data_3SI0 # _entry.id 3SI0 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3SI0 RCSB RCSB066226 WWPDB D_1000066226 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3SI1 'Structure of glycosylated murine glutaminyl cyclase' unspecified PDB 3SI2 'Structure of glycosylated murine glutaminyl cyclase in presence of the inhibitor PQ50 (PDBD150)' unspecified # _pdbx_database_status.entry_id 3SI0 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2011-06-17 _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Parthier, C.' 1 'Carrillo, D.' 2 'Stubbs, M.T.' 3 # _citation.id primary _citation.title 'Structures of Glycosylated Mammalian Glutaminyl Cyclases Reveal Conformational Variability near the Active Center.' _citation.journal_abbrev Biochemistry _citation.journal_volume 50 _citation.page_first 6280 _citation.page_last 6288 _citation.year 2011 _citation.journal_id_ASTM BICHAW _citation.country US _citation.journal_id_ISSN 0006-2960 _citation.journal_id_CSD 0033 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 21671571 _citation.pdbx_database_id_DOI 10.1021/bi200249h # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Ruiz-Carrillo, D.' 1 primary 'Koch, B.' 2 primary 'Parthier, C.' 3 primary 'Wermann, M.' 4 primary 'Dambe, T.' 5 primary 'Buchholz, M.' 6 primary 'Ludwig, H.H.' 7 primary 'Heiser, U.' 8 primary 'Rahfeld, J.U.' 9 primary 'Stubbs, M.T.' 10 primary 'Schilling, S.' 11 primary 'Demuth, H.U.' 12 # _cell.entry_id 3SI0 _cell.length_a 82.408 _cell.length_b 63.688 _cell.length_c 77.159 _cell.angle_alpha 90.00 _cell.angle_beta 105.76 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3SI0 _symmetry.space_group_name_H-M 'C 1 2 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 5 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Glutaminyl-peptide cyclotransferase' 37873.719 1 2.3.2.5 ? 'UNP residues 38-361' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 3 non-polymer syn 'ZINC ION' 65.409 1 ? ? ? ? 4 non-polymer syn IMIDAZOLE 69.085 1 ? ? ? ? 5 non-polymer syn 'CHLORIDE ION' 35.453 1 ? ? ? ? 6 water nat water 18.015 150 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Glutaminyl cyclase, QC, sQC, Glutaminyl-tRNA cyclotransferase, Glutamyl cyclase, EC' # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;HHHHHHEEKNYHQPAILNSSALRQIAEGTSISEMWQNDLQPLLIERYPGSPGSYAARQHIMQRIQRLQADWVLEIDTFLS QTPYGYRSFSNIISTLNPTAKRHLVLACHYDSKYFSHWNNRVFVGATDSAVPCAMMLELARALDKKLLSLKTVSDSKPDL SLQLIFFDGEEAFLHWSPQDSLYGSRHLAAKMASTPHPPGARGTSQLHGMDLLVLLDLIGAPNPTFPNFFPNSARWFERL QAIEHELHELGLLKDHSLEGRYFQNYSYGGVIQDDHIPFLRRGVPVLHLIPSPFPEVWHTMDDNEENLDESTIDNLNKIL QVFVLEYLHL ; _entity_poly.pdbx_seq_one_letter_code_can ;HHHHHHEEKNYHQPAILNSSALRQIAEGTSISEMWQNDLQPLLIERYPGSPGSYAARQHIMQRIQRLQADWVLEIDTFLS QTPYGYRSFSNIISTLNPTAKRHLVLACHYDSKYFSHWNNRVFVGATDSAVPCAMMLELARALDKKLLSLKTVSDSKPDL SLQLIFFDGEEAFLHWSPQDSLYGSRHLAAKMASTPHPPGARGTSQLHGMDLLVLLDLIGAPNPTFPNFFPNSARWFERL QAIEHELHELGLLKDHSLEGRYFQNYSYGGVIQDDHIPFLRRGVPVLHLIPSPFPEVWHTMDDNEENLDESTIDNLNKIL QVFVLEYLHL ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 HIS n 1 2 HIS n 1 3 HIS n 1 4 HIS n 1 5 HIS n 1 6 HIS n 1 7 GLU n 1 8 GLU n 1 9 LYS n 1 10 ASN n 1 11 TYR n 1 12 HIS n 1 13 GLN n 1 14 PRO n 1 15 ALA n 1 16 ILE n 1 17 LEU n 1 18 ASN n 1 19 SER n 1 20 SER n 1 21 ALA n 1 22 LEU n 1 23 ARG n 1 24 GLN n 1 25 ILE n 1 26 ALA n 1 27 GLU n 1 28 GLY n 1 29 THR n 1 30 SER n 1 31 ILE n 1 32 SER n 1 33 GLU n 1 34 MET n 1 35 TRP n 1 36 GLN n 1 37 ASN n 1 38 ASP n 1 39 LEU n 1 40 GLN n 1 41 PRO n 1 42 LEU n 1 43 LEU n 1 44 ILE n 1 45 GLU n 1 46 ARG n 1 47 TYR n 1 48 PRO n 1 49 GLY n 1 50 SER n 1 51 PRO n 1 52 GLY n 1 53 SER n 1 54 TYR n 1 55 ALA n 1 56 ALA n 1 57 ARG n 1 58 GLN n 1 59 HIS n 1 60 ILE n 1 61 MET n 1 62 GLN n 1 63 ARG n 1 64 ILE n 1 65 GLN n 1 66 ARG n 1 67 LEU n 1 68 GLN n 1 69 ALA n 1 70 ASP n 1 71 TRP n 1 72 VAL n 1 73 LEU n 1 74 GLU n 1 75 ILE n 1 76 ASP n 1 77 THR n 1 78 PHE n 1 79 LEU n 1 80 SER n 1 81 GLN n 1 82 THR n 1 83 PRO n 1 84 TYR n 1 85 GLY n 1 86 TYR n 1 87 ARG n 1 88 SER n 1 89 PHE n 1 90 SER n 1 91 ASN n 1 92 ILE n 1 93 ILE n 1 94 SER n 1 95 THR n 1 96 LEU n 1 97 ASN n 1 98 PRO n 1 99 THR n 1 100 ALA n 1 101 LYS n 1 102 ARG n 1 103 HIS n 1 104 LEU n 1 105 VAL n 1 106 LEU n 1 107 ALA n 1 108 CYS n 1 109 HIS n 1 110 TYR n 1 111 ASP n 1 112 SER n 1 113 LYS n 1 114 TYR n 1 115 PHE n 1 116 SER n 1 117 HIS n 1 118 TRP n 1 119 ASN n 1 120 ASN n 1 121 ARG n 1 122 VAL n 1 123 PHE n 1 124 VAL n 1 125 GLY n 1 126 ALA n 1 127 THR n 1 128 ASP n 1 129 SER n 1 130 ALA n 1 131 VAL n 1 132 PRO n 1 133 CYS n 1 134 ALA n 1 135 MET n 1 136 MET n 1 137 LEU n 1 138 GLU n 1 139 LEU n 1 140 ALA n 1 141 ARG n 1 142 ALA n 1 143 LEU n 1 144 ASP n 1 145 LYS n 1 146 LYS n 1 147 LEU n 1 148 LEU n 1 149 SER n 1 150 LEU n 1 151 LYS n 1 152 THR n 1 153 VAL n 1 154 SER n 1 155 ASP n 1 156 SER n 1 157 LYS n 1 158 PRO n 1 159 ASP n 1 160 LEU n 1 161 SER n 1 162 LEU n 1 163 GLN n 1 164 LEU n 1 165 ILE n 1 166 PHE n 1 167 PHE n 1 168 ASP n 1 169 GLY n 1 170 GLU n 1 171 GLU n 1 172 ALA n 1 173 PHE n 1 174 LEU n 1 175 HIS n 1 176 TRP n 1 177 SER n 1 178 PRO n 1 179 GLN n 1 180 ASP n 1 181 SER n 1 182 LEU n 1 183 TYR n 1 184 GLY n 1 185 SER n 1 186 ARG n 1 187 HIS n 1 188 LEU n 1 189 ALA n 1 190 ALA n 1 191 LYS n 1 192 MET n 1 193 ALA n 1 194 SER n 1 195 THR n 1 196 PRO n 1 197 HIS n 1 198 PRO n 1 199 PRO n 1 200 GLY n 1 201 ALA n 1 202 ARG n 1 203 GLY n 1 204 THR n 1 205 SER n 1 206 GLN n 1 207 LEU n 1 208 HIS n 1 209 GLY n 1 210 MET n 1 211 ASP n 1 212 LEU n 1 213 LEU n 1 214 VAL n 1 215 LEU n 1 216 LEU n 1 217 ASP n 1 218 LEU n 1 219 ILE n 1 220 GLY n 1 221 ALA n 1 222 PRO n 1 223 ASN n 1 224 PRO n 1 225 THR n 1 226 PHE n 1 227 PRO n 1 228 ASN n 1 229 PHE n 1 230 PHE n 1 231 PRO n 1 232 ASN n 1 233 SER n 1 234 ALA n 1 235 ARG n 1 236 TRP n 1 237 PHE n 1 238 GLU n 1 239 ARG n 1 240 LEU n 1 241 GLN n 1 242 ALA n 1 243 ILE n 1 244 GLU n 1 245 HIS n 1 246 GLU n 1 247 LEU n 1 248 HIS n 1 249 GLU n 1 250 LEU n 1 251 GLY n 1 252 LEU n 1 253 LEU n 1 254 LYS n 1 255 ASP n 1 256 HIS n 1 257 SER n 1 258 LEU n 1 259 GLU n 1 260 GLY n 1 261 ARG n 1 262 TYR n 1 263 PHE n 1 264 GLN n 1 265 ASN n 1 266 TYR n 1 267 SER n 1 268 TYR n 1 269 GLY n 1 270 GLY n 1 271 VAL n 1 272 ILE n 1 273 GLN n 1 274 ASP n 1 275 ASP n 1 276 HIS n 1 277 ILE n 1 278 PRO n 1 279 PHE n 1 280 LEU n 1 281 ARG n 1 282 ARG n 1 283 GLY n 1 284 VAL n 1 285 PRO n 1 286 VAL n 1 287 LEU n 1 288 HIS n 1 289 LEU n 1 290 ILE n 1 291 PRO n 1 292 SER n 1 293 PRO n 1 294 PHE n 1 295 PRO n 1 296 GLU n 1 297 VAL n 1 298 TRP n 1 299 HIS n 1 300 THR n 1 301 MET n 1 302 ASP n 1 303 ASP n 1 304 ASN n 1 305 GLU n 1 306 GLU n 1 307 ASN n 1 308 LEU n 1 309 ASP n 1 310 GLU n 1 311 SER n 1 312 THR n 1 313 ILE n 1 314 ASP n 1 315 ASN n 1 316 LEU n 1 317 ASN n 1 318 LYS n 1 319 ILE n 1 320 LEU n 1 321 GLN n 1 322 VAL n 1 323 PHE n 1 324 VAL n 1 325 LEU n 1 326 GLU n 1 327 TYR n 1 328 LEU n 1 329 HIS n 1 330 LEU n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _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 human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene QPCT _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 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _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 'Pichia pastoris' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 4922 _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 X33 _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 pPICZalphaB _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code QPCT_HUMAN _struct_ref.pdbx_db_accession Q16769 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;EEKNYHQPAILNSSALRQIAEGTSISEMWQNDLQPLLIERYPGSPGSYAARQHIMQRIQRLQADWVLEIDTFLSQTPYGY RSFSNIISTLNPTAKRHLVLACHYDSKYFSHWNNRVFVGATDSAVPCAMMLELARALDKKLLSLKTVSDSKPDLSLQLIF FDGEEAFLHWSPQDSLYGSRHLAAKMASTPHPPGARGTSQLHGMDLLVLLDLIGAPNPTFPNFFPNSARWFERLQAIEHE LHELGLLKDHSLEGRYFQNYSYGGVIQDDHIPFLRRGVPVLHLIPSPFPEVWHTMDDNEENLDESTIDNLNKILQVFVLE YLHL ; _struct_ref.pdbx_align_begin 38 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 3SI0 _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 7 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 330 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q16769 _struct_ref_seq.db_align_beg 38 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 361 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 38 _struct_ref_seq.pdbx_auth_seq_align_end 361 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 3SI0 HIS A 1 ? UNP Q16769 ? ? 'EXPRESSION TAG' 32 1 1 3SI0 HIS A 2 ? UNP Q16769 ? ? 'EXPRESSION TAG' 33 2 1 3SI0 HIS A 3 ? UNP Q16769 ? ? 'EXPRESSION TAG' 34 3 1 3SI0 HIS A 4 ? UNP Q16769 ? ? 'EXPRESSION TAG' 35 4 1 3SI0 HIS A 5 ? UNP Q16769 ? ? 'EXPRESSION TAG' 36 5 1 3SI0 HIS A 6 ? UNP Q16769 ? ? 'EXPRESSION TAG' 37 6 # 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 CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 IMD non-polymer . IMIDAZOLE ? 'C3 H5 N2 1' 69.085 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 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 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.entry_id 3SI0 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.57 _exptl_crystal.density_percent_sol 52.21 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 294 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 8 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '100 mM imidazole, 30% v/v MPD, 11% w/v PEG4000, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 294K' # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'RAYONIX MX-225' _diffrn_detector.pdbx_collection_date 2009-05-26 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'BL 14.1' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9184 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'BESSY BEAMLINE 14.1' _diffrn_source.pdbx_synchrotron_site BESSY _diffrn_source.pdbx_synchrotron_beamline 14.1 _diffrn_source.pdbx_wavelength 0.9184 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 3SI0 _reflns.observed_criterion_sigma_I 0 _reflns.observed_criterion_sigma_F 3 _reflns.d_resolution_low 11.981 _reflns.d_resolution_high 2.100 _reflns.number_obs 21435 _reflns.number_all 21435 _reflns.percent_possible_obs 96.0 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.089 _reflns.pdbx_netI_over_sigmaI 7.1 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 3.0 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? # loop_ _reflns_shell.pdbx_diffrn_id _reflns_shell.pdbx_ordinal _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.percent_possible_all _reflns_shell.Rmerge_I_obs _reflns_shell.pdbx_Rsym_value _reflns_shell.meanI_over_sigI_obs _reflns_shell.pdbx_redundancy _reflns_shell.percent_possible_obs _reflns_shell.number_unique_all _reflns_shell.number_measured_all _reflns_shell.number_measured_obs _reflns_shell.number_unique_obs _reflns_shell.pdbx_chi_squared 1 1 2.100 2.210 96.300 0.409 0.409 1.900 2.600 ? ? ? ? ? ? 1 2 2.210 2.350 97.200 0.300 0.300 2.300 2.800 ? ? ? ? ? ? 1 3 2.350 2.510 97.700 0.221 0.221 3.500 2.900 ? ? ? ? ? ? 1 4 2.510 2.710 97.200 0.157 0.157 4.900 3.000 ? ? ? ? ? ? 1 5 2.710 2.970 97.300 0.113 0.113 6.500 3.100 ? ? ? ? ? ? 1 6 2.970 3.320 96.800 0.081 0.081 8.800 3.100 ? ? ? ? ? ? 1 7 3.320 3.830 96.400 0.069 0.069 9.500 3.100 ? ? ? ? ? ? 1 8 3.830 4.700 95.600 0.060 0.060 9.400 3.200 ? ? ? ? ? ? 1 9 4.700 6.640 94.000 0.056 0.056 10.900 3.200 ? ? ? ? ? ? 1 10 6.640 11.941 75.700 0.057 0.057 9.700 3.300 ? ? ? ? ? ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 3SI0 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 20342 _refine.ls_number_reflns_all 21435 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F . _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 11.98 _refine.ls_d_res_high 2.10 _refine.ls_percent_reflns_obs 95.36 _refine.ls_R_factor_obs 0.20681 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.20382 _refine.ls_R_factor_R_free 0.26358 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 1073 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min 0.500 _refine.occupancy_max 1.000 _refine.correlation_coeff_Fo_to_Fc 0.949 _refine.correlation_coeff_Fo_to_Fc_free 0.911 _refine.B_iso_mean 36.952 _refine.aniso_B[1][1] -1.02 _refine.aniso_B[2][2] -3.81 _refine.aniso_B[3][3] 5.95 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 2.05 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 'PDB ENTRY 2AFM' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.237 _refine.pdbx_overall_ESU_R_Free 0.209 _refine.overall_SU_ML 0.173 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 13.960 _refine.overall_SU_R_Cruickshank_DPI 0.2397 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2536 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 35 _refine_hist.number_atoms_solvent 150 _refine_hist.number_atoms_total 2721 _refine_hist.d_res_high 2.10 _refine_hist.d_res_low 11.98 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.023 0.021 ? 2641 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.996 1.970 ? 3591 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 7.344 5.000 ? 311 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 34.838 23.969 ? 131 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 17.344 15.000 ? 426 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 22.096 15.000 ? 16 'X-RAY DIFFRACTION' ? r_chiral_restr 0.129 0.200 ? 391 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.010 0.021 ? 2041 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 0.971 1.500 ? 1572 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 1.540 2.000 ? 2536 'X-RAY DIFFRACTION' ? r_scbond_it 2.603 3.000 ? 1069 'X-RAY DIFFRACTION' ? r_scangle_it 3.805 4.500 ? 1055 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.100 _refine_ls_shell.d_res_low 2.153 _refine_ls_shell.number_reflns_R_work 1458 _refine_ls_shell.R_factor_R_work 0.287 _refine_ls_shell.percent_reflns_obs 95.40 _refine_ls_shell.R_factor_R_free 0.317 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 78 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_obs ? # _struct.entry_id 3SI0 _struct.title 'Structure of glycosylated human glutaminyl cyclase' _struct.pdbx_descriptor 'Glutaminyl-peptide cyclotransferase (E.C.2.3.2.5)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3SI0 _struct_keywords.pdbx_keywords TRANSFERASE _struct_keywords.text ;alpha/beta hydrolase, Alzheimer's disease, pyroglutamate, pGlu, pE, pGlu-amyloid, glycosylation, glycoprotein, TRANSFERASE ; # 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 2 ? D N N 3 ? E N N 4 ? F N N 5 ? G N N 6 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 GLU A 7 ? HIS A 12 ? GLU A 38 HIS A 43 1 ? 6 HELX_P HELX_P2 2 ASN A 18 ? THR A 29 ? ASN A 49 THR A 60 1 ? 12 HELX_P HELX_P3 3 SER A 30 ? ASP A 38 ? SER A 61 ASP A 69 1 ? 9 HELX_P HELX_P4 4 LEU A 39 ? LEU A 43 ? LEU A 70 LEU A 74 5 ? 5 HELX_P HELX_P5 5 SER A 50 ? ARG A 66 ? SER A 81 ARG A 97 1 ? 17 HELX_P HELX_P6 6 SER A 129 ? LEU A 143 ? SER A 160 LEU A 174 1 ? 15 HELX_P HELX_P7 7 LEU A 143 ? SER A 149 ? LEU A 174 SER A 180 1 ? 7 HELX_P HELX_P8 8 LEU A 182 ? SER A 194 ? LEU A 213 SER A 225 1 ? 13 HELX_P HELX_P9 9 GLN A 206 ? HIS A 208 ? GLN A 237 HIS A 239 5 ? 3 HELX_P HELX_P10 10 PHE A 230 ? ASN A 232 ? PHE A 261 ASN A 263 5 ? 3 HELX_P HELX_P11 11 SER A 233 ? LEU A 250 ? SER A 264 LEU A 281 1 ? 18 HELX_P HELX_P12 12 HIS A 276 ? ARG A 281 ? HIS A 307 ARG A 312 1 ? 6 HELX_P HELX_P13 13 ASP A 309 ? LEU A 328 ? ASP A 340 LEU A 359 1 ? 20 # _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 108 SG ? ? ? 1_555 A CYS 133 SG ? ? A CYS 139 A CYS 164 1_555 ? ? ? ? ? ? ? 2.164 ? covale1 covale ? ? A ASN 18 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 49 A NAG 2 1_555 ? ? ? ? ? ? ? 1.440 ? covale2 covale ? ? C NAG . O4 ? ? ? 1_555 B NAG . C1 ? ? A NAG 2 A NAG 1 1_555 ? ? ? ? ? ? ? 1.452 ? metalc1 metalc ? ? D ZN . ZN ? ? ? 1_555 E IMD . N3 ? ? A ZN 362 A IMD 363 1_555 ? ? ? ? ? ? ? 1.839 ? metalc2 metalc ? ? A ASP 128 OD1 ? ? ? 1_555 D ZN . ZN ? ? A ASP 159 A ZN 362 1_555 ? ? ? ? ? ? ? 1.965 ? metalc3 metalc ? ? A GLU 171 OE2 ? ? ? 1_555 D ZN . ZN ? ? A GLU 202 A ZN 362 1_555 ? ? ? ? ? ? ? 1.980 ? metalc4 metalc ? ? A HIS 299 NE2 ? ? ? 1_555 D ZN . ZN ? ? A HIS 330 A ZN 362 1_555 ? ? ? ? ? ? ? 2.136 ? metalc5 metalc ? ? A ASP 128 OD2 ? ? ? 1_555 D ZN . ZN ? ? A ASP 159 A ZN 362 1_555 ? ? ? ? ? ? ? 2.542 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 ASP 128 A . ? ASP 159 A SER 129 A ? SER 160 A 1 12.60 2 HIS 197 A . ? HIS 228 A PRO 198 A ? PRO 229 A 1 -11.06 3 SER 292 A . ? SER 323 A PRO 293 A ? PRO 324 A 1 8.10 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 6 ? B ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? parallel A 4 5 ? parallel A 5 6 ? parallel B 1 2 ? parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 VAL A 72 ? SER A 80 ? VAL A 103 SER A 111 A 2 ARG A 87 ? THR A 95 ? ARG A 118 THR A 126 A 3 LEU A 160 ? PHE A 167 ? LEU A 191 PHE A 198 A 4 ARG A 102 ? HIS A 109 ? ARG A 133 HIS A 140 A 5 MET A 210 ? LEU A 216 ? MET A 241 LEU A 247 A 6 VAL A 286 ? LEU A 289 ? VAL A 317 LEU A 320 B 1 PHE A 226 ? ASN A 228 ? PHE A 257 ASN A 259 B 2 PHE A 263 ? SER A 267 ? PHE A 294 SER A 298 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N VAL A 72 ? N VAL A 103 O THR A 95 ? O THR A 126 A 2 3 N SER A 94 ? N SER A 125 O LEU A 164 ? O LEU A 195 A 3 4 O ILE A 165 ? O ILE A 196 N LEU A 106 ? N LEU A 137 A 4 5 N ALA A 107 ? N ALA A 138 O LEU A 216 ? O LEU A 247 A 5 6 N LEU A 213 ? N LEU A 244 O LEU A 287 ? O LEU A 318 B 1 2 N ASN A 228 ? N ASN A 259 O TYR A 266 ? O TYR A 297 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 2' AC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG A 1' AC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE ZN A 362' AC4 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE IMD A 363' AC5 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE CL A 364' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 2 NAG B . ? NAG A 1 . ? 1_555 ? 2 AC1 2 ASN A 18 ? ASN A 49 . ? 1_555 ? 3 AC2 1 NAG C . ? NAG A 2 . ? 1_555 ? 4 AC3 5 ASP A 128 ? ASP A 159 . ? 1_555 ? 5 AC3 5 GLU A 171 ? GLU A 202 . ? 1_555 ? 6 AC3 5 TRP A 298 ? TRP A 329 . ? 1_555 ? 7 AC3 5 HIS A 299 ? HIS A 330 . ? 1_555 ? 8 AC3 5 IMD E . ? IMD A 363 . ? 1_555 ? 9 AC4 9 ASP A 128 ? ASP A 159 . ? 1_555 ? 10 AC4 9 GLU A 170 ? GLU A 201 . ? 1_555 ? 11 AC4 9 GLU A 171 ? GLU A 202 . ? 1_555 ? 12 AC4 9 ASP A 217 ? ASP A 248 . ? 1_555 ? 13 AC4 9 LEU A 218 ? LEU A 249 . ? 1_555 ? 14 AC4 9 TRP A 298 ? TRP A 329 . ? 1_555 ? 15 AC4 9 HIS A 299 ? HIS A 330 . ? 1_555 ? 16 AC4 9 ZN D . ? ZN A 362 . ? 1_555 ? 17 AC4 9 HOH G . ? HOH A 482 . ? 1_555 ? 18 AC5 7 TYR A 47 ? TYR A 78 . ? 1_555 ? 19 AC5 7 TYR A 47 ? TYR A 78 . ? 2_554 ? 20 AC5 7 GLY A 49 ? GLY A 80 . ? 1_555 ? 21 AC5 7 SER A 50 ? SER A 81 . ? 2_554 ? 22 AC5 7 SER A 50 ? SER A 81 . ? 1_555 ? 23 AC5 7 ARG A 87 ? ARG A 118 . ? 2_554 ? 24 AC5 7 ARG A 87 ? ARG A 118 . ? 1_555 ? # _atom_sites.entry_id 3SI0 _atom_sites.fract_transf_matrix[1][1] 0.012135 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.003425 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.015702 _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] 0.013466 _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 CL N O S ZN # 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 . GLU A 1 7 ? -25.095 -34.518 -20.434 1.00 62.14 ? 38 GLU A N 1 ATOM 2 C CA . GLU A 1 7 ? -25.630 -35.153 -19.183 1.00 64.50 ? 38 GLU A CA 1 ATOM 3 C C . GLU A 1 7 ? -25.659 -34.165 -18.009 1.00 63.84 ? 38 GLU A C 1 ATOM 4 O O . GLU A 1 7 ? -26.502 -33.261 -17.967 1.00 64.29 ? 38 GLU A O 1 ATOM 5 C CB . GLU A 1 7 ? -24.818 -36.419 -18.835 1.00 64.80 ? 38 GLU A CB 1 ATOM 6 C CG . GLU A 1 7 ? -23.507 -36.588 -19.667 1.00 65.70 ? 38 GLU A CG 1 ATOM 7 C CD . GLU A 1 7 ? -22.240 -36.869 -18.823 1.00 67.81 ? 38 GLU A CD 1 ATOM 8 O OE1 . GLU A 1 7 ? -21.146 -36.946 -19.424 1.00 66.92 ? 38 GLU A OE1 1 ATOM 9 O OE2 . GLU A 1 7 ? -22.324 -36.998 -17.575 1.00 70.45 ? 38 GLU A OE2 1 ATOM 10 N N . GLU A 1 8 ? -24.736 -34.355 -17.067 1.00 63.03 ? 39 GLU A N 1 ATOM 11 C CA . GLU A 1 8 ? -24.587 -33.511 -15.871 1.00 63.36 ? 39 GLU A CA 1 ATOM 12 C C . GLU A 1 8 ? -24.312 -32.047 -16.232 1.00 60.56 ? 39 GLU A C 1 ATOM 13 O O . GLU A 1 8 ? -24.919 -31.147 -15.664 1.00 61.21 ? 39 GLU A O 1 ATOM 14 C CB . GLU A 1 8 ? -23.451 -34.035 -14.980 1.00 63.49 ? 39 GLU A CB 1 ATOM 15 C CG . GLU A 1 8 ? -23.781 -35.282 -14.155 1.00 69.69 ? 39 GLU A CG 1 ATOM 16 C CD . GLU A 1 8 ? -22.544 -36.154 -13.881 1.00 73.52 ? 39 GLU A CD 1 ATOM 17 O OE1 . GLU A 1 8 ? -22.043 -36.141 -12.726 1.00 75.35 ? 39 GLU A OE1 1 ATOM 18 O OE2 . GLU A 1 8 ? -22.067 -36.837 -14.831 1.00 73.72 ? 39 GLU A OE2 1 ATOM 19 N N . LYS A 1 9 ? -23.411 -31.823 -17.191 1.00 57.18 ? 40 LYS A N 1 ATOM 20 C CA . LYS A 1 9 ? -23.120 -30.485 -17.701 1.00 54.78 ? 40 LYS A CA 1 ATOM 21 C C . LYS A 1 9 ? -24.383 -29.659 -17.962 1.00 55.93 ? 40 LYS A C 1 ATOM 22 O O . LYS A 1 9 ? -24.393 -28.445 -17.745 1.00 55.40 ? 40 LYS A O 1 ATOM 23 C CB . LYS A 1 9 ? -22.275 -30.577 -18.969 1.00 53.45 ? 40 LYS A CB 1 ATOM 24 C CG . LYS A 1 9 ? -22.991 -31.220 -20.140 1.00 52.48 ? 40 LYS A CG 1 ATOM 25 C CD . LYS A 1 9 ? -22.147 -31.242 -21.385 1.00 50.97 ? 40 LYS A CD 1 ATOM 26 C CE . LYS A 1 9 ? -23.074 -31.248 -22.618 1.00 51.62 ? 40 LYS A CE 1 ATOM 27 N NZ . LYS A 1 9 ? -22.318 -31.422 -23.893 1.00 57.14 ? 40 LYS A NZ 1 ATOM 28 N N . ASN A 1 10 ? -25.456 -30.336 -18.376 1.00 56.84 ? 41 ASN A N 1 ATOM 29 C CA . ASN A 1 10 ? -26.674 -29.673 -18.790 1.00 57.69 ? 41 ASN A CA 1 ATOM 30 C C . ASN A 1 10 ? -27.516 -29.169 -17.629 1.00 60.01 ? 41 ASN A C 1 ATOM 31 O O . ASN A 1 10 ? -28.289 -28.213 -17.768 1.00 60.32 ? 41 ASN A O 1 ATOM 32 C CB . ASN A 1 10 ? -27.469 -30.599 -19.704 1.00 58.69 ? 41 ASN A CB 1 ATOM 33 C CG . ASN A 1 10 ? -26.787 -30.804 -21.042 1.00 57.39 ? 41 ASN A CG 1 ATOM 34 O OD1 . ASN A 1 10 ? -26.079 -31.784 -21.241 1.00 57.58 ? 41 ASN A OD1 1 ATOM 35 N ND2 . ASN A 1 10 ? -26.966 -29.856 -21.956 1.00 57.73 ? 41 ASN A ND2 1 ATOM 36 N N . TYR A 1 11 ? -27.330 -29.807 -16.475 1.00 61.44 ? 42 TYR A N 1 ATOM 37 C CA . TYR A 1 11 ? -28.078 -29.519 -15.261 1.00 63.60 ? 42 TYR A CA 1 ATOM 38 C C . TYR A 1 11 ? -27.217 -28.873 -14.188 1.00 62.50 ? 42 TYR A C 1 ATOM 39 O O . TYR A 1 11 ? -27.724 -28.475 -13.134 1.00 63.97 ? 42 TYR A O 1 ATOM 40 C CB . TYR A 1 11 ? -28.658 -30.826 -14.711 1.00 66.86 ? 42 TYR A CB 1 ATOM 41 C CG . TYR A 1 11 ? -29.820 -31.369 -15.514 1.00 70.99 ? 42 TYR A CG 1 ATOM 42 C CD1 . TYR A 1 11 ? -31.086 -31.481 -14.935 1.00 76.36 ? 42 TYR A CD1 1 ATOM 43 C CD2 . TYR A 1 11 ? -29.654 -31.764 -16.859 1.00 71.20 ? 42 TYR A CD2 1 ATOM 44 C CE1 . TYR A 1 11 ? -32.163 -31.983 -15.657 1.00 81.13 ? 42 TYR A CE1 1 ATOM 45 C CE2 . TYR A 1 11 ? -30.722 -32.254 -17.600 1.00 74.98 ? 42 TYR A CE2 1 ATOM 46 C CZ . TYR A 1 11 ? -31.979 -32.364 -16.995 1.00 80.21 ? 42 TYR A CZ 1 ATOM 47 O OH . TYR A 1 11 ? -33.063 -32.859 -17.710 1.00 83.89 ? 42 TYR A OH 1 ATOM 48 N N . HIS A 1 12 ? -25.910 -28.818 -14.433 1.00 59.78 ? 43 HIS A N 1 ATOM 49 C CA . HIS A 1 12 ? -24.971 -28.163 -13.512 1.00 58.73 ? 43 HIS A CA 1 ATOM 50 C C . HIS A 1 12 ? -25.323 -26.700 -13.333 1.00 58.95 ? 43 HIS A C 1 ATOM 51 O O . HIS A 1 12 ? -25.543 -25.971 -14.338 1.00 57.45 ? 43 HIS A O 1 ATOM 52 C CB . HIS A 1 12 ? -23.495 -28.271 -13.953 1.00 55.81 ? 43 HIS A CB 1 ATOM 53 C CG . HIS A 1 12 ? -22.529 -27.744 -12.925 1.00 54.87 ? 43 HIS A CG 1 ATOM 54 N ND1 . HIS A 1 12 ? -21.971 -26.485 -13.000 1.00 53.33 ? 43 HIS A ND1 1 ATOM 55 C CD2 . HIS A 1 12 ? -22.075 -28.285 -11.767 1.00 53.73 ? 43 HIS A CD2 1 ATOM 56 C CE1 . HIS A 1 12 ? -21.187 -26.289 -11.953 1.00 52.84 ? 43 HIS A CE1 1 ATOM 57 N NE2 . HIS A 1 12 ? -21.228 -27.370 -11.195 1.00 54.13 ? 43 HIS A NE2 1 ATOM 58 N N . GLN A 1 13 ? -25.314 -26.320 -12.048 1.00 59.32 ? 44 GLN A N 1 ATOM 59 C CA . GLN A 1 13 ? -25.680 -25.021 -11.491 1.00 60.78 ? 44 GLN A CA 1 ATOM 60 C C . GLN A 1 13 ? -24.480 -24.386 -10.743 1.00 59.74 ? 44 GLN A C 1 ATOM 61 O O . GLN A 1 13 ? -23.733 -25.105 -10.057 1.00 59.61 ? 44 GLN A O 1 ATOM 62 C CB . GLN A 1 13 ? -26.805 -25.230 -10.454 1.00 63.88 ? 44 GLN A CB 1 ATOM 63 C CG . GLN A 1 13 ? -28.141 -25.759 -11.010 1.00 66.52 ? 44 GLN A CG 1 ATOM 64 C CD . GLN A 1 13 ? -28.764 -24.785 -11.992 1.00 68.74 ? 44 GLN A CD 1 ATOM 65 O OE1 . GLN A 1 13 ? -29.201 -25.166 -13.081 1.00 69.11 ? 44 GLN A OE1 1 ATOM 66 N NE2 . GLN A 1 13 ? -28.767 -23.509 -11.628 1.00 69.09 ? 44 GLN A NE2 1 ATOM 67 N N . PRO A 1 14 ? -24.324 -23.036 -10.807 1.00 59.08 ? 45 PRO A N 1 ATOM 68 C CA . PRO A 1 14 ? -23.224 -22.421 -10.061 1.00 58.21 ? 45 PRO A CA 1 ATOM 69 C C . PRO A 1 14 ? -23.583 -22.360 -8.572 1.00 60.60 ? 45 PRO A C 1 ATOM 70 O O . PRO A 1 14 ? -24.755 -22.371 -8.251 1.00 62.46 ? 45 PRO A O 1 ATOM 71 C CB . PRO A 1 14 ? -23.199 -21.001 -10.630 1.00 57.19 ? 45 PRO A CB 1 ATOM 72 C CG . PRO A 1 14 ? -24.649 -20.696 -10.870 1.00 58.14 ? 45 PRO A CG 1 ATOM 73 C CD . PRO A 1 14 ? -25.274 -22.009 -11.295 1.00 59.64 ? 45 PRO A CD 1 ATOM 74 N N . ALA A 1 15 ? -22.598 -22.319 -7.677 1.00 61.03 ? 46 ALA A N 1 ATOM 75 C CA . ALA A 1 15 ? -22.881 -21.932 -6.285 1.00 64.29 ? 46 ALA A CA 1 ATOM 76 C C . ALA A 1 15 ? -22.564 -20.452 -6.208 1.00 64.27 ? 46 ALA A C 1 ATOM 77 O O . ALA A 1 15 ? -21.390 -20.053 -6.288 1.00 62.93 ? 46 ALA A O 1 ATOM 78 C CB . ALA A 1 15 ? -22.060 -22.726 -5.280 1.00 64.85 ? 46 ALA A CB 1 ATOM 79 N N . ILE A 1 16 ? -23.620 -19.648 -6.104 1.00 66.17 ? 47 ILE A N 1 ATOM 80 C CA . ILE A 1 16 ? -23.522 -18.184 -6.158 1.00 66.53 ? 47 ILE A CA 1 ATOM 81 C C . ILE A 1 16 ? -22.966 -17.609 -4.844 1.00 67.53 ? 47 ILE A C 1 ATOM 82 O O . ILE A 1 16 ? -23.448 -17.930 -3.766 1.00 69.61 ? 47 ILE A O 1 ATOM 83 C CB . ILE A 1 16 ? -24.878 -17.526 -6.590 1.00 68.62 ? 47 ILE A CB 1 ATOM 84 C CG1 . ILE A 1 16 ? -25.371 -18.146 -7.916 1.00 67.61 ? 47 ILE A CG1 1 ATOM 85 C CG2 . ILE A 1 16 ? -24.716 -16.007 -6.785 1.00 68.95 ? 47 ILE A CG2 1 ATOM 86 C CD1 . ILE A 1 16 ? -26.895 -18.178 -8.045 1.00 72.30 ? 47 ILE A CD1 1 ATOM 87 N N . LEU A 1 17 ? -21.929 -16.782 -4.965 1.00 65.67 ? 48 LEU A N 1 ATOM 88 C CA . LEU A 1 17 ? -21.184 -16.262 -3.820 1.00 66.85 ? 48 LEU A CA 1 ATOM 89 C C . LEU A 1 17 ? -21.794 -14.987 -3.326 1.00 68.92 ? 48 LEU A C 1 ATOM 90 O O . LEU A 1 17 ? -22.243 -14.167 -4.142 1.00 67.71 ? 48 LEU A O 1 ATOM 91 C CB . LEU A 1 17 ? -19.757 -15.926 -4.215 1.00 64.57 ? 48 LEU A CB 1 ATOM 92 C CG . LEU A 1 17 ? -18.856 -17.030 -4.757 1.00 64.01 ? 48 LEU A CG 1 ATOM 93 C CD1 . LEU A 1 17 ? -17.740 -16.426 -5.566 1.00 61.69 ? 48 LEU A CD1 1 ATOM 94 C CD2 . LEU A 1 17 ? -18.316 -17.845 -3.581 1.00 68.95 ? 48 LEU A CD2 1 ATOM 95 N N . ASN A 1 18 ? -21.735 -14.786 -2.007 1.00 70.66 ? 49 ASN A N 1 ATOM 96 C CA . ASN A 1 18 ? -22.267 -13.570 -1.411 1.00 74.11 ? 49 ASN A CA 1 ATOM 97 C C . ASN A 1 18 ? -21.355 -12.332 -1.526 1.00 72.48 ? 49 ASN A C 1 ATOM 98 O O . ASN A 1 18 ? -20.188 -12.450 -1.873 1.00 69.33 ? 49 ASN A O 1 ATOM 99 C CB . ASN A 1 18 ? -22.733 -13.822 0.047 1.00 78.33 ? 49 ASN A CB 1 ATOM 100 C CG . ASN A 1 18 ? -21.590 -14.204 1.009 1.00 82.89 ? 49 ASN A CG 1 ATOM 101 O OD1 . ASN A 1 18 ? -20.467 -13.688 0.935 1.00 76.35 ? 49 ASN A OD1 1 ATOM 102 N ND2 . ASN A 1 18 ? -21.901 -15.095 1.941 1.00 95.57 ? 49 ASN A ND2 1 ATOM 103 N N . SER A 1 19 ? -21.898 -11.156 -1.190 1.00 74.55 ? 50 SER A N 1 ATOM 104 C CA . SER A 1 19 ? -21.170 -9.857 -1.244 1.00 73.92 ? 50 SER A CA 1 ATOM 105 C C . SER A 1 19 ? -19.755 -9.827 -0.655 1.00 72.53 ? 50 SER A C 1 ATOM 106 O O . SER A 1 19 ? -18.830 -9.292 -1.264 1.00 70.37 ? 50 SER A O 1 ATOM 107 C CB . SER A 1 19 ? -21.999 -8.751 -0.588 1.00 76.91 ? 50 SER A CB 1 ATOM 108 O OG . SER A 1 19 ? -22.990 -8.285 -1.480 1.00 77.79 ? 50 SER A OG 1 ATOM 109 N N . SER A 1 20 ? -19.621 -10.387 0.538 1.00 73.65 ? 51 SER A N 1 ATOM 110 C CA . SER A 1 20 ? -18.360 -10.530 1.236 1.00 73.22 ? 51 SER A CA 1 ATOM 111 C C . SER A 1 20 ? -17.370 -11.293 0.348 1.00 69.42 ? 51 SER A C 1 ATOM 112 O O . SER A 1 20 ? -16.220 -10.881 0.113 1.00 68.34 ? 51 SER A O 1 ATOM 113 C CB . SER A 1 20 ? -18.652 -11.339 2.489 1.00 76.23 ? 51 SER A CB 1 ATOM 114 O OG . SER A 1 20 ? -17.826 -10.966 3.552 1.00 79.03 ? 51 SER A OG 1 ATOM 115 N N . ALA A 1 21 ? -17.842 -12.410 -0.175 1.00 66.99 ? 52 ALA A N 1 ATOM 116 C CA . ALA A 1 21 ? -17.022 -13.267 -0.973 1.00 63.04 ? 52 ALA A CA 1 ATOM 117 C C . ALA A 1 21 ? -16.695 -12.596 -2.341 1.00 60.27 ? 52 ALA A C 1 ATOM 118 O O . ALA A 1 21 ? -15.638 -12.835 -2.929 1.00 57.46 ? 52 ALA A O 1 ATOM 119 C CB . ALA A 1 21 ? -17.717 -14.620 -1.127 1.00 62.49 ? 52 ALA A CB 1 ATOM 120 N N . LEU A 1 22 ? -17.583 -11.725 -2.821 1.00 60.22 ? 53 LEU A N 1 ATOM 121 C CA . LEU A 1 22 ? -17.307 -10.959 -4.033 1.00 57.83 ? 53 LEU A CA 1 ATOM 122 C C . LEU A 1 22 ? -16.138 -9.989 -3.802 1.00 57.29 ? 53 LEU A C 1 ATOM 123 O O . LEU A 1 22 ? -15.157 -9.992 -4.560 1.00 53.92 ? 53 LEU A O 1 ATOM 124 C CB . LEU A 1 22 ? -18.588 -10.281 -4.583 1.00 58.41 ? 53 LEU A CB 1 ATOM 125 C CG . LEU A 1 22 ? -19.655 -11.270 -5.141 1.00 57.11 ? 53 LEU A CG 1 ATOM 126 C CD1 . LEU A 1 22 ? -21.010 -10.676 -5.525 1.00 57.85 ? 53 LEU A CD1 1 ATOM 127 C CD2 . LEU A 1 22 ? -19.133 -12.038 -6.284 1.00 47.85 ? 53 LEU A CD2 1 ATOM 128 N N . ARG A 1 23 ? -16.214 -9.218 -2.720 1.00 59.63 ? 54 ARG A N 1 ATOM 129 C CA . ARG A 1 23 ? -15.154 -8.258 -2.393 1.00 60.38 ? 54 ARG A CA 1 ATOM 130 C C . ARG A 1 23 ? -13.789 -8.962 -2.300 1.00 58.64 ? 54 ARG A C 1 ATOM 131 O O . ARG A 1 23 ? -12.760 -8.410 -2.713 1.00 57.18 ? 54 ARG A O 1 ATOM 132 C CB . ARG A 1 23 ? -15.488 -7.459 -1.111 1.00 64.31 ? 54 ARG A CB 1 ATOM 133 C CG . ARG A 1 23 ? -14.789 -6.087 -1.008 1.00 67.07 ? 54 ARG A CG 1 ATOM 134 C CD . ARG A 1 23 ? -15.578 -5.044 -0.164 1.00 75.94 ? 54 ARG A CD 1 ATOM 135 N NE . ARG A 1 23 ? -16.639 -4.377 -0.940 1.00 78.79 ? 54 ARG A NE 1 ATOM 136 C CZ . ARG A 1 23 ? -17.940 -4.363 -0.625 1.00 81.56 ? 54 ARG A CZ 1 ATOM 137 N NH1 . ARG A 1 23 ? -18.384 -4.967 0.475 1.00 81.87 ? 54 ARG A NH1 1 ATOM 138 N NH2 . ARG A 1 23 ? -18.806 -3.737 -1.421 1.00 81.30 ? 54 ARG A NH2 1 ATOM 139 N N . GLN A 1 24 ? -13.801 -10.199 -1.803 1.00 59.25 ? 55 GLN A N 1 ATOM 140 C CA . GLN A 1 24 ? -12.589 -10.995 -1.605 1.00 58.76 ? 55 GLN A CA 1 ATOM 141 C C . GLN A 1 24 ? -11.933 -11.278 -2.945 1.00 55.63 ? 55 GLN A C 1 ATOM 142 O O . GLN A 1 24 ? -10.714 -11.188 -3.081 1.00 55.21 ? 55 GLN A O 1 ATOM 143 C CB . GLN A 1 24 ? -12.949 -12.298 -0.885 1.00 60.59 ? 55 GLN A CB 1 ATOM 144 C CG . GLN A 1 24 ? -11.814 -13.090 -0.236 1.00 62.11 ? 55 GLN A CG 1 ATOM 145 C CD . GLN A 1 24 ? -12.295 -13.844 1.038 1.00 68.25 ? 55 GLN A CD 1 ATOM 146 O OE1 . GLN A 1 24 ? -12.901 -13.253 1.932 1.00 68.89 ? 55 GLN A OE1 1 ATOM 147 N NE2 . GLN A 1 24 ? -12.018 -15.152 1.104 1.00 68.74 ? 55 GLN A NE2 1 ATOM 148 N N . ILE A 1 25 ? -12.757 -11.608 -3.936 1.00 53.40 ? 56 ILE A N 1 ATOM 149 C CA . ILE A 1 25 ? -12.263 -11.943 -5.242 1.00 50.55 ? 56 ILE A CA 1 ATOM 150 C C . ILE A 1 25 ? -11.806 -10.685 -5.936 1.00 49.47 ? 56 ILE A C 1 ATOM 151 O O . ILE A 1 25 ? -10.765 -10.689 -6.604 1.00 48.57 ? 56 ILE A O 1 ATOM 152 C CB . ILE A 1 25 ? -13.315 -12.700 -6.102 1.00 49.36 ? 56 ILE A CB 1 ATOM 153 C CG1 . ILE A 1 25 ? -13.774 -13.994 -5.384 1.00 51.26 ? 56 ILE A CG1 1 ATOM 154 C CG2 . ILE A 1 25 ? -12.764 -12.994 -7.496 1.00 43.91 ? 56 ILE A CG2 1 ATOM 155 C CD1 . ILE A 1 25 ? -12.829 -14.552 -4.310 1.00 50.38 ? 56 ILE A CD1 1 ATOM 156 N N . ALA A 1 26 ? -12.585 -9.620 -5.795 1.00 49.89 ? 57 ALA A N 1 ATOM 157 C CA . ALA A 1 26 ? -12.193 -8.361 -6.384 1.00 49.00 ? 57 ALA A CA 1 ATOM 158 C C . ALA A 1 26 ? -10.846 -7.901 -5.830 1.00 49.38 ? 57 ALA A C 1 ATOM 159 O O . ALA A 1 26 ? -9.974 -7.461 -6.584 1.00 48.38 ? 57 ALA A O 1 ATOM 160 C CB . ALA A 1 26 ? -13.250 -7.325 -6.177 1.00 50.09 ? 57 ALA A CB 1 ATOM 161 N N . GLU A 1 27 ? -10.653 -8.063 -4.525 1.00 50.94 ? 58 GLU A N 1 ATOM 162 C CA . GLU A 1 27 ? -9.405 -7.648 -3.893 1.00 51.73 ? 58 GLU A CA 1 ATOM 163 C C . GLU A 1 27 ? -8.220 -8.570 -4.108 1.00 49.78 ? 58 GLU A C 1 ATOM 164 O O . GLU A 1 27 ? -7.094 -8.099 -4.037 1.00 50.99 ? 58 GLU A O 1 ATOM 165 C CB . GLU A 1 27 ? -9.537 -7.542 -2.386 1.00 54.42 ? 58 GLU A CB 1 ATOM 166 C CG . GLU A 1 27 ? -10.617 -6.685 -1.859 1.00 59.59 ? 58 GLU A CG 1 ATOM 167 C CD . GLU A 1 27 ? -10.819 -6.962 -0.356 1.00 65.99 ? 58 GLU A CD 1 ATOM 168 O OE1 . GLU A 1 27 ? -10.079 -6.367 0.464 1.00 70.41 ? 58 GLU A OE1 1 ATOM 169 O OE2 . GLU A 1 27 ? -11.696 -7.796 0.002 1.00 66.64 ? 58 GLU A OE2 1 ATOM 170 N N . GLY A 1 28 ? -8.443 -9.871 -4.278 1.00 47.13 ? 59 GLY A N 1 ATOM 171 C CA . GLY A 1 28 ? -7.333 -10.811 -4.284 1.00 46.41 ? 59 GLY A CA 1 ATOM 172 C C . GLY A 1 28 ? -6.679 -10.969 -5.663 1.00 44.34 ? 59 GLY A C 1 ATOM 173 O O . GLY A 1 28 ? -5.748 -11.770 -5.828 1.00 43.26 ? 59 GLY A O 1 ATOM 174 N N . THR A 1 29 ? -7.168 -10.226 -6.650 1.00 43.56 ? 60 THR A N 1 ATOM 175 C CA . THR A 1 29 ? -6.514 -10.189 -7.993 1.00 41.86 ? 60 THR A CA 1 ATOM 176 C C . THR A 1 29 ? -5.777 -8.850 -8.194 1.00 42.98 ? 60 THR A C 1 ATOM 177 O O . THR A 1 29 ? -6.237 -7.813 -7.727 1.00 46.52 ? 60 THR A O 1 ATOM 178 C CB . THR A 1 29 ? -7.511 -10.405 -9.127 1.00 39.73 ? 60 THR A CB 1 ATOM 179 O OG1 . THR A 1 29 ? -6.840 -10.327 -10.412 1.00 41.06 ? 60 THR A OG1 1 ATOM 180 C CG2 . THR A 1 29 ? -8.614 -9.376 -9.087 1.00 41.78 ? 60 THR A CG2 1 ATOM 181 N N . SER A 1 30 ? -4.623 -8.882 -8.860 1.00 42.33 ? 61 SER A N 1 ATOM 182 C CA . SER A 1 30 ? -3.781 -7.700 -9.049 1.00 41.61 ? 61 SER A CA 1 ATOM 183 C C . SER A 1 30 ? -3.604 -7.452 -10.543 1.00 39.58 ? 61 SER A C 1 ATOM 184 O O . SER A 1 30 ? -3.002 -8.243 -11.215 1.00 38.31 ? 61 SER A O 1 ATOM 185 C CB . SER A 1 30 ? -2.406 -7.954 -8.470 1.00 41.63 ? 61 SER A CB 1 ATOM 186 O OG . SER A 1 30 ? -1.508 -6.896 -8.788 1.00 41.36 ? 61 SER A OG 1 ATOM 187 N N . ILE A 1 31 ? -4.083 -6.341 -11.055 1.00 39.58 ? 62 ILE A N 1 ATOM 188 C CA . ILE A 1 31 ? -3.919 -6.121 -12.481 1.00 38.48 ? 62 ILE A CA 1 ATOM 189 C C . ILE A 1 31 ? -2.430 -5.830 -12.781 1.00 38.57 ? 62 ILE A C 1 ATOM 190 O O . ILE A 1 31 ? -1.929 -6.233 -13.825 1.00 35.55 ? 62 ILE A O 1 ATOM 191 C CB . ILE A 1 31 ? -4.868 -5.014 -12.965 1.00 38.62 ? 62 ILE A CB 1 ATOM 192 C CG1 . ILE A 1 31 ? -4.864 -4.896 -14.492 1.00 36.20 ? 62 ILE A CG1 1 ATOM 193 C CG2 . ILE A 1 31 ? -4.557 -3.688 -12.195 1.00 40.37 ? 62 ILE A CG2 1 ATOM 194 C CD1 . ILE A 1 31 ? -5.189 -6.183 -15.258 1.00 29.98 ? 62 ILE A CD1 1 ATOM 195 N N . SER A 1 32 ? -1.718 -5.199 -11.831 1.00 40.60 ? 63 SER A N 1 ATOM 196 C CA . SER A 1 32 ? -0.312 -4.804 -12.051 1.00 41.65 ? 63 SER A CA 1 ATOM 197 C C . SER A 1 32 ? 0.622 -6.016 -12.057 1.00 41.61 ? 63 SER A C 1 ATOM 198 O O . SER A 1 32 ? 1.583 -6.088 -12.841 1.00 41.82 ? 63 SER A O 1 ATOM 199 C CB . SER A 1 32 ? 0.146 -3.804 -10.989 1.00 43.77 ? 63 SER A CB 1 ATOM 200 O OG . SER A 1 32 ? 0.092 -4.428 -9.717 1.00 46.77 ? 63 SER A OG 1 ATOM 201 N N . GLU A 1 33 ? 0.319 -6.991 -11.210 1.00 42.77 ? 64 GLU A N 1 ATOM 202 C CA . GLU A 1 33 ? 1.075 -8.237 -11.166 1.00 42.60 ? 64 GLU A CA 1 ATOM 203 C C . GLU A 1 33 ? 0.925 -8.989 -12.500 1.00 40.37 ? 64 GLU A C 1 ATOM 204 O O . GLU A 1 33 ? 1.895 -9.565 -13.008 1.00 38.84 ? 64 GLU A O 1 ATOM 205 C CB . GLU A 1 33 ? 0.561 -9.123 -10.045 1.00 43.97 ? 64 GLU A CB 1 ATOM 206 C CG . GLU A 1 33 ? 1.631 -9.842 -9.291 1.00 46.90 ? 64 GLU A CG 1 ATOM 207 C CD . GLU A 1 33 ? 2.153 -9.039 -8.139 1.00 52.30 ? 64 GLU A CD 1 ATOM 208 O OE1 . GLU A 1 33 ? 2.838 -8.010 -8.387 1.00 54.08 ? 64 GLU A OE1 1 ATOM 209 O OE2 . GLU A 1 33 ? 1.893 -9.446 -6.979 1.00 56.60 ? 64 GLU A OE2 1 ATOM 210 N N . MET A 1 34 ? -0.291 -8.965 -13.053 1.00 38.90 ? 65 MET A N 1 ATOM 211 C CA . MET A 1 34 ? -0.594 -9.656 -14.247 1.00 37.35 ? 65 MET A CA 1 ATOM 212 C C . MET A 1 34 ? 0.173 -8.999 -15.392 1.00 36.81 ? 65 MET A C 1 ATOM 213 O O . MET A 1 34 ? 0.687 -9.667 -16.313 1.00 36.05 ? 65 MET A O 1 ATOM 214 C CB . MET A 1 34 ? -2.122 -9.627 -14.538 1.00 36.49 ? 65 MET A CB 1 ATOM 215 C CG . MET A 1 34 ? -2.457 -10.400 -15.821 1.00 36.37 ? 65 MET A CG 1 ATOM 216 S SD . MET A 1 34 ? -3.931 -9.954 -16.818 1.00 33.93 ? 65 MET A SD 1 ATOM 217 C CE . MET A 1 34 ? -3.317 -8.428 -17.562 1.00 36.26 ? 65 MET A CE 1 ATOM 218 N N . TRP A 1 35 ? 0.208 -7.679 -15.347 1.00 38.34 ? 66 TRP A N 1 ATOM 219 C CA . TRP A 1 35 ? 0.827 -6.878 -16.396 1.00 37.73 ? 66 TRP A CA 1 ATOM 220 C C . TRP A 1 35 ? 2.333 -7.168 -16.502 1.00 37.32 ? 66 TRP A C 1 ATOM 221 O O . TRP A 1 35 ? 2.866 -7.449 -17.587 1.00 36.01 ? 66 TRP A O 1 ATOM 222 C CB . TRP A 1 35 ? 0.600 -5.394 -16.103 1.00 39.04 ? 66 TRP A CB 1 ATOM 223 C CG . TRP A 1 35 ? 0.456 -4.616 -17.343 1.00 40.17 ? 66 TRP A CG 1 ATOM 224 C CD1 . TRP A 1 35 ? 1.456 -4.089 -18.096 1.00 39.39 ? 66 TRP A CD1 1 ATOM 225 C CD2 . TRP A 1 35 ? -0.763 -4.299 -18.011 1.00 38.88 ? 66 TRP A CD2 1 ATOM 226 N NE1 . TRP A 1 35 ? 0.940 -3.471 -19.200 1.00 38.20 ? 66 TRP A NE1 1 ATOM 227 C CE2 . TRP A 1 35 ? -0.424 -3.566 -19.167 1.00 38.43 ? 66 TRP A CE2 1 ATOM 228 C CE3 . TRP A 1 35 ? -2.108 -4.552 -17.736 1.00 39.69 ? 66 TRP A CE3 1 ATOM 229 C CZ2 . TRP A 1 35 ? -1.381 -3.072 -20.055 1.00 38.49 ? 66 TRP A CZ2 1 ATOM 230 C CZ3 . TRP A 1 35 ? -3.059 -4.085 -18.618 1.00 40.10 ? 66 TRP A CZ3 1 ATOM 231 C CH2 . TRP A 1 35 ? -2.691 -3.353 -19.774 1.00 41.94 ? 66 TRP A CH2 1 ATOM 232 N N . GLN A 1 36 ? 3.007 -7.115 -15.355 1.00 39.02 ? 67 GLN A N 1 ATOM 233 C CA . GLN A 1 36 ? 4.454 -7.214 -15.322 1.00 39.67 ? 67 GLN A CA 1 ATOM 234 C C . GLN A 1 36 ? 4.925 -8.679 -15.394 1.00 38.31 ? 67 GLN A C 1 ATOM 235 O O . GLN A 1 36 ? 5.963 -8.985 -15.989 1.00 38.94 ? 67 GLN A O 1 ATOM 236 C CB . GLN A 1 36 ? 5.010 -6.511 -14.088 1.00 42.87 ? 67 GLN A CB 1 ATOM 237 C CG . GLN A 1 36 ? 6.514 -6.666 -13.922 1.00 46.82 ? 67 GLN A CG 1 ATOM 238 C CD . GLN A 1 36 ? 6.991 -6.252 -12.544 1.00 53.02 ? 67 GLN A CD 1 ATOM 239 O OE1 . GLN A 1 36 ? 6.515 -5.266 -11.978 1.00 57.18 ? 67 GLN A OE1 1 ATOM 240 N NE2 . GLN A 1 36 ? 7.928 -7.015 -11.991 1.00 53.01 ? 67 GLN A NE2 1 ATOM 241 N N . ASN A 1 37 ? 4.165 -9.589 -14.812 1.00 36.31 ? 68 ASN A N 1 ATOM 242 C CA . ASN A 1 37 ? 4.671 -10.940 -14.646 1.00 35.34 ? 68 ASN A CA 1 ATOM 243 C C . ASN A 1 37 ? 4.060 -11.932 -15.557 1.00 32.51 ? 68 ASN A C 1 ATOM 244 O O . ASN A 1 37 ? 4.696 -12.918 -15.894 1.00 32.88 ? 68 ASN A O 1 ATOM 245 C CB . ASN A 1 37 ? 4.551 -11.398 -13.181 1.00 36.71 ? 68 ASN A CB 1 ATOM 246 C CG . ASN A 1 37 ? 5.385 -10.559 -12.293 1.00 38.70 ? 68 ASN A CG 1 ATOM 247 O OD1 . ASN A 1 37 ? 6.358 -10.000 -12.762 1.00 38.01 ? 68 ASN A OD1 1 ATOM 248 N ND2 . ASN A 1 37 ? 5.012 -10.428 -11.015 1.00 42.79 ? 68 ASN A ND2 1 ATOM 249 N N . ASP A 1 38 ? 2.825 -11.675 -15.975 1.00 31.95 ? 69 ASP A N 1 ATOM 250 C CA . ASP A 1 38 ? 2.116 -12.616 -16.800 1.00 30.06 ? 69 ASP A CA 1 ATOM 251 C C . ASP A 1 38 ? 2.068 -12.098 -18.218 1.00 29.20 ? 69 ASP A C 1 ATOM 252 O O . ASP A 1 38 ? 2.223 -12.852 -19.119 1.00 28.39 ? 69 ASP A O 1 ATOM 253 C CB . ASP A 1 38 ? 0.697 -12.872 -16.278 1.00 30.66 ? 69 ASP A CB 1 ATOM 254 C CG . ASP A 1 38 ? 0.663 -13.810 -15.088 1.00 34.76 ? 69 ASP A CG 1 ATOM 255 O OD1 . ASP A 1 38 ? 0.040 -13.460 -14.049 1.00 43.93 ? 69 ASP A OD1 1 ATOM 256 O OD2 . ASP A 1 38 ? 1.286 -14.885 -15.157 1.00 36.87 ? 69 ASP A OD2 1 ATOM 257 N N . LEU A 1 39 ? 1.843 -10.803 -18.392 1.00 29.42 ? 70 LEU A N 1 ATOM 258 C CA . LEU A 1 39 ? 1.496 -10.237 -19.709 1.00 28.80 ? 70 LEU A CA 1 ATOM 259 C C . LEU A 1 39 ? 2.719 -9.740 -20.478 1.00 28.57 ? 70 LEU A C 1 ATOM 260 O O . LEU A 1 39 ? 2.897 -10.086 -21.657 1.00 26.68 ? 70 LEU A O 1 ATOM 261 C CB . LEU A 1 39 ? 0.444 -9.112 -19.557 1.00 29.08 ? 70 LEU A CB 1 ATOM 262 C CG . LEU A 1 39 ? 0.143 -8.216 -20.751 1.00 30.54 ? 70 LEU A CG 1 ATOM 263 C CD1 . LEU A 1 39 ? -0.345 -9.018 -21.993 1.00 26.90 ? 70 LEU A CD1 1 ATOM 264 C CD2 . LEU A 1 39 ? -0.888 -7.191 -20.244 1.00 27.96 ? 70 LEU A CD2 1 ATOM 265 N N . GLN A 1 40 ? 3.572 -8.955 -19.817 1.00 29.47 ? 71 GLN A N 1 ATOM 266 C CA . GLN A 1 40 ? 4.712 -8.376 -20.532 1.00 31.00 ? 71 GLN A CA 1 ATOM 267 C C . GLN A 1 40 ? 5.614 -9.455 -21.133 1.00 31.03 ? 71 GLN A C 1 ATOM 268 O O . GLN A 1 40 ? 5.903 -9.389 -22.364 1.00 30.56 ? 71 GLN A O 1 ATOM 269 C CB . GLN A 1 40 ? 5.461 -7.284 -19.744 1.00 32.42 ? 71 GLN A CB 1 ATOM 270 C CG . GLN A 1 40 ? 4.770 -5.973 -19.897 1.00 35.25 ? 71 GLN A CG 1 ATOM 271 C CD . GLN A 1 40 ? 5.129 -4.969 -18.849 1.00 42.81 ? 71 GLN A CD 1 ATOM 272 O OE1 . GLN A 1 40 ? 4.918 -3.772 -19.064 1.00 47.07 ? 71 GLN A OE1 1 ATOM 273 N NE2 . GLN A 1 40 ? 5.655 -5.423 -17.699 1.00 41.69 ? 71 GLN A NE2 1 ATOM 274 N N . PRO A 1 41 ? 5.947 -10.511 -20.347 1.00 30.23 ? 72 PRO A N 1 ATOM 275 C CA . PRO A 1 41 ? 6.804 -11.422 -21.101 1.00 29.84 ? 72 PRO A CA 1 ATOM 276 C C . PRO A 1 41 ? 6.196 -12.027 -22.370 1.00 28.43 ? 72 PRO A C 1 ATOM 277 O O . PRO A 1 41 ? 6.958 -12.535 -23.185 1.00 29.62 ? 72 PRO A O 1 ATOM 278 C CB . PRO A 1 41 ? 7.165 -12.479 -20.088 1.00 29.91 ? 72 PRO A CB 1 ATOM 279 C CG . PRO A 1 41 ? 7.099 -11.723 -18.744 1.00 31.45 ? 72 PRO A CG 1 ATOM 280 C CD . PRO A 1 41 ? 5.909 -10.844 -18.907 1.00 31.74 ? 72 PRO A CD 1 ATOM 281 N N . LEU A 1 42 ? 4.870 -11.949 -22.583 1.00 27.56 ? 73 LEU A N 1 ATOM 282 C CA . LEU A 1 42 ? 4.261 -12.575 -23.805 1.00 26.07 ? 73 LEU A CA 1 ATOM 283 C C . LEU A 1 42 ? 4.207 -11.706 -25.008 1.00 26.53 ? 73 LEU A C 1 ATOM 284 O O . LEU A 1 42 ? 3.802 -12.180 -26.095 1.00 25.27 ? 73 LEU A O 1 ATOM 285 C CB . LEU A 1 42 ? 2.817 -12.973 -23.615 1.00 24.67 ? 73 LEU A CB 1 ATOM 286 C CG . LEU A 1 42 ? 2.501 -14.213 -22.810 1.00 29.70 ? 73 LEU A CG 1 ATOM 287 C CD1 . LEU A 1 42 ? 0.973 -14.407 -22.632 1.00 34.35 ? 73 LEU A CD1 1 ATOM 288 C CD2 . LEU A 1 42 ? 3.149 -15.418 -23.413 1.00 25.41 ? 73 LEU A CD2 1 ATOM 289 N N . LEU A 1 43 ? 4.460 -10.411 -24.815 1.00 28.32 ? 74 LEU A N 1 ATOM 290 C CA . LEU A 1 43 ? 4.288 -9.433 -25.891 1.00 28.77 ? 74 LEU A CA 1 ATOM 291 C C . LEU A 1 43 ? 5.532 -9.464 -26.794 1.00 28.31 ? 74 LEU A C 1 ATOM 292 O O . LEU A 1 43 ? 6.372 -8.557 -26.788 1.00 29.20 ? 74 LEU A O 1 ATOM 293 C CB . LEU A 1 43 ? 3.988 -8.050 -25.291 1.00 30.02 ? 74 LEU A CB 1 ATOM 294 C CG . LEU A 1 43 ? 2.563 -7.953 -24.733 1.00 31.72 ? 74 LEU A CG 1 ATOM 295 C CD1 . LEU A 1 43 ? 2.353 -6.647 -23.979 1.00 33.44 ? 74 LEU A CD1 1 ATOM 296 C CD2 . LEU A 1 43 ? 1.555 -8.107 -25.879 1.00 30.34 ? 74 LEU A CD2 1 ATOM 297 N N . ILE A 1 44 ? 5.681 -10.579 -27.495 1.00 26.87 ? 75 ILE A N 1 ATOM 298 C CA . ILE A 1 44 ? 6.853 -10.847 -28.297 1.00 25.68 ? 75 ILE A CA 1 ATOM 299 C C . ILE A 1 44 ? 6.284 -11.498 -29.558 1.00 24.35 ? 75 ILE A C 1 ATOM 300 O O . ILE A 1 44 ? 5.142 -12.016 -29.535 1.00 23.18 ? 75 ILE A O 1 ATOM 301 C CB . ILE A 1 44 ? 7.844 -11.798 -27.602 1.00 25.45 ? 75 ILE A CB 1 ATOM 302 C CG1 . ILE A 1 44 ? 7.197 -13.116 -27.251 1.00 23.85 ? 75 ILE A CG1 1 ATOM 303 C CG2 . ILE A 1 44 ? 8.477 -11.185 -26.253 1.00 30.24 ? 75 ILE A CG2 1 ATOM 304 C CD1 . ILE A 1 44 ? 8.171 -14.104 -26.569 1.00 21.32 ? 75 ILE A CD1 1 ATOM 305 N N . GLU A 1 45 ? 7.053 -11.473 -30.631 1.00 23.09 ? 76 GLU A N 1 ATOM 306 C CA . GLU A 1 45 ? 6.645 -12.173 -31.814 1.00 23.56 ? 76 GLU A CA 1 ATOM 307 C C . GLU A 1 45 ? 6.685 -13.659 -31.426 1.00 24.37 ? 76 GLU A C 1 ATOM 308 O O . GLU A 1 45 ? 7.716 -14.193 -30.975 1.00 25.48 ? 76 GLU A O 1 ATOM 309 C CB . GLU A 1 45 ? 7.583 -11.885 -32.985 1.00 22.95 ? 76 GLU A CB 1 ATOM 310 C CG . GLU A 1 45 ? 6.987 -12.341 -34.345 1.00 25.32 ? 76 GLU A CG 1 ATOM 311 C CD . GLU A 1 45 ? 7.857 -11.959 -35.544 1.00 31.31 ? 76 GLU A CD 1 ATOM 312 O OE1 . GLU A 1 45 ? 9.061 -11.790 -35.284 1.00 35.96 ? 76 GLU A OE1 1 ATOM 313 O OE2 . GLU A 1 45 ? 7.381 -11.837 -36.744 1.00 32.60 ? 76 GLU A OE2 1 ATOM 314 N N . ARG A 1 46 ? 5.576 -14.364 -31.606 1.00 23.63 ? 77 ARG A N 1 ATOM 315 C CA . ARG A 1 46 ? 5.568 -15.752 -31.178 1.00 21.38 ? 77 ARG A CA 1 ATOM 316 C C . ARG A 1 46 ? 4.714 -16.516 -32.132 1.00 20.99 ? 77 ARG A C 1 ATOM 317 O O . ARG A 1 46 ? 3.883 -17.253 -31.716 1.00 21.11 ? 77 ARG A O 1 ATOM 318 C CB . ARG A 1 46 ? 5.024 -15.873 -29.726 1.00 20.24 ? 77 ARG A CB 1 ATOM 319 C CG . ARG A 1 46 ? 3.767 -15.052 -29.489 1.00 20.53 ? 77 ARG A CG 1 ATOM 320 C CD . ARG A 1 46 ? 3.327 -14.923 -27.961 1.00 17.35 ? 77 ARG A CD 1 ATOM 321 N NE . ARG A 1 46 ? 1.973 -14.422 -27.980 1.00 17.12 ? 77 ARG A NE 1 ATOM 322 C CZ . ARG A 1 46 ? 1.597 -13.176 -28.302 1.00 21.37 ? 77 ARG A CZ 1 ATOM 323 N NH1 . ARG A 1 46 ? 2.479 -12.186 -28.598 1.00 20.87 ? 77 ARG A NH1 1 ATOM 324 N NH2 . ARG A 1 46 ? 0.295 -12.912 -28.344 1.00 20.27 ? 77 ARG A NH2 1 ATOM 325 N N . TYR A 1 47 ? 4.910 -16.374 -33.447 1.00 22.06 ? 78 TYR A N 1 ATOM 326 C CA . TYR A 1 47 ? 4.156 -17.201 -34.302 1.00 21.87 ? 78 TYR A CA 1 ATOM 327 C C . TYR A 1 47 ? 4.640 -18.676 -34.223 1.00 22.68 ? 78 TYR A C 1 ATOM 328 O O . TYR A 1 47 ? 5.769 -18.939 -33.774 1.00 25.51 ? 78 TYR A O 1 ATOM 329 C CB . TYR A 1 47 ? 4.180 -16.605 -35.719 1.00 22.18 ? 78 TYR A CB 1 ATOM 330 C CG . TYR A 1 47 ? 5.513 -16.627 -36.357 1.00 24.20 ? 78 TYR A CG 1 ATOM 331 C CD1 . TYR A 1 47 ? 6.328 -15.487 -36.384 1.00 24.15 ? 78 TYR A CD1 1 ATOM 332 C CD2 . TYR A 1 47 ? 5.982 -17.802 -36.975 1.00 27.63 ? 78 TYR A CD2 1 ATOM 333 C CE1 . TYR A 1 47 ? 7.585 -15.518 -37.035 1.00 26.77 ? 78 TYR A CE1 1 ATOM 334 C CE2 . TYR A 1 47 ? 7.239 -17.848 -37.623 1.00 27.56 ? 78 TYR A CE2 1 ATOM 335 C CZ . TYR A 1 47 ? 8.028 -16.710 -37.633 1.00 26.82 ? 78 TYR A CZ 1 ATOM 336 O OH . TYR A 1 47 ? 9.240 -16.783 -38.221 1.00 26.91 ? 78 TYR A OH 1 ATOM 337 N N . PRO A 1 48 ? 3.819 -19.648 -34.669 1.00 23.17 ? 79 PRO A N 1 ATOM 338 C CA . PRO A 1 48 ? 4.172 -21.060 -34.513 1.00 23.26 ? 79 PRO A CA 1 ATOM 339 C C . PRO A 1 48 ? 5.490 -21.574 -35.114 1.00 23.94 ? 79 PRO A C 1 ATOM 340 O O . PRO A 1 48 ? 5.812 -21.349 -36.282 1.00 26.74 ? 79 PRO A O 1 ATOM 341 C CB . PRO A 1 48 ? 2.947 -21.803 -35.100 1.00 22.78 ? 79 PRO A CB 1 ATOM 342 C CG . PRO A 1 48 ? 1.874 -20.877 -34.991 1.00 20.94 ? 79 PRO A CG 1 ATOM 343 C CD . PRO A 1 48 ? 2.527 -19.539 -35.367 1.00 22.79 ? 79 PRO A CD 1 ATOM 344 N N . GLY A 1 49 ? 6.229 -22.291 -34.282 1.00 23.88 ? 80 GLY A N 1 ATOM 345 C CA . GLY A 1 49 ? 7.571 -22.753 -34.599 1.00 25.09 ? 80 GLY A CA 1 ATOM 346 C C . GLY A 1 49 ? 8.768 -21.809 -34.417 1.00 24.82 ? 80 GLY A C 1 ATOM 347 O O . GLY A 1 49 ? 9.907 -22.269 -34.451 1.00 25.77 ? 80 GLY A O 1 ATOM 348 N N . SER A 1 50 ? 8.517 -20.505 -34.222 1.00 25.05 ? 81 SER A N 1 ATOM 349 C CA . SER A 1 50 ? 9.551 -19.444 -34.000 1.00 22.55 ? 81 SER A CA 1 ATOM 350 C C . SER A 1 50 ? 10.194 -19.603 -32.586 1.00 22.80 ? 81 SER A C 1 ATOM 351 O O . SER A 1 50 ? 9.597 -20.202 -31.717 1.00 20.46 ? 81 SER A O 1 ATOM 352 C CB . SER A 1 50 ? 8.838 -18.056 -34.020 1.00 22.87 ? 81 SER A CB 1 ATOM 353 O OG . SER A 1 50 ? 8.194 -17.803 -32.749 1.00 21.22 ? 81 SER A OG 1 ATOM 354 N N . PRO A 1 51 ? 11.389 -19.000 -32.365 1.00 21.73 ? 82 PRO A N 1 ATOM 355 C CA . PRO A 1 51 ? 12.013 -18.948 -31.058 1.00 22.01 ? 82 PRO A CA 1 ATOM 356 C C . PRO A 1 51 ? 11.155 -18.177 -30.090 1.00 21.86 ? 82 PRO A C 1 ATOM 357 O O . PRO A 1 51 ? 11.064 -18.530 -28.872 1.00 24.57 ? 82 PRO A O 1 ATOM 358 C CB . PRO A 1 51 ? 13.393 -18.314 -31.357 1.00 23.20 ? 82 PRO A CB 1 ATOM 359 C CG . PRO A 1 51 ? 13.591 -18.658 -33.052 1.00 23.45 ? 82 PRO A CG 1 ATOM 360 C CD . PRO A 1 51 ? 12.190 -18.313 -33.398 1.00 22.48 ? 82 PRO A CD 1 ATOM 361 N N . GLY A 1 52 ? 10.477 -17.141 -30.570 1.00 22.77 ? 83 GLY A N 1 ATOM 362 C CA . GLY A 1 52 ? 9.448 -16.463 -29.740 1.00 21.87 ? 83 GLY A CA 1 ATOM 363 C C . GLY A 1 52 ? 8.310 -17.385 -29.273 1.00 21.00 ? 83 GLY A C 1 ATOM 364 O O . GLY A 1 52 ? 7.869 -17.395 -28.051 1.00 20.59 ? 83 GLY A O 1 ATOM 365 N N . SER A 1 53 ? 7.844 -18.217 -30.175 1.00 18.77 ? 84 SER A N 1 ATOM 366 C CA . SER A 1 53 ? 6.922 -19.273 -29.648 1.00 20.50 ? 84 SER A CA 1 ATOM 367 C C . SER A 1 53 ? 7.423 -20.062 -28.401 1.00 23.61 ? 84 SER A C 1 ATOM 368 O O . SER A 1 53 ? 6.620 -20.333 -27.472 1.00 20.76 ? 84 SER A O 1 ATOM 369 C CB . SER A 1 53 ? 6.570 -20.305 -30.674 1.00 21.02 ? 84 SER A CB 1 ATOM 370 O OG . SER A 1 53 ? 5.582 -21.172 -30.116 1.00 23.78 ? 84 SER A OG 1 ATOM 371 N N . TYR A 1 54 ? 8.732 -20.454 -28.441 1.00 23.91 ? 85 TYR A N 1 ATOM 372 C CA . TYR A 1 54 ? 9.320 -21.292 -27.458 1.00 23.25 ? 85 TYR A CA 1 ATOM 373 C C . TYR A 1 54 ? 9.446 -20.566 -26.141 1.00 24.95 ? 85 TYR A C 1 ATOM 374 O O . TYR A 1 54 ? 9.145 -21.125 -25.094 1.00 23.24 ? 85 TYR A O 1 ATOM 375 C CB . TYR A 1 54 ? 10.693 -21.683 -27.986 1.00 26.82 ? 85 TYR A CB 1 ATOM 376 C CG . TYR A 1 54 ? 11.590 -22.428 -27.055 1.00 26.80 ? 85 TYR A CG 1 ATOM 377 C CD1 . TYR A 1 54 ? 11.714 -23.813 -27.172 1.00 32.54 ? 85 TYR A CD1 1 ATOM 378 C CD2 . TYR A 1 54 ? 12.345 -21.771 -26.090 1.00 32.02 ? 85 TYR A CD2 1 ATOM 379 C CE1 . TYR A 1 54 ? 12.568 -24.532 -26.332 1.00 31.87 ? 85 TYR A CE1 1 ATOM 380 C CE2 . TYR A 1 54 ? 13.216 -22.489 -25.226 1.00 31.48 ? 85 TYR A CE2 1 ATOM 381 C CZ . TYR A 1 54 ? 13.288 -23.861 -25.374 1.00 31.74 ? 85 TYR A CZ 1 ATOM 382 O OH . TYR A 1 54 ? 14.081 -24.602 -24.584 1.00 37.82 ? 85 TYR A OH 1 ATOM 383 N N . ALA A 1 55 ? 9.957 -19.324 -26.196 1.00 25.77 ? 86 ALA A N 1 ATOM 384 C CA . ALA A 1 55 ? 10.055 -18.458 -25.033 1.00 25.14 ? 86 ALA A CA 1 ATOM 385 C C . ALA A 1 55 ? 8.652 -18.214 -24.449 1.00 25.13 ? 86 ALA A C 1 ATOM 386 O O . ALA A 1 55 ? 8.480 -18.278 -23.202 1.00 24.85 ? 86 ALA A O 1 ATOM 387 C CB . ALA A 1 55 ? 10.782 -17.138 -25.366 1.00 23.31 ? 86 ALA A CB 1 ATOM 388 N N . ALA A 1 56 ? 7.663 -17.915 -25.290 1.00 22.25 ? 87 ALA A N 1 ATOM 389 C CA . ALA A 1 56 ? 6.289 -17.795 -24.737 1.00 24.30 ? 87 ALA A CA 1 ATOM 390 C C . ALA A 1 56 ? 5.831 -19.089 -24.026 1.00 25.87 ? 87 ALA A C 1 ATOM 391 O O . ALA A 1 56 ? 5.340 -19.033 -22.842 1.00 24.98 ? 87 ALA A O 1 ATOM 392 C CB . ALA A 1 56 ? 5.229 -17.383 -25.743 1.00 24.25 ? 87 ALA A CB 1 ATOM 393 N N . ARG A 1 57 ? 5.998 -20.221 -24.729 1.00 24.71 ? 88 ARG A N 1 ATOM 394 C CA . ARG A 1 57 ? 5.664 -21.530 -24.112 1.00 25.75 ? 88 ARG A CA 1 ATOM 395 C C . ARG A 1 57 ? 6.347 -21.704 -22.789 1.00 26.72 ? 88 ARG A C 1 ATOM 396 O O . ARG A 1 57 ? 5.733 -22.136 -21.805 1.00 26.36 ? 88 ARG A O 1 ATOM 397 C CB . ARG A 1 57 ? 5.994 -22.685 -25.081 1.00 25.93 ? 88 ARG A CB 1 ATOM 398 C CG . ARG A 1 57 ? 5.781 -24.168 -24.581 1.00 27.94 ? 88 ARG A CG 1 ATOM 399 C CD . ARG A 1 57 ? 6.338 -25.146 -25.651 1.00 29.94 ? 88 ARG A CD 1 ATOM 400 N NE . ARG A 1 57 ? 6.026 -24.464 -26.876 1.00 30.67 ? 88 ARG A NE 1 ATOM 401 C CZ . ARG A 1 57 ? 6.784 -24.338 -27.943 1.00 32.51 ? 88 ARG A CZ 1 ATOM 402 N NH1 . ARG A 1 57 ? 7.958 -24.947 -28.042 1.00 33.60 ? 88 ARG A NH1 1 ATOM 403 N NH2 . ARG A 1 57 ? 6.295 -23.616 -28.944 1.00 30.69 ? 88 ARG A NH2 1 ATOM 404 N N . GLN A 1 58 ? 7.648 -21.403 -22.748 1.00 28.75 ? 89 GLN A N 1 ATOM 405 C CA . GLN A 1 58 ? 8.423 -21.558 -21.512 1.00 28.92 ? 89 GLN A CA 1 ATOM 406 C C . GLN A 1 58 ? 7.903 -20.667 -20.405 1.00 29.59 ? 89 GLN A C 1 ATOM 407 O O . GLN A 1 58 ? 7.836 -21.067 -19.201 1.00 30.45 ? 89 GLN A O 1 ATOM 408 C CB . GLN A 1 58 ? 9.888 -21.237 -21.814 1.00 31.30 ? 89 GLN A CB 1 ATOM 409 C CG . GLN A 1 58 ? 10.891 -21.509 -20.614 1.00 37.45 ? 89 GLN A CG 1 ATOM 410 C CD . GLN A 1 58 ? 12.380 -21.286 -20.989 1.00 44.17 ? 89 GLN A CD 1 ATOM 411 O OE1 . GLN A 1 58 ? 12.729 -21.109 -22.162 1.00 47.90 ? 89 GLN A OE1 1 ATOM 412 N NE2 . GLN A 1 58 ? 13.247 -21.286 -19.985 1.00 46.13 ? 89 GLN A NE2 1 ATOM 413 N N . HIS A 1 59 ? 7.605 -19.417 -20.758 1.00 29.02 ? 90 HIS A N 1 ATOM 414 C CA . HIS A 1 59 ? 6.968 -18.463 -19.808 1.00 30.01 ? 90 HIS A CA 1 ATOM 415 C C . HIS A 1 59 ? 5.655 -19.032 -19.234 1.00 28.90 ? 90 HIS A C 1 ATOM 416 O O . HIS A 1 59 ? 5.451 -19.126 -17.997 1.00 30.18 ? 90 HIS A O 1 ATOM 417 C CB . HIS A 1 59 ? 6.687 -17.137 -20.550 1.00 30.36 ? 90 HIS A CB 1 ATOM 418 C CG . HIS A 1 59 ? 5.791 -16.189 -19.814 1.00 28.45 ? 90 HIS A CG 1 ATOM 419 N ND1 . HIS A 1 59 ? 6.106 -15.704 -18.567 1.00 26.15 ? 90 HIS A ND1 1 ATOM 420 C CD2 . HIS A 1 59 ? 4.626 -15.588 -20.169 1.00 25.78 ? 90 HIS A CD2 1 ATOM 421 C CE1 . HIS A 1 59 ? 5.165 -14.872 -18.158 1.00 26.64 ? 90 HIS A CE1 1 ATOM 422 N NE2 . HIS A 1 59 ? 4.241 -14.802 -19.097 1.00 26.38 ? 90 HIS A NE2 1 ATOM 423 N N . ILE A 1 60 ? 4.748 -19.397 -20.122 1.00 26.50 ? 91 ILE A N 1 ATOM 424 C CA . ILE A 1 60 ? 3.445 -19.973 -19.688 1.00 26.21 ? 91 ILE A CA 1 ATOM 425 C C . ILE A 1 60 ? 3.699 -21.085 -18.645 1.00 28.58 ? 91 ILE A C 1 ATOM 426 O O . ILE A 1 60 ? 3.182 -21.023 -17.500 1.00 28.11 ? 91 ILE A O 1 ATOM 427 C CB . ILE A 1 60 ? 2.530 -20.409 -20.922 1.00 24.78 ? 91 ILE A CB 1 ATOM 428 C CG1 . ILE A 1 60 ? 1.982 -19.216 -21.685 1.00 22.84 ? 91 ILE A CG1 1 ATOM 429 C CG2 . ILE A 1 60 ? 1.337 -21.285 -20.489 1.00 25.69 ? 91 ILE A CG2 1 ATOM 430 C CD1 . ILE A 1 60 ? 1.780 -19.471 -23.306 1.00 18.08 ? 91 ILE A CD1 1 ATOM 431 N N . MET A 1 61 ? 4.555 -22.060 -18.982 1.00 28.81 ? 92 MET A N 1 ATOM 432 C CA . MET A 1 61 ? 4.777 -23.236 -18.102 1.00 29.09 ? 92 MET A CA 1 ATOM 433 C C . MET A 1 61 ? 5.393 -22.917 -16.758 1.00 31.26 ? 92 MET A C 1 ATOM 434 O O . MET A 1 61 ? 4.972 -23.453 -15.690 1.00 32.01 ? 92 MET A O 1 ATOM 435 C CB . MET A 1 61 ? 5.604 -24.288 -18.841 1.00 29.31 ? 92 MET A CB 1 ATOM 436 C CG . MET A 1 61 ? 4.758 -24.955 -19.969 1.00 30.47 ? 92 MET A CG 1 ATOM 437 S SD . MET A 1 61 ? 5.794 -25.900 -21.086 1.00 39.92 ? 92 MET A SD 1 ATOM 438 C CE . MET A 1 61 ? 6.343 -27.270 -20.100 1.00 41.46 ? 92 MET A CE 1 ATOM 439 N N . GLN A 1 62 ? 6.394 -22.045 -16.829 1.00 31.13 ? 93 GLN A N 1 ATOM 440 C CA . GLN A 1 62 ? 7.029 -21.491 -15.702 1.00 34.29 ? 93 GLN A CA 1 ATOM 441 C C . GLN A 1 62 ? 6.075 -20.819 -14.729 1.00 34.28 ? 93 GLN A C 1 ATOM 442 O O . GLN A 1 62 ? 6.183 -21.034 -13.522 1.00 36.28 ? 93 GLN A O 1 ATOM 443 C CB . GLN A 1 62 ? 8.104 -20.543 -16.188 1.00 34.39 ? 93 GLN A CB 1 ATOM 444 C CG . GLN A 1 62 ? 9.419 -21.265 -16.173 1.00 40.75 ? 93 GLN A CG 1 ATOM 445 C CD . GLN A 1 62 ? 10.466 -20.646 -17.056 1.00 45.21 ? 93 GLN A CD 1 ATOM 446 O OE1 . GLN A 1 62 ? 10.492 -19.425 -17.281 1.00 44.31 ? 93 GLN A OE1 1 ATOM 447 N NE2 . GLN A 1 62 ? 11.375 -21.486 -17.536 1.00 45.44 ? 93 GLN A NE2 1 ATOM 448 N N . ARG A 1 63 ? 5.157 -19.999 -15.249 1.00 32.11 ? 94 ARG A N 1 ATOM 449 C CA . ARG A 1 63 ? 4.256 -19.239 -14.388 1.00 32.43 ? 94 ARG A CA 1 ATOM 450 C C . ARG A 1 63 ? 3.249 -20.212 -13.814 1.00 32.95 ? 94 ARG A C 1 ATOM 451 O O . ARG A 1 63 ? 2.872 -20.129 -12.599 1.00 31.94 ? 94 ARG A O 1 ATOM 452 C CB . ARG A 1 63 ? 3.540 -18.084 -15.108 1.00 32.41 ? 94 ARG A CB 1 ATOM 453 C CG . ARG A 1 63 ? 4.455 -16.956 -15.649 1.00 32.94 ? 94 ARG A CG 1 ATOM 454 C CD . ARG A 1 63 ? 4.997 -16.025 -14.585 1.00 31.88 ? 94 ARG A CD 1 ATOM 455 N NE . ARG A 1 63 ? 3.923 -15.336 -13.875 1.00 32.81 ? 94 ARG A NE 1 ATOM 456 C CZ . ARG A 1 63 ? 4.023 -14.922 -12.609 1.00 32.07 ? 94 ARG A CZ 1 ATOM 457 N NH1 . ARG A 1 63 ? 5.130 -15.149 -11.944 1.00 31.41 ? 94 ARG A NH1 1 ATOM 458 N NH2 . ARG A 1 63 ? 3.012 -14.322 -12.014 1.00 32.27 ? 94 ARG A NH2 1 ATOM 459 N N . ILE A 1 64 ? 2.836 -21.166 -14.646 1.00 30.09 ? 95 ILE A N 1 ATOM 460 C CA . ILE A 1 64 ? 2.095 -22.280 -14.068 1.00 32.10 ? 95 ILE A CA 1 ATOM 461 C C . ILE A 1 64 ? 2.786 -23.151 -13.003 1.00 33.41 ? 95 ILE A C 1 ATOM 462 O O . ILE A 1 64 ? 2.158 -23.429 -11.975 1.00 37.09 ? 95 ILE A O 1 ATOM 463 C CB . ILE A 1 64 ? 1.420 -23.046 -15.098 1.00 30.58 ? 95 ILE A CB 1 ATOM 464 C CG1 . ILE A 1 64 ? 0.252 -22.196 -15.584 1.00 30.44 ? 95 ILE A CG1 1 ATOM 465 C CG2 . ILE A 1 64 ? 0.948 -24.457 -14.642 1.00 28.72 ? 95 ILE A CG2 1 ATOM 466 C CD1 . ILE A 1 64 ? 0.054 -22.454 -17.051 1.00 28.73 ? 95 ILE A CD1 1 ATOM 467 N N . GLN A 1 65 ? 4.041 -23.556 -13.216 1.00 33.42 ? 96 GLN A N 1 ATOM 468 C CA . GLN A 1 65 ? 4.731 -24.458 -12.268 1.00 36.67 ? 96 GLN A CA 1 ATOM 469 C C . GLN A 1 65 ? 4.901 -23.816 -10.926 1.00 37.37 ? 96 GLN A C 1 ATOM 470 O O . GLN A 1 65 ? 5.289 -24.497 -9.954 1.00 40.23 ? 96 GLN A O 1 ATOM 471 C CB . GLN A 1 65 ? 6.162 -24.762 -12.690 1.00 37.47 ? 96 GLN A CB 1 ATOM 472 C CG . GLN A 1 65 ? 6.391 -26.101 -13.329 1.00 42.20 ? 96 GLN A CG 1 ATOM 473 C CD . GLN A 1 65 ? 6.976 -25.940 -14.747 1.00 47.24 ? 96 GLN A CD 1 ATOM 474 O OE1 . GLN A 1 65 ? 7.860 -25.101 -14.994 1.00 50.81 ? 96 GLN A OE1 1 ATOM 475 N NE2 . GLN A 1 65 ? 6.474 -26.727 -15.669 1.00 43.25 ? 96 GLN A NE2 1 ATOM 476 N N . ARG A 1 66 ? 4.722 -22.498 -10.848 1.00 36.25 ? 97 ARG A N 1 ATOM 477 C CA . ARG A 1 66 ? 5.287 -21.821 -9.673 1.00 39.87 ? 97 ARG A CA 1 ATOM 478 C C . ARG A 1 66 ? 4.254 -21.773 -8.577 1.00 38.46 ? 97 ARG A C 1 ATOM 479 O O . ARG A 1 66 ? 4.448 -21.143 -7.642 1.00 41.55 ? 97 ARG A O 1 ATOM 480 C CB . ARG A 1 66 ? 5.814 -20.417 -10.046 1.00 40.30 ? 97 ARG A CB 1 ATOM 481 C CG . ARG A 1 66 ? 4.921 -19.200 -9.765 1.00 42.51 ? 97 ARG A CG 1 ATOM 482 C CD . ARG A 1 66 ? 5.794 -17.924 -9.698 1.00 50.57 ? 97 ARG A CD 1 ATOM 483 N NE . ARG A 1 66 ? 5.143 -16.630 -9.350 1.00 58.85 ? 97 ARG A NE 1 ATOM 484 C CZ . ARG A 1 66 ? 3.849 -16.391 -9.047 1.00 61.08 ? 97 ARG A CZ 1 ATOM 485 N NH1 . ARG A 1 66 ? 2.930 -17.358 -9.015 1.00 60.41 ? 97 ARG A NH1 1 ATOM 486 N NH2 . ARG A 1 66 ? 3.466 -15.141 -8.763 1.00 62.52 ? 97 ARG A NH2 1 ATOM 487 N N . LEU A 1 67 ? 3.114 -22.389 -8.812 1.00 37.67 ? 98 LEU A N 1 ATOM 488 C CA . LEU A 1 67 ? 1.894 -22.227 -8.068 1.00 36.57 ? 98 LEU A CA 1 ATOM 489 C C . LEU A 1 67 ? 1.721 -23.546 -7.396 1.00 37.77 ? 98 LEU A C 1 ATOM 490 O O . LEU A 1 67 ? 1.991 -24.597 -8.050 1.00 36.06 ? 98 LEU A O 1 ATOM 491 C CB . LEU A 1 67 ? 0.718 -22.105 -9.011 1.00 35.04 ? 98 LEU A CB 1 ATOM 492 C CG . LEU A 1 67 ? 0.612 -20.878 -9.885 1.00 34.09 ? 98 LEU A CG 1 ATOM 493 C CD1 . LEU A 1 67 ? -0.659 -21.041 -10.679 1.00 29.97 ? 98 LEU A CD1 1 ATOM 494 C CD2 . LEU A 1 67 ? 0.551 -19.609 -8.983 1.00 38.26 ? 98 LEU A CD2 1 ATOM 495 N N . GLN A 1 68 ? 1.216 -23.494 -6.149 1.00 38.21 ? 99 GLN A N 1 ATOM 496 C CA . GLN A 1 68 ? 0.934 -24.689 -5.371 1.00 39.87 ? 99 GLN A CA 1 ATOM 497 C C . GLN A 1 68 ? -0.201 -25.610 -5.863 1.00 38.94 ? 99 GLN A C 1 ATOM 498 O O . GLN A 1 68 ? -0.052 -26.831 -5.830 1.00 39.49 ? 