data_4DKP # _entry.id 4DKP # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4DKP RCSB RCSB070450 WWPDB D_1000070450 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 4DKO . unspecified PDB 4DKQ . unspecified PDB 4DKR . unspecified # _pdbx_database_status.entry_id 4DKP _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2012-02-03 _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.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Kwon, Y.D.' 1 'LaLonde, J.M.' 2 'Jones, D.M.' 3 'Sun, A.W.' 4 'Courter, J.R.' 5 'Soeta, T.' 6 'Kobayashi, T.' 7 'Princiotto, A.M.' 8 'Wu, X.' 9 'Mascola, J.' 10 'Schon, A.' 11 'Freire, E.' 12 'Sodroski, J.' 13 'Madani, N.' 14 'Smith III, A.B.' 15 'Kwong, P.D.' 16 # _citation.id primary _citation.title 'Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors.' _citation.journal_abbrev J.Med.Chem. _citation.journal_volume 55 _citation.page_first 4382 _citation.page_last 4396 _citation.year 2012 _citation.journal_id_ASTM JMCMAR _citation.country US _citation.journal_id_ISSN 0022-2623 _citation.journal_id_CSD 0151 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 22497421 _citation.pdbx_database_id_DOI 10.1021/jm300265j # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Lalonde, J.M.' 1 primary 'Kwon, Y.D.' 2 primary 'Jones, D.M.' 3 primary 'Sun, A.W.' 4 primary 'Courter, J.R.' 5 primary 'Soeta, T.' 6 primary 'Kobayashi, T.' 7 primary 'Princiotto, A.M.' 8 primary 'Wu, X.' 9 primary 'Schon, A.' 10 primary 'Freire, E.' 11 primary 'Kwong, P.D.' 12 primary 'Mascola, J.R.' 13 primary 'Sodroski, J.' 14 primary 'Madani, N.' 15 primary 'Smith, A.B.' 16 # _cell.entry_id 4DKP _cell.length_a 64.666 _cell.length_b 68.483 _cell.length_c 94.747 _cell.angle_alpha 90.00 _cell.angle_beta 91.60 _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 4DKP _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'clade A/E 93TH057 HIV-1 gp120 core' 39160.367 2 ? ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 22 ? ? ? ? 3 non-polymer syn '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' 238.305 2 ? ? ? ? 4 non-polymer syn "N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide" 347.771 2 ? ? ? ? 5 water nat water 18.015 479 ? ? ? ? # _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 ;VWKDADTTLFCASDAKAHETEVHNVWATHACVPTDPNPQEIHLENVTENFNMWKNNMVEQMQEDVISLWDQSLQPCVKLT GGSVIKQACPKISFDPIPIHYCTPAGYVILKCNDKNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSEN LTNNAKTIIVHLNKSVEINCTRPSNGGSGSGGDIRKAYCEINGTKWNKVLKQVTEKLKEHFNNKTIIFQPPSGGDLEITM HSFNCRGEFFYCNTTQLFNNTCIGNETMKGCNGTITLPCKIKQIINMWQGTGQAMYAPPIDGKINCVSNITGILLTRDGG ANNTSNETFRPGGGNIKDNWRSELYKYKVVQIE ; _entity_poly.pdbx_seq_one_letter_code_can ;VWKDADTTLFCASDAKAHETEVHNVWATHACVPTDPNPQEIHLENVTENFNMWKNNMVEQMQEDVISLWDQSLQPCVKLT GGSVIKQACPKISFDPIPIHYCTPAGYVILKCNDKNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSEN LTNNAKTIIVHLNKSVEINCTRPSNGGSGSGGDIRKAYCEINGTKWNKVLKQVTEKLKEHFNNKTIIFQPPSGGDLEITM HSFNCRGEFFYCNTTQLFNNTCIGNETMKGCNGTITLPCKIKQIINMWQGTGQAMYAPPIDGKINCVSNITGILLTRDGG ANNTSNETFRPGGGNIKDNWRSELYKYKVVQIE ; _entity_poly.pdbx_strand_id A,C _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 VAL n 1 2 TRP n 1 3 LYS n 1 4 ASP n 1 5 ALA n 1 6 ASP n 1 7 THR n 1 8 THR n 1 9 LEU n 1 10 PHE n 1 11 CYS n 1 12 ALA n 1 13 SER n 1 14 ASP n 1 15 ALA n 1 16 LYS n 1 17 ALA n 1 18 HIS n 1 19 GLU n 1 20 THR n 1 21 GLU n 1 22 VAL n 1 23 HIS n 1 24 ASN n 1 25 VAL n 1 26 TRP n 1 27 ALA n 1 28 THR n 1 29 HIS n 1 30 ALA n 1 31 CYS n 1 32 VAL n 1 33 PRO n 1 34 THR n 1 35 ASP n 1 36 PRO n 1 37 ASN n 1 38 PRO n 1 39 GLN n 1 40 GLU n 1 41 ILE n 1 42 HIS n 1 43 LEU n 1 44 GLU n 1 45 ASN n 1 46 VAL n 1 47 THR n 1 48 GLU n 1 49 ASN n 1 50 PHE n 1 51 ASN n 1 52 MET n 1 53 TRP n 1 54 LYS n 1 55 ASN n 1 56 ASN n 1 57 MET n 1 58 VAL n 1 59 GLU n 1 60 GLN n 1 61 MET n 1 62 GLN n 1 63 GLU n 1 64 ASP n 1 65 VAL n 1 66 ILE n 1 67 SER n 1 68 LEU n 1 69 TRP n 1 70 ASP n 1 71 GLN n 1 72 SER n 1 73 LEU n 1 74 GLN n 1 75 PRO n 1 76 CYS n 1 77 VAL n 1 78 LYS n 1 79 LEU n 1 80 THR n 1 81 GLY n 1 82 GLY n 1 83 SER n 1 84 VAL n 1 85 ILE n 1 86 LYS n 1 87 GLN n 1 88 ALA n 1 89 CYS n 1 90 PRO n 1 91 LYS n 1 92 ILE n 1 93 SER n 1 94 PHE n 1 95 ASP n 1 96 PRO n 1 97 ILE n 1 98 PRO n 1 99 ILE n 1 100 HIS n 1 101 TYR n 1 102 CYS n 1 103 THR n 1 104 PRO n 1 105 ALA n 1 106 GLY n 1 107 TYR n 1 108 VAL n 1 109 ILE n 1 110 LEU n 1 111 LYS n 1 112 CYS n 1 113 ASN n 1 114 ASP n 1 115 LYS n 1 116 ASN n 1 117 PHE n 1 118 ASN n 1 119 GLY n 1 120 THR n 1 121 GLY n 1 122 PRO n 1 123 CYS n 1 124 LYS n 1 125 ASN n 1 126 VAL n 1 127 SER n 1 128 SER n 1 129 VAL n 1 130 GLN n 1 131 CYS n 1 132 THR n 1 133 HIS n 1 134 GLY n 1 135 ILE n 1 136 LYS n 1 137 PRO n 1 138 VAL n 1 139 VAL n 1 140 SER n 1 141 THR n 1 142 GLN n 1 143 LEU n 1 144 LEU n 1 145 LEU n 1 146 ASN n 1 147 GLY n 1 148 SER n 1 149 LEU n 1 150 ALA n 1 151 GLU n 1 152 GLU n 1 153 GLU n 1 154 ILE n 1 155 ILE n 1 156 ILE n 1 157 ARG n 1 158 SER n 1 159 GLU n 1 160 ASN n 1 161 LEU n 1 162 THR n 1 163 ASN n 1 164 ASN n 1 165 ALA n 1 166 LYS n 1 167 THR n 1 168 ILE n 1 169 ILE n 1 170 VAL n 1 171 HIS n 1 172 LEU n 1 173 ASN n 1 174 LYS n 1 175 SER n 1 176 VAL n 1 177 GLU n 1 178 ILE n 1 179 ASN n 1 180 CYS n 1 181 THR n 1 182 ARG n 1 183 PRO n 1 184 SER n 1 185 ASN n 1 186 GLY n 1 187 GLY n 1 188 SER n 1 189 GLY n 1 190 SER n 1 191 GLY n 1 192 GLY n 1 193 ASP n 1 194 ILE n 1 195 ARG n 1 196 LYS n 1 197 ALA n 1 198 TYR n 1 199 CYS n 1 200 GLU n 1 201 ILE n 1 202 ASN n 1 203 GLY n 1 204 THR n 1 205 LYS n 1 206 TRP n 1 207 ASN n 1 208 LYS n 1 209 VAL n 1 210 LEU n 1 211 LYS n 1 212 GLN n 1 213 VAL n 1 214 THR n 1 215 GLU n 1 216 LYS n 1 217 LEU n 1 218 LYS n 1 219 GLU n 1 220 HIS n 1 221 PHE n 1 222 ASN n 1 223 ASN n 1 224 LYS n 1 225 THR n 1 226 ILE n 1 227 ILE n 1 228 PHE n 1 229 GLN n 1 230 PRO n 1 231 PRO n 1 232 SER n 1 233 GLY n 1 234 GLY n 1 235 ASP n 1 236 LEU n 1 237 GLU n 1 238 ILE n 1 239 THR n 1 240 MET n 1 241 HIS n 1 242 SER n 1 243 PHE n 1 244 ASN n 1 245 CYS n 1 246 ARG n 1 247 GLY n 1 248 GLU n 1 249 PHE n 1 250 PHE n 1 251 TYR n 1 252 CYS n 1 253 ASN n 1 254 THR n 1 255 THR n 1 256 GLN n 1 257 LEU n 1 258 PHE n 1 259 ASN n 1 260 ASN n 1 261 THR n 1 262 CYS n 1 263 ILE n 1 264 GLY n 1 265 ASN n 1 266 GLU n 1 267 THR n 1 268 MET n 1 269 LYS n 1 270 GLY n 1 271 CYS n 1 272 ASN n 1 273 GLY n 1 274 THR n 1 275 ILE n 1 276 THR n 1 277 LEU n 1 278 PRO n 1 279 CYS n 1 280 LYS n 1 281 ILE n 1 282 LYS n 1 283 GLN n 1 284 ILE n 1 285 ILE n 1 286 ASN n 1 287 MET n 1 288 TRP n 1 289 GLN n 1 290 GLY n 1 291 THR n 1 292 GLY n 1 293 GLN n 1 294 ALA n 1 295 MET n 1 296 TYR n 1 297 ALA n 1 298 PRO n 1 299 PRO n 1 300 ILE n 1 301 ASP n 1 302 GLY n 1 303 LYS n 1 304 ILE n 1 305 ASN n 1 306 CYS n 1 307 VAL n 1 308 SER n 1 309 ASN n 1 310 ILE n 1 311 THR n 1 312 GLY n 1 313 ILE n 1 314 LEU n 1 315 LEU n 1 316 THR n 1 317 ARG n 1 318 ASP n 1 319 GLY n 1 320 GLY n 1 321 ALA n 1 322 ASN n 1 323 ASN n 1 324 THR n 1 325 SER n 1 326 ASN n 1 327 GLU n 1 328 THR n 1 329 PHE n 1 330 ARG n 1 331 PRO n 1 332 GLY n 1 333 GLY n 1 334 GLY n 1 335 ASN n 1 336 ILE n 1 337 LYS n 1 338 ASP n 1 339 ASN n 1 340 TRP n 1 341 ARG n 1 342 SER n 1 343 GLU n 1 344 LEU n 1 345 TYR n 1 346 LYS n 1 347 TYR n 1 348 LYS n 1 349 VAL n 1 350 VAL n 1 351 GLN n 1 352 ILE n 1 353 GLU 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 HIV-1 _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'HIV-1 Env' _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain 'clade A/E 93TH057' _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 'HUMAN IMMUNODEFICIENCY VIRUS TYPE 1' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 11686 _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 'Homo sapiens' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 9606 _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 293F _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 plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pVRC8400 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name PDB _struct_ref.db_code 4DKP _struct_ref.pdbx_db_accession 4DKP _struct_ref.entity_id 1 _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_db_isoform ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 4DKP A 1 ? 