARG A . n A 1 322 ASN 322 322 322 ASN ASN A . n A 1 323 VAL 323 323 323 VAL VAL A . n A 1 324 PRO 324 324 324 PRO PRO A . n A 1 325 GLN 325 325 325 GLN GLN A . n B 2 1 GLY 1 330 330 GLY GLY B . n B 2 2 ILE 2 331 331 ILE ILE B . n B 2 3 PHE 3 332 332 PHE PHE B . n B 2 4 GLY 4 333 333 GLY GLY B . n B 2 5 ALA 5 334 334 ALA ALA B . n B 2 6 ILE 6 335 335 ILE ILE B . n B 2 7 ALA 7 336 336 ALA ALA B . n B 2 8 GLY 8 337 337 GLY GLY B . n B 2 9 PHE 9 338 338 PHE PHE B . n B 2 10 ILE 10 339 339 ILE ILE B . n B 2 11 GLU 11 340 340 GLU GLU B . n B 2 12 GLY 12 341 341 GLY GLY B . n B 2 13 GLY 13 342 342 GLY GLY B . n B 2 14 TRP 14 343 343 TRP TRP B . n B 2 15 THR 15 344 344 THR THR B . n B 2 16 GLY 16 345 345 GLY GLY B . n B 2 17 MET 17 346 346 MET MET B . n B 2 18 ILE 18 347 347 ILE ILE B . n B 2 19 ASP 19 348 348 ASP ASP B . n B 2 20 GLY 20 349 349 GLY GLY B . n B 2 21 TRP 21 350 350 TRP TRP B . n B 2 22 TYR 22 351 351 TYR TYR B . n B 2 23 GLY 23 352 352 GLY GLY B . n B 2 24 TYR 24 353 353 TYR TYR B . n B 2 25 HIS 25 354 354 HIS HIS B . n B 2 26 HIS 26 355 355 HIS HIS B . n B 2 27 GLU 27 356 356 GLU GLU B . n B 2 28 ASN 28 357 357 ASN ASN B . n B 2 29 SER 29 358 358 SER SER B . n B 2 30 GLN 30 359 359 GLN GLN B . n B 2 31 GLY 31 360 360 GLY GLY B . n B 2 32 SER 32 361 361 SER SER B . n B 2 33 GLY 33 362 362 GLY GLY B . n B 2 34 TYR 34 363 363 TYR TYR B . n B 2 35 ALA 35 364 364 ALA ALA B . n B 2 36 ALA 36 365 365 ALA ALA B . n B 2 37 ASP 37 366 366 ASP ASP B . n B 2 38 ARG 38 367 367 ARG ARG B . n B 2 39 GLU 39 368 368 GLU GLU B . n B 2 40 SER 40 369 369 SER SER B . n B 2 41 THR 41 370 370 THR THR B . n B 2 42 GLN 42 371 371 GLN GLN B . n B 2 43 LYS 43 372 372 LYS LYS B . n B 2 44 ALA 44 373 373 ALA ALA B . n B 2 45 ILE 45 374 374 ILE ILE B . n B 2 46 ASP 46 375 375 ASP ASP B . n B 2 47 GLY 47 376 376 GLY GLY B . n B 2 48 ILE 48 377 377 ILE ILE B . n B 2 49 THR 49 378 378 THR THR B . n B 2 50 ASN 50 379 379 ASN ASN B . n B 2 51 LYS 51 380 380 LYS LYS B . n B 2 52 VAL 52 381 381 VAL VAL B . n B 2 53 ASN 53 382 382 ASN ASN B . n B 2 54 SER 54 383 383 SER SER B . n B 2 55 ILE 55 384 384 ILE ILE B . n B 2 56 ILE 56 385 385 ILE ILE B . n B 2 57 ASN 57 386 386 ASN ASN B . n B 2 58 LYS 58 387 387 LYS LYS B . n B 2 59 MET 59 388 388 MET MET B . n B 2 60 ASN 60 389 389 ASN ASN B . n B 2 61 THR 61 390 390 THR THR B . n B 2 62 GLN 62 391 391 GLN GLN B . n B 2 63 PHE 63 392 392 PHE PHE B . n B 2 64 GLU 64 393 393 GLU GLU B . n B 2 65 ALA 65 394 394 ALA ALA B . n B 2 66 VAL 66 395 395 VAL VAL B . n B 2 67 ASP 67 396 396 ASP ASP B . n B 2 68 HIS 68 397 397 HIS HIS B . n B 2 69 GLU 69 398 398 GLU GLU B . n B 2 70 PHE 70 399 399 PHE PHE B . n B 2 71 SER 71 400 400 SER SER B . n B 2 72 ASN 72 401 401 ASN ASN B . n B 2 73 LEU 73 402 402 LEU LEU B . n B 2 74 GLU 74 403 403 GLU GLU B . n B 2 75 ARG 75 404 404 ARG ARG B . n B 2 76 ARG 76 405 405 ARG ARG B . n B 2 77 ILE 77 406 406 ILE ILE B . n B 2 78 GLY 78 407 407 GLY GLY B . n B 2 79 ASN 79 408 408 ASN ASN B . n B 2 80 LEU 80 409 409 LEU LEU B . n B 2 81 ASN 81 410 410 ASN ASN B . n B 2 82 LYS 82 411 411 LYS LYS B . n B 2 83 ARG 83 412 412 ARG ARG B . n B 2 84 MET 84 413 413 MET MET B . n B 2 85 GLU 85 414 414 GLU GLU B . n B 2 86 ASP 86 415 415 ASP ASP B . n B 2 87 GLY 87 416 416 GLY GLY B . n B 2 88 PHE 88 417 417 PHE PHE B . n B 2 89 LEU 89 418 418 LEU LEU B . n B 2 90 ASP 90 419 419 ASP ASP B . n B 2 91 VAL 91 420 420 VAL VAL B . n B 2 92 TRP 92 421 421 TRP TRP B . n B 2 93 THR 93 422 422 THR THR B . n B 2 94 TYR 94 423 423 TYR TYR B . n B 2 95 ASN 95 424 424 ASN ASN B . n B 2 96 ALA 96 425 425 ALA ALA B . n B 2 97 GLU 97 426 426 GLU GLU B . n B 2 98 LEU 98 427 427 LEU LEU B . n B 2 99 LEU 99 428 428 LEU LEU B . n B 2 100 VAL 100 429 429 VAL VAL B . n B 2 101 LEU 101 430 430 LEU LEU B . n B 2 102 LEU 102 431 431 LEU LEU B . n B 2 103 GLU 103 432 432 GLU GLU B . n B 2 104 ASN 104 433 433 ASN ASN B . n B 2 105 GLU 105 434 434 GLU GLU B . n B 2 106 ARG 106 435 435 ARG ARG B . n B 2 107 THR 107 436 436 THR THR B . n B 2 108 LEU 108 437 437 LEU LEU B . n B 2 109 ASP 109 438 438 ASP ASP B . n B 2 110 LEU 110 439 439 LEU LEU B . n B 2 111 HIS 111 440 440 HIS HIS B . n B 2 112 ASP 112 441 441 ASP ASP B . n B 2 113 ALA 113 442 442 ALA ALA B . n B 2 114 ASN 114 443 443 ASN ASN B . n B 2 115 VAL 115 444 444 VAL VAL B . n B 2 116 LYS 116 445 445 LYS LYS B . n B 2 117 ASN 117 446 446 ASN ASN B . n B 2 118 LEU 118 447 447 LEU LEU B . n B 2 119 TYR 119 448 448 TYR TYR B . n B 2 120 GLU 120 449 449 GLU GLU B . n B 2 121 LYS 121 450 450 LYS LYS B . n B 2 122 VAL 122 451 451 VAL VAL B . n B 2 123 LYS 123 452 452 LYS LYS B . n B 2 124 SER 124 453 453 SER SER B . n B 2 125 GLN 125 454 454 GLN GLN B . n B 2 126 LEU 126 455 455 LEU LEU B . n B 2 127 ARG 127 456 456 ARG ARG B . n B 2 128 ASP 128 457 457 ASP ASP B . n B 2 129 ASN 129 458 458 ASN ASN B . n B 2 130 ALA 130 459 459 ALA ALA B . n B 2 131 ASN 131 460 460 ASN ASN B . n B 2 132 ASP 132 461 461 ASP ASP B . n B 2 133 LEU 133 462 462 LEU LEU B . n B 2 134 GLY 134 463 463 GLY GLY B . n B 2 135 ASN 135 464 464 ASN ASN B . n B 2 136 GLY 136 465 465 GLY GLY B . n B 2 137 CYS 137 466 466 CYS CYS B . n B 2 138 PHE 138 467 467 PHE PHE B . n B 2 139 GLU 139 468 468 GLU GLU B . n B 2 140 PHE 140 469 469 PHE PHE B . n B 2 141 TRP 141 470 470 TRP TRP B . n B 2 142 HIS 142 471 471 HIS HIS B . n B 2 143 LYS 143 472 472 LYS LYS B . n B 2 144 CYS 144 473 473 CYS CYS B . n B 2 145 ASP 145 474 474 ASP ASP B . n B 2 146 ASN 146 475 475 ASN ASN B . n B 2 147 GLU 147 476 476 GLU GLU B . n B 2 148 CYS 148 477 477 CYS CYS B . n B 2 149 MET 149 478 478 MET MET B . n B 2 150 GLU 150 479 479 GLU GLU B . n B 2 151 SER 151 480 480 SER SER B . n B 2 152 VAL 152 481 481 VAL VAL B . n B 2 153 LYS 153 482 482 LYS LYS B . n B 2 154 ASN 154 483 483 ASN ASN B . n B 2 155 GLY 155 484 484 GLY