99 GLN A O 1 ATOM 499 C CB . GLN A 1 68 ? 0.797 -24.372 -3.838 1.00 42.69 ? 99 GLN A CB 1 ATOM 500 C CG . GLN A 1 68 ? 0.802 -22.859 -3.453 1.00 43.10 ? 99 GLN A CG 1 ATOM 501 C CD . GLN A 1 68 ? 0.693 -22.638 -1.916 1.00 46.70 ? 99 GLN A CD 1 ATOM 502 O OE1 . GLN A 1 68 ? 1.681 -22.769 -1.204 1.00 50.34 ? 99 GLN A OE1 1 ATOM 503 N NE2 . GLN A 1 68 ? -0.493 -22.268 -1.428 1.00 46.86 ? 99 GLN A NE2 1 ATOM 504 N N . ALA A 1 69 ? -1.346 -25.084 -6.284 1.00 37.78 ? 100 ALA A N 1 ATOM 505 C CA . ALA A 1 69 ? -2.261 -25.979 -7.014 1.00 36.90 ? 100 ALA A CA 1 ATOM 506 C C . ALA A 1 69 ? -1.446 -26.934 -7.943 1.00 35.67 ? 100 ALA A C 1 ATOM 507 O O . ALA A 1 69 ? -0.363 -26.612 -8.442 1.00 34.75 ? 100 ALA A O 1 ATOM 508 C CB . ALA A 1 69 ? -3.290 -25.234 -7.821 1.00 36.72 ? 100 ALA A CB 1 ATOM 509 N N . ASP A 1 70 ? -1.969 -28.139 -8.057 1.00 36.92 ? 101 ASP A N 1 ATOM 510 C CA . ASP A 1 70 ? -1.237 -29.240 -8.558 1.00 38.06 ? 101 ASP A CA 1 ATOM 511 C C . ASP A 1 70 ? -1.584 -29.346 -10.011 1.00 35.89 ? 101 ASP A C 1 ATOM 512 O O . ASP A 1 70 ? -2.208 -30.326 -10.431 1.00 37.64 ? 101 ASP A O 1 ATOM 513 C CB . ASP A 1 70 ? -1.705 -30.491 -7.866 1.00 40.31 ? 101 ASP A CB 1 ATOM 514 C CG . ASP A 1 70 ? -0.798 -31.651 -8.129 1.00 43.15 ? 101 ASP A CG 1 ATOM 515 O OD1 . ASP A 1 70 ? 0.305 -31.430 -8.688 1.00 45.48 ? 101 ASP A OD1 1 ATOM 516 O OD2 . ASP A 1 70 ? -1.199 -32.784 -7.772 1.00 48.35 ? 101 ASP A OD2 1 ATOM 517 N N . TRP A 1 71 ? -1.260 -28.307 -10.754 1.00 33.09 ? 102 TRP A N 1 ATOM 518 C CA . TRP A 1 71 ? -1.458 -28.356 -12.217 1.00 30.38 ? 102 TRP A CA 1 ATOM 519 C C . TRP A 1 71 ? -0.577 -29.377 -12.844 1.00 31.51 ? 102 TRP A C 1 ATOM 520 O O . TRP A 1 71 ? 0.625 -29.416 -12.546 1.00 30.22 ? 102 TRP A O 1 ATOM 521 C CB . TRP A 1 71 ? -1.094 -27.025 -12.832 1.00 28.18 ? 102 TRP A CB 1 ATOM 522 C CG . TRP A 1 71 ? -2.058 -25.940 -12.481 1.00 28.68 ? 102 TRP A CG 1 ATOM 523 C CD1 . TRP A 1 71 ? -1.942 -25.068 -11.430 1.00 31.29 ? 102 TRP A CD1 1 ATOM 524 C CD2 . TRP A 1 71 ? -3.341 -25.666 -13.087 1.00 29.55 ? 102 TRP A CD2 1 ATOM 525 N NE1 . TRP A 1 71 ? -3.016 -24.235 -11.397 1.00 30.42 ? 102 TRP A NE1 1 ATOM 526 C CE2 . TRP A 1 71 ? -3.890 -24.570 -12.404 1.00 30.44 ? 102 TRP A CE2 1 ATOM 527 C CE3 . TRP A 1 71 ? -4.068 -26.229 -14.158 1.00 33.18 ? 102 TRP A CE3 1 ATOM 528 C CZ2 . TRP A 1 71 ? -5.130 -23.998 -12.759 1.00 27.36 ? 102 TRP A CZ2 1 ATOM 529 C CZ3 . TRP A 1 71 ? -5.313 -25.665 -14.500 1.00 33.04 ? 102 TRP A CZ3 1 ATOM 530 C CH2 . TRP A 1 71 ? -5.836 -24.576 -13.754 1.00 27.32 ? 102 TRP A CH2 1 ATOM 531 N N . VAL A 1 72 ? -1.161 -30.111 -13.819 1.00 32.63 ? 103 VAL A N 1 ATOM 532 C CA . VAL A 1 72 ? -0.477 -31.152 -14.548 1.00 32.71 ? 103 VAL A CA 1 ATOM 533 C C . VAL A 1 72 ? -0.368 -30.637 -15.987 1.00 31.23 ? 103 VAL A C 1 ATOM 534 O O . VAL A 1 72 ? -1.391 -30.342 -16.697 1.00 29.39 ? 103 VAL A O 1 ATOM 535 C CB . VAL A 1 72 ? -1.155 -32.569 -14.344 1.00 34.08 ? 103 VAL A CB 1 ATOM 536 C CG1 . VAL A 1 72 ? -0.512 -33.646 -15.192 1.00 35.94 ? 103 VAL A CG1 1 ATOM 537 C CG2 . VAL A 1 72 ? -1.166 -33.029 -12.787 1.00 35.31 ? 103 VAL A CG2 1 ATOM 538 N N . LEU A 1 73 ? 0.880 -30.454 -16.396 1.00 31.33 ? 104 LEU A N 1 ATOM 539 C CA . LEU A 1 73 ? 1.143 -29.849 -17.722 1.00 30.26 ? 104 LEU A CA 1 ATOM 540 C C . LEU A 1 73 ? 1.451 -30.847 -18.731 1.00 30.44 ? 104 LEU A C 1 ATOM 541 O O . LEU A 1 73 ? 2.128 -31.794 -18.431 1.00 31.96 ? 104 LEU A O 1 ATOM 542 C CB . LEU A 1 73 ? 2.329 -28.900 -17.686 1.00 31.27 ? 104 LEU A CB 1 ATOM 543 C CG . LEU A 1 73 ? 2.065 -27.541 -17.021 1.00 32.41 ? 104 LEU A CG 1 ATOM 544 C CD1 . LEU A 1 73 ? 3.306 -26.954 -16.425 1.00 27.65 ? 104 LEU A CD1 1 ATOM 545 C CD2 . LEU A 1 73 ? 1.464 -26.642 -18.123 1.00 30.53 ? 104 LEU A CD2 1 ATOM 546 N N . GLU A 1 74 ? 1.037 -30.598 -19.975 1.00 30.08 ? 105 GLU A N 1 ATOM 547 C CA . GLU A 1 74 ? 1.236 -31.540 -21.009 1.00 30.48 ? 105 GLU A CA 1 ATOM 548 C C . GLU A 1 74 ? 1.306 -30.737 -22.301 1.00 30.41 ? 105 GLU A C 1 ATOM 549 O O . GLU A 1 74 ? 0.542 -29.772 -22.500 1.00 29.85 ? 105 GLU A O 1 ATOM 550 C CB . GLU A 1 74 ? 0.052 -32.545 -21.060 1.00 31.74 ? 105 GLU A CB 1 ATOM 551 C CG . GLU A 1 74 ? -0.331 -32.986 -22.596 1.00 35.61 ? 105 GLU A CG 1 ATOM 552 C CD . GLU A 1 74 ? -1.391 -34.129 -22.743 1.00 44.14 ? 105 GLU A CD 1 ATOM 553 O OE1 . GLU A 1 74 ? -1.985 -34.633 -21.743 1.00 51.50 ? 105 GLU A OE1 1 ATOM 554 O OE2 . GLU A 1 74 ? -1.617 -34.543 -23.885 1.00 46.55 ? 105 GLU A OE2 1 ATOM 555 N N . ILE A 1 75 ? 2.184 -31.157 -23.196 1.00 30.68 ? 106 ILE A N 1 ATOM 556 C CA . ILE A 1 75 ? 2.470 -30.396 -24.382 1.00 30.31 ? 106 ILE A CA 1 ATOM 557 C C . ILE A 1 75 ? 2.092 -31.241 -25.537 1.00 30.07 ? 106 ILE A C 1 ATOM 558 O O . ILE A 1 75 ? 2.618 -32.298 -25.740 1.00 32.69 ? 106 ILE A O 1 ATOM 559 C CB . ILE A 1 75 ? 3.986 -29.983 -24.434 1.00 30.46 ? 106 ILE A CB 1 ATOM 560 C CG1 . ILE A 1 75 ? 4.363 -29.238 -23.164 1.00 31.68 ? 106 ILE A CG1 1 ATOM 561 C CG2 . ILE A 1 75 ? 4.282 -29.113 -25.614 1.00 31.26 ? 106 ILE A CG2 1 ATOM 562 C CD1 . ILE A 1 75 ? 3.599 -27.972 -22.967 1.00 33.17 ? 106 ILE A CD1 1 ATOM 563 N N . ASP A 1 76 ? 1.163 -30.771 -26.331 1.00 29.51 ? 107 ASP A N 1 ATOM 564 C CA . ASP A 1 76 ? 0.718 -31.560 -27.405 1.00 28.32 ? 107 ASP A CA 1 ATOM 565 C C . ASP A 1 76 ? 1.490 -30.999 -28.601 1.00 27.58 ? 107 ASP A C 1 ATOM 566 O O . ASP A 1 76 ? 1.040 -30.016 -29.200 1.00 26.76 ? 107 ASP A O 1 ATOM 567 C CB . ASP A 1 76 ? -0.843 -31.493 -27.491 1.00 27.99 ? 107 ASP A CB 1 ATOM 568 C CG . ASP A 1 76 ? -1.431 -31.944 -28.866 1.00 30.56 ? 107 ASP A CG 1 ATOM 569 O OD1 . ASP A 1 76 ? -0.969 -32.939 -29.474 1.00 30.25 ? 107 ASP A OD1 1 ATOM 570 O OD2 . ASP A 1 76 ? -2.415 -31.298 -29.333 1.00 28.19 ? 107 ASP A OD2 1 ATOM 571 N N . THR A 1 77 ? 2.639 -31.612 -28.946 1.00 26.05 ? 108 THR A N 1 ATOM 572 C CA . THR A 1 77 ? 3.428 -31.098 -30.089 1.00 25.95 ? 108 THR A CA 1 ATOM 573 C C . THR A 1 77 ? 3.192 -31.869 -31.379 1.00 23.88 ? 108 THR A C 1 ATOM 574 O O . THR A 1 77 ? 2.955 -33.038 -31.321 1.00 26.20 ? 108 THR A O 1 ATOM 575 C CB . THR A 1 77 ? 4.926 -31.069 -29.734 1.00 27.06 ? 108 THR A CB 1 ATOM 576 O OG1 . THR A 1 77 ? 5.111 -30.226 -28.591 1.00 30.38 ? 108 THR A OG1 1 ATOM 577 C CG2 . THR A 1 77 ? 5.733 -30.490 -30.876 1.00 27.37 ? 108 THR A CG2 1 ATOM 578 N N . PHE A 1 78 ? 3.301 -31.283 -32.555 1.00 23.68 ? 109 PHE A N 1 ATOM 579 C CA . PHE A 1 78 ? 2.994 -32.049 -33.730 1.00 22.89 ? 109 PHE A CA 1 ATOM 580 C C . PHE A 1 78 ? 3.448 -31.284 -34.939 1.00 23.89 ? 109 PHE A C 1 ATOM 581 O O . PHE A 1 78 ? 3.718 -30.115 -34.828 1.00 25.75 ? 109 PHE A O 1 ATOM 582 C CB . PHE A 1 78 ? 1.463 -32.372 -33.807 1.00 23.10 ? 109 PHE A CB 1 ATOM 583 C CG . PHE A 1 78 ? 0.546 -31.119 -33.909 1.00 21.81 ? 109 PHE A CG 1 ATOM 584 C CD1 . PHE A 1 78 ? 0.087 -30.478 -32.749 1.00 18.77 ? 109 PHE A CD1 1 ATOM 585 C CD2 . PHE A 1 78 ? 0.130 -30.647 -35.181 1.00 17.72 ? 109 PHE A CD2 1 ATOM 586 C CE1 . PHE A 1 78 ? -0.745 -29.328 -32.837 1.00 18.43 ? 109 PHE A CE1 1 ATOM 587 C CE2 . PHE A 1 78 ? -0.691 -29.505 -35.326 1.00 17.11 ? 109 PHE A CE2 1 ATOM 588 C CZ . PHE A 1 78 ? -1.153 -28.851 -34.165 1.00 17.06 ? 109 PHE A CZ 1 ATOM 589 N N . LEU A 1 79 ? 3.567 -31.931 -36.073 1.00 23.24 ? 110 LEU A N 1 ATOM 590 C CA . LEU A 1 79 ? 3.907 -31.268 -37.324 1.00 25.20 ? 110 LEU A CA 1 ATOM 591 C C . LEU A 1 79 ? 2.677 -31.144 -38.115 1.00 25.45 ? 110 LEU A C 1 ATOM 592 O O . LEU A 1 79 ? 1.860 -32.088 -38.150 1.00 24.25 ? 110 LEU A O 1 ATOM 593 C CB . LEU A 1 79 ? 4.873 -32.106 -38.144 1.00 26.94 ? 110 LEU A CB 1 ATOM 594 C CG . LEU A 1 79 ? 6.284 -32.170 -37.539 1.00 30.72 ? 110 LEU A CG 1 ATOM 595 C CD1 . LEU A 1 79 ? 7.190 -33.193 -38.282 1.00 33.32 ? 110 LEU A CD1 1 ATOM 596 C CD2 . LEU A 1 79 ? 6.909 -30.743 -37.577 1.00 28.73 ? 110 LEU A CD2 1 ATOM 597 N N . SER A 1 80 ? 2.496 -29.986 -38.740 1.00 25.46 ? 111 SER A N 1 ATOM 598 C CA . SER A 1 80 ? 1.437 -29.935 -39.746 1.00 26.54 ? 111 SER A CA 1 ATOM 599 C C . SER A 1 80 ? 1.890 -29.276 -41.065 1.00 26.58 ? 111 SER A C 1 ATOM 600 O O . SER A 1 80 ? 2.716 -28.367 -41.050 1.00 26.58 ? 111 SER A O 1 ATOM 601 C CB . SER A 1 80 ? 0.205 -29.294 -39.125 1.00 25.54 ? 111 SER A CB 1 ATOM 602 O OG . SER A 1 80 ? -0.868 -29.342 -40.040 1.00 32.25 ? 111 SER A OG 1 ATOM 603 N N . GLN A 1 81 ? 1.355 -29.706 -42.196 1.00 27.93 ? 112 GLN A N 1 ATOM 604 C CA . GLN A 1 81 ? 1.645 -29.006 -43.476 1.00 29.56 ? 112 GLN A CA 1 ATOM 605 C C . GLN A 1 81 ? 1.141 -27.530 -43.379 1.00 30.89 ? 112 GLN A C 1 ATOM 606 O O . GLN A 1 81 ? 0.003 -27.278 -42.917 1.00 33.51 ? 112 GLN A O 1 ATOM 607 C CB . GLN A 1 81 ? 0.904 -29.727 -44.573 1.00 30.73 ? 112 GLN A CB 1 ATOM 608 C CG . GLN A 1 81 ? 0.987 -29.105 -45.941 1.00 34.53 ? 112 GLN A CG 1 ATOM 609 C CD . GLN A 1 81 ? 2.281 -29.350 -46.578 1.00 41.98 ? 112 GLN A CD 1 ATOM 610 O OE1 . GLN A 1 81 ? 2.358 -30.077 -47.570 1.00 49.34 ? 112 GLN A OE1 1 ATOM 611 N NE2 . GLN A 1 81 ? 3.331 -28.737 -46.053 1.00 40.37 ? 112 GLN A NE2 1 ATOM 612 N N . THR A 1 82 ? 1.968 -26.542 -43.737 1.00 29.32 ? 113 THR A N 1 ATOM 613 C CA . THR A 1 82 ? 1.499 -25.165 -43.809 1.00 25.60 ? 113 THR A CA 1 ATOM 614 C C . THR A 1 82 ? 1.847 -24.653 -45.203 1.00 27.43 ? 113 THR A C 1 ATOM 615 O O . THR A 1 82 ? 2.480 -25.387 -46.001 1.00 27.39 ? 113 THR A O 1 ATOM 616 C CB . THR A 1 82 ? 2.137 -24.275 -42.710 1.00 25.66 ? 113 THR A CB 1 ATOM 617 O OG1 . THR A 1 82 ? 3.494 -23.990 -43.066 1.00 23.74 ? 113 THR A OG1 1 ATOM 618 C CG2 . THR A 1 82 ? 2.070 -24.923 -41.330 1.00 21.18 ? 113 THR A CG2 1 ATOM 619 N N . PRO A 1 83 ? 1.398 -23.420 -45.532 1.00 27.09 ? 114 PRO A N 1 ATOM 620 C CA . PRO A 1 83 ? 1.762 -22.825 -46.810 1.00 27.58 ? 114 PRO A CA 1 ATOM 621 C C . PRO A 1 83 ? 3.309 -22.586 -46.890 1.00 28.33 ? 114 PRO A C 1 ATOM 622 O O . PRO A 1 83 ? 3.848 -22.486 -48.020 1.00 28.14 ? 114 PRO A O 1 ATOM 623 C CB . PRO A 1 83 ? 0.983 -21.507 -46.817 1.00 26.49 ? 114 PRO A CB 1 ATOM 624 C CG . PRO A 1 83 ? -0.142 -21.716 -45.907 1.00 24.29 ? 114 PRO A CG 1 ATOM 625 C CD . PRO A 1 83 ? 0.603 -22.461 -44.725 1.00 27.05 ? 114 PRO A CD 1 ATOM 626 N N . TYR A 1 84 ? 3.982 -22.653 -45.721 1.00 26.55 ? 115 TYR A N 1 ATOM 627 C CA . TYR A 1 84 ? 5.465 -22.606 -45.608 1.00 29.10 ? 115 TYR A CA 1 ATOM 628 C C . TYR A 1 84 ? 6.106 -23.952 -45.272 1.00 29.76 ? 115 TYR A C 1 ATOM 629 O O . TYR A 1 84 ? 7.170 -23.990 -44.619 1.00 29.86 ? 115 TYR A O 1 ATOM 630 C CB . TYR A 1 84 ? 5.892 -21.548 -44.550 1.00 29.58 ? 115 TYR A CB 1 ATOM 631 C CG . TYR A 1 84 ? 5.423 -20.183 -44.958 1.00 30.20 ? 115 TYR A CG 1 ATOM 632 C CD1 . TYR A 1 84 ? 5.762 -19.689 -46.214 1.00 35.68 ? 115 TYR A CD1 1 ATOM 633 C CD2 . TYR A 1 84 ? 4.571 -19.442 -44.153 1.00 27.59 ? 115 TYR A CD2 1 ATOM 634 C CE1 . TYR A 1 84 ? 5.316 -18.449 -46.666 1.00 38.34 ? 115 TYR A CE1 1 ATOM 635 C CE2 . TYR A 1 84 ? 4.095 -18.203 -44.579 1.00 30.39 ? 115 TYR A CE2 1 ATOM 636 C CZ . TYR A 1 84 ? 4.481 -17.712 -45.839 1.00 38.99 ? 115 TYR A CZ 1 ATOM 637 O OH . TYR A 1 84 ? 4.065 -16.489 -46.299 1.00 39.84 ? 115 TYR A OH 1 ATOM 638 N N . GLY A 1 85 ? 5.428 -25.052 -45.658 1.00 30.33 ? 116 GLY A N 1 ATOM 639 C CA . GLY A 1 85 ? 5.896 -26.435 -45.452 1.00 29.26 ? 116 GLY A CA 1 ATOM 640 C C . GLY A 1 85 ? 5.603 -26.875 -44.032 1.00 29.42 ? 116 GLY A C 1 ATOM 641 O O . GLY A 1 85 ? 4.959 -26.154 -43.216 1.00 26.82 ? 116 GLY A O 1 ATOM 642 N N . TYR A 1 86 ? 6.090 -28.066 -43.705 1.00 29.64 ? 117 TYR A N 1 ATOM 643 C CA . TYR A 1 86 ? 5.786 -28.634 -42.419 1.00 27.74 ? 117 TYR A CA 1 ATOM 644 C C . TYR A 1 86 ? 6.390 -27.770 -41.363 1.00 27.05 ? 117 TYR A C 1 ATOM 645 O O . TYR A 1 86 ? 7.467 -27.258 -41.582 1.00 28.71 ? 117 TYR A O 1 ATOM 646 C CB . TYR A 1 86 ? 6.351 -30.056 -42.340 1.00 28.46 ? 117 TYR A CB 1 ATOM 647 C CG . TYR A 1 86 ? 5.473 -31.005 -43.064 1.00 29.87 ? 117 TYR A CG 1 ATOM 648 C CD1 . TYR A 1 86 ? 5.653 -31.205 -44.470 1.00 30.37 ? 117 TYR A CD1 1 ATOM 649 C CD2 . TYR A 1 86 ? 4.411 -31.658 -42.402 1.00 25.13 ? 117 TYR A CD2 1 ATOM 650 C CE1 . TYR A 1 86 ? 4.842 -32.035 -45.137 1.00 32.56 ? 117 TYR A CE1 1 ATOM 651 C CE2 . TYR A 1 86 ? 3.557 -32.483 -43.091 1.00 30.56 ? 117 TYR A CE2 1 ATOM 652 C CZ . TYR A 1 86 ? 3.782 -32.664 -44.472 1.00 32.05 ? 117 TYR A CZ 1 ATOM 653 O OH . TYR A 1 86 ? 2.989 -33.479 -45.245 1.00 39.51 ? 117 TYR A OH 1 ATOM 654 N N . ARG A 1 87 ? 5.727 -27.623 -40.225 1.00 24.52 ? 118 ARG A N 1 ATOM 655 C CA . ARG A 1 87 ? 6.251 -26.801 -39.170 1.00 24.23 ? 118 ARG A CA 1 ATOM 656 C C . ARG A 1 87 ? 5.718 -27.378 -37.918 1.00 24.06 ? 118 ARG A C 1 ATOM 657 O O . ARG A 1 87 ? 4.813 -28.218 -37.955 1.00 24.33 ? 118 ARG A O 1 ATOM 658 C CB . ARG A 1 87 ? 5.761 -25.333 -39.272 1.00 24.58 ? 118 ARG A CB 1 ATOM 659 C CG . ARG A 1 87 ? 6.255 -24.461 -40.523 1.00 26.69 ? 118 ARG A CG 1 ATOM 660 C CD . ARG A 1 87 ? 5.793 -22.943 -40.389 1.00 24.14 ? 118 ARG A CD 1 ATOM 661 N NE . ARG A 1 87 ? 6.388 -22.345 -39.155 1.00 27.75 ? 118 ARG A NE 1 ATOM 662 C CZ . ARG A 1 87 ? 7.663 -21.918 -39.084 1.00 25.43 ? 118 ARG A CZ 1 ATOM 663 N NH1 . ARG A 1 87 ? 8.464 -21.992 -40.197 1.00 21.40 ? 118 ARG A NH1 1 ATOM 664 N NH2 . ARG A 1 87 ? 8.100 -21.414 -37.931 1.00 19.92 ? 118 ARG A NH2 1 ATOM 665 N N . SER A 1 88 ? 6.243 -26.920 -36.795 1.00 23.51 ? 119 SER A N 1 ATOM 666 C CA . SER A 1 88 ? 5.952 -27.556 -35.553 1.00 24.74 ? 119 SER A CA 1 ATOM 667 C C . SER A 1 88 ? 4.998 -26.727 -34.695 1.00 24.14 ? 119 SER A C 1 ATOM 668 O O . SER A 1 88 ? 5.120 -25.507 -34.668 1.00 24.19 ? 119 SER A O 1 ATOM 669 C CB . SER A 1 88 ? 7.232 -27.737 -34.798 1.00 26.31 ? 119 SER A CB 1 ATOM 670 O OG . SER A 1 88 ? 6.895 -28.022 -33.460 1.00 26.15 ? 119 SER A OG 1 ATOM 671 N N . PHE A 1 89 ? 4.035 -27.363 -34.011 1.00 23.47 ? 120 PHE A N 1 ATOM 672 C CA . PHE A 1 89 ? 3.046 -26.600 -33.200 1.00 22.79 ? 120 PHE A CA 1 ATOM 673 C C . PHE A 1 89 ? 3.059 -27.202 -31.820 1.00 23.44 ? 120 PHE A C 1 ATOM 674 O O . PHE A 1 89 ? 3.505 -28.332 -31.690 1.00 26.57 ? 120 PHE A O 1 ATOM 675 C CB . PHE A 1 89 ? 1.669 -26.674 -33.788 1.00 20.53 ? 120 PHE A CB 1 ATOM 676 C CG . PHE A 1 89 ? 1.556 -26.035 -35.172 1.00 19.53 ? 120 PHE A CG 1 ATOM 677 C CD1 . PHE A 1 89 ? 0.919 -24.780 -35.327 1.00 16.02 ? 120 PHE A CD1 1 ATOM 678 C CD2 . PHE A 1 89 ? 2.044 -26.702 -36.300 1.00 17.02 ? 120 PHE A CD2 1 ATOM 679 C CE1 . PHE A 1 89 ? 0.781 -24.242 -36.656 1.00 16.36 ? 120 PHE A CE1 1 ATOM 680 C CE2 . PHE A 1 89 ? 1.912 -26.196 -37.560 1.00 17.34 ? 120 PHE A CE2 1 ATOM 681 C CZ . PHE A 1 89 ? 1.322 -24.953 -37.751 1.00 18.90 ? 120 PHE A CZ 1 ATOM 682 N N . SER A 1 90 ? 2.553 -26.530 -30.788 1.00 22.60 ? 121 SER A N 1 ATOM 683 C CA . SER A 1 90 ? 2.656 -27.142 -29.447 1.00 22.94 ? 121 SER A CA 1 ATOM 684 C C . SER A 1 90 ? 1.543 -26.495 -28.660 1.00 22.46 ? 121 SER A C 1 ATOM 685 O O . SER A 1 90 ? 1.683 -25.343 -28.323 1.00 21.33 ? 121 SER A O 1 ATOM 686 C CB . SER A 1 90 ? 3.942 -26.739 -28.760 1.00 24.52 ? 121 SER A CB 1 ATOM 687 O OG . SER A 1 90 ? 5.106 -27.317 -29.321 1.00 28.11 ? 121 SER A OG 1 ATOM 688 N N . ASN A 1 91 ? 0.424 -27.197 -28.415 1.00 21.73 ? 122 ASN A N 1 ATOM 689 C CA . ASN A 1 91 ? -0.645 -26.608 -27.658 1.00 20.13 ? 122 ASN A CA 1 ATOM 690 C C . ASN A 1 91 ? -0.211 -26.865 -26.216 1.00 20.05 ? 122 ASN A C 1 ATOM 691 O O . ASN A 1 91 ? 0.569 -27.766 -25.963 1.00 21.99 ? 122 ASN A O 1 ATOM 692 C CB . ASN A 1 91 ? -1.990 -27.318 -27.868 1.00 21.35 ? 122 ASN A CB 1 ATOM 693 C CG . ASN A 1 91 ? -2.517 -27.184 -29.277 1.00 22.42 ? 122 ASN A CG 1 ATOM 694 O OD1 . ASN A 1 91 ? -2.682 -26.087 -29.792 1.00 19.30 ? 122 ASN A OD1 1 ATOM 695 N ND2 . ASN A 1 91 ? -2.887 -28.310 -29.871 1.00 25.09 ? 122 ASN A ND2 1 ATOM 696 N N . ILE A 1 92 ? -0.680 -26.097 -25.268 1.00 19.23 ? 123 ILE A N 1 ATOM 697 C CA . ILE A 1 92 ? -0.163 -26.328 -23.856 1.00 19.67 ? 123 ILE A CA 1 ATOM 698 C C . ILE A 1 92 ? -1.381 -26.551 -23.070 1.00 21.23 ? 123 ILE A C 1 ATOM 699 O O . ILE A 1 92 ? -2.305 -25.692 -23.137 1.00 23.29 ? 123 ILE A O 1 ATOM 700 C CB . ILE A 1 92 ? 0.435 -25.057 -23.275 1.00 18.97 ? 123 ILE A CB 1 ATOM 701 C CG1 . ILE A 1 92 ? 1.573 -24.547 -24.070 1.00 18.68 ? 123 ILE A CG1 1 ATOM 702 C CG2 . ILE A 1 92 ? 0.954 -25.182 -21.674 1.00 18.99 ? 123 ILE A CG2 1 ATOM 703 C CD1 . ILE A 1 92 ? 1.879 -23.028 -23.766 1.00 19.65 ? 123 ILE A CD1 1 ATOM 704 N N . ILE A 1 93 ? -1.417 -27.659 -22.320 1.00 24.23 ? 124 ILE A N 1 ATOM 705 C CA . ILE A 1 93 ? -2.560 -28.020 -21.472 1.00 23.71 ? 124 ILE A CA 1 ATOM 706 C C . ILE A 1 93 ? -2.127 -28.107 -20.035 1.00 25.94 ? 124 ILE A C 1 ATOM 707 O O . ILE A 1 93 ? -1.229 -28.876 -19.707 1.00 26.74 ? 124 ILE A O 1 ATOM 708 C CB . ILE A 1 93 ? -3.242 -29.383 -21.875 1.00 24.20 ? 124 ILE A CB 1 ATOM 709 C CG1 . ILE A 1 93 ? -3.679 -29.434 -23.335 1.00 23.20 ? 124 ILE A CG1 1 ATOM 710 C CG2 . ILE A 1 93 ? -4.491 -29.652 -21.030 1.00 21.51 ? 124 ILE A CG2 1 ATOM 711 C CD1 . ILE A 1 93 ? -2.612 -29.944 -24.292 1.00 26.88 ? 124 ILE A CD1 1 ATOM 712 N N . SER A 1 94 ? -2.830 -27.385 -19.182 1.00 26.96 ? 125 SER A N 1 ATOM 713 C CA . SER A 1 94 ? -2.572 -27.354 -17.741 1.00 29.61 ? 125 SER A CA 1 ATOM 714 C C . SER A 1 94 ? -3.867 -27.867 -17.137 1.00 30.97 ? 125 SER A C 1 ATOM 715 O O . SER A 1 94 ? -4.924 -27.228 -17.323 1.00 32.78 ? 125 SER A O 1 ATOM 716 C CB . SER A 1 94 ? -2.241 -25.916 -17.241 1.00 28.56 ? 125 SER A CB 1 ATOM 717 O OG . SER A 1 94 ? -1.918 -25.904 -15.799 1.00 33.61 ? 125 SER A OG 1 ATOM 718 N N . THR A 1 95 ? -3.812 -29.037 -16.498 1.00 31.50 ? 126 THR A N 1 ATOM 719 C CA . THR A 1 95 ? -5.018 -29.614 -15.913 1.00 32.12 ? 126 THR A CA 1 ATOM 720 C C . THR A 1 95 ? -4.844 -29.825 -14.432 1.00 33.27 ? 126 THR A C 1 ATOM 721 O O . THR A 1 95 ? -3.832 -30.349 -14.003 1.00 34.77 ? 126 THR A O 1 ATOM 722 C CB . THR A 1 95 ? -5.421 -30.952 -16.578 1.00 31.79 ? 126 THR A CB 1 ATOM 723 O OG1 . THR A 1 95 ? -5.570 -30.762 -17.993 1.00 28.76 ? 126 THR A OG1 1 ATOM 724 C CG2 . THR A 1 95 ? -6.746 -31.453 -15.969 1.00 32.54 ? 126 THR A CG2 1 ATOM 725 N N . LEU A 1 96 ? -5.809 -29.387 -13.644 1.00 35.26 ? 127 LEU A N 1 ATOM 726 C CA . LEU A 1 96 ? -5.948 -29.919 -12.294 1.00 37.58 ? 127 LEU A CA 1 ATOM 727 C C . LEU A 1 96 ? -6.799 -31.206 -12.359 1.00 39.43 ? 127 LEU A C 1 ATOM 728 O O . LEU A 1 96 ? -7.768 -31.289 -13.126 1.00 37.38 ? 127 LEU A O 1 ATOM 729 C CB . LEU A 1 96 ? -6.571 -28.889 -11.352 1.00 38.82 ? 127 LEU A CB 1 ATOM 730 C CG . LEU A 1 96 ? -5.778 -27.590 -11.158 1.00 38.29 ? 127 LEU A CG 1 ATOM 731 C CD1 . LEU A 1 96 ? -6.612 -26.520 -10.467 1.00 32.74 ? 127 LEU A CD1 1 ATOM 732 C CD2 . LEU A 1 96 ? -4.541 -27.880 -10.354 1.00 42.15 ? 127 LEU A CD2 1 ATOM 733 N N . ASN A 1 97 ? -6.426 -32.204 -11.561 1.00 42.07 ? 128 ASN A N 1 ATOM 734 C CA . ASN A 1 97 ? -7.184 -33.454 -11.432 1.00 44.59 ? 128 ASN A CA 1 ATOM 735 C C . ASN A 1 97 ? -7.410 -34.127 -12.801 1.00 43.23 ? 128 ASN A C 1 ATOM 736 O O . ASN A 1 97 ? -8.528 -34.199 -13.279 1.00 44.36 ? 128 ASN A O 1 ATOM 737 C CB . ASN A 1 97 ? -8.527 -33.213 -10.711 1.00 45.47 ? 128 ASN A CB 1 ATOM 738 C CG . ASN A 1 97 ? -8.366 -32.568 -9.321 1.00 47.92 ? 128 ASN A CG 1 ATOM 739 O OD1 . ASN A 1 97 ? -8.086 -33.235 -8.326 1.00 47.35 ? 128 ASN A OD1 1 ATOM 740 N ND2 . ASN A 1 97 ? -8.597 -31.268 -9.255 1.00 48.69 ? 128 ASN A ND2 1 ATOM 741 N N . PRO A 1 98 ? -6.353 -34.623 -13.445 1.00 42.24 ? 129 PRO A N 1 ATOM 742 C CA . PRO A 1 98 ? -6.601 -35.017 -14.844 1.00 40.36 ? 129 PRO A CA 1 ATOM 743 C C . PRO A 1 98 ? -7.526 -36.213 -14.987 1.00 40.35 ? 129 PRO A C 1 ATOM 744 O O . PRO A 1 98 ? -7.945 -36.502 -16.071 1.00 40.76 ? 129 PRO A O 1 ATOM 745 C CB . PRO A 1 98 ? -5.208 -35.434 -15.347 1.00 39.59 ? 129 PRO A CB 1 ATOM 746 C CG . PRO A 1 98 ? -4.248 -34.851 -14.327 1.00 41.47 ? 129 PRO A CG 1 ATOM 747 C CD . PRO A 1 98 ? -5.000 -35.007 -13.012 1.00 43.02 ? 129 PRO A CD 1 ATOM 748 N N . THR A 1 99 ? -7.775 -36.942 -13.907 1.00 42.23 ? 130 THR A N 1 ATOM 749 C CA . THR A 1 99 ? -8.607 -38.124 -14.001 1.00 42.07 ? 130 THR A CA 1 ATOM 750 C C . THR A 1 99 ? -10.046 -37.829 -13.582 1.00 43.25 ? 130 THR A C 1 ATOM 751 O O . THR A 1 99 ? -10.932 -38.666 -13.789 1.00 43.85 ? 130 THR A O 1 ATOM 752 C CB . THR A 1 99 ? -8.034 -39.289 -13.199 1.00 44.34 ? 130 THR A CB 1 ATOM 753 O OG1 . THR A 1 99 ? -7.990 -38.938 -11.791 1.00 43.81 ? 130 THR A OG1 1 ATOM 754 C CG2 . THR A 1 99 ? -6.629 -39.653 -13.751 1.00 41.98 ? 130 THR A CG2 1 ATOM 755 N N . ALA A 1 100 ? -10.284 -36.651 -12.998 1.00 42.65 ? 131 ALA A N 1 ATOM 756 C CA . ALA A 1 100 ? -11.632 -36.185 -12.821 1.00 43.41 ? 131 ALA A CA 1 ATOM 757 C C . ALA A 1 100 ? -12.380 -36.257 -14.159 1.00 42.30 ? 131 ALA A C 1 ATOM 758 O O . ALA A 1 100 ? -11.807 -36.059 -15.282 1.00 41.08 ? 131 ALA A O 1 ATOM 759 C CB . ALA A 1 100 ? -11.670 -34.768 -12.214 1.00 43.12 ? 131 ALA A CB 1 ATOM 760 N N . LYS A 1 101 ? -13.649 -36.622 -14.034 1.00 44.09 ? 132 LYS A N 1 ATOM 761 C CA . LYS A 1 101 ? -14.501 -36.913 -15.164 1.00 44.77 ? 132 LYS A CA 1 ATOM 762 C C . LYS A 1 101 ? -14.822 -35.657 -15.924 1.00 42.82 ? 132 LYS A C 1 ATOM 763 O O . LYS A 1 101 ? -14.718 -35.644 -17.138 1.00 41.49 ? 132 LYS A O 1 ATOM 764 C CB . LYS A 1 101 ? -15.802 -37.587 -14.706 1.00 47.54 ? 132 LYS A CB 1 ATOM 765 C CG . LYS A 1 101 ? -16.736 -37.927 -15.873 1.00 49.70 ? 132 LYS A CG 1 ATOM 766 C CD . LYS A 1 101 ? -18.152 -37.345 -15.641 1.00 54.52 ? 132 LYS A CD 1 ATOM 767 C CE . LYS A 1 101 ? -18.788 -37.830 -14.320 1.00 58.82 ? 132 LYS A CE 1 ATOM 768 N NZ . LYS A 1 101 ? -19.380 -39.214 -14.454 1.00 62.53 ? 132 LYS A NZ 1 ATOM 769 N N . ARG A 1 102 ? -15.251 -34.609 -15.205 1.00 42.77 ? 133 ARG A N 1 ATOM 770 C CA . ARG A 1 102 ? -15.623 -33.346 -15.864 1.00 40.32 ? 133 ARG A CA 1 ATOM 771 C C . ARG A 1 102 ? -14.596 -32.243 -15.645 1.00 39.48 ? 133 ARG A C 1 ATOM 772 O O . ARG A 1 102 ? -14.038 -32.087 -14.521 1.00 41.14 ? 133 ARG A O 1 ATOM 773 C CB . ARG A 1 102 ? -17.011 -32.885 -15.399 1.00 40.52 ? 133 ARG A CB 1 ATOM 774 C CG . ARG A 1 102 ? -18.098 -33.885 -15.735 1.00 40.11 ? 133 ARG A CG 1 ATOM 775 C CD . ARG A 1 102 ? -19.366 -33.689 -14.954 1.00 41.22 ? 133 ARG A CD 1 ATOM 776 N NE . ARG A 1 102 ? -19.732 -32.276 -14.889 1.00 42.22 ? 133 ARG A NE 1 ATOM 777 C CZ . ARG A 1 102 ? -20.381 -31.752 -13.854 1.00 41.82 ? 133 ARG A CZ 1 ATOM 778 N NH1 . ARG A 1 102 ? -20.719 -32.535 -12.890 1.00 42.06 ? 133 ARG A NH1 1 ATOM 779 N NH2 . ARG A 1 102 ? -20.704 -30.473 -13.784 1.00 42.93 ? 133 ARG A NH2 1 ATOM 780 N N . HIS A 1 103 ? -14.379 -31.443 -16.686 1.00 37.00 ? 134 HIS A N 1 ATOM 781 C CA . HIS A 1 103 ? -13.593 -30.211 -16.543 1.00 35.69 ? 134 HIS A CA 1 ATOM 782 C C . HIS A 1 103 ? -14.191 -28.989 -17.225 1.00 35.04 ? 134 HIS A C 1 ATOM 783 O O . HIS A 1 103 ? -14.556 -29.011 -18.405 1.00 32.91 ? 134 HIS A O 1 ATOM 784 C CB . HIS A 1 103 ? -12.130 -30.370 -17.024 1.00 33.20 ? 134 HIS A CB 1 ATOM 785 C CG . HIS A 1 103 ? -11.270 -31.225 -16.123 1.00 34.90 ? 134 HIS A CG 1 ATOM 786 N ND1 . HIS A 1 103 ? -11.058 -32.575 -16.345 1.00 35.79 ? 134 HIS A ND1 1 ATOM 787 C CD2 . HIS A 1 103 ? -10.553 -30.919 -15.017 1.00 33.66 ? 134 HIS A CD2 1 ATOM 788 C CE1 . HIS A 1 103 ? -10.276 -33.066 -15.398 1.00 34.77 ? 134 HIS A CE1 1 ATOM 789 N NE2 . HIS A 1 103 ? -9.947 -32.081 -14.589 1.00 35.56 ? 134 HIS A NE2 1 ATOM 790 N N . LEU A 1 104 ? -14.280 -27.921 -16.443 1.00 35.54 ? 135 LEU A N 1 ATOM 791 C CA . LEU A 1 104 ? -14.385 -26.563 -16.977 1.00 33.71 ? 135 LEU A CA 1 ATOM 792 C C . LEU A 1 104 ? -13.112 -26.191 -17.719 1.00 31.11 ? 135 LEU A C 1 ATOM 793 O O . LEU A 1 104 ? -12.038 -26.213 -17.149 1.00 30.66 ? 135 LEU A O 1 ATOM 794 C CB . LEU A 1 104 ? -14.570 -25.585 -15.818 1.00 34.50 ? 135 LEU A CB 1 ATOM 795 C CG . LEU A 1 104 ? -14.697 -24.059 -16.000 1.00 33.09 ? 135 LEU A CG 1 ATOM 796 C CD1 . LEU A 1 104 ? -15.778 -23.693 -16.994 1.00 29.88 ? 135 LEU A CD1 1 ATOM 797 C CD2 . LEU A 1 104 ? -14.964 -23.442 -14.544 1.00 29.85 ? 135 LEU A CD2 1 ATOM 798 N N . VAL A 1 105 ? -13.215 -25.822 -18.995 1.00 29.49 ? 136 VAL A N 1 ATOM 799 C CA . VAL A 1 105 ? -12.005 -25.517 -19.725 1.00 26.86 ? 136 VAL A CA 1 ATOM 800 C C . VAL A 1 105 ? -11.892 -24.003 -20.017 1.00 26.39 ? 136 VAL A C 1 ATOM 801 O O . VAL A 1 105 ? -12.842 -23.394 -20.571 1.00 26.92 ? 136 VAL A O 1 ATOM 802 C CB . VAL A 1 105 ? -12.018 -26.362 -21.011 1.00 28.40 ? 136 VAL A CB 1 ATOM 803 C CG1 . VAL A 1 105 ? -10.693 -26.235 -21.764 1.00 23.99 ? 136 VAL A CG1 1 ATOM 804 C CG2 . VAL A 1 105 ? -12.366 -27.814 -20.601 1.00 29.14 ? 136 VAL A CG2 1 ATOM 805 N N . LEU A 1 106 ? -10.785 -23.381 -19.613 1.00 25.12 ? 137 LEU A N 1 ATOM 806 C CA . LEU A 1 106 ? -10.451 -22.041 -20.107 1.00 26.10 ? 137 LEU A CA 1 ATOM 807 C C . LEU A 1 106 ? -9.420 -22.049 -21.312 1.00 24.58 ? 137 LEU A C 1 ATOM 808 O O . LEU A 1 106 ? -8.455 -22.801 -21.316 1.00 24.72 ? 137 LEU A O 1 ATOM 809 C CB . LEU A 1 106 ? -9.983 -21.131 -19.001 1.00 25.38 ? 137 LEU A CB 1 ATOM 810 C CG . LEU A 1 106 ? -10.895 -21.129 -17.747 1.00 32.99 ? 137 LEU A CG 1 ATOM 811 C CD1 . LEU A 1 106 ? -10.284 -20.311 -16.624 1.00 31.68 ? 137 LEU A CD1 1 ATOM 812 C CD2 . LEU A 1 106 ? -12.401 -20.656 -18.008 1.00 32.78 ? 137 LEU A CD2 1 ATOM 813 N N . ALA A 1 107 ? -9.590 -21.180 -22.277 1.00 23.84 ? 138 ALA A N 1 ATOM 814 C CA . ALA A 1 107 ? -8.705 -21.271 -23.459 1.00 25.84 ? 138 ALA A CA 1 ATOM 815 C C . ALA A 1 107 ? -8.462 -19.920 -24.187 1.00 26.26 ? 138 ALA A C 1 ATOM 816 O O . ALA A 1 107 ? -9.332 -19.068 -24.215 1.00 27.34 ? 138 ALA A O 1 ATOM 817 C CB . ALA A 1 107 ? -9.198 -22.327 -24.411 1.00 23.27 ? 138 ALA A CB 1 ATOM 818 N N . CYS A 1 108 ? -7.222 -19.726 -24.649 1.00 27.01 ? 139 CYS A N 1 ATOM 819 C CA . CYS A 1 108 ? -6.766 -18.583 -25.464 1.00 25.94 ? 139 CYS A CA 1 ATOM 820 C C . CYS A 1 108 ? -5.913 -19.265 -26.533 1.00 24.19 ? 139 CYS A C 1 ATOM 821 O O . CYS A 1 108 ? -5.500 -20.435 -26.348 1.00 24.94 ? 139 CYS A O 1 ATOM 822 C CB . CYS A 1 108 ? -5.897 -17.578 -24.656 1.00 26.67 ? 139 CYS A CB 1 ATOM 823 S SG . CYS A 1 108 ? -4.297 -18.212 -24.014 1.00 29.85 ? 139 CYS A SG 1 ATOM 824 N N . HIS A 1 109 ? -5.616 -18.580 -27.637 1.00 22.40 ? 140 HIS A N 1 ATOM 825 C CA . HIS A 1 109 ? -4.519 -19.055 -28.453 1.00 20.00 ? 140 HIS A CA 1 ATOM 826 C C . HIS A 1 109 ? -3.320 -18.185 -28.133 1.00 20.51 ? 140 HIS A C 1 ATOM 827 O O . HIS A 1 109 ? -3.469 -16.954 -28.105 1.00 20.82 ? 140 HIS A O 1 ATOM 828 C CB . HIS A 1 109 ? -4.870 -18.919 -29.935 1.00 20.55 ? 140 HIS A CB 1 ATOM 829 C CG . HIS A 1 109 ? -4.771 -17.536 -30.421 1.00 21.16 ? 140 HIS A CG 1 ATOM 830 N ND1 . HIS A 1 109 ? -3.583 -17.017 -30.862 1.00 19.43 ? 140 HIS A ND1 1 ATOM 831 C CD2 . HIS A 1 109 ? -5.683 -16.526 -30.491 1.00 23.06 ? 140 HIS A CD2 1 ATOM 832 C CE1 . HIS A 1 109 ? -3.769 -15.763 -31.226 1.00 24.17 ? 140 HIS A CE1 1 ATOM 833 N NE2 . HIS A 1 109 ? -5.020 -15.430 -30.984 1.00 21.15 ? 140 HIS A NE2 1 ATOM 834 N N . TYR A 1 110 ? -2.161 -18.809 -27.894 1.00 20.32 ? 141 TYR A N 1 ATOM 835 C CA . TYR A 1 110 ? -0.903 -18.132 -27.504 1.00 19.81 ? 141 TYR A CA 1 ATOM 836 C C . TYR A 1 110 ? 0.046 -17.852 -28.657 1.00 18.92 ? 141 TYR A C 1 ATOM 837 O O . TYR A 1 110 ? 1.029 -17.130 -28.451 1.00 19.39 ? 141 TYR A O 1 ATOM 838 C CB . TYR A 1 110 ? -0.150 -18.799 -26.305 1.00 20.41 ? 141 TYR A CB 1 ATOM 839 C CG . TYR A 1 110 ? 0.791 -19.988 -26.745 1.00 22.98 ? 141 TYR A CG 1 ATOM 840 C CD1 . TYR A 1 110 ? 0.252 -21.269 -27.008 1.00 19.34 ? 141 TYR A CD1 1 ATOM 841 C CD2 . TYR A 1 110 ? 2.187 -19.803 -26.954 1.00 20.37 ? 141 TYR A CD2 1 ATOM 842 C CE1 . TYR A 1 110 ? 1.062 -22.356 -27.410 1.00 20.79 ? 141 TYR A CE1 1 ATOM 843 C CE2 . TYR A 1 110 ? 3.014 -20.879 -27.413 1.00 20.77 ? 141 TYR A CE2 1 ATOM 844 C CZ . TYR A 1 110 ? 2.437 -22.152 -27.617 1.00 24.02 ? 141 TYR A CZ 1 ATOM 845 O OH . TYR A 1 110 ? 3.192 -23.231 -28.041 1.00 22.10 ? 141 TYR A OH 1 ATOM 846 N N . ASP A 1 111 ? -0.222 -18.345 -29.876 1.00 19.41 ? 142 ASP A N 1 ATOM 847 C CA . ASP A 1 111 ? 0.537 -17.797 -31.012 1.00 19.02 ? 142 ASP A CA 1 ATOM 848 C C . ASP A 1 111 ? 0.219 -16.298 -31.377 1.00 21.66 ? 142 ASP A C 1 ATOM 849 O O . ASP A 1 111 ? -0.822 -15.736 -30.930 1.00 22.25 ? 142 ASP A O 1 ATOM 850 C CB . ASP A 1 111 ? 0.329 -18.660 -32.276 1.00 21.25 ? 142 ASP A CB 1 ATOM 851 C CG . ASP A 1 111 ? -1.099 -18.691 -32.742 1.00 17.23 ? 142 ASP A CG 1 ATOM 852 O OD1 . ASP A 1 111 ? -1.929 -18.861 -31.829 1.00 17.98 ? 142 ASP A OD1 1 ATOM 853 O OD2 . ASP A 1 111 ? -1.346 -18.640 -33.986 1.00 15.50 ? 142 ASP A OD2 1 ATOM 854 N N . SER A 1 112 ? 1.078 -15.658 -32.211 1.00 20.44 ? 143 SER A N 1 ATOM 855 C CA . SER A 1 112 ? 0.762 -14.385 -32.762 1.00 20.04 ? 143 SER A CA 1 ATOM 856 C C . SER A 1 112 ? 0.768 -14.641 -34.293 1.00 20.23 ? 143 SER A C 1 ATOM 857 O O . SER A 1 112 ? 1.350 -15.569 -34.792 1.00 19.17 ? 143 SER A O 1 ATOM 858 C CB . SER A 1 112 ? 1.754 -13.309 -32.338 1.00 21.89 ? 143 SER A CB 1 ATOM 859 O OG . SER A 1 112 ? 3.060 -13.643 -32.763 1.00 20.75 ? 143 SER A OG 1 ATOM 860 N N . LYS A 1 113 ? 0.070 -13.828 -34.999 1.00 19.34 ? 144 LYS A N 1 ATOM 861 C CA . LYS A 1 113 ? -0.140 -14.062 -36.447 1.00 19.82 ? 144 LYS A CA 1 ATOM 862 C C . LYS A 1 113 ? 1.126 -13.686 -37.155 1.00 21.62 ? 144 LYS A C 1 ATOM 863 O O . LYS A 1 113 ? 1.713 -12.581 -36.957 1.00 22.76 ? 144 LYS A O 1 ATOM 864 C CB . LYS A 1 113 ? -1.261 -13.197 -36.909 1.00 18.38 ? 144 LYS A CB 1 ATOM 865 C CG . LYS A 1 113 ? -1.566 -13.261 -38.444 1.00 22.37 ? 144 LYS A CG 1 ATOM 866 C CD . LYS A 1 113 ? -2.985 -12.623 -38.593 1.00 20.69 ? 144 LYS A CD 1 ATOM 867 C CE . LYS A 1 113 ? -3.274 -12.516 -40.151 1.00 20.77 ? 144 LYS A CE 1 ATOM 868 N NZ . LYS A 1 113 ? -3.194 -13.896 -40.728 1.00 23.77 ? 144 LYS A NZ 1 ATOM 869 N N . TYR A 1 114 ? 1.636 -14.623 -37.912 1.00 22.69 ? 145 TYR A N 1 ATOM 870 C CA . TYR A 1 114 ? 2.792 -14.289 -38.758 1.00 25.19 ? 145 TYR A CA 1 ATOM 871 C C . TYR A 1 114 ? 2.483 -13.145 -39.698 1.00 27.61 ? 145 TYR A C 1 ATOM 872 O O . TYR A 1 114 ? 1.638 -13.277 -40.567 1.00 29.45 ? 145 TYR A O 1 ATOM 873 C CB . TYR A 1 114 ? 3.225 -15.540 -39.550 1.00 23.89 ? 145 TYR A CB 1 ATOM 874 C CG . TYR A 1 114 ? 4.382 -15.342 -40.491 1.00 25.25 ? 145 TYR A CG 1 ATOM 875 C CD1 . TYR A 1 114 ? 5.653 -15.110 -39.984 1.00 28.07 ? 145 TYR A CD1 1 ATOM 876 C CD2 . TYR A 1 114 ? 4.208 -15.360 -41.903 1.00 29.56 ? 145 TYR A CD2 1 ATOM 877 C CE1 . TYR A 1 114 ? 6.704 -14.914 -40.790 1.00 25.19 ? 145 TYR A CE1 1 ATOM 878 C CE2 . TYR A 1 114 ? 5.299 -15.183 -42.741 1.00 26.20 ? 145 TYR A CE2 1 ATOM 879 C CZ . TYR A 1 114 ? 6.537 -14.949 -42.131 1.00 25.52 ? 145 TYR A CZ 1 ATOM 880 O OH . TYR A 1 114 ? 7.664 -14.759 -42.841 1.00 30.73 ? 145 TYR A OH 1 ATOM 881 N N . PHE A 1 115 ? 3.253 -12.046 -39.618 1.00 31.17 ? 146 PHE A N 1 ATOM 882 C CA . PHE A 1 115 ? 3.153 -10.986 -40.661 1.00 34.10 ? 146 PHE A CA 1 ATOM 883 C C . PHE A 1 115 ? 4.383 -10.778 -41.556 1.00 37.16 ? 146 PHE A C 1 ATOM 884 O O . PHE A 1 115 ? 5.501 -10.644 -41.060 1.00 39.80 ? 146 PHE A O 1 ATOM 885 C CB . PHE A 1 115 ? 2.654 -9.660 -40.075 1.00 32.90 ? 146 PHE A CB 1 ATOM 886 C CG . PHE A 1 115 ? 1.144 -9.640 -39.822 1.00 32.16 ? 146 PHE A CG 1 ATOM 887 C CD1 . PHE A 1 115 ? 0.239 -9.534 -40.886 1.00 30.65 ? 146 PHE A CD1 1 ATOM 888 C CD2 . PHE A 1 115 ? 0.643 -9.709 -38.522 1.00 27.20 ? 146 PHE A CD2 1 ATOM 889 C CE1 . PHE A 1 115 ? -1.126 -9.526 -40.647 1.00 29.37 ? 146 PHE A CE1 1 ATOM 890 C CE2 . PHE A 1 115 ? -0.723 -9.683 -38.267 1.00 27.33 ? 146 PHE A CE2 1 ATOM 891 C CZ . PHE A 1 115 ? -1.599 -9.588 -39.300 1.00 28.39 ? 146 PHE A CZ 1 ATOM 892 N N . ASN A 1 119 ? 5.505 -3.089 -40.789 1.00 60.48 ? 150 ASN A N 1 ATOM 893 C CA . ASN A 1 119 ? 5.701 -1.731 -41.312 1.00 63.03 ? 150 ASN A CA 1 ATOM 894 C C . ASN A 1 119 ? 7.165 -1.309 -41.108 1.00 63.62 ? 150 ASN A C 1 ATOM 895 O O . ASN A 1 119 ? 7.510 -0.127 -41.202 1.00 65.55 ? 150 ASN A O 1 ATOM 896 C CB . ASN A 1 119 ? 4.759 -0.726 -40.592 1.00 63.33 ? 150 ASN A CB 1 ATOM 897 C CG . ASN A 1 119 ? 3.412 -0.513 -41.312 1.00 64.02 ? 150 ASN A CG 1 ATOM 898 O OD1 . ASN A 1 119 ? 3.338 -0.405 -42.545 1.00 64.39 ? 150 ASN A OD1 1 ATOM 899 N ND2 . ASN A 1 119 ? 2.354 -0.391 -40.526 1.00 61.88 ? 150 ASN A ND2 1 ATOM 900 N N . ASN A 1 120 ? 8.020 -2.310 -40.874 1.00 62.23 ? 151 ASN A N 1 ATOM 901 C CA . ASN A 1 120 ? 9.242 -2.167 -40.058 1.00 61.18 ? 151 ASN A CA 1 ATOM 902 C C . ASN A 1 120 ? 8.791 -2.024 -38.588 1.00 58.55 ? 151 ASN A C 1 ATOM 903 O O . ASN A 1 120 ? 9.327 -1.210 -37.815 1.00 60.08 ? 151 ASN A O 1 ATOM 904 C CB . ASN A 1 120 ? 10.150 -1.009 -40.524 1.00 64.22 ? 151 ASN A CB 1 ATOM 905 C CG . ASN A 1 120 ? 11.656 -1.227 -40.172 1.00 65.56 ? 151 ASN A CG 1 ATOM 906 O OD1 . ASN A 1 120 ? 12.413 -0.256 -40.017 1.00 66.29 ? 151 ASN A OD1 1 ATOM 907 N ND2 . ASN A 1 120 ? 12.084 -2.494 -40.081 1.00 62.35 ? 151 ASN A ND2 1 ATOM 908 N N . ARG A 1 121 ? 7.764 -2.819 -38.250 1.00 54.03 ? 152 ARG A N 1 ATOM 909 C CA . ARG A 1 121 ? 7.258 -3.031 -36.882 1.00 49.95 ? 152 ARG A CA 1 ATOM 910 C C . ARG A 1 121 ? 6.891 -4.510 -36.686 1.00 45.74 ? 152 ARG A C 1 ATOM 911 O O . ARG A 1 121 ? 6.791 -5.273 -37.665 1.00 44.65 ? 152 ARG A O 1 ATOM 912 C CB . ARG A 1 121 ? 6.030 -2.174 -36.622 1.00 50.42 ? 152 ARG A CB 1 ATOM 913 C CG . ARG A 1 121 ? 6.326 -0.725 -36.516 1.00 52.30 ? 152 ARG A CG 1 ATOM 914 C CD . ARG A 1 121 ? 5.061 0.024 -36.708 1.00 54.29 ? 152 ARG A CD 1 ATOM 915 N NE . ARG A 1 121 ? 4.258 0.038 -35.485 1.00 52.97 ? 152 ARG A NE 1 ATOM 916 C CZ . ARG A 1 121 ? 2.975 0.392 -35.460 1.00 51.88 ? 152 ARG A CZ 1 ATOM 917 N NH1 . ARG A 1 121 ? 2.368 0.716 -36.604 1.00 50.47 ? 152 ARG A NH1 1 ATOM 918 N NH2 . ARG A 1 121 ? 2.302 0.411 -34.311 1.00 45.81 ? 152 ARG A NH2 1 ATOM 919 N N . VAL A 1 122 ? 6.687 -4.912 -35.439 1.00 41.22 ? 153 VAL A N 1 ATOM 920 C CA . VAL A 1 122 ? 6.429 -6.327 -35.166 1.00 38.50 ? 153 VAL A CA 1 ATOM 921 C C . VAL A 1 122 ? 5.012 -6.484 -34.679 1.00 34.93 ? 153 VAL A C 1 ATOM 922 O O . VAL A 1 122 ? 4.590 -5.708 -33.855 1.00 36.23 ? 153 VAL A O 1 ATOM 923 C CB . VAL A 1 122 ? 7.376 -6.885 -34.058 1.00 37.88 ? 153 VAL A CB 1 ATOM 924 C CG1 . VAL A 1 122 ? 7.184 -8.380 -33.859 1.00 36.22 ? 153 VAL A CG1 1 ATOM 925 C CG2 . VAL A 1 122 ? 8.803 -6.603 -34.367 1.00 41.45 ? 153 VAL A CG2 1 ATOM 926 N N . PHE A 1 123 ? 4.291 -7.490 -35.163 1.00 31.66 ? 154 PHE A N 1 ATOM 927 C CA . PHE A 1 123 ? 2.960 -7.796 -34.657 1.00 28.19 ? 154 PHE A CA 1 ATOM 928 C C . PHE A 1 123 ? 3.056 -8.591 -33.366 1.00 27.89 ? 154 PHE A C 1 ATOM 929 O O . PHE A 1 123 ? 3.654 -9.674 -33.387 1.00 27.88 ? 154 PHE A O 1 ATOM 930 C CB . PHE A 1 123 ? 2.130 -8.575 -35.688 1.00 26.28 ? 154 PHE A CB 1 ATOM 931 C CG . PHE A 1 123 ? 0.705 -8.801 -35.246 1.00 24.43 ? 154 PHE A CG 1 ATOM 932 C CD1 . PHE A 1 123 ? -0.226 -7.744 -35.257 1.00 26.97 ? 154 PHE A CD1 1 ATOM 933 C CD2 . PHE A 1 123 ? 0.279 -10.037 -34.799 1.00 23.84 ? 154 PHE A CD2 1 ATOM 934 C CE1 . PHE A 1 123 ? -1.572 -7.943 -34.806 1.00 26.96 ? 154 PHE A CE1 1 ATOM 935 C CE2 . PHE A 1 123 ? -1.023 -10.250 -34.358 1.00 23.62 ? 154 PHE A CE2 1 ATOM 936 C CZ . PHE A 1 123 ? -1.967 -9.193 -34.375 1.00 25.04 ? 154 PHE A CZ 1 ATOM 937 N N . VAL A 1 124 ? 2.501 -8.096 -32.249 1.00 28.07 ? 155 VAL A N 1 ATOM 938 C CA . VAL A 1 124 ? 2.587 -8.866 -30.994 1.00 28.19 ? 155 VAL A CA 1 ATOM 939 C C . VAL A 1 124 ? 1.260 -9.361 -30.425 1.00 29.11 ? 155 VAL A C 1 ATOM 940 O O . VAL A 1 124 ? 1.272 -9.892 -29.266 1.00 31.45 ? 155 VAL A O 1 ATOM 941 C CB . VAL A 1 124 ? 3.406 -8.160 -29.837 1.00 29.96 ? 155 VAL A CB 1 ATOM 942 C CG1 . VAL A 1 124 ? 4.918 -7.841 -30.259 1.00 31.06 ? 155 VAL A CG1 1 ATOM 943 C CG2 . VAL A 1 124 ? 2.663 -6.950 -29.249 1.00 27.89 ? 155 VAL A CG2 1 ATOM 944 N N . GLY A 1 125 ? 0.154 -9.186 -31.180 1.00 29.61 ? 156 GLY A N 1 ATOM 945 C CA . GLY A 1 125 ? -1.221 -9.589 -30.802 1.00 28.59 ? 156 GLY A CA 1 ATOM 946 C C . GLY A 1 125 ? -1.473 -9.400 -29.295 1.00 29.89 ? 156 GLY A C 1 ATOM 947 O O . GLY A 1 125 ? -1.523 -10.354 -28.485 1.00 29.08 ? 156 GLY A O 1 ATOM 948 N N . ALA A 1 126 ? -1.585 -8.144 -28.895 1.00 31.05 ? 157 ALA A N 1 ATOM 949 C CA . ALA A 1 126 ? -1.747 -7.826 -27.482 1.00 30.43 ? 157 ALA A CA 1 ATOM 950 C C . ALA A 1 126 ? -3.145 -8.267 -26.940 1.00 30.06 ? 157 ALA A C 1 ATOM 951 O O . ALA A 1 126 ? -3.232 -8.920 -25.874 1.00 30.17 ? 157 ALA A O 1 ATOM 952 C CB . ALA A 1 126 ? -1.521 -6.363 -27.289 1.00 31.39 ? 157 ALA A CB 1 ATOM 953 N N . THR A 1 127 ? -4.218 -7.880 -27.644 1.00 28.21 ? 158 THR A N 1 ATOM 954 C CA . THR A 1 127 ? -5.546 -8.486 -27.428 1.00 26.55 ? 158 THR A CA 1 ATOM 955 C C . THR A 1 127 ? -5.674 -9.929 -27.983 1.00 24.22 ? 158 THR A C 1 ATOM 956 O O . THR A 1 127 ? -6.536 -10.667 -27.549 1.00 23.57 ? 158 THR A O 1 ATOM 957 C CB . THR A 1 127 ? -6.685 -7.680 -28.098 1.00 26.50 ? 158 THR A CB 1 ATOM 958 O OG1 . THR A 1 127 ? -6.467 -7.616 -29.540 1.00 25.22 ? 158 THR A OG1 1 ATOM 959 C CG2 . THR A 1 127 ? -6.763 -6.306 -27.497 1.00 27.47 ? 158 THR A CG2 1 ATOM 960 N N . ASP A 1 128 ? -4.811 -10.299 -28.934 1.00 20.84 ? 159 ASP A N 1 ATOM 961 C CA . ASP A 1 128 ? -4.979 -11.416 -29.854 1.00 18.30 ? 159 ASP A CA 1 ATOM 962 C C . ASP A 1 128 ? -3.656 -12.322 -29.794 1.00 18.39 ? 159 ASP A C 1 ATOM 963 O O . ASP A 1 128 ? -2.919 -12.496 -30.786 1.00 17.35 ? 159 ASP A O 1 ATOM 964 C CB . ASP A 1 128 ? -5.110 -10.748 -31.201 1.00 18.77 ? 159 ASP A CB 1 ATOM 965 C CG . ASP A 1 128 ? -5.586 -11.669 -32.356 1.00 18.46 ? 159 ASP A CG 1 ATOM 966 O OD1 . ASP A 1 128 ? -5.484 -11.167 -33.540 1.00 23.73 ? 159 ASP A OD1 1 ATOM 967 O OD2 . ASP A 1 128 ? -6.056 -12.792 -32.169 1.00 17.94 ? 159 ASP A OD2 1 ATOM 968 N N . SER A 1 129 ? -3.359 -12.894 -28.626 1.00 17.31 ? 160 SER A N 1 ATOM 969 C CA . SER A 1 129 ? -4.237 -12.973 -27.523 1.00 19.03 ? 160 SER A CA 1 ATOM 970 C C . SER A 1 129 ? -3.434 -13.024 -26.258 1.00 20.16 ? 160 SER A C 1 ATOM 971 O O . SER A 1 129 ? -3.755 -13.811 -25.407 1.00 20.05 ? 160 SER A O 1 ATOM 972 C CB . SER A 1 129 ? -5.086 -14.271 -27.608 1.00 18.51 ? 160 SER A CB 1 ATOM 973 O OG . SER A 1 129 ? -6.376 -14.004 -28.162 1.00 25.51 ? 160 SER A OG 1 ATOM 974 N N . ALA A 1 130 ? -2.368 -12.223 -26.157 1.00 22.01 ? 161 ALA A N 1 ATOM 975 C CA . ALA A 1 130 ? -1.536 -12.233 -24.989 1.00 22.55 ? 161 ALA A CA 1 ATOM 976 C C . ALA A 1 130 ? -2.339 -11.972 -23.744 1.00 24.03 ? 161 ALA A C 1 ATOM 977 O O . ALA A 1 130 ? -2.045 -12.522 -22.647 1.00 26.04 ? 161 ALA A O 1 ATOM 978 C CB . ALA A 1 130 ? -0.447 -11.124 -25.135 1.00 23.97 ? 161 ALA A CB 1 ATOM 979 N N . VAL A 1 131 ? -3.292 -11.046 -23.876 1.00 24.82 ? 162 VAL A N 1 ATOM 980 C CA . VAL A 1 131 ? -4.108 -10.651 -22.759 1.00 26.59 ? 162 VAL A CA 1 ATOM 981 C C . VAL A 1 131 ? -5.023 -11.816 -22.291 1.00 26.03 ? 162 VAL A C 1 ATOM 982 O O . VAL A 1 131 ? -4.977 -12.223 -21.084 1.00 25.91 ? 162 VAL A O 1 ATOM 983 C CB . VAL A 1 131 ? -4.855 -9.276 -23.036 1.00 28.61 ? 162 VAL A CB 1 ATOM 984 C CG1 . VAL A 1 131 ? -5.994 -9.037 -21.988 1.00 28.94 ? 162 VAL A CG1 1 ATOM 985 C CG2 . VAL A 1 131 ? -3.865 -8.125 -22.996 1.00 28.72 ? 162 VAL A CG2 1 ATOM 986 N N . PRO A 1 132 ? -5.795 -12.407 -23.229 1.00 24.97 ? 163 PRO A N 1 ATOM 987 C CA . PRO A 1 132 ? -6.535 -13.616 -22.786 1.00 25.36 ? 163 PRO A CA 1 ATOM 988 C C . PRO A 1 132 ? -5.619 -14.630 -22.069 1.00 26.25 ? 163 PRO A C 1 ATOM 989 O O . PRO A 1 132 ? -5.939 -15.010 -20.911 1.00 27.47 ? 163 PRO A O 1 ATOM 990 C CB . PRO A 1 132 ? -7.120 -14.181 -24.091 1.00 24.97 ? 163 PRO A CB 1 ATOM 991 C CG . PRO A 1 132 ? -7.246 -13.020 -25.012 1.00 24.01 ? 163 PRO A CG 1 ATOM 992 C CD . PRO A 1 132 ? -6.190 -11.986 -24.604 1.00 24.28 ? 163 PRO A CD 1 ATOM 993 N N . CYS A 1 133 ? -4.441 -14.956 -22.629 1.00 25.43 ? 164 CYS A N 1 ATOM 994 C CA . CYS A 1 133 ? -3.548 -15.903 -21.858 1.00 25.73 ? 164 CYS A CA 1 ATOM 995 C C . CYS A 1 133 ? -3.136 -15.433 -20.480 1.00 26.38 ? 164 CYS A C 1 ATOM 996 O O . CYS A 1 133 ? -3.092 -16.261 -19.520 1.00 25.60 ? 164 CYS A O 1 ATOM 997 C CB . CYS A 1 133 ? -2.290 -16.277 -22.592 1.00 26.42 ? 164 CYS A CB 1 ATOM 998 S SG . CYS A 1 133 ? -2.638 -16.837 -24.212 1.00 28.74 ? 164 CYS A SG 1 ATOM 999 N N . ALA A 1 134 ? -2.830 -14.128 -20.373 1.00 25.53 ? 165 ALA A N 1 ATOM 1000 C CA . ALA A 1 134 ? -2.316 -13.606 -19.104 1.00 25.94 ? 165 ALA A CA 1 ATOM 1001 C C . ALA A 1 134 ? -3.405 -13.584 -18.055 1.00 26.03 ? 165 ALA A C 1 ATOM 1002 O O . ALA A 1 134 ? -3.149 -13.783 -16.866 1.00 28.52 ? 165 ALA A O 1 ATOM 1003 C CB . ALA A 1 134 ? -1.670 -12.209 -19.277 1.00 25.48 ? 165 ALA A CB 1 ATOM 1004 N N . MET A 1 135 ? -4.611 -13.255 -18.490 1.00 26.55 ? 166 MET A N 1 ATOM 1005 C CA . MET A 1 135 ? -5.844 -13.377 -17.675 1.00 28.37 ? 166 MET A CA 1 ATOM 1006 C C . MET A 1 135 ? -6.013 -14.790 -17.152 1.00 28.05 ? 166 MET A C 1 ATOM 1007 O O . MET A 1 135 ? -6.286 -14.990 -15.984 1.00 29.24 ? 166 MET A O 1 ATOM 1008 C CB . MET A 1 135 ? -7.083 -13.004 -18.507 1.00 28.35 ? 166 MET A CB 1 ATOM 1009 C CG . MET A 1 135 ? -7.247 -11.486 -18.809 1.00 29.52 ? 166 MET A CG 1 ATOM 1010 S SD . MET A 1 135 ? -8.495 -11.141 -20.075 1.00 33.22 ? 166 MET A SD 1 ATOM 1011 C CE . MET A 1 135 ? -9.819 -11.153 -18.912 1.00 29.19 ? 166 MET A CE 1 ATOM 1012 N N . MET A 1 136 ? -5.853 -15.773 -18.027 1.00 28.43 ? 167 MET A N 1 ATOM 1013 C CA . MET A 1 136 ? -5.863 -17.201 -17.600 1.00 28.84 ? 167 MET A CA 1 ATOM 1014 C C . MET A 1 136 ? -4.812 -17.426 -16.534 1.00 29.33 ? 167 MET A C 1 ATOM 1015 O O . MET A 1 136 ? -5.126 -17.902 -15.385 1.00 29.62 ? 167 MET A O 1 ATOM 1016 C CB . MET A 1 136 ? -5.634 -18.104 -18.794 1.00 28.82 ? 167 MET A CB 1 ATOM 1017 C CG . MET A 1 136 ? -6.939 -18.269 -19.561 1.00 28.36 ? 167 MET A CG 1 ATOM 1018 S SD . MET A 1 136 ? -6.627 -18.818 -21.190 1.00 31.96 ? 167 MET A SD 1 ATOM 1019 C CE . MET A 1 136 ? -6.046 -20.511 -20.886 1.00 23.50 ? 167 MET A CE 1 ATOM 1020 N N . LEU A 1 137 ? -3.594 -16.993 -16.847 1.00 27.76 ? 168 LEU A N 1 ATOM 1021 C CA . LEU A 1 137 ? -2.530 -17.015 -15.824 1.00 29.26 ? 168 LEU A CA 1 ATOM 1022 C C . LEU A 1 137 ? -2.822 -16.303 -14.510 1.00 30.57 ? 168 LEU A C 1 ATOM 1023 O O . LEU A 1 137 ? -2.487 -16.824 -13.417 1.00 32.27 ? 168 LEU A O 1 ATOM 1024 C CB . LEU A 1 137 ? -1.200 -16.549 -16.402 1.00 28.96 ? 168 LEU A CB 1 ATOM 1025 C CG . LEU A 1 137 ? -0.534 -17.409 -17.502 1.00 29.75 ? 168 LEU A CG 1 ATOM 1026 C CD1 . LEU A 1 137 ? 0.632 -16.591 -18.118 1.00 27.69 ? 168 LEU A CD1 1 ATOM 1027 C CD2 . LEU A 1 137 ? 0.025 -18.703 -16.936 1.00 25.67 ? 168 LEU A CD2 1 ATOM 1028 N N . GLU A 1 138 ? -3.421 -15.107 -14.583 1.00 29.67 ? 169 GLU A N 1 ATOM 1029 C CA . GLU A 1 138 ? -3.668 -14.343 -13.373 1.00 30.69 ? 169 GLU A CA 1 ATOM 1030 C C . GLU A 1 138 ? -4.786 -15.030 -12.558 1.00 31.62 ? 169 GLU A C 1 ATOM 1031 O O . GLU A 1 138 ? -4.803 -15.035 -11.282 1.00 31.28 ? 169 GLU A O 1 ATOM 1032 C CB . GLU A 1 138 ? -3.989 -12.858 -13.705 1.00 30.08 ? 169 GLU A CB 1 ATOM 1033 C CG . GLU A 1 138 ? -4.770 -12.110 -12.583 1.00 33.98 ? 169 GLU A CG 1 ATOM 1034 C CD . GLU A 1 138 ? -3.951 -11.925 -11.317 1.00 35.90 ? 169 GLU A CD 1 ATOM 1035 O OE1 . GLU A 1 138 ? -2.722 -12.146 -11.375 1.00 39.46 ? 169 GLU A OE1 1 ATOM 1036 O OE2 . GLU A 1 138 ? -4.512 -11.554 -10.257 1.00 35.49 ? 169 GLU A OE2 1 ATOM 1037 N N . LEU A 1 139 ? -5.750 -15.596 -13.308 1.00 30.27 ? 170 LEU A N 1 ATOM 1038 C CA . LEU A 1 139 ? -6.795 -16.389 -12.667 1.00 31.02 ? 170 LEU A CA 1 ATOM 1039 C C . LEU A 1 139 ? -6.190 -17.549 -11.845 1.00 31.77 ? 170 LEU A C 1 ATOM 1040 O O . LEU A 1 139 ? -6.509 -17.713 -10.657 1.00 34.54 ? 170 LEU A O 1 ATOM 1041 C CB . LEU A 1 139 ? -7.857 -16.867 -13.636 1.00 29.46 ? 170 LEU A CB 1 ATOM 1042 C CG . LEU A 1 139 ? -8.989 -17.723 -13.071 1.00 30.92 ? 170 LEU A CG 1 ATOM 1043 C CD1 . LEU A 1 139 ? -10.327 -17.441 -13.727 1.00 30.01 ? 170 LEU A CD1 1 ATOM 1044 C CD2 . LEU A 1 139 ? -8.642 -19.228 -13.173 1.00 29.66 ? 170 LEU A CD2 1 ATOM 1045 N N . ALA A 1 140 ? -5.292 -18.284 -12.458 1.00 29.36 ? 171 ALA A N 1 ATOM 1046 C CA . ALA A 1 140 ? -4.624 -19.402 -11.819 1.00 30.91 ? 171 ALA A CA 1 ATOM 1047 C C . ALA A 1 140 ? -3.859 -18.942 -10.545 1.00 33.56 ? 171 ALA A C 1 ATOM 1048 O O . ALA A 1 140 ? -3.922 -19.585 -9.452 1.00 36.82 ? 171 ALA A O 1 ATOM 1049 C CB . ALA A 1 140 ? -3.676 -20.115 -12.918 1.00 27.93 ? 171 ALA A CB 1 ATOM 1050 N N . ARG A 1 141 ? -3.245 -17.755 -10.626 1.00 34.12 ? 172 ARG A N 1 ATOM 1051 C CA . ARG A 1 141 ? -2.549 -17.206 -9.463 1.00 35.89 ? 172 ARG A CA 1 ATOM 1052 C C . ARG A 1 141 ? -3.536 -16.698 -8.447 1.00 37.79 ? 172 ARG A C 1 ATOM 1053 O O . ARG A 1 141 ? -3.464 -17.088 -7.298 1.00 41.58 ? 172 ARG A O 1 ATOM 1054 C CB . ARG A 1 141 ? -1.539 -16.105 -9.874 1.00 35.71 ? 172 ARG A CB 1 ATOM 1055 C CG . ARG A 1 141 ? -0.544 -15.587 -8.746 1.00 37.34 ? 172 ARG A CG 1 ATOM 1056 C CD . ARG A 1 141 ? -0.176 -14.095 -9.097 1.00 36.62 ? 172 ARG A CD 1 ATOM 1057 N NE . ARG A 1 141 ? -1.386 -13.259 -9.052 1.00 33.57 ? 172 ARG A NE 1 ATOM 1058 C CZ . ARG A 1 141 ? -1.950 -12.850 -7.910 1.00 37.29 ? 172 ARG A CZ 1 ATOM 1059 N NH1 . ARG A 1 141 ? -1.366 -13.107 -6.731 1.00 37.42 ? 172 ARG A NH1 1 ATOM 1060 N NH2 . ARG A 1 141 ? -3.072 -12.139 -7.954 1.00 39.21 ? 172 ARG A NH2 1 ATOM 1061 N N . ALA A 1 142 ? -4.465 -15.828 -8.830 1.00 37.47 ? 173 ALA A N 1 ATOM 1062 C CA . ALA A 1 142 ? -5.369 -15.249 -7.810 1.00 38.90 ? 173 ALA A CA 1 ATOM 1063 C C . ALA A 1 142 ? -6.171 -16.315 -7.080 1.00 39.95 ? 173 ALA A C 1 ATOM 1064 O O . ALA A 1 142 ? -6.479 -16.198 -5.902 1.00 40.50 ? 173 ALA A O 1 ATOM 1065 C CB . ALA A 1 142 ? -6.294 -14.234 -8.421 1.00 38.48 ? 173 ALA A CB 1 ATOM 1066 N N . LEU A 1 143 ? -6.501 -17.384 -7.799 1.00 39.49 ? 174 LEU A N 1 ATOM 1067 C CA . LEU A 1 143 ? -7.339 -18.429 -7.172 1.00 39.48 ? 174 LEU A CA 1 ATOM 1068 C C . LEU A 1 143 ? -6.535 -19.593 -6.576 1.00 38.80 ? 174 LEU A C 1 ATOM 1069 O O . LEU A 1 143 ? -7.123 -20.551 -6.095 1.00 41.52 ? 174 LEU A O 1 ATOM 1070 C CB . LEU A 1 143 ? -8.390 -18.917 -8.213 1.00 37.40 ? 174 LEU A CB 1 ATOM 1071 C CG . LEU A 1 143 ? -9.345 -17.796 -8.761 1.00 36.88 ? 174 LEU A CG 1 ATOM 1072 C CD1 . LEU A 1 143 ? -10.306 -18.289 -9.879 1.00 32.90 ? 174 LEU A CD1 1 ATOM 1073 C CD2 . LEU A 1 143 ? -10.126 -17.047 -7.631 1.00 36.54 ? 174 LEU A CD2 1 ATOM 1074 N N . ASP A 1 144 ? -5.210 -19.495 -6.583 1.00 36.50 ? 175 ASP A N 1 ATOM 1075 C CA . ASP A 1 144 ? -4.341 -20.621 -6.265 1.00 37.56 ? 175 ASP A CA 1 ATOM 1076 C C . ASP A 1 144 ? -4.789 -21.293 -4.977 1.00 39.37 ? 175 ASP A C 1 ATOM 1077 O O . ASP A 1 144 ? -5.062 -22.485 -4.927 1.00 39.62 ? 175 ASP A O 1 ATOM 1078 C CB . ASP A 1 144 ? -2.877 -20.161 -6.075 1.00 38.23 ? 175 ASP A CB 1 ATOM 1079 C CG . ASP A 1 144 ? -1.857 -21.326 -6.125 1.00 39.86 ? 175 ASP A CG 1 ATOM 1080 O OD1 . ASP A 1 144 ? -2.187 -22.416 -6.673 1.00 42.88 ? 175 ASP A OD1 1 ATOM 1081 O OD2 . ASP A 1 144 ? -0.700 -21.110 -5.665 1.00 39.40 ? 175 ASP A OD2 1 ATOM 1082 N N . LYS A 1 145 ? -4.895 -20.524 -3.929 1.00 41.76 ? 176 LYS A N 1 ATOM 1083 C CA . LYS A 1 145 ? -5.247 -21.194 -2.710 1.00 45.56 ? 176 LYS A CA 1 ATOM 1084 C C . LYS A 1 145 ? -6.600 -21.951 -2.812 1.00 46.12 ? 176 LYS A C 1 ATOM 1085 O O . LYS A 1 145 ? -6.661 -23.137 -2.467 1.00 46.12 ? 176 LYS A O 1 ATOM 1086 C CB . LYS A 1 145 ? -5.161 -20.244 -1.548 1.00 48.03 ? 176 LYS A CB 1 ATOM 1087 C CG . LYS A 1 145 ? -4.053 -20.630 -0.576 1.00 51.68 ? 176 LYS A CG 1 ATOM 1088 C CD . LYS A 1 145 ? -3.826 -19.508 0.451 1.00 53.83 ? 176 LYS A CD 1 ATOM 1089 C CE . LYS A 1 145 ? -2.319 -19.187 0.600 1.00 54.01 ? 176 LYS A CE 1 ATOM 1090 N NZ . LYS A 1 145 ? -2.033 -17.746 0.962 1.00 54.58 ? 176 LYS A NZ 1 ATOM 1091 N N . LYS A 1 146 ? -7.651 -21.313 -3.344 1.00 46.10 ? 177 LYS A N 1 ATOM 1092 C CA . LYS A 1 146 ? -8.946 -22.006 -3.461 1.00 46.70 ? 177 LYS A CA 1 ATOM 1093 C C . LYS A 1 146 ? -8.858 -23.183 -4.437 1.00 45.04 ? 177 LYS A C 1 ATOM 1094 O O . LYS A 1 146 ? -9.479 -24.196 -4.226 1.00 45.78 ? 177 LYS A O 1 ATOM 1095 C CB . LYS A 1 146 ? -10.104 -21.068 -3.822 1.00 47.34 ? 177 LYS A CB 1 ATOM 1096 C CG . LYS A 1 146 ? -10.127 -19.725 -3.075 1.00 48.92 ? 177 LYS A CG 1 ATOM 1097 C CD . LYS A 1 146 ? -11.554 -19.349 -2.594 1.00 53.23 ? 177 LYS A CD 1 ATOM 1098 C CE . LYS A 1 146 ? -11.826 -17.799 -2.677 1.00 53.51 ? 177 LYS A CE 1 ATOM 1099 N NZ . LYS A 1 146 ? -12.738 -17.219 -1.623 1.00 61.63 ? 177 LYS A NZ 1 ATOM 1100 N N . LEU A 1 147 ? -8.065 -23.069 -5.492 1.00 43.04 ? 178 LEU A N 1 ATOM 1101 C CA . LEU A 1 147 ? -7.890 -24.181 -6.414 1.00 41.04 ? 178 LEU A CA 1 ATOM 1102 C C . LEU A 1 147 ? -7.114 -25.353 -5.787 1.00 42.77 ? 178 LEU A C 1 ATOM 1103 O O . LEU A 1 147 ? -7.276 -26.516 -6.207 1.00 41.89 ? 178 LEU A O 1 ATOM 1104 C CB . LEU A 1 147 ? -7.152 -23.720 -7.656 1.00 38.70 ? 178 LEU A CB 1 ATOM 1105 C CG . LEU A 1 147 ? -7.932 -22.853 -8.630 1.00 37.17 ? 178 LEU A CG 1 ATOM 1106 C CD1 . LEU A 1 147 ? -6.981 -22.281 -9.615 1.00 31.96 ? 178 LEU A CD1 1 ATOM 1107 C CD2 . LEU A 1 147 ? -9.025 -23.668 -9.278 1.00 36.96 ? 178 LEU A CD2 1 ATOM 1108 N N . LEU A 1 148 ? -6.265 -25.036 -4.802 1.00 44.23 ? 179 LEU A N 1 ATOM 1109 C CA . LEU A 1 148 ? -5.437 -26.016 -4.117 1.00 46.21 ? 179 LEU A CA 1 ATOM 1110 C C . LEU A 1 148 ? -6.361 -27.019 -3.398 1.00 49.64 ? 179 LEU A C 1 ATOM 1111 O O . LEU A 1 148 ? -6.052 -28.207 -3.360 1.00 50.90 ? 179 LEU A O 1 ATOM 1112 C CB . LEU A 1 148 ? -4.447 -25.331 -3.099 1.00 47.89 ? 179 LEU A CB 1 ATOM 1113 C CG . LEU A 1 148 ? -3.376 -26.206 -2.389 1.00 47.81 ? 179 LEU A CG 1 ATOM 1114 C CD1 . LEU A 1 148 ? -2.310 -26.722 -3.439 1.00 44.30 ? 179 LEU A CD1 1 ATOM 1115 C CD2 . LEU A 1 148 ? -2.679 -25.607 -1.101 1.00 48.11 ? 179 LEU A CD2 1 ATOM 1116 N N . SER A 1 149 ? -7.464 -26.547 -2.806 1.00 51.62 ? 180 SER A N 1 ATOM 1117 C CA . SER A 1 149 ? -8.412 -27.406 -2.045 1.00 53.71 ? 180 SER A CA 1 ATOM 1118 C C . SER A 1 149 ? -8.989 -28.640 -2.832 1.00 54.34 ? 180 SER A C 1 ATOM 1119 O O . SER A 1 149 ? -9.274 -29.703 -2.232 1.00 54.35 ? 180 SER A O 1 ATOM 1120 C CB . SER A 1 149 ? -9.553 -26.542 -1.502 1.00 55.00 ? 180 SER A CB 1 ATOM 1121 O OG . SER A 1 149 ? -10.535 -26.283 -2.493 1.00 51.66 ? 180 SER A OG 1 ATOM 1122 N N . LEU A 1 150 ? -9.128 -28.472 -4.165 1.00 51.51 ? 181 LEU A N 1 ATOM 1123 C CA . LEU A 1 150 ? -9.602 -29.484 -5.119 1.00 52.30 ? 181 LEU A CA 1 ATOM 1124 C C . LEU A 1 150 ? -8.701 -30.708 -5.281 1.00 53.22 ? 181 LEU A C 1 ATOM 1125 O O . LEU A 1 150 ? -8.915 -31.542 -6.176 1.00 51.79 ? 181 LEU A O 1 ATOM 1126 C CB . LEU A 1 150 ? -9.654 -28.862 -6.529 1.00 49.61 ? 181 LEU A CB 1 ATOM 1127 C CG . LEU A 1 150 ? -10.744 -27.863 -6.854 1.00 50.42 ? 181 LEU A CG 1 ATOM 1128 C CD1 . LEU A 1 150 ? -10.391 -27.115 -8.137 1.00 45.22 ? 181 LEU A CD1 1 ATOM 1129 C CD2 . LEU A 1 150 ? -12.064 -28.607 -6.988 1.00 53.20 ? 181 LEU A CD2 1 ATOM 1130 N N . LYS A 1 151 ? -7.656 -30.789 -4.475 1.00 55.32 ? 182 LYS A N 1 ATOM 1131 C CA . LYS A 1 151 ? -6.678 -31.852 -4.624 1.00 56.02 ? 182 LYS A CA 1 ATOM 1132 C C . LYS A 1 151 ? -6.890 -32.933 -3.572 1.00 57.96 ? 182 LYS A C 1 ATOM 1133 O O . LYS A 1 151 ? -7.235 -32.630 -2.417 1.00 61.03 ? 182 LYS A O 1 ATOM 1134 C CB . LYS A 1 151 ? -5.253 -31.251 -4.613 1.00 55.32 ? 182 LYS A CB 1 ATOM 1135 C CG . LYS A 1 151 ? -4.097 -32.275 -4.465 1.00 58.36 ? 182 LYS A CG 1 ATOM 1136 C CD . LYS A 1 151 ? -2.951 -31.776 -3.549 1.00 56.88 ? 182 LYS A CD 1 ATOM 1137 C CE . LYS A 1 151 ? -1.847 -32.842 -3.478 1.00 58.03 ? 182 LYS A CE 1 ATOM 1138 N NZ . LYS A 1 151 ? -0.526 -32.195 -3.298 1.00 57.71 ? 182 LYS A NZ 1 ATOM 1139 N N . ASP A 1 159 ? -16.637 -34.205 -8.750 1.00 55.90 ? 190 ASP A N 1 ATOM 1140 C CA . ASP A 1 159 ? -15.681 -34.726 -9.724 1.00 53.90 ? 190 ASP A CA 1 ATOM 1141 C C . ASP A 1 159 ? -15.520 -33.831 -10.950 1.00 50.42 ? 190 ASP A C 1 ATOM 1142 O O . ASP A 1 159 ? -15.419 -34.275 -12.135 1.00 48.73 ? 190 ASP A O 1 ATOM 1143 C CB . ASP A 1 159 ? -15.988 -36.159 -10.138 1.00 55.39 ? 190 ASP A CB 1 ATOM 1144 C CG . ASP A 1 159 ? -14.722 -36.896 -10.511 1.00 58.97 ? 190 ASP A CG 1 ATOM 1145 O OD1 . ASP A 1 159 ? -14.701 -37.664 -11.525 1.00 60.46 ? 190 ASP A OD1 1 ATOM 1146 O OD2 . ASP A 1 159 ? -13.707 -36.615 -9.800 1.00 62.28 ? 190 ASP A OD2 1 ATOM 1147 N N . LEU A 1 160 ? -15.465 -32.552 -10.636 1.00 48.44 ? 191 LEU A N 1 ATOM 1148 C CA . LEU A 1 160 ? -15.393 -31.528 -11.629 1.00 45.60 ? 191 LEU A CA 1 ATOM 1149 C C . LEU A 1 160 ? -14.191 -30.687 -11.289 1.00 44.42 ? 191 LEU A C 1 ATOM 1150 O O . LEU A 1 160 ? -13.981 -30.320 -10.138 1.00 45.31 ? 191 LEU A O 1 ATOM 1151 C CB . LEU A 1 160 ? -16.681 -30.705 -11.627 1.00 45.48 ? 191 LEU A CB 1 ATOM 1152 C CG . LEU A 1 160 ? -16.709 -29.333 -12.269 1.00 41.61 ? 191 LEU A CG 1 ATOM 1153 C CD1 . LEU A 1 160 ? -16.714 -29.381 -13.841 1.00 37.45 ? 191 LEU A CD1 1 ATOM 1154 C CD2 . LEU A 1 160 ? -17.957 -28.708 -11.699 1.00 45.87 ? 191 LEU A CD2 1 ATOM 1155 N N . SER A 1 161 ? -13.386 -30.402 -12.297 1.00 42.58 ? 192 SER A N 1 ATOM 1156 C CA . SER A 1 161 ? -12.248 -29.536 -12.075 1.00 42.56 ? 192 SER A CA 1 ATOM 1157 C C . SER A 1 161 ? -12.004 -28.572 -13.226 1.00 40.62 ? 192 SER A C 1 ATOM 1158 O O . SER A 1 161 ? -12.805 -28.495 -14.203 1.00 41.10 ? 192 SER A O 1 ATOM 1159 C CB . SER A 1 161 ? -11.005 -30.375 -11.748 1.00 43.05 ? 192 SER A CB 1 ATOM 1160 O OG . SER A 1 161 ? -10.127 -29.656 -10.895 1.00 45.94 ? 192 SER A OG 1 ATOM 1161 N N . LEU A 1 162 ? -10.851 -27.889 -13.139 1.00 39.39 ? 193 LEU A N 1 ATOM 1162 C CA . LEU A 1 162 ? -10.417 -26.883 -14.110 1.00 35.08 ? 193 LEU A CA 1 ATOM 1163 C C . LEU A 1 162 ? -9.328 -27.336 -15.086 1.00 32.46 ? 193 LEU A C 1 ATOM 1164 O O . LEU A 1 162 ? -8.385 -28.010 -14.722 1.00 32.17 ? 193 LEU A O 1 ATOM 1165 C CB . LEU A 1 162 ? -9.939 -25.642 -13.331 1.00 35.51 ? 193 LEU A CB 1 ATOM 1166 C CG . LEU A 1 162 ? -9.720 -24.332 -14.124 1.00 33.70 ? 193 LEU A CG 1 ATOM 1167 C CD1 . LEU A 1 162 ? -10.951 -23.983 -14.906 1.00 28.05 ? 193 LEU A CD1 1 ATOM 1168 C CD2 . LEU A 1 162 ? -9.304 -23.159 -13.203 1.00 30.83 ? 193 LEU A CD2 1 ATOM 1169 N N . GLN A 1 163 ? -9.436 -26.941 -16.349 1.00 30.43 ? 194 GLN A N 1 ATOM 1170 C CA . GLN A 1 163 ? -8.352 -27.183 -17.274 1.00 28.17 ? 194 GLN A CA 1 ATOM 1171 C C . GLN A 1 163 ? -8.053 -25.826 -17.873 1.00 27.28 ? 194 GLN A C 1 ATOM 1172 O O . GLN A 1 163 ? -8.998 -25.070 -18.173 1.00 26.15 ? 194 GLN A O 1 ATOM 1173 C CB . GLN A 1 163 ? -8.792 -28.144 -18.366 1.00 28.21 ? 194 GLN A CB 1 ATOM 1174 C CG . GLN A 1 163 ? -7.665 -28.488 -19.396 1.00 28.23 ? 194 GLN A CG 1 ATOM 1175 C CD . GLN A 1 163 ? -8.036 -29.705 -20.244 1.00 26.68 ? 194 GLN A CD 1 ATOM 1176 O OE1 . GLN A 1 163 ? -7.402 -30.781 -20.173 1.00 25.80 ? 194 GLN A OE1 1 ATOM 1177 N NE2 . GLN A 1 163 ? -9.129 -29.570 -20.970 1.00 24.68 ? 194 GLN A NE2 1 ATOM 1178 N N . LEU A 1 164 ? -6.762 -25.502 -18.038 1.00 25.98 ? 195 LEU A N 1 ATOM 1179 C CA . LEU A 1 164 ? -6.399 -24.401 -18.960 1.00 26.29 ? 195 LEU A CA 1 ATOM 1180 C C . LEU A 1 164 ? -5.825 -24.964 -20.274 1.00 24.98 ? 195 LEU A C 1 ATOM 1181 O O . LEU A 1 164 ? -4.971 -25.871 -20.224 1.00 26.77 ? 195 LEU A O 1 ATOM 1182 C CB . LEU A 1 164 ? -5.422 -23.401 -18.279 1.00 25.57 ? 195 LEU A CB 1 ATOM 1183 C CG . LEU A 1 164 ? -5.770 -22.834 -16.910 1.00 30.75 ? 195 LEU A CG 1 ATOM 1184 C CD1 . LEU A 1 164 ? -4.542 -22.093 -16.249 1.00 26.01 ? 195 LEU A CD1 1 ATOM 1185 C CD2 . LEU A 1 164 ? -6.981 -21.907 -17.095 1.00 28.49 ? 195 LEU A CD2 1 ATOM 1186 N N . ILE A 1 165 ? -6.302 -24.482 -21.429 1.00 24.35 ? 196 ILE A N 1 ATOM 1187 C CA . ILE A 1 165 ? -5.669 -24.755 -22.719 1.00 23.54 ? 196 ILE A CA 1 ATOM 1188 C C . ILE A 1 165 ? -5.091 -23.471 -23.382 1.00 24.24 ? 196 ILE A C 1 ATOM 1189 O O . ILE A 1 165 ? -5.794 -22.480 -23.554 1.00 26.50 ? 196 ILE A O 1 ATOM 1190 C CB . ILE A 1 165 ? -6.697 -25.386 -23.741 1.00 22.96 ? 196 ILE A CB 1 ATOM 1191 C CG1 . ILE A 1 165 ? -7.268 -26.707 -23.199 1.00 23.79 ? 196 ILE A CG1 1 ATOM 1192 C CG2 . ILE A 1 165 ? -6.014 -25.656 -25.092 1.00 21.12 ? 196 ILE A CG2 1 ATOM 1193 C CD1 . ILE A 1 165 ? -8.388 -27.314 -24.024 1.00 24.08 ? 196 ILE A CD1 1 ATOM 1194 N N . PHE A 1 166 ? -3.822 -23.475 -23.759 1.00 23.84 ? 197 PHE A N 1 ATOM 1195 C CA . PHE A 1 166 ? -3.268 -22.443 -24.644 1.00 21.38 ? 197 PHE A CA 1 ATOM 1196 C C . PHE A 1 166 ? -2.955 -23.028 -25.994 1.00 22.02 ? 197 PHE A C 1 ATOM 1197 O O . PHE A 1 166 ? -1.932 -23.703 -26.171 1.00 21.93 ? 197 PHE A O 1 ATOM 1198 C CB . PHE A 1 166 ? -1.978 -21.931 -24.062 1.00 21.78 ? 197 PHE A CB 1 ATOM 1199 C CG . PHE A 1 166 ? -2.077 -21.542 -22.582 1.00 19.19 ? 197 PHE A CG 1 ATOM 1200 C CD1 . PHE A 1 166 ? -2.117 -20.207 -22.217 1.00 22.07 ? 197 PHE A CD1 1 ATOM 1201 C CD2 . PHE A 1 166 ? -2.156 -22.488 -21.594 1.00 23.22 ? 197 PHE A CD2 1 ATOM 1202 C CE1 . PHE A 1 166 ? -2.184 -19.809 -20.815 1.00 24.80 ? 197 PHE A CE1 1 ATOM 1203 C CE2 . PHE A 1 166 ? -2.222 -22.110 -20.212 1.00 23.70 ? 197 PHE A CE2 1 ATOM 1204 C CZ . PHE A 1 166 ? -2.263 -20.768 -19.857 1.00 22.36 ? 197 PHE A CZ 1 ATOM 1205 N N . PHE A 1 167 ? -3.809 -22.741 -26.950 1.00 21.77 ? 198 PHE A N 1 ATOM 1206 C CA . PHE A 1 167 ? -3.680 -23.242 -28.303 1.00 20.93 ? 198 PHE A CA 1 ATOM 1207 C C . PHE A 1 167 ? -2.575 -22.573 -29.132 1.00 22.17 ? 198 PHE A C 1 ATOM 1208 O O . PHE A 1 167 ? -2.448 -21.323 -29.169 1.00 22.34 ? 198 PHE A O 1 ATOM 1209 C CB . PHE A 1 167 ? -4.949 -22.948 -29.044 1.00 19.32 ? 198 PHE A CB 1 ATOM 1210 C CG . PHE A 1 167 ? -6.126 -23.758 -28.622 1.00 22.59 ? 198 PHE A CG 1 ATOM 1211 C CD1 . PHE A 1 167 ? -6.164 -25.150 -28.823 1.00 20.56 ? 198 PHE A CD1 1 ATOM 1212 C CD2 . PHE A 1 167 ? -7.276 -23.111 -28.131 1.00 24.73 ? 198 PHE A CD2 1 ATOM 1213 C CE1 . PHE A 1 167 ? -7.298 -25.931 -28.437 1.00 22.59 ? 198 PHE A CE1 1 ATOM 1214 C CE2 . PHE A 1 167 ? -8.432 -23.871 -27.749 1.00 25.20 ? 198 PHE A CE2 1 ATOM 1215 C CZ . PHE A 1 167 ? -8.458 -25.270 -27.914 1.00 23.66 ? 198 PHE A CZ 1 ATOM 1216 N N . ASP A 1 168 ? -1.881 -23.372 -29.944 1.00 19.78 ? 199 ASP A N 1 ATOM 1217 C CA . ASP A 1 168 ? -0.849 -22.815 -30.723 1.00 20.50 ? 199 ASP A CA 1 ATOM 1218 C C . ASP A 1 168 ? -1.453 -22.759 -32.100 1.00 18.59 ? 199 ASP A C 1 ATOM 1219 O O . ASP A 1 168 ? -2.400 -23.473 -32.350 1.00 21.07 ? 199 ASP A O 1 ATOM 1220 C CB . ASP A 1 168 ? 0.420 -23.732 -30.754 1.00 20.36 ? 199 ASP A CB 1 ATOM 1221 C CG . ASP A 1 168 ? 1.610 -23.067 -31.528 1.00 24.99 ? 199 ASP A CG 1 ATOM 1222 O OD1 . ASP A 1 168 ? 