353 ? 4DKP 44 ? 492 ? 44 492 2 1 4DKP C 1 ? 353 ? 4DKP 44 ? 492 ? 44 492 # 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 0LL non-polymer . "N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide" ? 'C17 H15 Cl F N3 O2' 347.771 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 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 EPE non-polymer . '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' HEPES 'C8 H18 N2 O4 S' 238.305 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 4DKP _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.68 _exptl_crystal.density_percent_sol 54.06 _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 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.5 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details ;10% PEG 8000, 5% iso-propanol, 0.1M HEPES 7.5 , VAPOR DIFFUSION, HANGING DROP, temperature 293K ; # _diffrn.id 1 _diffrn.ambient_temp ? _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type 'MAR scanner 300 mm plate' _diffrn_detector.pdbx_collection_date 2011-01-01 _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 ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'APS BEAMLINE 22-ID' _diffrn_source.pdbx_synchrotron_site APS _diffrn_source.pdbx_synchrotron_beamline 22-ID _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1 # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4DKP _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F 0.0 _reflns.d_resolution_low 50 _reflns.d_resolution_high 1.7978 _reflns.number_obs 74276 _reflns.number_all 76573 _reflns.percent_possible_obs 97.0 _reflns.pdbx_Rmerge_I_obs 0.049 _reflns.pdbx_Rsym_value 0.063 _reflns.pdbx_netI_over_sigmaI 17.44 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 3.3 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 1.7978 _reflns_shell.d_res_low 1.83 _reflns_shell.percent_possible_all 72.9 _reflns_shell.Rmerge_I_obs 0.509 _reflns_shell.pdbx_Rsym_value 0.598 _reflns_shell.meanI_over_sigI_obs 1.18 _reflns_shell.pdbx_redundancy 1.9 _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 ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4DKP _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 74205 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.34 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 33.705 _refine.ls_d_res_high 1.7978 _refine.ls_percent_reflns_obs 96.32 _refine.ls_R_factor_obs 0.2002 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1988 _refine.ls_R_factor_R_free 0.2247 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.10 _refine.ls_number_reflns_R_free 3782 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min 1.000 _refine.occupancy_max 1.000 _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean ? _refine.aniso_B[1][1] 5.1907 _refine.aniso_B[2][2] -1.0821 _refine.aniso_B[3][3] -4.1086 _refine.aniso_B[1][2] -0.0000 _refine.aniso_B[1][3] -4.7065 _refine.aniso_B[2][3] -0.0000 _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol 0.387 _refine.solvent_model_param_bsol 45.315 _refine.pdbx_solvent_vdw_probe_radii 1.10 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.86 _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model 3TGT _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details Random _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.25 _refine.pdbx_overall_phase_error 24.53 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _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 5308 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 384 _refine_hist.number_atoms_solvent 479 _refine_hist.number_atoms_total 6171 _refine_hist.d_res_high 1.7978 _refine_hist.d_res_low 33.705 # 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 f_bond_d 0.002 ? ? 5842 'X-RAY DIFFRACTION' ? f_angle_d 0.699 ? ? 7927 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 13.605 ? ? 2195 'X-RAY DIFFRACTION' ? f_chiral_restr 0.085 ? ? 922 'X-RAY DIFFRACTION' ? f_plane_restr 0.003 ? ? 982 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.number_reflns_obs 'X-RAY DIFFRACTION' . 1.7978 1.8206 1597 0.3704 60.00 0.3197 . . 79 . . . . 'X-RAY DIFFRACTION' . 1.8206 1.8446 2106 0.3586 78.00 0.3814 . . 100 . . . . 'X-RAY DIFFRACTION' . 1.8446 1.8698 2302 0.3201 85.00 0.3764 . . 119 . . . . 'X-RAY DIFFRACTION' . 1.8698 1.8965 2465 0.2906 91.00 0.3041 . . 125 . . . . 'X-RAY DIFFRACTION' . 1.8965 1.9248 2543 0.2660 95.00 0.2690 . . 139 . . . . 'X-RAY DIFFRACTION' . 1.9248 1.9549 2643 0.2588 98.00 0.2973 . . 173 . . . . 'X-RAY DIFFRACTION' . 1.9549 1.9870 2618 0.2338 99.00 0.2978 . . 138 . . . . 'X-RAY DIFFRACTION' . 1.9870 2.0212 2738 0.2240 100.00 0.2850 . . 139 . . . . 'X-RAY DIFFRACTION' . 2.0212 2.0580 2673 0.2095 100.00 0.2480 . . 159 . . . . 'X-RAY DIFFRACTION' . 2.0580 2.0975 2695 0.2138 100.00 0.2592 . . 140 . . . . 'X-RAY DIFFRACTION' . 2.0975 2.1404 2680 0.2058 100.00 0.2685 . . 173 . . . . 'X-RAY DIFFRACTION' . 2.1404 2.1869 2654 0.2172 100.00 0.2521 . . 133 . . . . 'X-RAY DIFFRACTION' . 2.1869 2.2377 2739 0.2041 100.00 0.2607 . . 122 . . . . 'X-RAY DIFFRACTION' . 2.2377 2.2937 2731 0.2040 100.00 0.2420 . . 136 . . . . 'X-RAY DIFFRACTION' . 2.2937 2.3557 2682 0.2060 100.00 0.2410 . . 140 . . . . 'X-RAY DIFFRACTION' . 2.3557 2.4250 2704 0.2141 100.00 0.2857 . . 142 . . . . 'X-RAY DIFFRACTION' . 2.4250 2.5032 2688 0.2147 100.00 0.2670 . . 158 . . . . 'X-RAY DIFFRACTION' . 2.5032 2.5927 2709 0.2038 100.00 0.2474 . . 150 . . . . 'X-RAY DIFFRACTION' . 2.5927 2.6964 2728 0.2018 100.00 0.2438 . . 149 . . . . 'X-RAY DIFFRACTION' . 2.6964 2.8191 2701 0.2039 100.00 0.2385 . . 133 . . . . 'X-RAY DIFFRACTION' . 2.8191 2.9677 2721 0.1962 100.00 0.2322 . . 131 . . . . 'X-RAY DIFFRACTION' . 2.9677 3.1535 2736 0.1873 100.00 0.2207 . . 125 . . . . 'X-RAY DIFFRACTION' . 3.1535 3.3967 2714 0.1871 100.00 0.1959 . . 144 . . . . 'X-RAY DIFFRACTION' . 3.3967 3.7382 2696 0.1751 100.00 0.1964 . . 146 . . . . 'X-RAY DIFFRACTION' . 3.7382 4.2782 2725 0.1652 99.00 0.1964 . . 158 . . . . 'X-RAY DIFFRACTION' . 4.2782 5.3865 2699 0.1664 99.00 0.1737 . . 172 . . . . 'X-RAY DIFFRACTION' . 5.3865 33.7114 2736 0.2105 98.00 0.2084 . . 159 . . . . # _struct.entry_id 4DKP _struct.title 'Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AWS-I-50' _struct.pdbx_descriptor 'clade A/E 93TH057 HIV-1 gp120 core' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4DKP _struct_keywords.pdbx_keywords 'VIRAL PROTEIN/INHIBITOR' _struct_keywords.text 'HIV-1 gp120, clade A/E, CD4 mimic, AWS-I-50, VIRAL PROTEIN-INHIBITOR complex' # 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 1 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 2 ? G N N 2 ? H N N 2 ? I N N 2 ? J N N 2 ? K N N 2 ? L N N 2 ? M N N 2 ? N N N 3 ? O N N 4 ? P N N 2 ? Q N N 2 ? R N N 2 ? S N N 2 ? T N N 2 ? U N N 2 ? V N N 2 ? W N N 2 ? X N N 2 ? Y N N 2 ? Z N N 2 ? AA N N 3 ? BA N N 4 ? CA N N 5 ? DA N N 5 ? # _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 21 ? ALA A 30 ? GLU A 64 ALA A 73 1 ? 10 HELX_P HELX_P2 2 ASN A 55 ? LEU A 73 ? ASN A 98 LEU A 116 1 ? 19 HELX_P HELX_P3 3 GLY A 203 ? PHE A 221 ? GLY A 335 PHE A 353 1 ? 19 HELX_P HELX_P4 4 ASP A 235 ? MET A 240 ? ASP A 368 MET A 373 1 ? 6 HELX_P HELX_P5 5 ILE A 336 ? TYR A 345 ? ILE A 475 TYR A 484 1 ? 10 HELX_P HELX_P6 6 GLU B 21 ? ALA B 30 ? GLU C 64 ALA C 73 1 ? 10 HELX_P HELX_P7 7 ASN B 55 ? LEU B 73 ? ASN C 98 LEU C 116 1 ? 19 HELX_P HELX_P8 8 GLY B 203 ? PHE B 221 ? GLY C 335 PHE C 353 1 ? 19 HELX_P HELX_P9 9 ASP B 235 ? MET B 240 ? ASP C 368 MET C 373 1 ? 6 HELX_P HELX_P10 10 THR B 254 ? ASN B 259 ? THR C 387 ASN C 392 5 ? 6 HELX_P HELX_P11 11 ILE B 336 ? TYR B 345 ? ILE C 475 TYR C 484 1 ? 