GLY B . n B 2 156 THR 156 485 485 THR THR B . n B 2 157 TYR 157 486 486 TYR TYR B . n B 2 158 ASP 158 487 487 ASP ASP B . n B 2 159 TYR 159 488 488 TYR TYR B . n B 2 160 PRO 160 489 489 PRO PRO B . n B 2 161 LYS 161 490 490 LYS LYS B . n B 2 162 TYR 162 491 491 TYR TYR 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 1 601 601 NAG NAG A . D 3 NAG 1 602 602 NAG NAG A . E 4 SIA 1 603 801 SIA SIA A . F 5 GAL 2 604 802 GAL GAL A . G 3 NAG 1 501 604 NAG NAG B . H 3 NAG 2 502 605 NAG NAG B . I 6 BMA 3 503 606 BMA BMA B . J 7 HOH 1 701 20 HOH HOH A . J 7 HOH 2 702 34 HOH HOH A . J 7 HOH 3 703 66 HOH HOH A . J 7 HOH 4 704 53 HOH HOH A . J 7 HOH 5 705 67 HOH HOH A . J 7 HOH 6 706 3 HOH HOH A . J 7 HOH 7 707 70 HOH HOH A . J 7 HOH 8 708 5 HOH HOH A . J 7 HOH 9 709 51 HOH HOH A . J 7 HOH 10 710 10 HOH HOH A . J 7 HOH 11 711 14 HOH HOH A . J 7 HOH 12 712 12 HOH HOH A . J 7 HOH 13 713 46 HOH HOH A . J 7 HOH 14 714 1 HOH HOH A . J 7 HOH 15 715 25 HOH HOH A . J 7 HOH 16 716 91 HOH HOH A . J 7 HOH 17 717 61 HOH HOH A . J 7 HOH 18 718 33 HOH HOH A . J 7 HOH 19 719 28 HOH HOH A . J 7 HOH 20 720 40 HOH HOH A . J 7 HOH 21 721 60 HOH HOH A . J 7 HOH 22 722 79 HOH HOH A . J 7 HOH 23 723 82 HOH HOH A . J 7 HOH 24 724 39 HOH HOH A . J 7 HOH 25 725 43 HOH HOH A . J 7 HOH 26 726 47 HOH HOH A . J 7 HOH 27 727 44 HOH HOH A . J 7 HOH 28 728 88 HOH HOH A . J 7 HOH 29 729 50 HOH HOH A . J 7 HOH 30 730 37 HOH HOH A . J 7 HOH 31 731 17 HOH HOH A . J 7 HOH 32 732 2 HOH HOH A . J 7 HOH 33 733 45 HOH HOH A . J 7 HOH 34 734 13 HOH HOH A . J 7 HOH 35 735 38 HOH HOH A . J 7 HOH 36 736 56 HOH HOH A . J 7 HOH 37 737 55 HOH HOH A . J 7 HOH 38 738 84 HOH HOH A . J 7 HOH 39 739 7 HOH HOH A . J 7 HOH 40 740 22 HOH HOH A . J 7 HOH 41 741 29 HOH HOH A . J 7 HOH 42 742 86 HOH HOH A . K 7 HOH 1 601 85 HOH HOH B . K 7 HOH 2 602 68 HOH HOH B . K 7 HOH 3 603 90 HOH HOH B . K 7 HOH 4 604 19 HOH HOH B . K 7 HOH 5 605 87 HOH HOH B . K 7 HOH 6 606 76 HOH HOH B . K 7 HOH 7 607 71 HOH HOH B . K 7 HOH 8 608 72 HOH HOH B . K 7 HOH 9 609 64 HOH HOH B . K 7 HOH 10 610 89 HOH HOH B . K 7 HOH 11 611 15 HOH HOH B . K 7 HOH 12 612 11 HOH HOH B . K 7 HOH 13 613 42 HOH HOH B . K 7 HOH 14 614 21 HOH HOH B . K 7 HOH 15 615 62 HOH HOH B . K 7 HOH 16 616 6 HOH HOH B . K 7 HOH 17 617 23 HOH HOH B . K 7 HOH 18 618 8 HOH HOH B . K 7 HOH 19 619 77 HOH HOH B . K 7 HOH 20 620 41 HOH HOH B . K 7 HOH 21 621 18 HOH HOH B . K 7 HOH 22 622 74 HOH HOH B . K 7 HOH 23 623 30 HOH HOH B . K 7 HOH 24 624 35 HOH HOH B . K 7 HOH 25 625 36 HOH HOH B . K 7 HOH 26 626 24 HOH HOH B . K 7 HOH 27 627 48 HOH HOH B . K 7 HOH 28 628 32 HOH HOH B . K 7 HOH 29 629 16 HOH HOH B . K 7 HOH 30 630 81 HOH HOH B . K 7 HOH 31 631 4 HOH HOH B . K 7 HOH 32 632 49 HOH HOH B . K 7 HOH 33 633 27 HOH HOH B . K 7 HOH 34 634 58 HOH HOH B . K 7 HOH 35 635 69 HOH HOH B . K 7 HOH 36 636 80 HOH HOH B . K 7 HOH 37 637 57 HOH HOH B . K 7 HOH 38 638 78 HOH HOH B . K 7 HOH 39 