1.400 -21.982 -32.122 1.00 22.41 ? 199 ASP A OD1 1 ATOM 1223 O OD2 . ASP A 1 168 ? 2.756 -23.614 -31.516 1.00 30.20 ? 199 ASP A OD2 1 ATOM 1224 N N . GLY A 1 169 ? -0.905 -21.983 -33.028 1.00 18.40 ? 200 GLY A N 1 ATOM 1225 C CA . GLY A 1 169 ? -1.377 -22.093 -34.437 1.00 16.49 ? 200 GLY A CA 1 ATOM 1226 C C . GLY A 1 169 ? -2.860 -21.733 -34.694 1.00 19.45 ? 200 GLY A C 1 ATOM 1227 O O . GLY A 1 169 ? -3.402 -22.039 -35.779 1.00 18.24 ? 200 GLY A O 1 ATOM 1228 N N . GLU A 1 170 ? -3.534 -21.037 -33.762 1.00 19.51 ? 201 GLU A N 1 ATOM 1229 C CA . GLU A 1 170 ? -4.859 -20.411 -34.104 1.00 20.94 ? 201 GLU A CA 1 ATOM 1230 C C . GLU A 1 170 ? -4.914 -19.739 -35.475 1.00 20.69 ? 201 GLU A C 1 ATOM 1231 O O . GLU A 1 170 ? -5.841 -20.005 -36.263 1.00 23.07 ? 201 GLU A O 1 ATOM 1232 C CB . GLU A 1 170 ? -5.318 -19.398 -33.045 1.00 20.36 ? 201 GLU A CB 1 ATOM 1233 C CG . GLU A 1 170 ? -6.835 -19.049 -33.117 1.00 25.80 ? 201 GLU A CG 1 ATOM 1234 C CD . GLU A 1 170 ? -7.215 -17.907 -34.072 1.00 28.08 ? 201 GLU A CD 1 ATOM 1235 O OE1 . GLU A 1 170 ? -6.335 -17.078 -34.350 1.00 26.01 ? 201 GLU A OE1 1 ATOM 1236 O OE2 . GLU A 1 170 ? -8.417 -17.820 -34.520 1.00 33.36 ? 201 GLU A OE2 1 ATOM 1237 N N . GLU A 1 171 ? -3.950 -18.832 -35.760 1.00 20.91 ? 202 GLU A N 1 ATOM 1238 C CA . GLU A 1 171 ? -3.893 -17.999 -36.975 1.00 19.05 ? 202 GLU A CA 1 ATOM 1239 C C . GLU A 1 171 ? -3.504 -18.635 -38.289 1.00 20.72 ? 202 GLU A C 1 ATOM 1240 O O . GLU A 1 171 ? -2.614 -19.498 -38.338 1.00 22.16 ? 202 GLU A O 1 ATOM 1241 C CB . GLU A 1 171 ? -2.864 -16.852 -36.709 1.00 20.22 ? 202 GLU A CB 1 ATOM 1242 C CG . GLU A 1 171 ? -3.193 -16.025 -35.355 1.00 16.66 ? 202 GLU A CG 1 ATOM 1243 C CD . GLU A 1 171 ? -4.320 -14.949 -35.606 1.00 18.57 ? 202 GLU A CD 1 ATOM 1244 O OE1 . GLU A 1 171 ? -4.892 -14.919 -36.760 1.00 17.94 ? 202 GLU A OE1 1 ATOM 1245 O OE2 . GLU A 1 171 ? -4.541 -14.065 -34.745 1.00 17.48 ? 202 GLU A OE2 1 ATOM 1246 N N . ALA A 1 172 ? -4.046 -18.115 -39.373 1.00 21.72 ? 203 ALA A N 1 ATOM 1247 C CA . ALA A 1 172 ? -3.561 -18.417 -40.729 1.00 25.08 ? 203 ALA A CA 1 ATOM 1248 C C . ALA A 1 172 ? -2.119 -17.950 -40.894 1.00 27.38 ? 203 ALA A C 1 ATOM 1249 O O . ALA A 1 172 ? -1.737 -16.906 -40.364 1.00 30.95 ? 203 ALA A O 1 ATOM 1250 C CB . ALA A 1 172 ? -4.396 -17.758 -41.751 1.00 23.07 ? 203 ALA A CB 1 ATOM 1251 N N . PHE A 1 173 ? -1.316 -18.746 -41.578 1.00 28.47 ? 204 PHE A N 1 ATOM 1252 C CA . PHE A 1 173 ? 0.027 -18.355 -41.897 1.00 29.53 ? 204 PHE A CA 1 ATOM 1253 C C . PHE A 1 173 ? -0.072 -17.449 -43.103 1.00 30.17 ? 204 PHE A C 1 ATOM 1254 O O . PHE A 1 173 ? 0.741 -16.540 -43.245 1.00 31.37 ? 204 PHE A O 1 ATOM 1255 C CB . PHE A 1 173 ? 0.981 -19.559 -42.174 1.00 28.34 ? 204 PHE A CB 1 ATOM 1256 C CG . PHE A 1 173 ? 1.782 -19.963 -40.981 1.00 31.58 ? 204 PHE A CG 1 ATOM 1257 C CD1 . PHE A 1 173 ? 1.338 -21.013 -40.146 1.00 30.59 ? 204 PHE A CD1 1 ATOM 1258 C CD2 . PHE A 1 173 ? 2.965 -19.268 -40.628 1.00 28.36 ? 204 PHE A CD2 1 ATOM 1259 C CE1 . PHE A 1 173 ? 2.039 -21.364 -39.046 1.00 26.76 ? 204 PHE A CE1 1 ATOM 1260 C CE2 . PHE A 1 173 ? 3.665 -19.641 -39.476 1.00 29.79 ? 204 PHE A CE2 1 ATOM 1261 C CZ . PHE A 1 173 ? 3.205 -20.668 -38.692 1.00 31.72 ? 204 PHE A CZ 1 ATOM 1262 N N . LEU A 1 174 ? -1.058 -17.674 -43.968 1.00 29.32 ? 205 LEU A N 1 ATOM 1263 C CA . LEU A 1 174 ? -1.125 -16.902 -45.214 1.00 30.23 ? 205 LEU A CA 1 ATOM 1264 C C . LEU A 1 174 ? -2.488 -16.229 -45.524 1.00 30.56 ? 205 LEU A C 1 ATOM 1265 O O . LEU A 1 174 ? -2.530 -15.062 -45.896 1.00 32.15 ? 205 LEU A O 1 ATOM 1266 C CB . LEU A 1 174 ? -0.664 -17.744 -46.392 1.00 30.04 ? 205 LEU A CB 1 ATOM 1267 C CG . LEU A 1 174 ? -0.790 -17.133 -47.798 1.00 32.79 ? 205 LEU A CG 1 ATOM 1268 C CD1 . LEU A 1 174 ? 0.063 -15.869 -48.014 1.00 36.28 ? 205 LEU A CD1 1 ATOM 1269 C CD2 . LEU A 1 174 ? -0.336 -18.125 -48.787 1.00 36.19 ? 205 LEU A CD2 1 ATOM 1270 N N . HIS A 1 175 ? -3.577 -16.975 -45.391 1.00 29.82 ? 206 HIS A N 1 ATOM 1271 C CA . HIS A 1 175 ? -4.871 -16.561 -45.822 1.00 32.60 ? 206 HIS A CA 1 ATOM 1272 C C . HIS A 1 175 ? -5.784 -17.575 -45.163 1.00 32.87 ? 206 HIS A C 1 ATOM 1273 O O . HIS A 1 175 ? -5.641 -18.788 -45.393 1.00 31.83 ? 206 HIS A O 1 ATOM 1274 C CB . HIS A 1 175 ? -4.980 -16.661 -47.360 1.00 32.91 ? 206 HIS A CB 1 ATOM 1275 C CG . HIS A 1 175 ? -6.262 -16.121 -47.916 1.00 37.84 ? 206 HIS A CG 1 ATOM 1276 N ND1 . HIS A 1 175 ? -7.490 -16.352 -47.332 1.00 39.56 ? 206 HIS A ND1 1 ATOM 1277 C CD2 . HIS A 1 175 ? -6.513 -15.396 -49.038 1.00 38.94 ? 206 HIS A CD2 1 ATOM 1278 C CE1 . HIS A 1 175 ? -8.435 -15.784 -48.053 1.00 34.89 ? 206 HIS A CE1 1 ATOM 1279 N NE2 . HIS A 1 175 ? -7.867 -15.178 -49.080 1.00 41.04 ? 206 HIS A NE2 1 ATOM 1280 N N . TRP A 1 176 ? -6.720 -17.071 -44.350 1.00 33.41 ? 207 TRP A N 1 ATOM 1281 C CA . TRP A 1 176 ? -7.432 -17.884 -43.421 1.00 32.28 ? 207 TRP A CA 1 ATOM 1282 C C . TRP A 1 176 ? -8.358 -18.832 -44.131 1.00 34.18 ? 207 TRP A C 1 ATOM 1283 O O . TRP A 1 176 ? -9.333 -18.409 -44.718 1.00 36.53 ? 207 TRP A O 1 ATOM 1284 C CB . TRP A 1 176 ? -8.273 -17.014 -42.520 1.00 31.46 ? 207 TRP A CB 1 ATOM 1285 C CG . TRP A 1 176 ? -9.072 -17.818 -41.570 1.00 28.12 ? 207 TRP A CG 1 ATOM 1286 C CD1 . TRP A 1 176 ? -10.070 -18.696 -41.886 1.00 23.95 ? 207 TRP A CD1 1 ATOM 1287 C CD2 . TRP A 1 176 ? -8.958 -17.828 -40.112 1.00 20.60 ? 207 TRP A CD2 1 ATOM 1288 N NE1 . TRP A 1 176 ? -10.557 -19.277 -40.688 1.00 24.14 ? 207 TRP A NE1 1 ATOM 1289 C CE2 . TRP A 1 176 ? -9.919 -18.726 -39.616 1.00 20.26 ? 207 TRP A CE2 1 ATOM 1290 C CE3 . TRP A 1 176 ? -8.132 -17.178 -39.202 1.00 25.57 ? 207 TRP A CE3 1 ATOM 1291 C CZ2 . TRP A 1 176 ? -10.085 -18.983 -38.219 1.00 19.45 ? 207 TRP A CZ2 1 ATOM 1292 C CZ3 . TRP A 1 176 ? -8.311 -17.420 -37.786 1.00 21.76 ? 207 TRP A CZ3 1 ATOM 1293 C CH2 . TRP A 1 176 ? -9.274 -18.317 -37.340 1.00 20.14 ? 207 TRP A CH2 1 ATOM 1294 N N . SER A 1 177 ? -8.059 -20.119 -44.070 1.00 33.34 ? 208 SER A N 1 ATOM 1295 C CA . SER A 1 177 ? -8.946 -21.107 -44.685 1.00 34.86 ? 208 SER A CA 1 ATOM 1296 C C . SER A 1 177 ? -9.137 -22.286 -43.740 1.00 33.61 ? 208 SER A C 1 ATOM 1297 O O . SER A 1 177 ? -8.548 -22.281 -42.574 1.00 32.04 ? 208 SER A O 1 ATOM 1298 C CB . SER A 1 177 ? -8.512 -21.479 -46.151 1.00 35.63 ? 208 SER A CB 1 ATOM 1299 O OG . SER A 1 177 ? -7.322 -22.284 -46.128 1.00 38.82 ? 208 SER A OG 1 ATOM 1300 N N . PRO A 1 178 ? -10.045 -23.235 -44.130 1.00 33.83 ? 209 PRO A N 1 ATOM 1301 C CA . PRO A 1 178 ? -10.216 -24.413 -43.271 1.00 33.71 ? 209 PRO A CA 1 ATOM 1302 C C . PRO A 1 178 ? -8.887 -25.090 -42.920 1.00 31.55 ? 209 PRO A C 1 ATOM 1303 O O . PRO A 1 178 ? -8.698 -25.433 -41.783 1.00 28.95 ? 209 PRO A O 1 ATOM 1304 C CB . PRO A 1 178 ? -11.162 -25.308 -44.086 1.00 34.56 ? 209 PRO A CB 1 ATOM 1305 C CG . PRO A 1 178 ? -12.077 -24.273 -44.748 1.00 37.46 ? 209 PRO A CG 1 ATOM 1306 C CD . PRO A 1 178 ? -11.090 -23.184 -45.183 1.00 37.24 ? 209 PRO A CD 1 ATOM 1307 N N . GLN A 1 179 ? -7.955 -25.155 -43.874 1.00 32.02 ? 210 GLN A N 1 ATOM 1308 C CA . GLN A 1 179 ? -6.660 -25.834 -43.673 1.00 31.28 ? 210 GLN A CA 1 ATOM 1309 C C . GLN A 1 179 ? -5.561 -24.913 -43.233 1.00 30.25 ? 210 GLN A C 1 ATOM 1310 O O . GLN A 1 179 ? -4.566 -25.354 -42.633 1.00 31.19 ? 210 GLN A O 1 ATOM 1311 C CB . GLN A 1 179 ? -6.202 -26.538 -44.944 1.00 33.88 ? 210 GLN A CB 1 ATOM 1312 C CG . GLN A 1 179 ? -7.276 -27.431 -45.543 1.00 36.08 ? 210 GLN A CG 1 ATOM 1313 C CD . GLN A 1 179 ? -6.910 -27.845 -46.929 1.00 42.28 ? 210 GLN A CD 1 ATOM 1314 O OE1 . GLN A 1 179 ? -6.016 -28.685 -47.114 1.00 44.90 ? 210 GLN A OE1 1 ATOM 1315 N NE2 . GLN A 1 179 ? -7.616 -27.301 -47.927 1.00 44.60 ? 210 GLN A NE2 1 ATOM 1316 N N . ASP A 1 180 ? -5.752 -23.626 -43.433 1.00 28.66 ? 211 ASP A N 1 ATOM 1317 C CA . ASP A 1 180 ? -4.757 -22.648 -42.977 1.00 26.24 ? 211 ASP A CA 1 ATOM 1318 C C . ASP A 1 180 ? -5.396 -21.818 -41.888 1.00 25.25 ? 211 ASP A C 1 ATOM 1319 O O . ASP A 1 180 ? -5.881 -20.694 -42.152 1.00 26.49 ? 211 ASP A O 1 ATOM 1320 C CB . ASP A 1 180 ? -4.235 -21.779 -44.174 1.00 27.83 ? 211 ASP A CB 1 ATOM 1321 C CG . ASP A 1 180 ? -3.084 -20.839 -43.745 1.00 29.47 ? 211 ASP A CG 1 ATOM 1322 O OD1 . ASP A 1 180 ? -2.773 -19.977 -44.540 1.00 24.66 ? 211 ASP A OD1 1 ATOM 1323 O OD2 . ASP A 1 180 ? -2.530 -20.951 -42.603 1.00 23.85 ? 211 ASP A OD2 1 ATOM 1324 N N . SER A 1 181 ? -5.436 -22.406 -40.679 1.00 23.24 ? 212 SER A N 1 ATOM 1325 C CA . SER A 1 181 ? -5.899 -21.790 -39.425 1.00 22.22 ? 212 SER A CA 1 ATOM 1326 C C . SER A 1 181 ? -6.157 -22.855 -38.440 1.00 20.40 ? 212 SER A C 1 ATOM 1327 O O . SER A 1 181 ? -6.264 -23.986 -38.779 1.00 20.42 ? 212 SER A O 1 ATOM 1328 C CB . SER A 1 181 ? -7.201 -20.944 -39.585 1.00 24.20 ? 212 SER A CB 1 ATOM 1329 O OG . SER A 1 181 ? -8.354 -21.673 -40.114 1.00 25.39 ? 212 SER A OG 1 ATOM 1330 N N . LEU A 1 182 ? -6.231 -22.494 -37.147 1.00 21.92 ? 213 LEU A N 1 ATOM 1331 C CA . LEU A 1 182 ? -6.671 -23.396 -36.127 1.00 21.32 ? 213 LEU A CA 1 ATOM 1332 C C . LEU A 1 182 ? -5.928 -24.725 -36.088 1.00 22.13 ? 213 LEU A C 1 ATOM 1333 O O . LEU A 1 182 ? -6.551 -25.783 -35.789 1.00 24.60 ? 213 LEU A O 1 ATOM 1334 C CB . LEU A 1 182 ? -8.177 -23.713 -36.309 1.00 23.87 ? 213 LEU A CB 1 ATOM 1335 C CG . LEU A 1 182 ? -9.164 -22.547 -36.544 1.00 24.28 ? 213 LEU A CG 1 ATOM 1336 C CD1 . LEU A 1 182 ? -10.625 -23.070 -36.802 1.00 26.03 ? 213 LEU A CD1 1 ATOM 1337 C CD2 . LEU A 1 182 ? -9.110 -21.584 -35.361 1.00 18.60 ? 213 LEU A CD2 1 ATOM 1338 N N . TYR A 1 183 ? -4.629 -24.710 -36.354 1.00 19.59 ? 214 TYR A N 1 ATOM 1339 C CA . TYR A 1 183 ? -3.821 -25.967 -36.474 1.00 20.33 ? 214 TYR A CA 1 ATOM 1340 C C . TYR A 1 183 ? -3.908 -26.605 -35.071 1.00 21.43 ? 214 TYR A C 1 ATOM 1341 O O . TYR A 1 183 ? -4.250 -27.783 -34.914 1.00 23.52 ? 214 TYR A O 1 ATOM 1342 C CB . TYR A 1 183 ? -2.361 -25.603 -36.844 1.00 16.82 ? 214 TYR A CB 1 ATOM 1343 C CG . TYR A 1 183 ? -2.172 -25.044 -38.282 1.00 19.77 ? 214 TYR A CG 1 ATOM 1344 C CD1 . TYR A 1 183 ? -1.910 -25.897 -39.342 1.00 17.62 ? 214 TYR A CD1 1 ATOM 1345 C CD2 . TYR A 1 183 ? -2.204 -23.673 -38.551 1.00 17.88 ? 214 TYR A CD2 1 ATOM 1346 C CE1 . TYR A 1 183 ? -1.740 -25.359 -40.768 1.00 22.19 ? 214 TYR A CE1 1 ATOM 1347 C CE2 . TYR A 1 183 ? -2.048 -23.155 -39.936 1.00 19.12 ? 214 TYR A CE2 1 ATOM 1348 C CZ . TYR A 1 183 ? -1.768 -24.001 -40.982 1.00 18.42 ? 214 TYR A CZ 1 ATOM 1349 O OH . TYR A 1 183 ? -1.602 -23.513 -42.285 1.00 26.12 ? 214 TYR A OH 1 ATOM 1350 N N . GLY A 1 184 ? -3.630 -25.791 -34.068 1.00 20.89 ? 215 GLY A N 1 ATOM 1351 C CA . GLY A 1 184 ? -3.536 -26.238 -32.597 1.00 20.14 ? 215 GLY A CA 1 ATOM 1352 C C . GLY A 1 184 ? -4.855 -26.900 -32.223 1.00 21.77 ? 215 GLY A C 1 ATOM 1353 O O . GLY A 1 184 ? -4.890 -28.089 -31.885 1.00 21.45 ? 215 GLY A O 1 ATOM 1354 N N . SER A 1 185 ? -5.960 -26.134 -32.327 1.00 22.18 ? 216 SER A N 1 ATOM 1355 C CA . SER A 1 185 ? -7.222 -26.546 -31.778 1.00 22.45 ? 216 SER A CA 1 ATOM 1356 C C . SER A 1 185 ? -7.804 -27.738 -32.494 1.00 22.79 ? 216 SER A C 1 ATOM 1357 O O . SER A 1 185 ? -8.306 -28.635 -31.824 1.00 23.12 ? 216 SER A O 1 ATOM 1358 C CB . SER A 1 185 ? -8.222 -25.372 -31.714 1.00 22.75 ? 216 SER A CB 1 ATOM 1359 O OG . SER A 1 185 ? -8.442 -24.780 -32.984 1.00 21.90 ? 216 SER A OG 1 ATOM 1360 N N . ARG A 1 186 ? -7.714 -27.747 -33.824 1.00 20.71 ? 217 ARG A N 1 ATOM 1361 C CA . ARG A 1 186 ? -8.176 -28.849 -34.620 1.00 22.07 ? 217 ARG A CA 1 ATOM 1362 C C . ARG A 1 186 ? -7.418 -30.156 -34.363 1.00 21.50 ? 217 ARG A C 1 ATOM 1363 O O . ARG A 1 186 ? -7.994 -31.245 -34.338 1.00 21.27 ? 217 ARG A O 1 ATOM 1364 C CB . ARG A 1 186 ? -8.015 -28.526 -36.141 1.00 21.57 ? 217 ARG A CB 1 ATOM 1365 C CG . ARG A 1 186 ? -9.004 -27.460 -36.692 1.00 26.43 ? 217 ARG A CG 1 ATOM 1366 C CD . ARG A 1 186 ? -8.863 -27.217 -38.218 1.00 29.75 ? 217 ARG A CD 1 ATOM 1367 N NE . ARG A 1 186 ? -7.548 -26.675 -38.623 1.00 33.09 ? 217 ARG A NE 1 ATOM 1368 C CZ . ARG A 1 186 ? -6.627 -27.370 -39.309 1.00 32.16 ? 217 ARG A CZ 1 ATOM 1369 N NH1 . ARG A 1 186 ? -6.862 -28.622 -39.656 1.00 30.81 ? 217 ARG A NH1 1 ATOM 1370 N NH2 . ARG A 1 186 ? -5.464 -26.831 -39.642 1.00 28.71 ? 217 ARG A NH2 1 ATOM 1371 N N . HIS A 1 187 ? -6.104 -30.062 -34.236 1.00 20.91 ? 218 HIS A N 1 ATOM 1372 C CA . HIS A 1 187 ? -5.336 -31.220 -33.810 1.00 21.28 ? 218 HIS A CA 1 ATOM 1373 C C . HIS A 1 187 ? -5.756 -31.628 -32.384 1.00 21.12 ? 218 HIS A C 1 ATOM 1374 O O . HIS A 1 187 ? -5.788 -32.812 -32.042 1.00 22.59 ? 218 HIS A O 1 ATOM 1375 C CB . HIS A 1 187 ? -3.838 -30.860 -33.770 1.00 20.00 ? 218 HIS A CB 1 ATOM 1376 C CG . HIS A 1 187 ? -2.968 -31.958 -33.236 1.00 19.95 ? 218 HIS A CG 1 ATOM 1377 N ND1 . HIS A 1 187 ? -2.679 -32.098 -31.865 1.00 19.90 ? 218 HIS A ND1 1 ATOM 1378 C CD2 . HIS A 1 187 ? -2.368 -32.988 -33.871 1.00 18.46 ? 218 HIS A CD2 1 ATOM 1379 C CE1 . HIS A 1 187 ? -1.899 -33.164 -31.715 1.00 18.88 ? 218 HIS A CE1 1 ATOM 1380 N NE2 . HIS A 1 187 ? -1.697 -33.719 -32.909 1.00 21.84 ? 218 HIS A NE2 1 ATOM 1381 N N . LEU A 1 188 ? -6.047 -30.681 -31.537 1.00 20.19 ? 219 LEU A N 1 ATOM 1382 C CA . LEU A 1 188 ? -6.271 -31.140 -30.097 1.00 19.41 ? 219 LEU A CA 1 ATOM 1383 C C . LEU A 1 188 ? -7.731 -31.700 -29.865 1.00 23.45 ? 219 LEU A C 1 ATOM 1384 O O . LEU A 1 188 ? -7.957 -32.640 -29.086 1.00 26.46 ? 219 LEU A O 1 ATOM 1385 C CB . LEU A 1 188 ? -6.111 -30.026 -29.203 1.00 17.28 ? 219 LEU A CB 1 ATOM 1386 C CG . LEU A 1 188 ? -6.309 -30.419 -27.670 1.00 17.84 ? 219 LEU A CG 1 ATOM 1387 C CD1 . LEU A 1 188 ? -5.362 -31.470 -27.208 1.00 18.32 ? 219 LEU A CD1 1 ATOM 1388 C CD2 . LEU A 1 188 ? -6.021 -29.212 -27.030 1.00 17.43 ? 219 LEU A CD2 1 ATOM 1389 N N . ALA A 1 189 ? -8.720 -31.072 -30.505 1.00 24.12 ? 220 ALA A N 1 ATOM 1390 C CA . ALA A 1 189 ? -10.094 -31.519 -30.415 1.00 24.95 ? 220 ALA A CA 1 ATOM 1391 C C . ALA A 1 189 ? -10.132 -32.990 -30.898 1.00 25.34 ? 220 ALA A C 1 ATOM 1392 O O . ALA A 1 189 ? -10.738 -33.831 -30.252 1.00 27.35 ? 220 ALA A O 1 ATOM 1393 C CB . ALA A 1 189 ? -10.987 -30.660 -31.314 1.00 25.06 ? 220 ALA A CB 1 ATOM 1394 N N . ALA A 1 190 ? -9.451 -33.288 -32.001 1.00 23.16 ? 221 ALA A N 1 ATOM 1395 C CA . ALA A 1 190 ? -9.320 -34.661 -32.484 1.00 24.72 ? 221 ALA A CA 1 ATOM 1396 C C . ALA A 1 190 ? -8.541 -35.622 -31.574 1.00 24.41 ? 221 ALA A C 1 ATOM 1397 O O . ALA A 1 190 ? -8.937 -36.782 -31.388 1.00 24.47 ? 221 ALA A O 1 ATOM 1398 C CB . ALA A 1 190 ? -8.747 -34.691 -33.998 1.00 24.20 ? 221 ALA A CB 1 ATOM 1399 N N . LYS A 1 191 ? -7.439 -35.153 -31.010 1.00 24.04 ? 222 LYS A N 1 ATOM 1400 C CA . LYS A 1 191 ? -6.704 -35.962 -30.025 1.00 26.36 ? 222 LYS A CA 1 ATOM 1401 C C . LYS A 1 191 ? -7.698 -36.322 -28.951 1.00 24.91 ? 222 LYS A C 1 ATOM 1402 O O . LYS A 1 191 ? -7.878 -37.487 -28.650 1.00 25.98 ? 222 LYS A O 1 ATOM 1403 C CB . LYS A 1 191 ? -5.516 -35.229 -29.350 1.00 26.90 ? 222 LYS A CB 1 ATOM 1404 C CG . LYS A 1 191 ? -4.524 -36.148 -28.646 1.00 28.73 ? 222 LYS A CG 1 ATOM 1405 C CD . LYS A 1 191 ? -3.720 -35.423 -27.545 1.00 31.02 ? 222 LYS A CD 1 ATOM 1406 C CE . LYS A 1 191 ? -4.621 -35.276 -26.265 1.00 38.43 ? 222 LYS A CE 1 ATOM 1407 N NZ . LYS A 1 191 ? -3.969 -35.722 -24.988 1.00 34.17 ? 222 LYS A NZ 1 ATOM 1408 N N . MET A 1 192 ? -8.390 -35.318 -28.457 1.00 24.82 ? 223 MET A N 1 ATOM 1409 C CA . MET A 1 192 ? -9.276 -35.466 -27.259 1.00 23.72 ? 223 MET A CA 1 ATOM 1410 C C . MET A 1 192 ? -10.525 -36.359 -27.555 1.00 24.82 ? 223 MET A C 1 ATOM 1411 O O . MET A 1 192 ? -11.111 -36.980 -26.643 1.00 26.25 ? 223 MET A O 1 ATOM 1412 C CB . MET A 1 192 ? -9.734 -34.093 -26.849 1.00 22.08 ? 223 MET A CB 1 ATOM 1413 C CG . MET A 1 192 ? -8.615 -33.279 -26.139 1.00 26.56 ? 223 MET A CG 1 ATOM 1414 S SD . MET A 1 192 ? -9.193 -31.731 -25.350 1.00 26.33 ? 223 MET A SD 1 ATOM 1415 C CE . MET A 1 192 ? -9.480 -32.181 -23.634 1.00 23.87 ? 223 MET A CE 1 ATOM 1416 N N . ALA A 1 193 ? -10.886 -36.428 -28.845 1.00 23.14 ? 224 ALA A N 1 ATOM 1417 C CA . ALA A 1 193 ? -12.084 -37.075 -29.317 1.00 24.33 ? 224 ALA A CA 1 ATOM 1418 C C . ALA A 1 193 ? -11.810 -38.567 -29.425 1.00 25.47 ? 224 ALA A C 1 ATOM 1419 O O . ALA A 1 193 ? -12.745 -39.411 -29.415 1.00 26.57 ? 224 ALA A O 1 ATOM 1420 C CB . ALA A 1 193 ? -12.493 -36.499 -30.757 1.00 23.77 ? 224 ALA A CB 1 ATOM 1421 N N . SER A 1 194 ? -10.520 -38.910 -29.521 1.00 25.22 ? 225 SER A N 1 ATOM 1422 C CA . SER A 1 194 ? -10.153 -40.314 -29.659 1.00 26.96 ? 225 SER A CA 1 ATOM 1423 C C . SER A 1 194 ? -9.399 -40.805 -28.490 1.00 27.80 ? 225 SER A C 1 ATOM 1424 O O . SER A 1 194 ? -8.824 -41.889 -28.552 1.00 30.62 ? 225 SER A O 1 ATOM 1425 C CB . SER A 1 194 ? -9.386 -40.609 -30.930 1.00 25.82 ? 225 SER A CB 1 ATOM 1426 O OG . SER A 1 194 ? -8.463 -39.573 -31.192 1.00 28.35 ? 225 SER A OG 1 ATOM 1427 N N . THR A 1 195 ? -9.478 -40.097 -27.379 1.00 28.05 ? 226 THR A N 1 ATOM 1428 C CA . THR A 1 195 ? -8.752 -40.513 -26.227 1.00 28.83 ? 226 THR A CA 1 ATOM 1429 C C . THR A 1 195 ? -9.745 -40.815 -25.174 1.00 31.88 ? 226 THR A C 1 ATOM 1430 O O . THR A 1 195 ? -10.484 -39.923 -24.792 1.00 31.86 ? 226 THR A O 1 ATOM 1431 C CB . THR A 1 195 ? -7.842 -39.397 -25.734 1.00 28.25 ? 226 THR A CB 1 ATOM 1432 O OG1 . THR A 1 195 ? -6.942 -39.101 -26.774 1.00 24.50 ? 226 THR A OG1 1 ATOM 1433 C CG2 . THR A 1 195 ? -7.029 -39.779 -24.484 1.00 26.24 ? 226 THR A CG2 1 ATOM 1434 N N . PRO A 1 196 ? -9.777 -42.067 -24.704 1.00 34.96 ? 227 PRO A N 1 ATOM 1435 C CA . PRO A 1 196 ? -10.715 -42.517 -23.671 1.00 37.50 ? 227 PRO A CA 1 ATOM 1436 C C . PRO A 1 196 ? -10.568 -41.695 -22.408 1.00 38.71 ? 227 PRO A C 1 ATOM 1437 O O . PRO A 1 196 ? -9.452 -41.289 -22.095 1.00 37.94 ? 227 PRO A O 1 ATOM 1438 C CB . PRO A 1 196 ? -10.298 -43.983 -23.445 1.00 39.16 ? 227 PRO A CB 1 ATOM 1439 C CG . PRO A 1 196 ? -9.785 -44.415 -24.817 1.00 38.77 ? 227 PRO A CG 1 ATOM 1440 C CD . PRO A 1 196 ? -8.984 -43.191 -25.247 1.00 36.49 ? 227 PRO A CD 1 ATOM 1441 N N . HIS A 1 197 ? -11.692 -41.429 -21.731 1.00 40.48 ? 228 HIS A N 1 ATOM 1442 C CA . HIS A 1 197 ? -11.739 -40.610 -20.538 1.00 41.86 ? 228 HIS A CA 1 ATOM 1443 C C . HIS A 1 197 ? -13.012 -40.928 -19.747 1.00 44.50 ? 228 HIS A C 1 ATOM 1444 O O . HIS A 1 197 ? -14.089 -41.047 -20.355 1.00 44.29 ? 228 HIS A O 1 ATOM 1445 C CB . HIS A 1 197 ? -11.699 -39.083 -20.821 1.00 40.56 ? 228 HIS A CB 1 ATOM 1446 C CG . HIS A 1 197 ? -11.461 -38.263 -19.581 1.00 42.33 ? 228 HIS A CG 1 ATOM 1447 N ND1 . HIS A 1 197 ? -10.249 -38.261 -18.917 1.00 44.87 ? 228 HIS A ND1 1 ATOM 1448 C CD2 . HIS A 1 197 ? -12.302 -37.535 -18.810 1.00 41.77 ? 228 HIS A CD2 1 ATOM 1449 C CE1 . HIS A 1 197 ? -10.334 -37.520 -17.829 1.00 39.27 ? 228 HIS A CE1 1 ATOM 1450 N NE2 . HIS A 1 197 ? -11.568 -37.062 -17.744 1.00 42.90 ? 228 HIS A NE2 1 ATOM 1451 N N . PRO A 1 198 ? -12.883 -41.086 -18.403 1.00 46.16 ? 229 PRO A N 1 ATOM 1452 C CA . PRO A 1 198 ? -11.609 -41.209 -17.648 1.00 47.63 ? 229 PRO A CA 1 ATOM 1453 C C . PRO A 1 198 ? -10.736 -42.376 -18.110 1.00 49.76 ? 229 PRO A C 1 ATOM 1454 O O . PRO A 1 198 ? -11.246 -43.281 -18.780 1.00 49.99 ? 229 PRO A O 1 ATOM 1455 C CB . PRO A 1 198 ? -12.069 -41.479 -16.204 1.00 49.14 ? 229 PRO A CB 1 ATOM 1456 C CG . PRO A 1 198 ? -13.390 -40.784 -16.120 1.00 49.22 ? 229 PRO A CG 1 ATOM 1457 C CD . PRO A 1 198 ? -14.028 -40.834 -17.506 1.00 47.55 ? 229 PRO A CD 1 ATOM 1458 N N . PRO A 1 199 ? -9.426 -42.376 -17.748 1.00 51.48 ? 230 PRO A N 1 ATOM 1459 C CA . PRO A 1 199 ? -8.560 -43.467 -18.242 1.00 52.18 ? 230 PRO A CA 1 ATOM 1460 C C . PRO A 1 199 ? -9.082 -44.852 -17.913 1.00 54.01 ? 230 PRO A C 1 ATOM 1461 O O . PRO A 1 199 ? -9.506 -45.117 -16.776 1.00 54.58 ? 230 PRO A O 1 ATOM 1462 C CB . PRO A 1 199 ? -7.211 -43.173 -17.574 1.00 52.80 ? 230 PRO A CB 1 ATOM 1463 C CG . PRO A 1 199 ? -7.175 -41.634 -17.610 1.00 51.15 ? 230 PRO A CG 1 ATOM 1464 C CD . PRO A 1 199 ? -8.614 -41.300 -17.132 1.00 51.37 ? 230 PRO A CD 1 ATOM 1465 N N . GLY A 1 200 ? -9.083 -45.697 -18.944 1.00 53.26 ? 231 GLY A N 1 ATOM 1466 C CA . GLY A 1 200 ? -9.650 -47.023 -18.854 1.00 55.92 ? 231 GLY A CA 1 ATOM 1467 C C . GLY A 1 200 ? -11.158 -47.025 -18.795 1.00 56.63 ? 231 GLY A C 1 ATOM 1468 O O . GLY A 1 200 ? -11.747 -47.874 -18.139 1.00 60.30 ? 231 GLY A O 1 ATOM 1469 N N . ALA A 1 201 ? -11.800 -46.067 -19.447 1.00 55.58 ? 232 ALA A N 1 ATOM 1470 C CA . ALA A 1 201 ? -13.249 -46.147 -19.646 1.00 56.14 ? 232 ALA A CA 1 ATOM 1471 C C . ALA A 1 201 ? -13.584 -46.468 -21.106 1.00 55.44 ? 232 ALA A C 1 ATOM 1472 O O . ALA A 1 201 ? -12.752 -46.322 -22.003 1.00 53.05 ? 232 ALA A O 1 ATOM 1473 C CB . ALA A 1 201 ? -13.963 -44.877 -19.159 1.00 55.66 ? 232 ALA A CB 1 ATOM 1474 N N . ARG A 1 202 ? -14.808 -46.961 -21.293 1.00 57.23 ? 233 ARG A N 1 ATOM 1475 C CA . ARG A 1 202 ? -15.345 -47.391 -22.578 1.00 57.40 ? 233 ARG A CA 1 ATOM 1476 C C . ARG A 1 202 ? -16.465 -46.461 -23.095 1.00 56.08 ? 233 ARG A C 1 ATOM 1477 O O . ARG A 1 202 ? -17.408 -46.160 -22.364 1.00 57.01 ? 233 ARG A O 1 ATOM 1478 C CB . ARG A 1 202 ? -15.861 -48.848 -22.502 1.00 60.41 ? 233 ARG A CB 1 ATOM 1479 C CG . ARG A 1 202 ? -16.586 -49.239 -21.184 1.00 65.15 ? 233 ARG A CG 1 ATOM 1480 C CD . ARG A 1 202 ? -17.869 -50.088 -21.400 1.00 71.30 ? 233 ARG A CD 1 ATOM 1481 N NE . ARG A 1 202 ? -17.780 -50.985 -22.563 1.00 74.70 ? 233 ARG A NE 1 ATOM 1482 C CZ . ARG A 1 202 ? -17.584 -52.298 -22.505 1.00 77.38 ? 233 ARG A CZ 1 ATOM 1483 N NH1 . ARG A 1 202 ? -17.453 -52.913 -21.332 1.00 79.09 ? 233 ARG A NH1 1 ATOM 1484 N NH2 . ARG A 1 202 ? -17.516 -52.996 -23.630 1.00 78.73 ? 233 ARG A NH2 1 ATOM 1485 N N . GLY A 1 203 ? -16.356 -46.032 -24.359 1.00 53.72 ? 234 GLY A N 1 ATOM 1486 C CA . GLY A 1 203 ? -17.413 -45.280 -25.021 1.00 52.24 ? 234 GLY A CA 1 ATOM 1487 C C . GLY A 1 203 ? -17.262 -43.768 -24.966 1.00 50.01 ? 234 GLY A C 1 ATOM 1488 O O . GLY A 1 203 ? -17.702 -43.088 -25.899 1.00 49.56 ? 234 GLY A O 1 ATOM 1489 N N . THR A 1 204 ? -16.615 -43.259 -23.905 1.00 48.02 ? 235 THR A N 1 ATOM 1490 C CA . THR A 1 204 ? -16.502 -41.823 -23.604 1.00 45.39 ? 235 THR A CA 1 ATOM 1491 C C . THR A 1 204 ? -15.066 -41.241 -23.702 1.00 42.40 ? 235 THR A C 1 ATOM 1492 O O . THR A 1 204 ? -14.117 -41.789 -23.157 1.00 42.85 ? 235 THR A O 1 ATOM 1493 C CB . THR A 1 204 ? -17.070 -41.516 -22.197 1.00 46.29 ? 235 THR A CB 1 ATOM 1494 O OG1 . THR A 1 204 ? -16.339 -42.276 -21.231 1.00 47.89 ? 235 THR A OG1 1 ATOM 1495 C CG2 . THR A 1 204 ? -18.550 -41.895 -22.112 1.00 47.92 ? 235 THR A CG2 1 ATOM 1496 N N . SER A 1 205 ? -14.926 -40.109 -24.374 1.00 39.52 ? 236 SER A N 1 ATOM 1497 C CA . SER A 1 205 ? -13.613 -39.574 -24.723 1.00 36.59 ? 236 SER A CA 1 ATOM 1498 C C . SER A 1 205 ? -13.321 -38.378 -23.858 1.00 35.89 ? 236 SER A C 1 ATOM 1499 O O . SER A 1 205 ? -14.145 -37.963 -23.026 1.00 35.30 ? 236 SER A O 1 ATOM 1500 C CB . SER A 1 205 ? -13.592 -39.142 -26.202 1.00 35.79 ? 236 SER A CB 1 ATOM 1501 O OG . SER A 1 205 ? -14.342 -37.959 -26.298 1.00 34.19 ? 236 SER A OG 1 ATOM 1502 N N . GLN A 1 206 ? -12.141 -37.793 -24.052 1.00 35.14 ? 237 GLN A N 1 ATOM 1503 C CA . GLN A 1 206 ? -11.804 -36.579 -23.335 1.00 33.90 ? 237 GLN A CA 1 ATOM 1504 C C . GLN A 1 206 ? -12.683 -35.343 -23.701 1.00 34.18 ? 237 GLN A C 1 ATOM 1505 O O . GLN A 1 206 ? -12.929 -34.517 -22.832 1.00 34.01 ? 237 GLN A O 1 ATOM 1506 C CB . GLN A 1 206 ? -10.346 -36.275 -23.515 1.00 34.25 ? 237 GLN A CB 1 ATOM 1507 C CG . GLN A 1 206 ? -9.410 -36.932 -22.538 1.00 32.47 ? 237 GLN A CG 1 ATOM 1508 C CD . GLN A 1 206 ? -7.972 -36.669 -22.954 1.00 36.68 ? 237 GLN A CD 1 ATOM 1509 O OE1 . GLN A 1 206 ? -7.714 -36.256 -24.109 1.00 30.54 ? 237 GLN A OE1 1 ATOM 1510 N NE2 . GLN A 1 206 ? -7.019 -36.981 -22.059 1.00 33.18 ? 237 GLN A NE2 1 ATOM 1511 N N . LEU A 1 207 ? -13.122 -35.183 -24.957 1.00 33.34 ? 238 LEU A N 1 ATOM 1512 C CA . LEU A 1 207 ? -14.102 -34.109 -25.263 1.00 33.74 ? 238 LEU A CA 1 ATOM 1513 C C . LEU A 1 207 ? -15.302 -34.242 -24.370 1.00 35.46 ? 238 LEU A C 1 ATOM 1514 O O . LEU A 1 207 ? -15.760 -33.281 -23.808 1.00 36.48 ? 238 LEU A O 1 ATOM 1515 C CB . LEU A 1 207 ? -14.675 -34.174 -26.678 1.00 34.01 ? 238 LEU A CB 1 ATOM 1516 C CG . LEU A 1 207 ? -13.969 -33.978 -28.005 1.00 32.13 ? 238 LEU A CG 1 ATOM 1517 C CD1 . LEU A 1 207 ? -15.024 -34.258 -29.028 1.00 38.86 ? 238 LEU A CD1 1 ATOM 1518 C CD2 . LEU A 1 207 ? -13.476 -32.583 -28.231 1.00 33.22 ? 238 LEU A CD2 1 ATOM 1519 N N . HIS A 1 208 ? -15.856 -35.442 -24.310 1.00 37.63 ? 239 HIS A N 1 ATOM 1520 C CA . HIS A 1 208 ? -17.020 -35.706 -23.521 1.00 40.24 ? 239 HIS A CA 1 ATOM 1521 C C . HIS A 1 208 ? -16.909 -35.280 -22.055 1.00 40.21 ? 239 HIS A C 1 ATOM 1522 O O . HIS A 1 208 ? -17.927 -35.028 -21.412 1.00 42.35 ? 239 HIS A O 1 ATOM 1523 C CB . HIS A 1 208 ? -17.485 -37.178 -23.649 1.00 42.51 ? 239 HIS A CB 1 ATOM 1524 C CG . HIS A 1 208 ? -18.964 -37.318 -23.572 1.00 46.82 ? 239 HIS A CG 1 ATOM 1525 N ND1 . HIS A 1 208 ? -19.637 -37.499 -22.380 1.00 53.44 ? 239 HIS A ND1 1 ATOM 1526 C CD2 . HIS A 1 208 ? -19.915 -37.224 -24.532 1.00 50.57 ? 239 HIS A CD2 1 ATOM 1527 C CE1 . HIS A 1 208 ? -20.940 -37.540 -22.612 1.00 55.70 ? 239 HIS A CE1 1 ATOM 1528 N NE2 . HIS A 1 208 ? -21.137 -37.375 -23.913 1.00 54.15 ? 239 HIS A NE2 1 ATOM 1529 N N . GLY A 1 209 ? -15.706 -35.136 -21.518 1.00 38.42 ? 240 GLY A N 1 ATOM 1530 C CA . GLY A 1 209 ? -15.595 -34.679 -20.098 1.00 37.47 ? 240 GLY A CA 1 ATOM 1531 C C . GLY A 1 209 ? -15.448 -33.152 -20.061 1.00 35.71 ? 240 GLY A C 1 ATOM 1532 O O . GLY A 1 209 ? -15.271 -32.534 -18.970 1.00 33.84 ? 240 GLY A O 1 ATOM 1533 N N . MET A 1 210 ? -15.527 -32.546 -21.255 1.00 32.20 ? 241 MET A N 1 ATOM 1534 C CA . MET A 1 210 ? -15.505 -31.073 -21.377 1.00 33.35 ? 241 MET A CA 1 ATOM 1535 C C . MET A 1 210 ? -16.849 -30.434 -21.005 1.00 33.17 ? 241 MET A C 1 ATOM 1536 O O . MET A 1 210 ? -17.683 -30.286 -21.893 1.00 32.39 ? 241 MET A O 1 ATOM 1537 C CB . MET A 1 210 ? -15.089 -30.620 -22.825 1.00 32.65 ? 241 MET A CB 1 ATOM 1538 C CG . MET A 1 210 ? -13.589 -30.618 -23.023 1.00 33.94 ? 241 MET A CG 1 ATOM 1539 S SD . MET A 1 210 ? -13.071 -30.047 -24.624 1.00 37.98 ? 241 MET A SD 1 ATOM 1540 C CE . MET A 1 210 ? -12.624 -28.384 -24.214 1.00 34.82 ? 241 MET A CE 1 ATOM 1541 N N . ASP A 1 211 ? -17.068 -30.081 -19.719 1.00 34.56 ? 242 ASP A N 1 ATOM 1542 C CA . ASP A 1 211 ? -18.333 -29.436 -19.285 1.00 36.33 ? 242 ASP A CA 1 ATOM 1543 C C . ASP A 1 211 ? -18.752 -28.267 -20.176 1.00 36.28 ? 242 ASP A C 1 ATOM 1544 O O . ASP A 1 211 ? -19.919 -28.174 -20.573 1.00 38.12 ? 242 ASP A O 1 ATOM 1545 C CB . ASP A 1 211 ? -18.233 -28.880 -17.859 1.00 37.41 ? 242 ASP A CB 1 ATOM 1546 C CG . ASP A 1 211 ? -18.995 -29.690 -16.858 1.00 41.10 ? 242 ASP A CG 1 ATOM 1547 O OD1 . ASP A 1 211 ? -19.326 -30.871 -17.139 1.00 45.10 ? 242 ASP A OD1 1 ATOM 1548 O OD2 . ASP A 1 211 ? -19.264 -29.150 -15.756 1.00 46.89 ? 242 ASP A OD2 1 ATOM 1549 N N . LEU A 1 212 ? -17.784 -27.387 -20.451 1.00 34.06 ? 243 LEU A N 1 ATOM 1550 C CA . LEU A 1 212 ? -17.961 -26.053 -21.056 1.00 32.69 ? 243 LEU A CA 1 ATOM 1551 C C . LEU A 1 212 ? -16.583 -25.502 -21.508 1.00 30.62 ? 243 LEU A C 1 ATOM 1552 O O . LEU A 1 212 ? -15.642 -25.401 -20.723 1.00 29.55 ? 243 LEU A O 1 ATOM 1553 C CB . LEU A 1 212 ? -18.624 -25.056 -20.059 1.00 33.61 ? 243 LEU A CB 1 ATOM 1554 C CG . LEU A 1 212 ? -18.816 -23.580 -20.459 1.00 31.50 ? 243 LEU A CG 1 ATOM 1555 C CD1 . LEU A 1 212 ? -19.930 -23.407 -21.500 1.00 29.74 ? 243 LEU A CD1 1 ATOM 1556 C CD2 . LEU A 1 212 ? -19.179 -22.757 -19.228 1.00 32.14 ? 243 LEU A CD2 1 ATOM 1557 N N . LEU A 1 213 ? -16.479 -25.141 -22.778 1.00 29.03 ? 244 LEU A N 1 ATOM 1558 C CA . LEU A 1 213 ? -15.283 -24.459 -23.215 1.00 27.90 ? 244 LEU A CA 1 ATOM 1559 C C . LEU A 1 213 ? -15.502 -22.929 -23.256 1.00 27.43 ? 244 LEU A C 1 ATOM 1560 O O . LEU A 1 213 ? -16.376 -22.425 -23.968 1.00 30.43 ? 244 LEU A O 1 ATOM 1561 C CB . LEU A 1 213 ? -14.824 -24.993 -24.573 1.00 24.30 ? 244 LEU A CB 1 ATOM 1562 C CG . LEU A 1 213 ? -13.673 -24.239 -25.246 1.00 24.45 ? 244 LEU A CG 1 ATOM 1563 C CD1 . LEU A 1 213 ? -12.322 -24.462 -24.586 1.00 23.39 ? 244 LEU A CD1 1 ATOM 1564 C CD2 . LEU A 1 213 ? -13.611 -24.684 -26.760 1.00 20.69 ? 244 LEU A CD2 1 ATOM 1565 N N . VAL A 1 214 ? -14.642 -22.212 -22.572 1.00 25.53 ? 245 VAL A N 1 ATOM 1566 C CA . VAL A 1 214 ? -14.748 -20.767 -22.412 1.00 25.80 ? 245 VAL A CA 1 ATOM 1567 C C . VAL A 1 214 ? -13.546 -20.195 -23.079 1.00 24.96 ? 245 VAL A C 1 ATOM 1568 O O . VAL A 1 214 ? -12.500 -20.198 -22.522 1.00 26.74 ? 245 VAL A O 1 ATOM 1569 C CB . VAL A 1 214 ? -14.702 -20.346 -20.884 1.00 26.82 ? 245 VAL A CB 1 ATOM 1570 C CG1 . VAL A 1 214 ? -14.907 -18.845 -20.726 1.00 28.05 ? 245 VAL A CG1 1 ATOM 1571 C CG2 . VAL A 1 214 ? -15.768 -21.078 -20.058 1.00 25.10 ? 245 VAL A CG2 1 ATOM 1572 N N . LEU A 1 215 ? -13.697 -19.755 -24.309 1.00 25.41 ? 246 LEU A N 1 ATOM 1573 C CA . LEU A 1 215 ? -12.628 -19.291 -25.119 1.00 23.81 ? 246 LEU A CA 1 ATOM 1574 C C . LEU A 1 215 ? -12.523 -17.753 -24.949 1.00 24.79 ? 246 LEU A C 1 ATOM 1575 O O . LEU A 1 215 ? -13.438 -17.032 -25.388 1.00 26.54 ? 246 LEU A O 1 ATOM 1576 C CB . LEU A 1 215 ? -12.976 -19.689 -26.578 1.00 21.63 ? 246 LEU A CB 1 ATOM 1577 C CG . LEU A 1 215 ? -11.975 -19.242 -27.630 1.00 23.20 ? 246 LEU A CG 1 ATOM 1578 C CD1 . LEU A 1 215 ? -10.571 -19.808 -27.311 1.00 25.00 ? 246 LEU A CD1 1 ATOM 1579 C CD2 . LEU A 1 215 ? -12.433 -19.684 -28.998 1.00 24.38 ? 246 LEU A CD2 1 ATOM 1580 N N . LEU A 1 216 ? -11.458 -17.249 -24.309 1.00 23.01 ? 247 LEU A N 1 ATOM 1581 C CA . LEU A 1 216 ? -11.157 -15.807 -24.335 1.00 24.16 ? 247 LEU A CA 1 ATOM 1582 C C . LEU A 1 216 ? -10.414 -15.441 -25.619 1.00 23.84 ? 247 LEU A C 1 ATOM 1583 O O . LEU A 1 216 ? -9.450 -16.068 -25.967 1.00 24.86 ? 247 LEU A O 1 ATOM 1584 C CB . LEU A 1 216 ? -10.278 -15.427 -23.163 1.00 22.81 ? 247 LEU A CB 1 ATOM 1585 C CG . LEU A 1 216 ? -10.935 -15.551 -21.793 1.00 26.16 ? 247 LEU A CG 1 ATOM 1586 C CD1 . LEU A 1 216 ? -11.324 -17.012 -21.484 1.00 26.75 ? 247 LEU A CD1 1 ATOM 1587 C CD2 . LEU A 1 216 ? -9.965 -15.051 -20.751 1.00 30.80 ? 247 LEU A CD2 1 ATOM 1588 N N . ASP A 1 217 ? -10.832 -14.426 -26.326 1.00 25.58 ? 248 ASP A N 1 ATOM 1589 C CA . ASP A 1 217 ? -10.077 -14.001 -27.569 1.00 26.20 ? 248 ASP A CA 1 ATOM 1590 C C . ASP A 1 217 ? -10.330 -12.501 -27.819 1.00 26.63 ? 248 ASP A C 1 ATOM 1591 O O . ASP A 1 217 ? -11.384 -11.995 -27.477 1.00 28.96 ? 248 ASP A O 1 ATOM 1592 C CB . ASP A 1 217 ? -10.436 -14.878 -28.754 1.00 23.07 ? 248 ASP A CB 1 ATOM 1593 C CG . ASP A 1 217 ? -9.498 -14.701 -29.938 1.00 26.38 ? 248 ASP A CG 1 ATOM 1594 O OD1 . ASP A 1 217 ? -8.410 -14.125 -29.799 1.00 28.56 ? 248 ASP A OD1 1 ATOM 1595 O OD2 . ASP A 1 217 ? -9.843 -15.164 -31.050 1.00 24.49 ? 248 ASP A OD2 1 ATOM 1596 N N . LEU A 1 218 ? -9.306 -11.773 -28.281 1.00 26.53 ? 249 LEU A N 1 ATOM 1597 C CA . LEU A 1 218 ? -9.400 -10.356 -28.598 1.00 25.14 ? 249 LEU A CA 1 ATOM 1598 C C . LEU A 1 218 ? -9.853 -9.551 -27.393 1.00 23.98 ? 249 LEU A C 1 ATOM 1599 O O . LEU A 1 218 ? -10.679 -8.738 -27.531 1.00 24.61 ? 249 LEU A O 1 ATOM 1600 C CB . LEU A 1 218 ? -10.340 -10.132 -29.803 1.00 25.42 ? 249 LEU A CB 1 ATOM 1601 C CG . LEU A 1 218 ? -10.061 -11.093 -30.980 1.00 26.60 ? 249 LEU A CG 1 ATOM 1602 C CD1 . LEU A 1 218 ? -10.959 -10.709 -32.210 1.00 23.80 ? 249 LEU A CD1 1 ATOM 1603 C CD2 . LEU A 1 218 ? -8.630 -10.972 -31.354 1.00 19.96 ? 249 LEU A CD2 1 ATOM 1604 N N . ILE A 1 219 ? -9.319 -9.805 -26.206 1.00 24.60 ? 250 ILE A N 1 ATOM 1605 C CA . ILE A 1 219 ? -9.704 -9.054 -25.034 1.00 25.01 ? 250 ILE A CA 1 ATOM 1606 C C . ILE A 1 219 ? -8.600 -8.021 -24.734 1.00 26.80 ? 250 ILE A C 1 ATOM 1607 O O . ILE A 1 219 ? -7.415 -8.288 -24.904 1.00 25.27 ? 250 ILE A O 1 ATOM 1608 C CB . ILE A 1 219 ? -9.931 -9.991 -23.837 1.00 25.81 ? 250 ILE A CB 1 ATOM 1609 C CG1 . ILE A 1 219 ? -11.062 -11.007 -24.194 1.00 29.51 ? 250 ILE A CG1 1 ATOM 1610 C CG2 . ILE A 1 219 ? -10.188 -9.179 -22.515 1.00 23.96 ? 250 ILE A CG2 1 ATOM 1611 C CD1 . ILE A 1 219 ? -11.526 -11.892 -23.024 1.00 28.54 ? 250 ILE A CD1 1 ATOM 1612 N N . GLY A 1 220 ? -9.000 -6.831 -24.296 1.00 29.48 ? 251 GLY A N 1 ATOM 1613 C CA . GLY A 1 220 ? -8.023 -5.812 -23.831 1.00 30.68 ? 251 GLY A CA 1 ATOM 1614 C C . GLY A 1 220 ? -8.279 -4.392 -24.290 1.00 31.58 ? 251 GLY A C 1 ATOM 1615 O O . GLY A 1 220 ? -7.734 -3.427 -23.745 1.00 33.03 ? 251 GLY A O 1 ATOM 1616 N N . ALA A 1 221 ? -9.102 -4.287 -25.320 1.00 32.26 ? 252 ALA A N 1 ATOM 1617 C CA . ALA A 1 221 ? -9.503 -3.025 -25.877 1.00 33.71 ? 252 ALA A CA 1 ATOM 1618 C C . ALA A 1 221 ? -10.573 -2.414 -24.981 1.00 35.42 ? 252 ALA A C 1 ATOM 1619 O O . ALA A 1 221 ? -11.317 -3.163 -24.325 1.00 35.79 ? 252 ALA A O 1 ATOM 1620 C CB . ALA A 1 221 ? -10.014 -3.221 -27.323 1.00 32.55 ? 252 ALA A CB 1 ATOM 1621 N N . PRO A 1 222 ? -10.642 -1.052 -24.942 1.00 37.01 ? 253 PRO A N 1 ATOM 1622 C CA . PRO A 1 222 ? -11.651 -0.318 -24.189 1.00 38.09 ? 253 PRO A CA 1 ATOM 1623 C C . PRO A 1 222 ? -13.017 -0.626 -24.754 1.00 38.08 ? 253 PRO A C 1 ATOM 1624 O O . PRO A 1 222 ? -13.156 -0.815 -25.952 1.00 37.44 ? 253 PRO A O 1 ATOM 1625 C CB . PRO A 1 222 ? -11.295 1.151 -24.477 1.00 39.55 ? 253 PRO A CB 1 ATOM 1626 C CG . PRO A 1 222 ? -10.551 1.089 -25.844 1.00 39.40 ? 253 PRO A CG 1 ATOM 1627 C CD . PRO A 1 222 ? -9.728 -0.135 -25.675 1.00 36.98 ? 253 PRO A CD 1 ATOM 1628 N N . ASN A 1 223 ? -14.005 -0.687 -23.882 1.00 38.91 ? 254 ASN A N 1 ATOM 1629 C CA . ASN A 1 223 ? -15.435 -0.723 -24.252 1.00 41.21 ? 254 ASN A CA 1 ATOM 1630 C C . ASN A 1 223 ? -15.808 -1.884 -25.159 1.00 40.22 ? 254 ASN A C 1 ATOM 1631 O O . ASN A 1 223 ? -16.482 -1.652 -26.180 1.00 40.05 ? 254 ASN A O 1 ATOM 1632 C CB . ASN A 1 223 ? -15.930 0.612 -24.895 1.00 42.91 ? 254 ASN A CB 1 ATOM 1633 C CG . ASN A 1 223 ? -15.615 1.859 -24.055 1.00 45.59 ? 254 ASN A CG 1 ATOM 1634 O OD1 . ASN A 1 223 ? -16.108 2.030 -22.920 1.00 48.19 ? 254 ASN A OD1 1 ATOM 1635 N ND2 . ASN A 1 223 ? -14.824 2.763 -24.633 1.00 44.43 ? 254 ASN A ND2 1 ATOM 1636 N N . PRO A 1 224 ? -15.378 -3.131 -24.798 1.00 38.72 ? 255 PRO A N 1 ATOM 1637 C CA . PRO A 1 224 ? -15.748 -4.341 -25.539 1.00 37.48 ? 255 PRO A CA 1 ATOM 1638 C C . PRO A 1 224 ? -17.218 -4.695 -25.330 1.00 38.87 ? 255 PRO A C 1 ATOM 1639 O O . PRO A 1 224 ? -17.756 -4.464 -24.233 1.00 40.32 ? 255 PRO A O 1 ATOM 1640 C CB . PRO A 1 224 ? -14.858 -5.417 -24.927 1.00 34.70 ? 255 PRO A CB 1 ATOM 1641 C CG . PRO A 1 224 ? -14.693 -5.007 -23.528 1.00 38.04 ? 255 PRO A CG 1 ATOM 1642 C CD . PRO A 1 224 ? -14.636 -3.467 -23.564 1.00 39.06 ? 255 PRO A CD 1 ATOM 1643 N N . THR A 1 225 ? -17.866 -5.220 -26.369 1.00 38.99 ? 256 THR A N 1 ATOM 1644 C CA . THR A 1 225 ? -19.236 -5.751 -26.204 1.00 41.16 ? 256 THR A CA 1 ATOM 1645 C C . THR A 1 225 ? -19.302 -7.180 -26.680 1.00 39.82 ? 256 THR A C 1 ATOM 1646 O O . THR A 1 225 ? -19.071 -7.468 -27.858 1.00 39.22 ? 256 THR A O 1 ATOM 1647 C CB . THR A 1 225 ? -20.288 -4.939 -26.965 1.00 43.22 ? 256 THR A CB 1 ATOM 1648 O OG1 . THR A 1 225 ? -19.831 -4.723 -28.315 1.00 45.40 ? 256 THR A OG1 1 ATOM 1649 C CG2 . THR A 1 225 ? -20.564 -3.614 -26.264 1.00 45.29 ? 256 THR A CG2 1 ATOM 1650 N N . PHE A 1 226 ? -19.578 -8.077 -25.742 1.00 40.03 ? 257 PHE A N 1 ATOM 1651 C CA . PHE A 1 226 ? -19.590 -9.509 -26.008 1.00 39.69 ? 257 PHE A CA 1 ATOM 1652 C C . PHE A 1 226 ? -21.010 -9.986 -26.234 1.00 40.40 ? 257 PHE A C 1 ATOM 1653 O O . PHE A 1 226 ? -21.807 -9.957 -25.296 1.00 42.44 ? 257 PHE A O 1 ATOM 1654 C CB . PHE A 1 226 ? -19.055 -10.282 -24.803 1.00 39.18 ? 257 PHE A CB 1 ATOM 1655 C CG . PHE A 1 226 ? -17.620 -10.036 -24.507 1.00 39.67 ? 257 PHE A CG 1 ATOM 1656 C CD1 . PHE A 1 226 ? -16.627 -10.640 -25.273 1.00 39.28 ? 257 PHE A CD1 1 ATOM 1657 C CD2 . PHE A 1 226 ? -17.248 -9.231 -23.430 1.00 42.77 ? 257 PHE A CD2 1 ATOM 1658 C CE1 . PHE A 1 226 ? -15.285 -10.425 -24.995 1.00 36.84 ? 257 PHE A CE1 1 ATOM 1659 C CE2 . PHE A 1 226 ? -15.886 -9.022 -23.131 1.00 43.27 ? 257 PHE A CE2 1 ATOM 1660 C CZ . PHE A 1 226 ? -14.911 -9.630 -23.921 1.00 39.29 ? 257 PHE A CZ 1 ATOM 1661 N N . PRO A 1 227 ? -21.322 -10.437 -27.456 1.00 40.05 ? 258 PRO A N 1 ATOM 1662 C CA . PRO A 1 227 ? -22.618 -11.051 -27.755 1.00 41.63 ? 258 PRO A CA 1 ATOM 1663 C C . PRO A 1 227 ? -22.876 -12.342 -26.964 1.00 41.09 ? 258 PRO A C 1 ATOM 1664 O O . PRO A 1 227 ? -21.964 -12.943 -26.406 1.00 38.23 ? 258 PRO A O 1 ATOM 1665 C CB . PRO A 1 227 ? -22.476 -11.442 -29.247 1.00 41.57 ? 258 PRO A CB 1 ATOM 1666 C CG . PRO A 1 227 ? -21.431 -10.543 -29.765 1.00 40.18 ? 258 PRO A CG 1 ATOM 1667 C CD . PRO A 1 227 ? -20.447 -10.444 -28.646 1.00 37.83 ? 258 PRO A CD 1 ATOM 1668 N N . ASN A 1 228 ? -24.124 -12.780 -26.952 1.00 43.07 ? 259 ASN A N 1 ATOM 1669 C CA . ASN A 1 228 ? -24.425 -14.099 -26.463 1.00 43.24 ? 259 ASN A CA 1 ATOM 1670 C C . ASN A 1 228 ? -24.611 -14.967 -27.692 1.00 42.52 ? 259 ASN A C 1 ATOM 1671 O O . ASN A 1 228 ? -25.644 -14.905 -28.358 1.00 44.51 ? 259 ASN A O 1 ATOM 1672 C CB . ASN A 1 228 ? -25.658 -14.118 -25.581 1.00 45.45 ? 259 ASN A CB 1 ATOM 1673 C CG . ASN A 1 228 ? -25.897 -15.476 -24.954 1.00 47.38 ? 259 ASN A CG 1 ATOM 1674 O OD1 . ASN A 1 228 ? -26.899 -15.682 -24.288 1.00 53.77 ? 259 ASN A OD1 1 ATOM 1675 N ND2 . ASN A 1 228 ? -24.971 -16.395 -25.141 1.00 45.49 ? 259 ASN A ND2 1 ATOM 1676 N N . PHE A 1 229 ? -23.597 -15.784 -27.954 1.00 39.15 ? 260 PHE A N 1 ATOM 1677 C CA . PHE A 1 229 ? -23.455 -16.508 -29.207 1.00 37.99 ? 260 PHE A CA 1 ATOM 1678 C C . PHE A 1 229 ? -24.264 -17.776 -29.301 1.00 38.24 ? 260 PHE A C 1 ATOM 1679 O O . PHE A 1 229 ? -24.769 -18.095 -30.375 1.00 38.90 ? 260 PHE A O 1 ATOM 1680 C CB . PHE A 1 229 ? -21.964 -16.839 -29.460 1.00 34.86 ? 260 PHE A CB 1 ATOM 1681 C CG . PHE A 1 229 ? -21.128 -15.650 -29.881 1.00 33.45 ? 260 PHE A CG 1 ATOM 1682 C CD1 . PHE A 1 229 ? -20.270 -15.027 -28.971 1.00 32.31 ? 260 PHE A CD1 1 ATOM 1683 C CD2 . PHE A 1 229 ? -21.185 -15.156 -31.206 1.00 30.41 ? 260 PHE A CD2 1 ATOM 1684 C CE1 . PHE A 1 229 ? -19.474 -13.935 -29.381 1.00 29.08 ? 260 PHE A CE1 1 ATOM 1685 C CE2 . PHE A 1 229 ? -20.388 -14.044 -31.630 1.00 28.65 ? 260 PHE A CE2 1 ATOM 1686 C CZ . PHE A 1 229 ? -19.551 -13.433 -30.731 1.00 27.84 ? 260 PHE A CZ 1 ATOM 1687 N N . PHE A 1 230 ? -24.391 -18.514 -28.195 1.00 38.70 ? 261 PHE A N 1 ATOM 1688 C CA . PHE A 1 230 ? -24.885 -19.910 -28.289 1.00 39.36 ? 261 PHE A CA 1 ATOM 1689 C C . PHE A 1 230 ? -25.970 -20.202 -27.314 1.00 42.07 ? 261 PHE A C 1 ATOM 1690 O O . PHE A 1 230 ? -25.769 -20.029 -26.094 1.00 42.30 ? 261 PHE A O 1 ATOM 1691 C CB . PHE A 1 230 ? -23.737 -20.943 -28.158 1.00 36.81 ? 261 PHE A CB 1 ATOM 1692 C CG . PHE A 1 230 ? -22.642 -20.759 -29.179 1.00 32.18 ? 261 PHE A CG 1 ATOM 1693 C CD1 . PHE A 1 230 ? -22.900 -20.915 -30.546 1.00 32.38 ? 261 PHE A CD1 1 ATOM 1694 C CD2 . PHE A 1 230 ? -21.361 -20.402 -28.783 1.00 29.30 ? 261 PHE A CD2 1 ATOM 1695 C CE1 . PHE A 1 230 ? -21.901 -20.741 -31.480 1.00 28.32 ? 261 PHE A CE1 1 ATOM 1696 C CE2 . PHE A 1 230 ? -20.346 -20.214 -29.729 1.00 27.08 ? 261 PHE A CE2 1 ATOM 1697 C CZ . PHE A 1 230 ? -20.613 -20.356 -31.054 1.00 27.23 ? 261 PHE A CZ 1 ATOM 1698 N N . PRO A 1 231 ? -27.150 -20.608 -27.836 1.00 45.15 ? 262 PRO A N 1 ATOM 1699 C CA . PRO A 1 231 ? -28.214 -20.959 -26.892 1.00 48.07 ? 262 PRO A CA 1 ATOM 1700 C C . PRO A 1 231 ? -27.708 -21.898 -25.779 1.00 48.08 ? 262 PRO A C 1 ATOM 1701 O O . PRO A 1 231 ? -28.021 -21.682 -24.612 1.00 48.83 ? 262 PRO A O 1 ATOM 1702 C CB . PRO A 1 231 ? -29.296 -21.641 -27.776 1.00 49.30 ? 262 PRO A CB 1 ATOM 1703 C CG . PRO A 1 231 ? -29.001 -21.211 -29.193 1.00 48.57 ? 262 PRO A CG 1 ATOM 1704 C CD . PRO A 1 231 ? -27.629 -20.550 -29.240 1.00 45.72 ? 262 PRO A CD 1 ATOM 1705 N N . ASN A 1 232 ? -26.912 -22.909 -26.128 1.00 47.68 ? 263 ASN A N 1 ATOM 1706 C CA . ASN A 1 232 ? -26.576 -23.943 -25.137 1.00 49.84 ? 263 ASN A CA 1 ATOM 1707 C C . ASN A 1 232 ? -25.492 -23.530 -24.111 1.00 48.70 ? 263 ASN A C 1 ATOM 1708 O O . ASN A 1 232 ? -24.999 -24.353 -23.309 1.00 49.22 ? 263 ASN A O 1 ATOM 1709 C CB . ASN A 1 232 ? -26.278 -25.304 -25.802 1.00 49.57 ? 263 ASN A CB 1 ATOM 1710 C CG . ASN A 1 232 ? -24.934 -25.349 -26.470 1.00 48.81 ? 263 ASN A CG 1 ATOM 1711 O OD1 . ASN A 1 232 ? -24.324 -24.315 -26.721 1.00 53.39 ? 263 ASN A OD1 1 ATOM 1712 N ND2 . ASN A 1 232 ? -24.458 -26.556 -26.781 1.00 51.46 ? 263 ASN A ND2 1 ATOM 1713 N N . SER A 1 233 ? -25.087 -22.265 -24.201 1.00 47.40 ? 264 SER A N 1 ATOM 1714 C CA . SER A 1 233 ? -24.323 -21.634 -23.159 1.00 45.14 ? 264 SER A CA 1 ATOM 1715 C C . SER A 1 233 ? -25.033 -20.376 -22.692 1.00 44.98 ? 264 SER A C 1 ATOM 1716 O O . SER A 1 233 ? -24.484 -19.643 -21.899 1.00 44.93 ? 264 SER A O 1 ATOM 1717 C CB . SER A 1 233 ? -22.910 -21.321 -23.654 1.00 43.01 ? 264 SER A CB 1 ATOM 1718 O OG . SER A 1 233 ? -22.918 -20.493 -24.800 1.00 43.32 ? 264 SER A OG 1 ATOM 1719 N N . ALA A 1 234 ? -26.231 -20.103 -23.193 1.00 44.58 ? 265 ALA A N 1 ATOM 1720 C CA . ALA A 1 234 ? -26.893 -18.874 -22.826 1.00 45.92 ? 265 ALA A CA 1 ATOM 1721 C C . ALA A 1 234 ? -27.057 -18.716 -21.310 1.00 46.94 ? 265 ALA A C 1 ATOM 1722 O O . ALA A 1 234 ? -26.935 -17.602 -20.813 1.00 48.26 ? 265 ALA A O 1 ATOM 1723 C CB . ALA A 1 234 ? -28.252 -18.688 -23.548 1.00 47.75 ? 265 ALA A CB 1 ATOM 1724 N N . ARG A 1 235 ? -27.331 -19.786 -20.569 1.00 46.88 ? 266 ARG A N 1 ATOM 1725 C CA . ARG A 1 235 ? -27.518 -19.621 -19.119 1.00 48.51 ? 266 ARG A CA 1 ATOM 1726 C C . ARG A 1 235 ? -26.192 -19.263 -18.419 1.00 46.95 ? 266 ARG A C 1 ATOM 1727 O O . ARG A 1 235 ? -26.200 -18.636 -17.341 1.00 47.10 ? 266 ARG A O 1 ATOM 1728 C CB . ARG A 1 235 ? -28.196 -20.846 -18.470 1.00 50.10 ? 266 ARG A CB 1 ATOM 1729 C CG . ARG A 1 235 ? -27.351 -22.128 -18.556 1.00 48.39 ? 266 ARG A CG 1 ATOM 1730 C CD . ARG A 1 235 ? -28.139 -23.408 -18.273 1.00 48.17 ? 266 ARG A CD 1 ATOM 1731 N NE . ARG A 1 235 ? -27.214 -24.542 -18.211 1.00 43.07 ? 266 ARG A NE 1 ATOM 1732 C CZ . ARG A 1 235 ? -26.717 -25.053 -17.082 1.00 45.30 ? 266 ARG A CZ 1 ATOM 1733 N NH1 . ARG A 1 235 ? -27.045 -24.544 -15.888 1.00 45.24 ? 266 ARG A NH1 1 ATOM 1734 N NH2 . ARG A 1 235 ? -25.888 -26.083 -17.150 1.00 44.25 ? 266 ARG A NH2 1 ATOM 1735 N N . TRP A 1 236 ? -25.071 -19.661 -19.049 1.00 43.96 ? 267 TRP A N 1 ATOM 1736 C CA . TRP A 1 236 ? -23.739 -19.314 -18.557 1.00 42.80 ? 267 TRP A CA 1 ATOM 1737 C C . TRP A 1 236 ? -23.373 -17.841 -18.846 1.00 42.68 ? 267 TRP A C 1 ATOM 1738 O O . TRP A 1 236 ? -22.923 -17.125 -17.942 1.00 42.31 ? 267 TRP A O 1 ATOM 1739 C CB . TRP A 1 236 ? -22.674 -20.347 -19.017 1.00 40.23 ? 267 TRP A CB 1 ATOM 1740 C CG . TRP A 1 236 ? -22.960 -21.666 -18.333 1.00 41.29 ? 267 TRP A CG 1 ATOM 1741 C CD1 . TRP A 1 236 ? -23.314 -22.864 -18.940 1.00 37.84 ? 267 TRP A CD1 1 ATOM 1742 C CD2 . TRP A 1 236 ? -23.024 -21.908 -16.898 1.00 38.59 ? 267 TRP A CD2 1 ATOM 1743 N NE1 . TRP A 1 236 ? -23.587 -23.815 -17.961 1.00 38.69 ? 267 TRP A NE1 1 ATOM 1744 C CE2 . TRP A 1 236 ? -23.400 -23.260 -16.715 1.00 38.89 ? 267 TRP A CE2 1 ATOM 1745 C CE3 . TRP A 1 236 ? -22.791 -21.116 -15.760 1.00 42.07 ? 267 TRP A CE3 1 ATOM 1746 C CZ2 . TRP A 1 236 ? -23.539 -23.841 -15.431 1.00 41.67 ? 267 TRP A CZ2 1 ATOM 1747 C CZ3 . TRP A 1 236 ? -22.951 -21.694 -14.472 1.00 42.73 ? 267 TRP A CZ3 1 ATOM 1748 C CH2 . TRP A 1 236 ? -23.317 -23.044 -14.329 1.00 42.15 ? 267 TRP A CH2 1 ATOM 1749 N N . PHE A 1 237 ? -23.613 -17.390 -20.080 1.00 41.36 ? 268 PHE A N 1 ATOM 1750 C CA . PHE A 1 237 ? -23.572 -15.951 -20.417 1.00 42.25 ? 268 PHE A CA 1 ATOM 1751 C C . PHE A 1 237 ? -24.409 -15.042 -19.490 1.00 44.84 ? 268 PHE A C 1 ATOM 1752 O O . PHE A 1 237 ? -23.973 -13.955 -19.135 1.00 44.97 ? 268 PHE A O 1 ATOM 1753 C CB . PHE A 1 237 ? -24.014 -15.741 -21.867 1.00 41.55 ? 268 PHE A CB 1 ATOM 1754 C CG . PHE A 1 237 ? -23.886 -14.339 -22.335 1.00 41.93 ? 268 PHE A CG 1 ATOM 1755 C CD1 . PHE A 1 237 ? -22.733 -13.923 -23.029 1.00 41.25 ? 268 PHE A CD1 1 ATOM 1756 C CD2 . PHE A 1 237 ? -24.919 -13.418 -22.106 1.00 44.79 ? 268 PHE A CD2 1 ATOM 1757 C CE1 . PHE A 1 237 ? -22.596 -12.607 -23.487 1.00 38.56 ? 268 PHE A CE1 1 ATOM 1758 C CE2 . PHE A 1 237 ? -24.798 -12.089 -22.551 1.00 45.13 ? 268 PHE A CE2 1 ATOM 1759 C CZ . PHE A 1 237 ? -23.617 -11.694 -23.253 1.00 43.55 ? 268 PHE A CZ 1 ATOM 1760 N N . GLU A 1 238 ? -25.618 -15.486 -19.163 1.00 47.15 ? 269 GLU A N 1 ATOM 1761 C CA . GLU A 1 238 ? -26.475 -14.884 -18.143 1.00 50.57 ? 269 GLU A CA 1 ATOM 1762 C C . GLU A 1 238 ? -25.783 -14.700 -16.798 1.00 50.71 ? 269 GLU A C 1 ATOM 1763 O O . GLU A 1 238 ? -25.960 -13.683 -16.129 1.00 52.01 ? 269 GLU A O 1 ATOM 1764 C CB . GLU A 1 238 ? -27.656 -15.787 -17.888 1.00 52.86 ? 269 GLU A CB 1 ATOM 1765 C CG . GLU A 1 238 ? -28.972 -15.396 -18.497 1.00 57.04 ? 269 GLU A CG 1 ATOM 1766 C CD . GLU A 1 238 ? -30.017 -16.457 -18.191 1.00 61.15 ? 269 GLU A CD 1 ATOM 1767 O OE1 . GLU A 1 238 ? -30.559 -16.493 -17.054 1.00 64.71 ? 269 GLU A OE1 1 ATOM 1768 O OE2 . GLU A 1 238 ? -30.262 -17.285 -19.089 1.00 61.83 ? 269 GLU A OE2 1 ATOM 1769 N N . ARG A 1 239 ? -25.035 -15.718 -16.389 1.00 49.85 ? 270 ARG A N 1 ATOM 1770 C CA . ARG A 1 239 ? -24.275 -15.676 -15.148 1.00 49.33 ? 270 ARG A CA 1 ATOM 1771 C C . ARG A 1 239 ? -23.200 -14.583 -15.226 1.00 48.04 ? 270 ARG A C 1 ATOM 1772 O O . ARG A 1 239 ? -22.977 -13.882 -14.233 1.00 48.47 ? 270 ARG A O 1 ATOM 1773 C CB . ARG A 1 239 ? -23.650 -17.042 -14.851 1.00 48.00 ? 270 ARG A CB 1 ATOM 1774 C CG . ARG A 1 239 ? -24.653 -18.128 -14.414 1.00 50.84 ? 270 ARG A CG 1 ATOM 1775 C CD . ARG A 1 239 ? -25.496 -17.686 -13.198 1.00 49.14 ? 270 ARG A CD 1 ATOM 1776 N NE . ARG A 1 239 ? -24.622 -17.134 -12.168 1.00 49.74 ? 270 ARG A NE 1 ATOM 1777 C CZ . ARG A 1 239 ? -24.975 -16.259 -11.231 1.00 50.17 ? 270 ARG A CZ 1 ATOM 1778 N NH1 . ARG A 1 239 ? -26.207 -15.798 -11.166 1.00 53.14 ? 270 ARG A NH1 1 ATOM 1779 N NH2 . ARG A 1 239 ? -24.071 -15.830 -10.359 1.00 49.40 ? 270 ARG A NH2 1 ATOM 1780 N N . LEU A 1 240 ? -22.548 -14.437 -16.394 1.00 45.02 ? 271 LEU A N 1 ATOM 1781 C CA . LEU A 1 240 ? -21.593 -13.335 -16.604 1.00 44.36 ? 271 LEU A CA 1 ATOM 1782 C C . LEU A 1 240 ? -22.288 -11.963 -16.418 1.00 46.69 ? 271 LEU A C 1 ATOM 1783 O O . LEU A 1 240 ? -21.751 -11.045 -15.775 1.00 47.03 ? 271 LEU A O 1 ATOM 1784 C CB . LEU A 1 240 ? -20.868 -13.451 -17.964 1.00 41.11 ? 271 LEU A CB 1 ATOM 1785 C CG . LEU A 1 240 ? -19.819 -14.562 -18.183 1.00 38.98 ? 271 LEU A CG 1 ATOM 1786 C CD1 . LEU A 1 240 ? -19.305 -14.631 -19.666 1.00 36.97 ? 271 LEU A CD1 1 ATOM 1787 C CD2 . LEU A 1 240 ? -18.601 -14.489 -17.273 1.00 37.09 ? 271 LEU A CD2 1 ATOM 1788 N N . GLN A 1 241 ? -23.505 -11.859 -16.956 1.00 48.07 ? 272 GLN A N 1 ATOM 1789 C CA . GLN A 1 241 ? -24.328 -10.656 -16.862 1.00 49.69 ? 272 GLN A CA 1 ATOM 1790 C C . GLN A 1 241 ? -24.725 -10.274 -15.462 1.00 51.63 ? 272 GLN A C 1 ATOM 1791 O O . GLN A 1 241 ? -24.703 -9.088 -15.112 1.00 53.68 ? 272 GLN A O 1 ATOM 1792 C CB . GLN A 1 241 ? -25.595 -10.809 -17.690 1.00 51.17 ? 272 GLN A CB 1 ATOM 1793 C CG . GLN A 1 241 ? -25.329 -10.870 -19.167 1.00 49.21 ? 272 GLN A CG 1 ATOM 1794 C CD . GLN A 1 241 ? -26.575 -10.606 -19.965 1.00 51.20 ? 272 GLN A CD 1 ATOM 1795 O OE1 . GLN A 1 241 ? -26.582 -9.743 -20.850 1.00 52.33 ? 272 GLN A OE1 1 ATOM 1796 N NE2 . GLN A 1 241 ? -27.629 -11.365 -19.687 1.00 48.19 ? 272 GLN A NE2 1 ATOM 1797 N N . ALA A 1 242 ? -25.107 -11.268 -14.667 1.00 51.70 ? 273 ALA A N 1 ATOM 1798 C CA . ALA A 1 242 ? -25.439 -11.061 -13.269 1.00 52.81 ? 273 ALA A CA 1 ATOM 1799 C C . ALA A 1 242 ? -24.199 -10.754 -12.462 1.00 52.06 ? 273 ALA A C 1 ATOM 1800 O O . ALA A 1 242 ? -24.287 -10.089 -11.421 1.00 53.26 ? 273 ALA A O 1 ATOM 1801 C CB . ALA A 1 242 ? -26.126 -12.271 -12.707 1.00 54.10 ? 273 ALA A CB 1 ATOM 1802 N N . ILE A 1 243 ? -23.043 -11.236 -12.936 1.00 49.06 ? 274 ILE A N 1 ATOM 1803 C CA . ILE A 1 243 ? -21.788 -11.074 -12.202 1.00 48.23 ? 274 ILE A CA 1 ATOM 1804 C C . ILE A 1 243 ? -21.235 -9.654 -12.376 1.00 47.94 ? 274 ILE A C 1 ATOM 1805 O O . ILE A 1 243 ? -20.986 -8.947 -11.379 1.00 48.86 ? 274 ILE A O 1 ATOM 1806 C CB . ILE A 1 243 ? -20.727 -12.140 -12.596 1.00 45.90 ? 274 ILE A CB 1 ATOM 1807 C CG1 . ILE A 1 243 ? -21.116 -13.538 -12.089 1.00 45.85 ? 274 ILE A CG1 1 ATOM 1808 C CG2 . ILE A 1 243 ? -19.325 -11.757 -12.055 1.00 45.85 ? 274 ILE A CG2 1 ATOM 1809 C CD1 . ILE A 1 243 ? -20.277 -14.660 -12.762 1.00 38.54 ? 274 ILE A CD1 1 ATOM 1810 N N . GLU A 1 244 ? -21.044 -9.253 -13.633 1.00 46.10 ? 275 GLU A N 1 ATOM 1811 C CA . GLU A 1 244 ? -20.746 -7.878 -13.992 1.00 46.32 ? 275 GLU A CA 1 ATOM 1812 C C . GLU A 1 244 ? -21.639 -6.988 -13.187 1.00 49.86 ? 275 GLU A C 1 ATOM 1813 O O . GLU A 1 244 ? -21.157 -6.062 -12.533 1.00 51.59 ? 275 GLU A O 1 ATOM 1814 C CB . GLU A 1 244 ? -20.992 -7.657 -15.488 1.00 45.10 ? 275 GLU A CB 1 ATOM 1815 C CG . GLU A 1 244 ? -20.687 -6.268 -16.011 1.00 44.16 ? 275 GLU A CG 1 ATOM 1816 C CD . GLU A 1 244 ? -20.666 -6.241 -17.525 1.00 44.36 ? 275 GLU A CD 1 ATOM 1817 O OE1 . GLU A 1 244 ? -21.082 -7.224 -18.136 1.00 42.02 ? 275 GLU A OE1 1 ATOM 1818 O OE2 . GLU A 1 244 ? -20.217 -5.253 -18.122 1.00 45.44 ? 275 GLU A OE2 1 ATOM 1819 N N . HIS A 1 245 ? -22.938 -7.303 -13.190 1.00 51.57 ? 276 HIS A N 1 ATOM 1820 C CA . HIS A 1 245 ? -23.936 -6.494 -12.530 1.00 54.70 ? 276 HIS A CA 1 ATOM 1821 C C . HIS A 1 245 ? -23.741 -6.334 -11.006 1.00 56.87 ? 276 HIS A C 1 ATOM 1822 O O . HIS A 1 245 ? -23.885 -5.234 -10.461 1.00 57.36 ? 276 HIS A O 1 ATOM 1823 C CB . HIS A 1 245 ? -25.349 -7.012 -12.803 1.00 56.64 ? 276 HIS A CB 1 ATOM 1824 C CG . HIS A 1 245 ? -26.401 -6.263 -12.041 1.00 60.83 ? 276 HIS A CG 1 ATOM 1825 N ND1 . HIS A 1 245 ? -27.056 -5.167 -12.561 1.00 64.60 ? 276 HIS A ND1 1 ATOM 1826 C CD2 . HIS A 1 245 ? -26.865 -6.413 -10.778 1.00 64.05 ? 276 HIS A CD2 1 ATOM 1827 C CE1 . HIS A 1 245 ? -27.892 -4.685 -11.661 1.00 65.54 ? 276 HIS A CE1 1 ATOM 1828 N NE2 . HIS A 1 245 ? -27.793 -5.423 -10.568 1.00 68.05 ? 276 HIS A NE2 1 ATOM 1829 N N . GLU A 1 246 ? -23.433 -7.432 -10.334 1.00 56.40 ? 277 GLU A N 1 ATOM 1830 C CA . GLU A 1 246 ? -23.219 -7.375 -8.920 1.00 58.80 ? 277 GLU A CA 1 ATOM 1831 C C . GLU A 1 246 ? -21.849 -6.811 -8.537 1.00 58.12 ? 277 GLU A C 1 ATOM 1832 O O . GLU A 1 246 ? -21.702 -6.136 -7.511 1.00 60.00 ? 277 GLU A O 1 ATOM 1833 C CB . GLU A 1 246 ? -23.440 -8.743 -8.293 1.00 59.18 ? 277 GLU A CB 1 ATOM 1834 C CG . GLU A 1 246 ? -23.660 -8.670 -6.783 1.00 61.94 ? 277 GLU A CG 1 ATOM 1835 C CD . GLU A 1 246 ? -24.879 -7.885 -6.401 1.00 66.13 ? 277 GLU A CD 1 ATOM 1836 O OE1 . GLU A 1 246 ? -25.094 -7.726 -5.176 1.00 67.79 ? 277 GLU A OE1 1 ATOM 1837 O OE2 . GLU A 1 246 ? -25.619 -7.428 -7.315 1.00 66.09 ? 277 GLU A OE2 1 ATOM 1838 N N . LEU A 1 247 ? -20.840 -7.070 -9.340 1.00 55.49 ? 278 LEU A N 1 ATOM 1839 C CA . LEU A 1 247 ? -19.554 -6.510 -9.004 1.00 55.53 ? 278 LEU A CA 1 ATOM 1840 C C . LEU A 1 247 ? -19.670 -5.010 -9.174 1.00 57.24 ? 278 LEU A C 1 ATOM 1841 O O . LEU A 1 247 ? -19.125 -4.235 -8.386 1.00 58.58 ? 278 LEU A O 1 ATOM 1842 C CB . LEU A 1 247 ? -18.457 -7.094 -9.886 1.00 52.62 ? 278 LEU A CB 1 ATOM 1843 C CG . LEU A 1 247 ? -17.981 -8.530 -9.599 1.00 51.42 ? 278 LEU A CG 1 ATOM 1844 C CD1 . LEU A 1 247 ? -17.052 -8.931 -10.702 1.00 46.73 ? 278 LEU A CD1 1 ATOM 1845 C CD2 . LEU A 1 247 ? -17.306 -8.748 -8.202 1.00 52.55 ? 278 LEU A CD2 1 ATOM 1846 N N . HIS A 1 248 ? -20.438 -4.603 -10.180 1.00 57.64 ? 279 HIS A N 1 ATOM 1847 C CA . HIS A 1 248 ? -20.659 -3.197 -10.421 1.00 59.52 ? 279 HIS A CA 1 ATOM 1848 C C . HIS A 1 248 ? -21.317 -2.503 -9.221 1.00 63.34 ? 279 HIS A C 1 ATOM 1849 O O . HIS A 1 248 ? -20.816 -1.500 -8.738 1.00 64.74 ? 279 HIS A O 1 ATOM 1850 C CB . HIS A 1 248 ? -21.473 -2.986 -11.694 1.00 58.85 ? 279 HIS A CB 1 ATOM 1851 C CG . HIS A 1 248 ? -21.866 -1.562 -11.913 1.00 60.97 ? 279 HIS A CG 1 ATOM 1852 N ND1 . HIS A 1 248 ? -21.143 -0.705 -12.715 1.00 60.29 ? 279 HIS A ND1 1 ATOM 1853 C CD2 . HIS A 1 248 ? -22.888 -0.830 -11.403 1.00 62.88 ? 279 HIS A CD2 1 ATOM 1854 C CE1 . HIS A 1 248 ? -21.717 0.488 -12.706 1.00 61.64 ? 279 HIS A CE1 1 ATOM 1855 N NE2 . HIS A 1 248 ? -22.775 0.439 -11.916 1.00 61.15 ? 279 HIS A NE2 1 ATOM 1856 N N . GLU A 1 249 ? -22.425 -3.056 -8.737 1.00 65.45 ? 280 GLU A N 1 ATOM 1857 C CA . GLU A 1 249 ? -23.198 -2.466 -7.647 1.00 69.51 ? 280 GLU A CA 1 ATOM 1858 C C . GLU A 1 249 ? -22.422 -2.353 -6.344 1.00 70.14 ? 280 GLU A C 1 ATOM 1859 O O . GLU A 1 249 ? -22.751 -1.555 -5.502 1.00 72.68 ? 280 GLU A O 1 ATOM 1860 C CB . GLU A 1 249 ? -24.461 -3.298 -7.365 1.00 71.39 ? 280 GLU A CB 1 ATOM 1861 C CG . GLU A 1 249 ? -25.513 -3.262 -8.448 1.00 72.30 ? 280 GLU A CG 1 ATOM 1862 C CD . GLU A 1 249 ? -26.230 -1.943 -8.491 1.00 76.02 ? 280 GLU A CD 1 ATOM 1863 O OE1 . GLU A 1 249 ? -27.115 -1.720 -7.636 1.00 80.89 ? 280 GLU A OE1 1 ATOM 1864 O OE2 . GLU A 1 249 ? -25.896 -1.129 -9.381 1.00 75.80 ? 280 GLU A OE2 1 ATOM 1865 N N . LEU A 1 250 ? -21.406 -3.184 -6.182 1.00 68.23 ? 281 LEU A N 1 ATOM 1866 C CA . LEU A 1 250 ? -20.688 -3.257 -4.929 1.00 68.87 ? 281 LEU A CA 1 ATOM 1867 C C . LEU A 1 250 ? -19.512 -2.294 -4.984 1.00 68.41 ? 281 LEU A C 1 ATOM 1868 O O . LEU A 1 250 ? -18.742 -2.170 -4.031 1.00 69.25 ? 281 LEU A O 1 ATOM 1869 C CB . LEU A 1 250 ? -20.247 -4.706 -4.677 1.00 67.02 ? 281 LEU A CB 1 ATOM 1870 C CG . LEU A 1 250 ? -21.356 -5.648 -4.179 1.00 68.24 ? 281 LEU A CG 1 ATOM 1871 C CD1 . LEU A 1 250 ? -20.959 -7.077 -4.355 1.00 66.29 ? 281 LEU A CD1 1 ATOM 1872 C CD2 . LEU A 1 250 ? -21.745 -5.370 -2.694 1.00 70.98 ? 281 LEU A CD2 1 ATOM 1873 N N . GLY A 1 251 ? -19.398 -1.609 -6.123 1.00 67.19 ? 282 GLY A N 1 ATOM 1874 C CA . GLY A 1 251 ? -18.320 -0.663 -6.385 1.00 66.26 ? 282 GLY A CA 1 ATOM 1875 C C . GLY A 1 251 ? -16.981 -1.356 -6.553 1.00 63.37 ? 282 GLY A C 1 ATOM 1876 O O . GLY A 1 251 ? -15.939 -0.751 -6.330 1.00 63.00 ? 282 GLY A O 1 ATOM 1877 N N . LEU A 1 252 ? -17.015 -2.634 -6.923 1.00 61.48 ? 283 LEU A N 1 ATOM 1878 C CA . LEU A 1 252 ? -15.801 -3.437 -7.129 1.00 59.22 ? 283 LEU A CA 1 ATOM 1879 C C . LEU A 1 252 ? -15.233 -3.376 -8.551 1.00 56.90 ? 283 LEU A C 1 ATOM 1880 O O . LEU A 1 252 ? -14.151 -3.910 -8.812 1.00 55.71 ? 283 LEU A O 1 ATOM 1881 C CB . LEU A 1 252 ? -16.056 -4.890 -6.742 1.00 58.55 ? 283 LEU A CB 1 ATOM 1882 C CG . LEU A 1 252 ? -16.761 -5.117 -5.406 1.00 59.56 ? 283 LEU A CG 1 ATOM 1883 C CD1 . LEU A 1 252 ? -17.194 -6.543 -5.330 1.00 57.28 ? 283 LEU A CD1 1 ATOM 1884 C CD2 . LEU A 1 252 ? -15.881 -4.746 -4.215 1.00 61.14 ? 283 LEU A CD2 1 ATOM 1885 N N . LEU A 1 253 ? -15.956 -2.748 -9.474 1.00 57.35 ? 284 LEU A N 1 ATOM 1886 C CA . LEU A 1 253 ? -15.412 -2.469 -10.812 1.00 55.44 ? 284 LEU A CA 1 ATOM 1887 C C . LEU A 1 253 ? -14.905 -1.003 -10.929 1.00 57.29 ? 284 LEU A C 1 ATOM 1888 O O . LEU A 1 253 ? -15.283 -0.126 -10.128 1.00 60.08 ? 284 LEU A O 1 ATOM 1889 C CB . LEU A 1 253 ? -16.446 -2.796 -11.907 1.00 54.27 ? 284 LEU A CB 1 ATOM 1890 C CG . LEU A 1 253 ? -17.078 -4.198 -12.015 1.00 52.70 ? 284 LEU A CG 1 ATOM 1891 C CD1 . LEU A 1 253 ? -18.107 -4.230 -13.130 1.00 50.89 ? 284 LEU A CD1 1 ATOM 1892 C CD2 . LEU A 1 253 ? -16.066 -5.295 -12.278 1.00 46.48 ? 284 LEU A CD2 1 ATOM 1893 N N . LYS A 1 254 ? -14.063 -0.749 -11.926 1.00 56.53 ? 285 LYS A N 1 ATOM 1894 C CA . LYS A 1 254 ? -13.439 0.554 -12.154 1.00 58.69 ? 285 LYS A CA 1 ATOM 1895 C C . LYS A 1 254 ? -13.839 1.114 -13.517 1.00 58.56 ? 285 LYS A C 1 ATOM 1896 O O . LYS A 1 254 ? -13.911 0.358 -14.492 1.00 56.69 ? 285 LYS A O 1 ATOM 1897 C CB . LYS A 1 254 ? -11.911 0.415 -12.116 1.00 57.80 ? 285 LYS A CB 1 ATOM 1898 C CG . LYS A 1 254 ? -11.355 -0.183 -10.821 1.00 60.22 ? 285 LYS A CG 1 ATOM 1899 C CD . LYS A 1 254 ? -9.816 -0.146 -10.770 1.00 62.01 ? 285 LYS A CD 1 ATOM 1900 C CE . LYS A 1 254 ? -9.316 0.023 -9.310 1.00 64.93 ? 285 LYS A CE 1 ATOM 1901 N NZ . LYS A 1 254 ? -7.817 0.041 -9.207 1.00 63.12 ? 285 LYS A NZ 1 ATOM 1902 N N . ASP A 1 255 ? -14.057 2.435 -13.597 1.00 60.73 ? 286 ASP A N 1 ATOM 1903 C CA . ASP A 1 255 ? -14.501 3.096 -14.848 1.00 60.63 ? 286 ASP A CA 1 ATOM 1904 C C . ASP A 1 255 ? -15.609 2.282 -15.528 1.00 59.74 ? 286 ASP A C 1 ATOM 1905 O O . ASP A 1 255 ? -15.566 2.052 -16.740 1.00 57.75 ? 286 ASP A O 1 ATOM 1906 C CB . ASP A 1 255 ? -13.349 3.274 -15.857 1.00 58.66 ? 286 ASP A CB 1 ATOM 1907 C CG . ASP A 1 255 ? -12.202 4.129 -15.332 1.00 60.45 ? 286 ASP A CG 1 ATOM 1908 O OD1 . ASP A 1 255 ? -12.410 4.965 -14.450 1.00 60.22 ? 286 ASP A OD1 1 ATOM 1909 O OD2 . ASP A 1 255 ? -11.064 3.960 -15.834 1.00 63.24 ? 286 ASP A OD2 1 ATOM 1910 N N . HIS A 1 256 ? -16.595 1.847 -14.751 1.00 61.14 ? 287 HIS A N 1 ATOM 1911 C CA . HIS A 1 256 ? -17.627 0.952 -15.269 1.00 60.97 ? 287 HIS A CA 1 ATOM 1912 C C . HIS A 1 256 ? -19.051 1.547 -15.262 1.00 64.11 ? 287 HIS A C 1 ATOM 1913 O O . HIS A 1 256 ? -19.544 2.052 -14.231 1.00 65.98 ? 287 HIS A O 1 ATOM 1914 C CB . HIS A 1 256 ? -17.594 -0.384 -14.525 1.00 59.66 ? 287 HIS A CB 1 ATOM 1915 C CG . HIS A 1 256 ? -18.475 -1.433 -15.130 1.00 58.65 ? 287 HIS A CG 1 ATOM 1916 N ND1 . HIS A 1 256 ? -19.751 -1.691 -14.669 1.00 59.54 ? 287 HIS A ND1 1 ATOM 1917 C CD2 . HIS A 1 256 ? -18.269 -2.279 -16.170 1.00 52.51 ? 287 HIS A CD2 1 ATOM 1918 C CE1 . HIS A 1 256 ? -20.287 -2.659 -15.394 1.00 58.04 ? 287 HIS A CE1 1 ATOM 1919 N NE2 . HIS A 1 256 ? -19.407 -3.036 -16.307 1.00 53.35 ? 287 HIS A NE2 1 ATOM 1920 N N . SER A 1 257 ? -19.694 1.457 -16.431 1.00 64.59 ? 288 SER A N 1 ATOM 1921 C CA . SER A 1 257 ? -21.053 1.959 -16.670 1.00 67.46 ? 288 SER A CA 1 ATOM 1922 C C . SER A 1 257 ? -22.029 0.799 -16.906 1.00 67.26 ? 288 SER A C 1 ATOM 1923 O O . SER A 1 257 ? -21.642 -0.223 -17.440 1.00 64.27 ? 288 SER A O 1 ATOM 1924 C CB . SER A 1 257 ? -21.045 2.882 -17.894 1.00 67.98 ? 288 SER A CB 1 ATOM 1925 O OG . SER A 1 257 ? -22.358 3.148 -18.355 1.00 70.20 ? 288 SER A OG 1 ATOM 1926 N N . LEU A 1 258 ? -23.288 0.963 -16.493 1.00 70.34 ? 289 LEU A N 1 ATOM 1927 C CA . LEU A 1 258 ? -24.330 -0.004 -16.847 1.00 70.75 ? 289 LEU A CA 1 ATOM 1928 C C . LEU A 1 258 ? -24.728 0.168 -18.315 1.00 70.40 ? 289 LEU A C 1 ATOM 1929 O O . LEU A 1 258 ? -25.151 -0.771 -18.976 1.00 69.45 ? 