10 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 11 SG ? ? ? 1_555 A CYS 31 SG ? ? A CYS 54 A CYS 74 1_555 ? ? ? ? ? ? ? 2.034 ? disulf2 disulf ? ? A CYS 76 SG ? ? ? 1_555 A CYS 89 SG ? ? A CYS 119 A CYS 205 1_555 ? ? ? ? ? ? ? 2.031 ? disulf3 disulf ? ? A CYS 102 SG ? ? ? 1_555 A CYS 131 SG ? ? A CYS 218 A CYS 247 1_555 ? ? ? ? ? ? ? 2.035 ? disulf4 disulf ? ? A CYS 112 SG ? ? ? 1_555 A CYS 123 SG ? ? A CYS 228 A CYS 239 1_555 ? ? ? ? ? ? ? 2.035 ? disulf5 disulf ? ? A CYS 180 SG ? ? ? 1_555 A CYS 199 SG ? ? A CYS 296 A CYS 331 1_555 ? ? ? ? ? ? ? 2.030 ? disulf6 disulf ? ? A CYS 245 SG ? ? ? 1_555 A CYS 306 SG ? ? A CYS 378 A CYS 445 1_555 ? ? ? ? ? ? ? 2.032 ? disulf7 disulf ? ? A CYS 252 SG ? ? ? 1_555 A CYS 279 SG ? ? A CYS 385 A CYS 418 1_555 ? ? ? ? ? ? ? 2.034 ? disulf8 disulf ? ? B CYS 11 SG ? ? ? 1_555 B CYS 31 SG ? ? C CYS 54 C CYS 74 1_555 ? ? ? ? ? ? ? 2.034 ? disulf9 disulf ? ? B CYS 76 SG ? ? ? 1_555 B CYS 89 SG ? ? C CYS 119 C CYS 205 1_555 ? ? ? ? ? ? ? 2.029 ? disulf10 disulf ? ? B CYS 102 SG ? ? ? 1_555 B CYS 131 SG ? ? C CYS 218 C CYS 247 1_555 ? ? ? ? ? ? ? 2.033 ? disulf11 disulf ? ? B CYS 112 SG ? ? ? 1_555 B CYS 123 SG ? ? C CYS 228 C CYS 239 1_555 ? ? ? ? ? ? ? 2.033 ? disulf12 disulf ? ? B CYS 180 SG ? ? ? 1_555 B CYS 199 SG ? ? C CYS 296 C CYS 331 1_555 ? ? ? ? ? ? ? 2.031 ? disulf13 disulf ? ? B CYS 245 SG ? ? ? 1_555 B CYS 306 SG ? ? C CYS 378 C CYS 445 1_555 ? ? ? ? ? ? ? 2.030 ? disulf14 disulf ? ? B CYS 252 SG ? ? ? 1_555 B CYS 279 SG ? ? C CYS 385 C CYS 418 1_555 ? ? ? ? ? ? ? 2.032 ? covale1 covale ? ? A ASN 223 ND2 ? ? ? 1_555 J NAG . C1 ? ? A ASN 355 A NAG 508 1_555 ? ? ? ? ? ? ? 1.435 ? covale2 covale ? ? B ASN 179 ND2 ? ? ? 1_555 U NAG . C1 ? ? C ASN 295 C NAG 506 1_555 ? ? ? ? ? ? ? 1.437 ? covale3 covale ? ? A ASN 259 ND2 ? ? ? 1_555 L NAG . C1 ? ? A ASN 392 A NAG 510 1_555 ? ? ? ? ? ? ? 1.438 ? covale4 covale ? ? A ASN 118 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 234 A NAG 501 1_555 ? ? ? ? ? ? ? 1.439 ? covale5 covale ? ? B ASN 309 ND2 ? ? ? 1_555 Z NAG . C1 ? ? C ASN 448 C NAG 511 1_555 ? ? ? ? ? ? ? 1.439 ? covale6 covale ? ? B ASN 223 ND2 ? ? ? 1_555 W NAG . C1 ? ? C ASN 355 C NAG 508 1_555 ? ? ? ? ? ? ? 1.439 ? covale7 covale ? ? A ASN 309 ND2 ? ? ? 1_555 M NAG . C1 ? ? A ASN 448 A NAG 511 1_555 ? ? ? ? ? ? ? 1.440 ? covale8 covale ? ? A ASN 253 ND2 ? ? ? 1_555 K NAG . C1 ? ? A ASN 386 A NAG 509 1_555 ? ? ? ? ? ? ? 1.440 ? covale9 covale ? ? B ASN 259 ND2 ? ? ? 1_555 Y NAG . C1 ? ? C ASN 392 C NAG 510 1_555 ? ? ? ? ? ? ? 1.440 ? covale10 covale ? ? B ASN 253 ND2 ? ? ? 1_555 X NAG . C1 ? ? C ASN 386 C NAG 509 1_555 ? ? ? ? ? ? ? 1.440 ? covale11 covale ? ? A ASN 179 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 295 A NAG 506 1_555 ? ? ? ? ? ? ? 1.440 ? covale12 covale ? ? A ASN 125 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 241 A NAG 502 1_555 ? ? ? ? ? ? ? 1.440 ? covale13 covale ? ? B ASN 118 ND2 ? ? ? 1_555 P NAG . C1 ? ? C ASN 234 C NAG 501 1_555 ? ? ? ? ? ? ? 1.441 ? covale14 covale ? ? A ASN 160 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 276 A NAG 504 1_555 ? ? ? ? ? ? ? 1.441 ? covale15 covale ? ? B ASN 160 ND2 ? ? ? 1_555 S NAG . C1 ? ? C ASN 276 C NAG 504 1_555 ? ? ? ? ? ? ? 1.441 ? covale16 covale ? ? B ASN 146 ND2 ? ? ? 1_555 R NAG . C1 ? ? C ASN 262 C NAG 503 1_555 ? ? ? ? ? ? ? 1.441 ? covale17 covale ? ? B ASN 202 ND2 ? ? ? 1_555 V NAG . C1 ? ? C ASN 334 C NAG 507 1_555 ? ? ? ? ? ? ? 1.441 ? covale18 covale ? ? A ASN 173 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 289 A NAG 505 1_555 ? ? ? ? ? ? ? 1.443 ? covale19 covale ? ? B ASN 173 ND2 ? ? ? 1_555 T NAG . C1 ? ? C ASN 289 C NAG 505 1_555 ? ? ? ? ? ? ? 1.443 ? covale20 covale ? ? A ASN 202 ND2 ? ? ? 1_555 I NAG . C1 ? ? A ASN 334 A NAG 507 1_555 ? ? ? ? ? ? ? 1.443 ? covale21 covale ? ? A ASN 146 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 262 A NAG 503 1_555 ? ? ? ? ? ? ? 1.444 ? covale22 covale ? ? B ASN 125 ND2 ? ? ? 1_555 Q NAG . C1 ? ? C ASN 241 C NAG 502 1_555 ? ? ? ? ? ? ? 1.451 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 5 ? B ? 3 ? C ? 2 ? D ? 4 ? E ? 5 ? F ? 7 ? G ? 5 ? H ? 3 ? I ? 2 ? J ? 4 ? K ? 5 ? L ? 7 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel B 1 2 ? parallel B 2 3 ? anti-parallel C 1 2 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 4 5 ? parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 4 5 ? anti-parallel F 5 6 ? anti-parallel F 6 7 ? anti-parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel G 4 5 ? anti-parallel H 1 2 ? parallel H 2 3 ? anti-parallel I 1 2 ? anti-parallel J 1 2 ? anti-parallel J 2 3 ? anti-parallel J 3 4 ? anti-parallel K 1 2 ? anti-parallel K 2 3 ? anti-parallel K 4 5 ? parallel L 1 2 ? anti-parallel L 2 3 ? anti-parallel L 4 5 ? anti-parallel L 5 6 ? anti-parallel L 6 7 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 TRP A 2 ? ASP A 4 ? TRP A 45 ASP A 47 A 2 TYR A 347 ? ILE A 352 ? TYR A 486 ILE A 491 A 3 TYR A 107 ? CYS A 112 ? TYR A 223 CYS A 228 A 4 VAL A 126 ? VAL A 129 ? VAL A 242 VAL A 245 A 5 GLU A 40 ? HIS A 42 ? GLU A 83 HIS A 85 B 1 CYS A 31 ? PRO A 33 ? CYS A 74 PRO A 76 B 2 PHE A 10 ? SER A 13 ? PHE A 53 SER A 56 B 3 HIS A 100 ? CYS A 102 ? HIS A 216 CYS A 218 C 1 GLU A 48 ? ASN A 51 ? GLU A 91 ASN A 94 C 2 THR A 120 ? CYS A 123 ? THR A 236 CYS A 239 D 1 SER A 83 ? LYS A 86 ? SER A 199 LYS A 202 D 2 VAL A 77 ? THR A 80 ? VAL A 120 THR A 123 D 3 GLN A 293 ? MET A 295 ? GLN A 432 MET A 434 D 4 ILE A 284 ? ASN A 286 ? ILE A 423 ASN A 425 E 1 LEU A 143 ? LEU A 145 ? LEU A 259 LEU A 261 E 2 ILE A 304 ? ARG A 317 ? ILE A 443 ARG A 456 E 3 ILE A 168 ? ARG A 182 ? ILE A 284 ARG A 298 E 4 ASN A 326 ? PRO A 331 ? ASN A 465 PRO A 470 E 5 THR A 225 ? PHE A 228 ? THR A 358 PHE A 361 F 1 ILE A 155 ? ARG A 157 ? ILE A 271 ARG A 273 F 2 ILE A 168 ? ARG A 182 ? ILE A 284 ARG A 298 F 3 ILE A 304 ? ARG A 317 ? ILE A 443 ARG A 456 F 4 LYS A 196 ? ASN A 202 ? LYS A 328 ASN A 334 F 5 THR A 274 ? ILE A 281 ? THR A 413 ILE A 420 F 6 GLU A 248 ? CYS A 252 ? GLU A 381 CYS A 385 F 7 HIS A 241 ? CYS A 245 ? HIS A 374 CYS A 378 G 1 TRP B 2 ? ASP B 4 ? TRP C 45 ASP C 47 G 2 TYR B 347 ? ILE B 352 ? TYR C 486 ILE C 491 G 3 TYR B 107 ? CYS B 112 ? TYR C 223 CYS C 228 G 4 VAL B 126 ? VAL B 129 ? VAL C 242 VAL C 245 G 5 ILE B 41 ? HIS B 42 ? ILE C 84 HIS C 85 H 1 CYS B 31 ? PRO B 33 ? CYS C 74 PRO C 76 H 2 PHE B 10 ? SER B 13 ? PHE C 53 SER C 56 H 3 HIS B 100 ? CYS B 102 ? HIS C 216 CYS C 218 I 1 GLU B 48 ? ASN B 51 ? GLU C 91 ASN C 94 I 2 THR B 120 ? CYS B 123 ? THR C 236 CYS C 239 J 1 SER B 83 ? LYS B 86 ? SER C 199 LYS C 202 J 2 VAL B 77 ? THR B 80 ? VAL C 120 THR C 123 J 3 GLY B 292 ? MET B 295 ? GLY C 431 MET C 434 J 4 ILE B 284 ? ASN B 286 ? ILE C 423 ASN C 425 K 1 LEU B 143 ? LEU B 145 ? LEU C 259 LEU C 261 K 2 ILE B 304 ? ARG B 317 ? ILE C 443 ARG C 456 K 3 ILE B 168 ? ARG B 182 ? ILE C 284 ARG C 298 K 4 ASN B 326 ? PRO B 331 ? ASN C 465 PRO C 470 K 5 THR B 225 ? PHE B 228 ? THR C 358 PHE C 361 L 1 ILE B 155 ? ARG B 157 ? ILE C 271 ARG C 273 L 2 ILE B 168 ? ARG B 182 ? ILE C 284 ARG C 298 L 3 ILE B 304 ? ARG B 317 ? ILE C 443 ARG C 456 L 4 LYS B 196 ? ASN B 202 ? LYS C 328 ASN C 334 L 5 THR B 274 ? ILE B 281 ? THR C 413 ILE C 420 L 6 GLU B 248 ? CYS B 252 ? GLU C 381 CYS C 385 L 7 HIS B 241 ? CYS B 245 ? HIS C 374 CYS C 378 # 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 LYS A 3 ? N LYS A 46 O GLN A 351 ? O GLN A 490 A 2 3 O LYS A 348 ? O LYS A 487 N LEU A 110 ? N LEU A 226 A 3 4 N LYS A 111 ? N LYS A 227 O SER A 127 ? O SER A 243 A 4 5 O SER A 128 ? O SER A 244 N ILE A 41 ? N ILE A 84 B 1 2 O VAL A 32 ? O VAL A 75 N CYS A 11 ? N CYS A 54 B 2 3 N ALA A 12 ? N ALA A 55 O HIS A 100 ? O HIS A 216 C 1 2 N PHE A 50 ? N PHE A 93 O GLY A 121 ? O GLY A 237 D 1 2 O ILE A 85 ? O ILE A 201 N LYS A 78 ? N LYS A 121 D 2 3 N LEU A 79 ? N LEU A 122 O GLN A 293 ? O GLN A 432 D 3 4 O ALA A 294 ? O ALA A 433 N ILE A 285 ? N ILE A 424 E 1 2 N LEU A 144 ? N LEU