639 54 HOH HOH B . K 7 HOH 40 640 59 HOH HOH B . K 7 HOH 41 641 52 HOH HOH B . K 7 HOH 42 642 9 HOH HOH B . K 7 HOH 43 643 26 HOH HOH B . K 7 HOH 44 644 83 HOH HOH B . K 7 HOH 45 645 65 HOH HOH B . K 7 HOH 46 646 75 HOH HOH B . K 7 HOH 47 647 73 HOH HOH B . K 7 HOH 48 648 31 HOH HOH B . K 7 HOH 49 649 63 HOH HOH B . # _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 hexameric _pdbx_struct_assembly.oligomeric_count 6 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2,3 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K # 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)' 34020 ? 1 MORE -124 ? 1 'SSA (A^2)' 60010 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 2_545 -y,x-y-1,z -0.5000000000 -0.8660254038 0.0000000000 57.1935000000 0.8660254038 -0.5000000000 0.0000000000 -99.0620478627 0.0000000000 0.0000000000 1.0000000000 0.0000000000 3 'crystal symmetry operation' 3_655 -x+y+1,-x,z -0.5000000000 0.8660254038 0.0000000000 114.3870000000 -0.8660254038 -0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2016-04-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_refine_tls.id 1 _pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls.details ? _pdbx_refine_tls.method refined _pdbx_refine_tls.origin_x 40.9197 _pdbx_refine_tls.origin_y -39.7975 _pdbx_refine_tls.origin_z -8.1414 _pdbx_refine_tls.T[1][1] 0.2157 _pdbx_refine_tls.T[1][1]_esd ? _pdbx_refine_tls.T[1][2] -0.0358 _pdbx_refine_tls.T[1][2]_esd ? _pdbx_refine_tls.T[1][3] 0.0385 _pdbx_refine_tls.T[1][3]_esd ? _pdbx_refine_tls.T[2][2] 0.2971 _pdbx_refine_tls.T[2][2]_esd ? _pdbx_refine_tls.T[2][3] -0.0144 _pdbx_refine_tls.T[2][3]_esd ? _pdbx_refine_tls.T[3][3] 0.3229 _pdbx_refine_tls.T[3][3]_esd ? _pdbx_refine_tls.L[1][1] 0.2354 _pdbx_refine_tls.L[1][1]_esd ? _pdbx_refine_tls.L[1][2] 0.0121 _pdbx_refine_tls.L[1][2]_esd ? _pdbx_refine_tls.L[1][3] 0.1441 _pdbx_refine_tls.L[1][3]_esd ? _pdbx_refine_tls.L[2][2] 0.2225 _pdbx_refine_tls.L[2][2]_esd ? _pdbx_refine_tls.L[2][3] -0.0826 _pdbx_refine_tls.L[2][3]_esd ? _pdbx_refine_tls.L[3][3] 1.2770 _pdbx_refine_tls.L[3][3]_esd ? _pdbx_refine_tls.S[1][1] -0.0054 _pdbx_refine_tls.S[1][1]_esd ? _pdbx_refine_tls.S[1][2] -0.0377 _pdbx_refine_tls.S[1][2]_esd ? _pdbx_refine_tls.S[1][3] -0.0164 _pdbx_refine_tls.S[1][3]_esd ? _pdbx_refine_tls.S[2][1] 0.0644 _pdbx_refine_tls.S[2][1]_esd ? _pdbx_refine_tls.S[2][2] -0.0012 _pdbx_refine_tls.S[2][2]_esd ? _pdbx_refine_tls.S[2][3] 0.0888 _pdbx_refine_tls.S[2][3]_esd ? _pdbx_refine_tls.S[3][1] -0.0009 _pdbx_refine_tls.S[3][1]_esd ? _pdbx_refine_tls.S[3][2] -0.2163 _pdbx_refine_tls.S[3][2]_esd ? _pdbx_refine_tls.S[3][3] -0.0000 _pdbx_refine_tls.S[3][3]_esd ? # _pdbx_refine_tls_group.id 1 _pdbx_refine_tls_group.