289 LEU A O 1 ATOM 1930 C CB . LEU A 1 258 ? -25.560 0.132 -15.949 1.00 73.72 ? 289 LEU A CB 1 ATOM 1931 C CG . LEU A 1 258 ? -25.702 -0.594 -14.600 1.00 74.92 ? 289 LEU A CG 1 ATOM 1932 C CD1 . LEU A 1 258 ? -25.257 0.282 -13.448 1.00 75.08 ? 289 LEU A CD1 1 ATOM 1933 C CD2 . LEU A 1 258 ? -27.163 -0.997 -14.364 1.00 77.56 ? 289 LEU A CD2 1 ATOM 1934 N N . GLU A 1 259 ? -24.580 1.378 -18.826 1.00 71.53 ? 290 GLU A N 1 ATOM 1935 C CA . GLU A 1 259 ? -24.970 1.650 -20.198 1.00 71.77 ? 290 GLU A CA 1 ATOM 1936 C C . GLU A 1 259 ? -23.898 1.165 -21.121 1.00 68.22 ? 290 GLU A C 1 ATOM 1937 O O . GLU A 1 259 ? -24.173 0.780 -22.245 1.00 68.14 ? 290 GLU A O 1 ATOM 1938 C CB . GLU A 1 259 ? -25.273 3.135 -20.416 1.00 74.65 ? 290 GLU A CB 1 ATOM 1939 C CG . GLU A 1 259 ? -26.659 3.542 -19.921 1.00 78.61 ? 290 GLU A CG 1 ATOM 1940 C CD . GLU A 1 259 ? -26.770 3.572 -18.390 1.00 82.29 ? 290 GLU A CD 1 ATOM 1941 O OE1 . GLU A 1 259 ? -27.738 2.974 -17.867 1.00 84.76 ? 290 GLU A OE1 1 ATOM 1942 O OE2 . GLU A 1 259 ? -25.901 4.182 -17.713 1.00 80.68 ? 290 GLU A OE2 1 ATOM 1943 N N . GLY A 1 260 ? -22.668 1.166 -20.636 1.00 66.10 ? 291 GLY A N 1 ATOM 1944 C CA . GLY A 1 260 ? -21.583 0.536 -21.356 1.00 62.05 ? 291 GLY A CA 1 ATOM 1945 C C . GLY A 1 260 ? -21.168 -0.819 -20.788 1.00 59.52 ? 291 GLY A C 1 ATOM 1946 O O . GLY A 1 260 ? -19.979 -1.059 -20.573 1.00 57.90 ? 291 GLY A O 1 ATOM 1947 N N . ARG A 1 261 ? -22.116 -1.724 -20.558 1.00 59.08 ? 292 ARG A N 1 ATOM 1948 C CA . ARG A 1 261 ? -21.729 -3.067 -20.096 1.00 57.71 ? 292 ARG A CA 1 ATOM 1949 C C . ARG A 1 261 ? -21.013 -3.937 -21.162 1.00 54.26 ? 292 ARG A C 1 ATOM 1950 O O . ARG A 1 261 ? -21.191 -3.753 -22.358 1.00 54.17 ? 292 ARG A O 1 ATOM 1951 C CB . ARG A 1 261 ? -22.851 -3.831 -19.361 1.00 59.23 ? 292 ARG A CB 1 ATOM 1952 C CG . ARG A 1 261 ? -24.332 -3.432 -19.609 1.00 64.18 ? 292 ARG A CG 1 ATOM 1953 C CD . ARG A 1 261 ? -25.264 -4.362 -18.793 1.00 68.15 ? 292 ARG A CD 1 ATOM 1954 N NE . ARG A 1 261 ? -24.666 -5.702 -18.768 1.00 68.81 ? 292 ARG A NE 1 ATOM 1955 C CZ . ARG A 1 261 ? -24.765 -6.608 -17.787 1.00 69.73 ? 292 ARG A CZ 1 ATOM 1956 N NH1 . ARG A 1 261 ? -25.497 -6.388 -16.685 1.00 69.71 ? 292 ARG A NH1 1 ATOM 1957 N NH2 . ARG A 1 261 ? -24.114 -7.760 -17.931 1.00 65.78 ? 292 ARG A NH2 1 ATOM 1958 N N . TYR A 1 262 ? -20.167 -4.853 -20.703 1.00 51.88 ? 293 TYR A N 1 ATOM 1959 C CA . TYR A 1 262 ? -19.438 -5.754 -21.594 1.00 48.49 ? 293 TYR A CA 1 ATOM 1960 C C . TYR A 1 262 ? -20.363 -6.848 -22.090 1.00 47.96 ? 293 TYR A C 1 ATOM 1961 O O . TYR A 1 262 ? -20.348 -7.191 -23.274 1.00 46.85 ? 293 TYR A O 1 ATOM 1962 C CB . TYR A 1 262 ? -18.245 -6.375 -20.864 1.00 46.37 ? 293 TYR A CB 1 ATOM 1963 C CG . TYR A 1 262 ? -17.381 -5.387 -20.125 1.00 44.61 ? 293 TYR A CG 1 ATOM 1964 C CD1 . TYR A 1 262 ? -16.945 -4.222 -20.741 1.00 44.06 ? 293 TYR A CD1 1 ATOM 1965 C CD2 . TYR A 1 262 ? -16.994 -5.633 -18.801 1.00 45.52 ? 293 TYR A CD2 1 ATOM 1966 C CE1 . TYR A 1 262 ? -16.129 -3.303 -20.060 1.00 45.37 ? 293 TYR A CE1 1 ATOM 1967 C CE2 . TYR A 1 262 ? -16.193 -4.725 -18.092 1.00 44.38 ? 293 TYR A CE2 1 ATOM 1968 C CZ . TYR A 1 262 ? -15.762 -3.562 -18.736 1.00 46.28 ? 293 TYR A CZ 1 ATOM 1969 O OH . TYR A 1 262 ? -14.955 -2.674 -18.064 1.00 43.27 ? 293 TYR A OH 1 ATOM 1970 N N . PHE A 1 263 ? -21.157 -7.369 -21.161 1.00 48.50 ? 294 PHE A N 1 ATOM 1971 C CA . PHE A 1 263 ? -22.064 -8.486 -21.393 1.00 49.81 ? 294 PHE A CA 1 ATOM 1972 C C . PHE A 1 263 ? -23.531 -8.065 -21.625 1.00 53.45 ? 294 PHE A C 1 ATOM 1973 O O . PHE A 1 263 ? -24.316 -7.909 -20.708 1.00 55.11 ? 294 PHE A O 1 ATOM 1974 C CB . PHE A 1 263 ? -21.869 -9.542 -20.296 1.00 48.26 ? 294 PHE A CB 1 ATOM 1975 C CG . PHE A 1 263 ? -20.458 -10.083 -20.258 1.00 45.27 ? 294 PHE A CG 1 ATOM 1976 C CD1 . PHE A 1 263 ? -19.962 -10.845 -21.325 1.00 39.68 ? 294 PHE A CD1 1 ATOM 1977 C CD2 . PHE A 1 263 ? -19.603 -9.783 -19.198 1.00 44.66 ? 294 PHE A CD2 1 ATOM 1978 C CE1 . PHE A 1 263 ? -18.654 -11.327 -21.313 1.00 40.95 ? 294 PHE A CE1 1 ATOM 1979 C CE2 . PHE A 1 263 ? -18.265 -10.259 -19.181 1.00 41.95 ? 294 PHE A CE2 1 ATOM 1980 C CZ . PHE A 1 263 ? -17.791 -11.033 -20.232 1.00 40.33 ? 294 PHE A CZ 1 ATOM 1981 N N . GLN A 1 264 ? -23.858 -7.914 -22.902 1.00 55.91 ? 295 GLN A N 1 ATOM 1982 C CA . GLN A 1 264 ? -25.093 -7.323 -23.379 1.00 60.60 ? 295 GLN A CA 1 ATOM 1983 C C . GLN A 1 264 ? -26.188 -8.342 -23.662 1.00 62.24 ? 295 GLN A C 1 ATOM 1984 O O . GLN A 1 264 ? -25.922 -9.502 -23.946 1.00 61.12 ? 295 GLN A O 1 ATOM 1985 C CB . GLN A 1 264 ? -24.805 -6.525 -24.666 1.00 61.13 ? 295 GLN A CB 1 ATOM 1986 C CG . GLN A 1 264 ? -23.745 -7.155 -25.627 1.00 61.46 ? 295 GLN A CG 1 ATOM 1987 C CD . GLN A 1 264 ? -23.721 -6.504 -27.039 1.00 66.69 ? 295 GLN A CD 1 ATOM 1988 O OE1 . GLN A 1 264 ? -23.530 -7.188 -28.059 1.00 67.36 ? 295 GLN A OE1 1 ATOM 1989 N NE2 . GLN A 1 264 ? -23.927 -5.185 -27.094 1.00 68.42 ? 295 GLN A NE2 1 ATOM 1990 N N . ASN A 1 265 ? -27.428 -7.883 -23.585 1.00 66.49 ? 296 ASN A N 1 ATOM 1991 C CA . ASN A 1 265 ? -28.573 -8.661 -24.037 1.00 69.27 ? 296 ASN A CA 1 ATOM 1992 C C . ASN A 1 265 ? -28.651 -8.757 -25.562 1.00 69.67 ? 296 ASN A C 1 ATOM 1993 O O . ASN A 1 265 ? -29.701 -8.478 -26.151 1.00 72.29 ? 296 ASN A O 1 ATOM 1994 C CB . ASN A 1 265 ? -29.876 -8.068 -23.486 1.00 72.35 ? 296 ASN A CB 1 ATOM 1995 C CG . ASN A 1 265 ? -30.471 -8.903 -22.372 1.00 74.25 ? 296 ASN A CG 1 ATOM 1996 O OD1 . ASN A 1 265 ? -29.834 -9.831 -21.879 1.00 74.50 ? 296 ASN A OD1 1 ATOM 1997 N ND2 . ASN A 1 265 ? -31.701 -8.587 -21.975 1.00 77.65 ? 296 ASN A ND2 1 ATOM 1998 N N . TYR A 1 266 ? -27.548 -9.151 -26.194 1.00 67.88 ? 297 TYR A N 1 ATOM 1999 C CA . TYR A 1 266 ? -27.505 -9.270 -27.645 1.00 68.47 ? 297 TYR A CA 1 ATOM 2000 C C . TYR A 1 266 ? -27.085 -10.666 -28.121 1.00 66.51 ? 297 TYR A C 1 ATOM 2001 O O . TYR A 1 266 ? -26.088 -11.207 -27.658 1.00 63.47 ? 297 TYR A O 1 ATOM 2002 C CB . TYR A 1 266 ? -26.578 -8.210 -28.262 1.00 68.36 ? 297 TYR A CB 1 ATOM 2003 C CG . TYR A 1 266 ? -26.608 -8.216 -29.785 1.00 71.27 ? 297 TYR A CG 1 ATOM 2004 C CD1 . TYR A 1 266 ? -27.833 -8.158 -30.477 1.00 77.12 ? 297 TYR A CD1 1 ATOM 2005 C CD2 . TYR A 1 266 ? -25.424 -8.277 -30.539 1.00 72.02 ? 297 TYR A CD2 1 ATOM 2006 C CE1 . TYR A 1 266 ? -27.892 -8.172 -31.895 1.00 78.96 ? 297 TYR A CE1 1 ATOM 2007 C CE2 . TYR A 1 266 ? -25.461 -8.295 -31.961 1.00 74.44 ? 297 TYR A CE2 1 ATOM 2008 C CZ . TYR A 1 266 ? -26.710 -8.237 -32.633 1.00 77.64 ? 297 TYR A CZ 1 ATOM 2009 O OH . TYR A 1 266 ? -26.785 -8.252 -34.021 1.00 77.41 ? 297 TYR A OH 1 ATOM 2010 N N . SER A 1 267 ? -27.868 -11.232 -29.041 1.00 67.61 ? 298 SER A N 1 ATOM 2011 C CA . SER A 1 267 ? -27.511 -12.466 -29.746 1.00 66.40 ? 298 SER A CA 1 ATOM 2012 C C . SER A 1 267 ? -26.714 -12.100 -31.003 1.00 65.17 ? 298 SER A C 1 ATOM 2013 O O . SER A 1 267 ? -26.883 -11.001 -31.522 1.00 66.66 ? 298 SER A O 1 ATOM 2014 C CB . SER A 1 267 ? -28.772 -13.265 -30.106 1.00 68.42 ? 298 SER A CB 1 ATOM 2015 O OG . SER A 1 267 ? -29.741 -12.444 -30.735 1.00 71.87 ? 298 SER A OG 1 ATOM 2016 N N . TYR A 1 268 ? -25.849 -12.995 -31.491 1.00 62.18 ? 299 TYR A N 1 ATOM 2017 C CA . TYR A 1 268 ? -25.068 -12.696 -32.703 1.00 60.68 ? 299 TYR A CA 1 ATOM 2018 C C . TYR A 1 268 ? -25.558 -13.474 -33.931 1.00 60.28 ? 299 TYR A C 1 ATOM 2019 O O . TYR A 1 268 ? -25.895 -14.643 -33.830 1.00 60.40 ? 299 TYR A O 1 ATOM 2020 C CB . TYR A 1 268 ? -23.561 -12.895 -32.467 1.00 58.62 ? 299 TYR A CB 1 ATOM 2021 C CG . TYR A 1 268 ? -22.704 -12.559 -33.674 1.00 59.72 ? 299 TYR A CG 1 ATOM 2022 C CD1 . TYR A 1 268 ? -22.293 -11.243 -33.928 1.00 62.84 ? 299 TYR A CD1 1 ATOM 2023 C CD2 . TYR A 1 268 ? -22.305 -13.551 -34.564 1.00 60.76 ? 299 TYR A CD2 1 ATOM 2024 C CE1 . TYR A 1 268 ? -21.513 -10.929 -35.056 1.00 63.01 ? 299 TYR A CE1 1 ATOM 2025 C CE2 . TYR A 1 268 ? -21.518 -13.246 -35.674 1.00 62.33 ? 299 TYR A CE2 1 ATOM 2026 C CZ . TYR A 1 268 ? -21.141 -11.942 -35.922 1.00 62.46 ? 299 TYR A CZ 1 ATOM 2027 O OH . TYR A 1 268 ? -20.375 -11.678 -37.028 1.00 62.39 ? 299 TYR A OH 1 ATOM 2028 N N . GLY A 1 269 ? -25.579 -12.830 -35.091 1.00 59.86 ? 300 GLY A N 1 ATOM 2029 C CA . GLY A 1 269 ? -26.272 -13.383 -36.236 1.00 59.97 ? 300 GLY A CA 1 ATOM 2030 C C . GLY A 1 269 ? -25.411 -14.020 -37.293 1.00 58.10 ? 300 GLY A C 1 ATOM 2031 O O . GLY A 1 269 ? -25.930 -14.528 -38.294 1.00 58.89 ? 300 GLY A O 1 ATOM 2032 N N . GLY A 1 270 ? -24.097 -14.005 -37.081 1.00 55.12 ? 301 GLY A N 1 ATOM 2033 C CA . GLY A 1 270 ? -23.155 -14.671 -37.991 1.00 52.61 ? 301 GLY A CA 1 ATOM 2034 C C . GLY A 1 270 ? -22.407 -15.829 -37.344 1.00 49.58 ? 301 GLY A C 1 ATOM 2035 O O . GLY A 1 270 ? -22.684 -16.213 -36.205 1.00 49.62 ? 301 GLY A O 1 ATOM 2036 N N . VAL A 1 271 ? -21.454 -16.392 -38.072 1.00 46.71 ? 302 VAL A N 1 ATOM 2037 C CA . VAL A 1 271 ? -20.618 -17.456 -37.530 1.00 43.16 ? 302 VAL A CA 1 ATOM 2038 C C . VAL A 1 271 ? -19.194 -16.919 -37.456 1.00 40.27 ? 302 VAL A C 1 ATOM 2039 O O . VAL A 1 271 ? -18.663 -16.467 -38.468 1.00 40.37 ? 302 VAL A O 1 ATOM 2040 C CB . VAL A 1 271 ? -20.649 -18.697 -38.446 1.00 43.15 ? 302 VAL A CB 1 ATOM 2041 C CG1 . VAL A 1 271 ? -19.741 -19.785 -37.924 1.00 42.30 ? 302 VAL A CG1 1 ATOM 2042 C CG2 . VAL A 1 271 ? -22.088 -19.205 -38.609 1.00 45.75 ? 302 VAL A CG2 1 ATOM 2043 N N . ILE A 1 272 ? -18.595 -16.965 -36.273 1.00 37.35 ? 303 ILE A N 1 ATOM 2044 C CA . ILE A 1 272 ? -17.169 -16.646 -36.107 1.00 36.03 ? 303 ILE A CA 1 ATOM 2045 C C . ILE A 1 272 ? -16.262 -17.883 -36.051 1.00 34.19 ? 303 ILE A C 1 ATOM 2046 O O . ILE A 1 272 ? -16.445 -18.721 -35.184 1.00 33.27 ? 303 ILE A O 1 ATOM 2047 C CB . ILE A 1 272 ? -16.921 -15.918 -34.755 1.00 35.06 ? 303 ILE A CB 1 ATOM 2048 C CG1 . ILE A 1 272 ? -17.847 -14.716 -34.633 1.00 35.37 ? 303 ILE A CG1 1 ATOM 2049 C CG2 . ILE A 1 272 ? -15.373 -15.589 -34.582 1.00 33.25 ? 303 ILE A CG2 1 ATOM 2050 C CD1 . ILE A 1 272 ? -17.168 -13.468 -34.311 1.00 41.29 ? 303 ILE A CD1 1 ATOM 2051 N N . GLN A 1 273 ? -15.267 -17.951 -36.936 1.00 34.11 ? 304 GLN A N 1 ATOM 2052 C CA . GLN A 1 273 ? -14.146 -18.935 -36.860 1.00 32.05 ? 304 GLN A CA 1 ATOM 2053 C C . GLN A 1 273 ? -13.162 -18.628 -35.738 1.00 30.88 ? 304 GLN A C 1 ATOM 2054 O O . GLN A 1 273 ? -12.618 -17.535 -35.646 1.00 30.76 ? 304 GLN A O 1 ATOM 2055 C CB . GLN A 1 273 ? -13.343 -18.957 -38.176 1.00 31.90 ? 304 GLN A CB 1 ATOM 2056 C CG . GLN A 1 273 ? -14.099 -19.513 -39.437 1.00 35.88 ? 304 GLN A CG 1 ATOM 2057 C CD . GLN A 1 273 ? -14.795 -20.865 -39.141 1.00 41.62 ? 304 GLN A CD 1 ATOM 2058 O OE1 . GLN A 1 273 ? -14.178 -21.822 -38.619 1.00 39.93 ? 304 GLN A OE1 1 ATOM 2059 N NE2 . GLN A 1 273 ? -16.092 -20.927 -39.433 1.00 44.86 ? 304 GLN A NE2 1 ATOM 2060 N N . ASP A 1 274 ? -12.870 -19.639 -34.940 1.00 29.98 ? 305 ASP A N 1 ATOM 2061 C CA . ASP A 1 274 ? -11.913 -19.522 -33.839 1.00 29.07 ? 305 ASP A CA 1 ATOM 2062 C C . ASP A 1 274 ? -11.631 -20.943 -33.300 1.00 27.13 ? 305 ASP A C 1 ATOM 2063 O O . ASP A 1 274 ? -12.236 -21.909 -33.749 1.00 27.74 ? 305 ASP A O 1 ATOM 2064 C CB . ASP A 1 274 ? -12.485 -18.590 -32.772 1.00 30.05 ? 305 ASP A CB 1 ATOM 2065 C CG . ASP A 1 274 ? -11.400 -17.988 -31.838 1.00 27.13 ? 305 ASP A CG 1 ATOM 2066 O OD1 . ASP A 1 274 ? -10.209 -18.350 -31.909 1.00 29.22 ? 305 ASP A OD1 1 ATOM 2067 O OD2 . ASP A 1 274 ? -11.758 -17.100 -31.051 1.00 25.30 ? 305 ASP A OD2 1 ATOM 2068 N N . ASP A 1 275 ? -10.710 -21.067 -32.349 1.00 27.38 ? 306 ASP A N 1 ATOM 2069 C CA . ASP A 1 275 ? -10.367 -22.338 -31.714 1.00 25.46 ? 306 ASP A CA 1 ATOM 2070 C C . ASP A 1 275 ? -11.505 -23.211 -31.198 1.00 25.62 ? 306 ASP A C 1 ATOM 2071 O O . ASP A 1 275 ? -11.321 -24.412 -31.010 1.00 24.15 ? 306 ASP A O 1 ATOM 2072 C CB . ASP A 1 275 ? -9.343 -22.114 -30.608 1.00 25.89 ? 306 ASP A CB 1 ATOM 2073 C CG . ASP A 1 275 ? -7.962 -21.686 -31.148 1.00 23.70 ? 306 ASP A CG 1 ATOM 2074 O OD1 . ASP A 1 275 ? -7.545 -22.191 -32.217 1.00 28.33 ? 306 ASP A OD1 1 ATOM 2075 O OD2 . ASP A 1 275 ? -7.302 -20.811 -30.502 1.00 28.22 ? 306 ASP A OD2 1 ATOM 2076 N N . HIS A 1 276 ? -12.689 -22.629 -30.988 1.00 25.85 ? 307 HIS A N 1 ATOM 2077 C CA . HIS A 1 276 ? -13.848 -23.410 -30.448 1.00 26.69 ? 307 HIS A CA 1 ATOM 2078 C C . HIS A 1 276 ? -14.473 -24.211 -31.563 1.00 24.84 ? 307 HIS A C 1 ATOM 2079 O O . HIS A 1 276 ? -15.070 -25.229 -31.342 1.00 27.15 ? 307 HIS A O 1 ATOM 2080 C CB . HIS A 1 276 ? -14.913 -22.482 -29.878 1.00 27.49 ? 307 HIS A CB 1 ATOM 2081 C CG . HIS A 1 276 ? -15.607 -21.672 -30.924 1.00 26.22 ? 307 HIS A CG 1 ATOM 2082 N ND1 . HIS A 1 276 ? -14.963 -20.710 -31.669 1.00 21.44 ? 307 HIS A ND1 1 ATOM 2083 C CD2 . HIS A 1 276 ? -16.884 -21.691 -31.357 1.00 26.42 ? 307 HIS A CD2 1 ATOM 2084 C CE1 . HIS A 1 276 ? -15.809 -20.189 -32.530 1.00 26.82 ? 307 HIS A CE1 1 ATOM 2085 N NE2 . HIS A 1 276 ? -16.983 -20.761 -32.353 1.00 26.84 ? 307 HIS A NE2 1 ATOM 2086 N N . ILE A 1 277 ? -14.316 -23.745 -32.774 1.00 24.75 ? 308 ILE A N 1 ATOM 2087 C CA . ILE A 1 277 ? -14.872 -24.422 -33.926 1.00 23.56 ? 308 ILE A CA 1 ATOM 2088 C C . ILE A 1 277 ? -14.759 -25.960 -33.872 1.00 23.83 ? 308 ILE A C 1 ATOM 2089 O O . ILE A 1 277 ? -15.784 -26.643 -34.011 1.00 25.19 ? 308 ILE A O 1 ATOM 2090 C CB . ILE A 1 277 ? -14.389 -23.806 -35.265 1.00 23.03 ? 308 ILE A CB 1 ATOM 2091 C CG1 . ILE A 1 277 ? -15.071 -22.469 -35.509 1.00 26.42 ? 308 ILE A CG1 1 ATOM 2092 C CG2 . ILE A 1 277 ? -14.756 -24.757 -36.467 1.00 26.05 ? 308 ILE A CG2 1 ATOM 2093 C CD1 . ILE A 1 277 ? -16.698 -22.528 -35.548 1.00 23.12 ? 308 ILE A CD1 1 ATOM 2094 N N . PRO A 1 278 ? -13.522 -26.538 -33.707 1.00 23.23 ? 309 PRO A N 1 ATOM 2095 C CA . PRO A 1 278 ? -13.497 -28.045 -33.750 1.00 22.64 ? 309 PRO A CA 1 ATOM 2096 C C . PRO A 1 278 ? -14.025 -28.776 -32.514 1.00 22.74 ? 309 PRO A C 1 ATOM 2097 O O . PRO A 1 278 ? -14.406 -29.978 -32.612 1.00 23.37 ? 309 PRO A O 1 ATOM 2098 C CB . PRO A 1 278 ? -12.008 -28.397 -33.946 1.00 22.41 ? 309 PRO A CB 1 ATOM 2099 C CG . PRO A 1 278 ? -11.220 -27.110 -33.654 1.00 22.20 ? 309 PRO A CG 1 ATOM 2100 C CD . PRO A 1 278 ? -12.191 -25.942 -33.942 1.00 20.10 ? 309 PRO A CD 1 ATOM 2101 N N . PHE A 1 279 ? -13.995 -28.112 -31.355 1.00 23.05 ? 310 PHE A N 1 ATOM 2102 C CA . PHE A 1 279 ? -14.751 -28.592 -30.189 1.00 23.90 ? 310 PHE A CA 1 ATOM 2103 C C . PHE A 1 279 ? -16.280 -28.442 -30.330 1.00 25.09 ? 310 PHE A C 1 ATOM 2104 O O . PHE A 1 279 ? -17.017 -29.388 -30.126 1.00 24.93 ? 310 PHE A O 1 ATOM 2105 C CB . PHE A 1 279 ? -14.266 -27.865 -28.947 1.00 22.67 ? 310 PHE A CB 1 ATOM 2106 C CG . PHE A 1 279 ? -12.831 -28.108 -28.673 1.00 24.74 ? 310 PHE A CG 1 ATOM 2107 C CD1 . PHE A 1 279 ? -11.865 -27.254 -29.197 1.00 24.82 ? 310 PHE A CD1 1 ATOM 2108 C CD2 . PHE A 1 279 ? -12.438 -29.236 -27.987 1.00 21.73 ? 310 PHE A CD2 1 ATOM 2109 C CE1 . PHE A 1 279 ? -10.537 -27.513 -29.026 1.00 24.22 ? 310 PHE A CE1 1 ATOM 2110 C CE2 . PHE A 1 279 ? -11.131 -29.485 -27.798 1.00 21.75 ? 310 PHE A CE2 1 ATOM 2111 C CZ . PHE A 1 279 ? -10.152 -28.610 -28.311 1.00 20.62 ? 310 PHE A CZ 1 ATOM 2112 N N . LEU A 1 280 ? -16.743 -27.242 -30.688 1.00 27.11 ? 311 LEU A N 1 ATOM 2113 C CA . LEU A 1 280 ? -18.208 -26.995 -30.870 1.00 28.86 ? 311 LEU A CA 1 ATOM 2114 C C . LEU A 1 280 ? -18.836 -28.012 -31.815 1.00 29.59 ? 311 LEU A C 1 ATOM 2115 O O . LEU A 1 280 ? -19.789 -28.683 -31.426 1.00 30.07 ? 311 LEU A O 1 ATOM 2116 C CB . LEU A 1 280 ? -18.506 -25.576 -31.391 1.00 29.22 ? 311 LEU A CB 1 ATOM 2117 C CG . LEU A 1 280 ? -19.954 -25.047 -31.477 1.00 29.62 ? 311 LEU A CG 1 ATOM 2118 C CD1 . LEU A 1 280 ? -20.301 -24.403 -30.183 1.00 26.02 ? 311 LEU A CD1 1 ATOM 2119 C CD2 . LEU A 1 280 ? -20.167 -24.021 -32.639 1.00 26.34 ? 311 LEU A CD2 1 ATOM 2120 N N . ARG A 1 281 ? -18.327 -28.113 -33.052 1.00 29.37 ? 312 ARG A N 1 ATOM 2121 C CA . ARG A 1 281 ? -18.883 -29.040 -34.040 1.00 29.40 ? 312 ARG A CA 1 ATOM 2122 C C . ARG A 1 281 ? -18.765 -30.536 -33.642 1.00 29.75 ? 312 ARG A C 1 ATOM 2123 O O . ARG A 1 281 ? -19.245 -31.380 -34.328 1.00 31.34 ? 312 ARG A O 1 ATOM 2124 C CB . ARG A 1 281 ? -18.270 -28.816 -35.443 1.00 29.05 ? 312 ARG A CB 1 ATOM 2125 C CG . ARG A 1 281 ? -16.804 -29.266 -35.522 1.00 28.50 ? 312 ARG A CG 1 ATOM 2126 C CD . ARG A 1 281 ? -16.191 -28.940 -36.950 1.00 27.51 ? 312 ARG A CD 1 ATOM 2127 N NE . ARG A 1 281 ? -14.871 -29.567 -37.084 1.00 23.71 ? 312 ARG A NE 1 ATOM 2128 C CZ . ARG A 1 281 ? -14.671 -30.841 -37.419 1.00 26.18 ? 312 ARG A CZ 1 ATOM 2129 N NH1 . ARG A 1 281 ? -13.450 -31.311 -37.483 1.00 25.05 ? 312 ARG A NH1 1 ATOM 2130 N NH2 . ARG A 1 281 ? -15.697 -31.647 -37.687 1.00 28.98 ? 312 ARG A NH2 1 ATOM 2131 N N . ARG A 1 282 ? -18.150 -30.851 -32.504 1.00 30.84 ? 313 ARG A N 1 ATOM 2132 C CA . ARG A 1 282 ? -18.159 -32.222 -31.959 1.00 30.67 ? 313 ARG A CA 1 ATOM 2133 C C . ARG A 1 282 ? -19.080 -32.277 -30.721 1.00 32.00 ? 313 ARG A C 1 ATOM 2134 O O . ARG A 1 282 ? -19.131 -33.297 -30.005 1.00 32.69 ? 313 ARG A O 1 ATOM 2135 C CB . ARG A 1 282 ? -16.722 -32.700 -31.636 1.00 29.10 ? 313 ARG A CB 1 ATOM 2136 C CG . ARG A 1 282 ? -15.885 -33.159 -32.858 1.00 26.79 ? 313 ARG A CG 1 ATOM 2137 C CD . ARG A 1 282 ? -14.445 -33.608 -32.372 1.00 24.97 ? 313 ARG A CD 1 ATOM 2138 N NE . ARG A 1 282 ? -13.562 -34.042 -33.449 1.00 27.50 ? 313 ARG A NE 1 ATOM 2139 C CZ . ARG A 1 282 ? -12.847 -33.267 -34.256 1.00 28.98 ? 313 ARG A CZ 1 ATOM 2140 N NH1 . ARG A 1 282 ? -12.939 -31.946 -34.179 1.00 28.60 ? 313 ARG A NH1 1 ATOM 2141 N NH2 . ARG A 1 282 ? -12.096 -33.822 -35.212 1.00 28.08 ? 313 ARG A NH2 1 ATOM 2142 N N . GLY A 1 283 ? -19.806 -31.177 -30.474 1.00 30.84 ? 314 GLY A N 1 ATOM 2143 C CA . GLY A 1 283 ? -20.831 -31.162 -29.467 1.00 31.28 ? 314 GLY A CA 1 ATOM 2144 C C . GLY A 1 283 ? -20.411 -30.618 -28.110 1.00 31.55 ? 314 GLY A C 1 ATOM 2145 O O . GLY A 1 283 ? -21.195 -30.638 -27.179 1.00 31.67 ? 314 GLY A O 1 ATOM 2146 N N . VAL A 1 284 ? -19.204 -30.062 -27.996 1.00 30.66 ? 315 VAL A N 1 ATOM 2147 C CA . VAL A 1 284 ? -18.780 -29.441 -26.746 1.00 30.21 ? 315 VAL A CA 1 ATOM 2148 C C . VAL A 1 284 ? -19.528 -28.108 -26.595 1.00 30.54 ? 315 VAL A C 1 ATOM 2149 O O . VAL A 1 284 ? -19.499 -27.318 -27.517 1.00 32.35 ? 315 VAL A O 1 ATOM 2150 C CB . VAL A 1 284 ? -17.278 -29.149 -26.827 1.00 29.19 ? 315 VAL A CB 1 ATOM 2151 C CG1 . VAL A 1 284 ? -16.773 -28.516 -25.535 1.00 28.55 ? 315 VAL A CG1 1 ATOM 2152 C CG2 . VAL A 1 284 ? -16.514 -30.433 -27.116 1.00 30.25 ? 315 VAL A CG2 1 ATOM 2153 N N . PRO A 1 285 ? -20.160 -27.830 -25.446 1.00 32.32 ? 316 PRO A N 1 ATOM 2154 C CA . PRO A 1 285 ? -20.731 -26.481 -25.346 1.00 33.13 ? 316 PRO A CA 1 ATOM 2155 C C . PRO A 1 285 ? -19.648 -25.394 -25.256 1.00 31.77 ? 316 PRO A C 1 ATOM 2156 O O . PRO A 1 285 ? -18.589 -25.602 -24.614 1.00 31.02 ? 316 PRO A O 1 ATOM 2157 C CB . PRO A 1 285 ? -21.519 -26.502 -24.006 1.00 34.20 ? 316 PRO A CB 1 ATOM 2158 C CG . PRO A 1 285 ? -21.160 -27.721 -23.330 1.00 35.29 ? 316 PRO A CG 1 ATOM 2159 C CD . PRO A 1 285 ? -20.167 -28.518 -24.139 1.00 32.45 ? 316 PRO A CD 1 ATOM 2160 N N . VAL A 1 286 ? -19.943 -24.250 -25.866 1.00 30.97 ? 317 VAL A N 1 ATOM 2161 C CA . VAL A 1 286 ? -19.019 -23.112 -25.926 1.00 29.86 ? 317 VAL A CA 1 ATOM 2162 C C . VAL A 1 286 ? -19.595 -21.777 -25.452 1.00 31.71 ? 317 VAL A C 1 ATOM 2163 O O . VAL A 1 286 ? -20.723 -21.368 -25.861 1.00 33.10 ? 317 VAL A O 1 ATOM 2164 C CB . VAL A 1 286 ? -18.461 -22.901 -27.373 1.00 28.00 ? 317 VAL A CB 1 ATOM 2165 C CG1 . VAL A 1 286 ? -17.438 -21.755 -27.343 1.00 28.26 ? 317 VAL A CG1 1 ATOM 2166 C CG2 . VAL A 1 286 ? -17.752 -24.161 -27.855 1.00 25.15 ? 317 VAL A CG2 1 ATOM 2167 N N . LEU A 1 287 ? -18.783 -21.087 -24.631 1.00 31.90 ? 318 LEU A N 1 ATOM 2168 C CA . LEU A 1 287 ? -19.054 -19.724 -24.092 1.00 32.21 ? 318 LEU A CA 1 ATOM 2169 C C . LEU A 1 287 ? -17.922 -18.921 -24.716 1.00 30.78 ? 318 LEU A C 1 ATOM 2170 O O . LEU A 1 287 ? -16.768 -19.057 -24.346 1.00 30.49 ? 318 LEU A O 1 ATOM 2171 C CB . LEU A 1 287 ? -18.979 -19.691 -22.554 1.00 32.48 ? 318 LEU A CB 1 ATOM 2172 C CG . LEU A 1 287 ? -19.237 -18.406 -21.727 1.00 33.62 ? 318 LEU A CG 1 ATOM 2173 C CD1 . LEU A 1 287 ? -20.604 -17.798 -22.011 1.00 33.98 ? 318 LEU A CD1 1 ATOM 2174 C CD2 . LEU A 1 287 ? -19.162 -18.716 -20.270 1.00 34.30 ? 318 LEU A CD2 1 ATOM 2175 N N . HIS A 1 288 ? -18.230 -18.129 -25.719 1.00 30.44 ? 319 HIS A N 1 ATOM 2176 C CA . HIS A 1 288 ? -17.159 -17.583 -26.544 1.00 29.38 ? 319 HIS A CA 1 ATOM 2177 C C . HIS A 1 288 ? -16.986 -16.125 -26.171 1.00 29.32 ? 319 HIS A C 1 ATOM 2178 O O . HIS A 1 288 ? -17.778 -15.294 -26.581 1.00 31.53 ? 319 HIS A O 1 ATOM 2179 C CB . HIS A 1 288 ? -17.539 -17.762 -28.003 1.00 28.61 ? 319 HIS A CB 1 ATOM 2180 C CG . HIS A 1 288 ? -16.419 -17.544 -28.945 1.00 28.91 ? 319 HIS A CG 1 ATOM 2181 N ND1 . HIS A 1 288 ? -16.592 -17.598 -30.310 1.00 27.86 ? 319 HIS A ND1 1 ATOM 2182 C CD2 . HIS A 1 288 ? -15.104 -17.280 -28.731 1.00 27.32 ? 319 HIS A CD2 1 ATOM 2183 C CE1 . HIS A 1 288 ? -15.427 -17.387 -30.902 1.00 28.01 ? 319 HIS A CE1 1 ATOM 2184 N NE2 . HIS A 1 288 ? -14.516 -17.179 -29.966 1.00 25.26 ? 319 HIS A NE2 1 ATOM 2185 N N . LEU A 1 289 ? -15.980 -15.831 -25.349 1.00 28.45 ? 320 LEU A N 1 ATOM 2186 C CA . LEU A 1 289 ? -15.670 -14.474 -24.926 1.00 28.13 ? 320 LEU A CA 1 ATOM 2187 C C . LEU A 1 289 ? -14.795 -13.799 -26.001 1.00 26.49 ? 320 LEU A C 1 ATOM 2188 O O . LEU A 1 289 ? -13.616 -13.504 -25.809 1.00 24.59 ? 320 LEU A O 1 ATOM 2189 C CB . LEU A 1 289 ? -14.999 -14.487 -23.545 1.00 27.39 ? 320 LEU A CB 1 ATOM 2190 C CG . LEU A 1 289 ? -15.701 -15.325 -22.438 1.00 30.20 ? 320 LEU A CG 1 ATOM 2191 C CD1 . LEU A 1 289 ? -15.154 -14.989 -21.020 1.00 29.86 ? 320 LEU A CD1 1 ATOM 2192 C CD2 . LEU A 1 289 ? -17.161 -15.147 -22.406 1.00 31.86 ? 320 LEU A CD2 1 ATOM 2193 N N . ILE A 1 290 ? -15.383 -13.612 -27.173 1.00 27.85 ? 321 ILE A N 1 ATOM 2194 C CA . ILE A 1 290 ? -14.835 -12.715 -28.182 1.00 27.35 ? 321 ILE A CA 1 ATOM 2195 C C . ILE A 1 290 ? -15.875 -11.552 -28.363 1.00 30.79 ? 321 ILE A C 1 ATOM 2196 O O . ILE A 1 290 ? -17.101 -11.814 -28.481 1.00 32.39 ? 321 ILE A O 1 ATOM 2197 C CB . ILE A 1 290 ? -14.560 -13.505 -29.490 1.00 27.66 ? 321 ILE A CB 1 ATOM 2198 C CG1 . ILE A 1 290 ? -13.767 -12.692 -30.520 1.00 24.90 ? 321 ILE A CG1 1 ATOM 2199 C CG2 . ILE A 1 290 ? -15.839 -14.028 -30.105 1.00 23.80 ? 321 ILE A CG2 1 ATOM 2200 C CD1 . ILE A 1 290 ? -13.311 -13.542 -31.649 1.00 25.62 ? 321 ILE A CD1 1 ATOM 2201 N N . PRO A 1 291 ? -15.419 -10.270 -28.341 1.00 30.93 ? 322 PRO A N 1 ATOM 2202 C CA . PRO A 1 291 ? -16.335 -9.163 -28.549 1.00 32.02 ? 322 PRO A CA 1 ATOM 2203 C C . PRO A 1 291 ? -16.722 -9.052 -30.017 1.00 32.82 ? 322 PRO A C 1 ATOM 2204 O O . PRO A 1 291 ? -16.018 -9.568 -30.865 1.00 31.46 ? 322 PRO A O 1 ATOM 2205 C CB . PRO A 1 291 ? -15.499 -7.929 -28.195 1.00 32.00 ? 322 PRO A CB 1 ATOM 2206 C CG . PRO A 1 291 ? -14.099 -8.335 -28.355 1.00 31.32 ? 322 PRO A CG 1 ATOM 2207 C CD . PRO A 1 291 ? -14.014 -9.826 -28.329 1.00 30.04 ? 322 PRO A CD 1 ATOM 2208 N N . SER A 1 292 ? -17.844 -8.385 -30.270 1.00 35.12 ? 323 SER A N 1 ATOM 2209 C CA . SER A 1 292 ? -18.242 -7.998 -31.587 1.00 37.47 ? 323 SER A CA 1 ATOM 2210 C C . SER A 1 292 ? -18.780 -6.612 -31.331 1.00 39.62 ? 323 SER A C 1 ATOM 2211 O O . SER A 1 292 ? -19.692 -6.442 -30.505 1.00 41.92 ? 323 SER A O 1 ATOM 2212 C CB . SER A 1 292 ? -19.325 -8.916 -32.149 1.00 38.45 ? 323 SER A CB 1 ATOM 2213 O OG . SER A 1 292 ? -19.660 -8.532 -33.466 1.00 40.96 ? 323 SER A OG 1 ATOM 2214 N N . PRO A 1 293 ? -18.212 -5.603 -32.017 1.00 39.58 ? 324 PRO A N 1 ATOM 2215 C CA . PRO A 1 293 ? -17.234 -5.777 -33.110 1.00 37.51 ? 324 PRO A CA 1 ATOM 2216 C C . PRO A 1 293 ? -15.833 -6.101 -32.577 1.00 34.77 ? 324 PRO A C 1 ATOM 2217 O O . PRO A 1 293 ? -15.606 -6.003 -31.350 1.00 33.10 ? 324 PRO A O 1 ATOM 2218 C CB . PRO A 1 293 ? -17.255 -4.431 -33.841 1.00 39.37 ? 324 PRO A CB 1 ATOM 2219 C CG . PRO A 1 293 ? -18.025 -3.454 -32.916 1.00 41.67 ? 324 PRO A CG 1 ATOM 2220 C CD . PRO A 1 293 ? -18.376 -4.189 -31.626 1.00 41.30 ? 324 PRO A CD 1 ATOM 2221 N N . PHE A 1 294 ? -14.929 -6.515 -33.468 1.00 32.01 ? 325 PHE A N 1 ATOM 2222 C CA . PHE A 1 294 ? -13.523 -6.795 -33.076 1.00 32.31 ? 325 PHE A CA 1 ATOM 2223 C C . PHE A 1 294 ? -12.869 -5.455 -32.727 1.00 31.58 ? 325 PHE A C 1 ATOM 2224 O O . PHE A 1 294 ? -13.224 -4.460 -33.291 1.00 33.17 ? 325 PHE A O 1 ATOM 2225 C CB . PHE A 1 294 ? -12.716 -7.433 -34.238 1.00 31.63 ? 325 PHE A CB 1 ATOM 2226 C CG . PHE A 1 294 ? -12.994 -8.897 -34.472 1.00 32.07 ? 325 PHE A CG 1 ATOM 2227 C CD1 . PHE A 1 294 ? -14.077 -9.544 -33.878 1.00 35.01 ? 325 PHE A CD1 1 ATOM 2228 C CD2 . PHE A 1 294 ? -12.193 -9.616 -35.331 1.00 31.64 ? 325 PHE A CD2 1 ATOM 2229 C CE1 . PHE A 1 294 ? -14.335 -10.904 -34.132 1.00 34.16 ? 325 PHE A CE1 1 ATOM 2230 C CE2 . PHE A 1 294 ? -12.450 -10.981 -35.580 1.00 34.20 ? 325 PHE A CE2 1 ATOM 2231 C CZ . PHE A 1 294 ? -13.528 -11.610 -34.977 1.00 32.66 ? 325 PHE A CZ 1 ATOM 2232 N N . PRO A 1 295 ? -11.892 -5.444 -31.817 1.00 30.84 ? 326 PRO A N 1 ATOM 2233 C CA . PRO A 1 295 ? -11.127 -4.221 -31.485 1.00 29.66 ? 326 PRO A CA 1 ATOM 2234 C C . PRO A 1 295 ? -10.692 -3.466 -32.755 1.00 30.48 ? 326 PRO A C 1 ATOM 2235 O O . PRO A 1 295 ? -10.366 -4.099 -33.768 1.00 28.41 ? 326 PRO A O 1 ATOM 2236 C CB . PRO A 1 295 ? -9.905 -4.764 -30.790 1.00 28.33 ? 326 PRO A CB 1 ATOM 2237 C CG . PRO A 1 295 ? -10.306 -6.162 -30.267 1.00 29.01 ? 326 PRO A CG 1 ATOM 2238 C CD . PRO A 1 295 ? -11.568 -6.586 -30.934 1.00 28.99 ? 326 PRO A CD 1 ATOM 2239 N N . GLU A 1 296 ? -10.716 -2.115 -32.688 1.00 31.20 ? 327 GLU A N 1 ATOM 2240 C CA . GLU A 1 296 ? -10.156 -1.232 -33.713 1.00 30.29 ? 327 GLU A CA 1 ATOM 2241 C C . GLU A 1 296 ? -8.767 -1.717 -34.246 1.00 29.10 ? 327 GLU A C 1 ATOM 2242 O O . GLU A 1 296 ? -8.454 -1.682 -35.474 1.00 29.39 ? 327 GLU A O 1 ATOM 2243 C CB . GLU A 1 296 ? -10.077 0.217 -33.155 1.00 31.88 ? 327 GLU A CB 1 ATOM 2244 C CG . GLU A 1 296 ? -9.378 1.162 -34.066 1.00 32.96 ? 327 GLU A CG 1 ATOM 2245 C CD . GLU A 1 296 ? -10.067 1.227 -35.453 1.00 34.03 ? 327 GLU A CD 1 ATOM 2246 O OE1 . GLU A 1 296 ? -11.312 1.106 -35.462 1.00 34.76 ? 327 GLU A OE1 1 ATOM 2247 O OE2 . GLU A 1 296 ? -9.388 1.421 -36.507 1.00 34.37 ? 327 GLU A OE2 1 ATOM 2248 N N . VAL A 1 297 ? -7.944 -2.174 -33.330 1.00 27.80 ? 328 VAL A N 1 ATOM 2249 C CA . VAL A 1 297 ? -6.580 -2.602 -33.701 1.00 27.42 ? 328 VAL A CA 1 ATOM 2250 C C . VAL A 1 297 ? -6.410 -4.011 -34.271 1.00 26.68 ? 328 VAL A C 1 ATOM 2251 O O . VAL A 1 297 ? -5.293 -4.428 -34.481 1.00 26.38 ? 328 VAL A O 1 ATOM 2252 C CB . VAL A 1 297 ? -5.637 -2.616 -32.462 1.00 27.06 ? 328 VAL A CB 1 ATOM 2253 C CG1 . VAL A 1 297 ? -5.468 -1.225 -31.860 1.00 27.56 ? 328 VAL A CG1 1 ATOM 2254 C CG2 . VAL A 1 297 ? -6.109 -3.686 -31.450 1.00 25.00 ? 328 VAL A CG2 1 ATOM 2255 N N . TRP A 1 298 ? -7.486 -4.770 -34.476 1.00 27.40 ? 329 TRP A N 1 ATOM 2256 C CA . TRP A 1 298 ? -7.372 -6.194 -34.832 1.00 25.32 ? 329 TRP A CA 1 ATOM 2257 C C . TRP A 1 298 ? -6.578 -6.440 -36.105 1.00 25.49 ? 329 TRP A C 1 ATOM 2258 O O . TRP A 1 298 ? -6.896 -5.848 -37.169 1.00 27.07 ? 329 TRP A O 1 ATOM 2259 C CB . TRP A 1 298 ? -8.793 -6.799 -34.956 1.00 25.77 ? 329 TRP A CB 1 ATOM 2260 C CG . TRP A 1 298 ? -8.858 -8.230 -35.357 1.00 25.26 ? 329 TRP A CG 1 ATOM 2261 C CD1 . TRP A 1 298 ? -8.712 -9.340 -34.530 1.00 24.57 ? 329 TRP A CD1 1 ATOM 2262 C CD2 . TRP A 1 298 ? -9.077 -8.747 -36.691 1.00 24.18 ? 329 TRP A CD2 1 ATOM 2263 N NE1 . TRP A 1 298 ? -8.866 -10.491 -35.266 1.00 25.87 ? 329 TRP A NE1 1 ATOM 2264 C CE2 . TRP A 1 298 ? -9.063 -10.168 -36.594 1.00 23.53 ? 329 TRP A CE2 1 ATOM 2265 C CE3 . TRP A 1 298 ? -9.261 -8.148 -37.959 1.00 27.70 ? 329 TRP A CE3 1 ATOM 2266 C CZ2 . TRP A 1 298 ? -9.260 -11.010 -37.722 1.00 25.26 ? 329 TRP A CZ2 1 ATOM 2267 C CZ3 . TRP A 1 298 ? -9.479 -8.954 -39.053 1.00 24.88 ? 329 TRP A CZ3 1 ATOM 2268 C CH2 . TRP A 1 298 ? -9.449 -10.400 -38.941 1.00 24.09 ? 329 TRP A CH2 1 ATOM 2269 N N . HIS A 1 299 ? -5.552 -7.324 -35.997 1.00 24.74 ? 330 HIS A N 1 ATOM 2270 C CA . HIS A 1 299 ? -4.670 -7.688 -37.143 1.00 23.50 ? 330 HIS A CA 1 ATOM 2271 C C . HIS A 1 299 ? -4.014 -6.458 -37.770 1.00 23.86 ? 330 HIS A C 1 ATOM 2272 O O . HIS A 1 299 ? -3.883 -6.275 -39.021 1.00 24.76 ? 330 HIS A O 1 ATOM 2273 C CB . HIS A 1 299 ? -5.387 -8.576 -38.185 1.00 22.67 ? 330 HIS A CB 1 ATOM 2274 C CG . HIS A 1 299 ? -5.615 -10.002 -37.740 1.00 23.73 ? 330 HIS A CG 1 ATOM 2275 N ND1 . HIS A 1 299 ? -6.032 -10.970 -38.623 1.00 22.55 ? 330 HIS A ND1 1 ATOM 2276 C CD2 . HIS A 1 299 ? -5.484 -10.636 -36.521 1.00 20.34 ? 330 HIS A CD2 1 ATOM 2277 C CE1 . HIS A 1 299 ? -6.166 -12.129 -37.975 1.00 22.75 ? 330 HIS A CE1 1 ATOM 2278 N NE2 . HIS A 1 299 ? -5.815 -11.965 -36.715 1.00 19.69 ? 330 HIS A NE2 1 ATOM 2279 N N . THR A 1 300 ? -3.608 -5.588 -36.870 1.00 24.10 ? 331 THR A N 1 ATOM 2280 C CA . THR A 1 300 ? -2.772 -4.450 -37.211 1.00 25.24 ? 331 THR A CA 1 ATOM 2281 C C . THR A 1 300 ? -1.609 -4.322 -36.213 1.00 25.66 ? 331 THR A C 1 ATOM 2282 O O . THR A 1 300 ? -1.726 -4.708 -35.033 1.00 26.33 ? 331 THR A O 1 ATOM 2283 C CB . THR A 1 300 ? -3.679 -3.166 -37.133 1.00 26.70 ? 331 THR A CB 1 ATOM 2284 O OG1 . THR A 1 300 ? -3.299 -2.267 -38.156 1.00 34.65 ? 331 THR A OG1 1 ATOM 2285 C CG2 . THR A 1 300 ? -3.576 -2.481 -35.813 1.00 26.80 ? 331 THR A CG2 1 ATOM 2286 N N . MET A 1 301 ? -0.554 -3.643 -36.638 1.00 28.56 ? 332 MET A N 1 ATOM 2287 C CA . MET A 1 301 ? 0.642 -3.465 -35.827 1.00 28.07 ? 332 MET A CA 1 ATOM 2288 C C . MET A 1 301 ? 0.399 -2.733 -34.559 1.00 28.01 ? 332 MET A C 1 ATOM 2289 O O . MET A 1 301 ? 1.225 -2.799 -33.664 1.00 27.60 ? 332 MET A O 1 ATOM 2290 C CB . MET A 1 301 ? 1.673 -2.710 -36.596 1.00 28.27 ? 332 MET A CB 1 ATOM 2291 C CG . MET A 1 301 ? 2.248 -3.569 -37.676 1.00 32.97 ? 332 MET A CG 1 ATOM 2292 S SD . MET A 1 301 ? 2.944 -5.150 -37.020 1.00 37.17 ? 332 MET A SD 1 ATOM 2293 C CE . MET A 1 301 ? 3.327 -5.720 -38.698 1.00 35.62 ? 332 MET A CE 1 ATOM 2294 N N . ASP A 1 302 ? -0.728 -2.006 -34.542 1.00 28.90 ? 333 ASP A N 1 ATOM 2295 C CA . ASP A 1 302 ? -1.228 -1.287 -33.411 1.00 28.06 ? 333 ASP A CA 1 ATOM 2296 C C . ASP A 1 302 ? -1.812 -2.151 -32.299 1.00 28.90 ? 333 ASP A C 1 ATOM 2297 O O . ASP A 1 302 ? -2.156 -1.606 -31.229 1.00 28.36 ? 333 ASP A O 1 ATOM 2298 C CB . ASP A 1 302 ? -2.200 -0.167 -33.831 1.00 29.63 ? 333 ASP A CB 1 ATOM 2299 C CG . ASP A 1 302 ? -1.518 0.920 -34.608 1.00 30.47 ? 333 ASP A CG 1 ATOM 2300 O OD1 . ASP A 1 302 ? -0.661 1.563 -34.022 1.00 30.70 ? 333 ASP A OD1 1 ATOM 2301 O OD2 . ASP A 1 302 ? -1.803 1.126 -35.821 1.00 34.06 ? 333 ASP A OD2 1 ATOM 2302 N N . ASP A 1 303 ? -1.932 -3.480 -32.505 1.00 28.43 ? 334 ASP A N 1 ATOM 2303 C CA . ASP A 1 303 ? -2.445 -4.290 -31.416 1.00 28.69 ? 334 ASP A CA 1 ATOM 2304 C C . ASP A 1 303 ? -1.323 -4.512 -30.417 1.00 29.01 ? 334 ASP A C 1 ATOM 2305 O O . ASP A 1 303 ? -0.670 -5.573 -30.463 1.00 29.44 ? 334 ASP A O 1 ATOM 2306 C CB . ASP A 1 303 ? -2.972 -5.639 -31.884 1.00 26.98 ? 334 ASP A CB 1 ATOM 2307 C CG . ASP A 1 303 ? -3.708 -6.396 -30.799 1.00 30.04 ? 334 ASP A CG 1 ATOM 2308 O OD1 . ASP A 1 303 ? -3.657 -5.970 -29.601 1.00 32.81 ? 334 ASP A OD1 1 ATOM 2309 O OD2 . ASP A 1 303 ? -4.379 -7.415 -31.139 1.00 30.32 ? 334 ASP A OD2 1 ATOM 2310 N N . ASN A 1 304 ? -1.095 -3.523 -29.551 1.00 28.91 ? 335 ASN A N 1 ATOM 2311 C CA . ASN A 1 304 ? 0.142 -3.471 -28.744 1.00 28.73 ? 335 ASN A CA 1 ATOM 2312 C C . ASN A 1 304 ? -0.182 -3.151 -27.298 1.00 29.15 ? 335 ASN A C 1 ATOM 2313 O O . ASN A 1 304 ? -1.344 -2.987 -26.941 1.00 29.39 ? 335 ASN A O 1 ATOM 2314 C CB . ASN A 1 304 ? 1.155 -2.478 -29.319 1.00 28.94 ? 335 ASN A CB 1 ATOM 2315 C CG . ASN A 1 304 ? 0.608 -1.033 -29.403 1.00 30.21 ? 335 ASN A CG 1 ATOM 2316 O OD1 . ASN A 1 304 ? -0.276 -0.645 -28.647 1.00 30.67 ? 335 ASN A OD1 1 ATOM 2317 N ND2 . ASN A 1 304 ? 1.134 -0.249 -30.345 1.00 32.15 ? 335 ASN A ND2 1 ATOM 2318 N N . GLU A 1 305 ? 0.825 -3.058 -26.461 1.00 29.86 ? 336 GLU A N 1 ATOM 2319 C CA . GLU A 1 305 ? 0.552 -2.816 -25.062 1.00 31.19 ? 336 GLU A CA 1 ATOM 2320 C C . GLU A 1 305 ? -0.139 -1.452 -24.898 1.00 34.19 ? 336 GLU A C 1 ATOM 2321 O O . GLU A 1 305 ? -0.998 -1.310 -23.999 1.00 33.87 ? 336 GLU A O 1 ATOM 2322 C CB . GLU A 1 305 ? 1.840 -2.817 -24.260 1.00 30.84 ? 336 GLU A CB 1 ATOM 2323 C CG . GLU A 1 305 ? 1.564 -2.886 -22.787 1.00 35.12 ? 336 GLU A CG 1 ATOM 2324 C CD . GLU A 1 305 ? 2.837 -2.823 -21.950 1.00 37.66 ? 336 GLU A CD 1 ATOM 2325 O OE1 . GLU A 1 305 ? 3.938 -3.137 -22.445 1.00 41.17 ? 336 GLU A OE1 1 ATOM 2326 O OE2 . GLU A 1 305 ? 2.730 -2.456 -20.806 1.00 40.56 ? 336 GLU A OE2 1 ATOM 2327 N N . GLU A 1 306 ? 0.233 -0.473 -25.759 1.00 35.78 ? 337 GLU A N 1 ATOM 2328 C CA . GLU A 1 306 ? -0.148 0.946 -25.601 1.00 39.18 ? 337 GLU A CA 1 ATOM 2329 C C . GLU A 1 306 ? -1.667 1.111 -25.690 1.00 38.77 ? 337 GLU A C 1 ATOM 2330 O O . GLU A 1 306 ? -2.263 1.884 -24.956 1.00 39.91 ? 337 GLU A O 1 ATOM 2331 C CB . GLU A 1 306 ? 0.546 1.823 -26.679 1.00 40.56 ? 337 GLU A CB 1 ATOM 2332 C CG . GLU A 1 306 ? 0.693 3.279 -26.267 1.00 47.34 ? 337 GLU A CG 1 ATOM 2333 C CD . GLU A 1 306 ? 1.015 4.268 -27.420 1.00 55.88 ? 337 GLU A CD 1 ATOM 2334 O OE1 . GLU A 1 306 ? 0.888 5.490 -27.173 1.00 56.94 ? 337 GLU A OE1 1 ATOM 2335 O OE2 . GLU A 1 306 ? 1.393 3.845 -28.562 1.00 60.02 ? 337 GLU A OE2 1 ATOM 2336 N N . ASN A 1 307 ? -2.277 0.319 -26.574 1.00 37.01 ? 338 ASN A N 1 ATOM 2337 C CA . ASN A 1 307 ? -3.701 0.410 -26.917 1.00 36.12 ? 338 ASN A CA 1 ATOM 2338 C C . ASN A 1 307 ? -4.624 -0.453 -26.061 1.00 34.95 ? 338 ASN A C 1 ATOM 2339 O O . ASN A 1 307 ? -5.819 -0.613 -26.314 1.00 34.49 ? 338 ASN A O 1 ATOM 2340 C CB . ASN A 1 307 ? -3.877 0.170 -28.399 1.00 35.68 ? 338 ASN A CB 1 ATOM 2341 C CG . ASN A 1 307 ? -3.293 1.298 -29.205 1.00 38.19 ? 338 ASN A CG 1 ATOM 2342 O OD1 . ASN A 1 307 ? -2.574 1.091 -30.174 1.00 41.09 ? 338 ASN A OD1 1 ATOM 2343 N ND2 . ASN A 1 307 ? -3.552 2.516 -28.760 1.00 40.49 ? 338 ASN A ND2 1 ATOM 2344 N N . LEU A 1 308 ? -4.061 -0.931 -24.971 1.00 34.23 ? 339 LEU A N 1 ATOM 2345 C CA . LEU A 1 308 ? -4.763 -1.849 -24.140 1.00 33.39 ? 339 LEU A CA 1 ATOM 2346 C C . LEU A 1 308 ? -5.315 -1.003 -23.068 1.00 34.14 ? 339 LEU A C 1 ATOM 2347 O O . LEU A 1 308 ? -4.739 0.030 -22.735 1.00 35.07 ? 339 LEU A O 1 ATOM 2348 C CB . LEU A 1 308 ? -3.814 -2.892 -23.536 1.00 32.26 ? 339 LEU A CB 1 ATOM 2349 C CG . LEU A 1 308 ? -3.228 -4.087 -24.275 1.00 30.09 ? 339 LEU A CG 1 ATOM 2350 C CD1 . LEU A 1 308 ? -2.379 -4.875 -23.279 1.00 27.79 ? 339 LEU A CD1 1 ATOM 2351 C CD2 . LEU A 1 308 ? -4.323 -5.002 -24.895 1.00 29.68 ? 339 LEU A CD2 1 ATOM 2352 N N . ASP A 1 309 ? -6.403 -1.464 -22.484 1.00 34.26 ? 340 ASP A N 1 ATOM 2353 C CA . ASP A 1 309 ? -6.969 -0.726 -21.381 1.00 35.30 ? 340 ASP A CA 1 ATOM 2354 C C . ASP A 1 309 ? -6.950 -1.429 -20.019 1.00 35.75 ? 340 ASP A C 1 ATOM 2355 O O . ASP A 1 309 ? -7.655 -2.371 -19.784 1.00 35.05 ? 340 ASP A O 1 ATOM 2356 C CB . ASP A 1 309 ? -8.371 -0.255 -21.752 1.00 35.71 ? 340 ASP A CB 1 ATOM 2357 C CG . ASP A 1 309 ? -8.946 0.612 -20.704 1.00 38.45 ? 340 ASP A CG 1 ATOM 2358 O OD1 . ASP A 1 309 ? -9.829 0.092 -20.009 1.00 41.61 ? 340 ASP A OD1 1 ATOM 2359 O OD2 . ASP A 1 309 ? -8.453 1.757 -20.496 1.00 37.75 ? 340 ASP A OD2 1 ATOM 2360 N N . GLU A 1 310 ? -6.139 -0.918 -19.109 1.00 37.92 ? 341 GLU A N 1 ATOM 2361 C CA . GLU A 1 310 ? -5.981 -1.462 -17.789 1.00 38.84 ? 341 GLU A CA 1 ATOM 2362 C C . GLU A 1 310 ? -7.272 -1.849 -17.020 1.00 38.98 ? 341 GLU A C 1 ATOM 2363 O O . GLU A 1 310 ? -7.453 -3.003 -16.626 1.00 38.24 ? 341 GLU A O 1 ATOM 2364 C CB . GLU A 1 310 ? -5.164 -0.476 -16.956 1.00 41.13 ? 341 GLU A CB 1 ATOM 2365 C CG . GLU A 1 310 ? -5.100 -0.900 -15.519 1.00 45.68 ? 341 GLU A CG 1 ATOM 2366 C CD . GLU A 1 310 ? -4.266 0.007 -14.666 1.00 52.82 ? 341 GLU A CD 1 ATOM 2367 O OE1 . GLU A 1 310 ? -3.281 0.574 -15.193 1.00 54.60 ? 341 GLU A OE1 1 ATOM 2368 O OE2 . GLU A 1 310 ? -4.584 0.132 -13.451 1.00 55.34 ? 341 GLU A OE2 1 ATOM 2369 N N . SER A 1 311 ? -8.146 -0.882 -16.778 1.00 40.97 ? 342 SER A N 1 ATOM 2370 C CA . SER A 1 311 ? -9.368 -1.109 -15.999 1.00 41.69 ? 342 SER A CA 1 ATOM 2371 C C . SER A 1 311 ? -10.346 -2.128 -16.593 1.00 40.51 ? 342 SER A C 1 ATOM 2372 O O . SER A 1 311 ? -10.931 -2.884 -15.850 1.00 40.55 ? 342 SER A O 1 ATOM 2373 C CB . SER A 1 311 ? -10.069 0.205 -15.754 1.00 43.62 ? 342 SER A CB 1 ATOM 2374 O OG . SER A 1 311 ? -9.127 1.082 -15.185 1.00 47.56 ? 342 SER A OG 1 ATOM 2375 N N . THR A 1 312 ? -10.514 -2.137 -17.916 1.00 38.91 ? 343 THR A N 1 ATOM 2376 C CA . THR A 1 312 ? -11.335 -3.115 -18.639 1.00 37.78 ? 343 THR A CA 1 ATOM 2377 C C . THR A 1 312 ? -10.863 -4.549 -18.305 1.00 37.02 ? 343 THR A C 1 ATOM 2378 O O . THR A 1 312 ? -11.647 -5.456 -17.961 1.00 35.86 ? 343 THR A O 1 ATOM 2379 C CB . THR A 1 312 ? -11.180 -2.884 -20.188 1.00 36.53 ? 343 THR A CB 1 ATOM 2380 O OG1 . THR A 1 312 ? -11.587 -1.547 -20.521 1.00 38.32 ? 343 THR A OG1 1 ATOM 2381 C CG2 . THR A 1 312 ? -12.014 -3.875 -20.990 1.00 35.72 ? 343 THR A CG2 1 ATOM 2382 N N . ILE A 1 313 ? -9.550 -4.732 -18.413 1.00 35.82 ? 344 ILE A N 1 ATOM 2383 C CA . ILE A 1 313 ? -8.966 -6.010 -18.187 1.00 34.52 ? 344 ILE A CA 1 ATOM 2384 C C . ILE A 1 313 ? -9.010 -6.367 -16.724 1.00 34.40 ? 344 ILE A C 1 ATOM 2385 O O . ILE A 1 313 ? -9.299 -7.509 -16.380 1.00 34.03 ? 344 ILE A O 1 ATOM 2386 C CB . ILE A 1 313 ? -7.539 -6.082 -18.667 1.00 33.01 ? 344 ILE A CB 1 ATOM 2387 C CG1 . ILE A 1 313 ? -7.488 -5.925 -20.200 1.00 32.46 ? 344 ILE A CG1 1 ATOM 2388 C CG2 . ILE A 1 313 ? -6.981 -7.440 -18.271 1.00 33.68 ? 344 ILE A CG2 1 ATOM 2389 C CD1 . ILE A 1 313 ? -6.050 -5.607 -20.667 1.00 30.47 ? 344 ILE A CD1 1 ATOM 2390 N N . ASP A 1 314 ? -8.686 -5.418 -15.873 1.00 35.42 ? 345 ASP A N 1 ATOM 2391 C CA . ASP A 1 314 ? -8.821 -5.659 -14.474 1.00 35.83 ? 345 ASP A CA 1 ATOM 2392 C C . ASP A 1 314 ? -10.256 -6.098 -14.212 1.00 37.25 ? 345 ASP A C 1 ATOM 2393 O O . ASP A 1 314 ? -10.488 -7.108 -13.569 1.00 37.33 ? 345 ASP A O 1 ATOM 2394 C CB . ASP A 1 314 ? -8.477 -4.416 -13.709 1.00 37.02 ? 345 ASP A CB 1 ATOM 2395 C CG . ASP A 1 314 ? -8.423 -4.661 -12.222 1.00 38.51 ? 345 ASP A CG 1 ATOM 2396 O OD1 . ASP A 1 314 ? -8.049 -5.784 -11.795 1.00 36.42 ? 345 ASP A OD1 1 ATOM 2397 O OD2 . ASP A 1 314 ? -8.775 -3.727 -11.478 1.00 44.90 ? 345 ASP A OD2 1 ATOM 2398 N N . ASN A 1 315 ? -11.227 -5.380 -14.766 1.00 38.12 ? 346 ASN A N 1 ATOM 2399 C CA . ASN A 1 315 ? -12.629 -5.684 -14.504 1.00 39.77 ? 346 ASN A CA 1 ATOM 2400 C C . ASN A 1 315 ? -13.004 -7.106 -14.930 1.00 37.96 ? 346 ASN A C 1 ATOM 2401 O O . ASN A 1 315 ? -13.665 -7.832 -14.198 1.00 38.70 ? 346 ASN A O 1 ATOM 2402 C CB . ASN A 1 315 ? -13.579 -4.717 -15.244 1.00 40.95 ? 346 ASN A CB 1 ATOM 2403 C CG . ASN A 1 315 ? -13.646 -3.335 -14.639 1.00 44.76 ? 346 ASN A CG 1 ATOM 2404 O OD1 . ASN A 1 315 ? -12.969 -2.997 -13.654 1.00 46.89 ? 346 ASN A OD1 1 ATOM 2405 N ND2 . ASN A 1 315 ? -14.483 -2.501 -15.251 1.00 48.22 ? 346 ASN A ND2 1 ATOM 2406 N N . LEU A 1 316 ? -12.615 -7.470 -16.142 1.00 35.80 ? 347 LEU A N 1 ATOM 2407 C CA . LEU A 1 316 ? -12.987 -8.748 -16.710 1.00 34.48 ? 347 LEU A CA 1 ATOM 2408 C C . LEU A 1 316 ? -12.330 -9.899 -15.949 1.00 33.24 ? 347 LEU A C 1 ATOM 2409 O O . LEU A 1 316 ? -12.864 -10.984 -15.911 1.00 32.42 ? 347 LEU A O 1 ATOM 2410 C CB . LEU A 1 316 ? -12.657 -8.792 -18.225 1.00 31.70 ? 347 LEU A CB 1 ATOM 2411 C CG . LEU A 1 316 ? -13.523 -7.922 -19.169 1.00 31.67 ? 347 LEU A CG 1 ATOM 2412 C CD1 . LEU A 1 316 ? -12.894 -7.746 -20.601 1.00 28.00 ? 347 LEU A CD1 1 ATOM 2413 C CD2 . LEU A 1 316 ? -14.889 -8.564 -19.320 1.00 30.82 ? 347 LEU A CD2 1 ATOM 2414 N N . ASN A 1 317 ? -11.144 -9.665 -15.385 1.00 33.34 ? 348 ASN A N 1 ATOM 2415 C CA . ASN A 1 317 ? -10.496 -10.680 -14.545 1.00 34.15 ? 348 ASN A CA 1 ATOM 2416 C C . ASN A 1 317 ? -11.421 -11.052 -13.364 1.00 34.76 ? 348 ASN A C 1 ATOM 2417 O O . ASN A 1 317 ? -11.503 -12.196 -12.978 1.00 33.95 ? 348 ASN A O 1 ATOM 2418 C CB . ASN A 1 317 ? -9.137 -10.188 -13.988 1.00 34.50 ? 348 ASN A CB 1 ATOM 2419 C CG . ASN A 1 317 ? -8.005 -10.318 -15.015 1.00 34.22 ? 348 ASN A CG 1 ATOM 2420 O OD1 . ASN A 1 317 ? -8.137 -11.020 -16.028 1.00 30.43 ? 348 ASN A OD1 1 ATOM 2421 N ND2 . ASN A 1 317 ? -6.878 -9.645 -14.738 1.00 35.33 ? 348 ASN A ND2 1 ATOM 2422 N N . LYS A 1 318 ? -12.160 -10.077 -12.878 1.00 36.62 ? 349 LYS A N 1 ATOM 2423 C CA . LYS A 1 318 ? -12.918 -10.252 -11.641 1.00 40.45 ? 349 LYS A CA 1 ATOM 2424 C C . LYS A 1 318 ? -14.241 -10.956 -11.989 1.00 41.51 ? 349 LYS A C 1 ATOM 2425 O O . LYS A 1 318 ? -14.683 -11.844 -11.270 1.00 42.30 ? 349 LYS A O 1 ATOM 2426 C CB . LYS A 1 318 ? -13.127 -8.918 -10.976 1.00 40.62 ? 349 LYS A CB 1 ATOM 2427 C CG . LYS A 1 318 ? -11.821 -8.179 -10.717 1.00 41.12 ? 349 LYS A CG 1 ATOM 2428 C CD . LYS A 1 318 ? -12.140 -6.760 -10.241 1.00 44.24 ? 349 LYS A CD 1 ATOM 2429 C CE . LYS A 1 318 ? -11.195 -6.292 -9.120 1.00 40.24 ? 349 LYS A CE 1 ATOM 2430 N NZ . LYS A 1 318 ? -11.242 -4.845 -9.035 1.00 42.07 ? 349 LYS A NZ 1 ATOM 2431 N N . ILE A 1 319 ? -14.827 -10.572 -13.130 1.00 41.61 ? 350 ILE A N 1 ATOM 2432 C CA . ILE A 1 319 ? -16.028 -11.219 -13.654 1.00 41.58 ? 350 ILE A CA 1 ATOM 2433 C C . ILE A 1 319 ? -15.674 -12.691 -13.871 1.00 39.76 ? 350 ILE A C 1 ATOM 2434 O O . ILE A 1 319 ? -16.320 -13.592 -13.303 1.00 42.57 ? 350 ILE A O 1 ATOM 2435 C CB . ILE A 1 319 ? -16.517 -10.516 -14.935 1.00 41.10 ? 350 ILE A CB 1 ATOM 2436 C CG1 . ILE A 1 319 ? -17.017 -9.127 -14.555 1.00 42.97 ? 350 ILE A CG1 1 ATOM 2437 C CG2 . ILE A 1 319 ? -17.604 -11.309 -15.632 1.00 41.48 ? 350 ILE A CG2 1 ATOM 2438 C CD1 . ILE A 1 319 ? -17.362 -8.194 -15.732 1.00 44.79 ? 350 ILE A CD1 1 ATOM 2439 N N . LEU A 1 320 ? -14.567 -12.911 -14.559 1.00 36.42 ? 351 LEU A N 1 ATOM 2440 C CA . LEU A 1 320 ? -14.097 -14.226 -14.897 1.00 34.85 ? 351 LEU A CA 1 ATOM 2441 C C . LEU A 1 320 ? -13.744 -15.130 -13.726 1.00 35.49 ? 351 LEU A C 1 ATOM 2442 O O . LEU A 1 320 ? -14.134 -16.299 -13.726 1.00 35.07 ? 351 LEU A O 1 ATOM 2443 C CB . LEU A 1 320 ? -12.924 -14.129 -15.883 1.00 33.03 ? 351 LEU A CB 1 ATOM 2444 C CG . LEU A 1 320 ? -12.429 -15.533 -16.233 1.00 32.96 ? 351 LEU A CG 1 ATOM 2445 C CD1 . LEU A 1 320 ? -13.464 -16.204 -17.114 1.00 35.22 ? 351 LEU A CD1 1 ATOM 2446 C CD2 . LEU A 1 320 ? -11.024 -15.532 -16.833 1.00 27.82 ? 351 LEU A CD2 1 ATOM 2447 N N . GLN A 1 321 ? -13.040 -14.589 -12.727 1.00 36.11 ? 352 GLN A N 1 ATOM 2448 C CA . GLN A 1 321 ? -12.641 -15.357 -11.549 1.00 38.01 ? 352 GLN A CA 1 ATOM 2449 C C . GLN A 1 321 ? -13.824 -15.774 -10.678 1.00 39.97 ? 352 GLN A C 1 ATOM 2450 O O . GLN A 1 321 ? -13.857 -16.894 -10.133 1.00 39.83 ? 352 GLN A O 1 ATOM 2451 C CB . GLN A 1 321 ? -11.606 -14.579 -10.717 1.00 38.68 ? 352 GLN A CB 1 ATOM 2452 C CG . GLN A 1 321 ? -10.291 -14.451 -11.532 1.00 38.30 ? 352 GLN A CG 1 ATOM 2453 C CD . GLN A 1 321 ? -9.278 -13.463 -10.944 1.00 40.15 ? 352 GLN A CD 1 ATOM 2454 O OE1 . GLN A 1 321 ? -9.293 -13.131 -9.746 1.00 35.57 ? 352 GLN A OE1 1 ATOM 2455 N NE2 . GLN A 1 321 ? -8.388 -12.973 -11.822 1.00 38.06 ? 352 GLN A NE2 1 ATOM 2456 N N . VAL A 1 322 ? -14.785 -14.860 -10.557 1.00 41.00 ? 353 VAL A N 1 ATOM 2457 C CA . VAL A 1 322 ? -16.046 -15.126 -9.877 1.00 41.66 ? 353 VAL A CA 1 ATOM 2458 C C . VAL A 1 322 ? -16.795 -16.226 -10.662 1.00 41.36 ? 353 VAL A C 1 ATOM 2459 O O . VAL A 1 322 ? -17.222 -17.213 -10.066 1.00 42.16 ? 353 VAL A O 1 ATOM 2460 C CB . VAL A 1 322 ? -16.890 -13.835 -9.764 1.00 43.06 ? 353 VAL A CB 1 ATOM 2461 C CG1 . VAL A 1 322 ? -18.324 -14.137 -9.393 1.00 45.36 ? 353 VAL A CG1 1 ATOM 2462 C CG2 . VAL A 1 322 ? -16.280 -12.870 -8.728 1.00 44.83 ? 353 VAL A CG2 1 ATOM 2463 N N . PHE A 1 323 ? -16.910 -16.077 -11.998 1.00 38.90 ? 354 PHE A N 1 ATOM 2464 C CA . PHE A 1 323 ? -17.616 -17.052 -12.828 1.00 38.12 ? 354 PHE A CA 1 ATOM 2465 C C . PHE A 1 323 ? -17.058 -18.427 -12.553 1.00 37.80 ? 354 PHE A C 1 ATOM 2466 O O . PHE A 1 323 ? -17.797 -19.406 -12.410 1.00 39.56 ? 354 PHE A O 1 ATOM 2467 C CB . PHE A 1 323 ? -17.413 -16.731 -14.336 1.00 36.12 ? 354 PHE A CB 1 ATOM 2468 C CG . PHE A 1 323 ? -18.127 -17.686 -15.250 1.00 35.42 ? 354 PHE A CG 1 ATOM 2469 C CD1 . PHE A 1 323 ? -19.414 -17.418 -15.688 1.00 35.31 ? 354 PHE A CD1 1 ATOM 2470 C CD2 . PHE A 1 323 ? -17.529 -18.880 -15.628 1.00 33.51 ? 354 PHE A CD2 1 ATOM 2471 C CE1 . PHE A 1 323 ? -20.062 -18.303 -16.487 1.00 35.87 ? 354 PHE A CE1 1 ATOM 2472 C CE2 . PHE A 1 323 ? -18.192 -19.795 -16.426 1.00 31.16 ? 354 PHE A CE2 1 ATOM 2473 C CZ . PHE A 1 323 ? -19.432 -19.523 -16.861 1.00 33.62 ? 354 PHE A CZ 1 ATOM 2474 N N . VAL A 1 324 ? -15.735 -18.488 -12.493 1.00 36.99 ? 355 VAL A N 1 ATOM 2475 C CA . VAL A 1 324 ? -15.017 -19.743 -12.366 1.00 36.31 ? 355 VAL A CA 1 ATOM 2476 C C . VAL A 1 324 ? -15.215 -20.360 -11.018 1.00 39.16 ? 355 VAL A C 1 ATOM 2477 O O . VAL A 1 324 ? -15.575 -21.530 -10.945 1.00 41.97 ? 355 VAL A O 1 ATOM 2478 C CB . VAL A 1 324 ? -13.530 -19.596 -12.702 1.00 35.71 ? 355 VAL A CB 1 ATOM 2479 C CG1 . VAL A 1 324 ? -12.669 -20.709 -12.042 1.00 34.08 ? 355 VAL A CG1 1 ATOM 2480 C CG2 . VAL A 1 324 ? -13.363 -19.571 -14.221 1.00 28.86 ? 355 VAL A CG2 1 ATOM 2481 N N . LEU A 1 325 ? -15.013 -19.594 -9.953 1.00 39.88 ? 356 LEU A N 1 ATOM 2482 C CA . LEU A 1 325 ? -15.318 -20.085 -8.588 1.00 42.03 ? 356 LEU A CA 1 ATOM 2483 C C . LEU A 1 325 ? -16.752 -20.598 -8.395 1.00 43.69 ? 356 LEU A C 1 ATOM 2484 O O . LEU A 1 325 ? -16.996 -21.589 -7.679 1.00 43.80 ? 356 LEU A O 1 ATOM 2485 C CB . LEU A 1 325 ? -15.059 -18.978 -7.590 1.00 42.40 ? 356 LEU A CB 1 ATOM 2486 C CG . LEU A 1 325 ? -13.607 -18.583 -7.298 1.00 42.13 ? 356 LEU A CG 1 ATOM 2487 C CD1 . LEU A 1 325 ? -13.551 -17.687 -6.017 1.00 45.97 ? 356 LEU A CD1 1 ATOM 2488 C CD2 . LEU A 1 325 ? -12.731 -19.825 -7.142 1.00 39.76 ? 356 LEU A CD2 1 ATOM 2489 N N . GLU A 1 326 ? -17.699 -19.922 -9.044 1.00 44.05 ? 357 GLU A N 1 ATOM 2490 C CA . GLU A 1 326 ? -19.108 -20.260 -8.894 1.00 45.96 ? 357 GLU A CA 1 ATOM 2491 C C . GLU A 1 326 ? -19.393 -21.603 -9.593 1.00 44.80 ? 357 GLU A C 1 ATOM 2492 O O . GLU A 1 326 ? -20.006 -22.504 -9.025 1.00 47.13 ? 357 GLU A O 1 ATOM 2493 C CB . GLU A 1 326 ? -20.000 -19.085 -9.378 1.00 46.63 ? 357 GLU A CB 1 ATOM 2494 C CG . GLU A 1 326 ? -19.967 -17.885 -8.362 1.00 49.29 ? 357 GLU A CG 1 ATOM 2495 C CD . GLU A 1 326 ? -21.085 -16.833 -8.535 1.00 51.11 ? 357 GLU A CD 1 ATOM 2496 O OE1 . GLU A 1 326 ? -21.600 -16.663 -9.682 1.00 48.73 ? 357 GLU A OE1 1 ATOM 2497 O OE2 . GLU A 1 326 ? -21.414 -16.161 -7.509 1.00 49.42 ? 357 GLU A OE2 1 ATOM 2498 N N . TYR A 1 327 ? -18.866 -21.759 -10.798 1.00 41.93 ? 358 TYR A N 1 ATOM 2499 C CA . TYR A 1 327 ? -18.969 -23.015 -11.514 1.00 40.50 ? 358 TYR A CA 1 ATOM 2500 C C . TYR A 1 327 ? -18.396 -24.206 -10.733 1.00 40.69 ? 358 TYR A C 1 ATOM 2501 O O . TYR A 1 327 ? -18.999 -25.282 -10.693 1.00 42.17 ? 358 TYR A O 1 ATOM 2502 C CB . TYR A 1 327 ? -18.224 -22.877 -12.821 1.00 37.60 ? 358 TYR A CB 1 ATOM 2503 C CG . TYR A 1 327 ? -18.707 -23.833 -13.835 1.00 36.69 ? 358 TYR A CG 1 ATOM 2504 C CD1 . TYR A 1 327 ? -19.581 -23.414 -14.822 1.00 36.33 ? 358 TYR A CD1 1 ATOM 2505 C CD2 . TYR A 1 327 ? -18.324 -25.173 -13.795 1.00 35.57 ? 358 TYR A CD2 1 ATOM 2506 C CE1 . TYR A 1 327 ? -20.045 -24.281 -15.761 1.00 38.72 ? 358 TYR A CE1 1 ATOM 2507 C CE2 . TYR A 1 327 ? -18.800 -26.072 -14.726 1.00 39.33 ? 358 TYR A CE2 1 ATOM 2508 C CZ . TYR A 1 327 ? -19.660 -25.616 -15.720 1.00 40.15 ? 358 TYR A CZ 1 ATOM 2509 O OH . TYR A 1 327 ? -20.160 -26.475 -16.668 1.00 39.82 ? 358 TYR A OH 1 ATOM 2510 N N . LEU A 1 328 ? -17.236 -23.986 -10.112 1.00 39.47 ? 359 LEU A N 1 ATOM 2511 C CA . LEU A 1 328 ? -16.493 -25.015 -9.372 1.00 39.00 ? 359 LEU A CA 1 ATOM 2512 C C . LEU A 1 328 ? -17.023 -25.108 -7.953 1.00 41.69 ? 359 LEU A C 1 ATOM 2513 O O . LEU A 1 328 ? -16.568 -25.939 -7.157 1.00 42.07 ? 359 LEU A O 1 ATOM 2514 C CB . LEU A 1 328 ? -14.988 -24.661 -9.345 1.00 37.21 ? 359 LEU A CB 1 ATOM 2515 C CG . LEU A 1 328 ? -14.236 -24.637 -10.723 1.00 35.22 ? 359 LEU A CG 1 ATOM 2516 C CD1 . LEU A 1 328 ? -12.731 -24.392 -10.521 1.00 33.49 ? 359 LEU A CD1 1 ATOM 2517 C CD2 . LEU A 1 328 ? -14.477 -25.947 -11.392 1.00 33.81 ? 359 LEU A CD2 1 ATOM 2518 N N . HIS A 1 329 ? -17.984 -24.266 -7.633 1.00 42.90 ? 360 HIS A N 1 ATOM 2519 C CA . HIS A 1 329 ? -18.445 -24.191 -6.244 1.00 47.38 ? 360 HIS A CA 1 ATOM 2520 C C . HIS A 1 329 ? -17.224 -24.086 -5.327 1.00 48.21 ? 360 HIS A C 1 ATOM 2521 O O . HIS A 1 329 ? -16.956 -25.006 -4.548 1.00 50.35 ? 360 HIS A O 1 ATOM 2522 C CB . HIS A 1 329 ? -19.250 -25.443 -5.869 1.00 49.47 ? 360 HIS A CB 1 ATOM 2523 C CG . HIS A 1 329 ? -20.470 -25.680 -6.711 1.00 50.14 ? 360 HIS A CG 1 ATOM 2524 N ND1 . HIS A 1 329 ? -21.670 -26.092 -6.169 1.00 51.82 ? 360 HIS A ND1 1 ATOM 2525 C CD2 . HIS A 1 329 ? -20.672 -25.594 -8.054 1.00 49.95 ? 360 HIS A CD2 1 ATOM 2526 C CE1 . HIS A 1 329 ? -22.561 -26.244 -7.131 1.00 54.04 ? 360 HIS A CE1 1 ATOM 2527 N NE2 . HIS A 1 329 ? -21.984 -25.948 -8.289 1.00 50.50 ? 360 HIS A NE2 1 ATOM 2528 N N . LEU A 1 330 ? -16.484 -22.976 -5.422 1.00 48.70 ? 361 LEU A N 1 ATOM 2529 C CA . LEU A 1 330 ? -15.294 -22.752 -4.566 1.00 50.43 ? 361 LEU A CA 1 ATOM 2530 C C . LEU A 1 330 ? -15.299 -21.529 -3.635 1.00 52.81 ? 361 LEU A C 1 ATOM 2531 O O . LEU A 1 330 ? -14.291 -21.134 -3.005 1.00 52.58 ? 361 LEU A O 1 ATOM 2532 C CB . LEU A 1 330 ? -13.979 -22.896 -5.344 1.00 47.64 ? 361 LEU A CB 1 ATOM 2533 C CG . LEU A 1 330 ? -13.558 -24.366 -5.481 1.00 48.14 ? 361 LEU A CG 1 ATOM 2534 C CD1 . LEU A 1 330 ? -12.289 -24.470 -6.312 1.00 45.79 ? 361 LEU A CD1 1 ATOM 2535 C CD2 . LEU A 1 330 ? -13.412 -25.047 -4.061 1.00 50.78 ? 361 LEU A CD2 1 ATOM 2536 O OXT . LEU A 1 330 ? -16.350 -20.906 -3.449 1.00 55.07 ? 361 LEU A OXT 1 HETATM 2537 C C1 . NAG B 2 . ? -17.736 -18.502 5.886 1.00 64.96 ? 1 NAG A C1 1 HETATM 2538 C C2 . NAG B 2 . ? -16.263 -18.809 6.218 1.00 66.86 ? 1 NAG A C2 1 HETATM 2539 C C3 . NAG B 2 . ? -16.119 -20.242 6.744 1.00 67.24 ? 1 NAG A C3 1 HETATM 2540 C C4 . NAG B 2 . ? -17.140 -20.582 7.833 1.00 66.52 ? 1 NAG A C4 1 HETATM 2541 C C5 . NAG B 2 . ? -18.554 -20.053 7.513 1.00 66.00 ? 1 NAG A C5 1 HETATM 2542 C C6 . NAG B 2 . ? -19.522 -20.172 8.701 1.00 65.81 ? 1 NAG A C6 1 HETATM 2543 C C7 . NAG B 2 . ? -14.416 -17.644 5.037 1.00 68.39 ? 1 NAG A C7 1 HETATM 2544 C C8 . NAG B 2 . ? -13.547 -17.617 3.795 1.00 65.48 ? 1 NAG A C8 1 HETATM 2545 N N2 . NAG B 2 . ? -15.350 -18.622 5.092 1.00 67.90 ? 1 NAG A N2 1 HETATM 2546 O O3 . NAG B 2 . ? -14.826 -20.406 7.282 1.00 67.86 ? 1 NAG A O3 1 HETATM 2547 O O4 . NAG B 2 . ? -17.117 -21.983 7.984 1.00 66.12 ? 1 NAG A O4 1 HETATM 2548 O O5 . NAG B 2 . ? -18.509 -18.690 7.077 1.00 65.95 ? 1 NAG A O5 1 HETATM 2549 O O6 . NAG B 2 . ? -18.840 -20.015 9.929 1.00 61.49 ? 1 NAG A O6 1 HETATM 2550 O O7 . NAG B 2 . ? -14.260 -16.799 5.938 1.00 65.96 ? 1 NAG A O7 1 HETATM 2551 C C1 . NAG C 2 . ? -20.905 -15.515 2.893 1.00 46.65 ? 2 NAG A C1 1 HETATM 2552 C C2 . NAG C 2 . ? -21.102 -15.668 4.419 1.00 52.31 ? 2 NAG A C2 1 HETATM 2553 C C3 . NAG C 2 . ? -19.778 -15.844 5.119 1.00 53.47 ? 2 NAG A C3 1 HETATM 2554 C C4 . NAG C 2 . ? -19.025 -17.015 4.514 1.00 55.78 ? 2 NAG A C4 1 HETATM 2555 C C5 . NAG C 2 . ? -18.757 -16.718 3.018 1.00 54.60 ? 2 NAG A C5 1 HETATM 2556 C C6 . NAG C 2 . ? -18.028 -17.866 2.284 1.00 55.07 ? 2 NAG A C6 1 HETATM 2557 C C7 . NAG C 2 . ? -23.005 -14.202 4.924 1.00 56.18 ? 2 NAG A C7 1 HETATM 2558 C C8 . NAG C 2 . ? -23.450 -12.927 5.582 1.00 55.55 ? 2 NAG A C8 1 HETATM 2559 N N2 . NAG C 2 . ? -21.695 -14.474 4.997 1.00 53.22 ? 2 NAG A N2 1 HETATM 2560 O O3 . NAG C 2 . ? -20.029 -16.091 6.489 1.00 57.44 ? 2 NAG A O3 1 HETATM 2561 O O4 . NAG C 2 . ? -17.847 -17.181 5.293 1.00 59.78 ? 2 NAG A O4 1 HETATM 2562 O O5 . NAG C 2 . ? -19.981 -16.452 2.324 1.00 50.76 ? 2 NAG A O5 1 HETATM 2563 O O6 . NAG C 2 . ? -16.634 -17.632 2.215 1.00 57.13 ? 2 NAG A O6 1 HETATM 2564 O O7 . NAG C 2 . ? -23.826 -14.939 4.350 1.00 56.67 ? 2 NAG A O7 1 HETATM 2565 ZN ZN . ZN D 3 . ? -5.953 -12.678 -34.706 1.00 19.35 ? 362 ZN A ZN 1 HETATM 2566 N N1 . IMD E 4 . ? -9.471 -14.486 -35.192 1.00 18.04 ? 363 IMD A N1 1 HETATM 2567 C C2 . IMD E 4 . ? -8.304 -14.022 -35.700 1.00 13.95 ? 363 IMD A C2 1 HETATM 2568 N N3 . IMD E 4 . ? -7.493 -13.683 -34.667 1.00 12.56 ? 363 IMD A N3 1 HETATM 2569 C C4 . IMD E 4 . ? -8.183 -13.948 -33.466 1.00 15.76 ? 363 IMD A C4 1 HETATM 2570 C C5 . IMD E 4 . ? -9.442 -14.439 -33.797 1.00 18.90 ? 363 IMD A C5 1 HETATM 2571 CL CL . CL F 5 . ? 10.146 -19.667 -36.814 0.50 25.21 ? 364 CL A CL 1 HETATM 2572 O O . HOH G 6 . ? -9.895 0.651 -38.795 1.00 2.00 ? 3 HOH A O 1 HETATM 2573 O O . HOH G 6 . ? -0.544 -14.333 -41.580 1.00 3.06 ? 4 HOH A O 1 HETATM 2574 O O . HOH G 6 . ? -8.578 -18.485 -29.612 1.00 8.18 ? 5 HOH A O 1 HETATM 2575 O O . HOH G 6 . ? -5.365 -8.344 -33.457 1.00 5.05 ? 6 HOH A O 1 HETATM 2576 O O . HOH G 6 . ? 3.743 -12.438 -34.844 1.00 5.69 ? 7 HOH A O 1 HETATM 2577 O O . HOH G 6 . ? -5.349 -23.517 -33.084 1.00 15.35 ? 8 HOH A O 1 HETATM 2578 O O . HOH G 6 . ? -5.170 -15.202 -39.123 1.00 2.00 ? 9 HOH A O 1 HETATM 2579 O O . HOH G 6 . ? -0.530 -18.863 -36.506 1.00 16.06 ? 10 HOH A O 1 HETATM 2580 O O . HOH G 6 . ? -18.803 -17.178 -31.539 1.00 14.29 ? 11 HOH A O 1 HETATM 2581 O O . HOH G 6 . ? -1.380 -15.110 -28.612 1.00 5.30 ? 12 HOH A O 1 HETATM 2582 O O . HOH G 6 . ? 8.447 -25.390 -37.190 1.00 3.10 ? 13 HOH A O 1 HETATM 2583 O O . HOH G 6 . ? -2.738 -31.293 -18.842 1.00 3.94 ? 14 HOH A O 1 HETATM 2584 O O . HOH G 6 . ? 5.259 -23.361 -31.914 1.00 12.02 ? 15 HOH A O 1 HETATM 2585 O O . HOH G 6 . ? -11.145 -4.077 -36.170 1.00 3.55 ? 16 HOH A O 1 HETATM 2586 O O . HOH G 6 . ? -8.443 -1.659 -30.244 1.00 2.00 ? 17 HOH A O 1 HETATM 2587 O O . HOH G 6 . ? 0.341 -16.968 -38.260 1.00 14.02 ? 18 HOH A O 1 HETATM 2588 O O . HOH G 6 . ? -11.156 -1.163 -29.849 1.00 2.69 ? 19 HOH A O 1 HETATM 2589 O O . HOH G 6 . ? -3.944 0.443 -19.493 1.00 16.44 ? 20 HOH A O 1 HETATM 2590 O O . HOH G 6 . ? -6.617 -2.212 -28.149 1.00 2.39 ? 21 HOH A O 1 HETATM 2591 O O . HOH G 6 . ? -9.490 -24.622 -39.673 1.00 12.32 ? 22 HOH A O 1 HETATM 2592 O O . HOH G 6 . ? -0.396 2.416 -31.533 1.00 14.59 ? 23 HOH A O 1 HETATM 2593 O O . HOH G 6 . ? -0.782 -2.168 -39.344 1.00 11.08 ? 24 HOH A O 1 HETATM 2594 O O . HOH G 6 . ? -7.585 -16.713 -27.943 1.00 14.34 ? 25 HOH A O 1 HETATM 2595 O O . HOH G 6 . ? -13.399 -0.604 -35.532 1.00 10.10 ? 26 HOH A O 1 HETATM 2596 O O . HOH G 6 . ? 9.567 -22.682 -31.539 1.00 12.92 ? 27 HOH A O 1 HETATM 2597 O O . HOH G 6 . ? -4.602 -35.344 -33.601 1.00 14.75 ? 28 HOH A O 1 HETATM 2598 O O . HOH G 6 . ? -19.908 -17.828 -33.546 1.00 4.26 ? 29 HOH A O 1 HETATM 2599 O O . HOH G 6 . ? -15.373 -6.537 -36.097 1.00 2.88 ? 30 HOH A O 1 HETATM 2600 O O . HOH G 6 . ? 0.335 -15.336 -5.686 1.00 7.61 ? 31 HOH A O 1 HETATM 2601 O O . HOH G 6 . ? -2.451 -13.046 -33.101 1.00 2.00 ? 365 HOH A O 1 HETATM 2602 O O . HOH G 6 . ? -0.405 -31.855 -42.343 1.00 3.06 ? 366 HOH A O 1 HETATM 2603 O O . HOH G 6 . ? -22.487 -26.560 -17.699 1.00 2.00 ? 367 HOH A O 1 HETATM 2604 O O . HOH G 6 . ? -9.177 -12.868 -7.019 1.00 15.03 ? 368 HOH A O 1 HETATM 2605 O O . HOH G 6 . ? -21.541 -27.636 -29.082 1.00 20.88 ? 369 HOH A O 1 HETATM 2606 O O . HOH G 6 . ? 3.142 -34.875 -35.913 1.00 17.74 ? 370 HOH A O 1 HETATM 2607 O O . HOH G 6 . ? 3.376 -26.313 -9.018 1.00 2.00 ? 371 HOH A O 1 HETATM 2608 O O . HOH G 6 . ? -23.217 -13.391 -7.512 1.00 16.51 ? 372 HOH A O 1 HETATM 2609 O O . HOH G 6 . ? -6.876 -36.734 -10.951 1.00 4.60 ? 373 HOH A O 1 HETATM 2610 O O . HOH G 6 . ? 4.134 -33.117 -22.461 1.00 12.28 ? 374 HOH A O 1 HETATM 2611 O O . HOH G 6 . ? -7.102 -13.774 -40.375 1.00 5.59 ? 375 HOH A O 1 HETATM 2612 O O . HOH G 6 . ? -6.537 -5.530 -9.801 1.00 7.44 ? 376 HOH A O 1 HETATM 2613 O O . HOH G 6 . ? -4.111 -6.332 -41.545 1.00 19.21 ? 377 HOH A O 1 HETATM 2614 O O . HOH G 6 . ? 6.201 -26.448 -31.568 1.00 24.00 ? 378 HOH A O 1 HETATM 2615 O O . HOH G 6 . ? -26.302 -23.406 -28.579 1.00 11.74 ? 379 HOH A O 1 HETATM 2616 O O . HOH G 6 . ? -6.340 -10.362 -41.020 1.00 15.60 ? 380 HOH A O 1 HETATM 2617 O O . HOH G 6 . ? 2.392 -10.249 -4.604 1.00 2.56 ? 381 HOH A O 1 HETATM 2618 O O . HOH G 6 . ? -20.249 -14.731 -25.434 1.00 12.54 ? 382 HOH A O 1 HETATM 2619 O O . HOH G 6 . ? -18.770 -20.036 -34.188 1.00 6.69 ? 383 HOH A O 1 HETATM 2620 O O . HOH G 6 . ? 8.262 -28.725 -45.525 1.00 13.20 ? 384 HOH A O 1 HETATM 2621 O O . HOH G 6 . ? -8.223 -13.598 -14.550 1.00 11.56 ? 385 HOH A O 1 HETATM 2622 O O . HOH G 6 . ? -23.327 -18.131 -25.458 1.00 3.69 ? 386 HOH A O 1 HETATM 2623 O O . HOH G 6 . ? -0.330 -12.633 -11.754 1.00 10.70 ? 387 HOH A O 1 HETATM 2624 O O . HOH G 6 . ? 2.247 -14.647 -44.691 1.00 12.04 ? 388 HOH A O 1 HETATM 2625 O O . HOH G 6 . ? 0.592 -16.373 -12.950 1.00 3.55 ? 389 HOH A O 1 HETATM 2626 O O . HOH G 6 . ? -4.246 -32.027 -10.218 1.00 2.00 ? 390 HOH A O 1 HETATM 2627 O O . HOH G 6 . ? 8.169 -7.994 -17.512 1.00 12.21 ? 391 HOH A O 1 HETATM 2628 O O . HOH G 6 . ? 10.346 -17.394 -21.711 1.00 13.61 ? 392 HOH A O 1 HETATM 2629 O O . HOH G 6 . ? 10.430 -15.040 -41.779 1.00 12.47 ? 393 HOH A O 1 HETATM 2630 O O . HOH G 6 . ? -22.086 -26.645 -20.427 1.00 5.43 ? 394 HOH A O 1 HETATM 2631 O O . HOH G 6 . ? -3.609 -22.218 -8.951 1.00 5.15 ? 395 HOH A O 1 HETATM 2632 O O . HOH G 6 . ? -18.684 -32.870 -19.035 1.00 10.70 ? 396 HOH A O 1 HETATM 2633 O O . HOH G 6 . ? 1.277 -5.738 -32.251 1.00 3.05 ? 397 HOH A O 1 HETATM 2634 O O . HOH G 6 . ? -3.241 -20.407 -47.001 1.00 9.43 ? 398 HOH A O 1 HETATM 2635 O O . HOH G 6 . ? -8.281 -45.379 -21.326 1.00 25.82 ? 399 HOH A O 1 HETATM 2636 O O . HOH G 6 . ? -7.071 -33.478 -21.400 1.00 22.84 ? 400 HOH A O 1 HETATM 2637 O O . HOH G 6 . ? -24.056 -16.551 -32.111 1.00 13.13 ? 401 HOH A O 1 HETATM 2638 O O . HOH G 6 . ? 4.609 -3.669 -25.457 1.00 25.97 ? 402 HOH A O 1 HETATM 2639 O O . HOH G 6 . ? 1.821 -25.670 -10.439 1.00 3.77 ? 403 HOH A O 1 HETATM 2640 O O . HOH G 6 . ? 3.333 -26.488 -47.791 1.00 21.23 ? 404 HOH A O 1 HETATM 2641 O O . HOH G 6 . ? 