A 260 O THR A 311 ? O THR A 450 E 2 3 O ILE A 313 ? O ILE A 452 N VAL A 170 ? N VAL A 286 E 4 5 O PHE A 329 ? O PHE A 468 N ILE A 227 ? N ILE A 360 F 1 2 N ILE A 155 ? N ILE A 271 O HIS A 171 ? O HIS A 287 F 2 3 N VAL A 170 ? N VAL A 286 O ILE A 313 ? O ILE A 452 F 4 5 N ILE A 201 ? N ILE A 333 O ILE A 275 ? O ILE A 414 F 5 6 O LYS A 280 ? O LYS A 419 N TYR A 251 ? N TYR A 384 F 6 7 O GLU A 248 ? O GLU A 381 N CYS A 245 ? N CYS A 378 G 1 2 N LYS B 3 ? N LYS C 46 O GLN B 351 ? O GLN C 490 G 2 3 O LYS B 348 ? O LYS C 487 N LEU B 110 ? N LEU C 226 G 3 4 N LYS B 111 ? N LYS C 227 O SER B 127 ? O SER C 243 G 4 5 O SER B 128 ? O SER C 244 N ILE B 41 ? N ILE C 84 H 1 2 O VAL B 32 ? O VAL C 75 N SER B 13 ? N SER C 56 H 2 3 N ALA B 12 ? N ALA C 55 O HIS B 100 ? O HIS C 216 I 1 2 N PHE B 50 ? N PHE C 93 O GLY B 121 ? O GLY C 237 J 1 2 O ILE B 85 ? O ILE C 201 N LYS B 78 ? N LYS C 121 J 2 3 N LEU B 79 ? N LEU C 122 O GLN B 293 ? O GLN C 432 J 3 4 O ALA B 294 ? O ALA C 433 N ILE B 285 ? N ILE C 424 K 1 2 N LEU B 144 ? N LEU C 260 O GLY B 312 ? O GLY C 451 K 2 3 O ILE B 304 ? O ILE C 443 N ARG B 182 ? N ARG C 298 K 4 5 O PHE B 329 ? O PHE C 468 N ILE B 227 ? N ILE C 360 L 1 2 N ARG B 157 ? N ARG C 273 O ILE B 169 ? O ILE C 285 L 2 3 N ARG B 182 ? N ARG C 298 O ILE B 304 ? O ILE C 443 L 4 5 N ILE B 201 ? N ILE C 333 O ILE B 275 ? O ILE C 414 L 5 6 O LYS B 280 ? O LYS C 419 N TYR B 251 ? N TYR C 384 L 6 7 O CYS B 252 ? O CYS C 385 N HIS B 241 ? N HIS C 374 # 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 ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 501' AC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 502' AC3 Software ? ? ? ? 12 'BINDING SITE FOR RESIDUE NAG A 503' AC4 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 504' AC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 505' AC6 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 506' AC7 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 507' AC8 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE NAG A 508' AC9 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 509' BC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 510' BC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 511' BC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE EPE A 512' BC4 Software ? ? ? ? 10 'BINDING SITE FOR RESIDUE 0LL A 513' BC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG C 501' BC6 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG C 502' BC7 Software ? ? ? ? 14 'BINDING SITE FOR RESIDUE NAG C 503' BC8 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG C 504' BC9 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG C 505' CC1 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG C 506' CC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG C 507' CC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG C 508' CC4 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG C 509' CC5 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG C 510' CC6 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG C 511' CC7 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE EPE C 512' CC8 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE 0LL C 513' # 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 6 ASN A 118 ? ASN A 234 . ? 1_555 ? 2 AC1 6 THR A 120 ? THR A 236 . ? 1_555 ? 3 AC1 6 ILE A 156 ? ILE A 272 . ? 1_555 ? 4 AC1 6 HIS A 220 ? HIS A 352 . ? 1_555 ? 5 AC1 6 HOH CA . ? HOH A 662 . ? 1_555 ? 6 AC1 6 HOH CA . ? HOH A 774 . ? 1_555 ? 7 AC2 3 ASP A 114 ? ASP A 230 . ? 1_555 ? 8 AC2 3 LYS A 115 ? LYS A 231 . ? 1_555 ? 9 AC2 3 ASN A 125 ? ASN A 241 . ? 1_555 ? 10 AC3 12 LYS A 136 ? LYS A 252 . ? 1_555 ? 11 AC3 12 ASN A 146 ? ASN A 262 . ? 1_555 ? 12 AC3 12 ARG A 246 ? ARG A 379 . ? 1_555 ? 13 AC3 12 CYS A 306 ? CYS A 445 . ? 1_555 ? 14 AC3 12 VAL A 307 ? VAL A 446 . ? 1_555 ? 15 AC3 12 SER A 308 ? SER A 447 . ? 1_555 ? 16 AC3 12 NAG M . ? NAG A 511 . ? 1_555 ? 17 AC3 12 HOH CA . ? HOH A 613 . ? 1_555 ? 18 AC3 12 HOH CA . ? HOH A 618 . ? 1_555 ? 19 AC3 12 HOH CA . ? HOH A 645 . ? 1_555 ? 20 AC3 12 HOH CA . ? HOH A 710 . ? 1_555 ? 21 AC3 12 HOH CA . ? HOH A 782 . ? 1_555 ? 22 AC4 3 ASN A 160 ? ASN A 276 . ? 1_555 ? 23 AC4 3 ASN A 163 ? ASN A 279 . ? 1_555 ? 24 AC4 3 HIS B 18 ? HIS C 61 . ? 1_555 ? 25 AC5 6 GLU A 153 ? GLU A 269 . ? 1_555 ? 26 AC5 6 ILE A 154 ? ILE A 270 . ? 1_555 ? 27 AC5 6 ASN A 173 ? ASN A 289 . ? 1_555 ? 28 AC5 6 LYS A 216 ? LYS A 348 . ? 1_555 ? 29 AC5 6 HOH CA . ? HOH A 718 . ? 1_555 ? 30 AC5 6 HOH CA . ? HOH A 801 . ? 1_555 ? 31 AC6 3 ASN A 179 ? ASN A 295 . ? 1_555 ? 32 AC6 3 GLU A 200 ? GLU A 332 . ? 1_555 ? 33 AC6 3 HOH CA . ? HOH A 664 . ? 1_555 ? 34 AC7 3 ASN A 202 ? ASN A 334 . ? 1_555 ? 35 AC7 3 THR A 204 ? THR A 336 . ? 1_555 ? 36 AC7 3 LYS A 205 ? LYS A 337 . ? 1_555 ? 37 AC8 8 ASN A 222 ? ASN A 354 . ? 1_555 ? 38 AC8 8 ASN A 223 ? ASN A 355 . ? 1_555 ? 39 AC8 8 HOH CA . ? HOH A 760 . ? 1_555 ? 40 AC8 8 HOH CA . ? HOH A 874 . ? 1_555 ? 41 AC8 8 HOH CA . ? HOH A 881 . ? 1_555 ? 42 AC8 8 HOH CA . ? HOH A 893 . ? 1_555 ? 43 AC8 8 PRO B 98 ? PRO C 214 . ? 1_555 ? 44 AC8 8 LYS B 136 ? LYS C 252 . ? 1_555 ? 45 AC9 3 ASN A 253 ? ASN A 386 . ? 1_555 ? 46 AC9 3 THR A 255 ? THR A 388 . ? 1_555 ? 47 AC9 3 HOH CA . ? HOH A 817 . ? 1_555 ? 48 BC1 4 THR A 255 ? THR A 388 . ? 1_555 ? 49 BC1 4 GLN A 256 ? GLN A 389 . ? 1_555 ? 50 BC1 4 ASN A 259 ? ASN A 392 . ? 1_555 ? 51 BC1 4 CYS A 262 ? CYS A 395 . ? 1_555 ? 52 BC2 4 ASN A 146 ? ASN A 262 . ? 1_555 ? 53 BC2 4 SER A 175 ? SER A 291 . ? 1_555 ? 54 BC2 4 ASN A 309 ? ASN A 448 . ? 1_555 ? 55 BC2 4 NAG E . ? NAG A 503 . ? 1_555 ? 56 BC3 6 LEU A 9 ? LEU A 52 . ? 1_555 ? 57 BC3 6 HIS A 29 ? HIS A 72 . ? 1_555 ? 58 BC3 6 ALA A 30 ? ALA A 73 . ? 1_555 ? 59 BC3 6 GLN A 60 ? GLN A 103 . ? 1_555 ? 60 BC3 6 ASP A 64 ? ASP A 107 . ? 1_555 ? 61 BC3 6 HOH CA . ? HOH A 666 . ? 1_555 ? 62 BC4 10 SER A 140 ? SER A 256 . ? 1_555 ? 63 BC4 10 THR A 141 ? THR A 257 . ? 1_555 ? 64 BC4 10 GLU A 237 ? GLU A 370 . ? 1_555 ? 65 BC4 10 SER A 242 ? SER A 375 . ? 1_555 ? 66 BC4 10 PHE A 243 ? PHE A 376 . ? 1_555 ? 67 BC4 10 ASN A 286 ? ASN A 425 . ? 1_555 ? 68 BC4 10 TRP A 288 ? TRP A 427 . ? 1_555 ? 69 BC4 10 GLY A 334 ? GLY A 473 . ? 1_555 ? 70 BC4 10 ASN A 335 ? ASN A 474 . ? 1_555 ? 71 BC4 10 HOH CA . ? HOH A 868 . ? 1_555 ? 72 BC5 4 ASN B 118 ? ASN C 234 . ? 1_555 ? 73 BC5 4 THR B 120 ? THR C 236 . ? 1_555 ? 74 BC5 4 HIS B 220 ? HIS C 352 . ? 1_555 ? 75 BC5 4 HOH DA . ? HOH C 752 . ? 1_555 ? 76 BC6 2 ASN B 113 ? ASN C 229 . ? 1_555 ? 77 BC6 2 ASN B 125 ? ASN C 241 . ? 1_555 ? 78 BC7 14 ASN A 222 ? ASN A 354 . ? 1_555 ? 79 BC7 14 ASN A 223 ? ASN A 355 . ? 1_555 ? 80 BC7 14 SER A 325 ? SER A 464 . ? 1_555 ? 81 BC7 14 LYS B 136 ? LYS C 252 . ? 1_555 ? 82 BC7 14 ASN B 146 ? ASN C 262 . ? 1_555 ? 83 BC7 14 ARG B 246 ? ARG C 379 . ? 1_555 ? 84 BC7 14 CYS B 306 ? CYS C 445 . ? 1_555 ? 85 BC7 14 VAL B 307 ? VAL C 446 . ? 1_555 ? 86 BC7 14 SER B 308 ? SER C 447 . ? 1_555 ? 87 BC7 14 NAG Z . ? NAG C 511 . ? 1_555 ? 88 BC7 14 HOH DA . ? HOH C 604 . ? 1_555 ? 89 BC7 14 HOH DA . ? HOH C 605 . ? 1_555 ? 90 BC7 14 HOH DA . ? HOH C 607 . ? 1_555 ? 91 BC7 14 HOH DA . ? HOH C 609 . ? 1_555 ? 92 BC8 3 ASN B 160 ? ASN C 276 . ? 1_555 ? 93 BC8 3 THR B 162 ? THR C 278 . ? 1_555 ? 94 BC8 3 ASN B 163 ? ASN C 279 . ? 1_555 ? 95 BC9 6 GLU B 152 ? GLU C 268 . ? 1_555 ? 96 BC9 6 GLU B 153 ? GLU C 269 . ? 1_555 ? 97 BC9 6 ILE B 154 ? ILE C 270 . ? 1_555 ? 98 BC9 6 ASN B 173 ? ASN C 289 . ? 1_555 ? 99 BC9 6 HOH DA . ? HOH C 729 . ? 1_555 ? 100 BC9 6 HOH DA . ? HOH C 731 . ? 1_555 ? 101 CC1 6 HOH CA . ? HOH A 834 . ? 1_555 ? 102 CC1 6 ASN B 179 ? ASN C 295 . ? 1_555 ? 103 CC1 6 GLU B 200 ? GLU C 332 . ? 1_555 ? 104 CC1 6 HOH DA . ? HOH C 628 . ? 1_555 ? 105 CC1 6 HOH DA . ? HOH C 646 . ? 1_555 ? 106 CC1 6 HOH DA . ? HOH C 742 . ? 1_555 ? 107 CC2 3 ASN B 202 ? ASN C 334 . ? 1_555 ? 108 CC2 3 THR B 204 ? THR C 336 . ? 1_555 ? 109 CC2 3 LYS B 205 ? LYS C 337 . ? 1_555 ? 