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls_group.refine_tls_id 1 _pdbx_refine_tls_group.beg_label_asym_id ? _pdbx_refine_tls_group.beg_label_seq_id ? _pdbx_refine_tls_group.beg_auth_asym_id ? _pdbx_refine_tls_group.beg_auth_seq_id ? _pdbx_refine_tls_group.end_label_asym_id ? _pdbx_refine_tls_group.end_label_seq_id ? _pdbx_refine_tls_group.end_auth_asym_id ? _pdbx_refine_tls_group.end_auth_seq_id ? _pdbx_refine_tls_group.selection ? _pdbx_refine_tls_group.selection_details all # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? 'data processing' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 1 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 2 ? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot ? ? ? . 3 ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.8.3_1479 4 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? SCALA ? ? ? . 5 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? SCALEPACK ? ? ? . 6 # 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 OD2 A ASP 126 ? ? NH1 A ARG 129 ? ? 2.12 2 1 O A HOH 739 ? ? O A HOH 741 ? ? 2.13 3 1 ND2 A ASN 167 ? ? O5 A NAG 602 ? ? 2.18 # 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 46 ? ? 32.37 43.90 2 1 LYS A 53 ? ? 57.87 -125.74 3 1 CYS A 135 ? ? -117.35 68.40 4 1 SER A 143 ? ? -132.04 -157.24 5 1 ASP A 155 ? ? 24.13 -65.03 6 1 SER A 156 ? ? -167.72 -37.41 7 1 TRP A 253 ? ? -107.79 -71.86 8 1 LYS A 263 ? ? -72.17 -155.64 9 1 ASP B 396 ? ? -111.67 63.14 10 1 ARG B 456 ? ? 54.39 -121.16 11 1 ASP B 474 ? ? -76.97 -165.74 12 1 LYS B 490 ? ? -70.49 -165.97 # _pdbx_unobs_or_zero_occ_atoms.id 1 _pdbx_unobs_or_zero_occ_atoms.PDB_model_num 1 _pdbx_unobs_or_zero_occ_atoms.polymer_flag Y _pdbx_unobs_or_zero_occ_atoms.occupancy_flag 1 _pdbx_unobs_or_zero_occ_atoms.auth_asym_id A _pdbx_unobs_or_zero_occ_atoms.auth_comp_id THR _pdbx_unobs_or_zero_occ_atoms.auth_seq_id 121 _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code ? _pdbx_unobs_or_zero_occ_atoms.auth_atom_id CG2 _pdbx_unobs_or_zero_occ_atoms.label_alt_id ? _pdbx_unobs_or_zero_occ_atoms.label_asym_id A _pdbx_unobs_or_zero_occ_atoms.label_comp_id THR _pdbx_unobs_or_zero_occ_atoms.label_seq_id 121 _pdbx_unobs_or_zero_occ_atoms.label_atom_id CG2 # 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 N 0 A NAG 601 ? C NAG ? 2 1 N 0 A NAG 602 ? D NAG ? 3 1 N 0 B NAG 501 ? G NAG ? # loop_ _pdbx_audit_support.funding_organization _pdbx_audit_support.country _pdbx_audit_support.grant_number _pdbx_audit_support.ordinal 'China Ministry of Science and Technology National 973 Project' China 2011CB504703 1 'Intramural Special Grant for Influenza Virus Research from the Chinese Academy of Sciences' China KJZD-EW-L09 2 'Intramural Special Grant for Strategic Priority Research Program of the Chinese Academy of Sciences' China XDB08020100 3 'National Natural Science Foundation of China' China 31402196 4 'China National Grand S&T Special Project' China 2014ZX10004002 5 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 N-ACETYL-D-GLUCOSAMINE NAG 4 'O-SIALIC ACID' SIA 5 BETA-D-GALACTOSE GAL 6 BETA-D-MANNOSE BMA 7 water HOH #