9.904 -26.226 -41.589 1.00 14.65 ? 405 HOH A O 1 HETATM 2642 O O . HOH G 6 . ? 8.591 -22.985 -42.805 1.00 16.95 ? 406 HOH A O 1 HETATM 2643 O O . HOH G 6 . ? -12.766 -33.953 -18.390 1.00 2.00 ? 407 HOH A O 1 HETATM 2644 O O . HOH G 6 . ? -1.942 0.593 -21.925 1.00 11.57 ? 408 HOH A O 1 HETATM 2645 O O . HOH G 6 . ? -6.711 -8.005 -12.143 1.00 7.80 ? 409 HOH A O 1 HETATM 2646 O O . HOH G 6 . ? -4.378 -27.846 -42.146 1.00 16.82 ? 410 HOH A O 1 HETATM 2647 O O . HOH G 6 . ? -11.328 -6.049 -26.514 1.00 5.98 ? 411 HOH A O 1 HETATM 2648 O O . HOH G 6 . ? -1.827 -4.309 -40.836 1.00 22.71 ? 412 HOH A O 1 HETATM 2649 O O . HOH G 6 . ? 7.703 -15.314 -12.544 1.00 15.76 ? 413 HOH A O 1 HETATM 2650 O O . HOH G 6 . ? -18.286 -0.922 -9.472 1.00 2.00 ? 414 HOH A O 1 HETATM 2651 O O . HOH G 6 . ? 9.461 -27.330 -28.467 1.00 22.29 ? 415 HOH A O 1 HETATM 2652 O O . HOH G 6 . ? -11.582 -5.820 -24.008 1.00 7.25 ? 416 HOH A O 1 HETATM 2653 O O . HOH G 6 . ? -5.958 -34.878 -18.949 1.00 13.96 ? 417 HOH A O 1 HETATM 2654 O O . HOH G 6 . ? -3.002 -3.449 -9.247 1.00 2.72 ? 418 HOH A O 1 HETATM 2655 O O . HOH G 6 . ? -10.167 -29.454 0.065 1.00 2.00 ? 419 HOH A O 1 HETATM 2656 O O . HOH G 6 . ? 5.056 -11.778 -37.021 1.00 9.39 ? 420 HOH A O 1 HETATM 2657 O O . HOH G 6 . ? 3.321 -20.176 -30.704 1.00 14.47 ? 421 HOH A O 1 HETATM 2658 O O . HOH G 6 . ? -3.533 -13.454 -43.151 1.00 20.18 ? 422 HOH A O 1 HETATM 2659 O O . HOH G 6 . ? -5.757 -14.242 -43.175 1.00 16.97 ? 423 HOH A O 1 HETATM 2660 O O . HOH G 6 . ? -0.261 -31.823 -46.799 1.00 18.12 ? 424 HOH A O 1 HETATM 2661 O O . HOH G 6 . ? 2.654 -17.639 -11.410 1.00 8.53 ? 425 HOH A O 1 HETATM 2662 O O . HOH G 6 . ? -3.899 -3.430 -28.329 1.00 12.68 ? 426 HOH A O 1 HETATM 2663 O O . HOH G 6 . ? -22.574 -17.613 -34.033 1.00 17.11 ? 427 HOH A O 1 HETATM 2664 O O . HOH G 6 . ? -9.084 -24.760 -47.045 1.00 19.71 ? 428 HOH A O 1 HETATM 2665 O O . HOH G 6 . ? 8.060 -13.754 -15.436 1.00 13.61 ? 429 HOH A O 1 HETATM 2666 O O . HOH G 6 . ? -13.716 -4.341 -35.954 1.00 6.51 ? 430 HOH A O 1 HETATM 2667 O O . HOH G 6 . ? -6.171 -29.693 -42.568 1.00 9.07 ? 431 HOH A O 1 HETATM 2668 O O . HOH G 6 . ? 3.576 -3.960 -27.636 1.00 12.92 ? 432 HOH A O 1 HETATM 2669 O O . HOH G 6 . ? -25.260 0.201 -24.678 1.00 7.03 ? 433 HOH A O 1 HETATM 2670 O O . HOH G 6 . ? -16.298 -4.971 -28.996 1.00 6.10 ? 434 HOH A O 1 HETATM 2671 O O . HOH G 6 . ? -4.214 -36.265 -22.655 1.00 14.80 ? 435 HOH A O 1 HETATM 2672 O O . HOH G 6 . ? -13.814 -0.491 -21.486 1.00 5.57 ? 436 HOH A O 1 HETATM 2673 O O . HOH G 6 . ? -7.528 1.836 -17.940 1.00 2.00 ? 437 HOH A O 1 HETATM 2674 O O . HOH G 6 . ? -13.413 -1.835 -28.481 1.00 6.26 ? 438 HOH A O 1 HETATM 2675 O O . HOH G 6 . ? -28.633 -28.021 -20.562 1.00 12.15 ? 439 HOH A O 1 HETATM 2676 O O . HOH G 6 . ? -15.873 -1.347 -28.992 1.00 11.66 ? 440 HOH A O 1 HETATM 2677 O O . HOH G 6 . ? -11.845 -33.989 -20.603 1.00 9.28 ? 441 HOH A O 1 HETATM 2678 O O . HOH G 6 . ? -13.115 -39.335 -32.305 1.00 27.04 ? 442 HOH A O 1 HETATM 2679 O O . HOH G 6 . ? 10.714 -10.497 -34.731 1.00 14.60 ? 443 HOH A O 1 HETATM 2680 O O . HOH G 6 . ? -14.341 -1.584 -31.157 1.00 8.97 ? 444 HOH A O 1 HETATM 2681 O O . HOH G 6 . ? 10.329 -14.201 -39.434 1.00 15.79 ? 445 HOH A O 1 HETATM 2682 O O . HOH G 6 . ? 3.006 -31.013 -14.817 1.00 22.46 ? 446 HOH A O 1 HETATM 2683 O O . HOH G 6 . ? -8.887 -3.471 -8.800 1.00 13.55 ? 447 HOH A O 1 HETATM 2684 O O . HOH G 6 . ? 1.012 -34.437 -29.565 1.00 27.41 ? 448 HOH A O 1 HETATM 2685 O O . HOH G 6 . ? -8.584 -36.731 -9.133 1.00 10.44 ? 449 HOH A O 1 HETATM 2686 O O . HOH G 6 . ? 8.041 -21.883 -12.292 1.00 7.30 ? 450 HOH A O 1 HETATM 2687 O O . HOH G 6 . ? 9.141 -26.682 -26.098 1.00 20.12 ? 451 HOH A O 1 HETATM 2688 O O . HOH G 6 . ? -20.895 -17.214 -26.080 1.00 7.46 ? 452 HOH A O 1 HETATM 2689 O O . HOH G 6 . ? -19.442 -33.942 -26.974 1.00 9.85 ? 453 HOH A O 1 HETATM 2690 O O . HOH G 6 . ? -13.993 -1.623 -33.310 1.00 9.19 ? 454 HOH A O 1 HETATM 2691 O O . HOH G 6 . ? -22.748 -6.984 -31.523 1.00 9.93 ? 455 HOH A O 1 HETATM 2692 O O . HOH G 6 . ? -7.255 1.884 -25.272 1.00 20.00 ? 456 HOH A O 1 HETATM 2693 O O . HOH G 6 . ? -8.396 -19.079 -49.095 1.00 21.22 ? 457 HOH A O 1 HETATM 2694 O O . HOH G 6 . ? -26.055 -25.737 -19.845 1.00 2.27 ? 458 HOH A O 1 HETATM 2695 O O . HOH G 6 . ? 7.914 -11.548 -39.388 1.00 26.33 ? 459 HOH A O 1 HETATM 2696 O O . HOH G 6 . ? 5.538 -9.103 -37.022 1.00 13.25 ? 460 HOH A O 1 HETATM 2697 O O . HOH G 6 . ? -23.546 -29.605 -27.947 1.00 18.91 ? 461 HOH A O 1 HETATM 2698 O O . HOH G 6 . ? 9.235 -9.705 -30.497 1.00 14.99 ? 462 HOH A O 1 HETATM 2699 O O . HOH G 6 . ? -13.962 -20.685 -0.671 1.00 9.72 ? 463 HOH A O 1 HETATM 2700 O O . HOH G 6 . ? -11.176 -16.371 -44.516 1.00 20.03 ? 464 HOH A O 1 HETATM 2701 O O . HOH G 6 . ? -12.664 -28.155 -37.079 1.00 19.11 ? 465 HOH A O 1 HETATM 2702 O O . HOH G 6 . ? -0.746 -5.570 -6.792 1.00 15.54 ? 466 HOH A O 1 HETATM 2703 O O . HOH G 6 . ? -4.358 2.726 -23.639 1.00 15.91 ? 467 HOH A O 1 HETATM 2704 O O . HOH G 6 . ? 2.721 -11.959 -10.248 1.00 7.17 ? 468 HOH A O 1 HETATM 2705 O O . HOH G 6 . ? -8.584 -10.572 -1.606 1.00 2.00 ? 469 HOH A O 1 HETATM 2706 O O . HOH G 6 . ? -17.274 -9.225 -35.445 1.00 21.68 ? 470 HOH A O 1 HETATM 2707 O O . HOH G 6 . ? -17.624 -18.373 -40.178 1.00 24.75 ? 471 HOH A O 1 HETATM 2708 O O . HOH G 6 . ? -6.594 -5.318 -40.067 1.00 9.41 ? 472 HOH A O 1 HETATM 2709 O O . HOH G 6 . ? -21.104 -33.915 -18.195 1.00 12.73 ? 473 HOH A O 1 HETATM 2710 O O . HOH G 6 . ? -4.393 -38.491 -26.105 1.00 26.75 ? 474 HOH A O 1 HETATM 2711 O O . HOH G 6 . ? -15.699 2.906 -20.105 1.00 10.52 ? 475 HOH A O 1 HETATM 2712 O O . HOH G 6 . ? 3.045 2.671 -31.999 1.00 23.60 ? 476 HOH A O 1 HETATM 2713 O O . HOH G 6 . ? 6.389 -10.333 -7.974 1.00 23.56 ? 477 HOH A O 1 HETATM 2714 O O . HOH G 6 . ? 7.478 -32.212 -24.577 1.00 44.96 ? 478 HOH A O 1 HETATM 2715 O O . HOH G 6 . ? -5.921 -30.194 -45.150 1.00 20.26 ? 479 HOH A O 1 HETATM 2716 O O . HOH G 6 . ? 10.785 -18.005 -19.077 1.00 17.96 ? 480 HOH A O 1 HETATM 2717 O O . HOH G 6 . ? -2.119 -35.059 -10.271 1.00 8.76 ? 481 HOH A O 1 HETATM 2718 O O . HOH G 6 . ? -11.912 -15.114 -36.959 1.00 33.91 ? 482 HOH A O 1 HETATM 2719 O O . HOH G 6 . ? -14.428 -15.578 -38.651 1.00 21.25 ? 483 HOH A O 1 HETATM 2720 O O . HOH G 6 . ? -14.710 -28.598 -5.485 1.00 23.21 ? 484 HOH A O 1 HETATM 2721 O O . HOH G 6 . ? 10.496 -10.806 -37.083 0.50 4.58 ? 485 HOH A 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 . GLU A 7 ? 0.7737 0.8151 0.7721 -0.1650 0.2036 -0.0271 38 GLU A N 2 C CA . GLU A 7 ? 0.8123 0.8400 0.7984 -0.1797 0.2338 -0.0224 38 GLU A CA 3 C C . GLU A 7 ? 0.8075 0.8399 0.7782 -0.1737 0.2526 -0.0237 38 GLU A C 4 O O . GLU A 7 ? 0.7893 0.8536 0.7999 -0.1716 0.2604 -0.0343 38 GLU A O 5 C CB . GLU A 7 ? 0.8468 0.8311 0.7842 -0.1858 0.2354 -0.0089 38 GLU A CB 6 C CG . GLU A 7 ? 0.8738 0.8394 0.7831 -0.1725 0.2076 -0.0040 38 GLU A CG 7 C CD . GLU A 7 ? 0.9333 0.8620 0.7814 -0.1650 0.2082 0.0095 38 GLU A CD 8 O OE1 . GLU A 7 ? 0.9331 0.8488 0.7608 -0.1533 0.1874 0.0130 38 GLU A OE1 9 O OE2 . GLU A 7 ? 0.9811 0.8943 0.8013 -0.1705 0.2289 0.0165 38 GLU A OE2 10 N N . GLU A 8 ? 0.8274 0.8273 0.7402 -0.1709 0.2590 -0.0132 39 GLU A N 11 C CA . GLU A 8 ? 0.8416 0.8389 0.7270 -0.1659 0.2758 -0.0139 39 GLU A CA 12 C C . GLU A 8 ? 0.7936 0.8135 0.6940 -0.1486 0.2621 -0.0235 39 GLU A C 13 O O . GLU A 8 ? 0.7904 0.8284 0.7071 -0.1468 0.2779 -0.0326 39 GLU A O 14 C CB . GLU A 8 ? 0.8796 0.8362 0.6964 -0.1642 0.2770 0.0004 39 GLU A CB 15 C CG . GLU A 8 ? 0.9758 0.9050 0.7671 -0.1814 0.2988 0.0115 39 GLU A CG 16 C CD . GLU A 8 ? 1.0573 0.9447 0.7914 -0.1780 0.2871 0.0280 39 GLU A CD 17 O OE1 . GLU A 8 ? 1.1055 0.9693 0.7882 -0.1774 0.2972 0.0368 39 GLU A OE1 18 O OE2 . GLU A 8 ? 1.0607 0.9391 0.8014 -0.1754 0.2672 0.0317 39 GLU A OE2 19 N N . LYS A 9 ? 0.7530 0.7708 0.6487 -0.1363 0.2338 -0.0219 40 LYS A N 20 C CA . LYS A 9 ? 0.7109 0.7480 0.6223 -0.1206 0.2185 -0.0297 40 LYS A CA 21 C C . LYS A 9 ? 0.6939 0.7676 0.6634 -0.1204 0.2265 -0.0425 40 LYS A C 22 O O . LYS A 9 ? 0.6803 0.7665 0.6581 -0.1098 0.2276 -0.0498 40 LYS A O 23 C CB . LYS A 9 ? 0.6953 0.7296 0.6061 -0.1116 0.1887 -0.0266 40 LYS A CB 24 C CG . LYS A 9 ? 0.6644 0.7138 0.6160 -0.1185 0.1784 -0.0295 40 LYS A CG 25 C CD . LYS A 9 ? 0.6479 0.6939 0.5948 -0.1095 0.1506 -0.0274 40 LYS A CD 26 C CE . LYS A 9 ? 0.6304 0.7033 0.6275 -0.1127 0.1382 -0.0350 40 LYS A CE 27 N NZ . LYS A 9 ? 0.7049 0.7722 0.6940 -0.1063 0.1125 -0.0333 40 LYS A NZ 28 N N . ASN A 10 ? 0.6862 0.7764 0.6969 -0.1325 0.2326 -0.0456 41 ASN A N 29 C CA . ASN A 10 ? 0.6634 0.7917 0.7367 -0.1320 0.2360 -0.0573 41 ASN A CA 30 C C . ASN A 10 ? 0.6843 0.8245 0.7711 -0.1361 0.2672 -0.0647 41 ASN A C 31 O O . ASN A 10 ? 0.6630 0.8332 0.7958 -0.1293 0.2707 -0.0755 41 ASN A O 32 C CB . ASN A 10 ? 0.6577 0.8007 0.7716 -0.1439 0.2286 -0.0585 41 ASN A CB 33 C CG . ASN A 10 ? 0.6440 0.7826 0.7539 -0.1373 0.1962 -0.0552 41 ASN A CG 34 O OD1 . ASN A 10 ? 0.6666 0.7786 0.7427 -0.1423 0.1891 -0.0473 41 ASN A OD1 35 N ND2 . ASN A 10 ? 0.6295 0.7924 0.7715 -0.1253 0.1767 -0.0611 41 ASN A ND2 36 N N . TYR A 11 ? 0.7249 0.8401 0.7694 -0.1464 0.2900 -0.0587 42 TYR A N 37 C CA . TYR A 11 ? 0.7495 0.8704 0.7966 -0.1533 0.3238 -0.0648 42 TYR A CA 38 C C . TYR A 11 ? 0.7626 0.8598 0.7523 -0.1456 0.3324 -0.0633 42 TYR A C 39 O O . TYR A 11 ? 0.7822 0.8817 0.7665 -0.1494 0.3604 -0.0698 42 TYR A O 40 C CB . TYR A 11 ? 0.7967 0.9060 0.8378 -0.1743 0.3466 -0.0585 42 TYR A CB 41 C CG . TYR A 11 ? 0.8172 0.9559 0.9240 -0.1856 0.3467 -0.0640 42 TYR A CG 42 C CD1 . TYR A 11 ? 0.8647 1.0254 1.0114 -0.1989 0.3773 -0.0717 42 TYR A CD1 43 C CD2 . TYR A 11 ? 0.8100 0.9555 0.9396 -0.1834 0.3162 -0.0624 42 TYR A CD2 44 C CE1 . TYR A 11 ? 0.8938 1.0841 1.1046 -0.2103 0.3765 -0.0774 42 TYR A CE1 45 C CE2 . TYR A 11 ? 0.8288 1.0020 1.0182 -0.1945 0.3142 -0.0685 42 TYR A CE2 46 C CZ . TYR A 11 ? 0.8732 1.0696 1.1049 -0.2080 0.3437 -0.0759 42 TYR A CZ 47 O OH . TYR A 11 ? 0.8884 1.1151 1.1837 -0.2201 0.3412 -0.0827 42 TYR A OH 48 N N . HIS A 12 ? 0.7505 0.8244 0.6964 -0.1358 0.3090 -0.0552 43 HIS A N 49 C CA . HIS A 12 ? 0.7625 0.8148 0.6543 -0.1278 0.3115 -0.0543 43 HIS A CA 50 C C . HIS A 12 ? 0.7500 0.8231 0.6667 -0.1166 0.3174 -0.0690 43 HIS A C 51 O O . HIS A 12 ? 0.7079 0.8047 0.6703 -0.1060 0.3003 -0.0756 43 HIS A O 52 C CB . HIS A 12 ? 0.7468 0.7762 0.5975 -0.1180 0.2824 -0.0443 43 HIS A CB 53 C CG . HIS A 12 ? 0.7614 0.7681 0.5551 -0.1124 0.2846 -0.0428 43 HIS A CG 54 N ND1 . HIS A 12 ? 0.7407 0.7531 0.5327 -0.0988 0.2732 -0.0508 43 HIS A ND1 55 C CD2 . HIS A 12 ? 0.7756 0.7539 0.5122 -0.1192 0.2972 -0.0346 43 HIS A CD2 56 C CE1 . HIS A 12 ? 0.7603 0.7499 0.4975 -0.0980 0.2775 -0.0486 43 HIS A CE1 57 N NE2 . HIS A 12 ? 0.7955 0.7643 0.4971 -0.1098 0.2912 -0.0384 43 HIS A NE2 58 N N . GLN A 13 ? 0.7704 0.8313 0.6523 -0.1191 0.3409 -0.0734 44 GLN A N 59 C CA . GLN A 13 ? 0.7807 0.8540 0.6748 -0.1112 0.3555 -0.0888 44 GLN A CA 60 C C . GLN A 13 ? 0.7969 0.8437 0.6294 -0.1038 0.3492 -0.0887 44 GLN A C 61 O O . GLN A 13 ? 0.8244 0.8425 0.5978 -0.1103 0.3498 -0.0777 44 GLN A O 62 C CB . GLN A 13 ? 0.8151 0.8952 0.7169 -0.1240 0.3948 -0.0959 44 GLN A CB 63 C CG . GLN A 13 ? 0.8160 0.9267 0.7848 -0.1331 0.4064 -0.0991 44 GLN A CG 64 C CD . GLN A 13 ? 0.8085 0.9551 0.8482 -0.1199 0.3937 -0.1108 44 GLN A CD 65 O OE1 . GLN A 13 ? 0.7906 0.9577 0.8776 -0.1205 0.3771 -0.1083 44 GLN A OE1 66 N NE2 . GLN A 13 ? 0.8092 0.9617 0.8544 -0.1076 0.3997 -0.1235 44 GLN A NE2 67 N N . PRO A 14 ? 0.7811 0.8367 0.6269 -0.0906 0.3441 -0.1012 45 PRO A N 68 C CA . PRO A 14 ? 0.7971 0.8284 0.5863 -0.0854 0.3387 -0.1029 45 PRO A CA 69 C C . PRO A 14 ? 0.8446 0.8629 0.5950 -0.0943 0.3713 -0.1102 45 PRO A C 70 O O . PRO A 14 ? 0.8525 0.8868 0.6340 -0.1004 0.3986 -0.1185 45 PRO A O 71 C CB . PRO A 14 ? 0.7670 0.8137 0.5923 -0.0703 0.3274 -0.1156 45 PRO A CB 72 C CG . PRO A 14 ? 0.7474 0.8241 0.6375 -0.0701 0.3464 -0.1265 45 PRO A CG 73 C CD . PRO A 14 ? 0.7565 0.8427 0.6670 -0.0818 0.3494 -0.1158 45 PRO A CD 74 N N . ALA A 15 ? 0.8818 0.8719 0.5652 -0.0956 0.3687 -0.1072 46 ALA A N 75 C CA . ALA A 15 ? 0.9402 0.9180 0.5845 -0.1018 0.3980 -0.1180 46 ALA A CA 76 C C . ALA A 15 ? 0.9369 0.9179 0.5870 -0.0895 0.3929 -0.1352 46 ALA A C 77 O O . ALA A 15 ? 0.9352 0.9016 0.5544 -0.0829 0.3683 -0.1329 46 ALA A O 78 C CB . ALA A 15 ? 0.9849 0.9292 0.5498 -0.1110 0.3985 -0.1054 46 ALA A CB 79 N N . ILE A 16 ? 0.9397 0.9404 0.6340 -0.0864 0.4157 -0.1525 47 ILE A N 80 C CA . ILE A 16 ? 0.9363 0.9421 0.6496 -0.0737 0.4129 -0.1703 47 ILE A CA 81 C C . ILE A 16 ? 0.9793 0.9592 0.6275 -0.0767 0.4255 -0.1816 47 ILE A C 82 O O . ILE A 16 ? 1.0196 0.9905 0.6349 -0.0873 0.4550 -0.1862 47 ILE A O 83 C CB . ILE A 16 ? 0.9266 0.9638 0.7170 -0.0672 0.4314 -0.1847 47 ILE A CB 84 C CG1 . ILE A 16 ? 0.8853 0.9477 0.7360 -0.0652 0.4148 -0.1728 47 ILE A CG1 85 C CG2 . ILE A 16 ? 0.9222 0.9619 0.7356 -0.0522 0.4248 -0.2012 47 ILE A CG2 86 C CD1 . ILE A 16 ? 0.9122 1.0059 0.8290 -0.0669 0.4400 -0.1816 47 ILE A CD1 87 N N . LEU A 17 ? 0.9662 0.9340 0.5950 -0.0682 0.4024 -0.1858 48 LEU A N 88 C CA . LEU A 17 ? 1.0117 0.9535 0.5748 -0.0713 0.4064 -0.1956 48 LEU A CA 89 C C . LEU A 17 ? 1.0309 0.9759 0.6117 -0.0659 0.4290 -0.2208 48 LEU A C 90 O O . LEU A 17 ? 0.9887 0.9521 0.6319 -0.0543 0.4253 -0.2292 48 LEU A O 91 C CB . LEU A 17 ? 0.9951 0.9241 0.5343 -0.0653 0.3701 -0.1897 48 LEU A CB 92 C CG . LEU A 17 ? 0.9964 0.9197 0.5160 -0.0677 0.3421 -0.1661 48 LEU A CG 93 C CD1 . LEU A 17 ? 0.9639 0.8868 0.4931 -0.0581 0.3085 -0.1639 48 LEU A CD1 94 C CD2 . LEU A 17 ? 1.0928 0.9910 0.5360 -0.0790 0.3467 -0.1579 48 LEU A CD2 95 N N . ASN A 18 ? 1.0789 1.0037 0.6020 -0.0738 0.4505 -0.2327 49 ASN A N 96 C CA . ASN A 18 ? 1.1198 1.0436 0.6524 -0.0694 0.4745 -0.2591 49 ASN A CA 97 C C . ASN A 18 ? 1.1058 1.0169 0.6310 -0.0601 0.4533 -0.2719 49 ASN A C 98 O O . ASN A 18 ? 1.0775 0.9784 0.5782 -0.0593 0.4208 -0.2604 49 ASN A O 99 C CB . ASN A 18 ? 1.1973 1.1053 0.6735 -0.0823 0.5112 -0.2694 49 ASN A CB 100 C CG . ASN A 18 ? 1.2970 1.1729 0.6797 -0.0923 0.4992 -0.2631 49 ASN A CG 101 O OD1 . ASN A 18 ? 1.2271 1.0895 0.5842 -0.0881 0.4707 -0.2644 49 ASN A OD1 102 N ND2 . ASN A 18 ? 1.4786 1.3423 0.8105 -0.1060 0.5218 -0.2565 49 ASN A ND2 103 N N . SER A 19 ? 1.1249 1.0361 0.6716 -0.0537 0.4735 -0.2964 50 SER A N 104 C CA . SER A 19 ? 1.1224 1.0198 0.6666 -0.0454 0.4581 -0.3120 50 SER A CA 105 C C . SER A 19 ? 1.1382 1.0087 0.6089 -0.0526 0.4351 -0.3103 50 SER A C 106 O O . SER A 19 ? 1.1099 0.9758 0.5880 -0.0468 0.4054 -0.3079 50 SER A O 107 C CB . SER A 19 ? 1.1557 1.0502 0.7161 -0.0409 0.4909 -0.3411 50 SER A CB 108 O OG . SER A 19 ? 1.1303 1.0500 0.7754 -0.0277 0.4982 -0.3447 50 SER A OG 109 N N . SER A 20 ? 1.1816 1.0347 0.5823 -0.0653 0.4497 -0.3118 51 SER A N 110 C CA . SER A 20 ? 1.2093 1.0379 0.5347 -0.0735 0.4290 -0.3088 51 SER A CA 111 C C . SER A 20 ? 1.1581 0.9923 0.4874 -0.0719 0.3901 -0.2825 51 SER A C 112 O O . SER A 20 ? 1.1516 0.9776 0.4674 -0.0698 0.3600 -0.2814 51 SER A O 113 C CB . SER A 20 ? 1.2749 1.0888 0.5326 -0.0874 0.4532 -0.3074 51 SER A CB 114 O OG . SER A 20 ? 1.3441 1.1315 0.5273 -0.0949 0.4478 -0.3189 51 SER A OG 115 N N . ALA A 21 ? 1.1151 0.9638 0.4662 -0.0732 0.3919 -0.2620 52 ALA A N 116 C CA . ALA A 21 ? 1.0627 0.9160 0.4165 -0.0721 0.3598 -0.2375 52 ALA A CA 117 C C . ALA A 21 ? 1.0013 0.8703 0.4185 -0.0596 0.3353 -0.2358 52 ALA A C 118 O O . ALA A 21 ? 0.9675 0.8356 0.3802 -0.0574 0.3040 -0.2224 52 ALA A O 119 C CB . ALA A 21 ? 1.0505 0.9129 0.4110 -0.0777 0.3716 -0.2184 52 ALA A CB 120 N N . LEU A 22 ? 0.9768 0.8594 0.4519 -0.0511 0.3499 -0.2496 53 LEU A N 121 C CA . LEU A 22 ? 0.9246 0.8181 0.4545 -0.0394 0.3285 -0.2490 53 LEU A CA 122 C C . LEU A 22 ? 0.9328 0.8084 0.4354 -0.0385 0.3091 -0.2595 53 LEU A C 123 O O . LEU A 22 ? 0.8877 0.7643 0.3966 -0.0358 0.2793 -0.2481 53 LEU A O 124 C CB . LEU A 22 ? 0.9027 0.8146 0.5019 -0.0295 0.3480 -0.2598 53 LEU A CB 125 C CG . LEU A 22 ? 0.8647 0.8003 0.5049 -0.0297 0.3593 -0.2466 53 LEU A CG 126 C CD1 . LEU A 22 ? 0.8445 0.8009 0.5527 -0.0207 0.3806 -0.2582 53 LEU A CD1 127 C CD2 . LEU A 22 ? 0.7383 0.6839 0.3959 -0.0279 0.3303 -0.2238 53 LEU A CD2 128 N N . ARG A 23 ? 0.9790 0.8378 0.4487 -0.0423 0.3266 -0.2816 54 ARG A N 129 C CA . ARG A 23 ? 1.0039 0.8443 0.4461 -0.0434 0.3100 -0.2947 54 ARG A CA 130 C C . ARG A 23 ? 0.9997 0.8330 0.3954 -0.0503 0.2794 -0.2788 54 ARG A C 131 O O . ARG A 23 ? 0.9814 0.8107 0.3805 -0.0486 0.2539 -0.2790 54 ARG A O 132 C CB . ARG A 23 ? 1.0724 0.8937 0.4775 -0.0483 0.3356 -0.3222 54 ARG A CB 133 C CG . ARG A 23 ? 1.1134 0.9183 0.5169 -0.0462 0.3249 -0.3424 54 ARG A CG 134 C CD . ARG A 23 ? 1.2313 1.0225 0.6318 -0.0453 0.3569 -0.3729 54 ARG A CD 135 N NE . ARG A 23 ? 1.2379 1.0425 0.7132 -0.0318 0.3728 -0.3792 54 ARG A NE 136 C CZ . ARG A 23 ? 1.2624 1.0754 0.7613 -0.0280 0.4071 -0.3896 54 ARG A CZ 137 N NH1 . ARG A 23 ? 1.2839 1.0919 0.7351 -0.0379 0.4324 -0.3955 54 ARG A NH1 138 N NH2 . ARG A 23 ? 1.2303 1.0571 0.8018 -0.0142 0.4162 -0.3936 54 ARG A NH2 139 N N . GLN A 24 ? 1.0208 0.8532 0.3772 -0.0576 0.2821 -0.2641 55 GLN A N 140 C CA . GLN A 24 ? 1.0322 0.8576 0.3428 -0.0634 0.2549 -0.2479 55 GLN A CA 141 C C . GLN A 24 ? 0.9733 0.8138 0.3266 -0.0563 0.2265 -0.2296 55 GLN A C 142 O O . GLN A 24 ? 0.9741 0.8111 0.3124 -0.0570 0.1991 -0.2251 55 GLN A O 143 C CB . GLN A 24 ? 1.0717 0.8921 0.3384 -0.0713 0.2674 -0.2341 55 GLN A CB 144 C CG . GLN A 24 ? 1.1168 0.9233 0.3197 -0.0783 0.2450 -0.2208 55 GLN A CG 145 C CD . GLN A 24 ? 1.2214 1.0114 0.3605 -0.0887 0.2670 -0.2188 55 GLN A CD 146 O OE1 . GLN A 24 ? 1.2415 1.0208 0.3553 -0.0937 0.2927 -0.2384 55 GLN A OE1 147 N NE2 . GLN A 24 ? 1.2376 1.0242 0.3502 -0.0919 0.2576 -0.1950 55 GLN A NE2 148 N N . ILE A 25 ? 0.9211 0.7794 0.3285 -0.0497 0.2335 -0.2200 56 ILE A N 149 C CA . ILE A 25 ? 0.8673 0.7396 0.3137 -0.0433 0.2097 -0.2028 56 ILE A CA 150 C C . ILE A 25 ? 0.8416 0.7154 0.3227 -0.0367 0.1967 -0.2128 56 ILE A C 151 O O . ILE A 25 ? 0.8272 0.7036 0.3146 -0.0351 0.1709 -0.2034 56 ILE A O 152 C CB . ILE A 25 ? 0.8310 0.7215 0.3227 -0.0392 0.2201 -0.1901 56 ILE A CB 153 C CG1 . ILE A 25 ? 0.8682 0.7549 0.3247 -0.0474 0.2346 -0.1795 56 ILE A CG1 154 C CG2 . ILE A 25 ? 0.7454 0.6489 0.2742 -0.0328 0.1950 -0.1738 56 ILE A CG2 155 C CD1 . ILE A 25 ? 0.8869 0.7543 0.2728 -0.0558 0.2255 -0.1747 56 ILE A CD1 156 N N . ALA A 26 ? 0.8398 0.7112 0.3447 -0.0330 0.2154 -0.2314 57 ALA A N 157 C CA . ALA A 26 ? 0.8191 0.6876 0.3551 -0.0271 0.2049 -0.2414 57 ALA A CA 158 C C . ALA A 26 ? 0.8426 0.6957 0.3381 -0.0337 0.1859 -0.2484 57 ALA A C 159 O O . ALA A 26 ? 0.8230 0.6777 0.3374 -0.0316 0.1642 -0.2440 57 ALA A O 160 C CB . ALA A 26 ? 0.8244 0.6897 0.3889 -0.0216 0.2294 -0.2612 57 ALA A CB 161 N N . GLU A 27 ? 0.8858 0.7249 0.3246 -0.0426 0.1934 -0.2584 58 GLU A N 162 C CA . GLU A 27 ? 0.9141 0.7396 0.3119 -0.0500 0.1744 -0.2666 58 GLU A CA 163 C C . GLU A 27 ? 0.8942 0.7258 0.2713 -0.0532 0.1458 -0.2471 58 GLU A C 164 O O . GLU A 27 ? 0.9148 0.7420 0.2806 -0.0569 0.1245 -0.2514 58 GLU A O 165 C CB . GLU A 27 ? 0.9743 0.7817 0.3117 -0.0590 0.1895 -0.2838 58 GLU A CB 166 C CG . GLU A 27 ? 1.0406 0.8387 0.3849 -0.0576 0.2203 -0.3067 58 GLU A CG 167 C CD . GLU A 27 ? 1.1500 0.9316 0.4257 -0.0677 0.2375 -0.3188 58 GLU A CD 168 O OE1 . GLU A 27 ? 1.2262 0.9907 0.4585 -0.0752 0.2292 -0.3349 58 GLU A OE1 169 O OE2 . GLU A 27 ? 1.1611 0.9465 0.4244 -0.0690 0.2589 -0.3118 58 GLU A OE2 170 N N . GLY A 28 ? 0.8599 0.7005 0.2304 -0.0525 0.1455 -0.2270 59 GLY A N 171 C CA . GLY A 28 ? 0.8584 0.7019 0.2031 -0.0551 0.1201 -0.2095 59 GLY A CA 172 C C . GLY A 28 ? 0.8116 0.6710 0.2022 -0.0486 0.0988 -0.1944 59 GLY A C 173 O O . GLY A 28 ? 0.8003 0.6647 0.1786 -0.0491 0.0779 -0.1793 59 GLY A O 174 N N . THR A 29 ? 0.7819 0.6487 0.2245 -0.0422 0.1045 -0.1980 60 THR A N 175 C CA . THR A 29 ? 0.7421 0.6219 0.2264 -0.0368 0.0853 -0.1856 60 THR A CA 176 C C . THR A 29 ? 0.7530 0.6274 0.2524 -0.0381 0.0750 -0.1992 60 THR A C 177 O O . THR A 29 ? 0.8015 0.6644 0.3016 -0.0392 0.0882 -0.2178 60 THR A O 178 C CB . THR A 29 ? 0.6952 0.5872 0.2272 -0.0288 0.0954 -0.1761 60 THR A CB 179 O OG1 . THR A 29 ? 0.6971 0.5995 0.2636 -0.0244 0.0773 -0.1648 60 THR A OG1 180 C CG2 . THR A 29 ? 0.7141 0.6020 0.2714 -0.0252 0.1163 -0.1918 60 THR A CG2 181 N N . SER A 30 ? 0.7383 0.6203 0.2499 -0.0385 0.0524 -0.1903 61 SER A N 182 C CA . SER A 30 ? 0.7262 0.6034 0.2513 -0.0418 0.0411 -0.2016 61 SER A CA 183 C C . SER A 30 ? 0.6808 0.5683 0.2548 -0.0360 0.0340 -0.1901 61 SER A C 184 O O . SER A 30 ? 0.6577 0.5580 0.2398 -0.0343 0.0208 -0.1739 61 SER A O 185 C CB . SER A 30 ? 0.7360 0.6147 0.2312 -0.0492 0.0189 -0.2014 61 SER A CB 186 O OG . SER A 30 ? 0.7268 0.6040 0.2409 -0.0536 0.0066 -0.2105 61 SER A OG 187 N N . ILE A 31 ? 0.6728 0.5533 0.2779 -0.0329 0.0426 -0.1983 62 ILE A N 188 C CA . ILE A 31 ? 0.6423 0.5307 0.2891 -0.0277 0.0357 -0.1858 62 ILE A CA 189 C C . ILE A 31 ? 0.6417 0.5332 0.2906 -0.0343 0.0156 -0.1838 62 ILE A C 190 O O . ILE A 31 ? 0.5926 0.4960 0.2620 -0.0320 0.0057 -0.1686 62 ILE A O 191 C CB . ILE A 31 ? 0.6364 0.5149 0.3160 -0.0216 0.0495 -0.1933 62 ILE A CB 192 C CG1 . ILE A 31 ? 0.5901 0.4761 0.3091 -0.0154 0.0429 -0.1775 62 ILE A CG1 193 C CG2 . ILE A 31 ? 0.6679 0.5268 0.3392 -0.0276 0.0527 -0.2152 62 ILE A CG2 194 C CD1 . ILE A 31 ? 0.5032 0.4068 0.2290 -0.0103 0.0399 -0.1581 62 ILE A CD1 195 N N . SER A 32 ? 0.6781 0.5600 0.3047 -0.0431 0.0099 -0.1998 63 SER A N 196 C CA . SER A 32 ? 0.6879 0.5738 0.3209 -0.0507 -0.0087 -0.2005 63 SER A CA 197 C C . SER A 32 ? 0.6857 0.5899 0.3055 -0.0518 -0.0256 -0.1866 63 SER A C 198 O O . SER A 32 ? 0.6772 0.5934 0.3184 -0.0533 -0.0386 -0.1776 63 SER A O 199 C CB . SER A 32 ? 0.7265 0.5974 0.3393 -0.0607 -0.0110 -0.2230 63 SER A CB 200 O OG . SER A 32 ? 0.7800 0.6493 0.3477 -0.0640 -0.0117 -0.2298 63 SER A OG 201 N N . GLU A 33 ? 0.7111 0.6171 0.2968 -0.0506 -0.0244 -0.1842 64 GLU A N 202 C CA . GLU A 33 ? 0.7085 0.6293 0.2807 -0.0496 -0.0395 -0.1698 64 GLU A CA 203 C C . GLU A 33 ? 0.6657 0.5995 0.2685 -0.0415 -0.0388 -0.1503 64 GLU A C 204 O O . GLU A 33 ? 0.6382 0.5861 0.2513 -0.0408 -0.0532 -0.1395 64 GLU A O 205 C CB . GLU A 33 ? 0.7423 0.6576 0.2708 -0.0492 -0.0348 -0.1694 64 GLU A CB 206 C CG . GLU A 33 ? 0.7873 0.7089 0.2858 -0.0528 -0.0548 -0.1655 64 GLU A CG 207 C CD . GLU A 33 ? 0.8688 0.7807 0.3378 -0.0625 -0.0626 -0.1845 64 GLU A CD 208 O OE1 . GLU A 33 ? 0.8836 0.7969 0.3741 -0.0683 -0.0703 -0.1954 64 GLU A OE1 209 O OE2 . GLU A 33 ? 0.9418 0.8440 0.3646 -0.0651 -0.0610 -0.1885 64 GLU A OE2 210 N N . MET A 34 ? 0.6435 0.5731 0.2614 -0.0353 -0.0222 -0.1469 65 MET A N 211 C CA . MET A 34 ? 0.6122 0.5520 0.2547 -0.0283 -0.0207 -0.1305 65 MET A CA 212 C C . MET A 34 ? 0.5925 0.5381 0.2681 -0.0290 -0.0287 -0.1267 65 MET A C 213 O O . MET A 34 ? 0.5739 0.5318 0.2642 -0.0261 -0.0359 -0.1131 65 MET A O 214 C CB . MET A 34 ? 0.5994 0.5341 0.2531 -0.0223 -0.0021 -0.1299 65 MET A CB 215 C CG . MET A 34 ? 0.5861 0.5318 0.2639 -0.0157 -0.0024 -0.1131 65 MET A CG 216 S SD . MET A 34 ? 0.5444 0.4891 0.2559 -0.0083 0.0119 -0.1106 65 MET A SD 217 C CE . MET A 34 ? 0.5675 0.5052 0.3049 -0.0097 0.0064 -0.1153 65 MET A CE 218 N N . TRP A 35 ? 0.6117 0.5466 0.2986 -0.0331 -0.0256 -0.1390 66 TRP A N 219 C CA . TRP A 35 ? 0.5934 0.5293 0.3108 -0.0351 -0.0301 -0.1360 66 TRP A CA 220 C C . TRP A 35 ? 0.5829 0.5326 0.3026 -0.0410 -0.0466 -0.1324 66 TRP A C 221 O O . TRP A 35 ? 0.5556 0.5162 0.2964 -0.0394 -0.0509 -0.1203 66 TRP A O 222 C CB . TRP A 35 ? 0.6135 0.5314 0.3386 -0.0394 -0.0235 -0.1516 66 TRP A CB 223 C CG . TRP A 35 ? 0.6186 0.5313 0.3763 -0.0370 -0.0200 -0.1449 66 TRP A CG 224 C CD1 . TRP A 35 ? 0.6018 0.5164 0.3785 -0.0427 -0.0275 -0.1409 66 TRP A CD1 225 C CD2 . TRP A 35 ? 0.5993 0.5039 0.3741 -0.0283 -0.0083 -0.1402 66 TRP A CD2 226 N NE1 . TRP A 35 ? 0.5815 0.4874 0.3823 -0.0382 -0.0211 -0.1328 66 TRP A NE1 227 C CE2 . TRP A 35 ? 0.5865 0.4863 0.3872 -0.0289 -0.0104 -0.1324 66 TRP A CE2 228 C CE3 . TRP A 35 ? 0.6114 0.5131 0.3836 -0.0204 0.0038 -0.1419 66 TRP A CE3 229 C CZ2 . TRP A 35 ? 0.5832 0.4742 0.4050 -0.0208 -0.0031 -0.1253 66 TRP A CZ2 230 C CZ3 . TRP A 35 ? 0.6100 0.5062 0.4076 -0.0123 0.0110 -0.1358 66 TRP A CZ3 231 C CH2 . TRP A 35 ? 0.6274 0.5177 0.4485 -0.0121 0.0065 -0.1271 66 TRP A CH2 232 N N . GLN A 36 ? 0.6117 0.5617 0.3092 -0.0477 -0.0558 -0.1434 67 GLN A N 233 C CA . GLN A 36 ? 0.6132 0.5773 0.3167 -0.0540 -0.0727 -0.1430 67 GLN A CA 234 C C . GLN A 36 ? 0.5927 0.5743 0.2885 -0.0483 -0.0823 -0.1289 67 GLN A C 235 O O . GLN A 36 ? 0.5888 0.5866 0.3041 -0.0490 -0.0925 -0.1218 67 GLN A O 236 C CB . GLN A 36 ? 0.6623 0.6200 0.3464 -0.0639 -0.0812 -0.1612 67 GLN A CB 237 C CG . GLN A 36 ? 0.7040 0.6797 0.3953 -0.0707 -0.1011 -0.1618 67 GLN A CG 238 C CD . GLN A 36 ? 0.7932 0.7643 0.4570 -0.0798 -0.1126 -0.1790 67 GLN A CD 239 O OE1 . GLN A 36 ? 0.8559 0.8082 0.5084 -0.0855 -0.1051 -0.1952 67 GLN A OE1 240 N NE2 . GLN A 36 ? 0.7913 0.7791 0.4436 -0.0808 -0.1315 -0.1760 67 GLN A NE2 241 N N . ASN A 37 ? 0.5775 0.5553 0.2467 -0.0426 -0.0781 -0.1248 68 ASN A N 242 C CA . ASN A 37 ? 0.5651 0.5552 0.2224 -0.0378 -0.0886 -0.1130 68 ASN A CA 243 C C . ASN A 37 ? 0.5250 0.5186 0.1916 -0.0289 -0.0807 -0.0977 68 ASN A C 244 O O . ASN A 37 ? 0.5242 0.5298 0.1954 -0.0245 -0.0893 -0.0868 68 ASN A O 245 C CB . ASN A 37 ? 0.5990 0.5820 0.2138 -0.0393 -0.0938 -0.1182 68 ASN A CB 246 C CG . ASN A 37 ? 0.6279 0.6104 0.2320 -0.0487 -0.1063 -0.1331 68 ASN A CG 247 O OD1 . ASN A 37 ? 0.6066 0.6002 0.2375 -0.0533 -0.1159 -0.1360 68 ASN A OD1 248 N ND2 . ASN A 37 ? 0.6972 0.6666 0.2620 -0.0526 -0.1057 -0.1436 68 ASN A ND2 249 N N . ASP A 38 ? 0.5196 0.5031 0.1910 -0.0261 -0.0648 -0.0975 69 ASP A N 250 C CA . ASP A 38 ? 0.4924 0.4785 0.1712 -0.0187 -0.0574 -0.0844 69 ASP A CA 251 C C . ASP A 38 ? 0.4695 0.4591 0.1809 -0.0172 -0.0533 -0.0797 69 ASP A C 252 O O . ASP A 38 ? 0.4528 0.4505 0.1755 -0.0129 -0.0546 -0.0686 69 ASP A O 253 C CB . ASP A 38 ? 0.5095 0.4843 0.1712 -0.0164 -0.0432 -0.0861 69 ASP A CB 254 C CG . ASP A 38 ? 0.5746 0.5455 0.2006 -0.0167 -0.0455 -0.0848 69 ASP A CG 255 O OD1 . ASP A 38 ? 0.7024 0.6621 0.3047 -0.0201 -0.0375 -0.0946 69 ASP A OD1 256 O OD2 . ASP A 38 ? 0.6011 0.5788 0.2211 -0.0137 -0.0552 -0.0741 69 ASP A OD2 257 N N . LEU A 39 ? 0.4705 0.4522 0.1950 -0.0208 -0.0482 -0.0881 70 LEU A N 258 C CA . LEU A 39 ? 0.4543 0.4344 0.2054 -0.0187 -0.0423 -0.0825 70 LEU A CA 259 C C . LEU A 39 ? 0.4425 0.4297 0.2134 -0.0233 -0.0496 -0.0800 70 LEU A C 260 O O . LEU A 39 ? 0.4114 0.4052 0.1970 -0.0206 -0.0490 -0.0691 70 LEU A O 261 C CB . LEU A 39 ? 0.4612 0.4261 0.2178 -0.0184 -0.0314 -0.0912 70 LEU A CB 262 C CG . LEU A 39 ? 0.4730 0.4319 0.2554 -0.0168 -0.0272 -0.0867 70 LEU A CG 263 C CD1 . LEU A 39 ? 0.4210 0.3874 0.2136 -0.0102 -0.0259 -0.0716 70 LEU A CD1 264 C CD2 . LEU A 39 ? 0.4447 0.3877 0.2298 -0.0154 -0.0171 -0.0977 70 LEU A CD2 265 N N . GLN A 40 ? 0.4542 0.4405 0.2251 -0.0312 -0.0559 -0.0906 71 GLN A N 266 C CA . GLN A 40 ? 0.4637 0.4570 0.2570 -0.0373 -0.0609 -0.0892 71 GLN A CA 267 C C . GLN A 40 ? 0.4552 0.4677 0.2561 -0.0347 -0.0677 -0.0785 71 GLN A C 268 O O . GLN A 40 ? 0.4415 0.4583 0.2613 -0.0345 -0.0639 -0.0699 71 GLN A O 269 C CB . GLN A 40 ? 0.4825 0.4715 0.2778 -0.0478 -0.0667 -0.1037 71 GLN A CB 270 C CG . GLN A 40 ? 0.5226 0.4910 0.3255 -0.0504 -0.0570 -0.1106 71 GLN A CG 271 C CD . GLN A 40 ? 0.6239 0.5822 0.4207 -0.0598 -0.0605 -0.1283 71 GLN A CD 272 O OE1 . GLN A 40 ? 0.6794 0.6209 0.4883 -0.0640 -0.0542 -0.1346 71 GLN A OE1 273 N NE2 . GLN A 40 ? 0.6137 0.5801 0.3903 -0.0632 -0.0709 -0.1368 71 GLN A NE2 274 N N . PRO A 41 ? 0.4471 0.4693 0.2320 -0.0316 -0.0762 -0.0778 72 PRO A N 275 C CA . PRO A 41 ? 0.4320 0.4713 0.2306 -0.0281 -0.0809 -0.0678 72 PRO A CA 276 C C . PRO A 41 ? 0.4123 0.4506 0.2174 -0.0214 -0.0715 -0.0559 72 PRO A C 277 O O . PRO A 41 ? 0.4183 0.4690 0.2380 -0.0199 -0.0726 -0.0493 72 PRO A O 278 C CB . PRO A 41 ? 0.4363 0.4833 0.2166 -0.0242 -0.0918 -0.0675 72 PRO A CB 279 C CG . PRO A 41 ? 0.4649 0.5034 0.2266 -0.0307 -0.0972 -0.0807 72 PRO A CG 280 C CD . PRO A 41 ? 0.4758 0.4960 0.2342 -0.0321 -0.0835 -0.0854 72 PRO A CD 281 N N . LEU A 42 ? 0.4088 0.4334 0.2050 -0.0178 -0.0623 -0.0539 73 LEU A N 282 C CA . LEU A 42 ? 0.3883 0.4127 0.1894 -0.0119 -0.0554 -0.0430 73 LEU A CA 283 C C . LEU A 42 ? 0.3904 0.4101 0.2076 -0.0145 -0.0496 -0.0391 73 LEU A C 284 O O . LEU A 42 ? 0.3737 0.3934 0.1932 -0.0105 -0.0453 -0.0303 73 LEU A O 285 C CB . LEU A 42 ? 0.3784 0.3929 0.1663 -0.0068 -0.0492 -0.0415 73 LEU A CB 286 C CG . LEU A 42 ? 0.4478 0.4638 0.2168 -0.0026 -0.0511 -0.0400 73 LEU A CG 287 C CD1 . LEU A 42 ? 0.5128 0.5192 0.2731 0.0004 -0.0424 -0.0399 73 LEU A CD1 288 C CD2 . LEU A 42 ? 0.3894 0.4151 0.1609 0.0015 -0.0549 -0.0315 73 LEU A CD2 289 N N . LEU A 43 ? 0.4125 0.4252 0.2383 -0.0212 -0.0490 -0.0456 74 LEU A N 290 C CA . LEU A 43 ? 0.4170 0.4202 0.2559 -0.0238 -0.0429 -0.0410 74 LEU A CA 291 C C . LEU A 43 ? 0.4028 0.4171 0.2559 -0.0286 -0.0430 -0.0356 74 LEU A C 292 O O . LEU A 43 ? 0.4096 0.4238 0.2759 -0.0372 -0.0432 -0.0395 74 LEU A O 293 C CB . LEU A 43 ? 0.4368 0.4246 0.2792 -0.0287 -0.0410 -0.0503 74 LEU A CB 294 C CG . LEU A 43 ? 0.4656 0.4415 0.2979 -0.0225 -0.0368 -0.0541 74 LEU A CG 295 C CD1 . LEU A 43 ? 0.4916 0.4520 0.3268 -0.0269 -0.0344 -0.0661 74 LEU A CD1 296 C CD2 . LEU A 43 ? 0.4485 0.4195 0.2849 -0.0156 -0.0321 -0.0429 74 LEU A CD2 297 N N . ILE A 44 ? 0.3820 0.4064 0.2327 -0.0236 -0.0422 -0.0277 75 ILE A N 298 C CA . ILE A 44 ? 0.3583 0.3958 0.2217 -0.0268 -0.0406 -0.0235 75 ILE A CA 299 C C . ILE A 44 ? 0.3448 0.3792 0.2010 -0.0214 -0.0345 -0.0133 75 ILE A C 300 O O . ILE A 44 ? 0.3368 0.3642 0.1796 -0.0148 -0.0348 -0.0109 75 ILE A O 301 C CB . ILE A 44 ? 0.3475 0.4041 0.2153 -0.0250 -0.0479 -0.0274 75 ILE A CB 302 C CG1 . ILE A 44 ? 0.3325 0.3900 0.1839 -0.0155 -0.0509 -0.0249 75 ILE A CG1 303 C CG2 . ILE A 44 ? 0.4049 0.4662 0.2777 -0.0311 -0.0572 -0.0387 75 ILE A CG2 304 C CD1 . ILE A 44 ? 0.2936 0.3677 0.1487 -0.0120 -0.0594 -0.0270 75 ILE A CD1 305 N N . GLU A 45 ? 0.3244 0.3642 0.1888 -0.0248 -0.0286 -0.0079 76 GLU A N 306 C CA . GLU A 45 ? 0.3345 0.3720 0.1887 -0.0204 -0.0234 0.0004 76 GLU A CA 307 C C . GLU A 45 ? 0.3429 0.3914 0.1917 -0.0127 -0.0271 -0.0015 76 GLU A C 308 O O . GLU A 45 ? 0.3484 0.4119 0.2079 -0.0122 -0.0296 -0.0054 76 GLU A O 309 C CB . GLU A 45 ? 0.3228 0.3643 0.1849 -0.0264 -0.0145 0.0055 76 GLU A CB 310 C CG . GLU A 45 ? 0.3612 0.3945 0.2064 -0.0233 -0.0086 0.0144 76 GLU A CG 311 C CD . GLU A 45 ? 0.4359 0.4701 0.2838 -0.0303 0.0023 0.0201 76 GLU A CD 312 O OE1 . GLU A 45 ? 0.4837 0.5315 0.3509 -0.0357 0.0059 0.0157 76 GLU A OE1 313 O OE2 . GLU A 45 ? 0.4619 0.4839 0.2927 -0.0309 0.0075 0.0287 76 GLU A OE2 314 N N . ARG A 46 ? 0.3411 0.3822 0.1748 -0.0064 -0.0279 0.0014 77 ARG A N 315 C CA . ARG A 46 ? 0.3122 0.3600 0.1402 0.0002 -0.0311 -0.0002 77 ARG A CA 316 C C . ARG A 46 ? 0.3138 0.3548 0.1288 0.0041 -0.0279 0.0047 77 ARG A C 317 O O . ARG A 46 ? 0.3197 0.3568 0.1257 0.0084 -0.0307 0.0042 77 ARG A O 318 C CB . ARG A 46 ? 0.3005 0.3459 0.1228 0.0025 -0.0379 -0.0051 77 ARG A CB 319 C CG . ARG A 46 ? 0.3104 0.3429 0.1266 0.0014 -0.0374 -0.0057 77 ARG A CG 320 C CD . ARG A 46 ? 0.2732 0.3029 0.0832 0.0019 -0.0416 -0.0126 77 ARG A CD 321 N NE . ARG A 46 ? 0.2752 0.2938 0.0815 0.0029 -0.0385 -0.0126 77 ARG A NE 322 C CZ . ARG A 46 ? 0.3293 0.3396 0.1429 0.0003 -0.0362 -0.0129 77 ARG A CZ 323 N NH1 . ARG A 46 ? 0.3201 0.3294 0.1437 -0.0052 -0.0358 -0.0135 77 ARG A NH1 324 N NH2 . ARG A 46 ? 0.3183 0.3206 0.1313 0.0034 -0.0340 -0.0124 77 ARG A NH2 325 N N . TYR A 47 ? 0.3288 0.3678 0.1415 0.0019 -0.0218 0.0094 78 TYR A N 326 C CA . TYR A 47 ? 0.3331 0.3663 0.1317 0.0052 -0.0204 0.0124 78 TYR A CA 327 C C . TYR A 47 ? 0.3415 0.3814 0.1389 0.0105 -0.0194 0.0094 78 TYR A C 328 O O . TYR A 47 ? 0.3696 0.4204 0.1793 0.0116 -0.0188 0.0064 78 TYR A O 329 C CB . TYR A 47 ? 0.3416 0.3686 0.1327 0.0010 -0.0148 0.0185 78 TYR A CB 330 C CG . TYR A 47 ? 0.3625 0.3974 0.1596 -0.0023 -0.0061 0.0184 78 TYR A CG 331 C CD1 . TYR A 47 ? 0.3570 0.3944 0.1663 -0.0091 -0.0019 0.0198 78 TYR A CD1 332 C CD2 . TYR A 47 ? 0.4059 0.4459 0.1981 0.0009 -0.0007 0.0162 78 TYR A CD2 333 C CE1 . TYR A 47 ? 0.3842 0.4310 0.2019 -0.0131 0.0082 0.0195 78 TYR A CE1 334 C CE2 . TYR A 47 ? 0.3993 0.4484 0.1994 -0.0018 0.0097 0.0153 78 TYR A CE2 335 C CZ . TYR A 47 ? 0.3839 0.4375 0.1975 -0.0090 0.0143 0.0171 78 TYR A CZ 336 O OH . TYR A 47 ? 0.3777 0.4423 0.2023 -0.0122 0.0258 0.0156 78 TYR A OH 337 N N . PRO A 48 ? 0.3542 0.3875 0.1386 0.0137 -0.0198 0.0099 79 PRO A N 338 C CA . PRO A 48 ? 0.3550 0.3906 0.1382 0.0191 -0.0190 0.0069 79 PRO A CA 339 C C . PRO A 48 ? 0.3583 0.4022 0.1490 0.0210 -0.0120 0.0048 79 PRO A C 340 O O . PRO A 48 ? 0.3953 0.4389 0.1816 0.0180 -0.0045 0.0057 79 PRO A O 341 C CB . PRO A 48 ? 0.3576 0.3825 0.1254 0.0197 -0.0200 0.0074 79 PRO A CB 342 C CG . PRO A 48 ? 0.3365 0.3570 0.1022 0.0166 -0.0243 0.0102 79 PRO A CG 343 C CD . PRO A 48 ? 0.3570 0.3803 0.1286 0.0126 -0.0218 0.0130 79 PRO A CD 344 N N . GLY A 49 ? 0.3515 0.4026 0.1532 0.0265 -0.0144 0.0022 80 GLY A N 345 C CA . GLY A 49 ? 0.3580 0.4207 0.1746 0.0299 -0.0087 -0.0005 80 GLY A CA 346 C C . GLY A 49 ? 0.3420 0.4209 0.1800 0.0264 -0.0071 -0.0014 80 GLY A C 347 O O . GLY A 49 ? 0.3437 0.4357 0.1998 0.0304 -0.0038 -0.0043 80 GLY A O 348 N N . SER A 50 ? 0.3450 0.4232 0.1835 0.0189 -0.0092 0.0005 81 SER A N 349 C CA . SER A 50 ? 0.3020 0.3937 0.1612 0.0129 -0.0082 -0.0007 81 SER A CA 350 C C . SER A 50 ? 0.2957 0.3996 0.1710 0.0164 -0.0193 -0.0043 81 SER A C 351 O O . SER A 50 ? 0.2717 0.3693 0.1366 0.0216 -0.0278 -0.0041 81 SER A O 352 C CB . SER A 50 ? 0.3121 0.3934 0.1636 0.0047 -0.0093 0.0023 81 SER A CB 353 O OG . SER A 50 ? 0.2938 0.3707 0.1420 0.0057 -0.0200 0.0006 81 SER A OG 354 N N . PRO A 51 ? 0.2682 0.3894 0.1682 0.0123 -0.0195 -0.0073 82 PRO A N 355 C CA . PRO A 51 ? 0.2627 0.3963 0.1773 0.0139 -0.0322 -0.0109 82 PRO A CA 356 C C . PRO A 51 ? 0.2697 0.3916 0.1693 0.0096 -0.0410 -0.0115 82 PRO A C 357 O O . PRO A 51 ? 0.3057 0.4280 0.1998 0.0135 -0.0529 -0.0132 82 PRO A O 358 C CB . PRO A 51 ? 0.2601 0.4150 0.2063 0.0078 -0.0279 -0.0144 82 PRO A CB 359 C CG . PRO A 51 ? 0.2637 0.4175 0.2097 0.0076 -0.0085 -0.0119 82 PRO A CG 360 C CD . PRO A 51 ? 0.2700 0.3996 0.1846 0.0050 -0.0071 -0.0073 82 PRO A CD 361 N N . GLY A 52 ? 0.2882 0.3979 0.1789 0.0020 -0.0353 -0.0101 83 GLY A N 362 C CA . GLY A 52 ? 0.2868 0.3824 0.1619 -0.0006 -0.0412 -0.0113 83 GLY A CA 363 C C . GLY A 52 ? 0.2870 0.3707 0.1402 0.0068 -0.0447 -0.0093 83 GLY A C 364 O O . GLY A 52 ? 0.2867 0.3660 0.1297 0.0079 -0.0527 -0.0120 83 GLY A O 365 N N . SER A 53 ? 0.2634 0.3416 0.1081 0.0112 -0.0386 -0.0050 84 SER A N 366 C CA . SER A 53 ? 0.2942 0.3631 0.1218 0.0177 -0.0421 -0.0036 84 SER A CA 367 C C . SER A 53 ? 0.3319 0.4061 0.1591 0.0231 -0.0515 -0.0049 84 SER A C 368 O O . SER A 53 ? 0.3043 0.3690 0.1154 0.0245 -0.0557 -0.0046 84 SER A O 369 C CB . SER A 53 ? 0.3048 0.3684 0.1252 0.0220 -0.0360 -0.0004 84 SER A CB 370 O OG . SER A 53 ? 0.3484 0.4014 0.1536 0.0260 -0.0389 0.0008 84 SER A OG 371 N N . TYR A 54 ? 0.3247 0.4140 0.1697 0.0264 -0.0541 -0.0058 85 TYR A N 372 C CA . TYR A 54 ? 0.3139 0.4088 0.1605 0.0331 -0.0642 -0.0054 85 TYR A CA 373 C C . TYR A 54 ? 0.3360 0.4335 0.1785 0.0292 -0.0751 -0.0087 85 TYR A C 374 O O . TYR A 54 ? 0.3220 0.4128 0.1481 0.0329 -0.0831 -0.0071 85 TYR A O 375 C CB . TYR A 54 ? 0.3444 0.4575 0.2172 0.0373 -0.0635 -0.0063 85 TYR A CB 376 C CG . TYR A 54 ? 0.3372 0.4611 0.2200 0.0453 -0.0759 -0.0057 85 TYR A CG 377 C CD1 . TYR A 54 ? 0.4115 0.5312 0.2936 0.0564 -0.0761 -0.0018 85 TYR A CD1 378 C CD2 . TYR A 54 ? 0.3950 0.5327 0.2888 0.0422 -0.0884 -0.0090 85 TYR A CD2 379 C CE1 . TYR A 54 ? 0.3967 0.5253 0.2891 0.0654 -0.0890 0.0003 85 TYR A CE1 380 C CE2 . TYR A 54 ? 0.3812 0.5301 0.2847 0.0506 -0.1027 -0.0075 85 TYR A CE2 381 C CZ . TYR A 54 ? 0.3866 0.5303 0.2891 0.0626 -0.1027 -0.0021 85 TYR A CZ 382 O OH . TYR A 54 ? 0.4577 0.6099 0.3693 0.0723 -0.1172 0.0010 85 TYR A OH 383 N N . ALA A 55 ? 0.3387 0.4452 0.1954 0.0209 -0.0753 -0.0137 86 ALA A N 384 C CA . ALA A 55 ? 0.3318 0.4393 0.1841 0.0151 -0.0848 -0.0192 86 ALA A CA 385 C C . ALA A 55 ? 0.3474 0.4351 0.1723 0.0133 -0.0825 -0.0196 86 ALA A C 386 O O . ALA A 55 ? 0.3509 0.4343 0.1590 0.0134 -0.0910 -0.0220 86 ALA A O 387 C CB . ALA A 55 ? 0.2979 0.4158 0.1719 0.0052 -0.0832 -0.0250 86 ALA A CB 388 N N . ALA A 56 ? 0.3164 0.3927 0.1364 0.0116 -0.0714 -0.0177 87 ALA A N 389 C CA . ALA A 56 ? 0.3549 0.4150 0.1534 0.0110 -0.0685 -0.0183 87 ALA A CA 390 C C . ALA A 56 ? 0.3833 0.4369 0.1627 0.0175 -0.0714 -0.0142 87 ALA A C 391 O O . ALA A 56 ? 0.3810 0.4269 0.1414 0.0163 -0.0746 -0.0167 87 ALA A O 392 C CB . ALA A 56 ? 0.3575 0.4080 0.1559 0.0096 -0.0581 -0.0160 87 ALA A CB 393 N N . ARG A 57 ? 0.3671 0.4220 0.1499 0.0236 -0.0694 -0.0082 88 ARG A N 394 C CA . ARG A 57 ? 0.3885 0.4351 0.1546 0.0298 -0.0721 -0.0032 88 ARG A CA 395 C C . ARG A 57 ? 0.4029 0.4524 0.1598 0.0315 -0.0840 -0.0035 88 ARG A C 396 O O . ARG A 57 ? 0.4101 0.4479 0.1436 0.0320 -0.0858 -0.0014 88 ARG A O 397 C CB . ARG A 57 ? 0.3877 0.4353 0.1623 0.0364 -0.0689 0.0017 88 ARG A CB 398 C CG . ARG A 57 ? 0.4216 0.4581 0.1820 0.0434 -0.0713 0.0079 88 ARG A CG 399 C CD . ARG A 57 ? 0.4417 0.4804 0.2157 0.0501 -0.0678 0.0103 88 ARG A CD 400 N NE . ARG A 57 ? 0.4467 0.4890 0.2298 0.0451 -0.0588 0.0068 88 ARG A NE 401 C CZ . ARG A 57 ? 0.4609 0.5132 0.2610 0.0459 -0.0545 0.0049 88 ARG A CZ 402 N NH1 . ARG A 57 ? 0.4663 0.5285 0.2817 0.0527 -0.0571 0.0051 88 ARG A NH1 403 N NH2 . ARG A 57 ? 0.4378 0.4895 0.2389 0.0401 -0.0468 0.0031 88 ARG A NH2 404 N N . GLN A 58 ? 0.4173 0.4828 0.1922 0.0322 -0.0928 -0.0058 89 GLN A N 405 C CA . GLN A 58 ? 0.4200 0.4909 0.1878 0.0341 -0.1077 -0.0061 89 GLN A CA 406 C C . GLN A 58 ? 0.4381 0.5015 0.1847 0.0267 -0.1106 -0.0122 89 GLN A C 407 O O . GLN A 58 ? 0.4596 0.5158 0.1814 0.0281 -0.1192 -0.0105 89 GLN A O 408 C CB . GLN A 58 ? 0.4325 0.5259 0.2308 0.0348 -0.1158 -0.0091 89 GLN A CB 409 C CG . GLN A 58 ? 0.5076 0.6112 0.3042 0.0383 -0.1353 -0.0088 89 GLN A CG 410 C CD . GLN A 58 ? 0.5712 0.7014 0.4056 0.0395 -0.1434 -0.0120 89 GLN A CD 411 O OE1 . GLN A 58 ? 0.6064 0.7465 0.4671 0.0387 -0.1329 -0.0133 89 GLN A OE1 412 N NE2 . GLN A 58 ? 0.5913 0.7335 0.4281 0.0409 -0.1620 -0.0134 89 GLN A NE2 413 N N . HIS A 59 ? 0.4278 0.4921 0.1828 0.0187 -0.1039 -0.0197 90 HIS A N 414 C CA . HIS A 59 ? 0.4499 0.5044 0.1858 0.0115 -0.1034 -0.0276 90 HIS A CA 415 C C . HIS A 59 ? 0.4515 0.4880 0.1585 0.0130 -0.0956 -0.0245 90 HIS A C 416 O O . HIS A 59 ? 0.4794 0.5077 0.1594 0.0116 -0.1002 -0.0264 90 HIS A O 417 C CB . HIS A 59 ? 0.4488 0.5032 0.2016 0.0045 -0.0943 -0.0343 90 HIS A CB 418 C CG . HIS A 59 ? 0.4343 0.4756 0.1709 -0.0014 -0.0893 -0.0427 90 HIS A CG 419 N ND1 . HIS A 59 ? 0.4113 0.4508 0.1316 -0.0061 -0.0978 -0.0511 90 HIS A ND1 420 C CD2 . HIS A 59 ? 0.4046 0.4345 0.1403 -0.0032 -0.0769 -0.0449 90 HIS A CD2 421 C CE1 . HIS A 59 ? 0.4257 0.4520 0.1346 -0.0105 -0.0891 -0.0589 90 HIS A CE1 422 N NE2 . HIS A 59 ? 0.4207 0.4415 0.1402 -0.0082 -0.0764 -0.0550 90 HIS A NE2 423 N N . ILE A 60 ? 0.4216 0.4519 0.1334 0.0151 -0.0836 -0.0201 91 ILE A N 424 C CA . ILE A 60 ? 0.4303 0.4455 0.1201 0.0156 -0.0746 -0.0173 91 ILE A CA 425 C C . ILE A 60 ? 0.4708 0.4793 0.1357 0.0194 -0.0821 -0.0109 91 ILE A C 426 O O . ILE A 60 ? 0.4774 0.4755 0.1151 0.0162 -0.0808 -0.0130 91 ILE A O 427 C CB . ILE A 60 ? 0.4090 0.4211 0.1113 0.0176 -0.0632 -0.0126 91 ILE A CB 428 C CG1 . ILE A 60 ? 0.3784 0.3924 0.0972 0.0137 -0.0559 -0.0181 91 ILE A CG1 429 C CG2 . ILE A 60 ? 0.4310 0.4302 0.1148 0.0180 -0.0550 -0.0085 91 ILE A CG2 430 C CD1 . ILE A 60 ? 0.3104 0.3280 0.0484 0.0160 -0.0511 -0.0132 91 ILE A CD1 431 N N . MET A 61 ? 0.4692 0.4831 0.1422 0.0262 -0.0901 -0.0032 92 MET A N 432 C CA . MET A 61 ? 0.4834 0.4882 0.1337 0.0315 -0.0977 0.0055 92 MET A CA 433 C C . MET A 61 ? 0.5180 0.5231 0.1467 0.0298 -0.1112 0.0033 92 MET A C 434 O O . MET A 61 ? 0.5436 0.5338 0.1388 0.0295 -0.1124 0.0080 92 MET A O 435 C CB . MET A 61 ? 0.4783 0.4887 0.1467 0.0405 -0.1032 0.0133 92 MET A CB 436 C CG . MET A 61 ? 0.4924 0.4953 0.1699 0.0419 -0.0894 0.0166 92 MET A CG 437 S SD . MET A 61 ? 0.6005 0.6119 0.3045 0.0516 -0.0928 0.0213 92 MET A SD 438 C CE . MET A 61 ? 0.6295 0.6295 0.3164 0.0611 -0.1045 0.0322 92 MET A CE 439 N N . GLN A 62 ? 0.5047 0.5264 0.1518 0.0278 -0.1213 -0.0039 93 GLN A N 440 C CA . GLN A 62 ? 0.5486 0.5740 0.1803 0.0243 -0.1352 -0.0093 93 GLN A CA 441 C C . GLN A 62 ? 0.5642 0.5748 0.1636 0.0162 -0.1280 -0.0167 93 GLN A C 442 O O . GLN A 62 ? 0.6032 0.6057 0.1697 0.0152 -0.1369 -0.0157 93 GLN A O 443 C CB . GLN A 62 ? 0.5320 0.5784 0.1963 0.0213 -0.1432 -0.0176 93 GLN A CB 444 C CG . GLN A 62 ? 0.6020 0.6638 0.2825 0.0292 -0.1603 -0.0114 93 GLN A CG 445 C CD . GLN A 62 ? 0.6365 0.7217 0.3595 0.0278 -0.1635 -0.0169 93 GLN A CD 446 O OE1 . GLN A 62 ? 0.6193 0.7099 0.3544 0.0185 -0.1593 -0.0272 93 GLN A OE1 447 N NE2 . GLN A 62 ? 0.6269 0.7256 0.3738 0.0370 -0.1704 -0.0102 93 GLN A NE2 448 N N . ARG A 63 ? 0.5349 0.5420 0.1433 0.0109 -0.1121 -0.0241 94 ARG A N 449 C CA . ARG A 63 ? 0.5515 0.5460 0.1348 0.0037 -0.1031 -0.0334 94 ARG A CA 450 C C . ARG A 63 ? 0.5737 0.5514 0.1268 0.0051 -0.0933 -0.0256 94 ARG A C 451 O O . ARG A 63 ? 0.5772 0.5425 0.0938 0.0009 -0.0918 -0.0289 94 ARG A O 452 C CB . ARG A 63 ? 0.5439 0.5390 0.1486 -0.0010 -0.0891 -0.0431 94 ARG A CB 453 C CG . ARG A 63 ? 0.5367 0.5450 0.1699 -0.0046 -0.0962 -0.0514 94 ARG A CG 454 C CD . ARG A 63 ? 0.5284 0.5360 0.1468 -0.0119 -0.1056 -0.0639 94 ARG A CD 455 N NE . ARG A 63 ? 0.5527 0.5446 0.1493 -0.0168 -0.0929 -0.0741 94 ARG A NE 456 C CZ . ARG A 63 ? 0.5562 0.5402 0.1220 -0.0225 -0.0978 -0.0840 94 ARG A CZ 457 N NH1 . ARG A 63 ? 0.5496 0.5408 0.1032 -0.0237 -0.1171 -0.0840 94 ARG A NH1 458 N NH2 . ARG A 63 ? 0.5697 0.5393 0.1170 -0.0265 -0.0836 -0.0941 94 ARG A NH2 459 N N . ILE A 64 ? 0.5339 0.5098 0.0996 0.0104 -0.0864 -0.0154 95 ILE A N 460 C CA . ILE A 64 ? 0.5740 0.5336 0.1118 0.0115 -0.0795 -0.0059 95 ILE A CA 461 C C . ILE A 64 ? 0.6044 0.5554 0.1099 0.0148 -0.0937 0.0034 95 ILE A C 462 O O . ILE A 64 ? 0.6686 0.6034 0.1371 0.0110 -0.0877 0.0055 95 ILE A O 463 C CB . ILE A 64 ? 0.5493 0.5069 0.1058 0.0146 -0.0688 0.0010 95 ILE A CB 464 C CG1 . ILE A 64 ? 0.5422 0.5012 0.1132 0.0094 -0.0523 -0.0079 95 ILE A CG1 465 C CG2 . ILE A 64 ? 0.5393 0.4800 0.0718 0.0167 -0.0648 0.0136 95 ILE A CG2 466 C CD1 . ILE A 64 ? 0.5071 0.4738 0.1108 0.0127 -0.0484 -0.0049 95 ILE A CD1 467 N N . GLN A 65 ? 0.5966 0.5580 0.1153 0.0217 -0.1117 0.0090 96 GLN A N 468 C CA . GLN A 65 ? 0.6497 0.6031 0.1404 0.0268 -0.1277 0.0199 96 GLN A CA 469 C C . GLN A 65 ? 0.6724 0.6208 0.1266 0.0207 -0.1362 0.0137 96 GLN A C 470 O O . GLN A 65 ? 0.7232 0.6611 0.1441 0.0236 -0.1490 0.0230 96 GLN A O 471 C CB . GLN A 65 ? 0.6452 0.6157 0.1628 0.0356 -0.1475 0.0241 96 GLN A CB 472 C CG . GLN A 65 ? 0.7020 0.6681 0.2332 0.0461 -0.1485 0.0376 96 GLN A CG 473 C CD . GLN A 65 ? 0.7429 0.7290 0.3229 0.0504 -0.1470 0.0336 96 GLN A CD 474 O OE1 . GLN A 65 ? 0.7731 0.7801 0.3774 0.0493 -0.1560 0.0253 96 GLN A OE1 475 N NE2 . GLN A 65 ? 0.6903 0.6694 0.2834 0.0541 -0.1349 0.0388 96 GLN A NE2 476 N N . ARG A 66 ? 0.6541 0.6097 0.1134 0.0127 -0.1315 -0.0021 97 ARG A N 477 C CA . ARG A 66 ? 0.7096 0.6652 0.1402 0.0074 -0.1457 -0.0102 97 ARG A CA 478 C C . ARG A 66 ? 0.7151 0.6489 0.0974 0.0004 -0.1327 -0.0127 97 ARG A C 479 O O . ARG A 66 ? 0.7647 0.6950 0.1192 -0.0055 -0.1391 -0.0217 97 ARG A O 480 C CB . ARG A 66 ? 0.6996 0.6726 0.1591 0.0017 -0.1498 -0.0269 97 ARG A CB 481 C CG . ARG A 66 ? 0.7332 0.6985 0.1834 -0.0081 -0.1335 -0.0432 97 ARG A CG 482 C CD . ARG A 66 ? 0.8254 0.8041 0.2921 -0.0143 -0.1456 -0.0587 97 ARG A CD 483 N NE . ARG A 66 ? 0.9355 0.9060 0.3945 -0.0236 -0.1330 -0.0765 97 ARG A NE 484 C CZ . ARG A 66 ? 0.9755 0.9297 0.4155 -0.0266 -0.1114 -0.0818 97 ARG A CZ 485 N NH1 . ARG A 66 ? 0.9758 0.9193 0.4004 -0.0228 -0.0980 -0.0706 97 ARG A NH1 486 N NH2 . ARG A 66 ? 0.9962 0.9446 0.4348 -0.0340 -0.1025 -0.0995 97 ARG A NH2 487 N N . LEU A 67 ? 0.7113 0.6319 0.0881 0.0005 -0.1123 -0.0062 98 LEU A N 488 C CA . LEU A 67 ? 0.7142 0.6174 0.0578 -0.0071 -0.0920 -0.0107 98 LEU A CA 489 C C . LEU A 67 ? 0.7481 0.6324 0.0545 -0.0047 -0.0927 0.0065 98 LEU A C 490 O O . LEU A 67 ? 0.7206 0.6050 0.0446 0.0032 -0.0977 0.0208 98 LEU A O 491 C CB . LEU A 67 ? 0.6842 0.5891 0.0582 -0.0083 -0.0685 -0.0137 98 LEU A CB 492 C CG . LEU A 67 ? 0.6536 0.5738 0.0679 -0.0098 -0.0634 -0.0281 98 LEU A CG 493 C CD1 . LEU A 67 ? 0.5942 0.5133 0.0313 -0.0101 -0.0418 -0.0272 98 LEU A CD1 494 C CD2 . LEU A 67 ? 0.7143 0.6313 0.1082 -0.0175 -0.0613 -0.0456 98 LEU A CD2 495 N N . GLN A 68 ? 0.7768 0.6431 0.0321 -0.0117 -0.0856 0.0047 99 GLN A N 496 C CA . GLN A 68 ? 0.8198 0.6634 0.0316 -0.0114 -0.0834 0.0216 99 GLN A CA 497 C C . GLN A 68 ? 0.8089 0.6410 0.0296 -0.0120 -0.0605 0.0318 99 GLN A C 498 O O . GLN A 68 ? 0.8241 0.6430 0.0334 -0.0072 -0.0652 0.0498 99 GLN A O 499 C CB . GLN A 68 ? 0.8826 0.7088 0.0308 -0.0196 -0.0829 0.0173 99 GLN A CB 500 C CG . GLN A 68 ? 0.8859 0.7209 0.0308 -0.0271 -0.0808 -0.0064 99 GLN A CG 501 C CD . GLN A 68 ? 0.9609 0.7763 0.0371 -0.0356 -0.0805 -0.0110 99 GLN A CD 502 O OE1 . GLN A 68 ? 1.0183 0.8311 0.0634 -0.0342 -0.1057 -0.0066 99 GLN A OE1 503 N NE2 . GLN A 68 ? 0.9745 0.7775 0.0284 -0.0442 -0.0521 -0.0207 99 GLN A NE2 504 N N . ALA A 69 ? 0.7862 0.6223 0.0270 -0.0179 -0.0361 0.0210 100 ALA A N 505 C CA . ALA A 69 ? 0.7695 0.6007 0.0318 -0.0176 -0.0189 0.0302 100 ALA A CA 506 C C . ALA A 69 ? 0.7432 0.5788 0.0333 -0.0074 -0.0357 0.0439 100 ALA A C 507 O O . ALA A 69 ? 0.7187 0.5698 0.0318 -0.0003 -0.0554 0.0417 100 ALA A O 508 C CB . ALA A 69 ? 0.7495 0.5943 0.0514 -0.0213 0.0010 0.0167 100 ALA A CB 509 N N . ASP A 70 ? 0.7663 0.5859 0.0506 -0.0073 -0.0267 0.0580 101 ASP A N 510 C CA . ASP A 70 ? 0.7789 0.5934 0.0738 0.0020 -0.0410 0.0729 101 ASP A CA 511 C C . ASP A 70 ? 0.7295 0.5579 0.0761 0.0044 -0.0339 0.0689 101 ASP A C 512 O O . ASP A 70 ? 0.7533 0.5699 0.1068 0.0034 -0.0232 0.0773 101 ASP A O 513 C CB . ASP A 70 ? 0.8293 0.6148 0.0875 -0.0006 -0.0331 0.0901 101 ASP A CB 514 C CG . ASP A 70 ? 0.8677 0.6430 0.1287 0.0104 -0.0509 0.1068 101 ASP A CG 515 O OD1 . ASP A 70 ? 0.8826 0.6751 0.1703 0.0204 -0.0709 0.1044 101 ASP A OD1 516 O OD2 . ASP A 70 ? 0.9501 0.6994 0.1877 0.0090 -0.0439 0.1222 101 ASP A OD2 517 N N . TRP A 71 ? 0.6751 0.5268 0.0555 0.0063 -0.0387 0.0555 102 TRP A N 518 C CA . TRP A 71 ? 0.6204 0.4859 0.0481 0.0093 -0.0347 0.0519 102 TRP A CA 519 C C . TRP A 71 ? 0.6309 0.4940 0.0723 0.0190 -0.0482 0.0629 102 TRP A C 520 O O . TRP A 71 ? 0.6152 0.4819 0.0512 0.0264 -0.0673 0.0668 102 TRP A O 521 C CB . TRP A 71 ? 0.5750 0.4638 0.0319 0.0099 -0.0395 0.0374 102 TRP A CB 522 C CG . TRP A 71 ? 0.5810 0.4735 0.0351 0.0016 -0.0243 0.0245 102 TRP A CG 523 C CD1 . TRP A 71 ? 0.6233 0.5143 0.0512 -0.0027 -0.0253 0.0162 102 TRP A CD1 524 C CD2 . TRP A 71 ? 0.5832 0.4800 0.0597 -0.0033 -0.0053 0.0181 102 TRP A CD2 525 N NE1 . TRP A 71 ? 0.6088 0.5029 0.0441 -0.0090 -0.0074 0.0044 102 TRP A NE1 526 C CE2 . TRP A 71 ? 0.5970 0.4959 0.0636 -0.0091 0.0045 0.0058 102 TRP A CE2 527 C CE3 . TRP A 71 ? 0.6185 0.5184 0.1238 -0.0033 0.0033 0.0208 102 TRP A CE3 528 C CZ2 . TRP A 71 ? 0.5488 0.4540 0.0369 -0.0135 0.0227 -0.0033 102 TRP A CZ2 529 C CZ3 . TRP A 71 ? 0.6077 0.5148 0.1329 -0.0086 0.0198 0.0120 102 TRP A CZ3 530 C CH2 . TRP A 71 ? 0.5373 0.4469 0.0539 -0.0132 0.0296 0.0007 102 TRP A CH2 531 N N . VAL A 72 ? 0.6386 0.4984 0.1029 0.0192 -0.0385 0.0657 103 VAL A N 532 C CA . VAL A 72 ? 0.6358 0.4912 0.1159 0.0281 -0.0474 0.0744 103 VAL A CA 533 C C . VAL A 72 ? 0.5959 0.4721 0.1185 0.0302 -0.0468 0.0642 103 VAL A C 534 O O . VAL A 72 ? 0.5650 0.4467 0.1051 0.0238 -0.0331 0.0571 103 VAL A O 535 C CB . VAL A 72 ? 0.6677 0.4959 0.1312 0.0259 -0.0376 0.0872 103 VAL A CB 536 C CG1 . VAL A 72 ? 0.6870 0.5088 0.1697 0.0354 -0.0450 0.0943 103 VAL A CG1 537 C CG2 . VAL A 72 ? 0.7077 0.5124 0.1214 0.0236 -0.0390 0.0996 103 VAL A CG2 538 N N . LEU A 73 ? 0.5873 0.4767 0.1265 0.0390 -0.0619 0.0633 104 LEU A N 539 C CA . LEU A 73 ? 0.5547 0.4643 0.1307 0.0407 -0.0617 0.0539 104 LEU A CA 540 C C . LEU A 73 ? 0.5521 0.4579 0.1468 0.0472 -0.0620 0.0579 104 LEU A C 541 O O . LEU A 73 ? 0.5772 0.4721 0.1649 0.0549 -0.0701 0.0670 104 LEU A O 542 C CB . LEU A 73 ? 0.5570 0.4863 0.1448 0.0447 -0.0754 0.0483 104 LEU A CB 543 C CG . LEU A 73 ? 0.5717 0.5095 0.1502 0.0372 -0.0744 0.0389 104 LEU A CG 544 C CD1 . LEU A 73 ? 0.5081 0.4577 0.0848 0.0404 -0.0912 0.0367 104 LEU A CD1 545 C CD2 . LEU A 73 ? 0.5348 0.4852 0.1402 0.0326 -0.0641 0.0288 104 LEU A CD2 546 N N . GLU A 74 ? 0.5362 0.4513 0.1553 0.0448 -0.0544 0.0505 105 GLU A N 547 C CA . GLU A 74 ? 0.5377 0.4478 0.1726 0.0497 -0.0528 0.0522 105 GLU A CA 548 C C . GLU A 74 ? 0.5219 0.4508 0.1827 0.0484 -0.0502 0.0423 105 GLU A C 549 O O . GLU A 74 ? 0.5106 0.4483 0.1754 0.0411 -0.0444 0.0358 105 GLU A O 550 C CB . GLU A 74 ? 0.5638 0.4533 0.1888 0.0440 -0.0413 0.0561 105 GLU A CB 551 C CG . GLU A 74 ? 0.6050 0.4957 0.2524 0.0429 -0.0346 0.0501 105 GLU A CG 552 C CD . GLU A 74 ? 0.7221 0.5917 0.3634 0.0368 -0.0247 0.0531 105 GLU A CD 553 O OE1 . GLU A 74 ? 0.8274 0.6804 0.4489 0.0323 -0.0199 0.0604 105 GLU A OE1 554 O OE2 . GLU A 74 ? 0.7479 0.6170 0.4038 0.0359 -0.0213 0.0478 105 GLU A OE2 555 N N . ILE A 75 ? 0.5179 0.4517 0.1961 0.0557 -0.0536 0.0414 106 ILE A N 556 C CA . ILE A 75 ? 0.5005 0.4514 0.1999 0.0549 -0.0517 0.0333 106 ILE A CA 557 C C . ILE A 75 ? 0.4977 0.4404 0.2043 0.0552 -0.0446 0.0313 106 ILE A C 558 O O . ILE A 75 ? 0.5335 0.4663 0.2422 0.0621 -0.0455 0.0341 106 ILE A O 559 C CB . ILE A 75 ? 0.4916 0.4593 0.2066 0.0624 -0.0611 0.0321 106 ILE A CB 560 C CG1 . ILE A 75 ? 0.5081 0.4822 0.2132 0.0615 -0.0703 0.0337 106 ILE A CG1 561 C CG2 . ILE A 75 ? 0.4896 0.4739 0.2242 0.0601 -0.0572 0.0246 106 ILE A CG2 562 C CD1 . ILE A 75 ? 0.5265 0.5067 0.2270 0.0520 -0.0662 0.0278 106 ILE A CD1 563 N N . ASP A 76 ? 0.4882 0.4343 0.1987 0.0477 -0.0379 0.0258 107 ASP A N 564 C CA . ASP A 76 ? 0.4748 0.4124 0.1889 0.0464 -0.0323 0.0228 107 ASP A CA 565 C C . ASP A 76 ? 0.4557 0.4078 0.1843 0.0490 -0.0323 0.0170 107 ASP A C 566 O O . ASP A 76 ? 0.4405 0.4030 0.1732 0.0433 -0.0307 0.0130 107 ASP A O 567 C CB . ASP A 76 ? 0.4739 0.4064 0.1832 0.0363 -0.0262 0.0209 107 ASP A CB 568 C CG . ASP A 76 ? 0.5054 0.4349 0.2207 0.0324 -0.0222 0.0150 107 ASP A CG 569 O OD1 . ASP A 76 ? 0.5049 0.4240 0.2205 0.0363 -0.0210 0.0136 107 ASP A OD1 570 O OD2 . ASP A 76 ? 0.4715 0.4085 0.1910 0.0252 -0.0207 0.0113 107 ASP A OD2 571 N N . THR A 77 ? 0.4336 0.3858 0.1702 0.0575 -0.0334 0.0168 108 THR A N 572 C CA . THR A 77 ? 0.4233 0.3895 0.1731 0.0593 -0.0308 0.0110 108 THR A CA 573 C C . THR A 77 ? 0.4006 0.3576 0.1492 0.0587 -0.0236 0.0053 108 THR A C 574 O O . THR A 77 ? 0.4373 0.3775 0.1808 0.0612 -0.0218 0.0058 108 THR A O 575 C CB . THR A 77 ? 0.4287 0.4065 0.1929 0.0686 -0.0354 0.0124 108 THR A CB 576 O OG1 . THR A 77 ? 0.4679 0.4551 0.2312 0.0673 -0.0434 0.0161 108 THR A OG1 577 C CG2 . THR A 77 ? 0.4226 0.4157 0.2015 0.0689 -0.0303 0.0065 108 THR A CG2 578 N N . PHE A 78 ? 0.3941 0.3599 0.1457 0.0555 -0.0192 -0.0002 109 PHE A N 579 C CA . PHE A 78 ? 0.3897 0.3448 0.1351 0.0539 -0.0129 -0.0064 109 PHE A CA 580 C C . PHE A 78 ? 0.3980 0.3647 0.1450 0.0516 -0.0081 -0.0112 109 PHE A C 581 O O . PHE A 78 ? 0.4149 0.3960 0.1674 0.0494 -0.0099 -0.0087 109 PHE A O 582 C CB . PHE A 78 ? 0.4007 0.3434 0.1336 0.0452 -0.0139 -0.0071 109 PHE A CB 583 C CG . PHE A 78 ? 0.3814 0.3351 0.1123 0.0369 -0.0172 -0.0059 109 PHE A CG 584 C CD1 . PHE A 78 ? 0.3405 0.2990 0.0736 0.0351 -0.0212 -0.0005 109 PHE A CD1 585 C CD2 . PHE A 78 ? 0.3301 0.2873 0.0557 0.0315 -0.0162 -0.0102 109 PHE A CD2 586 C CE1 . PHE A 78 ? 0.3328 0.3005 0.0670 0.0289 -0.0235 0.0000 109 PHE A CE1 587 C CE2 . PHE A 78 ? 0.3195 0.2856 0.0450 0.0255 -0.0203 -0.0082 109 PHE A CE2 588 C CZ . PHE A 78 ? 0.3149 0.2864 0.0468 0.0246 -0.0236 -0.0034 109 PHE A CZ 589 N N . LEU A 79 ? 0.3942 0.3534 0.1352 0.0518 -0.0012 -0.0181 110 LEU A N 590 C CA . LEU A 79 ? 0.4180 0.3851 0.1545 0.0482 0.0049 -0.0224 110 LEU A CA 591 C C . LEU A 79 ? 0.4297 0.3891 0.1482 0.0392 0.0027 -0.0247 110 LEU A C 592 O O . LEU A 79 ? 0.4220 0.3669 0.1326 0.0370 0.0011 -0.0280 110 LEU A O 593 C CB . LEU A 79 ? 0.4407 0.4037 0.1793 0.0543 0.0152 -0.0302 110 LEU A CB 594 C CG . LEU A 79 ? 0.4765 0.4519 0.2387 0.0645 0.0177 -0.0287 110 LEU A CG 595 C CD1 . LEU A 79 ? 0.5092 0.4792 0.2775 0.0725 0.0292 -0.0375 110 LEU A CD1 596 C CD2 . LEU A 79 ? 0.4409 0.4376 0.2130 0.0611 0.0182 -0.0251 110 LEU A CD2 597 N N . SER A 80 ? 0.4287 0.3972 0.1414 0.0335 0.0019 -0.0226 111 SER A N 598 C CA . SER A 80 ? 0.4510 0.4124 0.1451 0.0257 -0.0010 -0.0254 111 SER A CA 599 C C . SER A 80 ? 0.4550 0.4197 0.1352 0.0224 0.0047 -0.0270 111 SER A C 600 O O . SER A 80 ? 0.4489 0.4245 0.1365 0.0235 0.0087 -0.0228 111 SER A O 601 C CB . SER A 80 ? 0.4364 0.4009 0.1332 0.0209 -0.0112 -0.0197 111 SER A CB 602 O OG . SER A 80 ? 0.5278 0.4871 0.2104 0.0141 -0.0163 -0.0224 111 SER A OG 603 N N . GLN A 81 ? 0.4826 0.4373 0.1415 0.0174 0.0049 -0.0329 112 GLN A N 604 C CA . GLN A 81 ? 0.5095 0.4651 0.1486 0.0130 0.0095 -0.0329 112 GLN A CA 605 C C . GLN A 81 ? 0.5231 0.4873 0.1633 0.0090 0.0011 -0.0220 112 GLN A C 606 O O . GLN A 81 ? 0.5546 0.5194 0.1991 0.0068 -0.0108 -0.0182 112 GLN A O 607 C CB . GLN A 81 ? 0.5375 0.4796 0.1507 0.0073 0.0072 -0.0409 112 GLN A CB 608 C CG . GLN A 81 ? 0.5958 0.5354 0.1809 0.0016 0.0097 -0.0406 112 GLN A CG 609 C CD . GLN A 81 ? 0.6928 0.6312 0.2709 0.0041 0.0271 -0.0465 112 GLN A CD 610 O OE1 . GLN A 81 ? 0.7978 0.7247 0.3523 0.0015 0.0337 -0.0566 112 GLN A OE1 611 N NE2 . GLN A 81 ? 0.6615 0.6122 0.2602 0.0085 0.0356 -0.0413 112 GLN A NE2 612 N N . THR A 82 ? 0.5013 0.4721 0.1406 0.0083 0.0077 -0.0169 113 THR A N 613 C CA . THR A 82 ? 0.4536 0.4281 0.0911 0.0044 0.0005 -0.0067 113 THR A CA 614 C C . THR A 82 ? 0.4874 0.4564 0.0984 -0.0008 0.0068 -0.0046 113 THR A C 615 O O . THR A 82 ? 0.4937 0.4577 0.0895 -0.0013 0.0179 -0.0122 113 THR A O 616 C CB . THR A 82 ? 0.4419 0.4278 0.1051 0.0072 0.0019 -0.0008 113 THR A CB 617 O OG1 . THR A 82 ? 0.4146 0.4061 0.0812 0.0072 0.0152 -0.0012 113 THR A OG1 618 C CG2 . THR A 82 ? 0.3765 0.3668 0.0614 0.0127 -0.0016 -0.0037 113 THR A CG2 619 N N . PRO A 83 ? 0.4860 0.4540 0.0892 -0.0046 0.0002 0.0058 114 PRO A N 620 C CA . PRO A 83 ? 0.5039 0.4647 0.0793 -0.0100 0.0064 0.0104 114 PRO A CA 621 C C . PRO A 83 ? 0.5088 0.4757 0.0921 -0.0104 0.0255 0.0095 114 PRO A C 622 O O . PRO A 83 ? 0.5167 0.4773 0.0750 -0.0151 0.0368 0.0096 114 PRO A O 623 C CB . PRO A 83 ? 0.4913 0.4498 0.0653 -0.0121 -0.0059 0.0233 114 PRO A CB 624 C CG . PRO A 83 ? 0.4557 0.4185 0.0486 -0.0085 -0.0204 0.0223 114 PRO A CG 625 C CD . PRO A 83 ? 0.4786 0.4507 0.0985 -0.0037 -0.0120 0.0142 114 PRO A CD 626 N N . TYR A 84 ? 0.4708 0.4501 0.0877 -0.0055 0.0291 0.0072 115 TYR A N 627 C CA . TYR A 84 ? 0.4940 0.4838 0.1280 -0.0047 0.0456 0.0042 115 TYR A CA 628 C C . TYR A 84 ? 0.4959 0.4911 0.1438 0.0022 0.0530 -0.0075 115 TYR A C 629 O O . TYR A 84 ? 0.4833 0.4920 0.1592 0.0061 0.0604 -0.0099 115 TYR A O 630 C CB . TYR A 84 ? 0.4865 0.4875 0.1499 -0.0046 0.0430 0.0107 115 TYR A CB 631 C CG . TYR A 84 ? 0.5010 0.4943 0.1523 -0.0111 0.0385 0.0223 115 TYR A CG 632 C CD1 . TYR A 84 ? 0.5816 0.5666 0.2076 -0.0179 0.0486 0.0273 115 TYR A CD1 633 C CD2 . TYR A 84 ? 0.4648 0.4567 0.1266 -0.0101 0.0245 0.0283 115 TYR A CD2 634 C CE1 . TYR A 84 ? 0.6236 0.5979 0.2354 -0.0234 0.0439 0.0398 115 TYR A CE1 635 C CE2 . TYR A 84 ? 0.5071 0.4895 0.1582 -0.0147 0.0199 0.0393 115 TYR A CE2 636 C CZ . TYR A 84 ? 0.6275 0.6005 0.2534 -0.0212 0.0290 0.0457 115 TYR A CZ 637 O OH . TYR A 84 ? 0.6466 0.6072 0.2601 -0.0255 0.0245 0.0583 115 TYR A OH 638 N N . GLY A 85 ? 0.5126 0.4970 0.1430 0.0039 0.0495 -0.0149 116 GLY A N 639 C CA . GLY A 85 ? 0.4959 0.4799 0.1358 0.0108 0.0561 -0.0263 116 GLY A CA 640 C C . GLY A 85 ? 0.4878 0.4764 0.1537 0.0174 0.0453 -0.0258 116 GLY A C 641 O O . GLY A 85 ? 0.4507 0.4428 0.1254 0.0162 0.0332 -0.0180 116 GLY A O 642 N N . TYR A 86 ? 0.4871 0.4744 0.1647 0.0248 0.0502 -0.0340 117 TYR A N 643 C CA . TYR A 86 ? 0.4565 0.4442 0.1531 0.0309 0.0404 -0.0329 117 TYR A CA 644 C C . TYR A 86 ? 0.4341 0.4378 0.1560 0.0331 0.0369 -0.0258 117 TYR A C 645 O O . TYR A 86 ? 0.4469 0.4627 0.1811 0.0334 0.0460 -0.0258 117 TYR A O 646 C CB . TYR A 86 ? 0.4652 0.4466 0.1698 0.0393 0.0474 -0.0421 117 TYR A CB 647 C CG . TYR A 86 ? 0.4973 0.4596 0.1779 0.0364 0.0467 -0.0497 117 TYR A CG 648 C CD1 . TYR A 86 ? 0.5142 0.4689 0.1709 0.0323 0.0577 -0.0579 117 TYR A CD1 649 C CD2 . TYR A 86 ? 0.4415 0.3927 0.1205 0.0359 0.0354 -0.0490 117 TYR A CD2 650 C CE1 . TYR A 86 ? 0.5556 0.4927 0.1890 0.0285 0.0558 -0.0660 117 TYR A CE1 651 C CE2 . TYR A 86 ? 0.5228 0.4572 0.1812 0.0314 0.0338 -0.0566 117 TYR A CE2 652 C CZ . TYR A 86 ? 0.5518 0.4791 0.1870 0.0276 0.0432 -0.0656 117 TYR A CZ 653 O OH . TYR A 86 ? 0.6596 0.5698 0.2718 0.0221 0.0414 -0.0750 117 TYR A OH 654 N N . ARG A 87 ? 0.3992 0.4032 0.1292 0.0341 0.0245 -0.0208 118 ARG A N 655 C CA . ARG A 87 ? 0.3840 0.4017 0.1351 0.0355 0.0200 -0.0153 118 ARG A CA 656 C C . ARG A 87 ? 0.3811 0.3947 0.1383 0.0398 0.0100 -0.0136 118 ARG A C 657 O O . ARG A 87 ? 0.3931 0.3933 0.1381 0.0398 0.0070 -0.0154 118 ARG A O 658 C CB . ARG A 87 ? 0.3890 0.4099 0.1350 0.0276 0.0158 -0.0086 118 ARG A CB 659 C CG . ARG A 87 ? 0.4182 0.4413 0.1547 0.0212 0.0257 -0.0070 118 ARG A CG 660 C CD . ARG A 87 ? 0.3860 0.4100 0.1214 0.0145 0.0199 0.0013 118 ARG A CD 661 N NE . ARG A 87 ? 0.4193 0.4554 0.1798 0.0160 0.0161 0.0028 118 ARG A NE 662 C CZ . ARG A 87 ? 0.3793 0.4285 0.1585 0.0150 0.0234 0.0019 118 ARG A CZ 663 N NH1 . ARG A 87 ? 0.3284 0.3804 0.1043 0.0126 0.0372 0.0000 118 ARG A NH1 664 N NH2 . ARG A 87 ? 