110 CC3 2 ASN B 222 ? ASN C 354 . ? 1_555 ? 111 CC3 2 ASN B 223 ? ASN C 355 . ? 1_555 ? 112 CC4 4 THR B 239 ? THR C 372 . ? 1_555 ? 113 CC4 4 ASN B 253 ? ASN C 386 . ? 1_555 ? 114 CC4 4 THR B 255 ? THR C 388 . ? 1_555 ? 115 CC4 4 HOH DA . ? HOH C 658 . ? 1_555 ? 116 CC5 3 ASN B 259 ? ASN C 392 . ? 1_555 ? 117 CC5 3 THR B 261 ? THR C 394 . ? 1_555 ? 118 CC5 3 CYS B 262 ? CYS C 395 . ? 1_555 ? 119 CC6 7 LYS A 218 ? LYS A 350 . ? 1_555 ? 120 CC6 7 ASN B 146 ? ASN C 262 . ? 1_555 ? 121 CC6 7 SER B 175 ? SER C 291 . ? 1_555 ? 122 CC6 7 ASN B 309 ? ASN C 448 . ? 1_555 ? 123 CC6 7 NAG R . ? NAG C 503 . ? 1_555 ? 124 CC6 7 HOH DA . ? HOH C 610 . ? 1_555 ? 125 CC6 7 HOH DA . ? HOH C 716 . ? 1_555 ? 126 CC7 6 LEU B 9 ? LEU C 52 . ? 1_555 ? 127 CC7 6 HIS B 29 ? HIS C 72 . ? 1_555 ? 128 CC7 6 ALA B 30 ? ALA C 73 . ? 1_555 ? 129 CC7 6 GLN B 60 ? GLN C 103 . ? 1_555 ? 130 CC7 6 ASP B 64 ? ASP C 107 . ? 1_555 ? 131 CC7 6 HOH DA . ? HOH C 664 . ? 1_555 ? 132 CC8 8 VAL B 139 ? VAL C 255 . ? 1_555 ? 133 CC8 8 SER B 140 ? SER C 256 . ? 1_555 ? 134 CC8 8 GLU B 237 ? GLU C 370 . ? 1_555 ? 135 CC8 8 SER B 242 ? SER C 375 . ? 1_555 ? 136 CC8 8 PHE B 243 ? PHE C 376 . ? 1_555 ? 137 CC8 8 ASN B 244 ? ASN C 377 . ? 1_555 ? 138 CC8 8 ASN B 286 ? ASN C 425 . ? 1_555 ? 139 CC8 8 TRP B 288 ? TRP C 427 . ? 1_555 ? # _atom_sites.entry_id 4DKP _atom_sites.fract_transf_matrix[1][1] 0.015464 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000432 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.014602 _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] 0.010559 _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 F N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . VAL A 1 1 ? 8.228 19.275 24.668 1.00 70.78 ? 44 VAL A N 1 ATOM 2 C CA . VAL A 1 1 ? 8.930 18.535 23.626 1.00 66.98 ? 44 VAL A CA 1 ATOM 3 C C . VAL A 1 1 ? 10.211 17.911 24.173 1.00 53.46 ? 44 VAL A C 1 ATOM 4 O O . VAL A 1 1 ? 11.033 18.594 24.784 1.00 53.30 ? 44 VAL A O 1 ATOM 5 C CB . VAL A 1 1 ? 9.272 19.439 22.427 1.00 66.21 ? 44 VAL A CB 1 ATOM 6 C CG1 . VAL A 1 1 ? 9.945 18.631 21.327 1.00 66.03 ? 44 VAL A CG1 1 ATOM 7 C CG2 . VAL A 1 1 ? 8.016 20.116 21.901 1.00 72.63 ? 44 VAL A CG2 1 ATOM 8 N N . TRP A 1 2 ? 10.374 16.611 23.949 1.00 47.70 ? 45 TRP A N 1 ATOM 9 C CA . TRP A 1 2 ? 11.532 15.887 24.459 1.00 36.21 ? 45 TRP A CA 1 ATOM 10 C C . TRP A 1 2 ? 12.059 14.872 23.450 1.00 42.02 ? 45 TRP A C 1 ATOM 11 O O . TRP A 1 2 ? 11.484 14.688 22.377 1.00 42.15 ? 45 TRP A O 1 ATOM 12 C CB . TRP A 1 2 ? 11.179 15.176 25.767 1.00 38.80 ? 45 TRP A CB 1 ATOM 13 C CG . TRP A 1 2 ? 10.047 14.202 25.629 1.00 40.49 ? 45 TRP A CG 1 ATOM 14 C CD1 . TRP A 1 2 ? 10.112 12.934 25.125 1.00 43.12 ? 45 TRP A CD1 1 ATOM 15 C CD2 . TRP A 1 2 ? 8.681 14.415 26.002 1.00 44.34 ? 45 TRP A CD2 1 ATOM 16 N NE1 . TRP A 1 2 ? 8.871 12.348 25.158 1.00 43.86 ? 45 TRP A NE1 1 ATOM 17 C CE2 . TRP A 1 2 ? 7.975 13.235 25.692 1.00 44.07 ? 45 TRP A CE2 1 ATOM 18 C CE3 . TRP A 1 2 ? 7.986 15.489 26.565 1.00 52.85 ? 45 TRP A CE3 1 ATOM 19 C CZ2 . TRP A 1 2 ? 6.608 13.100 25.929 1.00 56.48 ? 45 TRP A CZ2 1 ATOM 20 C CZ3 . TRP A 1 2 ? 6.629 15.353 26.798 1.00 62.10 ? 45 TRP A CZ3 1 ATOM 21 C CH2 . TRP A 1 2 ? 5.955 14.167 26.480 1.00 63.63 ? 45 TRP A CH2 1 ATOM 22 N N . LYS A 1 3 ? 13.156 14.214 23.808 1.00 35.73 ? 46 LYS A N 1 ATOM 23 C CA . LYS A 1 3 ? 13.734 13.161 22.982 1.00 38.47 ? 46 LYS A CA 1 ATOM 24 C C . LYS A 1 3 ? 14.499 12.182 23.864 1.00 30.41 ? 46 LYS A C 1 ATOM 25 O O . LYS A 1 3 ? 14.963 12.550 24.942 1.00 30.24 ? 46 LYS A O 1 ATOM 26 C CB . LYS A 1 3 ? 14.669 13.755 21.929 1.00 46.03 ? 46 LYS A CB 1 ATOM 27 C CG . LYS A 1 3 ? 15.902 14.435 22.504 1.00 49.48 ? 46 LYS A CG 1 ATOM 28 C CD . LYS A 1 3 ? 16.802 14.973 21.405 1.00 58.90 ? 46 LYS A CD 1 ATOM 29 C CE . LYS A 1 3 ? 18.063 15.595 21.980 1.00 61.24 ? 46 LYS A CE 1 ATOM 30 N NZ . LYS A 1 3 ? 18.877 14.600 22.730 1.00 66.23 ? 46 LYS A NZ 1 ATOM 31 N N . ASP A 1 4 ? 14.625 10.939 23.407 1.00 32.80 ? 47 ASP A N 1 ATOM 32 C CA . ASP A 1 4 ? 15.378 9.929 24.144 1.00 26.75 ? 47 ASP A CA 1 ATOM 33 C C . ASP A 1 4 ? 16.830 10.360 24.314 1.00 28.39 ? 47 ASP A C 1 ATOM 34 O O . ASP A 1 4 ? 17.450 10.861 23.377 1.00 33.54 ? 47 ASP A O 1 ATOM 35 C CB . ASP A 1 4 ? 15.319 8.574 23.435 1.00 34.79 ? 47 ASP A CB 1 ATOM 36 C CG . ASP A 1 4 ? 13.927 7.969 23.439 1.00 41.87 ? 47 ASP A CG 1 ATOM 37 O OD1 . ASP A 1 4 ? 13.070 8.440 24.215 1.00 37.02 ? 47 ASP A OD1 1 ATOM 38 O OD2 . ASP A 1 4 ? 13.694 7.014 22.669 1.00 57.40 ? 47 ASP A OD2 1 ATOM 39 N N . ALA A 1 5 ? 17.364 10.165 25.514 1.00 30.01 ? 48 ALA A N 1 ATOM 40 C CA . ALA A 1 5 ? 18.738 10.550 25.806 1.00 26.68 ? 48 ALA A CA 1 ATOM 41 C C . ALA A 1 5 ? 19.269 9.816 27.028 1.00 30.12 ? 48 ALA A C 1 ATOM 42 O O . ALA A 1 5 ? 18.501 9.284 27.830 1.00 28.80 ? 48 ALA A O 1 ATOM 43 C CB . ALA A 1 5 ? 18.836 12.056 26.013 1.00 29.45 ? 48 ALA A CB 1 ATOM 44 N N . ASP A 1 6 ? 20.590 9.786 27.157 1.00 25.66 ? 49 ASP A N 1 ATOM 45 C CA . ASP A 1 6 ? 21.233 9.239 28.343 1.00 27.09 ? 49 ASP A CA 1 ATOM 46 C C . ASP A 1 6 ? 21.910 10.372 29.098 1.00 23.90 ? 49 ASP A C 1 ATOM 47 O O . ASP A 1 6 ? 22.405 11.321 28.492 1.00 26.67 ? 49 ASP A O 1 ATOM 48 C CB . ASP A 1 6 ? 22.268 8.180 27.962 1.00 32.00 ? 49 ASP A CB 1 ATOM 49 C CG . ASP A 1 6 ? 21.653 6.983 27.264 1.00 36.97 ? 49 ASP A CG 1 ATOM 50 O OD1 . ASP A 1 6 ? 20.447 6.727 27.465 1.00 40.81 ? 49 ASP A OD1 1 ATOM 51 O OD2 . ASP A 1 6 ? 22.379 6.293 26.518 1.00 46.09 ? 49 ASP A OD2 1 ATOM 52 N N . THR A 1 7 ? 21.924 10.275 30.422 1.00 28.67 ? 50 THR A N 1 ATOM 53 C CA . THR A 1 7 ? 22.603 11.271 31.238 1.00 30.25 ? 50 THR A CA 1 ATOM 54 C C . THR A 1 7 ? 23.039 10.677 32.569 1.00 23.69 ? 50 THR A C 1 ATOM 55 O O . THR A 1 7 ? 22.643 9.569 32.928 1.00 26.34 ? 50 THR A O 1 ATOM 56 C CB . THR A 1 7 ? 21.710 12.501 31.501 1.00 36.39 ? 50 THR A CB 1 ATOM 57 O OG1 . THR A 1 7 ? 22.507 13.569 32.027 1.00 38.82 ? 50 THR A OG1 1 ATOM 58 C CG2 . THR A 1 7 ? 20.604 12.160 32.490 1.00 28.48 ? 50 THR A CG2 1 ATOM 59 N N . THR A 1 8 ? 23.861 11.424 33.295 1.00 28.30 ? 51 THR A N 1 ATOM 60 C CA . THR A 1 8 ? 24.325 10.999 34.607 1.00 27.63 ? 51 THR A CA 1 ATOM 61 C C . THR A 1 8 ? 23.200 11.088 35.632 1.00 24.25 ? 51 THR A C 1 ATOM 62 O O . THR A 1 8 ? 22.754 12.179 35.984 1.00 31.13 ? 51 THR A O 1 ATOM 63 C CB . THR A 1 8 ? 25.502 11.865 35.079 1.00 26.38 ? 51 THR A CB 1 ATOM 64 O OG1 . THR A 1 8 ? 25.150 13.250 34.959 1.00 32.52 ? 51 THR A OG1 1 ATOM 65 C CG2 . THR A 1 8 ? 26.733 11.588 34.232 1.00 36.30 ? 51 THR A CG2 1 ATOM 66 N N . LEU A 1 9 ? 22.741 9.934 36.104 1.00 20.22 ? 52 LEU A N 1 ATOM 67 C CA . LEU A 1 9 ? 21.690 9.886 37.113 1.00 20.22 ? 52 LEU A CA 1 ATOM 68 C C . LEU A 1 9 ? 22.280 10.012 38.513 1.00 21.99 ? 52 LEU A C 1 ATOM 69 O O . LEU A 1 9 ? 23.460 9.731 38.726 1.00 24.40 ? 52 LEU A O 1 ATOM 70 C CB . LEU A 1 9 ? 20.913 8.572 37.012 1.00 23.16 ? 52 LEU A CB 1 ATOM 71 C CG . LEU A 1 9 ? 20.208 8.267 35.688 1.00 25.83 ? 52 LEU A CG 1 ATOM 72 C CD1 . LEU A 1 9 ? 19.592 6.877 35.724 1.00 29.58 ? 52 LEU A CD1 1 ATOM 73 C CD2 . LEU A 1 9 ? 19.152 9.318 35.392 1.00 28.20 ? 52 LEU A CD2 1 ATOM 74 N N . PHE A 1 10 ? 21.458 10.441 39.464 1.00 21.52 ? 53 PHE A N 1 ATOM 75 C CA . PHE A 1 10 ? 21.840 10.374 40.871 1.00 20.14 ? 53 PHE A CA 1 ATOM 76 C C . PHE A 1 10 ? 20.843 9.513 41.636 1.00 20.75 ? 53 PHE A C 1 ATOM 77 O O . PHE A 1 10 ? 19.780 9.176 41.117 1.00 23.26 ? 53 PHE A O 1 ATOM 78 C CB . PHE A 1 10 ? 21.983 11.769 41.496 1.00 19.81 ? 53 PHE A CB 1 ATOM 79 C CG . PHE A 1 10 ? 20.695 12.545 41.590 1.00 21.78 ? 53 PHE A CG 1 ATOM 80 C CD1 . PHE A 1 10 ? 20.263 13.329 40.533 1.00 20.84 ? 53 PHE A CD1 1 ATOM 81 C CD2 . PHE A 1 10 ? 19.937 12.520 42.752 1.00 21.29 ? 53 PHE A CD2 1 ATOM 82 C CE1 . PHE A 1 10 ? 19.087 14.057 40.624 1.00 29.14 ? 53 PHE A CE1 1 ATOM 83 C CE2 . PHE A 1 10 ? 18.762 13.243 42.850 1.00 29.80 ? 53 PHE A CE2 1 ATOM 84 C CZ . PHE A 1 10 ? 18.337 14.016 41.784 1.00 27.40 ? 53 PHE A CZ 1 ATOM 85 N N . CYS A 1 11 ? 