0.2991 0.3586 0.0992 0.0157 0.0173 0.0023 118 ARG A NH2 665 N N . SER A 88 ? 0.3648 0.3892 0.1395 0.0425 0.0048 -0.0101 119 SER A N 666 C CA . SER A 88 ? 0.3804 0.4005 0.1590 0.0474 -0.0035 -0.0081 119 SER A CA 667 C C . SER A 88 ? 0.3747 0.3940 0.1485 0.0423 -0.0120 -0.0034 119 SER A C 668 O O . SER A 88 ? 0.3710 0.3988 0.1493 0.0377 -0.0130 -0.0014 119 SER A O 669 C CB . SER A 88 ? 0.3891 0.4215 0.1889 0.0548 -0.0050 -0.0079 119 SER A CB 670 O OG . SER A 88 ? 0.3886 0.4170 0.1879 0.0578 -0.0150 -0.0038 119 SER A OG 671 N N . PHE A 89 ? 0.3728 0.3809 0.1381 0.0427 -0.0169 -0.0019 120 PHE A N 672 C CA . PHE A 89 ? 0.3658 0.3732 0.1271 0.0379 -0.0227 0.0013 120 PHE A CA 673 C C . PHE A 89 ? 0.3752 0.3787 0.1366 0.0419 -0.0275 0.0039 120 PHE A C 674 O O . PHE A 89 ? 0.4170 0.4141 0.1786 0.0477 -0.0269 0.0039 120 PHE A O 675 C CB . PHE A 89 ? 0.3437 0.3425 0.0939 0.0324 -0.0226 0.0007 120 PHE A CB 676 C CG . PHE A 89 ? 0.3319 0.3328 0.0772 0.0283 -0.0199 -0.0004 120 PHE A CG 677 C CD1 . PHE A 89 ? 0.2862 0.2908 0.0317 0.0236 -0.0230 0.0025 120 PHE A CD1 678 C CD2 . PHE A 89 ? 0.3035 0.3008 0.0424 0.0292 -0.0142 -0.0042 120 PHE A CD2 679 C CE1 . PHE A 89 ? 0.2936 0.2973 0.0306 0.0199 -0.0216 0.0033 120 PHE A CE1 680 C CE2 . PHE A 89 ? 0.3111 0.3080 0.0398 0.0249 -0.0117 -0.0047 120 PHE A CE2 681 C CZ . PHE A 89 ? 0.3303 0.3304 0.0574 0.0202 -0.0159 0.0000 120 PHE A CZ 682 N N . SER A 90 ? 0.3649 0.3697 0.1241 0.0391 -0.0318 0.0060 121 SER A N 683 C CA . SER A 90 ? 0.3726 0.3721 0.1269 0.0427 -0.0362 0.0092 121 SER A CA 684 C C . SER A 90 ? 0.3700 0.3667 0.1165 0.0369 -0.0368 0.0098 121 SER A C 685 O O . SER A 90 ? 0.3517 0.3567 0.1021 0.0344 -0.0387 0.0084 121 SER A O 686 C CB . SER A 90 ? 0.3857 0.3966 0.1492 0.0469 -0.0420 0.0099 121 SER A CB 687 O OG . SER A 90 ? 0.4252 0.4419 0.2010 0.0535 -0.0413 0.0090 121 SER A OG 688 N N . ASN A 91 ? 0.3677 0.3529 0.1049 0.0343 -0.0339 0.0110 122 ASN A N 689 C CA . ASN A 91 ? 0.3494 0.3334 0.0819 0.0291 -0.0323 0.0107 122 ASN A CA 690 C C . ASN A 91 ? 0.3537 0.3331 0.0748 0.0315 -0.0354 0.0141 122 ASN A C 691 O O . ASN A 91 ? 0.3814 0.3555 0.0986 0.0369 -0.0387 0.0177 122 ASN A O 692 C CB . ASN A 91 ? 0.3690 0.3441 0.0982 0.0245 -0.0273 0.0107 122 ASN A CB 693 C CG . ASN A 91 ? 0.3786 0.3572 0.1159 0.0219 -0.0265 0.0075 122 ASN A CG 694 O OD1 . ASN A 91 ? 0.3337 0.3213 0.0782 0.0204 -0.0279 0.0058 122 ASN A OD1 695 N ND2 . ASN A 91 ? 0.4163 0.3860 0.1511 0.0206 -0.0247 0.0068 122 ASN A ND2 696 N N . ILE A 92 ? 0.3449 0.3256 0.0600 0.0279 -0.0347 0.0128 123 ILE A N 697 C CA . ILE A 92 ? 0.3576 0.3331 0.0565 0.0299 -0.0390 0.0160 123 ILE A CA 698 C C . ILE A 92 ? 0.3853 0.3507 0.0706 0.0247 -0.0315 0.0168 123 ILE A C 699 O O . ILE A 92 ? 0.4077 0.3780 0.0992 0.0198 -0.0256 0.0117 123 ILE A O 700 C CB . ILE A 92 ? 0.3451 0.3307 0.0452 0.0289 -0.0440 0.0116 123 ILE A CB 701 C CG1 . ILE A 92 ? 0.3313 0.3297 0.0488 0.0318 -0.0496 0.0096 123 ILE A CG1 702 C CG2 . ILE A 92 ? 0.3544 0.3347 0.0325 0.0299 -0.0508 0.0141 123 ILE A CG2 703 C CD1 . ILE A 92 ? 0.3383 0.3463 0.0619 0.0278 -0.0521 0.0033 123 ILE A CD1 704 N N . ILE A 93 ? 0.4337 0.3851 0.1019 0.0258 -0.0310 0.0234 124 ILE A N 705 C CA . ILE A 93 ? 0.4362 0.3760 0.0889 0.0197 -0.0217 0.0253 124 ILE A CA 706 C C . ILE A 93 ? 0.4761 0.4072 0.1024 0.0204 -0.0250 0.0298 124 ILE A C 707 O O . ILE A 93 ? 0.4922 0.4156 0.1081 0.0263 -0.0334 0.0370 124 ILE A O 708 C CB . ILE A 93 ? 0.4471 0.3730 0.0993 0.0177 -0.0153 0.0303 124 ILE A CB 709 C CG1 . ILE A 93 ? 0.4246 0.3577 0.0993 0.0164 -0.0136 0.0255 124 ILE A CG1 710 C CG2 . ILE A 93 ? 0.4205 0.3366 0.0602 0.0095 -0.0034 0.0317 124 ILE A CG2 711 C CD1 . ILE A 93 ? 0.4683 0.4019 0.1512 0.0235 -0.0208 0.0263 124 ILE A CD1 712 N N . SER A 94 ? 0.4928 0.4239 0.1077 0.0146 -0.0181 0.0256 125 SER A N 713 C CA . SER A 94 ? 0.5398 0.4615 0.1238 0.0135 -0.0199 0.0285 125 SER A CA 714 C C . SER A 94 ? 0.5663 0.4750 0.1356 0.0060 -0.0043 0.0308 125 SER A C 715 O O . SER A 94 ? 0.5824 0.4984 0.1647 0.0004 0.0075 0.0231 125 SER A O 716 C CB . SER A 94 ? 0.5233 0.4562 0.1055 0.0121 -0.0235 0.0189 125 SER A CB 717 O OG . SER A 94 ? 0.6023 0.5251 0.1495 0.0105 -0.0270 0.0209 125 SER A OG 718 N N . THR A 95 ? 0.5871 0.4770 0.1326 0.0060 -0.0036 0.0417 126 THR A N 719 C CA . THR A 95 ? 0.6043 0.4805 0.1354 -0.0026 0.0130 0.0450 126 THR A CA 720 C C . THR A 95 ? 0.6386 0.4982 0.1274 -0.0048 0.0140 0.0517 126 THR A C 721 O O . THR A 95 ? 0.6674 0.5171 0.1366 0.0014 0.0004 0.0608 126 THR A O 722 C CB . THR A 95 ? 0.6011 0.4651 0.1415 -0.0037 0.0173 0.0526 126 THR A CB 723 O OG1 . THR A 95 ? 0.5458 0.4249 0.1221 -0.0020 0.0153 0.0458 126 THR A OG1 724 C CG2 . THR A 95 ? 0.6184 0.4703 0.1477 -0.0147 0.0365 0.0550 126 THR A CG2 725 N N . LEU A 96 ? 0.6694 0.5265 0.1437 -0.0133 0.0297 0.0469 127 LEU A N 726 C CA . LEU A 96 ? 0.7209 0.5565 0.1506 -0.0181 0.0361 0.0556 127 LEU A CA 727 C C . LEU A 96 ? 0.7510 0.5691 0.1782 -0.0243 0.0498 0.0658 127 LEU A C 728 O O . LEU A 96 ? 0.7119 0.5385 0.1700 -0.0295 0.0620 0.0605 127 LEU A O 729 C CB . LEU A 96 ? 0.7413 0.5804 0.1531 -0.0251 0.0490 0.0451 127 LEU A CB 730 C CG . LEU A 96 ? 0.7302 0.5833 0.1412 -0.0208 0.0366 0.0339 127 LEU A CG 731 C CD1 . LEU A 96 ? 0.6613 0.5187 0.0642 -0.0279 0.0532 0.0201 127 LEU A CD1 732 C CD2 . LEU A 96 ? 0.7949 0.6367 0.1700 -0.0159 0.0177 0.0424 127 LEU A CD2 733 N N . ASN A 97 ? 0.8049 0.5979 0.1957 -0.0241 0.0470 0.0807 128 ASN A N 734 C CA . ASN A 97 ? 0.8472 0.6181 0.2290 -0.0313 0.0609 0.0920 128 ASN A CA 735 C C . ASN A 97 ? 0.8147 0.5902 0.2377 -0.0298 0.0601 0.0913 128 ASN A C 736 O O . ASN A 97 ? 0.8189 0.6010 0.2658 -0.0386 0.0756 0.0853 128 ASN A O 737 C CB . ASN A 97 ? 0.8629 0.6314 0.2334 -0.0451 0.0868 0.0875 128 ASN A CB 738 C CG . ASN A 97 ? 0.9115 0.6729 0.2361 -0.0478 0.0900 0.0869 128 ASN A CG 739 O OD1 . ASN A 97 ? 0.9282 0.6641 0.2069 -0.0495 0.0896 0.1006 128 ASN A OD1 740 N ND2 . ASN A 97 ? 0.9107 0.6930 0.2463 -0.0485 0.0940 0.0707 128 ASN A ND2 741 N N . PRO A 98 ? 0.7999 0.5728 0.2323 -0.0188 0.0420 0.0965 129 PRO A N 742 C CA . PRO A 98 ? 0.7600 0.5412 0.2325 -0.0179 0.0419 0.0913 129 PRO A CA 743 C C . PRO A 98 ? 0.7658 0.5270 0.2403 -0.0272 0.0562 0.0977 129 PRO A C 744 O O . PRO A 98 ? 0.7583 0.5264 0.2640 -0.0293 0.0582 0.0916 129 PRO A O 745 C CB . PRO A 98 ? 0.7497 0.5281 0.2266 -0.0039 0.0216 0.0966 129 PRO A CB 746 C CG . PRO A 98 ? 0.7825 0.5619 0.2312 0.0026 0.0088 0.1004 129 PRO A CG 747 C CD . PRO A 98 ? 0.8211 0.5823 0.2311 -0.0072 0.0223 0.1073 129 PRO A CD 748 N N . THR A 99 ? 0.8100 0.5449 0.2496 -0.0329 0.0649 0.1105 130 THR A N 749 C CA . THR A 99 ? 0.8149 0.5279 0.2559 -0.0428 0.0790 0.1175 130 THR A CA 750 C C . THR A 99 ? 0.8264 0.5458 0.2710 -0.0589 0.1027 0.1117 130 THR A C 751 O O . THR A 99 ? 0.8344 0.5421 0.2896 -0.0700 0.1167 0.1141 130 THR A O 752 C CB . THR A 99 ? 0.8685 0.5443 0.2718 -0.0398 0.0753 0.1370 130 THR A CB 753 O OG1 . THR A 99 ? 0.8799 0.5458 0.2389 -0.0425 0.0794 0.1449 130 THR A OG1 754 C CG2 . THR A 99 ? 0.8379 0.5100 0.2471 -0.0226 0.0521 0.1415 130 THR A CG2 755 N N . ALA A 100 ? 0.8150 0.5529 0.2528 -0.0604 0.1078 0.1034 131 ALA A N 756 C CA . ALA A 100 ? 0.8148 0.5666 0.2679 -0.0734 0.1296 0.0939 131 ALA A CA 757 C C . ALA A 100 ? 0.7771 0.5484 0.2818 -0.0772 0.1316 0.0832 131 ALA A C 758 O O . ALA A 100 ? 0.7486 0.5332 0.2789 -0.0680 0.1147 0.0774 131 ALA A O 759 C CB . ALA A 100 ? 0.8070 0.5788 0.2527 -0.0716 0.1324 0.0831 131 ALA A CB 760 N N . LYS A 101 ? 0.7951 0.5667 0.3136 -0.0915 0.1522 0.0812 132 LYS A N 761 C CA . LYS A 101 ? 0.7835 0.5698 0.3477 -0.0982 0.1552 0.0727 132 LYS A CA 762 C C . LYS A 101 ? 0.7342 0.5569 0.3357 -0.0936 0.1498 0.0568 132 LYS A C 763 O O . LYS A 101 ? 0.7033 0.5387 0.3343 -0.0894 0.1369 0.0506 132 LYS A O 764 C CB . LYS A 101 ? 0.8188 0.5979 0.3896 -0.1161 0.1799 0.0746 132 LYS A CB 765 C CG . LYS A 101 ? 0.8239 0.6199 0.4446 -0.1244 0.1816 0.0649 132 LYS A CG 766 C CD . LYS A 101 ? 0.8658 0.6879 0.5176 -0.1365 0.2022 0.0542 132 LYS A CD 767 C CE . LYS A 101 ? 0.9355 0.7388 0.5608 -0.1503 0.2289 0.0626 132 LYS A CE 768 N NZ . LYS A 101 ? 0.9871 0.7696 0.6193 -0.1655 0.2397 0.0698 132 LYS A NZ 769 N N . ARG A 102 ? 0.7295 0.5673 0.3284 -0.0947 0.1606 0.0500 133 ARG A N 770 C CA . ARG A 102 ? 0.6753 0.5460 0.3106 -0.0898 0.1565 0.0353 133 ARG A CA 771 C C . ARG A 102 ? 0.6684 0.5448 0.2867 -0.0770 0.1431 0.0323 133 ARG A C 772 O O . ARG A 102 ? 0.7079 0.5695 0.2859 -0.0754 0.1459 0.0374 133 ARG A O 773 C CB . ARG A 102 ? 0.6647 0.5526 0.3222 -0.1002 0.1794 0.0266 133 ARG A CB 774 C CG . ARG A 102 ? 0.6508 0.5387 0.3344 -0.1141 0.1921 0.0274 133 ARG A CG 775 C CD . ARG A 102 ? 0.6570 0.5555 0.3537 -0.1263 0.2192 0.0221 133 ARG A CD 776 N NE . ARG A 102 ? 0.6532 0.5792 0.3716 -0.1198 0.2222 0.0089 133 ARG A NE 777 C CZ . ARG A 102 ? 0.6487 0.5795 0.3609 -0.1250 0.2451 0.0038 133 ARG A CZ 778 N NH1 . ARG A 102 ? 0.6674 0.5786 0.3522 -0.1371 0.2657 0.0115 133 ARG A NH1 779 N NH2 . ARG A 102 ? 0.6483 0.6019 0.3810 -0.1183 0.2485 -0.0089 133 ARG A NH2 780 N N . HIS A 103 ? 0.6201 0.5176 0.2680 -0.0688 0.1290 0.0238 134 HIS A N 781 C CA . HIS A 103 ? 0.6032 0.5098 0.2433 -0.0585 0.1187 0.0184 134 HIS A CA 782 C C . HIS A 103 ? 0.5730 0.5068 0.2515 -0.0553 0.1178 0.0056 134 HIS A C 783 O O . HIS A 103 ? 0.5302 0.4779 0.2424 -0.0543 0.1104 0.0023 134 HIS A O 784 C CB . HIS A 103 ? 0.5792 0.4776 0.2048 -0.0480 0.0968 0.0243 134 HIS A CB 785 C CG . HIS A 103 ? 0.6235 0.4958 0.2067 -0.0470 0.0940 0.0368 134 HIS A CG 786 N ND1 . HIS A 103 ? 0.6439 0.4969 0.2191 -0.0486 0.0915 0.0473 134 HIS A ND1 787 C CD2 . HIS A 103 ? 0.6236 0.4852 0.1700 -0.0440 0.0917 0.0405 134 HIS A CD2 788 C CE1 . HIS A 103 ? 0.6513 0.4826 0.1874 -0.0459 0.0881 0.0583 134 HIS A CE1 789 N NE2 . HIS A 103 ? 0.6656 0.5026 0.1830 -0.0432 0.0872 0.0544 134 HIS A NE2 790 N N . LEU A 104 ? 0.5799 0.5194 0.2509 -0.0534 0.1252 -0.0015 135 LEU A N 791 C CA . LEU A 104 ? 0.5410 0.5006 0.2393 -0.0464 0.1196 -0.0122 135 LEU A CA 792 C C . LEU A 104 ? 0.5096 0.4687 0.2038 -0.0366 0.0976 -0.0100 135 LEU A C 793 O O . LEU A 104 ? 0.5187 0.4650 0.1812 -0.0333 0.0903 -0.0058 135 LEU A O 794 C CB . LEU A 104 ? 0.5561 0.5156 0.2391 -0.0466 0.1328 -0.0204 135 LEU A CB 795 C CG . LEU A 104 ? 0.5258 0.5006 0.2307 -0.0396 0.1313 -0.0326 135 LEU A CG 796 C CD1 . LEU A 104 ? 0.4608 0.4577 0.2169 -0.0384 0.1330 -0.0384 135 LEU A CD1 797 C CD2 . LEU A 104 ? 0.4957 0.4635 0.1750 -0.0429 0.1500 -0.0408 135 LEU A CD2 798 N N . VAL A 105 ? 0.4733 0.4472 0.1998 -0.0322 0.0866 -0.0128 136 VAL A N 799 C CA . VAL A 105 ? 0.4418 0.4148 0.1640 -0.0242 0.0680 -0.0104 136 VAL A CA 800 C C . VAL A 105 ? 0.4261 0.4117 0.1648 -0.0179 0.0632 -0.0185 136 VAL A C 801 O O . VAL A 105 ? 0.4174 0.4176 0.1878 -0.0173 0.0663 -0.0242 136 VAL A O 802 C CB . VAL A 105 ? 0.4550 0.4303 0.1937 -0.0243 0.0585 -0.0060 136 VAL A CB 803 C CG1 . VAL A 105 ? 0.4023 0.3751 0.1340 -0.0167 0.0416 -0.0028 136 VAL A CG1 804 C CG2 . VAL A 105 ? 0.4736 0.4345 0.1992 -0.0321 0.0668 0.0006 136 VAL A CG2 805 N N . LEU A 106 ? 0.4185 0.3984 0.1375 -0.0134 0.0558 -0.0191 137 LEU A N 806 C CA . LEU A 106 ? 0.4229 0.4115 0.1574 -0.0077 0.0484 -0.0251 137 LEU A CA 807 C C . LEU A 106 ? 0.4010 0.3917 0.1412 -0.0026 0.0313 -0.0200 137 LEU A C 808 O O . LEU A 106 ? 0.4111 0.3944 0.1337 -0.0018 0.0240 -0.0138 137 LEU A O 809 C CB . LEU A 106 ? 0.4222 0.4050 0.1372 -0.0071 0.0517 -0.0316 137 LEU A CB 810 C CG . LEU A 106 ? 0.5239 0.5026 0.2270 -0.0124 0.0703 -0.0374 137 LEU A CG 811 C CD1 . LEU A 106 ? 0.5191 0.4892 0.1956 -0.0125 0.0720 -0.0445 137 LEU A CD1 812 C CD2 . LEU A 106 ? 0.5050 0.4969 0.2434 -0.0131 0.0839 -0.0447 137 LEU A CD2 813 N N . ALA A 107 ? 0.3805 0.3808 0.1446 0.0010 0.0258 -0.0226 138 ALA A N 814 C CA . ALA A 107 ? 0.4042 0.4059 0.1718 0.0044 0.0125 -0.0175 138 ALA A CA 815 C C . ALA A 107 ? 0.4023 0.4096 0.1858 0.0085 0.0061 -0.0200 138 ALA A C 816 O O . ALA A 107 ? 0.4082 0.4207 0.2099 0.0098 0.0103 -0.0246 138 ALA A O 817 C CB . ALA A 107 ? 0.3677 0.3719 0.1444 0.0026 0.0101 -0.0129 138 ALA A CB 818 N N . CYS A 108 ? 0.4148 0.4201 0.1911 0.0106 -0.0030 -0.0171 139 CYS A N 819 C CA . CYS A 108 ? 0.3967 0.4044 0.1846 0.0134 -0.0093 -0.0172 139 CYS A CA 820 C C . CYS A 108 ? 0.3756 0.3841 0.1595 0.0141 -0.0171 -0.0108 139 CYS A C 821 O O . CYS A 108 ? 0.3901 0.3959 0.1615 0.0134 -0.0175 -0.0080 139 CYS A O 822 C CB . CYS A 108 ? 0.4097 0.4134 0.1901 0.0132 -0.0098 -0.0222 139 CYS A CB 823 S SG . CYS A 108 ? 0.4584 0.4592 0.2164 0.0120 -0.0158 -0.0204 139 CYS A SG 824 N N . HIS A 109 ? 0.3492 0.3597 0.1421 0.0156 -0.0225 -0.0082 140 HIS A N 825 C CA . HIS A 109 ? 0.3211 0.3316 0.1071 0.0159 -0.0276 -0.0038 140 HIS A CA 826 C C . HIS A 109 ? 0.3282 0.3383 0.1126 0.0156 -0.0294 -0.0053 140 HIS A C 827 O O . HIS A 109 ? 0.3299 0.3384 0.1228 0.0153 -0.0290 -0.0074 140 HIS A O 828 C CB . HIS A 109 ? 0.3252 0.3374 0.1182 0.0165 -0.0316 0.0004 140 HIS A CB 829 C CG . HIS A 109 ? 0.3306 0.3416 0.1320 0.0172 -0.0338 0.0018 140 HIS A CG 830 N ND1 . HIS A 109 ? 0.3103 0.3197 0.1083 0.0163 -0.0352 0.0041 140 HIS A ND1 831 C CD2 . HIS A 109 ? 0.3504 0.3606 0.1650 0.0190 -0.0343 0.0014 140 HIS A CD2 832 C CE1 . HIS A 109 ? 0.3687 0.3744 0.1751 0.0166 -0.0364 0.0058 140 HIS A CE1 833 N NE2 . HIS A 109 ? 0.3271 0.3326 0.1437 0.0189 -0.0363 0.0043 140 HIS A NE2 834 N N . TYR A 110 ? 0.3282 0.3397 0.1042 0.0158 -0.0315 -0.0045 141 TYR A N 835 C CA . TYR A 110 ? 0.3207 0.3347 0.0975 0.0147 -0.0344 -0.0066 141 TYR A CA 836 C C . TYR A 110 ? 0.3056 0.3237 0.0895 0.0141 -0.0360 -0.0032 141 TYR A C 837 O O . TYR A 110 ? 0.3086 0.3301 0.0979 0.0118 -0.0377 -0.0053 141 TYR A O 838 C CB . TYR A 110 ? 0.3315 0.3467 0.0972 0.0153 -0.0372 -0.0085 141 TYR A CB 839 C CG . TYR A 110 ? 0.3634 0.3825 0.1273 0.0186 -0.0403 -0.0041 141 TYR A CG 840 C CD1 . TYR A 110 ? 0.3211 0.3354 0.0782 0.0211 -0.0383 -0.0005 141 TYR A CD1 841 C CD2 . TYR A 110 ? 0.3248 0.3523 0.0967 0.0191 -0.0444 -0.0042 141 TYR A CD2 842 C CE1 . TYR A 110 ? 0.3393 0.3547 0.0958 0.0250 -0.0401 0.0026 141 TYR A CE1 843 C CE2 . TYR A 110 ? 0.3278 0.3595 0.1019 0.0234 -0.0459 -0.0010 141 TYR A CE2 844 C CZ . TYR A 110 ? 0.3742 0.3986 0.1397 0.0268 -0.0437 0.0022 141 TYR A CZ 845 O OH . TYR A 110 ? 0.3487 0.3745 0.1165 0.0319 -0.0443 0.0045 141 TYR A OH 846 N N . ASP A 111 ? 0.3120 0.3298 0.0958 0.0151 -0.0350 0.0012 142 ASP A N 847 C CA . ASP A 111 ? 0.3049 0.3245 0.0932 0.0133 -0.0343 0.0044 142 ASP A CA 848 C C . ASP A 111 ? 0.3377 0.3523 0.1331 0.0106 -0.0340 0.0059 142 ASP A C 849 O O . ASP A 111 ? 0.3457 0.3556 0.1443 0.0114 -0.0346 0.0043 142 ASP A O 850 C CB . ASP A 111 ? 0.3357 0.3542 0.1175 0.0145 -0.0331 0.0082 142 ASP A CB 851 C CG . ASP A 111 ? 0.2873 0.3008 0.0666 0.0149 -0.0349 0.0100 142 ASP A CG 852 O OD1 . ASP A 111 ? 0.2963 0.3092 0.0777 0.0158 -0.0353 0.0073 142 ASP A OD1 853 O OD2 . ASP A 111 ? 0.2677 0.2788 0.0423 0.0141 -0.0358 0.0139 142 ASP A OD2 854 N N . SER A 112 ? 0.3210 0.3358 0.1197 0.0074 -0.0322 0.0091 143 SER A N 855 C CA . SER A 112 ? 0.3173 0.3239 0.1201 0.0051 -0.0318 0.0129 143 SER A CA 856 C C . SER A 112 ? 0.3236 0.3277 0.1174 0.0045 -0.0304 0.0205 143 SER A C 857 O O . SER A 112 ? 0.3105 0.3199 0.0979 0.0047 -0.0280 0.0206 143 SER A O 858 C CB . SER A 112 ? 0.3376 0.3438 0.1502 -0.0001 -0.0301 0.0104 143 SER A CB 859 O OG . SER A 112 ? 0.3196 0.3344 0.1345 -0.0032 -0.0269 0.0111 143 SER A OG 860 N N . LYS A 113 ? 0.3160 0.3108 0.1081 0.0044 -0.0323 0.0264 144 LYS A N 861 C CA . LYS A 113 ? 0.3282 0.3185 0.1064 0.0040 -0.0329 0.0341 144 LYS A CA 862 C C . LYS A 113 ? 0.3527 0.3420 0.1269 -0.0015 -0.0258 0.0377 144 LYS A C 863 O O . LYS A 113 ? 0.3656 0.3505 0.1486 -0.0057 -0.0227 0.0392 144 LYS A O 864 C CB . LYS A 113 ? 0.3132 0.2934 0.0917 0.0062 -0.0389 0.0406 144 LYS A CB 865 C CG . LYS A 113 ? 0.3721 0.3454 0.1324 0.0056 -0.0422 0.0500 144 LYS A CG 866 C CD . LYS A 113 ? 0.3509 0.3180 0.1172 0.0106 -0.0521 0.0549 144 LYS A CD 867 C CE . LYS A 113 ? 0.3619 0.3203 0.1071 0.0098 -0.0580 0.0660 144 LYS A CE 868 N NZ . LYS A 113 ? 0.4030 0.3686 0.1316 0.0081 -0.0579 0.0621 144 LYS A NZ 869 N N . TYR A 114 ? 0.3686 0.3623 0.1313 -0.0022 -0.0218 0.0377 145 TYR A N 870 C CA . TYR A 114 ? 0.4020 0.3952 0.1600 -0.0080 -0.0126 0.0414 145 TYR A CA 871 C C . TYR A 114 ? 0.4410 0.4194 0.1886 -0.0117 -0.0127 0.0521 145 TYR A C 872 O O . TYR A 114 ? 0.4728 0.4431 0.2029 -0.0098 -0.0178 0.0580 145 TYR A O 873 C CB . TYR A 114 ? 0.3882 0.3867 0.1329 -0.0073 -0.0072 0.0390 145 TYR A CB 874 C CG . TYR A 114 ? 0.4071 0.4063 0.1460 -0.0131 0.0049 0.0417 145 TYR A CG 875 C CD1 . TYR A 114 ? 0.4325 0.4430 0.1912 -0.0163 0.0126 0.0378 145 TYR A CD1 876 C CD2 . TYR A 114 ? 0.4736 0.4627 0.1868 -0.0160 0.0088 0.0482 145 TYR A CD2 877 C CE1 . TYR A 114 ? 0.3953 0.4087 0.1529 -0.0223 0.0253 0.0397 145 TYR A CE1 878 C CE2 . TYR A 114 ? 0.4330 0.4227 0.1399 -0.0222 0.0226 0.0503 145 TYR A CE2 879 C CZ . TYR A 114 ? 0.4117 0.4144 0.1435 -0.0252 0.0314 0.0458 145 TYR A CZ 880 O OH . TYR A 114 ? 0.4763 0.4830 0.2084 -0.0318 0.0466 0.0468 145 TYR A OH 881 N N . PHE A 115 ? 0.4845 0.4585 0.2413 -0.0176 -0.0070 0.0552 146 PHE A N 882 C CA . PHE A 115 ? 0.5317 0.4886 0.2753 -0.0222 -0.0049 0.0674 146 PHE A CA 883 C C . PHE A 115 ? 0.5734 0.5293 0.3091 -0.0310 0.0088 0.0719 146 PHE A C 884 O O . PHE A 115 ? 0.5973 0.5636 0.3513 -0.0361 0.0171 0.0663 146 PHE A O 885 C CB . PHE A 115 ? 0.5163 0.4606 0.2730 -0.0220 -0.0100 0.0709 146 PHE A CB 886 C CG . PHE A 115 ? 0.5088 0.4478 0.2655 -0.0133 -0.0226 0.0720 146 PHE A CG 887 C CD1 . PHE A 115 ? 0.4994 0.4273 0.2380 -0.0101 -0.0298 0.0826 146 PHE A CD1 888 C CD2 . PHE A 115 ? 0.4375 0.3834 0.2128 -0.0085 -0.0272 0.0623 146 PHE A CD2 889 C CE1 . PHE A 115 ? 0.4817 0.4083 0.2258 -0.0020 -0.0417 0.0830 146 PHE A CE1 890 C CE2 . PHE A 115 ? 0.4385 0.3819 0.2180 -0.0009 -0.0365 0.0624 146 PHE A CE2 891 C CZ . PHE A 115 ? 0.4589 0.3940 0.2258 0.0026 -0.0439 0.0724 146 PHE A CZ 892 N N . ASN A 119 ? 0.8820 0.7445 0.6716 -0.0653 0.0227 0.1028 150 ASN A N 893 C CA . ASN A 119 ? 0.9243 0.7587 0.7116 -0.0734 0.0285 0.1153 150 ASN A CA 894 C C . ASN A 119 ? 0.9236 0.7645 0.7292 -0.0891 0.0427 0.1101 150 ASN A C 895 O O . ASN A 119 ? 0.9528 0.7723 0.7653 -0.0985 0.0487 0.1161 150 ASN A O 896 C CB . ASN A 119 ? 0.9308 0.7447 0.7307 -0.0668 0.0186 0.1147 150 ASN A CB 897 C CG . ASN A 119 ? 0.9524 0.7469 0.7333 -0.0550 0.0074 0.1291 150 ASN A CG 898 O OD1 . ASN A 119 ? 0.9703 0.7507 0.7256 -0.0565 0.0089 0.1458 150 ASN A OD1 899 N ND2 . ASN A 119 ? 0.9212 0.7146 0.7153 -0.0434 -0.0037 0.1225 150 ASN A ND2 900 N N . ASN A 120 ? 0.8930 0.7636 0.7077 -0.0918 0.0481 0.0992 151 ASN A N 901 C CA . ASN A 120 ? 0.8636 0.7523 0.7087 -0.1024 0.0546 0.0861 151 ASN A CA 902 C C . ASN A 120 ? 0.8223 0.7157 0.6867 -0.0965 0.0418 0.0716 151 ASN A C 903 O O . ASN A 120 ? 0.8352 0.7259 0.7217 -0.1051 0.0425 0.0634 151 ASN A O 904 C CB . ASN A 120 ? 0.9042 0.7776 0.7581 -0.1190 0.0683 0.0933 151 ASN A CB 905 C CG . ASN A 120 ? 0.9023 0.8033 0.7853 -0.1316 0.0790 0.0819 151 ASN A CG 906 O OD1 . ASN A 120 ? 0.9074 0.8014 0.8100 -0.1458 0.0867 0.0809 151 ASN A OD1 907 N ND2 . ASN A 120 ? 0.8500 0.7818 0.7373 -0.1264 0.0793 0.0736 151 ASN A ND2 908 N N . ARG A 121 ? 0.7666 0.6658 0.6205 -0.0824 0.0305 0.0684 152 ARG A N 909 C CA . ARG A 121 ? 0.7080 0.6158 0.5742 -0.0751 0.0195 0.0542 152 ARG A CA 910 C C . ARG A 121 ? 0.6502 0.5798 0.5078 -0.0645 0.0137 0.0492 152 ARG A C 911 O O . ARG A 121 ? 0.6407 0.5744 0.4814 -0.0614 0.0166 0.0570 152 ARG A O 912 C CB . ARG A 121 ? 0.7234 0.6062 0.5861 -0.0682 0.0124 0.0572 152 ARG A CB 913 C CG . ARG A 121 ? 0.7512 0.6105 0.6256 -0.0774 0.0167 0.0589 152 ARG A CG 914 C CD . ARG A 121 ? 0.7878 0.6200 0.6550 -0.0683 0.0110 0.0671 152 ARG A CD 915 N NE . ARG A 121 ? 0.7669 0.6011 0.6444 -0.0596 0.0030 0.0534 152 ARG A NE 916 C CZ . ARG A 121 ? 0.7591 0.5778 0.6344 -0.0479 -0.0032 0.0570 152 ARG A CZ 917 N NH1 . ARG A 121 ? 0.7513 0.5523 0.6140 -0.0430 -0.0050 0.0747 152 ARG A NH1 918 N NH2 . ARG A 121 ? 0.6779 0.4993 0.5633 -0.0410 -0.0077 0.0431 152 ARG A NH2 919 N N . VAL A 122 ? 0.5858 0.5274 0.4531 -0.0597 0.0058 0.0362 153 VAL A N 920 C CA . VAL A 122 ? 0.5472 0.5080 0.4075 -0.0508 0.0010 0.0315 153 VAL A CA 921 C C . VAL A 122 ? 0.5074 0.4604 0.3595 -0.0401 -0.0075 0.0301 153 VAL A C 922 O O . VAL A 122 ? 0.5245 0.4676 0.3843 -0.0398 -0.0107 0.0243 153 VAL A O 923 C CB . VAL A 122 ? 0.5264 0.5099 0.4028 -0.0532 -0.0017 0.0182 153 VAL A CB 924 C CG1 . VAL A 122 ? 0.5025 0.5029 0.3709 -0.0440 -0.0058 0.0154 153 VAL A CG1 925 C CG2 . VAL A 122 ? 0.5627 0.5570 0.4554 -0.0643 0.0061 0.0174 153 VAL A CG2 926 N N . PHE A 123 ? 0.4692 0.4270 0.3069 -0.0320 -0.0104 0.0342 154 PHE A N 927 C CA . PHE A 123 ? 0.4274 0.3825 0.2610 -0.0225 -0.0177 0.0318 154 PHE A CA 928 C C . PHE A 123 ? 0.4170 0.3872 0.2556 -0.0198 -0.0210 0.0195 154 PHE A C 929 O O . PHE A 123 ? 0.4128 0.3982 0.2483 -0.0193 -0.0204 0.0176 154 PHE A O 930 C CB . PHE A 123 ? 0.4088 0.3634 0.2261 -0.0162 -0.0203 0.0405 154 PHE A CB 931 C CG . PHE A 123 ? 0.3860 0.3388 0.2036 -0.0073 -0.0275 0.0384 154 PHE A CG 932 C CD1 . PHE A 123 ? 0.4212 0.3585 0.2450 -0.0037 -0.0308 0.0422 154 PHE A CD1 933 C CD2 . PHE A 123 ? 0.3752 0.3413 0.1894 -0.0026 -0.0302 0.0327 154 PHE A CD2 934 C CE1 . PHE A 123 ? 0.4188 0.3574 0.2481 0.0048 -0.0364 0.0392 154 PHE A CE1 935 C CE2 . PHE A 123 ? 0.3714 0.3374 0.1886 0.0042 -0.0351 0.0303 154 PHE A CE2 936 C CZ . PHE A 123 ? 0.3905 0.3442 0.2166 0.0081 -0.0380 0.0332 154 PHE A CZ 937 N N . VAL A 124 ? 0.4188 0.3840 0.2637 -0.0179 -0.0240 0.0113 155 VAL A N 938 C CA . VAL A 124 ? 0.4163 0.3941 0.2608 -0.0158 -0.0271 0.0006 155 VAL A CA 939 C C . VAL A 124 ? 0.4303 0.4069 0.2690 -0.0079 -0.0295 -0.0023 155 VAL A C 940 O O . VAL A 124 ? 0.4585 0.4423 0.2940 -0.0069 -0.0311 -0.0110 155 VAL A O 941 C CB . VAL A 124 ? 0.4353 0.4140 0.2890 -0.0226 -0.0281 -0.0106 155 VAL A CB 942 C CG1 . VAL A 124 ? 0.4432 0.4292 0.3077 -0.0321 -0.0258 -0.0097 155 VAL A CG1 943 C CG2 . VAL A 124 ? 0.4134 0.3745 0.2717 -0.0227 -0.0273 -0.0162 155 VAL A CG2 944 N N . GLY A 125 ? 0.4396 0.4080 0.2773 -0.0027 -0.0299 0.0048 156 GLY A N 945 C CA . GLY A 125 ? 0.4267 0.3956 0.2641 0.0046 -0.0314 0.0028 156 GLY A CA 946 C C . GLY A 125 ? 0.4423 0.4111 0.2823 0.0048 -0.0294 -0.0095 156 GLY A C 947 O O . GLY A 125 ? 0.4316 0.4096 0.2637 0.0057 -0.0293 -0.0148 156 GLY A O 948 N N . ALA A 126 ? 0.4581 0.4146 0.3070 0.0036 -0.0274 -0.0143 157 ALA A N 949 C CA . ALA A 126 ? 0.4512 0.4052 0.2998 0.0028 -0.0245 -0.0276 157 ALA A CA 950 C C . ALA A 126 ? 0.4454 0.4018 0.2948 0.0098 -0.0211 -0.0314 157 ALA A C 951 O O . ALA A 126 ? 0.4483 0.4108 0.2873 0.0091 -0.0187 -0.0393 157 ALA A O 952 C CB . ALA A 126 ? 0.4654 0.4034 0.3239 -0.0005 -0.0223 -0.0326 157 ALA A CB 953 N N . THR A 127 ? 0.4193 0.3711 0.2814 0.0162 -0.0209 -0.0258 158 THR A N 954 C CA . THR A 127 ? 0.3940 0.3531 0.2615 0.0226 -0.0184 -0.0271 158 THR A CA 955 C C . THR A 127 ? 0.3628 0.3356 0.2216 0.0228 -0.0220 -0.0199 158 THR A C 956 O O . THR A 127 ? 0.3517 0.3323 0.2117 0.0251 -0.0189 -0.0228 158 THR A O 957 C CB . THR A 127 ? 0.3887 0.3415 0.2768 0.0303 -0.0194 -0.0226 158 THR A CB 958 O OG1 . THR A 127 ? 0.3733 0.3239 0.2613 0.0310 -0.0275 -0.0085 158 THR A OG1 959 C CG2 . THR A 127 ? 0.4025 0.3397 0.3017 0.0317 -0.0144 -0.0308 158 THR A CG2 960 N N . ASP A 128 ? 0.3222 0.2969 0.1728 0.0199 -0.0273 -0.0113 159 ASP A N 961 C CA . ASP A 128 ? 0.2892 0.2725 0.1336 0.0208 -0.0315 -0.0034 159 ASP A CA 962 C C . ASP A 128 ? 0.2935 0.2827 0.1225 0.0158 -0.0319 -0.0031 159 ASP A C 963 O O . ASP A 128 ? 0.2819 0.2716 0.1057 0.0138 -0.0344 0.0036 159 ASP A O 964 C CB . ASP A 128 ? 0.2957 0.2724 0.1449 0.0226 -0.0367 0.0068 159 ASP A CB 965 C CG . ASP A 128 ? 0.2916 0.2748 0.1350 0.0241 -0.0426 0.0149 159 ASP A CG 966 O OD1 . ASP A 128 ? 0.3617 0.3381 0.2020 0.0245 -0.0475 0.0244 159 ASP A OD1 967 O OD2 . ASP A 128 ? 0.2829 0.2755 0.1234 0.0245 -0.0426 0.0124 159 ASP A OD2 968 N N . SER A 129 ? 0.2809 0.2742 0.1026 0.0142 -0.0293 -0.0103 160 SER A N 969 C CA . SER A 129 ? 0.3025 0.2958 0.1249 0.0158 -0.0247 -0.0176 160 SER A CA 970 C C . SER A 129 ? 0.3208 0.3136 0.1315 0.0123 -0.0232 -0.0253 160 SER A C 971 O O . SER A 129 ? 0.3221 0.3173 0.1226 0.0123 -0.0203 -0.0285 160 SER A O 972 C CB . SER A 129 ? 0.2946 0.2948 0.1138 0.0177 -0.0237 -0.0153 160 SER A CB 973 O OG . SER A 129 ? 0.3777 0.3793 0.2122 0.0214 -0.0235 -0.0133 160 SER A OG 974 N N . ALA A 130 ? 0.3452 0.3347 0.1565 0.0086 -0.0257 -0.0277 161 ALA A N 975 C CA . ALA A 130 ? 0.3554 0.3456 0.1557 0.0047 -0.0270 -0.0354 161 ALA A CA 976 C C . ALA A 130 ? 0.3783 0.3630 0.1716 0.0049 -0.0212 -0.0450 161 ALA A C 977 O O . ALA A 130 ? 0.4092 0.3951 0.1850 0.0030 -0.0216 -0.0498 161 ALA A O 978 C CB . ALA A 130 ? 0.3719 0.3588 0.1799 -0.0005 -0.0301 -0.0381 161 ALA A CB 979 N N . VAL A 131 ? 0.3865 0.3638 0.1927 0.0074 -0.0156 -0.0482 162 VAL A N 980 C CA . VAL A 131 ? 0.4121 0.3836 0.2147 0.0080 -0.0075 -0.0590 162 VAL A CA 981 C C . VAL A 131 ? 0.4059 0.3834 0.1995 0.0101 -0.0017 -0.0579 162 VAL A C 982 O O . VAL A 131 ? 0.4116 0.3875 0.1852 0.0073 0.0023 -0.0643 162 VAL A O 983 C CB . VAL A 131 ? 0.4343 0.3955 0.2574 0.0113 -0.0025 -0.0634 162 VAL A CB 984 C CG1 . VAL A 131 ? 0.4396 0.3971 0.2630 0.0139 0.0092 -0.0747 162 VAL A CG1 985 C CG2 . VAL A 131 ? 0.4383 0.3893 0.2637 0.0066 -0.0060 -0.0681 162 VAL A CG2 986 N N . PRO A 132 ? 0.3861 0.3702 0.1923 0.0140 -0.0017 -0.0494 163 PRO A N 987 C CA . PRO A 132 ? 0.3920 0.3816 0.1898 0.0139 0.0037 -0.0481 163 PRO A CA 988 C C . PRO A 132 ? 0.4120 0.4016 0.1838 0.0102 0.0006 -0.0465 163 PRO A C 989 O O . PRO A 132 ? 0.4342 0.4206 0.1890 0.0079 0.0075 -0.0515 163 PRO A O 990 C CB . PRO A 132 ? 0.3794 0.3764 0.1928 0.0170 -0.0002 -0.0385 163 PRO A CB 991 C CG . PRO A 132 ? 0.3616 0.3561 0.1946 0.0205 -0.0041 -0.0367 163 PRO A CG 992 C CD . PRO A 132 ? 0.3700 0.3554 0.1970 0.0180 -0.0059 -0.0417 163 PRO A CD 993 N N . CYS A 133 ? 0.4022 0.3943 0.1698 0.0095 -0.0093 -0.0405 164 CYS A N 994 C CA . CYS A 133 ? 0.4135 0.4058 0.1585 0.0075 -0.0137 -0.0388 164 CYS A CA 995 C C . CYS A 133 ? 0.4299 0.4165 0.1562 0.0040 -0.0133 -0.0477 164 CYS A C 996 O O . CYS A 133 ? 0.4286 0.4122 0.1319 0.0028 -0.0125 -0.0471 164 CYS A O 997 C CB . CYS A 133 ? 0.4196 0.4173 0.1668 0.0080 -0.0238 -0.0325 164 CYS A CB 998 S SG . CYS A 133 ? 0.4423 0.4448 0.2051 0.0111 -0.0245 -0.0234 164 CYS A SG 999 N N . ALA A 134 ? 0.4176 0.4010 0.1515 0.0021 -0.0141 -0.0557 165 ALA A N 1000 C CA . ALA A 134 ? 0.4310 0.4086 0.1460 -0.0022 -0.0155 -0.0659 165 ALA A CA 1001 C C . ALA A 134 ? 0.4397 0.4097 0.1397 -0.0030 -0.0031 -0.0736 165 ALA A C 1002 O O . ALA A 134 ? 0.4821 0.4470 0.1547 -0.0065 -0.0032 -0.0789 165 ALA A O 1003 C CB . ALA A 134 ? 0.4219 0.3964 0.1499 -0.0054 -0.0193 -0.0736 165 ALA A CB 1004 N N . MET A 135 ? 0.4402 0.4098 0.1588 0.0001 0.0076 -0.0748 166 MET A N 1005 C CA . MET A 135 ? 0.4669 0.4326 0.1783 0.0000 0.0227 -0.0810 166 MET A CA 1006 C C . MET A 135 ? 0.4701 0.4367 0.1590 -0.0017 0.0251 -0.0740 166 MET A C 1007 O O . MET A 135 ? 0.4958 0.4557 0.1596 -0.0052 0.0332 -0.0794 166 MET A O 1008 C CB . MET A 135 ? 0.4544 0.4247 0.1979 0.0050 0.0310 -0.0804 166 MET A CB 1009 C CG . MET A 135 ? 0.4639 0.4287 0.2293 0.0077 0.0326 -0.0886 166 MET A CG 1010 S SD . MET A 135 ? 0.4947 0.4667 0.3006 0.0156 0.0356 -0.0831 166 MET A SD 1011 C CE . MET A 135 ? 0.4438 0.4157 0.2495 0.0160 0.0552 -0.0950 166 MET A CE 1012 N N . MET A 136 ? 0.4701 0.4434 0.1668 0.0004 0.0186 -0.0618 167 MET A N 1013 C CA . MET A 136 ? 0.4831 0.4544 0.1584 -0.0012 0.0193 -0.0534 167 MET A CA 1014 C C . MET A 136 ? 0.5025 0.4669 0.1448 -0.0039 0.0116 -0.0541 167 MET A C 1015 O O . MET A 136 ? 0.5189 0.4747 0.1319 -0.0073 0.0187 -0.0552 167 MET A O 1016 C CB . MET A 136 ? 0.4758 0.4536 0.1654 0.0018 0.0116 -0.0419 167 MET A CB 1017 C CG . MET A 136 ? 0.4601 0.4435 0.1740 0.0029 0.0202 -0.0405 167 MET A CG 1018 S SD . MET A 136 ? 0.4966 0.4874 0.2302 0.0062 0.0098 -0.0309 167 MET A SD 1019 C CE . MET A 136 ? 0.3992 0.3840 0.1095 0.0050 0.0062 -0.0216 167 MET A CE 1020 N N . LEU A 137 ? 0.4801 0.4483 0.1263 -0.0030 -0.0025 -0.0542 168 LEU A N 1021 C CA . LEU A 137 ? 0.5097 0.4739 0.1283 -0.0056 -0.0127 -0.0565 168 LEU A CA 1022 C C . LEU A 137 ? 0.5380 0.4925 0.1312 -0.0105 -0.0060 -0.0689 168 LEU A C 1023 O O . LEU A 137 ? 0.5735 0.5207 0.1319 -0.0131 -0.0095 -0.0681 168 LEU A O 1024 C CB . LEU A 137 ? 0.4981 0.4708 0.1314 -0.0047 -0.0281 -0.0563 168 LEU A CB 1025 C CG . LEU A 137 ? 0.4994 0.4814 0.1497 0.0000 -0.0367 -0.0443 168 LEU A CG 1026 C CD1 . LEU A 137 ? 0.4633 0.4548 0.1339 -0.0008 -0.0472 -0.0472 168 LEU A CD1 1027 C CD2 . LEU A 137 ? 0.4557 0.4356 0.0842 0.0023 -0.0446 -0.0353 168 LEU A CD2 1028 N N . GLU A 138 ? 0.5220 0.4748 0.1305 -0.0116 0.0033 -0.0806 169 GLU A N 1029 C CA . GLU A 138 ? 0.5462 0.4886 0.1313 -0.0164 0.0108 -0.0949 169 GLU A CA 1030 C C . GLU A 138 ? 0.5679 0.5030 0.1304 -0.0180 0.0278 -0.0947 169 GLU A C 1031 O O . GLU A 138 ? 0.5798 0.5042 0.1045 -0.0229 0.0325 -0.1015 169 GLU A O 1032 C CB . GLU A 138 ? 0.5308 0.4712 0.1410 -0.0163 0.0169 -0.1080 169 GLU A CB 1033 C CG . GLU A 138 ? 0.5901 0.5185 0.1825 -0.0196 0.0327 -0.1245 169 GLU A CG 1034 C CD . GLU A 138 ? 0.6310 0.5502 0.1829 -0.0264 0.0255 -0.1338 169 GLU A CD 1035 O OE1 . GLU A 138 ? 0.6769 0.6007 0.2219 -0.0281 0.0065 -0.1288 169 GLU A OE1 1036 O OE2 . GLU A 138 ? 0.6378 0.5458 0.1647 -0.0301 0.0386 -0.1467 169 GLU A OE2 1037 N N . LEU A 139 ? 0.5413 0.4822 0.1267 -0.0147 0.0376 -0.0871 170 LEU A N 1038 C CA . LEU A 139 ? 0.5578 0.4939 0.1270 -0.0172 0.0541 -0.0849 170 LEU A CA 1039 C C . LEU A 139 ? 0.5840 0.5114 0.1118 -0.0203 0.0476 -0.0750 170 LEU A C 1040 O O . LEU A 139 ? 0.6348 0.5508 0.1267 -0.0253 0.0576 -0.0789 170 LEU A O 1041 C CB . LEU A 139 ? 0.5237 0.4691 0.1265 -0.0142 0.0632 -0.0784 170 LEU A CB 1042 C CG . LEU A 139 ? 0.5466 0.4890 0.1391 -0.0181 0.0816 -0.0758 170 LEU A CG 1043 C CD1 . LEU A 139 ? 0.5180 0.4716 0.1507 -0.0160 0.0956 -0.0797 170 LEU A CD1 1044 C CD2 . LEU A 139 ? 0.5374 0.4762 0.1133 -0.0194 0.0748 -0.0598 170 LEU A CD2 1045 N N . ALA A 140 ? 0.5508 0.4823 0.0826 -0.0170 0.0309 -0.0628 171 ALA A N 1046 C CA . ALA A 140 ? 0.5844 0.5077 0.0822 -0.0178 0.0216 -0.0515 171 ALA A CA 1047 C C . ALA A 140 ? 0.6343 0.5487 0.0922 -0.0216 0.0135 -0.0585 171 ALA A C 1048 O O . ALA A 140 ? 0.6942 0.5952 0.1097 -0.0251 0.0162 -0.0543 171 ALA A O 1049 C CB . ALA A 140 ? 0.5366 0.4687 0.0558 -0.0116 0.0039 -0.0390 171 ALA A CB 1050 N N . ARG A 141 ? 0.6358 0.5558 0.1049 -0.0220 0.0052 -0.0705 172 ARG A N 1051 C CA . ARG A 141 ? 0.6726 0.5850 0.1060 -0.0267 -0.0033 -0.0799 172 ARG A CA 1052 C C . ARG A 141 ? 0.7097 0.6096 0.1166 -0.0326 0.0167 -0.0927 172 ARG A C 1053 O O . ARG A 141 ? 0.7772 0.6647 0.1380 -0.0369 0.0172 -0.0922 172 ARG A O 1054 C CB . ARG A 141 ? 0.6598 0.5816 0.1153 -0.0269 -0.0186 -0.0895 172 ARG A CB 1055 C CG . ARG A 141 ? 0.6936 0.6104 0.1149 -0.0325 -0.0339 -0.0993 172 ARG A CG 1056 C CD . ARG A 141 ? 0.6740 0.5955 0.1219 -0.0356 -0.0367 -0.1157 172 ARG A CD 1057 N NE . ARG A 141 ? 0.6356 0.5487 0.0912 -0.0371 -0.0140 -0.1284 172 ARG A NE 1058 C CZ . ARG A 141 ? 0.6989 0.5978 0.1202 -0.0424 -0.0019 -0.1417 172 ARG A CZ 1059 N NH1 . ARG A 141 ? 0.7189 0.6097 0.0930 -0.0477 -0.0119 -0.1445 172 ARG A NH1 1060 N NH2 . ARG A 141 ? 0.7207 0.6138 0.1554 -0.0422 0.0198 -0.1529 172 ARG A NH2 1061 N N . ALA A 142 ? 0.6957 0.5980 0.1300 -0.0324 0.0336 -0.1040 173 ALA A N 1062 C CA . ALA A 142 ? 0.7255 0.6163 0.1361 -0.0376 0.0544 -0.1189 173 ALA A CA 1063 C C . ALA A 142 ? 0.7525 0.6340 0.1313 -0.0409 0.0702 -0.1108 173 ALA A C 1064 O O . ALA A 142 ? 0.7777 0.6460 0.1152 -0.0469 0.0818 -0.1190 173 ALA A O 1065 C CB . ALA A 142 ? 0.7049 0.6008 0.1563 -0.0349 0.0703 -0.1308 173 ALA A CB 1066 N N . LEU A 143 ? 0.7387 0.6261 0.1357 -0.0377 0.0712 -0.0946 174 LEU A N 1067 C CA . LEU A 143 ? 0.7505 0.6283 0.1213 -0.0420 0.0882 -0.0860 174 LEU A CA 1068 C C . LEU A 143 ? 0.7602 0.6262 0.0879 -0.0433 0.0740 -0.0699 174 LEU A C 1069 O O . LEU A 143 ? 0.8061 0.6613 0.1101 -0.0472 0.0864 -0.0600 174 LEU A O 1070 C CB . LEU A 143 ? 0.7053 0.5945 0.1211 -0.0393 0.1012 -0.0795 174 LEU A CB 1071 C CG . LEU A 143 ? 0.6801 0.5811 0.1400 -0.0368 0.1161 -0.0945 174 LEU A CG 1072 C CD1 . LEU A 143 ? 0.6095 0.5245 0.1162 -0.0338 0.1240 -0.0873 174 LEU A CD1 1073 C CD2 . LEU A 143 ? 0.6856 0.5782 0.1244 -0.0420 0.1393 -0.1116 174 LEU A CD2 1074 N N . ASP A 144 ? 0.7336 0.6011 0.0521 -0.0403 0.0482 -0.0670 175 ASP A N 1075 C CA . ASP A 144 ? 0.7593 0.6190 0.0487 -0.0384 0.0303 -0.0498 175 ASP A CA 1076 C C . ASP A 144 ? 0.8083 0.6469 0.0407 -0.0450 0.0419 -0.0441 175 ASP A C 1077 O O . ASP A 144 ? 0.8189 0.6478 0.0387 -0.0451 0.0460 -0.0277 175 ASP A O 1078 C CB . ASP A 144 ? 0.7692 0.6337 0.0496 -0.0360 0.0023 -0.0525 175 ASP A CB 1079 C CG . ASP A 144 ? 0.7943 0.6570 0.0634 -0.0302 -0.0201 -0.0333 175 ASP A CG 1080 O OD1 . ASP A 144 ? 0.8293 0.6894 0.1103 -0.0265 -0.0157 -0.0183 175 ASP A OD1 1081 O OD2 . ASP A 144 ? 0.7932 0.6582 0.0456 -0.0291 -0.0431 -0.0342 175 ASP A OD2 1082 N N . LYS A 145 ? 0.8535 0.6833 0.0500 -0.0513 0.0486 -0.0581 176 LYS A N 1083 C CA . LYS A 145 ? 0.9285 0.7368 0.0658 -0.0580 0.0591 -0.0514 176 LYS A CA 1084 C C . LYS A 145 ? 0.9353 0.7379 0.0793 -0.0619 0.0882 -0.0442 176 LYS A C 1085 O O . LYS A 145 ? 0.9495 0.7374 0.0654 -0.0637 0.0893 -0.0262 176 LYS A O 1086 C CB . LYS A 145 ? 0.9778 0.7762 0.0711 -0.0649 0.0627 -0.0690 176 LYS A CB 1087 C CG . LYS A 145 ? 1.0474 0.8325 0.0836 -0.0662 0.0380 -0.0609 176 LYS A CG 1088 C CD . LYS A 145 ? 1.0903 0.8680 0.0870 -0.0733 0.0373 -0.0822 176 LYS A CD 1089 C CE . LYS A 145 ? 1.0934 0.8775 0.0811 -0.0706 0.0004 -0.0834 176 LYS A CE 1090 N NZ . LYS A 145 ? 1.1005 0.8878 0.0854 -0.0759 -0.0025 -0.1096 176 LYS A NZ 1091 N N . LYS A 146 ? 0.9174 0.7320 0.1023 -0.0629 0.1103 -0.0571 177 LYS A N 1092 C CA . LYS A 146 ? 0.9215 0.7343 0.1185 -0.0674 0.1375 -0.0515 177 LYS A CA 1093 C C . LYS A 146 ? 0.8896 0.7063 0.1153 -0.0630 0.1283 -0.0321 177 LYS A C 1094 O O . LYS A 146 ? 0.9068 0.7127 0.1200 -0.0680 0.1421 -0.0200 177 LYS A O 1095 C CB . LYS A 146 ? 0.9108 0.7380 0.1498 -0.0684 0.1617 -0.0696 177 LYS A CB 1096 C CG . LYS A 146 ? 0.9372 0.7622 0.1592 -0.0706 0.1695 -0.0921 177 LYS A CG 1097 C CD . LYS A 146 ? 0.9899 0.8153 0.2174 -0.0765 0.2059 -0.1058 177 LYS A CD 1098 C CE . LYS A 146 ? 0.9813 0.8157 0.2363 -0.0731 0.2137 -0.1307 177 LYS A CE 1099 N NZ . LYS A 146 ? 1.0949 0.9208 0.3260 -0.0797 0.2452 -0.1488 177 LYS A NZ 1100 N N . LEU A 147 ? 0.8474 0.6781 0.1098 -0.0544 0.1057 -0.0294 178 LEU A N 1101 C CA . LEU A 147 ? 0.8133 0.6460 0.0999 -0.0499 0.0963 -0.0126 178 LEU A CA 1102 C C . LEU A 147 ? 0.8569 0.6693 0.0988 -0.0494 0.0825 0.0064 178 LEU A C 1103 O O . LEU A 147 ? 0.8458 0.6510 0.0949 -0.0486 0.0832 0.0216 178 LEU A O 1104 C CB . LEU A 147 ? 0.7619 0.6138 0.0945 -0.0409 0.0762 -0.0153 178 LEU A CB 1105 C CG . LEU A 147 ? 0.7187 0.5899 0.1037 -0.0394 0.0866 -0.0281 178 LEU A CG 1106 C CD1 . LEU A 147 ? 0.6375 0.5229 0.0538 -0.0316 0.0654 -0.0304 178 LEU A CD1 1107 C CD2 . LEU A 147 ? 0.7058 0.5803 0.1183 -0.0418 0.1020 -0.0214 178 LEU A CD2 1108 N N . LEU A 148 ? 0.8937 0.6963 0.0906 -0.0495 0.0689 0.0052 179 LEU A N 1109 C CA . LEU A 148 ? 0.9403 0.7236 0.0920 -0.0477 0.0523 0.0231 179 LEU A CA 1110 C C . LEU A 148 ? 1.0035 0.7634 0.1192 -0.0561 0.0743 0.0355 179 LEU A C 1111 O O . LEU A 148 ? 1.0299 0.7740 0.1300 -0.0537 0.0665 0.0551 179 LEU A O 1112 C CB . LEU A 148 ? 0.9777 0.7564 0.0855 -0.0477 0.0335 0.0168 179 LEU A CB 1113 C CG . LEU A 148 ? 0.9974 0.7593 0.0599 -0.0436 0.0089 0.0350 179 LEU A CG 1114 C CD1 . LEU A 148 ? 0.9346 0.7099 0.0388 -0.0312 -0.0173 0.0455 179 LEU A CD1 1115 C CD2 . LEU A 148 ? 1.0233 0.7760 0.0286 -0.0471 -0.0056 0.0288 179 LEU A CD2 1116 N N . SER A 149 ? 1.0340 0.7908 0.1364 -0.0659 0.1025 0.0244 180 SER A N 1117 C CA . SER A 149 ? 1.0796 0.8145 0.1465 -0.0762 0.1277 0.0347 180 SER A CA 1118 C C . SER A 149 ? 1.0787 0.8098 0.1760 -0.0770 0.1363 0.0503 180 SER A C 1119 O O . SER A 149 ? 1.0991 0.8055 0.1602 -0.0832 0.1459 0.0670 180 SER A O 1120 C CB . SER A 149 ? 1.0958 0.8351 0.1590 -0.0857 0.1589 0.0161 180 SER A CB 1121 O OG . SER A 149 ? 1.0254 0.7861 0.1515 -0.0859 0.1759 0.0067 180 SER A OG 1122 N N . LEU A 150 ? 1.0139 0.7679 0.1751 -0.0712 0.1320 0.0446 181 LEU A N 1123 C CA . LEU A 150 ? 1.0113 0.7661 0.2096 -0.0712 0.1366 0.0551 181 LEU A CA 1124 C C . LEU A 150 ? 1.0342 0.7706 0.2175 -0.0650 0.1162 0.0761 181 LEU A C 1125 O O . LEU A 150 ? 1.0053 0.7417 0.2209 -0.0636 0.1161 0.0837 181 LEU A O 1126 C CB . LEU A 150 ? 0.9456 0.7296 0.2098 -0.0643 0.1292 0.0432 181 LEU A CB 1127 C CG . LEU A 150 ? 0.9362 0.7417 0.2377 -0.0684 0.1491 0.0246 181 LEU A CG 1128 C CD1 . LEU A 150 ? 0.8445 0.6750 0.1986 -0.0591 0.1334 0.0151 181 LEU A CD1 1129 C CD2 . LEU A 150 ? 0.9661 0.7699 0.2853 -0.0782 0.1745 0.0281 181 LEU A CD2 1130 N N . LYS A 151 ? 1.0808 0.8027 0.2183 -0.0603 0.0971 0.0844 182 LYS A N 1131 C CA . LYS A 151 ? 1.0986 0.8048 0.2251 -0.0516 0.0747 0.1036 182 LYS A CA 1132 C C . LYS A 151 ? 1.1536 0.8245 0.2241 -0.0580 0.0830 0.1234 182 LYS A C 1133 O O . LYS A 151 ? 1.2132 0.8711 0.2346 -0.0665 0.0953 0.1223 182 LYS A O 1134 C CB . LYS A 151 ? 1.0870 0.8045 0.2103 -0.0400 0.0433 0.1006 182 LYS A CB 1135 C CG . LYS A 151 ? 1.1378 0.8384 0.2413 -0.0296 0.0176 0.1209 182 LYS A CG 1136 C CD . LYS A 151 ? 1.1324 0.8319 0.1967 -0.0243 -0.0074 0.1215 182 LYS A CD 1137 C CE . LYS A 151 ? 1.1560 0.8407 0.2082 -0.0123 -0.0335 0.1424 182 LYS A CE 1138 N NZ . LYS A 151 ? 1.1465 0.8478 0.1984 -0.0030 -0.0639 0.1376 182 LYS A NZ 1139 N N . ASP A 159 ? 0.9768 0.7510 0.3960 -0.1288 0.2512 0.0680 190 ASP A N 1140 C CA . ASP A 159 ? 0.9496 0.7187 0.3796 -0.1183 0.2236 0.0749 190 ASP A CA 1141 C C . ASP A 159 ? 0.8786 0.6798 0.3574 -0.1079 0.2068 0.0605 190 ASP A C 1142 O O . ASP A 159 ? 0.8438 0.6516 0.3562 -0.1046 0.1936 0.0603 190 ASP A O 1143 C CB . ASP A 159 ? 0.9723 0.7219 0.4103 -0.1265 0.2272 0.0870 190 ASP A CB 1144 C CG . ASP A 159 ? 1.0309 0.7591 0.4504 -0.1153 0.2020 0.0998 190 ASP A CG 1145 O OD1 . ASP A 159 ? 1.0412 0.7669 0.4891 -0.1147 0.1936 0.1016 190 ASP A OD1 1146 O OD2 . ASP A 159 ? 1.0908 0.8069 0.4688 -0.1061 0.1895 0.1064 190 ASP A OD2 1147 N N . LEU A 160 ? 0.8477 0.6663 0.3266 -0.1027 0.2073 0.0484 191 LEU A N 1148 C CA . LEU A 160 ? 0.7881 0.6356 0.3091 -0.0935 0.1945 0.0349 191 LEU A CA 1149 C C . LEU A 160 ? 0.7828 0.6284 0.2766 -0.0821 0.1770 0.0331 191 LEU A C 1150 O O . LEU A 160 ? 0.8111 0.6457 0.2649 -0.0837 0.1839 0.0331 191 LEU A O 1151 C CB . LEU A 160 ? 0.7660 0.6387 0.3233 -0.0993 0.2147 0.0199 191 LEU A CB 1152 C CG . LEU A 160 ? 0.6961 0.5963 0.2885 -0.0897 0.2060 0.0049 191 LEU A CG 1153 C CD1 . LEU A 160 ? 0.6217 0.5398 0.2614 -0.0840 0.1878 0.0028 191 LEU A CD1 1154 C CD2 . LEU A 160 ? 0.7389 0.6541 0.3500 -0.0966 0.2322 -0.0070 191 LEU A CD2 1155 N N . SER A 161 ? 0.7491 0.6051 0.2635 -0.0714 0.1542 0.0314 192 SER A N 1156 C CA . SER A 161 ? 0.7545 0.6122 0.2505 -0.0614 0.1373 0.0284 192 SER A CA 1157 C C . SER A 161 ? 0.7083 0.5901 0.2449 -0.0528 0.1235 0.0178 192 SER A C 1158 O O . SER A 161 ? 0.6947 0.5933 0.2738 -0.0542 0.1270 0.0122 192 SER A O 1159 C CB . SER A 161 ? 0.7804 0.6157 0.2395 -0.0562 0.1203 0.0430 192 SER A CB 1160 O OG . SER A 161 ? 0.8295 0.6609 0.2549 -0.0514 0.1110 0.0412 192 SER A OG 1161 N N . LEU A 162 ? 0.6971 0.5799 0.2198 -0.0443 0.1065 0.0161 193 LEU A N 1162 C CA . LEU A 162 ? 0.6257 0.5277 0.1795 -0.0363 0.0928 0.0073 193 LEU A CA 1163 C C . LEU A 162 ? 0.5894 0.4916 0.1521 -0.0285 0.0718 0.0142 193 LEU A C 1164 O O . LEU A 162 ? 0.5990 0.4873 0.1358 -0.0253 0.0614 0.0237 193 LEU A O 1165 C CB . LEU A 162 ? 0.6362 0.5406 0.1724 -0.0338 0.0908 -0.0021 193 LEU A CB 1166 C CG . LEU A 162 ? 0.5966 0.5194 0.1645 -0.0276 0.0823 -0.0134 193 LEU A CG 1167 C CD1 . LEU A 162 ? 0.5058 0.4443 0.1155 -0.0290 0.0934 -0.0202 193 LEU A CD1 1168 C CD2 . LEU A 162 ? 0.5677 0.4889 0.1150 -0.0270 0.0824 -0.0238 193 LEU A CD2 1169 N N . GLN A 163 ? 0.5460 0.4645 0.1458 -0.0248 0.0654 0.0092 194 GLN A N 1170 C CA . GLN A 163 ? 0.5140 0.4344 0.1218 -0.0173 0.0474 0.0135 194 GLN A CA 1171 C C . GLN A 163 ? 0.4901 0.4274 0.1191 -0.0125 0.0402 0.0041 194 GLN A C 1172 O O . GLN A 163 ? 0.4642 0.4132 0.1161 -0.0145 0.0484 -0.0039 194 GLN A O 1173 C CB . GLN A 163 ? 0.5073 0.4278 0.1367 -0.0187 0.0472 0.0174 194 GLN A CB 1174 C CG . GLN A 163 ? 0.5047 0.4261 0.1418 -0.0108 0.0306 0.0211 194 GLN A CG 1175 C CD . GLN A 163 ? 0.4836 0.3982 0.1319 -0.0132 0.0316 0.0253 194 GLN A CD 1176 O OE1 . GLN A 163 ? 0.4826 0.3812 0.1166 -0.0107 0.0272 0.0335 194 GLN A OE1 1177 N NE2 . GLN A 163 ? 0.4461 0.3716 0.1199 -0.0184 0.0377 0.0196 194 GLN A NE2 1178 N N . LEU A 164 ? 0.4751 0.4138 0.0984 -0.0062 0.0252 0.0052 195 LEU A N 1179 C CA . LEU A 164 ? 0.4658 0.4193 0.1139 -0.0021 0.0174 -0.0014 195 LEU A CA 1180 C C . LEU A 164 ? 0.4424 0.3998 0.1071 0.0023 0.0074 0.0034 195 LEU A C 1181 O O . LEU A 164 ? 0.4718 0.4213 0.1240 0.0055 0.0002 0.0106 195 LEU A O 1182 C CB . LEU A 164 ? 0.4606 0.4155 0.0955 0.0002 0.0097 -0.0063 195 LEU A CB 1183 C CG . LEU A 164 ? 0.5360 0.4847 0.1477 -0.0041 0.0182 -0.0125 195 LEU A CG 1184 C CD1 . LEU A 164 ? 0.4818 0.4301 0.0765 -0.0024 0.0060 -0.0164 195 LEU A CD1 1185 C CD2 . LEU A 164 ? 0.4975 0.4539 0.1310 -0.0065 0.0314 -0.0222 195 LEU A CD2 1186 N N . ILE A 165 ? 0.4219 0.3903 0.1131 0.0028 0.0071 -0.0003 196 ILE A N 1187 C CA . ILE A 165 ? 0.4057 0.3785 0.1100 0.0067 -0.0021 0.0024 196 ILE A CA 1188 C C . ILE A 165 ? 0.4064 0.3899 0.1247 0.0098 -0.0087 -0.0019 196 ILE A C 1189 O O . ILE A 165 ? 0.4284 0.4182 0.1602 0.0086 -0.0053 -0.0070 196 ILE A O 1190 C CB . ILE A 165 ? 0.3921 0.3670 0.1132 0.0038 0.0014 0.0028 196 ILE A CB 1191 C CG1 . ILE A 165 ? 0.4103 0.3732 0.1203 -0.0007 0.0087 0.0072 196 ILE A CG1 1192 C CG2 . ILE A 165 ? 0.3649 0.3427 0.0946 0.0074 -0.0073 0.0045 196 ILE A CG2 1193 C CD1 . ILE A 165 ? 0.4075 0.3729 0.1348 -0.0057 0.0127 0.0060 196 ILE A CD1 1194 N N . PHE A 166 ? 0.4012 0.3865 0.1180 0.0137 -0.0175 0.0002 197 PHE A N 1195 C CA . PHE A 166 ? 0.3622 0.3564 0.0937 0.0153 -0.0225 -0.0023 197 PHE A CA 1196 C C . PHE A 166 ? 0.3668 0.3631 0.1067 0.0174 -0.0257 0.0011 197 PHE A C 1197 O O . PHE A 166 ? 0.3673 0.3627 0.1031 0.0206 -0.0299 0.0039 197 PHE A O 1198 C CB . PHE A 166 ? 0.3684 0.3651 0.0940 0.0170 -0.0291 -0.0035 197 PHE A CB 1199 C CG . PHE A 166 ? 0.3424 0.3346 0.0521 0.0147 -0.0275 -0.0072 197 PHE A CG 1200 C CD1 . PHE A 166 ? 0.3767 0.3715 0.0904 0.0125 -0.0266 -0.0144 197 PHE A CD1 1201 C CD2 . PHE A 166 ? 0.4032 0.3867 0.0923 0.0146 -0.0264 -0.0037 197 PHE A CD2 1202 C CE1 . PHE A 166 ? 0.4191 0.4085 0.1146 0.0098 -0.0247 -0.0199 197 PHE A CE1 1203 C CE2 . PHE A 166 ? 0.4178 0.3960 0.0868 0.0119 -0.0248 -0.0074 197 PHE A CE2 1204 C CZ . PHE A 166 ? 0.3985 0.3801 0.0708 0.0093 -0.0236 -0.0163 197 PHE A CZ 1205 N N . PHE A 167 ? 0.3587 0.3582 0.1104 0.0158 -0.0241 0.0002 198 PHE A N 1206 C CA . PHE A 167 ? 0.3462 0.3466 0.1024 0.0166 -0.0267 0.0023 198 PHE A CA 1207 C C . PHE A 167 ? 0.3590 0.3643 0.1192 0.0186 -0.0306 0.0030 198 PHE A C 1208 O O . PHE A 167 ? 0.3575 0.3668 0.1244 0.0180 -0.0316 0.0018 198 PHE A O 1209 C CB . PHE A 167 ? 0.3212 0.3246 0.0882 0.0141 -0.0261 0.0013 198 PHE A CB 1210 C CG . PHE A 167 ? 0.3630 0.3640 0.1313 0.0108 -0.0215 0.0004 198 PHE A CG 1211 C CD1 . PHE A 167 ? 0.3420 0.3358 0.1033 0.0092 -0.0206 0.0018 198 PHE A CD1 1212 C CD2 . PHE A 167 ? 0.3847 0.3905 0.1644 0.0088 -0.0174 -0.0025 198 PHE A CD2 1213 C CE1 . PHE A 167 ? 0.3679 0.3585 0.1320 0.0043 -0.0153 0.0010 198 PHE A CE1 1214 C CE2 . PHE A 167 ? 0.3891 0.3946 0.1737 0.0044 -0.0114 -0.0038 198 PHE A CE2 1215 C CZ . PHE A 167 ? 0.3747 0.3728 0.1515 0.0014 -0.0105 -0.0018 198 PHE A CZ 1216 N N . ASP A 168 ? 0.3299 0.3342 0.0873 0.0205 -0.0316 0.0045 199 ASP A N 1217 C CA . ASP A 168 ? 0.3361 0.3455 0.0974 0.0215 -0.0328 0.0050 199 ASP A CA 1218 C C . ASP A 168 ? 0.3123 0.3206 0.0734 0.0196 -0.0327 0.0058 199 ASP A C 1219 O O . ASP A 168 ? 0.3460 0.3502 0.1042 0.0183 -0.0328 0.0052 199 ASP A O 1220 C CB . ASP A 168 ? 0.3345 0.3447 0.0942 0.0256 -0.0327 0.0053 199 ASP A CB 1221 C CG . ASP A 168 ? 0.3879 0.4064 0.1553 0.0259 -0.0318 0.0051 199 ASP A CG 1222 O OD1 . ASP A 168 ? 0.3535 0.3740 0.1239 0.0223 -0.0311 0.0058 199 ASP A OD1 1223 O OD2 . ASP A 168 ? 0.4509 0.4738 0.2227 0.0298 -0.0313 0.0046 199 ASP A OD2 1224 N N . GLY A 169 ? 0.3083 0.3196 0.0710 0.0187 -0.0326 0.0073 200 GLY A N 1225 C CA . GLY A 169 ? 0.2872 0.2957 0.0436 0.0169 -0.0333 0.0086 200 GLY A CA 1226 C C . GLY A 169 ? 0.3244 0.3316 0.0830 0.0149 -0.0379 0.0097 200 GLY A C 1227 O O . GLY A 169 ? 0.3121 0.3170 0.0639 0.0132 -0.0410 0.0104 200 GLY A O 1228 N N . GLU A 170 ? 0.3211 0.3304 0.0899 0.0152 -0.0389 0.0094 201 GLU A N 1229 C CA . GLU A 170 ? 0.3360 0.3467 0.1130 0.0146 -0.0434 0.0108 201 GLU A CA 1230 C C . GLU A 170 ? 0.3349 0.3438 0.1073 0.0142 -0.0485 0.0158 201 GLU A C 1231 O O . GLU A 170 ? 0.3653 0.3748 0.1366 0.0133 -0.0546 0.0169 201 GLU A O 1232 C CB . GLU A 170 ? 0.3236 0.3363 0.1136 0.0160 -0.0419 0.0095 201 GLU A CB 1233 C CG . GLU A 170 ? 0.3866 0.4030 0.1908 0.0167 -0.0452 0.0092 201 GLU A CG 1234 C CD . GLU A 170 ? 0.4136 0.4291 0.2242 0.0188 -0.0519 0.0144 201 GLU A CD 1235 O OE1 . GLU A 170 ? 0.3908 0.4010 0.1963 0.0191 -0.0515 0.0178 201 GLU A OE1 1236 O OE2 . GLU A 170 ? 0.4751 0.4953 0.2972 0.0201 -0.0580 0.0155 201 GLU A OE2 1237 N N . GLU A 171 ? 0.3396 0.3459 0.1090 0.0141 -0.0466 0.0193 202 GLU A N 1238 C CA . GLU A 171 ? 0.3199 0.3214 0.0823 0.0132 -0.0501 0.0260 202 GLU A CA 1239 C C . GLU A 171 ? 0.3486 0.3468 0.0918 0.0108 -0.0503 0.0279 202 GLU A C 1240 O O . GLU A 171 ? 0.3691 0.3682 0.1048 0.0100 -0.0441 0.0241 202 GLU A O 1241 C CB . GLU A 171 ? 0.3344 0.3330 0.1007 0.0123 -0.0454 0.0286 202 GLU A CB 1242 C CG . GLU A 171 ? 0.2832 0.2828 0.0670 0.0141 -0.0447 0.0251 202 GLU A CG 1243 C CD . GLU A 171 ? 0.3058 0.3006 0.0994 0.0168 -0.0504 0.0295 202 GLU A CD 1244 O OE1 . GLU A 171 ? 0.3010 0.2929 0.0878 0.0175 -0.0570 0.0359 202 GLU A OE1 1245 O OE2 . GLU A 171 ? 0.2883 0.2808 0.0951 0.0184 -0.0489 0.0269 202 GLU A OE2 1246 N N . ALA A 172 ? 0.3660 0.3594 0.1000 0.0101 -0.0570 0.0342 203 ALA A N 1247 C CA . ALA A 172 ? 0.4183 0.4060 0.1285 0.0069 -0.0562 0.0370 203 ALA A CA 1248 C C . ALA A 172 ? 0.4501 0.4351 0.1549 0.0047 -0.0455 0.0392 203 ALA A C 1249 O O . ALA A 172 ? 0.4917 0.4759 0.2084 0.0048 -0.0430 0.0426 203 ALA A O 1250 C CB . ALA A 172 ? 0.3982 0.3801 0.0982 0.0067 -0.0668 0.0451 203 ALA A CB 1251 N N . PHE A 173 ? 0.4695 0.4536 0.1587 0.0024 -0.0383 0.0360 204 PHE A N 1252 C CA . PHE A 173 ? 0.4843 0.4679 0.1697 -0.0004 -0.0269 0.0378 204 PHE A CA 1253 C C . PHE A 173 ? 0.5027 0.4756 0.1681 -0.0043 -0.0281 0.0477 204 PHE A C 1254 O O . PHE A 173 ? 0.5184 0.4884 0.1852 -0.0075 -0.0207 0.0531 204 PHE A O 1255 C CB . PHE A 173 ? 0.4701 0.4575 0.1490 -0.0005 -0.0166 0.0299 204 PHE A CB 1256 C CG . PHE A 173 ? 0.5005 0.4980 0.2017 0.0027 -0.0116 0.0239 204 PHE A CG 1257 C CD1 . PHE A 173 ? 0.4843 0.4846 0.1933 0.0070 -0.0156 0.0176 204 PHE A CD1 1258 C CD2 . PHE A 173 ? 0.4528 0.4568 0.1679 0.0011 -0.0038 0.0250 204 PHE A CD2 1259 C CE1 . PHE A 173 ? 0.4275 0.4354 0.1537 0.0104 -0.0130 0.0137 204 PHE A CE1 1260 C CE2 . PHE A 173 ? 0.4605 0.4750 0.1963 0.0045 -0.0024 0.0196 204 PHE A CE2 1261 C CZ . PHE A 173 ? 0.4832 0.4990 0.2230 0.0096 -0.0074 0.0146 204 PHE A CZ 1262 N N . LEU A 174 ? 0.5002 0.4669 0.1469 -0.0044 -0.0378 0.0506 205 LEU A N 1263 C CA . LEU A 174 ? 0.5243 0.4788 0.1456 -0.0080 -0.0400 0.0612 205 LEU A CA 1264 C C . LEU A 174 ? 0.5313 0.4798 0.1499 -0.0054 -0.0574 0.0700 205 LEU A C 1265 O O . LEU A 174 ? 0.5564 0.4949 0.1702 -0.0059 -0.0601 0.0816 205 LEU A O 1266 C CB . LEU A 174 ? 0.5339 0.4836 0.1240 -0.0122 -0.0334 0.0579 205 LEU A CB 1267 C CG . LEU A 174 ? 0.5853 0.5204 0.1400 -0.0168 -0.0360 0.0687 205 LEU A CG 1268 C CD1 . LEU A 174 ? 0.6331 0.5601 0.1853 -0.0208 -0.0259 0.0800 205 LEU A CD1 1269 C CD2 . LEU A 174 ? 0.6396 0.5711 0.1642 -0.0209 -0.0277 0.0617 205 LEU A CD2 1270 N N . HIS A 175 ? 0.5183 0.4729 0.1417 -0.0026 -0.0690 0.0645 206 HIS A N 1271 C CA . HIS A 175 ? 0.5548 0.5072 0.1768 0.0000 -0.0865 0.0712 206 HIS A CA 1272 C C . HIS A 175 ? 0.5478 0.5128 0.1885 0.0021 -0.0931 0.0606 206 HIS A C 1273 O O . HIS A 175 ? 0.5376 0.5048 0.1671 -0.0010 -0.0900 0.0512 206 HIS A O 1274 C CB . HIS A 175 ? 0.5754 0.5169 0.1583 -0.0041 -0.0930 0.0773 206 HIS A CB 1275 C CG . HIS A 175 ? 0.6396 0.5786 0.2195 -0.0009 -0.1138 0.0864 206 HIS A CG 1276 N ND1 . HIS A 175 ? 0.6482 0.5996 0.2556 0.0037 -0.1272 0.0822 206 HIS A ND1 1277 C CD2 . HIS A 175 ? 0.6671 0.5930 0.2196 -0.0016 -0.1241 0.0997 206 HIS A CD2 1278 C CE1 . HIS A 175 ? 0.5922 0.5404 0.1932 0.0065 -0.1457 0.0920 206 HIS A CE1 1279 N NE2 . HIS A 175 ? 0.6870 0.6187 0.2537 0.0037 -0.1450 0.1035 206 HIS A NE2 1280 N N . TRP A 176 ? 0.5427 0.5147 0.2120 0.0071 -0.1010 0.0617 207 TRP A N 1281 C CA . TRP A 176 ? 0.5164 0.5007 0.2091 0.0085 -0.1023 0.0518 207 TRP A CA 1282 C C . TRP A 176 ? 0.5419 0.5305 0.2261 0.0057 -0.1141 0.0474 207 TRP A C 1283 O O . TRP A 176 ? 0.5706 0.5611 0.2563 0.0074 -0.1294 0.0529 207 TRP A O 1284 C CB . TRP A 176 ? 0.4936 0.4841 0.2177 0.0142 -0.1070 0.0542 207 TRP A CB 1285 C CG . TRP A 176 ? 0.4391 0.4424 0.1868 0.0147 -0.1068 0.0445 207 TRP A CG 1286 C CD1 . TRP A 176 ? 0.3823 0.3938 0.1338 0.0126 -0.1161 0.0397 207 TRP A CD1 1287 C CD2 . TRP A 176 ? 0.3348 0.3435 0.1045 0.0165 -0.0963 0.0384 207 TRP A CD2 1288 N NE1 . TRP A 176 ? 0.3733 0.3947 0.1492 0.0125 -0.1100 0.0313 207 TRP A NE1 1289 C CE2 . TRP A 176 ? 0.3217 0.3410 0.1071 0.0153 -0.0983 0.0310 207 TRP A CE2 1290 C CE3 . TRP A 176 ? 0.3967 0.4019 0.1727 0.0182 -0.0856 0.0382 207 TRP A CE3 1291 C CZ2 . TRP A 176 ? 0.3031 0.3283 0.1076 0.0159 -0.0887 0.0244 207 TRP A CZ2 1292 C CZ3 . TRP A 176 ? 0.3402 0.3518 0.1348 0.0192 -0.0779 0.0308 207 TRP A CZ3 1293 C CH2 . TRP A 176 ? 0.3126 0.3334 0.1193 0.0181 -0.0791 0.0246 207 TRP A CH2 1294 N N . SER A 177 ? 0.5335 0.5233 0.2100 0.0016 -0.1078 0.0371 208 SER A N 1295 C CA . SER A 177 ? 0.5539 0.5471 0.2237 -0.0025 -0.1186 0.0307 208 SER A CA 1296 C C . SER A 177 ? 0.5302 0.5295 0.2175 -0.0044 -0.1117 0.0194 208 SER A C 1297 O O . SER A 177 ? 0.5047 0.5054 0.2072 -0.0017 -0.0990 0.0178 208 SER A O 1298 C CB . SER A 177 ? 0.5808 0.5627 0.2102 -0.0075 -0.1215 0.0308 208 SER A CB 1299 O OG . SER A 177 ? 0.6285 0.6035 0.2430 -0.0099 -0.1050 0.0235 208 SER A OG 1300 N N . PRO A 178 ? 0.5317 0.5347 0.2191 -0.0094 -0.1209 0.0122 209 PRO A N 1301 C CA . PRO A 178 ? 0.5245 0.5300 0.2265 -0.0124 -0.1133 0.0022 209 PRO A CA 1302 C C . PRO A 178 ? 0.5050 0.4999 0.1939 -0.0119 -0.0968 -0.0019 209 PRO A C 1303 O O . PRO A 178 ? 0.4661 0.4626 0.1712 -0.0102 -0.0877 -0.0041 209 PRO A O 1304 C CB . PRO A 178 ? 0.5365 0.5438 0.2328 -0.0195 -0.1258 -0.0051 209 PRO A CB 1305 C CG . PRO A 178 ? 0.5686 0.5848 0.2700 -0.0175 -0.1439 0.0028 209 PRO A CG 1306 C CD . PRO A 178 ? 0.5759 0.5828 0.2564 -0.0124 -0.1400 0.0133 209 PRO A CD 1307 N N . GLN A 179 ? 0.5238 0.5087 0.1841 -0.0127 -0.0929 -0.0020 210 GLN A N 1308 C CA . GLN A 179 ? 0.5206 0.4970 0.1709 -0.0114 -0.0774 -0.0067 210 GLN A CA 1309 C C . GLN A 179 ? 0.5060 0.4836 0.1598 -0.0063 -0.0678 0.0002 210 GLN A C 1310 O O . GLN A 179 ? 0.5172 0.4930 0.1751 -0.0035 -0.0560 -0.0027 210 GLN A O 1311 C CB . GLN A 179 ? 0.5677 0.5330 0.1867 -0.0154 -0.0755 -0.0132 210 GLN A CB 1312 C CG . GLN A 179 ? 0.5987 0.5616 0.2107 -0.0221 -0.0868 -0.0215 210 GLN A CG 1313 C CD . GLN A 179 ? 0.6931 0.6445 0.2690 -0.0265 -0.0869 -0.0273 210 GLN A CD 1314 O OE1 . GLN A 179 ? 0.7339 0.6749 0.2971 -0.0264 -0.0739 -0.0356 210 GLN A OE1 1315 N NE2 . GLN A 179 ? 0.7280 0.6804 0.2862 -0.0302 -0.1019 -0.0236 210 GLN A NE2 1316 N N . ASP A 180 ? 0.4842 0.4651 0.1396 -0.0048 -0.0735 0.0096 211 ASP A N 1317 C CA . ASP A 180 ? 0.4513 0.4331 0.1125 -0.0014 -0.0648 0.0159 211 ASP A CA 1318 C C . ASP A 180 ? 0.4275 0.4169 0.1151 0.0020 -0.0690 0.0202 211 ASP A C 1319 O O . ASP A 180 ? 0.4420 0.4318 0.1328 0.0033 -0.0764 0.0280 211 ASP A O 1320 C CB . ASP A 180 ? 0.4817 0.4565 0.1193 -0.0032 -0.0646 0.0236 211 ASP A CB 1321 C CG . ASP A 180 ? 0.4999 0.4751 0.1448 -0.0015 -0.0537 0.0291 211 ASP A CG 1322 O OD1 . ASP A 180 ? 0.4460 0.4151 0.0759 -0.0035 -0.0532 0.0370 211 ASP A OD1 1323 O OD2 . ASP A 180 ? 0.4199 0.4012 0.0851 0.0012 -0.0466 0.0257 211 ASP A OD2 1324 N N . SER A 181 ? 0.3946 0.3885 0.0998 0.0036 -0.0641 0.0149 212 SER A N 1325 C CA . SER A 181 ? 0.3716 0.3721 0.1004 0.0065 -0.0642 0.0163 212 SER A CA 1326 C C . SER A 181 ? 0.3448 0.3472 0.0831 0.0061 -0.0601 0.0099 212 SER A C 1327 O O . SER A 181 ? 0.3488 0.3477 0.0792 0.0035 -0.0598 0.0049 212 SER A O 1328 C CB . SER A 181 ? 0.3907 0.3962 0.1324 0.0075 -0.0752 0.0206 212 SER A CB 1329 O OG . SER A 181 ? 0.4041 0.4134 0.1471 0.0046 -0.0846 0.0173 212 SER A OG 1330 N N . LEU A 182 ? 0.3574 0.3639 0.1115 0.0083 -0.0561 0.0098 213 LEU A N 1331 C CA . LEU A 182 ? 0.3468 0.3541 0.1091 0.0074 -0.0522 0.0053 213 LEU A CA 1332 C C . LEU A 182 ? 0.3634 0.3633 0.1141 0.0067 -0.0469 0.0016 213 LEU A C 1333 O O . LEU A 182 ? 0.3952 0.3919 0.1477 0.0038 -0.0459 -0.0020 213 LEU A O 1334 C CB . LEU A 182 ? 0.3736 0.3862 0.1473 0.0040 -0.0584 0.0031 213 LEU A CB 1335 C CG . LEU A 182 ? 0.3707 0.3918 0.1600 0.0056 -0.0661 0.0064 213 LEU A CG 1336 C CD1 . LEU A 182 ? 0.3851 0.4147 0.1893 0.0018 -0.0731 0.0031 213 LEU A CD1 1337 C CD2 . LEU A 182 ? 0.2932 0.3172 0.0961 0.0094 -0.0602 0.0075 213 LEU A CD2 1338 N N . TYR A 183 ? 0.3356 0.3323 0.0766 0.0093 -0.0427 0.0024 214 TYR A N 1339 C CA . TYR A 183 ? 0.3505 0.3397 0.0822 0.0104 -0.0375 -0.0014 214 TYR A CA 1340 C C . TYR A 183 ? 0.3630 0.3497 0.1017 0.0119 -0.0343 -0.0017 214 TYR A C 1341 O O . TYR A 183 ? 0.3930 0.3717 0.1290 0.0103 -0.0327 -0.0045 214 TYR A O 1342 C CB . TYR A 183 ? 0.3074 0.2977 0.0341 0.0138 -0.0327 -0.0002 214 TYR A CB 1343 C CG . TYR A 183 ? 0.3488 0.3388 0.0634 0.0115 -0.0335 0.0008 214 TYR A CG 1344 C CD1 . TYR A 183 ? 0.3290 0.3122 0.0284 0.0102 -0.0306 -0.0038 214 TYR A CD1 1345 C CD2 . TYR A 183 ? 0.3229 0.3173 0.0392 0.0105 -0.0361 0.0066 214 TYR A CD2 1346 C CE1 . TYR A 183 ? 0.3935 0.3745 0.0750 0.0070 -0.0307 -0.0024 214 TYR A CE1 1347 C CE2 . TYR A 183 ? 0.3449 0.3361 0.0452 0.0078 -0.0368 0.0095 214 TYR A CE2 1348 C CZ . TYR A 183 ? 0.3442 0.3293 0.0264 0.0060 -0.0336 0.0051 214 TYR A CZ 1349 O OH . TYR A 183 ? 0.4498 0.4305 0.1119 0.0027 -0.0334 0.0081 214 TYR A OH 1350 N N . GLY A 184 ? 0.3520 0.3440 0.0978 0.0141 -0.0334 0.0012 215 GLY A N 1351 C CA . GLY A 184 ? 0.3429 0.3320 0.0906 0.0158 -0.0304 0.0021 215 GLY A CA 1352 C C . GLY A 184 ? 0.3639 0.3490 0.1141 0.0112 -0.0294 0.0008 215 GLY A C 1353 O O . GLY A 184 ? 0.3649 0.3402 0.1099 0.0106 -0.0266 0.0004 215 GLY A O 1354 N N . SER A 185 ? 0.3633 0.3560 0.1235 0.0081 -0.0315 0.0002 216 SER A N 1355 C CA . SER A 185 ? 0.3639 0.3569 0.1321 0.0034 -0.0291 -0.0013 216 SER A CA 1356 C C . SER A 185 ? 0.3706 0.3578 0.1375 -0.0015 -0.0302 -0.0042 216 SER A C 1357 O O . SER A 185 ? 0.3768 0.3574 0.1443 -0.0054 -0.0252 -0.0047 216 SER A O 1358 C CB . SER A 185 ? 0.3585 0.3632 0.1427 0.0026 -0.0310 -0.0018 216 SER A CB 1359 O OG . SER A 185 ? 0.3446 0.3548 0.1327 0.0030 -0.0390 -0.0014 216 SER A OG 1360 N N . ARG A 186 ? 0.3452 0.3333 0.1083 -0.0020 -0.0363 -0.0061 217 ARG A N 1361 C CA . ARG A 186 ? 0.3659 0.3474 0.1253 -0.0072 -0.0384 -0.0107 217 ARG A CA 1362 C C . ARG A 186 ? 0.3680 0.3334 0.1157 -0.0063 -0.0325 -0.0119 217 ARG A C 1363 O O . ARG A 186 ? 0.3680 0.3241 0.1160 -0.0118 -0.0306 -0.0152 217 ARG A O 1364 C CB . ARG A 186 ? 0.3618 0.3454 0.1125 -0.0074 -0.0462 -0.0126 217 ARG A CB 1365 C CG . ARG A 186 ? 0.4151 0.4121 0.1769 -0.0090 -0.0554 -0.0111 217 ARG A CG 1366 C CD . ARG A 186 ? 0.4622 0.4585 0.2096 -0.0098 -0.0640 -0.0118 217 ARG A CD 1367 N NE . ARG A 186 ? 0.5111 0.5031 0.2430 -0.0049 -0.0604 -0.0084 217 ARG A NE 1368 C CZ . ARG A 186 ? 0.5088 0.4911 0.2223 -0.0047 -0.0561 -0.0119 217 ARG A CZ 1369 N NH1 . ARG A 186 ? 0.4968 0.4703 0.2033 -0.0088 -0.0556 -0.0191 217 ARG A NH1 1370 N NH2 . ARG A 186 ? 0.4688 0.4497 0.1722 -0.0008 -0.0514 -0.0090 217 ARG A NH2 1371 N N . HIS A 187 ? 0.3646 0.3263 0.1035 0.0007 -0.0299 -0.0096 218 HIS A N 1372 C CA . HIS A 187 ? 0.3767 0.3238 0.1081 0.0039 -0.0248 -0.0095 218 HIS A CA 1373 C C . HIS A 187 ? 0.3758 0.3170 0.1097 0.0026 -0.0205 -0.0052 218 HIS A C 1374 O O . HIS A 187 ? 0.4012 0.3268 0.1304 0.0014 -0.0168 -0.0048 218 HIS A O 1375 C CB . HIS A 187 ? 0.3611 0.3102 0.0885 0.0126 -0.0237 -0.0072 218 HIS A CB 1376 C CG . HIS A 187 ? 0.3663 0.3023 0.0895 0.0183 -0.0199 -0.0059 218 HIS A CG 1377 N ND1 . HIS A 187 ? 0.3668 0.2993 0.0900 0.0218 -0.0191 0.0003 218 HIS A ND1 1378 C CD2 . HIS A 187 ? 0.3530 0.2770 0.0715 0.0215 -0.0170 -0.0099 218 HIS A CD2 1379 C CE1 . HIS A 187 ? 0.3595 0.2787 0.0791 0.0278 -0.0172 0.0013 218 HIS A CE1 1380 N NE2 . HIS A 187 ? 0.3991 0.3130 0.1175 0.0280 -0.0152 -0.0053 218 HIS A NE2 1381 N N . LEU A 188 ? 0.3589 0.3101 0.0982 0.0027 -0.0202 -0.0017 219 LEU A N 1382 C CA . LEU A 188 ? 0.3530 0.2959 0.0885 0.0016 -0.0145 0.0029 219 LEU A CA 1383 C C . LEU A 188 ? 0.4027 0.3427 0.1455 -0.0081 -0.0098 0.0012 219 LEU A C 1384 O O . LEU A 188 ? 0.4476 0.3735 0.1842 -0.0113 -0.0038 0.0043 219 LEU A O 1385 C CB . LEU A 188 ? 0.3225 0.2752 0.0589 0.0041 -0.0143 0.0055 219 LEU A CB 1386 C CG . LEU A 188 ? 0.3359 0.2793 0.0626 0.0027 -0.0081 0.0104 219 LEU A CG 1387 C CD1 . LEU A 188 ? 0.3522 0.2793 0.0647 0.0075 -0.0085 0.0157 219 LEU A CD1 1388 C CD2 . LEU A 188 ? 0.3273 0.2810 0.0538 0.0054 -0.0092 0.0106 219 LEU A CD2 1389 N N . ALA A 189 ? 0.4017 0.3557 0.1591 -0.0129 -0.0127 -0.0032 220 ALA A N 1390 C CA . ALA A 189 ? 0.4072 0.3633 0.1776 -0.0224 -0.0092 -0.0060 220 ALA A CA 1391 C C . ALA A 189 ? 0.4198 0.3586 0.1843 -0.0274 -0.0082 -0.0084 220 ALA A C 1392 O O . ALA A 189 ? 0.4482 0.3770 0.2141 -0.0343 -0.0009 -0.0073 220 ALA A O 1393 C CB . ALA A 189 ? 0.3963 0.3711 0.1849 -0.0249 -0.0164 -0.0106 220 ALA A CB 1394 N N . ALA A 190 ? 0.3964 0.3304 0.1533 -0.0242 -0.0143 -0.0119 221 ALA A N 1395 C CA . ALA A 190 ? 0.4251 0.3398 0.1745 -0.0276 -0.0128 -0.0156 221 ALA A CA 1396 C C . ALA A 190 ? 0.4325 0.3255 0.1693 -0.0234 -0.0058 -0.0097 221 ALA A C 1397 O O . ALA A 190 ? 0.4398 0.3148 0.1751 -0.0295 -0.0010 -0.0103 221 ALA A O 1398 C CB . ALA A 190 ? 0.4209 0.3356 0.1629 -0.0250 -0.0201 -0.0226 221 ALA A CB 1399 N N . LYS A 191 ? 0.4303 0.3242 0.1588 -0.0132 -0.0061 -0.0038 222 LYS A N 1400 C CA . LYS A 191 ? 0.4700 0.3449 0.1868 -0.0079 -0.0017 0.0037 222 LYS A CA 1401 C C . LYS A 191 ? 0.4541 0.3217 0.1705 -0.0163 0.0055 0.0085 222 LYS A C 1402 O O . LYS A 191 ? 0.4767 0.3228 0.1875 -0.0200 0.0106 0.0111 222 LYS A O 1403 C CB . LYS A 191 ? 0.4767 0.3583 0.1870 0.0031 -0.0047 0.0098 222 LYS A CB 1404 C CG . LYS A 191 ? 0.5101 0.3725 0.2091 0.0113 -0.0042 0.0170 222 LYS A CG 1405 C CD . LYS A 191 ? 0.5389 0.4087 0.2311 0.0187 -0.0077 0.0244 222 LYS A CD 1406 C CE . LYS A 191 ? 0.6370 0.5031 0.3200 0.0115 -0.0025 0.0303 222 LYS A CE 1407 N NZ . LYS A 191 ? 0.5939 0.4455 0.2589 0.0171 -0.0038 0.0409 222 LYS A NZ 1408 N N . MET A 192 ? 0.4448 0.3299 0.1685 -0.0200 0.0070 0.0089 223 MET A N 1409 C CA . MET A 192 ? 0.4328 0.3136 0.1550 -0.0276 0.0166 0.0137 223 MET A CA 1410 C C . MET A 192 ? 0.4448 0.3191 0.1790 -0.0408 0.0227 0.0097 223 MET A C 1411 O O . MET A 192 ? 0.4686 0.3303 0.1985 -0.0483 0.0329 0.0147 223 MET A O 1412 C CB . MET A 192 ? 0.4017 0.3048 0.1325 -0.0277 0.0173 0.0122 223 MET A CB 1413 C CG . MET A 192 ? 0.4621 0.3682 0.1789 -0.0176 0.0138 0.0169 223 MET A CG 1414 S SD . MET A 192 ? 0.4503 0.3765 0.1737 -0.0185 0.0176 0.0146 223 MET A SD 1415 C CE . MET A 192 ? 0.4312 0.3423 0.1335 -0.0230 0.0298 0.0218 223 MET A CE 1416 N N . ALA A 193 ? 0.4165 0.2986 0.1642 -0.0442 0.0162 0.0007 224 ALA A N 1417 C CA . ALA A 193 ? 0.4262 0.3083 0.1898 -0.0573 0.0186 -0.0056 224 ALA A CA 1418 C C . ALA A 193 ? 0.4541 0.3066 0.2070 -0.0607 0.0221 -0.0050 224 ALA A C 1419 O O . ALA A 193 ? 0.4678 0.3114 0.2301 -0.0735 0.0279 -0.0078 224 ALA A O 1420 C CB . ALA A 193 ? 0.4073 0.3095 0.1863 -0.0588 0.0069 -0.0158 224 ALA A CB 1421 N N . SER A 194 ? 0.4619 0.2989 0.1973 -0.0493 0.0190 -0.0016 225 SER A N 1422 C CA . SER A 194 ? 0.4972 0.3039 0.2232 -0.0502 0.0221 -0.0012 225 SER A CA 1423 C C . SER A 194 ? 0.5207 0.3062 0.2292 -0.0429 0.0273 0.0114 225 SER A C 1424 O O . SER A 194 ? 0.5684 0.3271 0.2678 -0.0393 0.0285 0.0136 225 SER A O 1425 C CB . SER A 194 ? 0.4854 0.2874 0.2083 -0.0439 0.0149 -0.0099 225 SER A CB 1426 O OG . SER A 194 ? 0.5127 0.3324 0.2322 -0.0319 0.0085 -0.0093 225 SER A OG 1427 N N . THR A 195 ? 0.5227 0.3173 0.2257 -0.0415 0.0306 0.0198 226 THR A N 1428 C CA . THR A 195 ? 0.5460 0.3208 0.2287 -0.0346 0.0335 0.0327 226 THR A CA 1429 C C . THR A 195 ? 0.5894 0.3550 0.2671 -0.0464 0.0453 0.0394 226 THR A C 1430 O O . THR A 195 ? 0.5796 0.3662 0.2647 -0.0521 0.0494 0.0376 226 THR A O 1431 C CB . THR A 195 ? 0.5356 0.3273 0.2104 -0.0226 0.0268 0.0368 226 THR A CB 1432 O OG1 . THR A 195 ? 0.4826 0.2842 0.1642 -0.0130 0.0176 0.0301 226 THR A OG1 1433 C CG2 . THR A 195 ? 0.5242 0.2970 0.1759 -0.0147 0.0268 0.0507 226 THR A CG2 1434 N N . PRO A 196 ? 0.6430 0.3764 0.3088 -0.0502 0.0519 0.0473 227 PRO A N 1435 C CA . PRO A 196 ? 0.6824 0.4020 0.3406 -0.0631 0.0658 0.0553 227 PRO A CA 1436 C C . PRO A 196 ? 0.7011 0.4286 0.3410 -0.0596 0.0690 0.0645 227 PRO A C 1437 O O . PRO A 196 ? 0.6960 0.4246 0.3210 -0.0457 0.0595 0.0697 227 PRO A O 1438 C CB . PRO A 196 ? 0.7222 0.4007 0.3651 -0.0622 0.0686 0.0646 227 PRO A CB 1439 C CG . PRO A 196 ? 0.7135 0.3894 0.3701 -0.0565 0.0594 0.0533 227 PRO A CG 1440 C CD . PRO A 196 ? 0.6731 0.3796 0.3339 -0.0433 0.0477 0.0480 227 PRO A CD 1441 N N . HIS A 197 ? 0.7202 0.4550 0.3630 -0.0727 0.0825 0.0650 228 HIS A N 1442 C CA . HIS A 197 ? 0.7409 0.4838 0.3659 -0.0718 0.0883 0.0711 228 HIS A CA 1443 C C . HIS A 197 ? 0.7764 0.5133 0.4010 -0.0889 0.1083 0.0741 228 HIS A C 1444 O O . HIS A 197 ? 0.7597 0.5091 0.4138 -0.1011 0.1151 0.0647 228 HIS A O 1445 C CB . HIS A 197 ? 0.7074 0.4866 0.3469 -0.0659 0.0818 0.0609 228 HIS A CB 1446 C CG . HIS A 197 ? 0.7363 0.5196 0.3524 -0.0625 0.0855 0.0665 228 HIS A CG 1447 N ND1 . HIS A 197 ? 0.7828 0.5527 0.3693 -0.0509 0.0763 0.0761 228 HIS A ND1 1448 C CD2 . HIS A 197 ? 0.7250 0.5213 0.3408 -0.0700 0.0984 0.0639 228 HIS A CD2 1449 C CE1 . HIS A 197 ? 0.7167 0.4915 0.2837 -0.0518 0.0819 0.0785 228 HIS A CE1 1450 N NE2 . HIS A 197 ? 0.7521 0.5421 0.3358 -0.0631 0.0964 0.0709 228 HIS A NE2 1451 N N . PRO A 198 ? 0.8149 0.5329 0.4060 -0.0901 0.1175 0.0871 229 PRO A N 1452 C CA . PRO A 198 ? 0.8526 0.5506 0.4066 -0.0766 0.1075 0.1003 229 PRO A CA 1453 C C . PRO A 198 ? 0.8913 0.5605 0.4388 -0.0685 0.0970 0.1079 229 PRO A C 1454 O O . PRO A 198 ? 0.8930 0.5493 0.4572 -0.0766 0.1019 0.1050 229 PRO A O 1455 C CB . PRO A 198 ? 0.8897 0.5673 0.4100 -0.0858 0.1239 0.1130 229 PRO A CB 1456 C CG . PRO A 198 ? 0.8750 0.5779 0.4174 -0.0996 0.1408 0.1021 229 PRO A CG 1457 C CD . PRO A 198 ? 0.8314 0.5546 0.4205 -0.1044 0.1380 0.0877 229 PRO A CD 1458 N N . PRO A 199 ? 0.9240 0.5830 0.4490 -0.0525 0.0826 0.1169 230 PRO A N 1459 C CA . PRO A 199 ? 0.9418 0.5750 0.4656 -0.0427 0.0727 0.1230 230 PRO A CA 1460 C C . PRO A 199 ? 0.9820 0.5761 0.4942 -0.0526 0.0844 0.1339 230 PRO A C 1461 O O . PRO A 199 ? 1.0047 0.5797 0.4892 -0.0606 0.0956 0.1468 230 PRO A O 1462 C CB . PRO A 199 ? 0.9587 0.5889 0.4584 -0.0255 0.0573 0.1330 230 PRO A CB 1463 C CG . PRO A 199 ? 0.9218 0.5912 0.4306 -0.0236 0.0530 0.1216 230 PRO A CG 1464 C CD . PRO A 199 ? 0.9225 0.5984 0.4310 -0.0415 0.0723 0.1181 230 PRO A CD 1465 N N . GLY A 200 ? 0.9696 0.5515 0.5026 -0.0530 0.0828 0.1279 231 GLY A N 1466 C CA . GLY A 200 ? 1.0170 0.5619 0.5459 -0.0641 0.0942 0.1351 231 GLY A CA 1467 C C . GLY A 200 ? 1.0192 0.5710 0.5616 -0.0865 0.1128 0.1291 231 GLY A C 1468 O O . GLY A 200 ? 1.0802 0.6024 0.6086 -0.0988 0.1269 0.1400 231 GLY A O 1469 N N . ALA A 201 ? 0.9833 0.5745 0.5539 -0.0921 0.1132 0.1125 232 ALA A N 1470 C CA . ALA A 201 ? 0.9790 0.5808 0.5734 -0.1129 0.1288 0.1039 232 ALA A CA 1471 C C . ALA A 201 ? 0.9553 0.5667 0.5844 -0.1174 0.1227 0.0871 232 ALA A C 1472 O O . ALA A 201 ? 0.9207 0.5388 0.5563 -0.1042 0.1074 0.0799 232 ALA A O 1473 C CB . ALA A 201 ? 0.9584 0.5963 0.5600 -0.1182 0.1362 0.0983 232 ALA A CB 1474 N N . ARG A 202 ? 0.9714 0.5819 0.6213 -0.1372 0.1356 0.0813 233 ARG A N 1475 C CA . ARG A 202 ? 0.9608 0.5777 0.6424 -0.1461 0.1313 0.0652 233 ARG A CA 1476 C C . ARG A 202 ? 0.9174 0.5789 0.6344 -0.1567 0.1325 0.0500 233 ARG A C 1477 O O . ARG A 202 ? 0.9223 0.5962 0.6474 -0.1689 0.1471 0.0522 233 ARG A O 1478 C CB . ARG A 202 ? 1.0120 0.5898 0.6937 -0.1618 0.1430 0.0693 233 ARG A CB 1479 C CG . ARG A 202 ? 1.0829 0.6422 0.7502 -0.1764 0.1644 0.0840 233 ARG A CG 1480 C CD . ARG A 202 ? 1.1551 0.7056 0.8482 -0.2018 0.1793 0.0779 233 ARG A CD 1481 N NE . ARG A 202 ? 1.1986 0.7320 0.9079 -0.2051 0.1704 0.0664 233 ARG A NE 1482 C CZ . ARG A 202 ? 1.2522 0.7384 0.9495 -0.2103 0.1756 0.0734 233 ARG A CZ 1483 N NH1 . ARG A 202 ? 1.2960 0.7454 0.9636 -0.2128 0.1893 0.0940 233 ARG A NH1 1484 N NH2 . ARG A 202 ? 1.2681 0.7421 0.9812 -0.2129 0.1671 0.0597 233 ARG A NH2 1485 N N . GLY A 203 ? 0.8730 0.5575 0.6107 -0.1517 0.1173 0.0350 234 GLY A N 1486 C CA . GLY A 203 ? 0.8292 0.5533 0.6025 -0.1611 0.1149 0.0206 234 GLY A CA 1487 C C . GLY A 203 ? 0.7870 0.5481 0.5650 -0.1495 0.1080 0.0182 234 GLY A C 1488 O O . GLY A 203 ? 0.7625 0.5543 0.5663 -0.1499 0.0977 0.0056 234 GLY A O 1489 N N . THR A 204 ? 0.7720 0.5285 0.5240 -0.1390 0.1124 0.0301 235 THR A N 1490 C CA . THR A 204 ? 0.7278 0.5152 0.4815 -0.1294 0.1091 0.0288 235 THR A CA 1491 C C . THR A 204 ? 0.6982 0.4840 0.4288 -0.1093 0.0949 0.0326 235 THR A C 1492 O O . THR A 204 ? 0.7224 0.4813 0.4243 -0.1015 0.0941 0.0435 235 THR A O 1493 C CB . THR A 204 ? 0.7421 0.5303 0.4863 -0.1360 0.1276 0.0370 235 THR A CB 1494 O OG1 . THR A 204 ? 0.7874 0.5391 0.4932 -0.1330 0.1337 0.0523 235 THR A OG1 1495 C CG2 . THR A 204 ? 0.7499 0.5473 0.5237 -0.1562 0.1433 0.0316 235 THR A CG2 1496 N N . SER A 205 ? 0.6471 0.4626 0.3919 -0.1013 0.0837 0.0242 236 SER A N 1497 C CA . SER A 205 ? 0.6145 0.4315 0.3443 -0.0843 0.0698 0.0254 236 SER A CA 1498 C C . SER A 205 ? 0.6038 0.4362 0.3238 -0.0767 0.0710 0.0292 236 SER A C 1499 O O . SER A 205 ? 0.5919 0.4334 0.3158 -0.0839 0.0831 0.0301 236 SER A O 1500 C CB . SER A 205 ? 0.5911 0.4278 0.3411 -0.0812 0.0560 0.0132 236 SER A CB 1501 O OG . SER A 205 ? 0.5534 0.4216 0.3242 -0.0830 0.0553 0.0073 236 SER A OG 1502 N N . GLN A 206 ? 0.5969 0.4329 0.3051 -0.0624 0.0593 0.0304 237 GLN A N 1503 C CA . GLN A 206 ? 0.5789 0.4301 0.2790 -0.0554 0.0586 0.0320 237 GLN A CA 1504 C C . GLN A 206 ? 0.5632 0.4459 0.2897 -0.0582 0.0591 0.0222 237 GLN A C 1505 O O . GLN A 206 ? 0.5591 0.4512 0.2820 -0.0580 0.0658 0.0227 237 GLN A O 1506 C CB . GLN A 206 ? 0.5890 0.4378 0.2747 -0.0409 0.0457 0.0349 237 GLN A CB 1507 C CG . GLN A 206 ? 0.5844 0.4088 0.2407 -0.0348 0.0454 0.0469 237 GLN A CG 1508 C CD . GLN A 206 ? 0.6385 0.4653 0.2898 -0.0204 0.0313 0.0476 237 GLN A CD 1509 O OE1 . GLN A 206 ? 0.5500 0.3917 0.2186 -0.0166 0.0239 0.0392 237 GLN A OE1 1510 N NE2 . GLN A 206 ? 0.6071 0.4186 0.2351 -0.0125 0.0274 0.0578 237 GLN A NE2 1511 N N . LEU A 207 ? 0.5392 0.4372 0.2905 -0.0600 0.0514 0.0134 238 LEU A N 1512 C CA . LEU A 207 ? 0.5255 0.4520 0.3045 -0.0628 0.0517 0.0055 238 LEU A CA 1513 C C . LEU A 207 ? 0.5422 0.4726 0.3324 -0.0740 0.0681 0.0053 238 LEU A C 1514 O O . LEU A 207 ? 0.5469 0.4932 0.3459 -0.0731 0.0743 0.0028 238 LEU A O 1515 C CB . LEU A 207 ? 0.5160 0.4561 0.3202 -0.0664 0.0416 -0.0029 238 LEU A CB 1516 C CG . LEU A 207 ? 0.4914 0.4348 0.2946 -0.0592 0.0257 -0.0067 238 LEU A CG 1517 C CD1 . LEU A 207 ? 0.5643 0.5197 0.3923 -0.0682 0.0203 -0.0148 238 LEU A CD1 1518 C CD2 . LEU A 207 ? 0.4993 0.4592 0.3038 -0.0488 0.0180 -0.0072 238 LEU A CD2 1519 N N . HIS A 208 ? 0.5738 0.4899 0.3663 -0.0853 0.0758 0.0068 239 HIS A N 1520 C CA . HIS A 208 ? 0.6016 0.5207 0.4065 -0.0980 0.0933 0.0067 239 HIS A CA 1521 C C . HIS A 208 ? 0.6109 0.5238 0.3932 -0.0969 0.1078 0.0130 239 HIS A C 1522 O O . HIS A 208 ? 0.6293 0.5536 0.4261 -0.1053 0.1235 0.0103 239 HIS A O 1523 C CB . HIS A 208 ? 0.6365 0.5354 0.4434 -0.1113 0.0999 0.0087 239 HIS A CB 1524 C CG . HIS A 208 ? 0.6742 0.5898 0.5149 -0.1265 0.1122 0.0025 239 HIS A CG 1525 N ND1 . HIS A 208 ? 0.7605 0.6717 0.5984 -0.1364 0.1337 0.0068 239 HIS A ND1 1526 C CD2 . HIS A 208 ? 0.7007 0.6401 0.5806 -0.1335 0.1060 -0.0081 239 HIS A CD2 1527 C CE1 . HIS A 208 ? 0.7687 0.7014 0.6461 -0.1490 0.1415 -0.0013 239 HIS A CE1 1528 N NE2 . HIS A 208 ? 0.7340 0.6848 0.6385 -0.1473 0.1237 -0.0104 239 HIS A NE2 1529 N N . GLY A 209 ? 0.6049 0.5020 0.3529 -0.0865 0.1027 0.0205 240 GLY A N 1530 C CA . GLY A 209 ? 0.6035 0.4945 0.3258 -0.0858 0.1152 0.0256 240 GLY A CA 1531 C C . GLY A 209 ? 0.5707 0.4850 0.3012 -0.0768 0.1105 0.0183 240 GLY A C 1532 O O . GLY A 209 ? 0.5548 0.4667 0.2641 -0.0747 0.1186 0.0196 240 GLY A O 1533 N N . MET A 210 ? 0.5098 0.4445 0.2691 -0.0718 0.0975 0.0104 241 MET A N 1534 C CA . MET A 210 ? 0.5127 0.4690 0.2853 -0.0636 0.0928 0.0033 241 MET A CA 1535 C C . MET A 210 ? 0.4941 0.4708 0.2954 -0.0696 0.1074 -0.0045 241 MET A C 1536 O O . MET A 210 ? 0.4657 0.4617 0.3034 -0.0721 0.1035 -0.0107 241 MET A O 1537 C CB . MET A 210 ? 0.4936 0.4626 0.2844 -0.0558 0.0734 -0.0007 241 MET A CB 1538 C CG . MET A 210 ? 0.5229 0.4790 0.2877 -0.0460 0.0604 0.0044 241 MET A CG 1539 S SD . MET A 210 ? 0.5644 0.5333 0.3453 -0.0380 0.0416 0.0003 241 MET A SD 1540 C CE . MET A 210 ? 0.5205 0.5016 0.3007 -0.0292 0.0392 -0.0025 241 MET A CE 1541 N N . ASP A 211 ? 0.5183 0.4911 0.3036 -0.0720 0.1239 -0.0046 242 ASP A N 1542 C CA . ASP A 211 ? 0.5246 0.5173 0.3384 -0.0770 0.1407 -0.0132 242 ASP A CA 1543 C C . ASP A 211 ? 0.5020 0.5215 0.3550 -0.0692 0.1308 -0.0225 242 ASP A C 1544 O O . ASP A 211 ? 0.5048 0.5453 0.3984 -0.0737 0.1358 -0.0288 242 ASP A O 1545 C CB . ASP A 211 ? 0.5503 0.5350 0.3360 -0.0770 0.1571 -0.0142 242 ASP A CB 1546 C CG . ASP A 211 ? 0.6040 0.5787 0.3787 -0.0902 0.1807 -0.0111 242 ASP A CG 1547 O OD1 . ASP A 211 ? 0.6560 0.6223 0.4352 -0.0995 0.1832 -0.0052 242 ASP A OD1 1548 O OD2 . ASP A 211 ? 0.6828 0.6563 0.4424 -0.0920 0.1982 -0.0149 242 ASP A OD2 1549 N N . LEU A 212 ? 0.4784 0.4966 0.3192 -0.0577 0.1166 -0.0228 243 LEU A N 1550 C CA . LEU A 212 ? 0.4454 0.4829 0.3136 -0.0483 0.1081 -0.0300 243 LEU A CA 1551 C C . LEU A 212 ? 0.4296 0.4581 0.2759 -0.0382 0.0902 -0.0266 243 LEU A C 1552 O O . LEU A 212 ? 0.4325 0.4456 0.2447 -0.0359 0.0912 -0.0238 243 LEU A O 1553 C CB . LEU A 212 ? 0.4509 0.4974 0.3285 -0.0472 0.1256 -0.0385 243 LEU A CB 1554 C CG . LEU A 212 ? 0.4100 0.4724 0.3145 -0.0367 0.1196 -0.0462 243 LEU A CG 1555 C CD1 . LEU A 212 ? 0.3624 0.4495 0.3179 -0.0357 0.1137 -0.0499 243 LEU A CD1 1556 C CD2 . LEU A 212 ? 0.4194 0.4821 0.3198 -0.0359 0.1393 -0.0548 243 LEU A CD2 1557 N N . LEU A 213 ? 0.3994 0.4380 0.2655 -0.0327 0.0737 -0.0269 244 LEU A N 1558 C CA . LEU A 213 ? 0.3923 0.4251 0.2429 -0.0239 0.0595 -0.0246 244 LEU A CA 1559 C C . LEU A 213 ? 0.3762 0.4204 0.2455 -0.0163 0.0583 -0.0308 244 LEU A C 1560 O O . LEU A 213 ? 0.3977 0.4580 0.3006 -0.0140 0.0547 -0.0340 244 LEU A O 1561 C CB . LEU A 213 ? 0.3462 0.3784 0.1989 -0.0225 0.0428 -0.0202 244 LEU A CB 1562 C CG . LEU A 213 ? 0.3524 0.3816 0.1949 -0.0141 0.0288 -0.0180 244 LEU A CG 1563 C CD1 . LEU A 213 ? 0.3555 0.3686 0.1645 -0.0119 0.0281 -0.0139 244 LEU A CD1 1564 C CD2 . LEU A 213 ? 0.3007 0.3335 0.1517 -0.0139 0.0146 -0.0155 244 LEU A CD2 1565 N N . VAL A 214 ? 0.3626 0.3973 0.2102 -0.0121 0.0593 -0.0320 245 VAL A N 1566 C CA . VAL A 214 ? 0.3599 0.4001 0.2205 -0.0055 0.0604 -0.0386 245 VAL A CA 1567 C C . VAL A 214 ? 0.3549 0.3890 0.2044 0.0003 0.0450 -0.0350 245 VAL A C 1568 O O . VAL A 214 ? 0.3905 0.4131 0.2126 0.0003 0.0434 -0.0337 245 VAL A O 1569 C CB . VAL A 214 ? 0.3822 0.4141 0.2228 -0.0073 0.0764 -0.0452 245 VAL A CB 1570 C CG1 . VAL A 214 ? 0.3909 0.4270 0.2479 -0.0006 0.0789 -0.0540 245 VAL A CG1 1571 C CG2 . VAL A 214 ? 0.3583 0.3931 0.2021 -0.0151 0.0953 -0.0478 245 VAL A CG2 1572 N N . LEU A 215 ? 0.3509 0.3931 0.2216 0.0047 0.0331 -0.0328 246 LEU A N 1573 C CA . LEU A 215 ? 0.3353 0.3722 0.1971 0.0090 0.0195 -0.0283 246 LEU A CA 1574 C C . LEU A 215 ? 0.3448 0.3808 0.2163 0.0149 0.0196 -0.0329 246 LEU A C 1575 O O . LEU A 215 ? 0.3547 0.3994 0.2544 0.0192 0.0189 -0.0350 246 LEU A O 1576 C CB . LEU A 215 ? 0.3001 0.3448 0.1770 0.0095 0.0074 -0.0230 246 LEU A CB 1577 C CG . LEU A 215 ? 0.3243 0.3642 0.1928 0.0133 -0.0058 -0.0176 246 LEU A CG 1578 C CD1 . LEU A 215 ? 0.3607 0.3893 0.1998 0.0115 -0.0065 -0.0149 246 LEU A CD1 1579 C CD2 . LEU A 215 ? 0.3337 0.3802 0.2126 0.0129 -0.0167 -0.0133 246 LEU A CD2 1580 N N . LEU A 216 ? 0.3329 0.3582 0.1833 0.0152 0.0200 -0.0349 247 LEU A N 1581 C CA . LEU A 216 ? 0.3462 0.3674 0.2044 0.0199 0.0179 -0.0387 247 LEU A CA 1582 C C . LEU A 216 ? 0.3419 0.3614 0.2023 0.0225 0.0040 -0.0311 247 LEU A C 1583 O O . LEU A 216 ? 0.3615 0.3782 0.2048 0.0201 -0.0021 -0.0259 247 LEU A O 1584 C CB . LEU A 216 ? 0.3405 0.3512 0.1750 0.0175 0.0227 -0.0448 247 LEU A CB 1585 C CG . LEU A 216 ? 0.3861 0.3952 0.2126 0.0147 0.0380 -0.0534 247 LEU A CG 1586 C CD1 . LEU A 216 ? 0.3964 0.4084 0.2117 0.0096 0.0433 -0.0491 247 LEU A CD1 1587 C CD2 . LEU A 216 ? 0.4573 0.4551 0.2577 0.0123 0.0394 -0.0597 247 LEU A CD2 1588 N N . ASP A 217 ? 0.3568 0.3772 0.2378 0.0276 -0.0004 -0.0300 248 ASP A N 1589 C CA . ASP A 217 ? 0.3667 0.3829 0.2458 0.0293 -0.0126 -0.0215 248 ASP A CA 1590 C C . ASP A 217 ? 0.3683 0.3783 0.2651 0.0349 -0.0141 -0.0222 248 ASP A C 1591 O O . ASP A 217 ? 0.3896 0.4030 0.3075 0.0393 -0.0091 -0.0272 248 ASP A O 1592 C CB . ASP A 217 ? 0.3238 0.3474 0.2055 0.0289 -0.0211 -0.0137 248 ASP A CB 1593 C CG . ASP A 217 ? 0.3712 0.3894 0.2419 0.0287 -0.0310 -0.0054 248 ASP A CG 1594 O OD1 . ASP A 217 ? 0.4051 0.4150 0.2651 0.0275 -0.0306 -0.0051 248 ASP A OD1 1595 O OD2 . ASP A 217 ? 0.3453 0.3677 0.2174 0.0290 -0.0390 0.0007 248 ASP A OD2 1596 N N . LEU A 218 ? 0.3732 0.3730 0.2617 0.0342 -0.0193 -0.0183 249 LEU A N 1597 C CA . LEU A 218 ? 0.3543 0.3439 0.2569 0.0388 -0.0213 -0.0172 249 LEU A CA 1598 C C . LEU A 218 ? 0.3378 0.3222 0.2509 0.0411 -0.0109 -0.0293 249 LEU A C 1599 O O . LEU A 218 ? 0.3393 0.3213 0.2743 0.0477 -0.0101 -0.0303 249 LEU A O 1600 C CB . LEU A 218 ? 0.3506 0.3438 0.2715 0.0451 -0.0304 -0.0081 249 LEU A CB 1601 C CG . LEU A 218 ? 0.3681 0.3671 0.2755 0.0422 -0.0400 0.0019 249 LEU A CG 1602 C CD1 . LEU A 218 ? 0.3271 0.3279 0.2495 0.0484 -0.0516 0.0115 249 LEU A CD1 1603 C CD2 . LEU A 218 ? 0.2942 0.2838 0.1803 0.0370 -0.0414 0.0063 249 LEU A CD2 1604 N N . ILE A 219 ? 0.3518 0.3345 0.2486 0.0360 -0.0030 -0.0386 250 ILE A N 1605 C CA . ILE A 219 ? 0.3574 0.3336 0.2592 0.0372 0.0079 -0.0516 250 ILE A CA 1606 C C . ILE A 219 ? 0.3883 0.3490 0.2808 0.0337 0.0068 -0.0562 250 ILE A C 1607 O O . ILE A 219 ? 0.3751 0.3345 0.2505 0.0277 0.0008 -0.0524 250 ILE A O 1608 C CB . ILE A 219 ? 0.3705 0.3534 0.2568 0.0330 0.0178 -0.0597 250 ILE A CB 1609 C CG1 . ILE A 219 ? 0.4080 0.4061 0.3073 0.0350 0.0195 -0.0551 250 ILE A CG1 1610 C CG2 . ILE A 219 ? 0.3507 0.3246 0.2351 0.0329 0.0307 -0.0752 250 ILE A CG2 1611 C CD1 . ILE A 219 ? 0.3980 0.4013 0.2851 0.0307 0.0320 -0.0622 250 ILE A CD1 1612 N N . GLY A 220 ? 0.4215 0.3707 0.3277 0.0373 0.0130 -0.0649 251 GLY A N 1613 C CA . GLY A 220 ? 0.4449 0.3777 0.3429 0.0326 0.0135 -0.0724 251 GLY A CA 1614 C C . GLY A 220 ? 0.4548 0.3710 0.3742 0.0379 0.0134 -0.0725 251 GLY A C 1615 O O . GLY A 220 ? 0.4794 0.3796 0.3962 0.0343 0.0166 -0.0820 251 GLY A O 1616 N N . ALA A 221 ? 0.4554 0.3745 0.3957 0.0462 0.0086 -0.0615 252 ALA A N 1617 C CA . ALA A 221 ? 0.4718 0.3748 0.4344 0.0535 0.0070 -0.0583 252 ALA A CA 1618 C C . ALA A 221 ? 0.4881 0.3872 0.4707 0.0612 0.0189 -0.0726 252 ALA A C 1619 O O . ALA A 221 ? 0.4870 0.4017 0.4713 0.0627 0.0267 -0.0797 252 ALA A O 1620 C CB . ALA A 221 ? 0.4509 0.3596 0.4261 0.0602 -0.0046 -0.0402 252 ALA A CB 1621 N N . PRO A 222 ? 0.5103 0.3876 0.5084 0.0659 0.0217 -0.0771 253 PRO A N 1622 C CA . PRO A 222 ? 0.5184 0.3893 0.5395 0.0748 0.0338 -0.0912 253 PRO A CA 1623 C C . PRO A 222 ? 0.5028 0.3902 0.5540 0.0873 0.0319 -0.0841 253 PRO A C 1624 O O . PRO A 222 ? 0.4903 0.3828 0.5493 0.0912 0.0183 -0.0668 253 PRO A O 1625 C CB . PRO A 222 ? 0.5429 0.3847 0.5751 0.0775 0.0323 -0.0913 253 PRO A CB 1626 C CG . PRO A 222 ? 0.5448 0.3829 0.5691 0.0741 0.0166 -0.0697 253 PRO A CG 1627 C CD . PRO A 222 ? 0.5179 0.3741 0.5131 0.0625 0.0140 -0.0684 253 PRO A CD 1628 N N . ASN A 223 ? 0.5049 0.4012 0.5725 0.0927 0.0457 -0.0981 254 ASN A N 1629 C CA . ASN A 223 ? 0.5158 0.4276 0.6223 0.1060 0.0464 -0.0953 254 ASN A CA 1630 C C . ASN A 223 ? 0.4942 0.4307 0.6034 0.1057 0.0340 -0.0801 254 ASN A C 1631 O O . ASN A 223 ? 0.4815 0.4230 0.6173 0.1157 0.0219 -0.0677 254 ASN A O 1632 C CB . ASN A 223 ? 0.5320 0.4262 0.6722 0.1200 0.0411 -0.0905 254 ASN A CB 1633 C CG . ASN A 223 ? 0.5750 0.4410 0.7161 0.1211 0.0536 -0.1066 254 ASN A CG 1634 O OD1 . ASN A 223 ? 0.6056 0.4722 0.7533 0.1227 0.0717 -0.1263 254 ASN A OD1 1635 N ND2 . ASN A 223 ? 0.5713 0.4111 0.7059 0.1199 0.0447 -0.0985 254 ASN A ND2 1636 N N . PRO A 224 ? 0.4799 0.4304 0.5609 0.0943 0.0361 -0.0808 255 PRO A N 1637 C CA . PRO A 224 ? 0.4564 0.4295 0.5383 0.0925 0.0265 -0.0691 255 PRO A CA 1638 C C . PRO A 224 ? 0.4547 0.4500 0.5721 0.0998 0.0336 -0.0743 255 PRO A C 1639 O O . PRO A 224 ? 0.4691 0.4660 0.5971 0.1014 0.0517 -0.0900 255 PRO A O 1640 C CB . PRO A 224 ? 0.4328 0.4096 0.4761 0.0790 0.0306 -0.0720 255 PRO A CB 1641 C CG . PRO A 224 ? 0.4820 0.4490 0.5143 0.0758 0.0477 -0.0895 255 PRO A CG 1642 C CD . PRO A 224 ? 0.4966 0.4422 0.5452 0.0833 0.0486 -0.0943 255 PRO A CD 1643 N N . THR A 225 ? 0.4443 0.4566 0.5805 0.1037 0.0199 -0.0621 256 THR A N 1644 C CA . THR A 225 ? 0.4514 0.4896 0.6229 0.1082 0.0257 -0.0669 256 THR A CA 1645 C C . THR A 225 ? 0.4321 0.4891 0.5919 0.0994 0.0181 -0.0594 256 THR A C 1646 O O . THR A 225 ? 0.4260 0.4846 0.5796 0.0991 -0.0008 -0.0453 256 THR A O 1647 C CB . THR A 225 ? 0.4595 0.5045 0.6782 0.1236 0.0157 -0.0617 256 THR A CB 1648 O OG1 . THR A 225 ? 0.4931 0.5294 0.7026 0.1261 -0.0074 -0.0436 256 THR A OG1 1649 C CG2 . THR A 225 ? 0.4834 0.5133 0.7243 0.1340 0.0285 -0.0733 256 THR A CG2 1650 N N . PHE A 226 ? 0.4329 0.5017 0.5863 0.0914 0.0338 -0.0690 257 PHE A N 1651 C CA . PHE A 226 ? 0.4285 0.5117 0.5680 0.0814 0.0299 -0.0636 257 PHE A CA 1652 C C . PHE A 226 ? 0.4142 0.5246 0.5963 0.0843 0.0305 -0.0652 257 PHE A C 1653 O O . PHE A 226 ? 0.4293 0.5502 0.6332 0.0851 0.0493 -0.0773 257 PHE A O 1654 C CB . PHE A 226 ? 0.4350 0.5131 0.5407 0.0700 0.0470 -0.0720 257 PHE A CB 1655 C CG . PHE A 226 ? 0.4628 0.5184 0.5263 0.0651 0.0453 -0.0710 257 PHE A CG 1656 C CD1 . PHE A 226 ? 0.4688 0.5189 0.5046 0.0596 0.0308 -0.0596 257 PHE A CD1 1657 C CD2 . PHE A 226 ? 0.5110 0.5516 0.5627 0.0654 0.0589 -0.0827 257 PHE A CD2 1658 C CE1 . PHE A 226 ? 0.4554 0.4877 0.4567 0.0550 0.0292 -0.0591 257 PHE A CE1 1659 C CE2 . PHE A 226 ? 0.5360 0.5577 0.5502 0.0598 0.0559 -0.0826 257 PHE A CE2 1660 C CZ . PHE A 226 ? 0.4942 0.5132 0.4854 0.0548 0.0409 -0.0704 257 PHE A CZ 1661 N N . PRO A 227 ? 0.4019 0.5243 0.5956 0.0852 0.0107 -0.0540 258 PRO A N 1662 C CA . PRO A 227 ? 0.3990 0.5499 0.6328 0.0857 0.0083 -0.0552 258 PRO A CA 1663 C C . PRO A 227 ? 0.3912 0.5535 0.6167 0.0725 0.0245 -0.0622 258 PRO A C 1664 O O . PRO A 227 ? 0.3739 0.5215 0.5573 0.0629 0.0325 -0.0627 258 PRO A O 1665 C CB . PRO A 227 ? 0.3991 0.5534 0.6271 0.0853 -0.0184 -0.0409 258 PRO A CB 1666 C CG . PRO A 227 ? 0.3988 0.5279 0.5999 0.0904 -0.0288 -0.0323 258 PRO A CG 1667 C CD . PRO A 227 ? 0.3865 0.4967 0.5543 0.0846 -0.0106 -0.0399 258 PRO A CD 1668 N N . ASN A 228 ? 0.3934 0.5822 0.6607 0.0720 0.0283 -0.0667 259 ASN A N 1669 C CA . ASN A 228 ? 0.3940 0.5936 0.6554 0.0582 0.0402 -0.0705 259 ASN A CA 1670 C C . ASN A 228 ? 0.3797 0.5909 0.6451 0.0532 0.0182 -0.0613 259 ASN A C 1671 O O . ASN A 228 ? 0.3823 0.6170 0.6918 0.0576 0.0069 -0.0608 259 ASN A O 1672 C CB . ASN A 228 ? 0.4005 0.6220 0.7044 0.0579 0.0619 -0.0827 259 ASN A CB 1673 C CG . ASN A 228 ? 0.4263 0.6546 0.7191 0.0420 0.0775 -0.0861 259 ASN A CG 1674 O OD1 . ASN A 228 ? 0.4901 0.7372 0.8158 0.0388 0.0964 -0.0952 259 ASN A OD1 1675 N ND2 . ASN A 228 ? 0.4232 0.6351 0.6702 0.0319 0.0711 -0.0788 259 ASN A ND2 1676 N N . PHE A 229 ? 0.3578 0.5524 0.5772 0.0441 0.0124 -0.0550 260 PHE A N 1677 C CA . PHE A 229 ? 0.3451 0.5427 0.5557 0.0398 -0.0097 -0.0462 260 PHE A CA 1678 C C . PHE A 229 ? 0.3363 0.5524 0.5643 0.0282 -0.0082 -0.0494 260 PHE A C 1679 O O . PHE A 229 ? 0.3342 0.5641 0.5796 0.0274 -0.0276 -0.0457 260 PHE A O 1680 C CB . PHE A 229 ? 0.3327 0.5039 0.4877 0.0356 -0.0151 -0.0392 260 PHE A CB 1681 C CG . PHE A 229 ? 0.3259 0.4801 0.4651 0.0456 -0.0247 -0.0330 260 PHE A CG 1682 C CD1 . PHE A 229 ? 0.3253 0.4611 0.4413 0.0475 -0.0115 -0.0361 260 PHE A CD1 1683 C CD2 . PHE A 229 ? 0.2848 0.4403 0.4304 0.0524 -0.0474 -0.0239 260 PHE A CD2 1684 C CE1 . PHE A 229 ? 0.2944 0.4136 0.3970 0.0552 -0.0199 -0.0306 260 PHE A CE1 1685 C CE2 . PHE A 229 ? 0.2740 0.4113 0.4034 0.0606 -0.0553 -0.0169 260 PHE A CE2 1686 C CZ . PHE A 229 ? 0.2760 0.3956 0.3863 0.0618 -0.0413 -0.0204 260 PHE A CZ 1687 N N . PHE A 230 ? 0.3444 0.5599 0.5661 0.0184 0.0144 -0.0560 261 PHE A N 1688 C CA . PHE A 230 ? 0.3479 0.5732 0.5745 0.0042 0.0166 -0.0575 261 PHE A CA 1689 C C . PHE A 230 ? 0.3646 0.6083 0.6257 -0.0019 0.0390 -0.0667 261 PHE A C 1690 O O . PHE A 230 ? 0.3756 0.6093 0.6222 -0.0031 0.0622 -0.0714 261 PHE A O 1691 C CB . PHE A 230 ? 0.3418 0.5418 0.5148 -0.0055 0.0187 -0.0527 261 PHE A CB 1692 C CG . PHE A 230 ? 0.2998 0.4832 0.4398 -0.0007 -0.0018 -0.0443 261 PHE A CG 1693 C CD1 . PHE A 230 ? 0.2960 0.4882 0.4460 0.0000 -0.0249 -0.0402 261 PHE A CD1 1694 C CD2 . PHE A 230 ? 0.2848 0.4445 0.3839 0.0029 0.0020 -0.0407 261 PHE A CD2 1695 C CE1 . PHE A 230 ? 0.2607 0.4371 0.3783 0.0037 -0.0413 -0.0327 261 PHE A CE1 1696 C CE2 . PHE A 230 ? 0.2707 0.4165 0.3419 0.0067 -0.0148 -0.0333 261 PHE A CE2 1697 C CZ . PHE A 230 ? 0.2672 0.4206 0.3467 0.0073 -0.0350 -0.0292 261 PHE A CZ 1698 N N . PRO A 231 ? 0.3787 0.6503 0.6866 -0.0062 0.0325 -0.0700 262 PRO A N 1699 C CA . PRO A 231 ? 0.3971 0.6882 0.7411 -0.0139 0.0566 -0.0793 262 PRO A CA 1700 C C . PRO A 231 ? 0.4177 0.6879 0.7212 -0.0272 0.0809 -0.0800 262 PRO A C 1701 O O . PRO A 231 ? 0.4254 0.6965 0.7335 -0.0288 0.1068 -0.0864 262 PRO A O 1702 C CB . PRO A 231 ? 0.3878 0.7080 0.7775 -0.0213 0.0422 -0.0811 262 PRO A CB 1703 C CG . PRO A 231 ? 0.3793 0.6999 0.7664 -0.0120 0.0086 -0.0737 262 PRO A CG 1704 C CD . PRO A 231 ? 0.3713 0.6602 0.7056 -0.0026 0.0038 -0.0662 262 PRO A CD 1705 N N . ASN A 232 ? 0.4330 0.6830 0.6955 -0.0362 0.0728 -0.0733 263 ASN A N 1706 C CA . ASN A 232 ? 0.4778 0.7091 0.7069 -0.0495 0.0941 -0.0726 263 ASN A CA 1707 C C . ASN A 232 ? 0.4890 0.6928 0.6686 -0.0450 0.1074 -0.0703 263 ASN A C 1708 O O . ASN A 232 ? 0.5148 0.6980 0.6572 -0.0542 0.1215 -0.0673 263 ASN A O 1709 C CB . ASN A 232 ? 0.4844 0.7049 0.6941 -0.0617 0.0830 -0.0675 263 ASN A CB 1710 C CG . ASN A 232 ? 0.4984 0.6942 0.6618 -0.0560 0.0645 -0.0596 263 ASN A CG 1711 O OD1 . ASN A 232 ? 0.5614 0.7528 0.7142 -0.0430 0.0547 -0.0573 263 ASN A OD1 1712 N ND2 . ASN A 232 ? 0.5464 0.7254 0.6833 -0.0658 0.0602 -0.0556 263 ASN A ND2 1713 N N . SER A 233 ? 0.4735 0.6756 0.6519 -0.0307 0.1005 -0.0711 264 SER A N 1714 C CA . SER A 233 ? 0.4629 0.6455 0.6068 -0.0260 0.1143 -0.0725 264 SER A CA 1715 C C . SER A 233 ? 0.4444 0.6419 0.6226 -0.0161 0.1254 -0.0818 264 SER A C 1716 O O . SER A 233 ? 0.4566 0.6396 0.6111 -0.0109 0.1354 -0.0852 264 SER A O 1717 C CB . SER A 233 ? 0.4571 0.6174 0.5596 -0.0191 0.0961 -0.0649 264 SER A CB 1718 O OG . SER A 233 ? 0.4509 0.6204 0.5748 -0.0084 0.0746 -0.0628 264 SER A OG 1719 N N . ALA A 234 ? 0.4108 0.6372 0.6457 -0.0131 0.1227 -0.0866 265 ALA A N 1720 C CA . ALA A 234 ? 0.4110 0.6513 0.6825 -0.0016 0.1322 -0.0956 265 ALA A CA 1721 C C . ALA A 234 ? 0.4303 0.6639 0.6893 -0.0055 0.1648 -0.1051 265 ALA A C 1722 O O . ALA A 234 ? 0.4487 0.6767 0.7082 0.0048 0.1726 -0.1119 265 ALA A O 1723 C CB . ALA A 234 ? 0.3992 0.6753 0.7398 0.0025 0.1247 -0.0995 265 ALA A CB 1724 N N . ARG A 235 ? 0.4344 0.6665 0.6803 -0.0204 0.1843 -0.1060 266 ARG A N 1725 C CA . ARG A 235 ? 0.4628 0.6875 0.6928 -0.0247 0.2164 -0.1148 266 ARG A CA 1726 C C . ARG A 235 ? 0.4757 0.6667 0.6415 -0.0223 0.2176 -0.1127 266 ARG A C 1727 O O . ARG A 235 ? 0.4850 0.6679 0.6365 -0.0205 0.2387 -0.1221 266 ARG A O 1728 C CB . ARG A 235 ? 0.4806 0.7109 0.7120 -0.0423 0.2390 -0.1153 266 ARG A CB 1729 C CG . ARG A 235 ? 0.4835 0.6900 0.6650 -0.0543 0.2309 -0.1029 266 ARG A CG 1730 C CD . ARG A 235 ? 0.4742 0.6883 0.6679 -0.0720 0.2474 -0.1014 266 ARG A CD 1731 N NE . ARG A 235 ? 0.4371 0.6223 0.5773 -0.0817 0.2413 -0.0895 266 ARG A NE 1732 C CZ . ARG A 235 ? 0.4911 0.6502 0.5801 -0.0899 0.2597 -0.0855 266 ARG A CZ 1733 N NH1 . ARG A 235 ? 0.4939 0.6514 0.5735 -0.0910 0.2869 -0.0932 266 ARG A NH1 1734 N NH2 . ARG A 235 ? 0.5005 0.6342 0.5464 -0.0966 0.2508 -0.0738 266 ARG A NH2 1735 N N . TRP A 236 ? 0.4562 0.6290 0.5852 -0.0224 0.1947 -0.1014 267 TRP A N 1736 C CA . TRP A 236 ? 0.4695 0.6136 0.5430 -0.0194 0.1906 -0.0986 267 TRP A CA 1737 C C . TRP A 236 ? 0.4655 0.6075 0.5486 -0.0046 0.1803 -0.1036 267 TRP A C 1738 O O . TRP A 236 ? 0.4742 0.6014 0.5319 -0.0019 0.1915 -0.1107 267 TRP A O 1739 C CB . TRP A 236 ? 0.4567 0.5828 0.4893 -0.0254 0.1733 -0.0854 267 TRP A CB 1740 C CG . TRP A 236 ? 0.4782 0.5983 0.4923 -0.0401 0.1897 -0.0818 267 TRP A CG 1741 C CD1 . TRP A 236 ? 0.4289 0.5545 0.4544 -0.0493 0.1844 -0.0750 267 TRP A CD1 1742 C CD2 . TRP A 236 ? 0.4589 0.5660 0.4414 -0.0480 0.2157 -0.0853 267 TRP A CD2 1743 N NE1 . TRP A 236 ? 0.4500 0.5657 0.4543 -0.0625 0.2060 -0.0733 267 TRP A NE1 1744 C CE2 . TRP A 236 ? 0.4658 0.5699 0.4418 -0.0618 0.2250 -0.0787 267 TRP A CE2 1745 C CE3 . TRP A 236 ? 0.5153 0.6112 0.4719 -0.0454 0.2318 -0.0935 267 TRP A CE3 1746 C CZ2 . TRP A 236 ? 0.5170 0.6064 0.4597 -0.0728 0.2502 -0.0783 267 TRP A CZ2 1747 C CZ3 . TRP A 236 ? 0.5395 0.6221 0.4618 -0.0565 0.2568 -0.0944 267 TRP A CZ3 1748 C CH2 . TRP A 236 ? 0.5356 0.6149 0.4509 -0.0699 0.2657 -0.0859 267 TRP A CH2 1749 N N . PHE A 237 ? 0.4321 0.5880 0.5514 0.0043 0.1595 -0.1001 268 PHE A N 1750 C CA . PHE A 237 ? 0.4361 0.5926 0.5764 0.0188 0.1516 -0.1047 268 PHE A CA 1751 C C . PHE A 237 ? 0.4575 0.6216 0.6247 0.0244 0.1754 -0.1196 268 PHE A C 1752 O O . PHE A 237 ? 0.4668 0.6173 0.6245 0.0326 0.1776 -0.1259 268 PHE A O 1753 C CB . PHE A 237 ? 0.4080 0.5819 0.5890 0.0265 0.1277 -0.0980 268 PHE A CB 1754 C CG . PHE A 237 ? 0.4079 0.5785 0.6068 0.0414 0.1167 -0.0992 268 PHE A CG 1755 C CD1 . PHE A 237 ? 0.4153 0.5668 0.5850 0.0456 0.0965 -0.0903 268 PHE A CD1 1756 C CD2 . PHE A 237 ? 0.4230 0.6089 0.6698 0.0514 0.1270 -0.1091 268 PHE A CD2 1757 C CE1 . PHE A 237 ? 0.3782 0.5235 0.5633 0.0586 0.0865 -0.0902 268 PHE A CE1 1758 C CE2 . PHE A 237 ? 0.4238 0.6032 0.6876 0.0661 0.1164 -0.1094 268 PHE A CE2 1759 C CZ . PHE A 237 ? 0.4220 0.5797 0.6530 0.0690 0.0958 -0.0992 268 PHE A CZ 1760 N N . GLU A 238 ? 0.4673 0.6537 0.6707 0.0198 0.1929 -0.1257 269 GLU A N 1761 C CA . GLU A 238 ? 0.4998 0.6948 0.7268 0.0222 0.2214 -0.1410 269 GLU A CA 1762 C C . GLU A 238 ? 0.5281 0.6973 0.7012 0.0171 0.2418 -0.1485 269 GLU A C 1763 O O . GLU A 238 ? 0.5443 0.7088 0.7232 0.0243 0.2570 -0.1616 269 GLU A O 1764 C CB . GLU A 238 ? 0.5094 0.7292 0.7699 0.0122 0.2394 -0.1442 269 GLU A CB 1765 C CG . GLU A 238 ? 0.5256 0.7799 0.8618 0.0205 0.2384 -0.1495 269 GLU A CG 1766 C CD . GLU A 238 ? 0.5603 0.8383 0.9249 0.0068 0.2569 -0.1521 269 GLU A CD 1767 O OE1 . GLU A 238 ? 0.6037 0.8849 0.9701 0.0009 0.2896 -0.1632 269 GLU A OE1 1768 O OE2 . GLU A 238 ? 0.5582 0.8502 0.9407 0.0009 0.2392 -0.1432 269 GLU A OE2 1769 N N . ARG A 239 ? 0.5403 0.6926 0.6611 0.0045 0.2423 -0.1406 270 ARG A N 1770 C CA . ARG A 239 ? 0.5616 0.6882 0.6243 -0.0014 0.2573 -0.1454 270 ARG A CA 1771 C C . ARG A 239 ? 0.5600 0.6666 0.5986 0.0081 0.2424 -0.1476 270 ARG A C 1772 O O . ARG A 239 ? 0.5781 0.6704 0.5929 0.0090 0.2577 -0.1595 270 ARG A O 1773 C CB . ARG A 239 ? 0.5656 0.6782 0.5801 -0.0152 0.2557 -0.1334 270 ARG A CB 1774 C CG . ARG A 239 ? 0.5932 0.7184 0.6202 -0.0279 0.2775 -0.1328 270 ARG A CG 1775 C CD . ARG A 239 ? 0.5684 0.6977 0.6010 -0.0306 0.3123 -0.1482 270 ARG A CD 1776 N NE . ARG A 239 ? 0.6038 0.7061 0.5799 -0.0303 0.3195 -0.1542 270 ARG A NE 1777 C CZ . ARG A 239 ? 0.6112 0.7104 0.5845 -0.0275 0.3428 -0.1705 270 ARG A CZ 1778 N NH1 . ARG A 239 ? 0.6232 0.7456 0.6503 -0.0236 0.3631 -0.1828 270 ARG A NH1 1779 N NH2 . ARG A 239 ? 0.6290 0.7019 0.5459 -0.0284 0.3452 -0.1754 270 ARG A NH2 1780 N N . LEU A 240 ? 0.5204 0.6257 0.5646 0.0142 0.2137 -0.1368 271 LEU A N 1781 C CA . LEU A 240 ? 0.5226 0.6108 0.5519 0.0229 0.1994 -0.1384 271 LEU A CA 1782 C C . LEU A 240 ? 0.5382 0.6308 0.6051 0.0346 0.2103 -0.1528 271 LEU A C 1783 O O . LEU A 240 ? 0.5558 0.6300 0.6013 0.0377 0.2158 -0.1627 271 LEU A O 1784 C CB . LEU A 240 ? 0.4809 0.5685 0.5127 0.0268 0.1690 -0.1238 271 LEU A CB 1785 C CG . LEU A 240 ? 0.4717 0.5484 0.4609 0.0178 0.1554 -0.1108 271 LEU A CG 1786 C CD1 . LEU A 240 ? 0.4417 0.5213 0.4415 0.0224 0.1279 -0.0979 271 LEU A CD1 1787 C CD2 . LEU A 240 ? 0.4737 0.5269 0.4086 0.0132 0.1568 -0.1126 271 LEU A CD2 1788 N N . GLN A 241 ? 0.5283 0.6457 0.6526 0.0410 0.2135 -0.1544 272 GLN A N 1789 C CA . GLN A 241 ? 0.5310 0.6562 0.7007 0.0538 0.2239 -0.1673 272 GLN A CA 1790 C C . GLN A 241 ? 0.5610 0.6801 0.7207 0.0515 0.2559 -0.1857 272 GLN A C 1791 O O . GLN A 241 ? 0.5882 0.6961 0.7554 0.0608 0.2630 -0.1981 272 GLN A O 1792 C CB . GLN A 241 ? 0.5173 0.6742 0.7526 0.0602 0.2202 -0.1646 272 GLN A CB 1793 C CG . GLN A 241 ? 0.4855 0.6479 0.7364 0.0657 0.1875 -0.1486 272 GLN A CG 1794 C CD . GLN A 241 ? 0.4780 0.6697 0.7976 0.0760 0.1812 -0.1482 272 GLN A CD 1795 O OE1 . GLN A 241 ? 0.4841 0.6753 0.8288 0.0892 0.1619 -0.1431 272 GLN A OE1 1796 N NE2 . GLN A 241 ? 0.4209 0.6385 0.7717 0.0698 0.1962 -0.1527 272 GLN A NE2 1797 N N . ALA A 242 ? 0.5656 0.6908 0.7080 0.0389 0.2763 -0.1878 273 ALA A N 1798 C CA . ALA A 242 ? 0.5886 0.7063 0.7115 0.0340 0.3089 -0.2045 273 ALA A CA 1799 C C . ALA A 242 ? 0.6124 0.6975 0.6681 0.0292 0.3081 -0.2083 273 ALA A C 1800 O O . ALA A 242 ? 0.6373 0.7102 0.6760 0.0293 0.3300 -0.2253 273 ALA A O 1801 C CB . ALA A 242 ? 0.6020 0.7329 0.7207 0.0204 0.3297 -0.2029 273 ALA A CB 1802 N N . ILE A 243 ? 0.5913 0.6632 0.6096 0.0247 0.2829 -0.1936 274 ILE A N 1803 C CA . ILE A 243 ? 0.6113 0.6549 0.5663 0.0190 0.2787 -0.1956 274 ILE A CA 1804 C C . ILE A 243 ? 0.6108 0.6397 0.5709 0.0294 0.2689 -0.2046 274 ILE A C 1805 O O . ILE A 243 ? 0.6374 0.6487 0.5702 0.0282 0.2831 -0.2204 274 ILE A O 1806 C CB . ILE A 243 ? 0.5975 0.6334 0.5132 0.0108 0.2563 -0.1770 274 ILE A CB 1807 C CG1 . ILE A 243 ? 0.6017 0.6428 0.4974 -0.0016 0.2696 -0.1699 274 ILE A CG1 1808 C CG2 . ILE A 243 ? 0.6239 0.6337 0.4844 0.0078 0.2453 -0.1788 274 ILE A CG2 1809 C CD1 . ILE A 243 ? 0.5180 0.5555 0.3910 -0.0071 0.2462 -0.1503 274 ILE A CD1 1810 N N . GLU A 244 ? 0.5747 0.6092 0.5675 0.0386 0.2452 -0.1947 275 GLU A N 1811 C CA . GLU A 244 ? 0.5755 0.5982 0.5860 0.0496 0.2365 -0.2014 275 GLU A CA 1812 C C . GLU A 244 ? 0.6131 0.6351 0.6462 0.0559 0.2628 -0.2221 275 GLU A C 1813 O O . GLU A 244 ? 0.6493 0.6497 0.6612 0.0570 0.2690 -0.2361 275 GLU A O 1814 C CB . GLU A 244 ? 0.5400 0.5760 0.5975 0.0601 0.2141 -0.1878 275 GLU A CB 1815 C CG . GLU A 244 ? 0.5262 0.5482 0.6035 0.0718 0.2031 -0.1909 275 GLU A CG 1816 C CD . GLU A 244 ? 0.5156 0.5468 0.6233 0.0792 0.1771 -0.1731 275 GLU A CD 1817 O OE1 . GLU A 244 ? 0.4750 0.5262 0.5955 0.0766 0.1698 -0.1615 275 GLU A OE1 1818 O OE2 . GLU A 244 ? 0.5310 0.5480 0.6476 0.0870 0.1637 -0.1704 275 GLU A OE2 1819 N N . HIS A 245 ? 0.6125 0.6584 0.6887 0.0591 0.2794 -0.2253 276 HIS A N 1820 C CA . HIS A 245 ? 0.6400 0.6901 0.7485 0.0668 0.3062 -0.2452 276 HIS A CA 1821 C C . HIS A 245 ? 0.6899 0.7210 0.7499 0.0580 0.3334 -0.2641 276 HIS A C 1822 O O . HIS A 245 ? 0.6987 0.7163 0.7646 0.0649 0.3476 -0.2827 276 HIS A O 1823 C CB . HIS A 245 ? 0.6344 0.7179 0.7997 0.0701 0.3193 -0.2444 276 HIS A CB 1824 C CG . HIS A 245 ? 0.6736 0.7638 0.8738 0.0776 0.3504 -0.2661 276 HIS A CG 1825 N ND1 . HIS A 245 ? 0.6991 0.7965 0.9590 0.0955 0.3489 -0.2729 276 HIS A ND1 1826 C CD2 . HIS A 245 ? 0.7211 0.8099 0.9027 0.0702 0.3845 -0.2828 276 HIS A CD2 1827 C CE1 . HIS A 245 ? 0.7027 0.8044 0.9832 0.0993 0.3812 -0.2939 276 HIS A CE1 1828 N NE2 . HIS A 245 ? 0.7521 0.8487 0.9845 0.0836 0.4041 -0.3006 276 HIS A NE2 1829 N N . GLU A 246 ? 0.7009 0.7296 0.7124 0.0430 0.3405 -0.2592 277 GLU A N 1830 C CA . GLU A 246 ? 0.7550 0.7651 0.7141 0.0336 0.3640 -0.2749 277 GLU A CA 1831 C C . GLU A 246 ? 0.7749 0.7545 0.6791 0.0301 0.3491 -0.2788 277 GLU A C 1832 O O . GLU A 246 ? 0.8151 0.7756 0.6889 0.0278 0.3660 -0.2981 277 GLU A O 1833 C CB . GLU A 246 ? 0.7687 0.7853 0.6945 0.0189 0.3780 -0.2675 277 GLU A CB 1834 C CG . GLU A 246 ? 0.8232 0.8256 0.7048 0.0101 0.4109 -0.2857 277 GLU A CG 1835 C CD . GLU A 246 ? 0.8570 0.8709 0.7848 0.0182 0.4420 -0.3067 277 GLU A CD 1836 O OE1 . GLU A 246 ? 0.8940 0.8954 0.7863 0.0116 0.4712 -0.3239 277 GLU A OE1 1837 O OE2 . GLU A 246 ? 0.8257 0.8608 0.8245 0.0316 0.4372 -0.3060 277 GLU A OE2 1838 N N . LEU A 247 ? 0.7473 0.7224 0.6388 0.0291 0.3180 -0.2617 278 LEU A N 1839 C CA . LEU A 247 ? 0.7715 0.7208 0.6175 0.0254 0.3035 -0.2659 278 LEU A CA 1840 C C . LEU A 247 ? 0.7865 0.7248 0.6636 0.0368 0.3053 -0.2814 278 LEU A C 1841 O O . LEU A 247 ? 0.8217 0.7371 0.6668 0.0339 0.3106 -0.2979 278 LEU A O 1842 C CB . LEU A 247 ? 0.7394 0.6886 0.5711 0.0224 0.2711 -0.2445 278 LEU A CB 1843 C CG . LEU A 247 ? 0.7379 0.6896 0.5264 0.0104 0.2655 -0.2297 278 LEU A CG 1844 C CD1 . LEU A 247 ? 0.6765 0.6312 0.4677 0.0113 0.2346 -0.2103 278 LEU A CD1 1845 C CD2 . LEU A 247 ? 0.7819 0.7133 0.5014 -0.0013 0.2740 -0.2385 278 LEU A CD2 1846 N N . HIS A 248 ? 0.7653 0.7193 0.7056 0.0499 0.3013 -0.2766 279 HIS A N 1847 C CA . HIS A 248 ? 0.7808 0.7239 0.7568 0.0626 0.3031 -0.2893 279 HIS A CA 1848 C C . HIS A 248 ? 0.8337 0.7667 0.8063 0.0641 0.3357 -0.3163 279 HIS A C 1849 O O . HIS A 248 ? 0.8658 0.7736 0.8205 0.0649 0.3384 -0.3323 279 HIS A O 1850 C CB . HIS A 248 ? 0.7426 0.7060 0.7872 0.0771 0.2928 -0.2776 279 HIS A CB 1851 C CG . HIS A 248 ? 0.7594 0.7116 0.8456 0.0921 0.2967 -0.2899 279 HIS A CG 1852 N ND1 . HIS A 248 ? 0.7539 0.6887 0.8480 0.0983 0.2742 -0.2831 279 HIS A ND1 1853 C CD2 . HIS A 248 ? 0.7711 0.7250 0.8930 0.1022 0.3218 -0.3092 279 HIS A CD2 1854 C CE1 . HIS A 248 ? 0.7616 0.6862 0.8943 0.1119 0.2841 -0.2965 279 HIS A CE1 1855 N NE2 . HIS A 248 ? 0.7452 0.6817 0.8964 0.1152 0.3128 -0.3130 279 HIS A NE2 1856 N N . GLU A 249 ? 0.8485 0.8006 0.8376 0.0635 0.3613 -0.3220 280 GLU A N 1857 C CA . GLU A 249 ? 0.9011 0.8474 0.8925 0.0655 0.3962 -0.3480 280 GLU A CA 1858 C C . GLU A 249 ? 0.9429 0.8615 0.8605 0.0523 0.4076 -0.3640 280 GLU A C 1859 O O . GLU A 249 ? 0.9818 0.8861 0.8936 0.0545 0.4315 -0.3882 280 GLU A O 1860 C CB . GLU A 249 ? 0.9064 0.8813 0.9249 0.0641 0.4220 -0.3485 280 GLU A CB 1861 C CG . GLU A 249 ? 0.8808 0.8860 0.9804 0.0783 0.4175 -0.3395 280 GLU A CG 1862 C CD . GLU A 249 ? 0.9107 0.9136 1.0640 0.0957 0.4306 -0.3577 280 GLU A CD 1863 O OE1 . GLU A 249 ? 0.9657 0.9743 1.1335 0.0976 0.4648 -0.3779 280 GLU A OE1 1864 O OE2 . GLU A 249 ? 0.9018 0.8959 1.0824 0.1077 0.4073 -0.3515 280 GLU A OE2 1865 N N . LEU A 250 ? 0.9399 0.8514 0.8010 0.0388 0.3902 -0.3506 281 LEU A N 1866 C CA . LEU A 250 ? 0.9804 0.8686 0.7678 0.0252 0.3986 -0.3631 281 LEU A CA 1867 C C . LEU A 250 ? 0.9907 0.8528 0.7557 0.0250 0.3773 -0.3699 281 LEU A C 1868 O O . LEU A 250 ? 1.0286 0.8691 0.7332 0.0141 0.3779 -0.3814 281 LEU A O 1869 C CB . LEU A 250 ? 0.9707 0.8652 0.7104 0.0114 0.3909 -0.3444 281 LEU A CB 1870 C CG . LEU A 250 ? 0.9790 0.8914 0.7223 0.0064 0.4195 -0.3431 281 LEU A CG 1871 C CD1 . LEU A 250 ? 0.9613 0.8818 0.6755 -0.0039 0.4055 -0.3190 281 LEU A CD1 1872 C CD2 . LEU A 250 ? 1.0335 0.9302 0.7334 -0.0010 0.4546 -0.3675 281 LEU A CD2 1873 N N . GLY A 251 ? 0.9579 0.8222 0.7726 0.0367 0.3582 -0.3624 282 GLY A N 1874 C CA . GLY A 251 ? 0.9573 0.7986 0.7616 0.0369 0.3370 -0.3662 282 GLY A CA 1875 C C . GLY A 251 ? 0.9369 0.7748 0.6961 0.0251 0.3085 -0.3494 282 GLY A C 1876 O O . GLY A 251 ? 0.9485 0.7659 0.6794 0.0194 0.2947 -0.3564 282 GLY A O 1877 N N . LEU A 252 ? 0.9078 0.7661 0.6620 0.0213 0.3003 -0.3280 283 LEU A N 1878 C CA . LEU A 252 ? 0.8920 0.7502 0.6080 0.0115 0.2739 -0.3103 283 LEU A CA 1879 C C . LEU A 252 ? 0.8485 0.7145 0.5989 0.0174 0.2456 -0.2905 283 LEU A C 1880 O O . LEU A 252 ? 0.8422 0.7078 0.5666 0.0106 0.2233 -0.2770 283 LEU A O 1881 C CB . LEU A 252 ? 0.8881 0.7603 0.5761 0.0037 0.2800 -0.2975 283 LEU A CB 1882 C CG . LEU A 252 ? 0.9140 0.7807 0.5683 -0.0027 0.3109 -0.3137 283 LEU A CG 1883 C CD1 . LEU A 252 ? 0.8837 0.7664 0.5263 -0.0085 0.3170 -0.2971 283 LEU A CD1 1884 C CD2 . LEU A 252 ? 0.9642 0.8057 0.5531 -0.0133 0.3109 -0.3297 283 LEU A CD2 1885 N N . LEU A 253 ? 0.8325 0.7057 0.6407 0.0303 0.2466 -0.2882 284 LEU A N 1886 C CA . LEU A 253 ? 0.7976 0.6732 0.6357 0.0360 0.2211 -0.2714 284 LEU A CA 1887 C C . LEU A 253 ? 0.8255 0.6773 0.6742 0.0397 0.2159 -0.2836 284 LEU A C 1888 O O . LEU A 253 ? 0.8665 0.7023 0.7140 0.0416 0.2343 -0.3060 284 LEU A O 1889 C CB . LEU A 253 ? 0.7570 0.6555 0.6496 0.0474 0.2202 -0.2568 284 LEU A CB 1890 C CG . LEU A 253 ? 0.7284 0.6516 0.6225 0.0444 0.2245 -0.2438 284 LEU A CG 1891 C CD1 . LEU A 253 ? 0.6786 0.6226 0.6324 0.0563 0.2217 -0.2331 284 LEU A CD1 1892 C CD2 . LEU A 253 ? 0.6603 0.5871 0.5186 0.0345 0.2049 -0.2262 284 LEU A CD2 1893 N N . LYS A 254 ? 0.8135 0.6618 0.6724 0.0402 0.1923 -0.2694 285 LYS A N 1894 C CA . LYS A 254 ? 0.8458 0.6705 0.7136 0.0415 0.1847 -0.2774 285 LYS A CA 1895 C C . LYS A 254 ? 0.8261 0.6530 0.7459 0.0544 0.1749 -0.2631 285 LYS A C 1896 O O . LYS A 254 ? 0.7914 0.6371 0.7256 0.0571 0.1618 -0.2418 285 LYS A O 1897 C CB . LYS A 254 ? 0.8496 0.6662 0.6801 0.0285 0.1645 -0.2726 285 LYS A CB 1898 C CG . LYS A 254 ? 0.8996 0.7139 0.6747 0.0154 0.1684 -0.2839 285 LYS A CG 1899 C CD . LYS A 254 ? 0.9348 0.7415 0.6796 0.0034 0.1469 -0.2814 285 LYS A CD 1900 C CE . LYS A 254 ? 0.9935 0.7854 0.6881 -0.0082 0.1526 -0.3031 285 LYS A CE 1901 N NZ . LYS A 254 ? 0.9809 0.7686 0.6487 -0.0202 0.1301 -0.3016 285 LYS A NZ 1902 N N . ASP A 255 ? 0.8522 0.6578 0.7975 0.0621 0.1802 -0.2745 286 ASP A N 1903 C CA . ASP A 255 ? 0.8353 0.6388 0.8295 0.0757 0.1712 -0.2610 286 ASP A CA 1904 C C . ASP A 255 ? 0.8034 0.6360 0.8304 0.0860 0.1717 -0.2460 286 ASP A C 1905 O O . ASP A 255 ? 0.7685 0.6106 0.8153 0.0906 0.1541 -0.2246 286 ASP A O 1906 C CB . ASP A 255 ? 0.8149 0.6101 0.8038 0.0704 0.1470 -0.2430 286 ASP A CB 1907 C CG . ASP A 255 ? 0.8554 0.6231 0.8184 0.0594 0.1439 -0.2563 286 ASP A CG 1908 O OD1 . ASP A 255 ? 0.8601 0.6079 0.8203 0.0597 0.1588 -0.2790 286 ASP A OD1 1909 O OD2 . ASP A 255 ? 0.8967 0.6630 0.8432 0.0497 0.1264 -0.2444 286 ASP A OD2 1910 N N . HIS A 256 ? 0.8147 0.6615 0.8470 0.0887 0.1922 -0.2578 287 HIS A N 1911 C CA . HIS A 256 ? 0.7926 0.6697 0.8543 0.0955 0.1936 -0.2454 287 HIS A CA 1912 C C . HIS A 256 ? 0.8121 0.6966 0.9272 0.1117 0.2103 -0.2548 287 HIS A C 1913 O O . HIS A 256 ? 0.8383 0.7144 0.9544 0.1137 0.2340 -0.2774 287 HIS A O 1914 C CB . HIS A 256 ? 0.7823 0.6768 0.8078 0.0833 0.2017 -0.2458 287 HIS A CB 1915 C CG . HIS A 256 ? 0.7507 0.6756 0.8023 0.0869 0.2002 -0.2313 287 HIS A CG 1916 N ND1 . HIS A 256 ? 0.7468 0.6897 0.8259 0.0920 0.2215 -0.2404 287 HIS A ND1 1917 C CD2 . HIS A 256 ? 0.6662 0.6070 0.7220 0.0854 0.1803 -0.2094 287 HIS A CD2 1918 C CE1 . HIS A 256 ? 0.7123 0.6811 0.8120 0.0928 0.2137 -0.2245 287 HIS A CE1 1919 N NE2 . HIS A 256 ? 0.6584 0.6256 0.7430 0.0889 0.1886 -0.2059 287 HIS A NE2 1920 N N . SER A 257 ? 0.7979 0.6991 0.9571 0.1231 0.1971 -0.2375 288 SER A N 1921 C CA . SER A 257 ? 0.8104 0.7238 1.0292 0.1405 0.2070 -0.2418 288 SER A CA 1922 C C . SER A 257 ? 0.7874 0.7384 1.0297 0.1413 0.2098 -0.2336 288 SER A C 1923 O O . SER A 257 ? 0.7514 0.7161 0.9745 0.1325 0.1947 -0.2170 288 SER A O 1924 C CB . SER A 257 ? 0.8092 0.7106 1.0630 0.1541 0.1864 -0.2273 288 SER A CB 1925 O OG . SER A 257 ? 0.8111 0.7307 1.1257 0.1717 0.1891 -0.2255 288 SER A OG 1926 N N . LEU A 258 ? 0.8066 0.7740 1.0921 0.1514 0.2301 -0.2462 289 LEU A N 1927 C CA . LEU A 258 ? 0.7878 0.7925 1.1077 0.1534 0.2316 -0.2383 289 LEU A CA 1928 C C . LEU A 258 ? 0.7640 0.7814 1.1293 0.1664 0.2049 -0.2179 289 LEU A C 1929 O O . LEU A 258 ? 0.7381 0.7827 1.1181 0.1642 0.1935 -0.2040 289 LEU A O 1930 C CB . LEU A 258 ? 0.8081 0.8288 1.1640 0.1598 0.2628 -0.2588 289 LEU A CB 1931 C CG . LEU A 258 ? 0.8329 0.8591 1.1547 0.1457 0.2925 -0.2753 289 LEU A CG 1932 C CD1 . LEU A 258 ? 0.8561 0.8513 1.1452 0.1436 0.3133 -0.2985 289 LEU A CD1 1933 C CD2 . LEU A 258 ? 0.8371 0.8977 1.2119 0.1513 0.3140 -0.2828 289 LEU A CD2 1934 N N . GLU A 259 ? 0.7790 0.7747 1.1642 0.1794 0.1946 -0.2158 290 GLU A N 1935 C CA . GLU A 259 ? 0.7658 0.7699 1.1913 0.1928 0.1689 -0.1959 290 GLU A CA 1936 C C . GLU A 259 ? 0.7368 0.7327 1.1225 0.1827 0.1423 -0.1744 290 GLU A C 1937 O O . GLU A 259 ? 0.7244 0.7364 1.1284 0.1869 0.1205 -0.1557 290 GLU A O 1938 C CB . GLU A 259 ? 0.7970 0.7790 1.2603 0.2117 0.1681 -0.2003 290 GLU A CB 1939 C CG . GLU A 259 ? 0.8206 0.8211 1.3450 0.2275 0.1887 -0.2165 290 GLU A CG 1940 C CD . GLU A 259 ? 0.8746 0.8702 1.3819 0.2205 0.2244 -0.2446 290 GLU A CD 1941 O OE1 . GLU A 259 ? 0.8868 0.9129 1.4210 0.2206 0.2437 -0.2548 290 GLU A OE1 1942 O OE2 . GLU A 259 ? 0.8791 0.8407 1.3456 0.2140 0.2335 -0.2568 290 GLU A OE2 1943 N N . GLY A 260 ? 0.7362 0.7081 1.0672 0.1691 0.1443 -0.1779 291 GLY A N 1944 C CA . GLY A 260 ? 0.7001 0.6674 0.9902 0.1572 0.1233 -0.1599 291 GLY A CA 1945 C C . GLY A 260 ? 0.6766 0.6584 0.9263 0.1400 0.1294 -0.1613 291 GLY A C 1946 O O . GLY A 260 ? 0.6770 0.6436 0.8792 0.1275 0.1251 -0.1595 291 GLY A O 1947 N N . ARG A 261 ? 0.6549 0.6660 0.9240 0.1391 0.1389 -0.1637 292 ARG A N 1948 C CA . ARG A 261 ? 0.6466 0.6692 0.8769 0.1229 0.1435 -0.1624 292 ARG A CA 1949 C C . ARG A 261 ? 0.6088 0.6362 0.8167 0.1155 0.1188 -0.1414 292 ARG A C 1950 O O . ARG A 261 ? 0.5984 0.6307 0.8291 0.1232 0.0990 -0.1269 292 ARG A O 1951 C CB . ARG A 261 ? 0.6504 0.6990 0.9011 0.1206 0.1650 -0.1727 292 ARG A CB 1952 C CG . ARG A 261 ? 0.6830 0.7546 1.0011 0.1354 0.1718 -0.1774 292 ARG A CG 1953 C CD . ARG A 261 ? 0.7205 0.8181 1.0509 0.1285 0.1955 -0.1876 292 ARG A CD 1954 N NE . ARG A 261 ? 0.7421 0.8438 1.0287 0.1116 0.1903 -0.1779 292 ARG A NE 1955 C CZ . ARG A 261 ? 0.7605 0.8677 1.0211 0.0986 0.2107 -0.1851 292 ARG A CZ 1956 N NH1 . ARG A 261 ? 0.7549 0.8666 1.0271 0.0988 0.2407 -0.2033 292 ARG A NH1 1957 N NH2 . ARG A 261 ? 0.7237 0.8306 0.9452 0.0852 0.2013 -0.1734 292 ARG A NH2 1958 N N . TYR A 262 ? 0.5954 0.6196 0.7563 0.1010 0.1204 -0.1402 293 TYR A N 1959 C CA . TYR A 262 ? 0.5590 0.5870 0.6964 0.0936 0.1004 -0.1228 293 TYR A CA 1960 C C . TYR A 262 ? 0.5352 0.5913 0.6956 0.0925 0.0973 -0.1156 293 TYR A C 1961 O O . TYR A 262 ? 0.5158 0.5798 0.6845 0.0941 0.0774 -0.1008 293 TYR A O 1962 C CB . TYR A 262 ? 0.5544 0.5700 0.6375 0.0797 0.1035 -0.1248 293 TYR A CB 1963 C CG . TYR A 262 ? 0.5486 0.5388 0.6077 0.0781 0.1091 -0.1357 293 TYR A CG 1964 C CD1 . TYR A 262 ? 0.5439 0.5168 0.6134 0.0849 0.0984 -0.1328 293 TYR A CD1 1965 C CD2 . TYR A 262 ? 0.5745 0.5567 0.5984 0.0690 0.1247 -0.1490 293 TYR A CD2 1966 C CE1 . TYR A 262 ? 0.5756 0.5242 0.6240 0.0819 0.1033 -0.1440 293 TYR A CE1 1967 C CE2 . TYR A 262 ? 0.5755 0.5345 0.5761 0.0663 0.1287 -0.1608 293 TYR A CE2 1968 C CZ . TYR A 262 ? 0.6004 0.5431 0.6151 0.0725 0.1179 -0.1587 293 TYR A CZ 1969 O OH . TYR A 262 ? 0.5772 0.4965 0.5703 0.0686 0.1212 -0.1710 293 TYR A OH 1970 N N . PHE A 263 ? 0.5345 0.6045 0.7037 0.0889 0.1180 -0.1268 294 PHE A N 1971 C CA . PHE A 263 ? 0.5351 0.6318 0.7255 0.0848 0.1197 -0.1229 294 PHE A CA 1972 C C . PHE A 263 ? 0.5525 0.6726 0.8057 0.0963 0.1250 -0.1280 294 PHE A C 1973 O O . PHE A 263 ? 0.5640 0.6927 0.8373 0.0976 0.1482 -0.1422 294 PHE A O 1974 C CB . PHE A 263 ? 0.5275 0.6240 0.6821 0.0707 0.1378 -0.1288 294 PHE A CB 1975 C CG . PHE A 263 ? 0.5144 0.5922 0.6136 0.0609 0.1276 -0.1209 294 PHE A CG 1976 C CD1 . PHE A 263 ? 0.4456 0.5269 0.5352 0.0575 0.1066 -0.1055 294 PHE A CD1 1977 C CD2 . PHE A 263 ? 0.5273 0.5843 0.5853 0.0558 0.1379 -0.1295 294 PHE A CD2 1978 C CE1 . PHE A 263 ? 0.4824 0.5479 0.5257 0.0499 0.0977 -0.0987 294 PHE A CE1 1979 C CE2 . PHE A 263 ? 0.5136 0.5556 0.5247 0.0477 0.1265 -0.1221 294 PHE A CE2 1980 C CZ . PHE A 263 ? 0.4933 0.5401 0.4989 0.0452 0.1072 -0.1067 294 PHE A CZ 1981 N N . GLN A 264 ? 0.5703 0.7009 0.8531 0.1044 0.1023 -0.1157 295 GLN A N 1982 C CA . GLN A 264 ? 0.6024 0.7532 0.9469 0.1183 0.0991 -0.1171 295 GLN A CA 1983 C C . GLN A 264 ? 0.5999 0.7850 0.9798 0.1143 0.0989 -0.1158 295 GLN A C 1984 O O . GLN A 264 ? 0.5915 0.7825 0.9481 0.1019 0.0923 -0.1085 295 GLN A O 1985 C CB . GLN A 264 ? 0.6092 0.7502 0.9634 0.1298 0.0714 -0.1027 295 GLN A CB 1986 C CG . GLN A 264 ? 0.6314 0.7616 0.9424 0.1210 0.0487 -0.0860 295 GLN A CG 1987 C CD . GLN A 264 ? 0.6944 0.8201 1.0195 0.1318 0.0210 -0.0701 295 GLN A CD 1988 O OE1 . GLN A 264 ? 0.7048 0.8368 1.0176 0.1272 0.0013 -0.0570 295 GLN A OE1 1989 N NE2 . GLN A 264 ? 0.7123 0.8255 1.0617 0.1462 0.0200 -0.0714 295 GLN A NE2 1990 N N . ASN A 265 ? 0.6266 0.8341 1.0657 0.1251 0.1063 -0.1235 296 ASN A N 1991 C CA . ASN A 265 ? 0.6345 0.8780 1.1196 0.1234 0.1019 -0.1218 296 ASN A CA 1992 C C . ASN A 265 ? 0.6317 0.8843 1.1312 0.1286 0.0670 -0.1049 296 ASN A C 1993 O O . ASN A 265 ? 0.6375 0.9154 1.1938 0.1393 0.0560 -0.1036 296 ASN A O 1994 C CB . ASN A 265 ? 0.6441 0.9113 1.1936 0.1345 0.1207 -0.1360 296 ASN A CB 1995 C CG . ASN A 265 ? 0.6606 0.9448 1.2157 0.1218 0.1518 -0.1495 296 ASN A CG 1996 O OD1 . ASN A 265 ? 0.6841 0.9571 1.1894 0.1053 0.1606 -0.1484 296 ASN A OD1 1997 N ND2 . ASN A 265 ? 0.6741 0.9854 1.2907 0.1295 0.1689 -0.1617 296 ASN A ND2 1998 N N . TYR A 266 ? 0.6327 0.8653 1.0810 0.1211 0.0496 -0.0924 297 TYR A N 1999 C CA . TYR A 266 ? 0.6377 0.8748 1.0892 0.1245 0.0173 -0.0764 297 TYR A CA 2000 C C . TYR A 266 ? 0.6229 0.8636 1.0405 0.1081 0.0078 -0.0694 297 TYR A C 2001 O O . TYR A 266 ? 0.6077 0.8291 0.9749 0.0968 0.0167 -0.0695 297 TYR A O 2002 C CB . TYR A 266 ? 0.6549 0.8619 1.0804 0.1339 0.0014 -0.0659 297 TYR A CB 2003 C CG . TYR A 266 ? 0.6898 0.9002 1.1181 0.1385 -0.0315 -0.0489 297 TYR A CG 2004 C CD1 . TYR A 266 ? 0.7362 0.9753 1.2187 0.1478 -0.0473 -0.0458 297 TYR A CD1 2005 C CD2 . TYR A 266 ? 0.7246 0.9105 1.1015 0.1335 -0.0468 -0.0360 297 TYR A CD2 2006 C CE1 . TYR A 266 ? 0.7589 1.0009 1.2405 0.1518 -0.0794 -0.0299 297 TYR A CE1 2007 C CE2 . TYR A 266 ? 0.7554 0.9431 1.1300 0.1370 -0.0763 -0.0203 297 TYR A CE2 2008 C CZ . TYR A 266 ? 0.7699 0.9850 1.1952 0.1462 -0.0932 -0.0172 297 TYR A CZ 2009 O OH . TYR A 266 ? 0.7681 0.9849 1.1884 0.1495 -0.1235 -0.0018 297 TYR A OH 2010 N N . SER A 267 ? 0.6186 0.8844 1.0661 0.1073 -0.0108 -0.0639 298 SER A N 2011 C CA . SER A 267 ? 0.6123 0.8800 1.0304 0.0934 -0.0247 -0.0565 298 SER A CA 2012 C C . SER A 267 ? 0.6133 0.8625 1.0005 0.0981 -0.0523 -0.0414 298 SER A C 2013 O O . SER A 267 ? 0.6272 0.8726 1.0329 0.1126 -0.0654 -0.0354 298 SER A O 2014 C CB . SER A 267 ? 0.6100 0.9139 1.0756 0.0886 -0.0311 -0.0598 298 SER A CB 2015 O OG . SER A 267 ? 0.6287 0.9534 1.1487 0.1037 -0.0475 -0.0575 298 SER A OG 2016 N N . TYR A 268 ? 0.5952 0.8318 0.9356 0.0863 -0.0602 -0.0351 299 TYR A N 2017 C CA . TYR A 268 ? 0.5929 0.8118 0.9010 0.0894 -0.0841 -0.0212 299 TYR A CA 2018 C C . TYR A 268 ? 0.5805 0.8157 0.8942 0.0847 -0.1085 -0.0148 299 TYR A C 2019 O O . TYR A 268 ? 0.5765 0.8257 0.8926 0.0726 -0.1050 -0.0205 299 TYR A O 2020 C CB . TYR A 268 ? 0.5966 0.7855 0.8453 0.0819 -0.0762 -0.0183 299 TYR A CB 2021 C CG . TYR A 268 ? 0.6279 0.7982 0.8428 0.0842 -0.0970 -0.0046 299 TYR A CG 2022 C CD1 . TYR A 268 ? 0.6747 0.8268 0.8862 0.0955 -0.1023 0.0027 299 TYR A CD1 2023 C CD2 . TYR A 268 ? 0.6513 0.8204 0.8368 0.0747 -0.1099 0.0009 299 TYR A CD2 2024 C CE1 . TYR A 268 ? 0.6937 0.8277 0.8727 0.0965 -0.1198 0.0163 299 TYR A CE1 2025 C CE2 . TYR A 268 ? 0.6881 0.8398 0.8404 0.0761 -0.1266 0.0131 299 TYR A CE2 2026 C CZ . TYR A 268 ? 0.6964 0.8313 0.8456 0.0868 -0.1314 0.0212 299 TYR A CZ 2027 O OH . TYR A 268 ? 0.7128 0.8300 0.8276 0.0868 -0.1462 0.0339 299 TYR A OH 2028 N N . GLY A 269 ? 0.5767 0.8081 0.8898 0.0937 -0.1335 -0.0029 300 GLY A N 2029 C CA . GLY A 269 ? 0.5675 0.8177 0.8935 0.0915 -0.1589 0.0020 300 GLY A CA 2030 C C . GLY A 269 ? 0.5668 0.8006 0.8403 0.0826 -0.1745 0.0106 300 GLY A C 2031 O O . GLY A 269 ? 0.5708 0.8181 0.8487 0.0793 -0.1967 0.0139 300 GLY A O 2032 N N . GLY A 270 ? 0.5548 0.7603 0.7794 0.0784 -0.1632 0.0132 301 GLY A N 2033 C CA . GLY A 270 ? 0.5457 0.7345 0.7186 0.0694 -0.1732 0.0196 301 GLY A CA 2034 C C . GLY A 270 ? 0.5197 0.7007 0.6633 0.0557 -0.1545 0.0115 301 GLY A C 2035 O O . GLY A 270 ? 0.5116 0.7007 0.6730 0.0518 -0.1350 0.0015 301 GLY A O 2036 N N . VAL A 271 ? 0.5042 0.6686 0.6021 0.0487 -0.1602 0.0160 302 VAL A N 2037 C CA . VAL A 271 ? 0.4726 0.6264 0.5407 0.0374 -0.1440 0.0097 302 VAL A CA 2038 C C . VAL A 271 ? 0.4575 0.5857 0.4869 0.0397 -0.1362 0.0155 302 VAL A C 2039 O O . VAL A 271 ? 0.4708 0.5869 0.4762 0.0424 -0.1489 0.0248 302 VAL A O 2040 C CB . VAL A 271 ? 0.4782 0.6343 0.5269 0.0267 -0.1556 0.0080 302 VAL A CB 2041 C CG1 . VAL A 271 ? 0.4821 0.6246 0.5007 0.0167 -0.1393 0.0025 302 VAL A CG1 2042 C CG2 . VAL A 271 ? 0.4884 0.6716 0.5783 0.0232 -0.1657 0.0020 302 VAL A CG2 2043 N N . ILE A 272 ? 0.4251 0.5455 0.4485 0.0380 -0.1159 0.0101 303 ILE A N 2044 C CA . ILE A 272 ? 0.4275 0.5261 0.4155 0.0379 -0.1078 0.0137 303 ILE A CA 2045 C C . ILE A 272 ? 0.4178 0.5077 0.3736 0.0282 -0.1008 0.0107 303 ILE A C 2046 O O . ILE A 272 ? 0.4030 0.4974 0.3638 0.0226 -0.0891 0.0034 303 ILE A O 2047 C CB . ILE A 272 ? 0.4136 0.5073 0.4114 0.0418 -0.0903 0.0089 303 ILE A CB 2048 C CG1 . ILE A 272 ? 0.4030 0.5043 0.4366 0.0523 -0.0937 0.0097 303 ILE A CG1 2049 C CG2 . ILE A 272 ? 0.4093 0.4820 0.3721 0.0406 -0.0834 0.0120 303 ILE A CG2 2050 C CD1 . ILE A 272 ? 0.4854 0.5703 0.5130 0.0589 -0.0888 0.0125 303 ILE A CD1 2051 N N . GLN A 273 ? 0.4321 0.5084 0.3554 0.0266 -0.1067 0.0166 304 GLN A N 2052 C CA . GLN A 273 ? 0.4201 0.4852 0.3124 0.0199 -0.0984 0.0142 304 GLN A CA 2053 C C . GLN A 273 ? 0.4111 0.4670 0.2953 0.0210 -0.0832 0.0124 304 GLN A C 2054 O O . GLN A 273 ? 0.4128 0.4614 0.2946 0.0257 -0.0819 0.0164 304 GLN A O 2055 C CB . GLN A 273 ? 0.4321 0.4862 0.2937 0.0186 -0.1076 0.0206 304 GLN A CB 2056 C CG . GLN A 273 ? 0.4819 0.5420 0.3395 0.0153 -0.1242 0.0215 304 GLN A CG 2057 C CD . GLN A 273 ? 0.5479 0.6175 0.4160 0.0078 -0.1224 0.0120 304 GLN A CD 2058 O OE1 . GLN A 273 ? 0.5329 0.5957 0.3885 0.0028 -0.1106 0.0066 304 GLN A OE1 2059 N NE2 . GLN A 273 ? 0.5752 0.6606 0.4688 0.0071 -0.1342 0.0102 304 GLN A NE2 2060 N N . ASP A 274 ? 0.4023 0.4570 0.2797 0.0160 -0.0726 0.0066 305 ASP A N 2061 C CA . ASP A 274 ? 0.3971 0.4436 0.2639 0.0163 -0.0601 0.0047 305 ASP A CA 2062 C C . ASP A 274 ? 0.3775 0.4210 0.2322 0.0104 -0.0526 0.0006 305 ASP A C 2063 O O . ASP A 274 ? 0.3833 0.4303 0.2403 0.0058 -0.0560 -0.0014 305 ASP A O 2064 C CB . ASP A 274 ? 0.4010 0.4520 0.2888 0.0203 -0.0529 0.0015 305 ASP A CB 2065 C CG . ASP A 274 ? 0.3715 0.4125 0.2467 0.0218 -0.0440 0.0002 305 ASP A CG 2066 O OD1 . ASP A 274 ? 0.4079 0.4409 0.2613 0.0198 -0.0431 0.0019 305 ASP A OD1 2067 O OD2 . ASP A 274 ? 0.3435 0.3854 0.2324 0.0251 -0.0384 -0.0033 305 ASP A OD2 2068 N N . ASP A 275 ? 0.3875 0.4234 0.2293 0.0105 -0.0435 -0.0005 306 ASP A N 2069 C CA . ASP A 275 ? 0.3693 0.3995 0.1986 0.0064 -0.0366 -0.0027 306 ASP A CA 2070 C C . ASP A 275 ? 0.3658 0.4006 0.2070 0.0012 -0.0314 -0.0064 306 ASP A C 2071 O O . ASP A 275 ? 0.3531 0.3808 0.1835 -0.0031 -0.0278 -0.0070 306 ASP A O 2072 C CB . ASP A 275 ? 0.3813 0.4045 0.1979 0.0083 -0.0293 -0.0028 306 ASP A CB 2073 C CG . ASP A 275 ? 0.3598 0.3779 0.1629 0.0113 -0.0334 0.0003 306 ASP A CG 2074 O OD1 . ASP A 275 ? 0.4218 0.4377 0.2168 0.0107 -0.0381 0.0023 306 ASP A OD1 2075 O OD2 . ASP A 275 ? 0.4179 0.4347 0.2195 0.0135 -0.0312 0.0000 306 ASP A OD2 2076 N N . HIS A 276 ? 0.3568 0.4032 0.2223 0.0014 -0.0304 -0.0088 307 HIS A N 2077 C CA . HIS A 276 ? 0.3597 0.4131 0.2413 -0.0048 -0.0233 -0.0129 307 HIS A CA 2078 C C . HIS A 276 ? 0.3320 0.3906 0.2213 -0.0098 -0.0328 -0.0137 307 HIS A C 2079 O O . HIS A 276 ? 0.3592 0.4185 0.2540 -0.0171 -0.0282 -0.0165 307 HIS A O 2080 C CB . HIS A 276 ? 0.3561 0.4228 0.2656 -0.0024 -0.0181 -0.0165 307 HIS A CB 2081 C CG . HIS A 276 ? 0.3281 0.4074 0.2607 0.0021 -0.0309 -0.0155 307 HIS A CG 2082 N ND1 . HIS A 276 ? 0.2716 0.3465 0.1967 0.0088 -0.0410 -0.0107 307 HIS A ND1 2083 C CD2 . HIS A 276 ? 0.3148 0.4109 0.2781 0.0008 -0.0361 -0.0179 307 HIS A CD2 2084 C CE1 . HIS A 276 ? 0.3286 0.4149 0.2755 0.0120 -0.0525 -0.0092 307 HIS A CE1 2085 N NE2 . HIS A 276 ? 0.3158 0.4163 0.2876 0.0077 -0.0506 -0.0139 307 HIS A NE2 2086 N N . ILE A 277 ? 0.3306 0.3915 0.2183 -0.0065 -0.0463 -0.0111 308 ILE A N 2087 C CA . ILE A 277 ? 0.3128 0.3782 0.2040 -0.0113 -0.0577 -0.0126 308 ILE A CA 2088 C C . ILE A 277 ? 0.3235 0.3793 0.2026 -0.0198 -0.0530 -0.0161 308 ILE A C 2089 O O . ILE A 277 ? 0.3323 0.3961 0.2287 -0.0271 -0.0546 -0.0205 308 ILE A O 2090 C CB . ILE A 277 ? 0.3112 0.3744 0.1895 -0.0070 -0.0720 -0.0082 308 ILE A CB 2091 C CG1 . ILE A 277 ? 0.3429 0.4181 0.2428 -0.0004 -0.0800 -0.0049 308 ILE A CG1 2092 C CG2 . ILE A 277 ? 0.3517 0.4151 0.2231 -0.0136 -0.0834 -0.0111 308 ILE A CG2 2093 C CD1 . ILE A 277 ? 0.2819 0.3775 0.2191 -0.0027 -0.0860 -0.0088 308 ILE A CD1 2094 N N . PRO A 278 ? 0.3308 0.3695 0.1823 -0.0189 -0.0478 -0.0144 309 PRO A N 2095 C CA . PRO A 278 ? 0.3304 0.3576 0.1723 -0.0264 -0.0442 -0.0177 309 PRO A CA 2096 C C . PRO A 278 ? 0.3300 0.3540 0.1800 -0.0322 -0.0311 -0.0188 309 PRO A C 2097 O O . PRO A 278 ? 0.3404 0.3569 0.1904 -0.0405 -0.0288 -0.0220 309 PRO A O 2098 C CB . PRO A 278 ? 0.3424 0.3530 0.1560 -0.0219 -0.0425 -0.0154 309 PRO A CB 2099 C CG . PRO A 278 ? 0.3400 0.3540 0.1494 -0.0133 -0.0423 -0.0106 309 PRO A CG 2100 C CD . PRO A 278 ? 0.3010 0.3311 0.1315 -0.0118 -0.0490 -0.0101 309 PRO A CD 2101 N N . PHE A 279 ? 0.3318 0.3586 0.1854 -0.0287 -0.0217 -0.0163 310 PHE A N 2102 C CA . PHE A 279 ? 0.3392 0.3661 0.2027 -0.0351 -0.0082 -0.0173 310 PHE A CA 2103 C C . PHE A 279 ? 0.3363 0.3829 0.2342 -0.0412 -0.0082 -0.0223 310 PHE A C 2104 O O . PHE A 279 ? 0.3311 0.3771 0.2391 -0.0510 -0.0021 -0.0249 310 PHE A O 2105 C CB . PHE A 279 ? 0.3278 0.3517 0.1818 -0.0297 0.0016 -0.0144 310 PHE A CB 2106 C CG . PHE A 279 ? 0.3695 0.3766 0.1940 -0.0246 0.0012 -0.0098 310 PHE A CG 2107 C CD1 . PHE A 279 ? 0.3727 0.3811 0.1891 -0.0165 -0.0072 -0.0082 310 PHE A CD1 2108 C CD2 . PHE A 279 ? 0.3431 0.3331 0.1495 -0.0279 0.0084 -0.0066 310 PHE A CD2 2109 C CE1 . PHE A 279 ? 0.3767 0.3727 0.1708 -0.0120 -0.0083 -0.0047 310 PHE A CE1 2110 C CE2 . PHE A 279 ? 0.3555 0.3320 0.1388 -0.0221 0.0061 -0.0023 310 PHE A CE2 2111 C CZ . PHE A 279 ? 0.3413 0.3224 0.1199 -0.0140 -0.0023 -0.0018 310 PHE A CZ 2112 N N . LEU A 280 ? 0.3495 0.4134 0.2673 -0.0354 -0.0150 -0.0233 311 LEU A N 2113 C CA . LEU A 280 ? 0.3512 0.4376 0.3078 -0.0393 -0.0169 -0.0281 311 LEU A CA 2114 C C . LEU A 280 ? 0.3558 0.4462 0.3224 -0.0488 -0.0263 -0.0319 311 LEU A C 2115 O O . LEU A 280 ? 0.3522 0.4502 0.3402 -0.0585 -0.0186 -0.0361 311 LEU A O 2116 C CB . LEU A 280 ? 0.3442 0.4463 0.3198 -0.0296 -0.0275 -0.0275 311 LEU A CB 2117 C CG . LEU A 280 ? 