21.190 9.140 42.862 1.00 20.17 ? 54 CYS A N 1 ATOM 86 C CA . CYS A 1 11 ? 20.312 8.271 43.634 1.00 21.95 ? 54 CYS A CA 1 ATOM 87 C C . CYS A 1 11 ? 19.769 8.932 44.895 1.00 24.16 ? 54 CYS A C 1 ATOM 88 O O . CYS A 1 11 ? 20.362 9.870 45.432 1.00 22.61 ? 54 CYS A O 1 ATOM 89 C CB . CYS A 1 11 ? 21.004 6.946 43.971 1.00 24.38 ? 54 CYS A CB 1 ATOM 90 S SG . CYS A 1 11 ? 22.458 7.092 45.025 1.00 27.94 ? 54 CYS A SG 1 ATOM 91 N N . ALA A 1 12 ? 18.622 8.437 45.349 1.00 21.31 ? 55 ALA A N 1 ATOM 92 C CA . ALA A 1 12 ? 18.012 8.894 46.589 1.00 21.66 ? 55 ALA A CA 1 ATOM 93 C C . ALA A 1 12 ? 17.591 7.689 47.424 1.00 17.15 ? 55 ALA A C 1 ATOM 94 O O . ALA A 1 12 ? 17.252 6.640 46.878 1.00 22.32 ? 55 ALA A O 1 ATOM 95 C CB . ALA A 1 12 ? 16.817 9.786 46.298 1.00 26.15 ? 55 ALA A CB 1 ATOM 96 N N . SER A 1 13 ? 17.616 7.840 48.745 1.00 21.03 ? 56 SER A N 1 ATOM 97 C CA . SER A 1 13 ? 17.231 6.754 49.642 1.00 18.80 ? 56 SER A CA 1 ATOM 98 C C . SER A 1 13 ? 16.829 7.280 51.016 1.00 22.07 ? 56 SER A C 1 ATOM 99 O O . SER A 1 13 ? 16.998 8.463 51.316 1.00 25.66 ? 56 SER A O 1 ATOM 100 C CB . SER A 1 13 ? 18.374 5.749 49.794 1.00 28.09 ? 56 SER A CB 1 ATOM 101 O OG . SER A 1 13 ? 19.351 6.229 50.704 1.00 36.19 ? 56 SER A OG 1 ATOM 102 N N . ASP A 1 14 ? 16.297 6.390 51.849 1.00 19.47 ? 57 ASP A N 1 ATOM 103 C CA . ASP A 1 14 ? 15.932 6.738 53.216 1.00 25.19 ? 57 ASP A CA 1 ATOM 104 C C . ASP A 1 14 ? 16.913 6.122 54.209 1.00 29.85 ? 57 ASP A C 1 ATOM 105 O O . ASP A 1 14 ? 16.543 5.778 55.331 1.00 28.87 ? 57 ASP A O 1 ATOM 106 C CB . ASP A 1 14 ? 14.508 6.275 53.526 1.00 32.29 ? 57 ASP A CB 1 ATOM 107 C CG . ASP A 1 14 ? 13.469 6.988 52.684 1.00 43.84 ? 57 ASP A CG 1 ATOM 108 O OD1 . ASP A 1 14 ? 13.632 8.203 52.440 1.00 35.23 ? 57 ASP A OD1 1 ATOM 109 O OD2 . ASP A 1 14 ? 12.492 6.334 52.263 1.00 48.01 ? 57 ASP A OD2 1 ATOM 110 N N . ALA A 1 15 ? 18.167 5.991 53.784 1.00 22.69 ? 58 ALA A N 1 ATOM 111 C CA . ALA A 1 15 ? 19.212 5.389 54.607 1.00 26.74 ? 58 ALA A CA 1 ATOM 112 C C . ALA A 1 15 ? 19.464 6.165 55.898 1.00 28.59 ? 58 ALA A C 1 ATOM 113 O O . ALA A 1 15 ? 19.336 7.389 55.933 1.00 28.55 ? 58 ALA A O 1 ATOM 114 C CB . ALA A 1 15 ? 20.502 5.266 53.810 1.00 28.20 ? 58 ALA A CB 1 ATOM 115 N N . LYS A 1 16 ? 19.825 5.440 56.954 1.00 24.46 ? 59 LYS A N 1 ATOM 116 C CA . LYS A 1 16 ? 20.143 6.050 58.241 1.00 25.08 ? 59 LYS A CA 1 ATOM 117 C C . LYS A 1 16 ? 21.650 6.218 58.390 1.00 25.46 ? 59 LYS A C 1 ATOM 118 O O . LYS A 1 16 ? 22.413 5.281 58.159 1.00 27.60 ? 59 LYS A O 1 ATOM 119 C CB . LYS A 1 16 ? 19.618 5.185 59.387 1.00 33.76 ? 59 LYS A CB 1 ATOM 120 C CG . LYS A 1 16 ? 18.185 4.711 59.224 1.00 44.82 ? 59 LYS A CG 1 ATOM 121 C CD . LYS A 1 16 ? 17.818 3.733 60.330 1.00 55.41 ? 59 LYS A CD 1 ATOM 122 C CE . LYS A 1 16 ? 16.472 3.078 60.076 1.00 68.18 ? 59 LYS A CE 1 ATOM 123 N NZ . LYS A 1 16 ? 16.167 2.041 61.101 1.00 70.59 ? 59 LYS A NZ 1 ATOM 124 N N . ALA A 1 17 ? 22.075 7.411 58.792 1.00 29.15 ? 60 ALA A N 1 ATOM 125 C CA . ALA A 1 17 ? 23.496 7.704 58.945 1.00 32.46 ? 60 ALA A CA 1 ATOM 126 C C . ALA A 1 17 ? 24.118 6.970 60.131 1.00 32.87 ? 60 ALA A C 1 ATOM 127 O O . ALA A 1 17 ? 25.337 6.808 60.198 1.00 39.35 ? 60 ALA A O 1 ATOM 128 C CB . ALA A 1 17 ? 23.717 9.204 59.073 1.00 41.19 ? 60 ALA A CB 1 ATOM 129 N N . HIS A 1 18 ? 23.280 6.524 61.062 1.00 29.52 ? 61 HIS A N 1 ATOM 130 C CA . HIS A 1 18 ? 23.763 5.856 62.267 1.00 37.95 ? 61 HIS A CA 1 ATOM 131 C C . HIS A 1 18 ? 23.728 4.332 62.160 1.00 39.35 ? 61 HIS A C 1 ATOM 132 O O . HIS A 1 18 ? 24.011 3.630 63.130 1.00 43.55 ? 61 HIS A O 1 ATOM 133 C CB . HIS A 1 18 ? 22.970 6.315 63.493 1.00 35.31 ? 61 HIS A CB 1 ATOM 134 C CG . HIS A 1 18 ? 21.494 6.091 63.378 1.00 39.66 ? 61 HIS A CG 1 ATOM 135 N ND1 . HIS A 1 18 ? 20.666 6.937 62.672 1.00 39.84 ? 61 HIS A ND1 1 ATOM 136 C CD2 . HIS A 1 18 ? 20.697 5.120 63.883 1.00 40.81 ? 61 HIS A CD2 1 ATOM 137 C CE1 . HIS A 1 18 ? 19.423 6.496 62.745 1.00 47.55 ? 61 HIS A CE1 1 ATOM 138 N NE2 . HIS A 1 18 ? 19.414 5.395 63.475 1.00 47.21 ? 61 HIS A NE2 1 ATOM 139 N N . GLU A 1 19 ? 23.380 3.823 60.983 1.00 30.08 ? 62 GLU A N 1 ATOM 140 C CA . GLU A 1 19 ? 23.363 2.381 60.756 1.00 31.13 ? 62 GLU A CA 1 ATOM 141 C C . GLU A 1 19 ? 24.731 1.863 60.325 1.00 33.53 ? 62 GLU A C 1 ATOM 142 O O . GLU A 1 19 ? 25.463 2.542 59.606 1.00 32.69 ? 62 GLU A O 1 ATOM 143 C CB . GLU A 1 19 ? 22.315 2.009 59.704 1.00 34.39 ? 62 GLU A CB 1 ATOM 144 C CG . GLU A 1 19 ? 21.013 1.464 60.274 1.00 40.82 ? 62 GLU A CG 1 ATOM 145 C CD . GLU A 1 19 ? 21.135 0.030 60.764 1.00 49.49 ? 62 GLU A CD 1 ATOM 146 O OE1 . GLU A 1 19 ? 20.135 -0.505 61.288 1.00 57.94 ? 62 GLU A OE1 1 ATOM 147 O OE2 . GLU A 1 19 ? 22.224 -0.566 60.624 1.00 39.10 ? 62 GLU A OE2 1 ATOM 148 N N . THR A 1 20 ? 25.069 0.657 60.770 1.00 28.32 ? 63 THR A N 1 ATOM 149 C CA . THR A 1 20 ? 26.307 0.006 60.355 1.00 24.34 ? 63 THR A CA 1 ATOM 150 C C . THR A 1 20 ? 26.054 -0.920 59.170 1.00 25.38 ? 63 THR A C 1 ATOM 151 O O . THR A 1 20 ? 26.993 -1.425 58.554 1.00 28.93 ? 63 THR A O 1 ATOM 152 C CB . THR A 1 20 ? 26.941 -0.803 61.502 1.00 31.14 ? 63 THR A CB 1 ATOM 153 O OG1 . THR A 1 20 ? 26.017 -1.801 61.955 1.00 31.75 ? 63 THR A OG1 1 ATOM 154 C CG2 . THR A 1 20 ? 27.302 0.112 62.663 1.00 37.48 ? 63 THR A CG2 1 ATOM 155 N N . GLU A 1 21 ? 24.779 -1.142 58.862 1.00 22.73 ? 64 GLU A N 1 ATOM 156 C CA . GLU A 1 21 ? 24.399 -1.957 57.712 1.00 24.89 ? 64 GLU A CA 1 ATOM 157 C C . GLU A 1 21 ? 24.978 -1.338 56.440 1.00 19.80 ? 64 GLU A C 1 ATOM 158 O O . GLU A 1 21 ? 24.908 -0.125 56.244 1.00 22.56 ? 64 GLU A O 1 ATOM 159 C CB . GLU A 1 21 ? 22.876 -2.092 57.629 1.00 23.29 ? 64 GLU A CB 1 ATOM 160 C CG . GLU A 1 21 ? 22.387 -3.196 56.695 1.00 18.84 ? 64 GLU A CG 1 ATOM 161 C CD . GLU A 1 21 ? 22.467 -2.798 55.237 1.00 24.51 ? 64 GLU A CD 1 ATOM 162 O OE1 . GLU A 1 21 ? 22.186 -1.620 54.932 1.00 27.25 ? 64 GLU A OE1 1 ATOM 163 O OE2 . GLU A 1 21 ? 22.825 -3.654 54.402 1.00 26.19 ? 64 GLU A OE2 1 ATOM 164 N N . VAL A 1 22 ? 25.548 -2.182 55.583 1.00 20.82 ? 65 VAL A N 1 ATOM 165 C CA . VAL A 1 22 ? 26.384 -1.720 54.475 1.00 23.22 ? 65 VAL A CA 1 ATOM 166 C C . VAL A 1 22 ? 25.660 -0.931 53.381 1.00 19.25 ? 65 VAL A C 1 ATOM 167 O O . VAL A 1 22 ? 26.231 0.001 52.815 1.00 19.80 ? 65 VAL A O 1 ATOM 168 C CB . VAL A 1 22 ? 27.176 -2.884 53.839 1.00 19.39 ? 65 VAL A CB 1 ATOM 169 C CG1 . VAL A 1 22 ? 28.208 -3.423 54.824 1.00 25.60 ? 65 VAL A CG1 1 ATOM 170 C CG2 . VAL A 1 22 ? 26.236 -3.989 53.374 1.00 17.60 ? 65 VAL A CG2 1 ATOM 171 N N . HIS A 1 23 ? 24.420 -1.303 53.074 1.00 18.47 ? 66 HIS A N 1 ATOM 172 C CA . HIS A 1 23 ? 23.641 -0.556 52.091 1.00 22.34 ? 66 HIS A CA 1 ATOM 173 C C . HIS A 1 23 ? 23.342 0.843 52.619 1.00 18.17 ? 66 HIS A C 1 ATOM 174 O O . HIS A 1 23 ? 23.390 1.821 51.872 1.00 19.18 ? 66 HIS A O 1 ATOM 175 C CB . HIS A 1 23 ? 22.338 -1.278 51.741 1.00 20.54 ? 66 HIS A CB 1 ATOM 176 C CG . HIS A 1 23 ? 22.538 -2.596 51.061 1.00 20.21 ? 66 HIS A CG 1 ATOM 177 N ND1 . HIS A 1 23 ? 22.822 -3.754 51.752 1.00 17.77 ? 66 HIS A ND1 1 ATOM 178 C CD2 . HIS A 1 23 ? 22.489 -2.941 49.752 1.00 26.20 ? 66 HIS A CD2 1 ATOM 179 C CE1 . HIS A 1 23 ? 22.939 -4.756 50.898 1.00 26.85 ? 66 HIS A CE1 1 ATOM 180 N NE2 . HIS A 1 23 ? 22.743 -4.290 49.678 1.00 19.34 ? 66 HIS A NE2 1 ATOM 181 N N . ASN A 1 24 ? 23.031 0.926 53.911 1.00 18.76 ? 67 ASN A N 1 ATOM 182 C CA . ASN A 1 24 ? 22.815 2.208 54.574 1.00 19.78 ? 67 ASN A CA 1 ATOM 183 C C . ASN A 1 24 ? 24.064 3.080 54.527 1.00 23.76 ? 67 ASN A C 1 ATOM 184 O O . ASN A 1 24 ? 23.987 4.272 54.231 1.00 23.94 ? 67 ASN A O 1 ATOM 185 C CB . ASN A 1 24 ? 22.382 2.004 56.029 1.00 22.63 ? 67 ASN A CB 1 ATOM 186 C CG . ASN A 1 24 ? 20.899 1.711 56.165 1.00 26.20 ? 67 ASN A CG 1 ATOM 187 O OD1 . ASN A 1 24 ? 20.097 2.615 56.402 1.00 29.22 ? 67 ASN A OD1 1 ATOM 188 N ND2 . ASN A 1 24 ? 20.527 0.444 56.020 1.00 24.27 ? 67 ASN A ND2 1 ATOM 189 N N . VAL A 1 25 ? 25.212 2.475 54.821 1.00 19.90 ? 