0.3257 0.4536 0.3462 -0.0298 -0.0300 -0.0318 311 LEU A CG 2118 C CD1 . LEU A 280 ? 0.2737 0.4067 0.3083 -0.0268 -0.0123 -0.0341 311 LEU A CD1 2119 C CD2 . LEU A 280 ? 0.2758 0.4152 0.3096 -0.0210 -0.0501 -0.0291 311 LEU A CD2 2120 N N . ARG A 281 ? 0.3599 0.4451 0.3110 -0.0469 -0.0422 -0.0312 312 ARG A N 2121 C CA . ARG A 281 ? 0.3575 0.4452 0.3145 -0.0561 -0.0531 -0.0364 312 ARG A CA 2122 C C . ARG A 281 ? 0.3717 0.4418 0.3168 -0.0670 -0.0425 -0.0393 312 ARG A C 2123 O O . ARG A 281 ? 0.3901 0.4601 0.3407 -0.0763 -0.0493 -0.0449 312 ARG A O 2124 C CB . ARG A 281 ? 0.3617 0.4446 0.2976 -0.0518 -0.0710 -0.0353 312 ARG A CB 2125 C CG . ARG A 281 ? 0.3761 0.4342 0.2725 -0.0485 -0.0663 -0.0325 312 ARG A CG 2126 C CD . ARG A 281 ? 0.3723 0.4263 0.2466 -0.0444 -0.0818 -0.0317 312 ARG A CD 2127 N NE . ARG A 281 ? 0.3424 0.3744 0.1839 -0.0426 -0.0758 -0.0312 312 ARG A NE 2128 C CZ . ARG A 281 ? 0.3830 0.4005 0.2111 -0.0494 -0.0740 -0.0370 312 ARG A CZ 2129 N NH1 . ARG A 281 ? 0.3835 0.3824 0.1858 -0.0457 -0.0678 -0.0363 312 ARG A NH1 2130 N NH2 . ARG A 281 ? 0.4123 0.4338 0.2552 -0.0601 -0.0782 -0.0440 312 ARG A NH2 2131 N N . ARG A 282 ? 0.3962 0.4505 0.3251 -0.0662 -0.0262 -0.0352 313 ARG A N 2132 C CA . ARG A 282 ? 0.4029 0.4392 0.3231 -0.0762 -0.0146 -0.0361 313 ARG A CA 2133 C C . ARG A 282 ? 0.4100 0.4543 0.3518 -0.0830 0.0023 -0.0359 313 ARG A C 2134 O O . ARG A 282 ? 0.4267 0.4547 0.3606 -0.0915 0.0155 -0.0344 313 ARG A O 2135 C CB . ARG A 282 ? 0.4047 0.4138 0.2872 -0.0703 -0.0097 -0.0305 313 ARG A CB 2136 C CG . ARG A 282 ? 0.3866 0.3832 0.2482 -0.0677 -0.0217 -0.0329 313 ARG A CG 2137 C CD . ARG A 282 ? 0.3821 0.3543 0.2123 -0.0603 -0.0150 -0.0272 313 ARG A CD 2138 N NE . ARG A 282 ? 0.4246 0.3846 0.2356 -0.0568 -0.0231 -0.0301 313 ARG A NE 2139 C CZ . ARG A 282 ? 0.4448 0.4104 0.2458 -0.0487 -0.0317 -0.0299 313 ARG A CZ 2140 N NH1 . ARG A 282 ? 0.4314 0.4145 0.2408 -0.0429 -0.0356 -0.0266 313 ARG A NH1 2141 N NH2 . ARG A 282 ? 0.4437 0.3967 0.2267 -0.0470 -0.0360 -0.0338 313 ARG A NH2 2142 N N . GLY A 283 ? 0.3784 0.4465 0.3470 -0.0791 0.0029 -0.0372 314 GLY A N 2143 C CA . GLY A 283 ? 0.3711 0.4516 0.3658 -0.0860 0.0192 -0.0392 314 GLY A CA 2144 C C . GLY A 283 ? 0.3822 0.4552 0.3615 -0.0805 0.0362 -0.0345 314 GLY A C 2145 O O . GLY A 283 ? 0.3757 0.4561 0.3714 -0.0865 0.0529 -0.0362 314 GLY A O 2146 N N . VAL A 284 ? 0.3854 0.4454 0.3342 -0.0693 0.0322 -0.0295 315 VAL A N 2147 C CA . VAL A 284 ? 0.3870 0.4408 0.3199 -0.0640 0.0457 -0.0264 315 VAL A CA 2148 C C . VAL A 284 ? 0.3733 0.4509 0.3362 -0.0582 0.0474 -0.0312 315 VAL A C 2149 O O . VAL A 284 ? 0.3881 0.4773 0.3637 -0.0507 0.0323 -0.0324 315 VAL A O 2150 C CB . VAL A 284 ? 0.3916 0.4283 0.2891 -0.0539 0.0377 -0.0209 315 VAL A CB 2151 C CG1 . VAL A 284 ? 0.3923 0.4219 0.2707 -0.0491 0.0493 -0.0185 315 VAL A CG1 2152 C CG2 . VAL A 284 ? 0.4209 0.4353 0.2932 -0.0574 0.0345 -0.0168 315 VAL A CG2 2153 N N . PRO A 285 ? 0.3907 0.4739 0.3634 -0.0611 0.0661 -0.0337 316 PRO A N 2154 C CA . PRO A 285 ? 0.3849 0.4885 0.3854 -0.0530 0.0672 -0.0390 316 PRO A CA 2155 C C . PRO A 285 ? 0.3786 0.4729 0.3557 -0.0406 0.0606 -0.0367 316 PRO A C 2156 O O . PRO A 285 ? 0.3887 0.4624 0.3275 -0.0395 0.0644 -0.0324 316 PRO A O 2157 C CB . PRO A 285 ? 0.3939 0.5018 0.4036 -0.0594 0.0925 -0.0431 316 PRO A CB 2158 C CG . PRO A 285 ? 0.4255 0.5116 0.4039 -0.0695 0.1036 -0.0378 316 PRO A CG 2159 C CD . PRO A 285 ? 0.4043 0.4722 0.3563 -0.0690 0.0869 -0.0313 316 PRO A CD 2160 N N . VAL A 286 ? 0.3551 0.4648 0.3569 -0.0316 0.0507 -0.0395 317 VAL A N 2161 C CA . VAL A 286 ? 0.3489 0.4509 0.3347 -0.0204 0.0435 -0.0378 317 VAL A CA 2162 C C . VAL A 286 ? 0.3603 0.4740 0.3707 -0.0127 0.0505 -0.0438 317 VAL A C 2163 O O . VAL A 286 ? 0.3569 0.4916 0.4090 -0.0104 0.0485 -0.0478 317 VAL A O 2164 C CB . VAL A 286 ? 0.3265 0.4281 0.3094 -0.0150 0.0209 -0.0329 317 VAL A CB 2165 C CG1 . VAL A 286 ? 0.3390 0.4306 0.3043 -0.0054 0.0161 -0.0306 317 VAL A CG1 2166 C CG2 . VAL A 286 ? 0.3039 0.3915 0.2601 -0.0213 0.0149 -0.0283 317 VAL A CG2 2167 N N . LEU A 287 ? 0.3755 0.4754 0.3611 -0.0082 0.0573 -0.0448 318 LEU A N 2168 C CA . LEU A 287 ? 0.3731 0.4772 0.3737 -0.0001 0.0646 -0.0515 318 LEU A CA 2169 C C . LEU A 287 ? 0.3646 0.4570 0.3477 0.0077 0.0489 -0.0469 318 LEU A C 2170 O O . LEU A 287 ? 0.3783 0.4542 0.3260 0.0064 0.0481 -0.0442 318 LEU A O 2171 C CB . LEU A 287 ? 0.3866 0.4811 0.3667 -0.0039 0.0863 -0.0576 318 LEU A CB 2172 C CG . LEU A 287 ? 0.3978 0.4927 0.3870 0.0026 0.0988 -0.0674 318 LEU A CG 2173 C CD1 . LEU A 287 ? 0.3773 0.4948 0.4189 0.0077 0.1036 -0.0740 318 LEU A CD1 2174 C CD2 . LEU A 287 ? 0.4194 0.5036 0.3803 -0.0042 0.1199 -0.0726 318 LEU A CD2 2175 N N . HIS A 288 ? 0.3491 0.4503 0.3572 0.0153 0.0356 -0.0452 319 HIS A N 2176 C CA . HIS A 288 ? 0.3453 0.4351 0.3357 0.0204 0.0198 -0.0385 319 HIS A CA 2177 C C . HIS A 288 ? 0.3443 0.4284 0.3413 0.0288 0.0227 -0.0425 319 HIS A C 2178 O O . HIS A 288 ? 0.3584 0.4519 0.3875 0.0361 0.0191 -0.0438 319 HIS A O 2179 C CB . HIS A 288 ? 0.3269 0.4264 0.3337 0.0222 0.0017 -0.0321 319 HIS A CB 2180 C CG . HIS A 288 ? 0.3428 0.4300 0.3258 0.0245 -0.0128 -0.0242 319 HIS A CG 2181 N ND1 . HIS A 288 ? 0.3257 0.4178 0.3149 0.0262 -0.0299 -0.0178 319 HIS A ND1 2182 C CD2 . HIS A 288 ? 0.3380 0.4090 0.2909 0.0248 -0.0125 -0.0219 319 HIS A CD2 2183 C CE1 . HIS A 288 ? 0.3411 0.4195 0.3036 0.0272 -0.0375 -0.0118 319 HIS A CE1 2184 N NE2 . HIS A 288 ? 0.3167 0.3834 0.2598 0.0265 -0.0272 -0.0143 319 HIS A NE2 2185 N N . LEU A 289 ? 0.3482 0.4166 0.3161 0.0275 0.0292 -0.0450 320 LEU A N 2186 C CA . LEU A 289 ? 0.3466 0.4059 0.3163 0.0338 0.0323 -0.0502 320 LEU A CA 2187 C C . LEU A 289 ? 0.3307 0.3812 0.2944 0.0380 0.0158 -0.0421 320 LEU A C 2188 O O . LEU A 289 ? 0.3195 0.3565 0.2584 0.0363 0.0138 -0.0412 320 LEU A O 2189 C CB . LEU A 289 ? 0.3513 0.3983 0.2913 0.0290 0.0456 -0.0575 320 LEU A CB 2190 C CG . LEU A 289 ? 0.3867 0.4386 0.3220 0.0226 0.0632 -0.0636 320 LEU A CG 2191 C CD1 . LEU A 289 ? 0.3969 0.4351 0.3027 0.0196 0.0763 -0.0723 320 LEU A CD1 2192 C CD2 . LEU A 289 ? 0.3894 0.4577 0.3635 0.0254 0.0729 -0.0692 320 LEU A CD2 2193 N N . ILE A 290 ? 0.3376 0.3964 0.3239 0.0429 0.0036 -0.0355 321 ILE A N 2194 C CA . ILE A 290 ? 0.3345 0.3843 0.3202 0.0482 -0.0100 -0.0277 321 ILE A CA 2195 C C . ILE A 290 ? 0.3643 0.4184 0.3870 0.0585 -0.0112 -0.0295 321 ILE A C 2196 O O . ILE A 290 ? 0.3689 0.4402 0.4216 0.0614 -0.0110 -0.0314 321 ILE A O 2197 C CB . ILE A 290 ? 0.3410 0.3941 0.3160 0.0454 -0.0250 -0.0171 321 ILE A CB 2198 C CG1 . ILE A 290 ? 0.3136 0.3544 0.2783 0.0486 -0.0371 -0.0078 321 ILE A CG1 2199 C CG2 . ILE A 290 ? 0.2773 0.3482 0.2787 0.0467 -0.0315 -0.0157 321 ILE A CG2 2200 C CD1 . ILE A 290 ? 0.3286 0.3702 0.2748 0.0444 -0.0483 0.0006 321 ILE A CD1 2201 N N . PRO A 291 ? 0.3709 0.4098 0.3945 0.0641 -0.0119 -0.0295 322 PRO A N 2202 C CA . PRO A 291 ? 0.3727 0.4126 0.4312 0.0751 -0.0137 -0.0303 322 PRO A CA 2203 C C . PRO A 291 ? 0.3771 0.4216 0.4482 0.0806 -0.0334 -0.0167 322 PRO A C 2204 O O . PRO A 291 ? 0.3693 0.4101 0.4158 0.0754 -0.0441 -0.0073 322 PRO A O 2205 C CB . PRO A 291 ? 0.3835 0.4006 0.4318 0.0774 -0.0101 -0.0328 322 PRO A CB 2206 C CG . PRO A 291 ? 0.3909 0.3975 0.4015 0.0682 -0.0136 -0.0281 322 PRO A CG 2207 C CD . PRO A 291 ? 0.3757 0.3958 0.3700 0.0603 -0.0135 -0.0271 322 PRO A CD 2208 N N . SER A 292 ? 0.3909 0.4436 0.5000 0.0913 -0.0376 -0.0164 323 SER A N 2209 C CA . SER A 292 ? 0.4159 0.4698 0.5380 0.0987 -0.0575 -0.0031 323 SER A CA 2210 C C . SER A 292 ? 0.4356 0.4810 0.5889 0.1117 -0.0550 -0.0054 323 SER A C 2211 O O . SER A 292 ? 0.4498 0.5073 0.6357 0.1170 -0.0431 -0.0170 323 SER A O 2212 C CB . SER A 292 ? 0.4123 0.4921 0.5563 0.0987 -0.0675 -0.0012 323 SER A CB 2213 O OG . SER A 292 ? 0.4414 0.5215 0.5934 0.1056 -0.0895 0.0124 323 SER A OG 2214 N N . PRO A 293 ? 0.4457 0.4689 0.5895 0.1167 -0.0648 0.0053 324 PRO A N 2215 C CA . PRO A 293 ? 0.4358 0.4461 0.5435 0.1106 -0.0783 0.0198 324 PRO A CA 2216 C C . PRO A 293 ? 0.4182 0.4156 0.4872 0.0982 -0.0671 0.0154 324 PRO A C 2217 O O . PRO A 293 ? 0.3979 0.3929 0.4669 0.0953 -0.0506 0.0018 324 PRO A O 2218 C CB . PRO A 293 ? 0.4632 0.4528 0.5799 0.1211 -0.0892 0.0318 324 PRO A CB 2219 C CG . PRO A 293 ? 0.4802 0.4674 0.6358 0.1325 -0.0782 0.0209 324 PRO A CG 2220 C CD . PRO A 293 ? 0.4662 0.4719 0.6313 0.1274 -0.0593 0.0022 324 PRO A CD 2221 N N . PHE A 294 ? 0.3964 0.3868 0.4332 0.0910 -0.0758 0.0260 325 PHE A N 2222 C CA . PHE A 294 ? 0.4148 0.3946 0.4182 0.0800 -0.0669 0.0230 325 PHE A CA 2223 C C . PHE A 294 ? 0.4135 0.3698 0.4166 0.0817 -0.0611 0.0222 325 PHE A C 2224 O O . PHE A 294 ? 0.4332 0.3772 0.4499 0.0897 -0.0682 0.0303 325 PHE A O 2225 C CB . PHE A 294 ? 0.4173 0.3947 0.3898 0.0730 -0.0768 0.0348 325 PHE A CB 2226 C CG . PHE A 294 ? 0.4193 0.4157 0.3836 0.0678 -0.0799 0.0331 325 PHE A CG 2227 C CD1 . PHE A 294 ? 0.4427 0.4581 0.4295 0.0698 -0.0769 0.0245 325 PHE A CD1 2228 C CD2 . PHE A 294 ? 0.4244 0.4188 0.3592 0.0607 -0.0851 0.0400 325 PHE A CD2 2229 C CE1 . PHE A 294 ? 0.4293 0.4600 0.4088 0.0639 -0.0798 0.0231 325 PHE A CE1 2230 C CE2 . PHE A 294 ? 0.4544 0.4637 0.3814 0.0558 -0.0879 0.0376 325 PHE A CE2 2231 C CZ . PHE A 294 ? 0.4216 0.4482 0.3711 0.0572 -0.0857 0.0294 325 PHE A CZ 2232 N N . PRO A 295 ? 0.4118 0.3612 0.3988 0.0738 -0.0493 0.0127 326 PRO A N 2233 C CA . PRO A 295 ? 0.4054 0.3318 0.3898 0.0726 -0.0440 0.0106 326 PRO A CA 2234 C C . PRO A 295 ? 0.4242 0.3327 0.4013 0.0736 -0.0545 0.0274 326 PRO A C 2235 O O . PRO A 295 ? 0.4024 0.3156 0.3613 0.0699 -0.0630 0.0388 326 PRO A O 2236 C CB . PRO A 295 ? 0.3966 0.3239 0.3560 0.0608 -0.0362 0.0029 326 PRO A CB 2237 C CG . PRO A 295 ? 0.3993 0.3489 0.3540 0.0584 -0.0330 -0.0037 326 PRO A CG 2238 C CD . PRO A 295 ? 0.3884 0.3516 0.3614 0.0658 -0.0405 0.0022 326 PRO A CD 2239 N N . GLU A 296 ? 0.4363 0.3227 0.4265 0.0786 -0.0529 0.0285 327 GLU A N 2240 C CA . GLU A 296 ? 0.4356 0.2990 0.4165 0.0779 -0.0598 0.0441 327 GLU A CA 2241 C C . GLU A 296 ? 0.4317 0.2934 0.3804 0.0643 -0.0591 0.0503 327 GLU A C 2242 O O . GLU A 296 ? 0.4434 0.2975 0.3759 0.0624 -0.0671 0.0667 327 GLU A O 2243 C CB . GLU A 296 ? 0.4590 0.2964 0.4559 0.0813 -0.0530 0.0389 327 GLU A CB 2244 C CG . GLU A 296 ? 0.4853 0.2955 0.4714 0.0783 -0.0572 0.0542 327 GLU A CG 2245 C CD . GLU A 296 ? 0.5003 0.3072 0.4857 0.0871 -0.0730 0.0753 327 GLU A CD 2246 O OE1 . GLU A 296 ? 0.4979 0.3166 0.5062 0.0997 -0.0800 0.0751 327 GLU A OE1 2247 O OE2 . GLU A 296 ? 0.5169 0.3096 0.4793 0.0813 -0.0782 0.0917 327 GLU A OE2 2248 N N . VAL A 297 ? 0.4159 0.2851 0.3554 0.0551 -0.0494 0.0374 328 VAL A N 2249 C CA . VAL A 297 ? 0.4190 0.2889 0.3340 0.0429 -0.0473 0.0411 328 VAL A CA 2250 C C . VAL A 297 ? 0.4088 0.2989 0.3060 0.0396 -0.0514 0.0452 328 VAL A C 2251 O O . VAL A 297 ? 0.4097 0.3025 0.2900 0.0305 -0.0482 0.0462 328 VAL A O 2252 C CB . VAL A 297 ? 0.4147 0.2867 0.3268 0.0340 -0.0372 0.0252 328 VAL A CB 2253 C CG1 . VAL A 297 ? 0.4241 0.2737 0.3492 0.0333 -0.0318 0.0185 328 VAL A CG1 2254 C CG2 . VAL A 297 ? 0.3811 0.2746 0.2942 0.0356 -0.0341 0.0121 328 VAL A CG2 2255 N N . TRP A 298 ? 0.4111 0.3161 0.3140 0.0465 -0.0576 0.0461 329 TRP A N 2256 C CA . TRP A 298 ? 0.3838 0.3073 0.2711 0.0429 -0.0601 0.0466 329 TRP A CA 2257 C C . TRP A 298 ? 0.3954 0.3141 0.2590 0.0372 -0.0641 0.0591 329 TRP A C 2258 O O . TRP A 298 ? 0.4208 0.3275 0.2801 0.0405 -0.0720 0.0726 329 TRP A O 2259 C CB . TRP A 298 ? 0.3800 0.3180 0.2812 0.0509 -0.0673 0.0463 329 TRP A CB 2260 C CG . TRP A 298 ? 0.3725 0.3271 0.2601 0.0474 -0.0707 0.0463 329 TRP A CG 2261 C CD1 . TRP A 298 ? 0.3602 0.3289 0.2443 0.0434 -0.0640 0.0357 329 TRP A CD1 2262 C CD2 . TRP A 298 ? 0.3627 0.3198 0.2362 0.0473 -0.0817 0.0572 329 TRP A CD2 2263 N NE1 . TRP A 298 ? 0.3774 0.3563 0.2493 0.0411 -0.0697 0.0390 329 TRP A NE1 2264 C CE2 . TRP A 298 ? 0.3524 0.3250 0.2166 0.0430 -0.0804 0.0512 329 TRP A CE2 2265 C CE3 . TRP A 298 ? 0.4138 0.3596 0.2789 0.0501 -0.0926 0.0717 329 TRP A CE3 2266 C CZ2 . TRP A 298 ? 0.3780 0.3557 0.2261 0.0410 -0.0895 0.0572 329 TRP A CZ2 2267 C CZ3 . TRP A 298 ? 0.3820 0.3338 0.2294 0.0484 -0.1023 0.0782 329 TRP A CZ3 2268 C CH2 . TRP A 298 ? 0.3696 0.3374 0.2083 0.0434 -0.1003 0.0700 329 TRP A CH2 2269 N N . HIS A 299 ? 0.3882 0.3160 0.2359 0.0291 -0.0584 0.0549 330 HIS A N 2270 C CA . HIS A 299 ? 0.3810 0.3063 0.2056 0.0229 -0.0586 0.0643 330 HIS A CA 2271 C C . HIS A 299 ? 0.3941 0.2990 0.2136 0.0191 -0.0565 0.0746 330 HIS A C 2272 O O . HIS A 299 ? 0.4146 0.3096 0.2164 0.0175 -0.0600 0.0880 330 HIS A O 2273 C CB . HIS A 299 ? 0.3724 0.3050 0.1841 0.0257 -0.0678 0.0709 330 HIS A CB 2274 C CG . HIS A 299 ? 0.3800 0.3312 0.1906 0.0254 -0.0671 0.0612 330 HIS A CG 2275 N ND1 . HIS A 299 ? 0.3673 0.3252 0.1642 0.0254 -0.0738 0.0644 330 HIS A ND1 2276 C CD2 . HIS A 299 ? 0.3303 0.2926 0.1499 0.0245 -0.0607 0.0490 330 HIS A CD2 2277 C CE1 . HIS A 299 ? 0.3643 0.3359 0.1641 0.0245 -0.0710 0.0545 330 HIS A CE1 2278 N NE2 . HIS A 299 ? 0.3206 0.2948 0.1327 0.0242 -0.0631 0.0460 330 HIS A NE2 2279 N N . THR A 300 ? 0.3951 0.2920 0.2288 0.0170 -0.0503 0.0681 331 THR A N 2280 C CA . THR A 300 ? 0.4166 0.2942 0.2483 0.0107 -0.0454 0.0748 331 THR A CA 2281 C C . THR A 300 ? 0.4180 0.3000 0.2570 0.0019 -0.0359 0.0626 331 THR A C 2282 O O . THR A 300 ? 0.4193 0.3129 0.2682 0.0033 -0.0346 0.0487 331 THR A O 2283 C CB . THR A 300 ? 0.4366 0.2939 0.2841 0.0184 -0.0499 0.0796 331 THR A CB 2284 O OG1 . THR A 300 ? 0.5482 0.3832 0.3850 0.0149 -0.0501 0.0951 331 THR A OG1 2285 C CG2 . THR A 300 ? 0.4328 0.2854 0.3000 0.0178 -0.0437 0.0656 331 THR A CG2 2286 N N . MET A 301 ? 0.4597 0.3304 0.2949 -0.0074 -0.0297 0.0679 332 MET A N 2287 C CA . MET A 301 ? 0.4489 0.3249 0.2928 -0.0172 -0.0222 0.0571 332 MET A CA 2288 C C . MET A 301 ? 0.4444 0.3140 0.3057 -0.0162 -0.0219 0.0444 332 MET A C 2289 O O . MET A 301 ? 0.4341 0.3127 0.3020 -0.0230 -0.0185 0.0323 332 MET A O 2290 C CB . MET A 301 ? 0.4570 0.3200 0.2972 -0.0279 -0.0151 0.0661 332 MET A CB 2291 C CG . MET A 301 ? 0.5190 0.3924 0.3411 -0.0315 -0.0117 0.0745 332 MET A CG 2292 S SD . MET A 301 ? 0.5607 0.4672 0.3846 -0.0322 -0.0101 0.0607 332 MET A SD 2293 C CE . MET A 301 ? 0.5491 0.4555 0.3486 -0.0352 -0.0048 0.0747 332 MET A CE 2294 N N . ASP A 302 ? 0.4585 0.3122 0.3272 -0.0075 -0.0257 0.0473 333 ASP A N 2295 C CA . ASP A 302 ? 0.4455 0.2905 0.3301 -0.0040 -0.0247 0.0349 333 ASP A CA 2296 C C . ASP A 302 ? 0.4489 0.3129 0.3365 0.0015 -0.0256 0.0207 333 ASP A C 2297 O O . ASP A 302 ? 0.4405 0.2983 0.3388 0.0033 -0.0229 0.0079 333 ASP A O 2298 C CB . ASP A 302 ? 0.4703 0.2907 0.3648 0.0044 -0.0276 0.0434 333 ASP A CB 2299 C CG . ASP A 302 ? 0.4899 0.2855 0.3823 -0.0030 -0.0246 0.0552 333 ASP A CG 2300 O OD1 . ASP A 302 ? 0.4933 0.2805 0.3925 -0.0128 -0.0183 0.0466 333 ASP A OD1 2301 O OD2 . ASP A 302 ? 0.5426 0.3264 0.4252 0.0001 -0.0288 0.0733 333 ASP A OD2 2302 N N . ASP A 303 ? 0.4394 0.3244 0.3165 0.0036 -0.0285 0.0223 334 ASP A N 2303 C CA . ASP A 303 ? 0.4372 0.3376 0.3155 0.0075 -0.0281 0.0098 334 ASP A CA 2304 C C . ASP A 303 ? 0.4397 0.3482 0.3142 -0.0012 -0.0247 -0.0022 334 ASP A C 2305 O O . ASP A 303 ? 0.4429 0.3679 0.3077 -0.0043 -0.0258 -0.0018 334 ASP A O 2306 C CB . ASP A 303 ? 0.4127 0.3305 0.2821 0.0122 -0.0321 0.0147 334 ASP A CB 2307 C CG . ASP A 303 ? 0.4465 0.3768 0.3182 0.0165 -0.0306 0.0036 334 ASP A CG 2308 O OD1 . ASP A 303 ? 0.4811 0.4083 0.3572 0.0151 -0.0260 -0.0088 334 ASP A OD1 2309 O OD2 . ASP A 303 ? 0.4472 0.3895 0.3153 0.0206 -0.0336 0.0071 334 ASP A OD2 2310 N N . ASN A 304 ? 0.4398 0.3363 0.3222 -0.0048 -0.0215 -0.0128 335 ASN A N 2311 C CA . ASN A 304 ? 0.4365 0.3383 0.3167 -0.0151 -0.0205 -0.0233 335 ASN A CA 2312 C C . ASN A 304 ? 0.4429 0.3412 0.3235 -0.0149 -0.0185 -0.0403 335 ASN A C 2313 O O . ASN A 304 ? 0.4468 0.3392 0.3308 -0.0068 -0.0158 -0.0440 335 ASN A O 2314 C CB . ASN A 304 ? 0.4410 0.3302 0.3282 -0.0249 -0.0187 -0.0190 335 ASN A CB 2315 C CG . ASN A 304 ? 0.4625 0.3243 0.3610 -0.0235 -0.0157 -0.0188 335 ASN A CG 2316 O OD1 . ASN A 304 ? 0.4695 0.3229 0.3728 -0.0172 -0.0144 -0.0280 335 ASN A OD1 2317 N ND2 . ASN A 304 ? 0.4907 0.3375 0.3934 -0.0294 -0.0138 -0.0080 335 ASN A ND2 2318 N N . GLU A 305 ? 0.4515 0.3540 0.3289 -0.0239 -0.0197 -0.0512 336 GLU A N 2319 C CA . GLU A 305 ? 0.4713 0.3702 0.3434 -0.0245 -0.0181 -0.0681 336 GLU A CA 2320 C C . GLU A 305 ? 0.5138 0.3879 0.3974 -0.0225 -0.0123 -0.0744 336 GLU A C 2321 O O . GLU A 305 ? 0.5125 0.3813 0.3933 -0.0174 -0.0077 -0.0859 336 GLU A O 2322 C CB . GLU A 305 ? 0.4661 0.3726 0.3329 -0.0357 -0.0227 -0.0786 336 GLU A CB 2323 C CG . GLU A 305 ? 0.5252 0.4311 0.3781 -0.0361 -0.0226 -0.0952 336 GLU A CG 2324 C CD . GLU A 305 ? 0.5568 0.4702 0.4037 -0.0474 -0.0300 -0.1063 336 GLU A CD 2325 O OE1 . GLU A 305 ? 0.5944 0.5214 0.4485 -0.0532 -0.0361 -0.1001 336 GLU A OE1 2326 O OE2 . GLU A 305 ? 0.5997 0.5060 0.4354 -0.0504 -0.0299 -0.1217 336 GLU A OE2 2327 N N . GLU A 306 ? 0.5350 0.3931 0.4313 -0.0263 -0.0117 -0.0669 337 GLU A N 2328 C CA . GLU A 306 ? 0.5831 0.4137 0.4919 -0.0261 -0.0067 -0.0731 337 GLU A CA 2329 C C . GLU A 306 ? 0.5782 0.4004 0.4946 -0.0117 -0.0028 -0.0712 337 GLU A C 2330 O O . GLU A 306 ? 0.5957 0.4022 0.5188 -0.0083 0.0029 -0.0839 337 GLU A O 2331 C CB . GLU A 306 ? 0.6024 0.4169 0.5217 -0.0330 -0.0067 -0.0611 337 GLU A CB 2332 C CG . GLU A 306 ? 0.6940 0.4799 0.6247 -0.0387 -0.0023 -0.0713 337 GLU A CG 2333 C CD . GLU A 306 ? 0.8063 0.5688 0.7481 -0.0428 -0.0005 -0.0564 337 GLU A CD 2334 O OE1 . GLU A 306 ? 0.8256 0.5598 0.7782 -0.0448 0.0037 -0.0630 337 GLU A OE1 2335 O OE2 . GLU A 306 ? 0.8572 0.6275 0.7956 -0.0443 -0.0024 -0.0384 337 GLU A OE2 2336 N N . ASN A 307 ? 0.5519 0.3864 0.4679 -0.0034 -0.0060 -0.0562 338 ASN A N 2337 C CA . ASN A 307 ? 0.5380 0.3685 0.4658 0.0105 -0.0047 -0.0509 338 ASN A CA 2338 C C . ASN A 307 ? 0.5186 0.3658 0.4433 0.0173 -0.0012 -0.0604 338 ASN A C 2339 O O . ASN A 307 ? 0.5076 0.3586 0.4443 0.0283 -0.0003 -0.0565 338 ASN A O 2340 C CB . ASN A 307 ? 0.5313 0.3635 0.4609 0.0148 -0.0112 -0.0297 338 ASN A CB 2341 C CG . ASN A 307 ? 0.5692 0.3777 0.5041 0.0102 -0.0119 -0.0199 338 ASN A CG 2342 O OD1 . ASN A 307 ? 0.6082 0.4184 0.5345 0.0043 -0.0151 -0.0064 338 ASN A OD1 2343 N ND2 . ASN A 307 ? 0.6019 0.3864 0.5502 0.0118 -0.0074 -0.0276 338 ASN A ND2 2344 N N . LEU A 308 ? 0.5116 0.3679 0.4210 0.0101 0.0011 -0.0737 339 LEU A N 2345 C CA . LEU A 308 ? 0.4987 0.3701 0.3997 0.0140 0.0052 -0.0814 339 LEU A CA 2346 C C . LEU A 308 ? 0.5114 0.3687 0.4171 0.0160 0.0148 -0.0990 339 LEU A C 2347 O O . LEU A 308 ? 0.5287 0.3679 0.4359 0.0104 0.0162 -0.1079 339 LEU A O 2348 C CB . LEU A 308 ? 0.4868 0.3744 0.3648 0.0054 0.0016 -0.0847 339 LEU A CB 2349 C CG . LEU A 308 ? 0.4562 0.3619 0.3252 0.0034 -0.0060 -0.0712 339 LEU A CG 2350 C CD1 . LEU A 308 ? 0.4302 0.3473 0.2785 -0.0036 -0.0084 -0.0791 339 LEU A CD1 2351 C CD2 . LEU A 308 ? 0.4456 0.3631 0.3190 0.0124 -0.0058 -0.0612 339 LEU A CD2 2352 N N . ASP A 309 ? 0.5095 0.3751 0.4171 0.0231 0.0224 -0.1052 340 ASP A N 2353 C CA . ASP A 309 ? 0.5260 0.3790 0.4362 0.0251 0.0342 -0.1240 340 ASP A CA 2354 C C . ASP A 309 ? 0.5374 0.3990 0.4220 0.0199 0.0412 -0.1385 340 ASP A C 2355 O O . ASP A 309 ? 0.5248 0.4017 0.4052 0.0234 0.0457 -0.1367 340 ASP A O 2356 C CB . ASP A 309 ? 0.5225 0.3720 0.4621 0.0388 0.0407 -0.1224 340 ASP A CB 2357 C CG . ASP A 309 ? 0.5601 0.3948 0.5061 0.0420 0.0546 -0.1425 340 ASP A CG 2358 O OD1 . ASP A 309 ? 0.5963 0.4424 0.5422 0.0461 0.0653 -0.1508 340 ASP A OD1 2359 O OD2 . ASP A 309 ? 0.5582 0.3696 0.5066 0.0388 0.0560 -0.1514 340 ASP A OD2 2360 N N . GLU A 310 ? 0.5747 0.4247 0.4412 0.0107 0.0421 -0.1531 341 GLU A N 2361 C CA . GLU A 310 ? 0.5949 0.4494 0.4316 0.0045 0.0470 -0.1669 341 GLU A CA 2362 C C . GLU A 310 ? 0.5960 0.4551 0.4301 0.0110 0.0627 -0.1756 341 GLU A C 2363 O O . GLU A 310 ? 0.5877 0.4619 0.4034 0.0097 0.0641 -0.1719 341 GLU A O 2364 C CB . GLU A 310 ? 0.6345 0.4705 0.4579 -0.0049 0.0468 -0.1847 341 GLU A CB 2365 C CG . GLU A 310 ? 0.7032 0.5404 0.4921 -0.0110 0.0522 -0.2006 341 GLU A CG 2366 C CD . GLU A 310 ? 0.8048 0.6248 0.5774 -0.0216 0.0500 -0.2195 341 GLU A CD 2367 O OE1 . GLU A 310 ? 0.8257 0.6403 0.6084 -0.0281 0.0388 -0.2165 341 GLU A OE1 2368 O OE2 . GLU A 310 ? 0.8474 0.6594 0.5959 -0.0244 0.0597 -0.2379 341 GLU A OE2 2369 N N . SER A 311 ? 0.6194 0.4648 0.4724 0.0178 0.0753 -0.1874 342 SER A N 2370 C CA . SER A 311 ? 0.6268 0.4764 0.4810 0.0237 0.0932 -0.1982 342 SER A CA 2371 C C . SER A 311 ? 0.5987 0.4704 0.4699 0.0313 0.0953 -0.1840 342 SER A C 2372 O O . SER A 311 ? 0.6005 0.4821 0.4583 0.0302 0.1065 -0.1889 342 SER A O 2373 C CB . SER A 311 ? 0.6498 0.4802 0.5274 0.0309 0.1061 -0.2135 342 SER A CB 2374 O OG . SER A 311 ? 0.7127 0.5219 0.5726 0.0220 0.1036 -0.2276 342 SER A OG 2375 N N . THR A 312 ? 0.5670 0.4453 0.4661 0.0379 0.0847 -0.1667 343 THR A N 2376 C CA . THR A 312 ? 0.5400 0.4396 0.4557 0.0439 0.0828 -0.1524 343 THR A CA 2377 C C . THR A 312 ? 0.5360 0.4502 0.4204 0.0354 0.0793 -0.1462 343 THR A C 2378 O O . THR A 312 ? 0.5172 0.4453 0.4001 0.0360 0.0880 -0.1457 343 THR A O 2379 C CB . THR A 312 ? 0.5159 0.4168 0.4553 0.0493 0.0669 -0.1336 343 THR A CB 2380 O OG1 . THR A 312 ? 0.5347 0.4190 0.5022 0.0578 0.0689 -0.1372 343 THR A OG1 2381 C CG2 . THR A 312 ? 0.4930 0.4155 0.4488 0.0547 0.0629 -0.1198 343 THR A CG2 2382 N N . ILE A 313 ? 0.5298 0.4403 0.3909 0.0273 0.0665 -0.1412 344 ILE A N 2383 C CA . ILE A 313 ? 0.5186 0.4405 0.3523 0.0206 0.0607 -0.1341 344 ILE A CA 2384 C C . ILE A 313 ? 0.5286 0.4476 0.3310 0.0147 0.0717 -0.1474 344 ILE A C 2385 O O . ILE A 313 ? 0.5256 0.4549 0.3126 0.0127 0.0752 -0.1427 344 ILE A O 2386 C CB . ILE A 313 ? 0.5042 0.4246 0.3253 0.0144 0.0446 -0.1262 344 ILE A CB 2387 C CG1 . ILE A 313 ? 0.4876 0.4116 0.3342 0.0192 0.0345 -0.1106 344 ILE A CG1 2388 C CG2 . ILE A 313 ? 0.5184 0.4499 0.3114 0.0088 0.0396 -0.1202 344 ILE A CG2 2389 C CD1 . ILE A 313 ? 0.4663 0.3855 0.3058 0.0126 0.0220 -0.1057 344 ILE A CD1 2390 N N . ASP A 314 ? 0.5507 0.4541 0.3410 0.0112 0.0767 -0.1636 345 ASP A N 2391 C CA . ASP A 314 ? 0.5684 0.4670 0.3261 0.0057 0.0883 -0.1774 345 ASP A CA 2392 C C . ASP A 314 ? 0.5796 0.4865 0.3492 0.0112 0.1068 -0.1795 345 ASP A C 2393 O O . ASP A 314 ? 0.5864 0.4997 0.3321 0.0071 0.1132 -0.1776 345 ASP A O 2394 C CB . ASP A 314 ? 0.5930 0.4722 0.3415 0.0022 0.0928 -0.1968 345 ASP A CB 2395 C CG . ASP A 314 ? 0.6284 0.5006 0.3343 -0.0052 0.1024 -0.2116 345 ASP A CG 2396 O OD1 . ASP A 314 ? 0.6094 0.4897 0.2847 -0.0104 0.0974 -0.2040 345 ASP A OD1 2397 O OD2 . ASP A 314 ? 0.7156 0.5728 0.4175 -0.0056 0.1154 -0.2310 345 ASP A OD2 2398 N N . ASN A 315 ? 0.5772 0.4848 0.3863 0.0205 0.1148 -0.1819 346 ASN A N 2399 C CA . ASN A 315 ? 0.5886 0.5065 0.4161 0.0259 0.1334 -0.1859 346 ASN A CA 2400 C C . ASN A 315 ? 0.5589 0.4962 0.3873 0.0247 0.1307 -0.1701 346 ASN A C 2401 O O . ASN A 315 ? 0.5700 0.5137 0.3865 0.0215 0.1456 -0.1734 346 ASN A O 2402 C CB . ASN A 315 ? 0.5865 0.5052 0.4642 0.0381 0.1380 -0.1880 346 ASN A CB 2403 C CG . ASN A 315 ? 0.6396 0.5383 0.5225 0.0411 0.1485 -0.2073 346 ASN A CG 2404 O OD1 . ASN A 315 ? 0.6835 0.5666 0.5316 0.0332 0.1524 -0.2212 346 ASN A OD1 2405 N ND2 . ASN A 315 ? 0.6688 0.5670 0.5965 0.0531 0.1523 -0.2086 346 ASN A ND2 2406 N N . LEU A 316 ? 0.5239 0.4694 0.3669 0.0269 0.1129 -0.1533 347 LEU A N 2407 C CA . LEU A 316 ? 0.4999 0.4623 0.3479 0.0261 0.1090 -0.1389 347 LEU A CA 2408 C C . LEU A 316 ? 0.4990 0.4603 0.3038 0.0166 0.1083 -0.1354 347 LEU A C 2409 O O . LEU A 316 ? 0.4859 0.4573 0.2884 0.0143 0.1134 -0.1287 347 LEU A O 2410 C CB . LEU A 316 ? 0.4551 0.4240 0.3254 0.0306 0.0898 -0.1230 347 LEU A CB 2411 C CG . LEU A 316 ? 0.4385 0.4112 0.3538 0.0412 0.0883 -0.1214 347 LEU A CG 2412 C CD1 . LEU A 316 ? 0.3885 0.3608 0.3144 0.0440 0.0679 -0.1061 347 LEU A CD1 2413 C CD2 . LEU A 316 ? 0.4124 0.4039 0.3548 0.0449 0.0973 -0.1197 347 LEU A CD2 2414 N N . ASN A 317 ? 0.5153 0.4641 0.2873 0.0110 0.1006 -0.1391 348 ASN A N 2415 C CA . ASN A 317 ? 0.5407 0.4868 0.2700 0.0030 0.0987 -0.1360 348 ASN A CA 2416 C C . ASN A 317 ? 0.5552 0.4993 0.2663 -0.0005 0.1204 -0.1451 348 ASN A C 2417 O O . ASN A 317 ? 0.5515 0.4980 0.2405 -0.0052 0.1234 -0.1375 348 ASN A O 2418 C CB . ASN A 317 ? 0.5593 0.4931 0.2585 -0.0022 0.0869 -0.1417 348 ASN A CB 2419 C CG . ASN A 317 ? 0.5514 0.4898 0.2588 -0.0017 0.0655 -0.1293 348 ASN A CG 2420 O OD1 . ASN A 317 ? 0.4940 0.4431 0.2190 0.0016 0.0593 -0.1154 348 ASN A OD1 2421 N ND2 . ASN A 317 ? 0.5726 0.5030 0.2667 -0.0058 0.0549 -0.1353 348 ASN A ND2 2422 N N . LYS A 318 ? 0.5763 0.5155 0.2997 0.0021 0.1364 -0.1607 349 LYS A N 2423 C CA . LYS A 318 ? 0.6334 0.5683 0.3351 -0.0021 0.1594 -0.1724 349 LYS A CA 2424 C C . LYS A 318 ? 0.6312 0.5826 0.3633 0.0004 0.1738 -0.1667 349 LYS A C 2425 O O . LYS A 318 ? 0.6481 0.6006 0.3584 -0.0059 0.1874 -0.1653 349 LYS A O 2426 C CB . LYS A 318 ? 0.6393 0.5617 0.3423 -0.0003 0.1718 -0.1932 349 LYS A CB 2427 C CG . LYS A 318 ? 0.6593 0.5661 0.3369 -0.0039 0.1561 -0.1995 349 LYS A CG 2428 C CD . LYS A 318 ? 0.7001 0.5933 0.3874 -0.0011 0.1688 -0.2210 349 LYS A CD 2429 C CE . LYS A 318 ? 0.6718 0.5460 0.3111 -0.0100 0.1658 -0.2357 349 LYS A CE 2430 N NZ . LYS A 318 ? 0.6942 0.5538 0.3504 -0.0068 0.1711 -0.2540 349 LYS A NZ 2431 N N . ILE A 319 ? 0.6115 0.5756 0.3939 0.0090 0.1691 -0.1626 350 ILE A N 2432 C CA . ILE A 319 ? 0.5928 0.5760 0.4110 0.0116 0.1778 -0.1565 350 ILE A CA 2433 C C . ILE A 319 ? 0.5754 0.5630 0.3724 0.0045 0.1691 -0.1403 350 ILE A C 2434 O O . ILE A 319 ? 0.6127 0.6046 0.4001 -0.0017 0.1842 -0.1389 350 ILE A O 2435 C CB . ILE A 319 ? 0.5651 0.5597 0.4368 0.0225 0.1679 -0.1530 350 ILE A CB 2436 C CG1 . ILE A 319 ? 0.5837 0.5719 0.4770 0.0300 0.1805 -0.1700 350 ILE A CG1 2437 C CG2 . ILE A 319 ? 0.5504 0.5670 0.4586 0.0242 0.1705 -0.1446 350 ILE A CG2 2438 C CD1 . ILE A 319 ? 0.5887 0.5822 0.5309 0.0422 0.1690 -0.1668 350 ILE A CD1 2439 N N . LEU A 320 ? 0.5382 0.5219 0.3237 0.0047 0.1465 -0.1291 351 LEU A N 2440 C CA . LEU A 320 ? 0.5233 0.5093 0.2915 -0.0002 0.1359 -0.1139 351 LEU A CA 2441 C C . LEU A 320 ? 0.5511 0.5259 0.2714 -0.0091 0.1434 -0.1123 351 LEU A C 2442 O O . LEU A 320 ? 0.5461 0.5247 0.2616 -0.0137 0.1479 -0.1031 351 LEU A O 2443 C CB . LEU A 320 ? 0.5009 0.4850 0.2691 0.0028 0.1115 -0.1042 351 LEU A CB 2444 C CG . LEU A 320 ? 0.5051 0.4908 0.2566 -0.0013 0.1015 -0.0895 351 LEU A CG 2445 C CD1 . LEU A 320 ? 0.5178 0.5181 0.3023 -0.0001 0.1039 -0.0828 351 LEU A CD1 2446 C CD2 . LEU A 320 ? 0.4454 0.4266 0.1850 0.0001 0.0804 -0.0819 351 LEU A CD2 2447 N N . GLN A 321 ? 0.5758 0.5360 0.2601 -0.0118 0.1445 -0.1212 352 GLN A N 2448 C CA . GLN A 321 ? 0.6212 0.5686 0.2544 -0.0199 0.1497 -0.1193 352 GLN A CA 2449 C C . GLN A 321 ? 0.6487 0.5958 0.2741 -0.0254 0.1765 -0.1245 352 GLN A C 2450 O O . GLN A 321 ? 0.6590 0.5999 0.2544 -0.0323 0.1818 -0.1153 352 GLN A O 2451 C CB . GLN A 321 ? 0.6467 0.5794 0.2437 -0.0219 0.1423 -0.1290 352 GLN A CB 2452 C CG . GLN A 321 ? 0.6400 0.5739 0.2413 -0.0186 0.1153 -0.1210 352 GLN A CG 2453 C CD . GLN A 321 ? 0.6745 0.5977 0.2535 -0.0204 0.1058 -0.1323 352 GLN A CD 2454 O OE1 . GLN A 321 ? 0.6319 0.5431 0.1767 -0.0254 0.1152 -0.1442 352 GLN A OE1 2455 N NE2 . GLN A 321 ? 0.6401 0.5674 0.2388 -0.0169 0.0871 -0.1291 352 GLN A NE2 2456 N N . VAL A 322 ? 0.6503 0.6036 0.3040 -0.0222 0.1939 -0.1389 353 VAL A N 2457 C CA . VAL A 322 ? 0.6554 0.6133 0.3142 -0.0265 0.2223 -0.1456 353 VAL A CA 2458 C C . VAL A 322 ? 0.6361 0.6097 0.3258 -0.0281 0.2236 -0.1322 353 VAL A C 2459 O O . VAL A 322 ? 0.6540 0.6246 0.3234 -0.0366 0.2378 -0.1268 353 VAL A O 2460 C CB . VAL A 322 ? 0.6598 0.6236 0.3528 -0.0202 0.2388 -0.1644 353 VAL A CB 2461 C CG1 . VAL A 322 ? 0.6768 0.6531 0.3934 -0.0229 0.2675 -0.1703 353 VAL A CG1 2462 C CG2 . VAL A 322 ? 0.7014 0.6460 0.3560 -0.0216 0.2432 -0.1805 353 VAL A CG2 2463 N N . PHE A 323 ? 0.5846 0.5733 0.3203 -0.0207 0.2080 -0.1263 354 PHE A N 2464 C CA . PHE A 323 ? 0.5590 0.5632 0.3260 -0.0224 0.2069 -0.1154 354 PHE A CA 2465 C C . PHE A 323 ? 0.5717 0.5645 0.2998 -0.0309 0.2022 -0.1013 354 PHE A C 2466 O O . PHE A 323 ? 0.5915 0.5883 0.3235 -0.0382 0.2150 -0.0959 354 PHE A O 2467 C CB . PHE A 323 ? 0.5165 0.5329 0.3229 -0.0136 0.1838 -0.1090 354 PHE A CB 2468 C CG . PHE A 323 ? 0.4918 0.5241 0.3299 -0.0157 0.1804 -0.0994 354 PHE A CG 2469 C CD1 . PHE A 323 ? 0.4664 0.5196 0.3555 -0.0127 0.1897 -0.1049 354 PHE A CD1 2470 C CD2 . PHE A 323 ? 0.4764 0.5027 0.2940 -0.0208 0.1681 -0.0856 354 PHE A CD2 2471 C CE1 . PHE A 323 ? 0.4591 0.5274 0.3764 -0.0160 0.1855 -0.0972 354 PHE A CE1 2472 C CE2 . PHE A 323 ? 0.4335 0.4725 0.2780 -0.0241 0.1655 -0.0783 354 PHE A CE2 2473 C CZ . PHE A 323 ? 0.4415 0.5014 0.3344 -0.0225 0.1733 -0.0840 354 PHE A CZ 2474 N N . VAL A 324 ? 0.5782 0.5566 0.2708 -0.0299 0.1836 -0.0952 355 VAL A N 2475 C CA . VAL A 324 ? 0.5850 0.5515 0.2431 -0.0352 0.1742 -0.0805 355 VAL A CA 2476 C C . VAL A 324 ? 0.6409 0.5922 0.2549 -0.0444 0.1924 -0.0798 355 VAL A C 2477 O O . VAL A 324 ? 0.6801 0.6279 0.2868 -0.0510 0.1989 -0.0693 355 VAL A O 2478 C CB . VAL A 324 ? 0.5869 0.5450 0.2248 -0.0304 0.1488 -0.0747 355 VAL A CB 2479 C CG1 . VAL A 324 ? 0.5881 0.5289 0.1779 -0.0353 0.1420 -0.0625 355 VAL A CG1 2480 C CG2 . VAL A 324 ? 0.4826 0.4540 0.1600 -0.0239 0.1313 -0.0688 355 VAL A CG2 2481 N N . LEU A 325 ? 0.6636 0.6047 0.2469 -0.0456 0.2013 -0.0910 356 LEU A N 2482 C CA . LEU A 325 ? 0.7114 0.6370 0.2485 -0.0552 0.2219 -0.0917 356 LEU A CA 2483 C C . LEU A 325 ? 0.7225 0.6567 0.2809 -0.0622 0.2499 -0.0931 356 LEU A C 2484 O O . LEU A 325 ? 0.7388 0.6605 0.2650 -0.0718 0.2632 -0.0845 356 LEU A O 2485 C CB . LEU A 325 ? 0.7291 0.6450 0.2370 -0.0551 0.2292 -0.1078 356 LEU A CB 2486 C CG . LEU A 325 ? 0.7426 0.6453 0.2130 -0.0524 0.2054 -0.1074 356 LEU A CG 2487 C CD1 . LEU A 325 ? 0.8090 0.6982 0.2396 -0.0562 0.2184 -0.1246 356 LEU A CD1 2488 C CD2 . LEU A 325 ? 0.7294 0.6193 0.1621 -0.0555 0.1893 -0.0883 356 LEU A CD2 2489 N N . GLU A 326 ? 0.7013 0.6569 0.3156 -0.0576 0.2585 -0.1034 357 GLU A N 2490 C CA . GLU A 326 ? 0.7111 0.6800 0.3552 -0.0637 0.2854 -0.1073 357 GLU A CA 2491 C C . GLU A 326 ? 0.6894 0.6632 0.3496 -0.0694 0.2803 -0.0913 357 GLU A C 2492 O O . GLU A 326 ? 0.7249 0.6937 0.3723 -0.0803 0.2997 -0.0862 357 GLU A O 2493 C CB . GLU A 326 ? 0.6926 0.6841 0.3948 -0.0553 0.2939 -0.1234 357 GLU A CB 2494 C CG . GLU A 326 ? 0.7365 0.7188 0.4174 -0.0528 0.3091 -0.1418 357 GLU A CG 2495 C CD . GLU A 326 ? 0.7344 0.7367 0.4708 -0.0457 0.3266 -0.1592 357 GLU A CD 2496 O OE1 . GLU A 326 ? 0.6775 0.7014 0.4727 -0.0382 0.3165 -0.1570 357 GLU A OE1 2497 O OE2 . GLU A 326 ? 0.7211 0.7163 0.4404 -0.0471 0.3498 -0.1752 357 GLU A OE2 2498 N N . TYR A 327 ? 0.6429 0.6236 0.3266 -0.0627 0.2542 -0.0833 358 TYR A N 2499 C CA . TYR A 327 ? 0.6206 0.6027 0.3156 -0.0676 0.2463 -0.0692 358 TYR A CA 2500 C C . TYR A 327 ? 0.6498 0.6062 0.2900 -0.0764 0.2484 -0.0555 358 TYR A C 2501 O O . TYR A 327 ? 0.6685 0.6222 0.3117 -0.0860 0.2596 -0.0474 358 TYR A O 2502 C CB . TYR A 327 ? 0.5746 0.5633 0.2907 -0.0582 0.2167 -0.0639 358 TYR A CB 2503 C CG . TYR A 327 ? 0.5491 0.5478 0.2970 -0.0616 0.2105 -0.0557 358 TYR A CG 2504 C CD1 . TYR A 327 ? 0.5175 0.5412 0.3217 -0.0579 0.2081 -0.0618 358 TYR A CD1 2505 C CD2 . TYR A 327 ? 0.5491 0.5316 0.2709 -0.0686 0.2068 -0.0422 358 TYR A CD2 2506 C CE1 . TYR A 327 ? 0.5351 0.5685 0.3677 -0.0619 0.2012 -0.0557 358 TYR A CE1 2507 C CE2 . TYR A 327 ? 0.5844 0.5746 0.3354 -0.0728 0.2017 -0.0363 358 TYR A CE2 2508 C CZ . TYR A 327 ? 0.5676 0.5841 0.3737 -0.0699 0.1985 -0.0437 358 TYR A CZ 2509 O OH . TYR A 327 ? 0.5509 0.5761 0.3860 -0.0749 0.1921 -0.0394 358 TYR A OH 2510 N N . LEU A 328 ? 0.6569 0.5942 0.2484 -0.0732 0.2369 -0.0527 359 LEU A N 2511 C CA . LEU A 328 ? 0.6783 0.5894 0.2142 -0.0787 0.2334 -0.0384 359 LEU A CA 2512 C C . LEU A 328 ? 0.7304 0.6274 0.2262 -0.0887 0.2603 -0.0412 359 LEU A C 2513 O O . LEU A 328 ? 0.7604 0.6333 0.2050 -0.0946 0.2614 -0.0289 359 LEU A O 2514 C CB . LEU A 328 ? 0.6696 0.5697 0.1744 -0.0702 0.2069 -0.0350 359 LEU A CB 2515 C CG . LEU A 328 ? 0.6303 0.5411 0.1670 -0.0605 0.1796 -0.0306 359 LEU A CG 2516 C CD1 . LEU A 328 ? 0.6230 0.5227 0.1267 -0.0539 0.1564 -0.0268 359 LEU A CD1 2517 C CD2 . LEU A 328 ? 0.6089 0.5170 0.1587 -0.0642 0.1772 -0.0176 359 LEU A CD2 2518 N N . HIS A 329 ? 0.7337 0.6447 0.2517 -0.0904 0.2825 -0.0570 360 HIS A N 2519 C CA . HIS A 329 ? 0.8087 0.7063 0.2854 -0.0995 0.3101 -0.0625 360 HIS A CA 2520 C C . HIS A 329 ? 0.8504 0.7224 0.2588 -0.0984 0.2970 -0.0584 360 HIS A C 2521 O O . HIS A 329 ? 0.9023 0.7511 0.2598 -0.1061 0.3009 -0.0450 360 HIS A O 2522 C CB . HIS A 329 ? 0.8407 0.7301 0.3091 -0.1131 0.3319 -0.0511 360 HIS A CB 2523 C CG . HIS A 329 ? 0.8183 0.7334 0.3535 -0.1164 0.3445 -0.0547 360 HIS A CG 2524 N ND1 . HIS A 329 ? 0.8347 0.7543 0.3801 -0.1289 0.3773 -0.0573 360 HIS A ND1 2525 C CD2 . HIS A 329 ? 0.7885 0.7265 0.3829 -0.1096 0.3280 -0.0558 360 HIS A CD2 2526 C CE1 . HIS A 329 ? 0.8321 0.7780 0.4433 -0.1296 0.3796 -0.0604 360 HIS A CE1 2527 N NE2 . HIS A 329 ? 0.7739 0.7307 0.4141 -0.1178 0.3492 -0.0595 360 HIS A NE2 2528 N N . LEU A 330 ? 0.8557 0.7315 0.2633 -0.0891 0.2806 -0.0693 361 LEU A N 2529 C CA . LEU A 330 ? 0.9049 0.7596 0.2514 -0.0881 0.2656 -0.0679 361 LEU A CA 2530 C C . LEU A 330 ? 0.9449 0.7954 0.2661 -0.0885 0.2769 -0.0877 361 LEU A C 2531 O O . LEU A 330 ? 0.9619 0.7982 0.2379 -0.0873 0.2617 -0.0902 361 LEU A O 2532 C CB . LEU A 330 ? 0.8686 0.7231 0.2182 -0.0790 0.2295 -0.0578 361 LEU A CB 2533 C CG . LEU A 330 ? 0.8862 0.7267 0.2162 -0.0815 0.2188 -0.0353 361 LEU A CG 2534 C CD1 . LEU A 330 ? 0.8522 0.6956 0.1920 -0.0715 0.1852 -0.0272 361 LEU A CD1 2535 C CD2 . LEU A 330 ? 0.9529 0.7651 0.2116 -0.0905 0.2289 -0.0259 361 LEU A CD2 2536 O OXT . LEU A 330 ? 0.9619 0.8230 0.3075 -0.0905 0.3028 -0.1030 361 LEU A OXT # 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 HIS 1 32 ? ? ? A . n A 1 2 HIS 2 33 ? ? ? A . n A 1 3 HIS 3 34 ? ? ? A . n A 1 4 HIS 4 35 ? ? ? A . n A 1 5 HIS 5 36 ? ? ? A . n A 1 6 HIS 6 37 ? ? ? A . n A 1 7 GLU 7 38 38 GLU GLU A . n A 1 8 GLU 8 39 39 GLU GLU A . n A 1 9 LYS 9 40 40 LYS LYS A . n A 1 10 ASN 10 41 41 ASN ASN A . n A 1 11 TYR 11 42 42 TYR TYR A . n A 1 12 HIS 12 43 43 HIS HIS A . n A 1 13 GLN 13 44 44 GLN GLN A . n A 1 14 PRO 14 45 45 PRO PRO A . n A 1 15 ALA 15 46 46 ALA ALA A . n A 1 16 ILE 16 47 47 ILE ILE A . n A 1 17 LEU 17 48 48 LEU LEU A . n A 1 18 ASN 18 49 49 ASN ASN A . n A 1 19 SER 19 50 50 SER SER A . n A 1 20 SER 20 51 51 SER SER A . n A 1 21 ALA 21 52 52 ALA ALA A . n A 1 22 LEU 22 53 53 LEU LEU A . n A 1 23 ARG 23 54 54 ARG ARG A . n A 1 24 GLN 24 55 55 GLN GLN A . n A 1 25 ILE 25 56 56 ILE ILE A . n A 1 26 ALA 26 57 57 ALA ALA A . n A 1 27 GLU 27 58 58 GLU GLU A . n A 1 28 GLY 28 59 59 GLY GLY A . n A 1 29 THR 29 60 60 THR THR A . n A 1 30 SER 30 61 61 SER SER A . n A 1 31 ILE 31 62 62 ILE ILE A . n A 1 32 SER 32 63 63 SER SER A . n A 1 33 GLU 33 64 64 GLU GLU A . n A 1 34 MET 34 65 65 MET MET A . n A 1 35 TRP 35 66 66 TRP TRP A . n A 1 36 GLN 36 67 67 GLN GLN A . n A 1 37 ASN 37 68 68 ASN ASN A . n A 1 38 ASP 38 69 69 ASP ASP A . n A 1 39 LEU 39 70 70 LEU LEU A . n A 1 40 GLN 40 71 71 GLN GLN A . n A 1 41 PRO 41 72 72 PRO PRO A . n A 1 42 LEU 42 73 73 LEU LEU A . n A 1 43 LEU 43 74 74 LEU LEU A . n A 1 44 ILE 44 75 75 ILE ILE A . n A 1 45 GLU 45 76 76 GLU GLU A . n A 1 46 ARG 46 77 77 ARG ARG A . n A 1 47 TYR 47 78 78 TYR TYR A . n A 1 48 PRO 48 79 79 PRO PRO A . n A 1 49 GLY 49 80 80 GLY GLY A . n A 1 50 SER 50 81 81 SER SER A . n A 1 51 PRO 51 82 82 PRO PRO A . n A 1 52 GLY 52 83 83 GLY GLY A . n A 1 53 SER 53 84 84 SER SER A . n A 1 54 TYR 54 85 85 TYR TYR A . n A 1 55 ALA 55 86 86 ALA ALA A . n A 1 56 ALA 56 87 87 ALA ALA A . n A 1 57 ARG 57 88 88 ARG ARG A . n A 1 58 GLN 58 89 89 GLN GLN A . n A 1 59 HIS 59 90 90 HIS HIS A . n A 1 60 ILE 60 91 91 ILE ILE A . n A 1 61 MET 61 92 92 MET MET A . n A 1 62 GLN 62 93 93 GLN GLN A . n A 1 63 ARG 63 94 94 ARG ARG A . n A 1 64 ILE 64 95 95 ILE ILE A . n A 1 65 GLN 65 96 96 GLN GLN A . n A 1 66 ARG 66 97 97 ARG ARG A . n A 1 67 LEU 67 98 98 LEU LEU A . n A 1 68 GLN 68 99 99 GLN GLN A . n A 1 69 ALA 69 100 100 ALA ALA A . n A 1 70 ASP 70 101 101 ASP ASP A . n A 1 71 TRP 71 102 102 TRP TRP A . n A 1 72 VAL 72 103 103 VAL VAL A . n A 1 73 LEU 73 104 104 LEU LEU A . n A 1 74 GLU 74 105 105 GLU GLU A . n A 1 75 ILE 75 106 106 ILE ILE A . n A 1 76 ASP 76 107 107 ASP ASP A . n A 1 77 THR 77 108 108 THR THR A . n A 1 78 PHE 78 109 109 PHE PHE A . n A 1 79 LEU 79 110 110 LEU LEU A . n A 1 80 SER 80 111 111 SER SER A . n A 1 81 GLN 81 112 112 GLN GLN A . n A 1 82 THR 82 113 113 THR THR A . n A 1 83 PRO 83 114 114 PRO PRO A . n A 1 84 TYR 84 115 115 TYR TYR A . n A 1 85 GLY 85 116 116 GLY GLY A . n A 1 86 TYR 86 117 117 TYR TYR A . n A 1 87 ARG 87 118 118 ARG ARG A . n A 1 88 SER 88 119 119 SER SER A . n A 1 89 PHE 89 120 120 PHE PHE A . n A 1 90 SER 90 121 121 SER SER A . n A 1 91 ASN 91 122 122 ASN ASN A . n A 1 92 ILE 92 123 123 ILE ILE A . n A 1 93 ILE 93 124 124 ILE ILE A . n A 1 94 SER 94 125 125 SER SER A . n A 1 95 THR 95 126 126 THR THR A . n A 1 96 LEU 96 127 127 LEU LEU A . n A 1 97 ASN 97 128 128 ASN ASN A . n A 1 98 PRO 98 129 129 PRO PRO A . n A 1 99 THR 99 130 130 THR THR A . n A 1 100 ALA 100 131 131 ALA ALA A . n A 1 101 LYS 101 132 132 LYS LYS A . n A 1 102 ARG 102 133 133 ARG ARG A . n A 1 103 HIS 103 134 134 HIS HIS A . n A 1 104 LEU 104 135 135 LEU LEU A . n A 1 105 VAL 105 136 136 VAL VAL A . n A 1 106 LEU 106 137 137 LEU LEU A . n A 1 107 ALA 107 138 138 ALA ALA A . n A 1 108 CYS 108 139 139 CYS CYS A . n A 1 109 HIS 109 140 140 HIS HIS A . n A 1 110 TYR 110 141 141 TYR TYR A . n A 1 111 ASP 111 142 142 ASP ASP A . n A 1 112 SER 112 143 143 SER SER A . n A 1 113 LYS 113 144 144 LYS LYS A . n A 1 114 TYR 114 145 145 TYR TYR A . n A 1 115 PHE 115 146 146 PHE PHE A . n A 1 116 SER 116 147 ? ? ? A . n A 1 117 HIS 117 148 ? ? ? A . n A 1 118 TRP 118 149 ? ? ? A . n A 1 119 ASN 119 150 150 ASN ASN A . n A 1 120 ASN 120 151 151 ASN ASN A . n A 1 121 ARG 121 152 152 ARG ARG A . n A 1 122 VAL 122 153 153 VAL VAL A . n A 1 123 PHE 123 154 154 PHE PHE A . n A 1 124 VAL 124 155 155 VAL VAL A . n A 1 125 GLY 125 156 156 GLY GLY A . n A 1 126 ALA 126 157 157 ALA ALA A . n A 1 127 THR 127 158 158 THR THR A . n A 1 128 ASP 128 159 159 ASP ASP A . n A 1 129 SER 129 160 160 SER SER A . n A 1 130 ALA 130 161 161 ALA ALA A . n A 1 131 VAL 131 162 162 VAL VAL A . n A 1 132 PRO 132 163 163 PRO PRO A . n A 1 133 CYS 133 164 164 CYS CYS A . n A 1 134 ALA 134 165 165 ALA ALA A . n A 1 135 MET 135 166 166 MET MET A . n A 1 136 MET 136 167 167 MET MET A . n A 1 137 LEU 137 168 168 LEU LEU A . n A 1 138 GLU 138 169 169 GLU GLU A . n A 1 139 LEU 139 170 170 LEU LEU A . n A 1 140 ALA 140 171 171 ALA ALA A . n A 1 141 ARG 141 172 172 ARG ARG A . n A 1 142 ALA 142 173 173 ALA ALA A . n A 1 143 LEU 143 174 174 LEU LEU A . n A 1 144 ASP 144 175 175 ASP ASP A . n A 1 145 LYS 145 176 176 LYS LYS A . n A 1 146 LYS 146 177 177 LYS LYS A . n A 1 147 LEU 147 178 178 LEU LEU A . n A 1 148 LEU 148 179 179 LEU LEU A . n A 1 149 SER 149 180 180 SER SER A . n A 1 150 LEU 150 181 181 LEU LEU A . n A 1 151 LYS 151 182 182 LYS LYS A . n A 1 152 THR 152 183 ? ? ? A . n A 1 153 VAL 153 184 ? ? ? A . n A 1 154 SER 154 185 ? ? ? A . n A 1 155 ASP 155 186 ? ? ? A . n A 1 156 SER 156 187 ? ? ? A . n A 1 157 LYS 157 188 ? ? ? A . n A 1 158 PRO 158 189 ? ? ? A . n A 1 159 ASP 159 190 190 ASP ASP A . n A 1 160 LEU 160 191 191 LEU LEU A . n A 1 161 SER 161 192 192 SER SER A . n A 1 162 LEU 162 193 193 LEU LEU A . n A 1 163 GLN 163 194 194 GLN GLN A . n A 1 164 LEU 164 195 195 LEU LEU A . n A 1 165 ILE 165 196 196 ILE ILE A . n A 1 166 PHE 166 197 197 PHE PHE A . n A 1 167 PHE 167 198 198 PHE PHE A . n A 1 168 ASP 168 199 199 ASP ASP A . n A 1 169 GLY 169 200 200 GLY GLY A . n A 1 170 GLU 170 201 201 GLU GLU A . n A 1 171 GLU 171 202 202 GLU GLU A . n A 1 172 ALA 172 203 203 ALA ALA A . n A 1 173 PHE 173 204 204 PHE PHE A . n A 1 174 LEU 174 205 205 LEU LEU A . n A 1 175 HIS 175 206 206 HIS HIS A . n A 1 176 TRP 176 207 207 TRP TRP A . n A 1 177 SER 177 208 208 SER SER A . n A 1 178 PRO 178 209 209 PRO PRO A . n A 1 179 GLN 179 210 210 GLN GLN A . n A 1 180 ASP 180 211 211 ASP ASP A . n A 1 181 SER 181 212 212 SER SER A . n A 1 182 LEU 182 213 213 LEU LEU A . n A 1 183 TYR 183 214 214 TYR TYR A . n A 1 184 GLY 184 215 215 GLY GLY A . n A 1 185 SER 185 216 216 SER SER A . n A 1 186 ARG 186 217 217 ARG ARG A . n A 1 187 HIS 187 218 218 HIS HIS A . n A 1 188 LEU 188 219 219 LEU LEU A . n A 1 189 ALA 189 220 220 ALA ALA A . n A 1 190 ALA 190 221 221 ALA ALA A . n A 1 191 LYS 191 222 222 LYS LYS A . n A 1 192 MET 192 223 223 MET MET A . n A 1 193 ALA 193 224 224 ALA ALA A . n A 1 194 SER 194 225 225 SER SER A . n A 1 195 THR 195 226 226 THR THR A . n A 1 196 PRO 196 227 227 PRO PRO A . n A 1 197 HIS 197 228 228 HIS HIS A . n A 1 198 PRO 198 229 229 PRO PRO A . n A 1 199 PRO 199 230 230 PRO PRO A . n A 1 200 GLY 200 231 231 GLY GLY A . n A 1 201 ALA 201 232 232 ALA ALA A . n A 1 202 ARG 202 233 233 ARG ARG A . n A 1 203 GLY 203 234 234 GLY GLY A . n A 1 204 THR 204 235 235 THR THR A . n A 1 205 SER 205 236 236 SER SER A . n A 1 206 GLN 206 237 237 GLN GLN A . n A 1 207 LEU 207 238 238 LEU LEU A . n A 1 208 HIS 208 239 239 HIS HIS A . n A 1 209 GLY 209 240 240 GLY GLY A . n A 1 210 MET 210 241 241 MET MET A . n A 1 211 ASP 211 242 242 ASP ASP A . n A 1 212 LEU 212 243 243 LEU LEU A . n A 1 213 LEU 213 244 244 LEU LEU A . n A 1 214 VAL 214 245 245 VAL VAL A . n A 1 215 LEU 215 246 246 LEU LEU A . n A 1 216 LEU 216 247 247 LEU LEU A . n A 1 217 ASP 217 248 248 ASP ASP A . n A 1 218 LEU 218 249 249 LEU LEU A . n A 1 219 ILE 219 250 250 ILE ILE A . n A 1 220 GLY 220 251 251 GLY GLY A . n A 1 221 ALA 221 252 252 ALA ALA A . n A 1 222 PRO 222 253 253 PRO PRO A . n A 1 223 ASN 223 254 254 ASN ASN A . n A 1 224 PRO 224 255 255 PRO PRO A . n A 1 225 THR 225 256 256 THR THR A . n A 1 226 PHE 226 257 257 PHE PHE A . n A 1 227 PRO 227 258 258 PRO PRO A . n A 1 228 ASN 228 259 259 ASN ASN A . n A 1 229 PHE 229 260 260 PHE PHE A . n A 1 230 PHE 230 261 261 PHE PHE A . n A 1 231 PRO 231 262 262 PRO PRO A . n A 1 232 ASN 232 263 263 ASN ASN A . n A 1 233 SER 233 264 264 SER SER A . n A 1 234 ALA 234 265 265 ALA ALA A . n A 1 235 ARG 235 266 266 ARG ARG A . n A 1 236 TRP 236 267 267 TRP TRP A . n A 1 237 PHE 237 268 268 PHE PHE A . n A 1 238 GLU 238 269 269 GLU GLU A . n A 1 239 ARG 239 270 270 ARG ARG A . n A 1 240 LEU 240 271 271 LEU LEU A . n A 1 241 GLN 241 272 272 GLN GLN A . n A 1 242 ALA 242 273 273 ALA ALA A . n A 1 243 ILE 243 274 274 ILE ILE A . n A 1 244 GLU 244 275 275 GLU GLU A . n A 1 245 HIS 245 276 276 HIS HIS A . n A 1 246 GLU 246 277 277 GLU GLU A . n A 1 247 LEU 247 278 278 LEU LEU A . n A 1 248 HIS 248 279 279 HIS HIS A . n A 1 249 GLU 249 280 280 GLU GLU A . n A 1 250 LEU 250 281 281 LEU LEU A . n A 1 251 GLY 251 282 282 GLY GLY A . n A 1 252 LEU 252 283 283 LEU LEU A . n A 1 253 LEU 253 284 284 LEU LEU A . n A 1 254 LYS 254 285 285 LYS LYS A . n A 1 255 ASP 255 286 286 ASP ASP A . n A 1 256 HIS 256 287 287 HIS HIS A . n A 1 257 SER 257 288 288 SER SER A . n A 1 258 LEU 258 289 289 LEU LEU A . n A 1 259 GLU 259 290 290 GLU GLU A . n A 1 260 GLY 260 291 291 GLY GLY A . n A 1 261 ARG 261 292 292 ARG ARG A . n A 1 262 TYR 262 293 293 TYR TYR A . n A 1 263 PHE 263 294 294 PHE PHE A . n A 1 264 GLN 264 295 295 GLN GLN A . n A 1 265 ASN 265 296 296 ASN ASN A . n A 1 266 TYR 266 297 297 TYR TYR A . n A 1 267 SER 267 298 298 SER SER A . n A 1 268 TYR 268 299 299 TYR TYR A . n A 1 269 GLY 269 300 300 GLY GLY A . n A 1 270 GLY 270 301 301 GLY GLY A . n A 1 271 VAL 271 302 302 VAL VAL A . n A 1 272 ILE 272 303 303 ILE ILE A . n A 1 273 GLN 273 304 304 GLN GLN A . n A 1 274 ASP 274 305 305 ASP ASP A . n A 1 275 ASP 275 306 306 ASP ASP A . n A 1 276 HIS 276 307 307 HIS HIS A . n A 1 277 ILE 277 308 308 ILE ILE A . n A 1 278 PRO 278 309 309 PRO PRO A . n A 1 279 PHE 279 310 310 PHE PHE A . n A 1 280 LEU 280 311 311 LEU LEU A . n A 1 281 ARG 281 312 312 ARG ARG A . n A 1 282 ARG 282 313 313 ARG ARG A . n A 1 283 GLY 283 314 314 GLY GLY A . n A 1 284 VAL 284 315 315 VAL VAL A . n A 1 285 PRO 285 316 316 PRO PRO A . n A 1 286 VAL 286 317 317 VAL VAL A . n A 1 287 LEU 287 318 318 LEU LEU A . n A 1 288 HIS 288 319 319 HIS HIS A . n A 1 289 LEU 289 320 320 LEU LEU A . n A 1 290 ILE 290 321 321 ILE ILE A . n A 1 291 PRO 291 322 322 PRO PRO A . n A 1 292 SER 292 323 323 SER SER A . n A 1 293 PRO 293 324 324 PRO PRO A . n A 1 294 PHE 294 325 325 PHE PHE A . n A 1 295 PRO 295 326 326 PRO PRO A . n A 1 296 GLU 296 327 327 GLU GLU A . n A 1 297 VAL 297 328 328 VAL VAL A . n A 1 298 TRP 298 329 329 TRP TRP A . n A 1 299 HIS 299 330 330 HIS HIS A . n A 1 300 THR 300 331 331 THR THR A . n A 1 301 MET 301 332 332 MET MET A . n A 1 302 ASP 302 333 333 ASP ASP A . n A 1 303 ASP 303 334 334 ASP ASP A . n A 1 304 ASN 304 335 335 ASN ASN A . n A 1 305 GLU 305 336 336 GLU GLU A . n A 1 306 GLU 306 337 337 GLU GLU A . n A 1 307 ASN 307 338 338 ASN ASN A . n A 1 308 LEU 308 339 339 LEU LEU A . n A 1 309 ASP 309 340 340 ASP ASP A . n A 1 310 GLU 310 341 341 GLU GLU A . n A 1 311 SER 311 342 342 SER SER A . n A 1 312 THR 312 343 343 THR THR A . n A 1 313 ILE 313 344 344 ILE ILE A . n A 1 314 ASP 314 345 345 ASP ASP A . n A 1 315 ASN 315 346 346 ASN ASN A . n A 1 316 LEU 316 347 347 LEU LEU A . n A 1 317 ASN 317 348 348 ASN ASN A . n A 1 318 LYS 318 349 349 LYS LYS A . n A 1 319 ILE 319 350 350 ILE ILE A . n A 1 320 LEU 320 351 351 LEU LEU A . n A 1 321 GLN 321 352 352 GLN GLN A . n A 1 322 VAL 322 353 353 VAL VAL A . n A 1 323 PHE 323 354 354 PHE PHE A . n A 1 324 VAL 324 355 355 VAL VAL A . n A 1 325 LEU 325 356 356 LEU LEU A . n A 1 326 GLU 326 357 357 GLU GLU A . n A 1 327 TYR 327 358 358 TYR TYR A . n A 1 328 LEU 328 359 359 LEU LEU A . n A 1 329 HIS 329 360 360 HIS HIS A . n A 1 330 LEU 330 361 361 LEU LEU A . 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 B 2 NAG 1 1 1 NAG NAG A . C 2 NAG 2 2 2 NAG NAG A . D 3 ZN 1 362 1 ZN ZN A . E 4 IMD 1 363 1 IMD IMD A . F 5 CL 1 364 1 CL CL A . G 6 HOH 1 3 3 HOH HOH A . G 6 HOH 2 4 4 HOH HOH A . G 6 HOH 3 5 5 HOH HOH A . G 6 HOH 4 6 6 HOH HOH A . G 6 HOH 5 7 7 HOH HOH A . G 6 HOH 6 8 8 HOH HOH A . G 6 HOH 7 9 9 HOH HOH A . G 6 HOH 8 10 10 HOH HOH A . G 6 HOH 9 11 11 HOH HOH A . G 6 HOH 10 12 12 HOH HOH A . G 6 HOH 11 13 13 HOH HOH A . G 6 HOH 12 14 14 HOH HOH A . G 6 HOH 13 15 15 HOH HOH A . G 6 HOH 14 16 16 HOH HOH A . G 6 HOH 15 17 17 HOH HOH A . G 6 HOH 16 18 18 HOH HOH A . G 6 HOH 17 19 19 HOH HOH A . G 6 HOH 18 20 20 HOH HOH A . G 6 HOH 19 21 21 HOH HOH A . G 6 HOH 20 22 22 HOH HOH A . G 6 HOH 21 23 23 HOH HOH A . G 6 HOH 22 24 24 HOH HOH A . G 6 HOH 23 25 25 HOH HOH A . G 6 HOH 24 26 26 HOH HOH A . G 6 HOH 25 27 27 HOH HOH A . G 6 HOH 26 28 28 HOH HOH A . G 6 HOH 27 29 29 HOH HOH A . G 6 HOH 28 30 30 HOH HOH A . G 6 HOH 29 31 31 HOH HOH A . G 6 HOH 30 365 2 HOH HOH A . G 6 HOH 31 366 32 HOH HOH A . G 6 HOH 32 367 33 HOH HOH A . G 6 HOH 33 368 34 HOH HOH A . G 6 HOH 34 369 35 HOH HOH A . G 6 HOH 35 370 36 HOH HOH A . G 6 HOH 36 371 37 HOH HOH A . G 6 HOH 37 372 38 HOH HOH A . G 6 HOH 38 373 39 HOH HOH A . G 6 HOH 39 374 41 HOH HOH A . G 6 HOH 40 375 42 HOH HOH A . G 6 HOH 41 376 43 HOH HOH A . G 6 HOH 42 377 44 HOH HOH A . G 6 HOH 43 378 45 HOH HOH A . G 6 HOH 44 379 46 HOH HOH A . G 6 HOH 45 380 47 HOH HOH A . G 6 HOH 46 381 48 HOH HOH A . G 6 HOH 47 382 49 HOH HOH A . G 6 HOH 48 383 50 HOH HOH A . G 6 HOH 49 384 51 HOH HOH A . G 6 HOH 50 385 52 HOH HOH A . G 6 HOH 51 386 53 HOH HOH A . G 6 HOH 52 387 54 HOH HOH A . G 6 HOH 53 388 55 HOH HOH A . G 6 HOH 54 389 56 HOH HOH A . G 6 HOH 55 390 57 HOH HOH A . G 6 HOH 56 391 58 HOH HOH A . G 6 HOH 57 392 59 HOH HOH A . G 6 HOH 58 393 60 HOH HOH A . G 6 HOH 59 394 61 HOH HOH A . G 6 HOH 60 395 63 HOH HOH A . G 6 HOH 61 396 64 HOH HOH A . G 6 HOH 62 397 65 HOH HOH A . G 6 HOH 63 398 69 HOH HOH A . G 6 HOH 64 399 71 HOH HOH A . G 6 HOH 65 400 72 HOH HOH A . G 6 HOH 66 401 74 HOH HOH A . G 6 HOH 67 402 75 HOH HOH A . G 6 HOH 68 403 76 HOH HOH A . G 6 HOH 69 404 78 HOH HOH A . G 6 HOH 70 405 79 HOH HOH A . G 6 HOH 71 406 80 HOH HOH A . G 6 HOH 72 407 81 HOH HOH A . G 6 HOH 73 408 83 HOH HOH A . G 6 HOH 74 409 85 HOH HOH A . G 6 HOH 75 410 86 HOH HOH A . G 6 HOH 76 411 87 HOH HOH A . G 6 HOH 77 412 90 HOH HOH A . G 6 HOH 78 413 91 HOH HOH A . G 6 HOH 79 414 92 HOH HOH A . G 6 HOH 80 415 93 HOH HOH A . G 6 HOH 81 416 94 HOH HOH A . G 6 HOH 82 417 96 HOH HOH A . G 6 HOH 83 418 97 HOH HOH A . G 6 HOH 84 419 100 HOH HOH A . G 6 HOH 85 420 101 HOH HOH A . G 6 HOH 86 421 102 HOH HOH A . G 6 HOH 87 422 103 HOH HOH A . G 6 HOH 88 423 104 HOH HOH A . G 6 HOH 89 424 105 HOH HOH A . G 6 HOH 90 425 106 HOH HOH A . G 6 HOH 91 426 109 HOH HOH A . G 6 HOH 92 427 110 HOH HOH A . G 6 HOH 93 428 111 HOH HOH A . G 6 HOH 94 429 112 HOH HOH A . G 6 HOH 95 430 113 HOH HOH A . G 6 HOH 96 431 114 HOH HOH A . G 6 HOH 97 432 115 HOH HOH A . G 6 HOH 98 433 116 HOH HOH A . G 6 HOH 99 434 119 HOH HOH A . G 6 HOH 100 435 120 HOH HOH A . G 6 HOH 101 436 121 HOH HOH A . G 6 HOH 102 437 122 HOH HOH A . G 6 HOH 103 438 123 HOH HOH A . G 6 HOH 104 439 124 HOH HOH A . G 6 HOH 105 440 128 HOH HOH A . G 6 HOH 106 441 131 HOH HOH A . G 6 HOH 107 442 134 HOH HOH A . G 6 HOH 108 443 135 HOH HOH A . G 6 HOH 109 444 137 HOH HOH A . G 6 HOH 110 445 139 HOH HOH A . G 6 HOH 111 446 141 HOH HOH A . G 6 HOH 112 447 142 HOH HOH A . G 6 HOH 113 448 144 HOH HOH A . G 6 HOH 114 449 145 HOH HOH A . G 6 HOH 115 450 146 HOH HOH A . G 6 HOH 116 451 147 HOH HOH A . G 6 HOH 117 452 148 HOH HOH A . G 6 HOH 118 453 149 HOH HOH A . G 6 HOH 119 454 150 HOH HOH A . G 6 HOH 120 455 151 HOH HOH A . G 6 HOH 121 456 154 HOH HOH A . G 6 HOH 122 457 155 HOH HOH A . G 6 HOH 123 458 157 HOH HOH A . G 6 HOH 124 459 158 HOH HOH A . G 6 HOH 125 460 159 HOH HOH A . G 6 HOH 126 461 160 HOH HOH A . G 6 HOH 127 462 164 HOH HOH A . G 6 HOH 128 463 165 HOH HOH A . G 6 HOH 129 464 166 HOH HOH A . G 6 HOH 130 465 180 HOH HOH A . G 6 HOH 131 466 181 HOH HOH A . G 6 HOH 132 467 182 HOH HOH A . G 6 HOH 133 468 183 HOH HOH A . G 6 HOH 134 469 184 HOH HOH A . G 6 HOH 135 470 185 HOH HOH A . G 6 HOH 136 471 186 HOH HOH A . G 6 HOH 137 472 187 HOH HOH A . G 6 HOH 138 473 188 HOH HOH A . G 6 HOH 139 474 189 HOH HOH A . G 6 HOH 140 475 190 HOH HOH A . G 6 HOH 141 476 191 HOH HOH A . G 6 HOH 142 477 192 HOH HOH A . G 6 HOH 143 478 193 HOH HOH A . G 6 HOH 144 479 194 HOH HOH A . G 6 HOH 145 480 196 HOH HOH A . G 6 HOH 146 481 197 HOH HOH A . G 6 HOH 147 482 199 HOH HOH A . G 6 HOH 148 483 202 HOH HOH A . G 6 HOH 149 484 203 HOH HOH A . G 6 HOH 150 485 204 HOH HOH A . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 18 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 49 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # _pdbx_struct_special_symmetry.id 1 _pdbx_struct_special_symmetry.PDB_model_num 1 _pdbx_struct_special_symmetry.auth_asym_id A _pdbx_struct_special_symmetry.auth_comp_id HOH _pdbx_struct_special_symmetry.auth_seq_id 485 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id G _pdbx_struct_special_symmetry.label_comp_id HOH _pdbx_struct_special_symmetry.label_seq_id . # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 N3 ? E IMD . ? A IMD 363 ? 1_555 ZN ? D ZN . ? A ZN 362 ? 1_555 OD1 ? A ASP 128 ? A ASP 159 ? 1_555 127.4 ? 2 N3 ? E IMD . ? A IMD 363 ? 1_555 ZN ? D ZN . ? A ZN 362 ? 1_555 OE2 ? A GLU 171 ? A GLU 202 ? 1_555 102.4 ? 3 OD1 ? A ASP 128 ? A ASP 159 ? 1_555 ZN ? D ZN . ? A ZN 362 ? 1_555 OE2 ? A GLU 171 ? A GLU 202 ? 1_555 112.3 ? 4 N3 ? E IMD . ? A IMD 363 ? 1_555 ZN ? D ZN . ? A ZN 362 ? 1_555 NE2 ? A HIS 299 ? A HIS 330 ? 1_555 104.9 ? 5 OD1 ? A ASP 128 ? A ASP 159 ? 1_555 ZN ? D ZN . ? A ZN 362 ? 1_555 NE2 ? A HIS 299 ? A HIS 330 ? 1_555 106.6 ? 6 OE2 ? A GLU 171 ? A GLU 202 ? 1_555 ZN ? D ZN . ? A ZN 362 ? 1_555 NE2 ? A HIS 299 ? A HIS 330 ? 1_555 99.7 ? 7 N3 ? E IMD . ? A IMD 363 ? 1_555 ZN ? D ZN . ? A ZN 362 ? 1_555 OD2 ? A ASP 128 ? A ASP 159 ? 1_555 85.4 ? 8 OD1 ? A ASP 128 ? A ASP 159 ? 1_555 ZN ? D ZN . ? A ZN 362 ? 1_555 OD2 ? A ASP 128 ? A ASP 159 ? 1_555 56.8 ? 9 OE2 ? A GLU 171 ? A GLU 202 ? 1_555 ZN ? D ZN . ? A ZN 362 ? 1_555 OD2 ? A ASP 128 ? A ASP 159 ? 1_555 91.0 ? 10 NE2 ? A HIS 299 ? A HIS 330 ? 1_555 ZN ? D ZN . ? A ZN 362 ? 1_555 OD2 ? A ASP 128 ? A ASP 159 ? 1_555 163.0 ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2011-06-29 2 'Structure model' 1 1 2011-07-13 3 'Structure model' 1 2 2011-07-27 4 'Structure model' 1 3 2011-08-31 5 'Structure model' 1 4 2017-11-08 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Database references' 3 4 'Structure model' 'Structure summary' 4 5 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 5 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # _pdbx_audit_revision_item.ordinal 1 _pdbx_audit_revision_item.revision_ordinal 5 _pdbx_audit_revision_item.data_content_type 'Structure model' _pdbx_audit_revision_item.item '_software.name' # _pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls.id 1 _pdbx_refine_tls.details ? _pdbx_refine_tls.method refined _pdbx_refine_tls.origin_x -9.0260 _pdbx_refine_tls.origin_y -18.2220 _pdbx_refine_tls.origin_z -22.8760 _pdbx_refine_tls.T[1][1] 0.2844 _pdbx_refine_tls.T[2][2] 0.2906 _pdbx_refine_tls.T[3][3] 0.0733 _pdbx_refine_tls.T[1][2] 0.0094 _pdbx_refine_tls.T[1][3] 0.0172 _pdbx_refine_tls.T[2][3] -0.0322 _pdbx_refine_tls.L[1][1] 1.8603 _pdbx_refine_tls.L[2][2] 2.6312 _pdbx_refine_tls.L[3][3] 1.6257 _pdbx_refine_tls.L[1][2] 0.3079 _pdbx_refine_tls.L[1][3] -0.2014 _pdbx_refine_tls.L[2][3] 0.2900 _pdbx_refine_tls.S[1][1] 0.0355 _pdbx_refine_tls.S[1][2] -0.2392 _pdbx_refine_tls.S[1][3] 0.2273 _pdbx_refine_tls.S[2][1] 0.3619 _pdbx_refine_tls.S[2][2] -0.0770 _pdbx_refine_tls.S[2][3] 0.3767 _pdbx_refine_tls.S[3][1] 0.0116 _pdbx_refine_tls.S[3][2] -0.1232 _pdbx_refine_tls.S[3][3] 0.0415 # _pdbx_refine_tls_group.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls_group.id 1 _pdbx_refine_tls_group.refine_tls_id 1 _pdbx_refine_tls_group.beg_auth_asym_id A _pdbx_refine_tls_group.beg_auth_seq_id 38 _pdbx_refine_tls_group.beg_label_asym_id ? _pdbx_refine_tls_group.beg_label_seq_id ? _pdbx_refine_tls_group.end_auth_asym_id A _pdbx_refine_tls_group.end_auth_seq_id 361 _pdbx_refine_tls_group.end_label_asym_id ? _pdbx_refine_tls_group.end_label_seq_id ? _pdbx_refine_tls_group.selection ? _pdbx_refine_tls_group.selection_details ? # _phasing.method MR # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id 1 SCALA 3.3.15 2009/03/31 other 'Phil R. Evans' pre@mrc-lmb.cam.ac.uk 'data scaling' http://www.ccp4.ac.uk/dist/html/scala.html Fortran_77 ? 2 PHASER . ? program 'Randy J. Read' cimr-phaser@lists.cam.ac.uk phasing http://www-structmed.cimr.cam.ac.uk/phaser/ ? ? 3 REFMAC . ? program 'Garib N. Murshudov' garib@ysbl.york.ac.uk refinement http://www.ccp4.ac.uk/dist/html/refmac5.html Fortran_77 ? 4 PDB_EXTRACT 3.10 'June 10, 2010' package PDB deposit@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 5 MAR345dtb . ? ? ? ? 'data collection' ? ? ? 6 XSCALE . ? ? ? ? 'data scaling' ? ? ? # 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 OE1 A GLU 76 ? ? O A HOH 443 ? ? 2.17 2 1 O A HOH 444 ? ? O A HOH 454 ? ? 2.18 # loop_ _pdbx_validate_rmsd_bond.id _pdbx_validate_rmsd_bond.PDB_model_num _pdbx_validate_rmsd_bond.auth_atom_id_1 _pdbx_validate_rmsd_bond.auth_asym_id_1 _pdbx_validate_rmsd_bond.auth_comp_id_1 _pdbx_validate_rmsd_bond.auth_seq_id_1 _pdbx_validate_rmsd_bond.PDB_ins_code_1 _pdbx_validate_rmsd_bond.label_alt_id_1 _pdbx_validate_rmsd_bond.auth_atom_id_2 _pdbx_validate_rmsd_bond.auth_asym_id_2 _pdbx_validate_rmsd_bond.auth_comp_id_2 _pdbx_validate_rmsd_bond.auth_seq_id_2 _pdbx_validate_rmsd_bond.PDB_ins_code_2 _pdbx_validate_rmsd_bond.label_alt_id_2 _pdbx_validate_rmsd_bond.bond_value _pdbx_validate_rmsd_bond.bond_target_value _pdbx_validate_rmsd_bond.bond_deviation _pdbx_validate_rmsd_bond.bond_standard_deviation _pdbx_validate_rmsd_bond.linker_flag 1 1 CB A GLU 105 ? ? CG A GLU 105 ? ? 1.643 1.517 0.126 0.019 N 2 1 CD1 A TYR 214 ? ? CE1 A TYR 214 ? ? 1.534 1.389 0.145 0.015 N 3 1 CE2 A TYR 214 ? ? CD2 A TYR 214 ? ? 1.487 1.389 0.098 0.015 N # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 C A GLN 71 ? ? N A PRO 72 ? ? CA A PRO 72 ? ? 109.28 119.30 -10.02 1.50 Y 2 1 NE A ARG 88 ? ? CZ A ARG 88 ? ? NH2 A ARG 88 ? ? 116.85 120.30 -3.45 0.50 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ARG A 77 ? ? -145.79 49.28 2 1 ALA A 100 ? ? -38.31 145.22 3 1 ASN A 151 ? ? 71.56 39.70 4 1 SER A 160 ? ? -152.03 41.49 5 1 LEU A 181 ? ? -64.98 5.50 6 1 ASP A 211 ? ? -114.09 79.36 7 1 SER A 212 ? ? 163.48 162.27 8 1 ASP A 306 ? ? -48.99 -19.34 # _pdbx_validate_peptide_omega.id 1 _pdbx_validate_peptide_omega.PDB_model_num 1 _pdbx_validate_peptide_omega.auth_comp_id_1 ASN _pdbx_validate_peptide_omega.auth_asym_id_1 A _pdbx_validate_peptide_omega.auth_seq_id_1 150 _pdbx_validate_peptide_omega.PDB_ins_code_1 ? _pdbx_validate_peptide_omega.label_alt_id_1 ? _pdbx_validate_peptide_omega.auth_comp_id_2 ASN _pdbx_validate_peptide_omega.auth_asym_id_2 A _pdbx_validate_peptide_omega.auth_seq_id_2 151 _pdbx_validate_peptide_omega.PDB_ins_code_2 ? _pdbx_validate_peptide_omega.label_alt_id_2 ? _pdbx_validate_peptide_omega.omega -149.96 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A HIS 32 ? A HIS 1 2 1 Y 1 A HIS 33 ? A HIS 2 3 1 Y 1 A HIS 34 ? A HIS 3 4 1 Y 1 A HIS 35 ? A HIS 4 5 1 Y 1 A HIS 36 ? A HIS 5 6 1 Y 1 A HIS 37 ? A HIS 6 7 1 Y 1 A SER 147 ? A SER 116 8 1 Y 1 A HIS 148 ? A HIS 117 9 1 Y 1 A TRP 149 ? A TRP 118 10 1 Y 1 A THR 183 ? A THR 152 11 1 Y 1 A VAL 184 ? A VAL 153 12 1 Y 1 A SER 185 ? A SER 154 13 1 Y 1 A ASP 186 ? A ASP 155 14 1 Y 1 A SER 187 ? A SER 156 15 1 Y 1 A LYS 188 ? A LYS 157 16 1 Y 1 A PRO 189 ? A PRO 158 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 'ZINC ION' ZN 4 IMIDAZOLE IMD 5 'CHLORIDE ION' CL 6 water HOH #