68 VAL A N 1 ATOM 190 C CA . VAL A 1 25 ? 26.483 3.191 54.799 1.00 20.98 ? 68 VAL A CA 1 ATOM 191 C C . VAL A 1 25 ? 26.791 3.729 53.404 1.00 20.02 ? 68 VAL A C 1 ATOM 192 O O . VAL A 1 25 ? 27.185 4.888 53.250 1.00 24.48 ? 68 VAL A O 1 ATOM 193 C CB . VAL A 1 25 ? 27.646 2.298 55.287 1.00 28.67 ? 68 VAL A CB 1 ATOM 194 C CG1 . VAL A 1 25 ? 28.982 2.998 55.087 1.00 27.86 ? 68 VAL A CG1 1 ATOM 195 C CG2 . VAL A 1 25 ? 27.449 1.927 56.749 1.00 31.90 ? 68 VAL A CG2 1 ATOM 196 N N . TRP A 1 26 ? 26.597 2.890 52.390 1.00 22.25 ? 69 TRP A N 1 ATOM 197 C CA . TRP A 1 26 ? 26.851 3.295 51.012 1.00 22.42 ? 69 TRP A CA 1 ATOM 198 C C . TRP A 1 26 ? 25.927 4.431 50.582 1.00 19.56 ? 69 TRP A C 1 ATOM 199 O O . TRP A 1 26 ? 26.381 5.441 50.046 1.00 22.99 ? 69 TRP A O 1 ATOM 200 C CB . TRP A 1 26 ? 26.702 2.112 50.048 1.00 21.91 ? 69 TRP A CB 1 ATOM 201 C CG . TRP A 1 26 ? 26.931 2.505 48.616 1.00 21.52 ? 69 TRP A CG 1 ATOM 202 C CD1 . TRP A 1 26 ? 28.130 2.579 47.969 1.00 26.49 ? 69 TRP A CD1 1 ATOM 203 C CD2 . TRP A 1 26 ? 25.936 2.896 47.660 1.00 19.01 ? 69 TRP A CD2 1 ATOM 204 N NE1 . TRP A 1 26 ? 27.944 2.986 46.670 1.00 25.40 ? 69 TRP A NE1 1 ATOM 205 C CE2 . TRP A 1 26 ? 26.606 3.187 46.455 1.00 23.87 ? 69 TRP A CE2 1 ATOM 206 C CE3 . TRP A 1 26 ? 24.544 3.026 47.705 1.00 20.14 ? 69 TRP A CE3 1 ATOM 207 C CZ2 . TRP A 1 26 ? 25.933 3.600 45.306 1.00 23.66 ? 69 TRP A CZ2 1 ATOM 208 C CZ3 . TRP A 1 26 ? 23.877 3.435 46.562 1.00 24.66 ? 69 TRP A CZ3 1 ATOM 209 C CH2 . TRP A 1 26 ? 24.572 3.716 45.380 1.00 20.71 ? 69 TRP A CH2 1 ATOM 210 N N . ALA A 1 27 ? 24.631 4.262 50.826 1.00 20.89 ? 70 ALA A N 1 ATOM 211 C CA . ALA A 1 27 ? 23.636 5.242 50.407 1.00 21.75 ? 70 ALA A CA 1 ATOM 212 C C . ALA A 1 27 ? 23.771 6.569 51.152 1.00 24.13 ? 70 ALA A C 1 ATOM 213 O O . ALA A 1 27 ? 23.445 7.625 50.610 1.00 23.39 ? 70 ALA A O 1 ATOM 214 C CB . ALA A 1 27 ? 22.234 4.678 50.573 1.00 21.10 ? 70 ALA A CB 1 ATOM 215 N N . THR A 1 28 ? 24.249 6.512 52.393 1.00 22.12 ? 71 THR A N 1 ATOM 216 C CA . THR A 1 28 ? 24.458 7.718 53.191 1.00 19.63 ? 71 THR A CA 1 ATOM 217 C C . THR A 1 28 ? 25.471 8.644 52.523 1.00 26.21 ? 71 THR A C 1 ATOM 218 O O . THR A 1 28 ? 25.353 9.869 52.582 1.00 27.23 ? 71 THR A O 1 ATOM 219 C CB . THR A 1 28 ? 24.930 7.376 54.621 1.00 26.40 ? 71 THR A CB 1 ATOM 220 O OG1 . THR A 1 28 ? 23.928 6.596 55.284 1.00 24.61 ? 71 THR A OG1 1 ATOM 221 C CG2 . THR A 1 28 ? 25.184 8.645 55.429 1.00 32.66 ? 71 THR A CG2 1 ATOM 222 N N . HIS A 1 29 ? 26.457 8.053 51.861 1.00 23.59 ? 72 HIS A N 1 ATOM 223 C CA . HIS A 1 29 ? 27.527 8.834 51.260 1.00 25.48 ? 72 HIS A CA 1 ATOM 224 C C . HIS A 1 29 ? 27.411 8.942 49.733 1.00 26.12 ? 72 HIS A C 1 ATOM 225 O O . HIS A 1 29 ? 28.130 9.723 49.105 1.00 29.88 ? 72 HIS A O 1 ATOM 226 C CB . HIS A 1 29 ? 28.882 8.248 51.662 1.00 34.23 ? 72 HIS A CB 1 ATOM 227 C CG . HIS A 1 29 ? 29.067 8.120 53.141 1.00 54.84 ? 72 HIS A CG 1 ATOM 228 N ND1 . HIS A 1 29 ? 28.611 7.034 53.864 1.00 48.68 ? 72 HIS A ND1 1 ATOM 229 C CD2 . HIS A 1 29 ? 29.654 8.942 54.044 1.00 60.41 ? 72 HIS A CD2 1 ATOM 230 C CE1 . HIS A 1 29 ? 28.915 7.191 55.136 1.00 53.48 ? 72 HIS A CE1 1 ATOM 231 N NE2 . HIS A 1 29 ? 29.543 8.347 55.277 1.00 60.16 ? 72 HIS A NE2 1 ATOM 232 N N . ALA A 1 30 ? 26.513 8.159 49.141 1.00 21.55 ? 73 ALA A N 1 ATOM 233 C CA . ALA A 1 30 ? 26.362 8.139 47.687 1.00 22.80 ? 73 ALA A CA 1 ATOM 234 C C . ALA A 1 30 ? 25.000 8.637 47.202 1.00 26.07 ? 73 ALA A C 1 ATOM 235 O O . ALA A 1 30 ? 24.815 8.862 46.007 1.00 23.10 ? 73 ALA A O 1 ATOM 236 C CB . ALA A 1 30 ? 26.641 6.744 47.143 1.00 21.42 ? 73 ALA A CB 1 ATOM 237 N N . CYS A 1 31 ? 24.054 8.813 48.121 1.00 18.76 ? 74 CYS A N 1 ATOM 238 C CA . CYS A 1 31 ? 22.705 9.243 47.749 1.00 24.37 ? 74 CYS A CA 1 ATOM 239 C C . CYS A 1 31 ? 22.217 10.432 48.578 1.00 24.47 ? 74 CYS A C 1 ATOM 240 O O . CYS A 1 31 ? 22.778 10.744 49.628 1.00 24.11 ? 74 CYS A O 1 ATOM 241 C CB . CYS A 1 31 ? 21.715 8.081 47.879 1.00 24.15 ? 74 CYS A CB 1 ATOM 242 S SG . CYS A 1 31 ? 22.182 6.586 46.976 1.00 23.57 ? 74 CYS A SG 1 ATOM 243 N N . VAL A 1 32 ? 21.176 11.098 48.084 1.00 25.16 ? 75 VAL A N 1 ATOM 244 C CA . VAL A 1 32 ? 20.520 12.176 48.817 1.00 23.32 ? 75 VAL A CA 1 ATOM 245 C C . VAL A 1 32 ? 19.234 11.637 49.442 1.00 27.07 ? 75 VAL A C 1 ATOM 246 O O . VAL A 1 32 ? 18.773 10.562 49.067 1.00 23.20 ? 75 VAL A O 1 ATOM 247 C CB . VAL A 1 32 ? 20.190 13.372 47.891 1.00 26.76 ? 75 VAL A CB 1 ATOM 248 C CG1 . VAL A 1 32 ? 21.468 14.030 47.391 1.00 32.96 ? 75 VAL A CG1 1 ATOM 249 C CG2 . VAL A 1 32 ? 19.312 12.929 46.728 1.00 21.50 ? 75 VAL A CG2 1 ATOM 250 N N . PRO A 1 33 ? 18.661 12.363 50.416 1.00 29.04 ? 76 PRO A N 1 ATOM 251 C CA . PRO A 1 33 ? 17.360 11.947 50.953 1.00 29.72 ? 76 PRO A CA 1 ATOM 252 C C . PRO A 1 33 ? 16.268 11.964 49.886 1.00 34.20 ? 76 PRO A C 1 ATOM 253 O O . PRO A 1 33 ? 16.357 12.724 48.922 1.00 27.95 ? 76 PRO A O 1 ATOM 254 C CB . PRO A 1 33 ? 17.068 13.010 52.014 1.00 31.69 ? 76 PRO A CB 1 ATOM 255 C CG . PRO A 1 33 ? 18.408 13.476 52.450 1.00 34.30 ? 76 PRO A CG 1 ATOM 256 C CD . PRO A 1 33 ? 19.263 13.445 51.217 1.00 29.65 ? 76 PRO A CD 1 ATOM 257 N N . THR A 1 34 ? 15.248 11.129 50.062 1.00 31.05 ? 77 THR A N 1 ATOM 258 C CA . THR A 1 34 ? 14.143 11.068 49.112 1.00 28.56 ? 77 THR A CA 1 ATOM 259 C C . THR A 1 34 ? 13.254 12.301 49.212 1.00 33.29 ? 77 THR A C 1 ATOM 260 O O . THR A 1 34 ? 13.251 12.997 50.227 1.00 35.79 ? 77 THR A O 1 ATOM 261 C CB . THR A 1 34 ? 13.269 9.819 49.335 1.00 35.83 ? 77 THR A CB 1 ATOM 262 O OG1 . THR A 1 34 ? 12.743 9.832 50.668 1.00 36.84 ? 77 THR A OG1 1 ATOM 263 C CG2 . THR A 1 34 ? 14.079 8.551 49.123 1.00 31.23 ? 77 THR A CG2 1 ATOM 264 N N . ASP A 1 35 ? 12.502 12.563 48.149 1.00 36.03 ? 78 ASP A N 1 ATOM 265 C CA . ASP A 1 35 ? 11.537 13.653 48.138 1.00 38.45 ? 78 ASP A CA 1 ATOM 266 C C . ASP A 1 35 ? 10.291 13.212 48.896 1.00 38.93 ? 78 ASP A C 1 ATOM 267 O O . ASP A 1 35 ? 9.656 12.224 48.525 1.00 36.80 ? 78 ASP A O 1 ATOM 268 C CB . ASP A 1 35 ? 11.181 14.025 46.696 1.00 41.94 ? 78 ASP A CB 1 ATOM 269 C CG . ASP A 1 35 ? 10.517 15.387 46.584 1.00 46.41 ? 78 ASP A CG 1 ATOM 270 O OD1 . ASP A 1 35 ? 9.748 15.766 47.493 1.00 44.24 ? 78 ASP A OD1 1 ATOM 271 O OD2 . ASP A 1 35 ? 10.765 16.082 45.576 1.00 48.97 ? 78 ASP A OD2 1 ATOM 272 N N . PRO A 1 36 ? 9.942 13.938 49.969 1.00 41.48 ? 79 PRO A N 1 ATOM 273 C CA . PRO A 1 36 ? 8.770 13.611 50.788 1.00 49.63 ? 79 PRO A CA 1 ATOM 274 C C . PRO A 1 36 ? 7.460 13.768 50.020 1.00 53.32 ? 79 PRO A C 1 ATOM 275 O O . PRO A 1 36 ? 6.500 13.044 50.291 1.00 51.74 ? 79 PRO A O 1 ATOM 276 C CB . PRO A 1 36 ? 8.842 14.633 51.928 1.00 47.95 ? 79 PRO A CB 1 ATOM 277 C CG . PRO A 1 36 ? 9.654 15.758 51.382 1.00 44.98 ? 79 PRO A CG 1 ATOM 278 C CD . PRO A 1 36 ? 10.664 15.114 50.484 1.00 44.45 ? 79 PRO A CD 1 ATOM 279 N N . ASN A 1 37 ? 7.423 14.700 49.074 1.00 41.00 ? 80 ASN A N 1 ATOM 280 C CA . ASN A 1 37 ? 6.225 14.920 48.274 1.00 45.62 ? 80 ASN A CA 1 ATOM 281 C C . ASN A 1 37 ? 6.530 14.910 46.778 1.00 48.34 ? 80 ASN A C 1 ATOM 282 O O . ASN A 1 37 ? 6.554 15.962 46.138 1.00 46.80 ? 80 ASN A O 1 ATOM 283 C CB . ASN A 1 37 ? 5.551 16.235 48.672 1.00 56.94 ? 80 ASN A CB 1 ATOM 284 C CG . ASN A 1 37 ? 4.048 16.201 48.479 1.00 73.12 ? 80 ASN A CG 1 ATOM 285 O OD1 . ASN A 1 37 ? 3.308 15.765 49.361 1.00 77.21 ? 80 ASN A OD1 1 ATOM 286 N ND2 . ASN A 1 37 ? 3.587 16.664 47.322 1.00 78.40 ? 80 ASN A ND2 1 ATOM 287 N N . PRO A 1 38 ? 6.763 13.713 46.217 1.00 41.23 ? 81 PRO A N 1 ATOM 288 C CA . PRO A 1 38 ? 7.114 13.574 44.800 1.00 43.37 ? 81 PRO A CA 1 ATOM 289 C C . PRO A 1 38 ? 5.944 13.910 43.884 1.00 49.08 ? 81 PRO A C 1 ATOM 290 O O . PRO A 1 38 ? 4.790 13.648 44.225 1.00 49.47 ? 81 PRO A O 1 ATOM 291 C CB . PRO A 1 38 ? 7.472 12.091 44.676 1.00 41.64 ? 81 PRO A CB 1 ATOM 292 C CG . PRO A 1 38 ? 6.692 11.429 45.754 1.00 45.11 ? 81 PRO A CG 1 ATOM 293 C CD . PRO A 1 38 ? 6.669 12.407 46.893 1.00 39.50 ? 81 PRO A CD 1 ATOM 294 N N . GLN A 1 39 ? 6.249 14.487 42.729 1.00 44.06 ? 82 GLN A N 1 ATOM 295 C CA . GLN A 1 39 ? 5.224 14.871 41.768 1.00 56.58 ? 82 GLN A CA 1 ATOM 296 C C . GLN A 1 39 ? 5.229 13.961 40.544 1.00 49.49 ? 82 GLN A C 1 ATOM 297 O O . GLN A 1 39 ? 6.285 13.555 40.057 1.00 37.04 ? 82 GLN A O 1 ATOM 298 C CB . GLN A 1 39 ? 5.392 16.335 41.349 1.00 70.08 ? 82 GLN A CB 1 ATOM 299 C CG . GLN A 1 39 ? 6.724 16.957 41.744 1.00 82.14 ? 82 GLN A CG 1 ATOM 300 C CD . GLN A 1 39 ? 7.903 16.315 41.042 1.00 90.74 ? 82 GLN A CD 1 ATOM 301 O OE1 . GLN A 1 39 ? 8.958 16.109 41.642 1.00 85.03 ? 82 GLN A OE1 1 ATOM 302 N NE2 . GLN A 1 39 ? 7.729 15.993 39.765 1.00 99.33 ? 82 GLN A NE2 1 ATOM 303 N N . GLU A 1 40 ? 4.037 13.637 40.058 1.00 46.34 ? 83 GLU A N 1 ATOM 304 C CA . GLU A 1 40 ? 3.891 12.803 38.875 1.00 32.60 ? 83 GLU A CA 1 ATOM 305 C C . GLU A 1 40 ? 2.876 13.426 37.928 1.00 33.61 ? 83 GLU A C 1 ATOM 306 O O . GLU A 1 40 ? 1.748 13.720 38.320 1.00 37.85 ? 83 GLU A O 1 ATOM 307 C CB . GLU A 1 40 ? 3.453 11.391 39.266 1.00 33.41 ? 83 GLU A CB 1 ATOM 308 C CG . GLU A 1 40 ? 3.288 10.444 38.088 1.00 34.32 ? 83 GLU A CG 1 ATOM 309 C CD . GLU A 1 40 ? 2.945 9.032 38.522 1.00 49.57 ? 83 GLU A CD 1 ATOM 310 O OE1 . GLU A 1 40 ? 2.608 8.840 39.709 1.00 52.41 ? 83 GLU A OE1 1 ATOM 311 O OE2 . GLU A 1 40 ? 3.017 8.115 37.677 1.00 42.83 ? 83 GLU A OE2 1 ATOM 312 N N . ILE A 1 41 ? 3.286 13.633 36.682 1.00 32.69 ? 84 ILE A N 1 ATOM 313 C CA . ILE A 1 41 ? 2.417 14.247 35.687 1.00 36.31 ? 84 ILE A CA 1 ATOM 314 C C . ILE A 1 41 ? 1.976 13.225 34.648 1.00 34.28 ? 84 ILE A C 1 ATOM 315 O O . ILE A 1 41 ? 2.786 12.740 33.858 1.00 33.20 ? 84 ILE A O 1 ATOM 316 C CB . ILE A 1 41 ? 3.117 15.419 34.977 1.00 37.63 ? 84 ILE A CB 1 ATOM 317 C CG1 . ILE A 1 41 ? 3.582 16.458 35.999 1.00 47.17 ? 84 ILE A CG1 1 ATOM 318 C CG2 . ILE A 1 41 ? 2.189 16.052 33.949 1.00 43.25 ? 84 ILE A CG2 1 ATOM 319 C CD1 . ILE A 1 41 ? 4.320 17.628 35.387 1.00 53.99 ? 84 ILE A CD1 1 ATOM 320 N N . HIS A 1 42 ? 0.689 12.897 34.655 1.00 34.87 ? 85 HIS A N 1 ATOM 321 C CA . HIS A 1 42 ? 0.141 11.955 33.688 1.00 32.88 ? 85 HIS A CA 1 ATOM 322 C C . HIS A 1 42 ? -0.091 12.639 32.347 1.00 35.02 ? 85 HIS A C 1 ATOM 323 O O . HIS A 1 42 ? -0.889 13.568 32.240 1.00 40.12 ? 85 HIS A O 1 ATOM 324 C CB . HIS A 1 42 ? -1.155 11.335 34.212 1.00 38.18 ? 85 HIS A CB 1 ATOM 325 C CG . HIS A 1 42 ? -0.958 10.447 35.401 1.00 41.32 ? 85 HIS A CG 1 ATOM 326 N ND1 . HIS A 1 42 ? -0.700 9.098 35.287 1.00 45.05 ? 85 HIS A ND1 1 ATOM 327 C CD2 . HIS A 1 42 ? -0.971 10.717 36.728 1.00 44.90 ? 85 HIS A CD2 1 ATOM 328 C CE1 . HIS A 1 42 ? -0.567 8.574 36.492 1.00 45.49 ? 85 HIS A CE1 1 ATOM 329 N NE2 . HIS A 1 42 ? -0.726 9.535 37.384 1.00 40.30 ? 85 HIS A NE2 1 ATOM 330 N N . LEU A 1 43 ? 0.620 12.173 31.327 1.00 37.51 ? 86 LEU A N 1 ATOM 331 C CA . LEU A 1 43 ? 0.559 12.783 30.007 1.00 36.39 ? 86 LEU A CA 1 ATOM 332 C C . LEU A 1 43 ? -0.686 12.336 29.247 1.00 46.58 ? 86 LEU A C 1 ATOM 333 O O . LEU A 1 43 ? -1.133 11.196 29.378 1.00 46.95 ? 86 LEU A O 1 ATOM 334 C CB . LEU A 1 43 ? 1.822 12.451 29.212 1.00 39.32 ? 86 LEU A CB 1 ATOM 335 C CG . LEU A 1 43 ? 3.138 12.816 29.902 1.00 46.34 ? 86 LEU A CG 1 ATOM 336 C CD1 . LEU A 1 43 ? 4.328 12.349 29.081 1.00 49.14 ? 86 LEU A CD1 1 ATOM 337 C CD2 . LEU A 1 43 ? 3.212 14.315 30.158 1.00 46.43 ? 86 LEU A CD2 1 ATOM 338 N N . GLU A 1 44 ? -1.241 13.244 28.452 1.00 50.08 ? 87 GLU A N 1 ATOM 339 C CA . GLU A 1 44 ? -2.486 12.980 27.744 1.00 42.23 ? 87 GLU A CA 1 ATOM 340 C C . GLU A 1 44 ? -2.243 12.743 26.257 1.00 43.38 ? 87 GLU A C 1 ATOM 341 O O . GLU A 1 44 ? -1.582 13.543 25.593 1.00 48.02 ? 87 GLU A O 1 ATOM 342 C CB . GLU A 1 44 ? -3.460 14.142 27.949 1.00 60.34 ? 87 GLU A CB 1 ATOM 343 C CG . GLU A 1 44 ? -4.901 13.834 27.578 1.00 76.73 ? 87 GLU A CG 1 ATOM 344 C CD . GLU A 1 44 ? -5.851 14.947 27.979 1.00 93.12 ? 87 GLU A CD 1 ATOM 345 O OE1 . GLU A 1 44 ? -5.367 16.024 28.388 1.00 94.51 ? 87 GLU A OE1 1 ATOM 346 O OE2 . GLU A 1 44 ? -7.081 14.745 27.891 1.00 100.23 ? 87 GLU A OE2 1 ATOM 347 N N . ASN A 1 45 ? -2.779 11.636 25.751 1.00 44.13 ? 88 ASN A N 1 ATOM 348 C CA . ASN A 1 45 ? -2.690 11.279 24.336 1.00 52.70 ? 88 ASN A CA 1 ATOM 349 C C . ASN A 1 45 ? -1.261 11.271 23.793 1.00 56.47 ? 88 ASN A C 1 ATOM 350 O O . ASN A 1 45 ? -0.974 11.866 22.754 1.00 61.84 ? 88 ASN A O 1 ATOM 351 C CB . ASN A 1 45 ? -3.585 12.193 23.489 1.00 56.83 ? 88 ASN A CB 1 ATOM 352 C CG . ASN A 1 45 ? -3.854 11.629 22.104 1.00 71.07 ? 88 ASN A CG 1 ATOM 353 O OD1 . ASN A 1 45 ? -3.253 12.058 21.118 1.00 69.54 ? 88 ASN A OD1 1 ATOM 354 N ND2 . ASN A 1 45 ? -4.758 10.660 22.025 1.00 76.90 ? 88 ASN A ND2 1 ATOM 355 N N . VAL A 1 46 ? -0.363 10.601 24.508 1.00 56.18 ? 89 VAL A N 1 ATOM 356 C CA . VAL A 1 46 ? 1.008 10.451 24.038 1.00 56.05 ? 89 VAL A CA 1 ATOM 357 C C . VAL A 1 46 ? 1.341 8.982 23.802 1.00 55.57 ? 89 VAL A C 1 ATOM 358 O O . VAL A 1 46 ? 0.821 8.095 24.481 1.00 56.49 ? 89 VAL A O 1 ATOM 359 C CB . VAL A 1 46 ? 2.036 11.071 25.014 1.00 52.65 ? 89 VAL A CB 1 ATOM 360 C CG1 . VAL A 1 46 ? 1.734 12.542 25.245 1.00 51.18 ? 89 VAL A CG1 1 ATOM 361 C CG2 . VAL A 1 46 ? 2.057 10.316 26.330 1.00 55.49 ? 89 VAL A CG2 1 ATOM 362 N N . THR A 1 47 ? 2.197 8.732 22.818 1.00 49.24 ? 90 THR A N 1 ATOM 363 C CA . THR A 1 47 ? 2.666 7.384 22.537 1.00 44.06 ? 90 THR A CA 1 ATOM 364 C C . THR A 1 47 ? 4.187 7.355 22.583 1.00 42.18 ? 90 THR A C 1 ATOM 365 O O . THR A 1 47 ? 4.856 8.002 21.777 1.00 46.23 ? 90 THR A O 1 ATOM 366 C CB . THR A 1 47 ? 2.182 6.887 21.164 1.00 48.99 ? 90 THR A CB 1 ATOM 367 O OG1 . THR A 1 47 ? 0.750 6.837 21.149 1.00 49.72 ? 90 THR A OG1 1 ATOM 368 C CG2 . THR A 1 47 ? 2.734 5.499 20.877 1.00 49.10 ? 90 THR A CG2 1 ATOM 369 N N . GLU A 1 48 ? 4.728 6.608 23.538 1.00 32.55 ? 91 GLU A N 1 ATOM 370 C CA . GLU A 1 48 ? 6.171 6.522 23.717 1.00 28.97 ? 91 GLU A CA 1 ATOM 371 C C . GLU A 1 48 ? 6.662 5.088 23.573 1.00 28.85 ? 91 GLU A C 1 ATOM 372 O O . GLU A 1 48 ? 6.054 4.158 24.103 1.00 30.62 ? 91 GLU A O 1 ATOM 373 C CB . GLU A 1 48 ? 6.572 7.078 25.085 1.00 26.97 ? 91 GLU A CB 1 ATOM 374 C CG . GLU A 1 48 ? 6.410 8.584 25.217 1.00 38.69 ? 91 GLU A CG 1 ATOM 375 C CD . GLU A 1 48 ? 7.470 9.354 24.454 1.00 46.55 ? 91 GLU A CD 1 ATOM 376 O OE1 . GLU A 1 48 ? 8.583 8.816 24.271 1.00 45.50 ? 91 GLU A OE1 1 ATOM 377 O OE2 . GLU A 1 48 ? 7.192 10.498 24.035 1.00 50.11 ? 91 GLU A OE2 1 ATOM 378 N N . ASN A 1 49 ? 7.763 4.914 22.851 1.00 32.91 ? 92 ASN A N 1 ATOM 379 C CA . ASN A 1 49 ? 8.377 3.602 22.706 1.00 36.55 ? 92 ASN A CA 1 ATOM 380 C C . ASN A 1 49 ? 9.390 3.331 23.813 1.00 32.37 ? 92 ASN A C 1 ATOM 381 O O . ASN A 1 49 ? 10.194 4.197 24.160 1.00 28.32 ? 92 ASN A O 1 ATOM 382 C CB . ASN A 1 49 ? 9.038 3.460 21.333 1.00 40.62 ? 92 ASN A CB 1 ATOM 383 C CG . ASN A 1 49 ? 8.027 3.369 20.204 1.00 51.90 ? 92 ASN A CG 1 ATOM 384 O OD1 . ASN A 1 49 ? 6.976 2.745 20.346 1.00 44.19 ? 92 ASN A OD1 1 ATOM 385 N ND2 . ASN A 1 49 ? 8.342 3.995 19.076 1.00 62.13 ? 92 ASN A ND2 1 ATOM 386 N N . PHE A 1 50 ? 9.338 2.127 24.370 1.00 27.62 ? 93 PHE A N 1 ATOM 387 C CA . PHE A 1 50 ? 10.274 1.720 25.408 1.00 28.45 ? 93 PHE A CA 1 ATOM 388 C C . PHE A 1 50 ? 11.043 0.485 24.962 1.00 31.07 ? 93 PHE A C 1 ATOM 389 O O . PHE A 1 50 ? 10.580 -0.273 24.110 1.00 30.81 ? 93 PHE A O 1 ATOM 390 C CB . PHE A 1 50 ? 9.538 1.417 26.716 1.00 25.77 ? 93 PHE A CB 1 ATOM 391 C CG . PHE A 1 50 ? 8.997 2.633 27.412 1.00 25.88 ? 93 PHE A CG 1 ATOM 392 C CD1 . PHE A 1 50 ? 7.845 3.256 26.957 1.00 33.07 ? 93 PHE A CD1 1 ATOM 393 C CD2 . PHE A 1 50 ? 9.628 3.142 28.535 1.00 22.68 ? 93 PHE A CD2 1 ATOM 394 C CE1 . PHE A 1 50 ? 7.343 4.372 27.601 1.00 26.10 ? 93 PHE A CE1 1 ATOM 395 C CE2 . PHE A 1 50 ? 9.129 4.257 29.185 1.00 26.11 ? 93 PHE A CE2 1 ATOM 396 C CZ . PHE A 1 50 ? 7.986 4.872 28.717 1.00 30.02 ? 93 PHE A CZ 1 ATOM 397 N N . ASN A 1 51 ? 12.221 0.292 25.542 1.00 26.90 ? 94 ASN A N 1 ATOM 398 C CA . ASN A 1 51 ? 13.004 -0.912 25.306 1.00 27.62 ? 94 ASN A CA 1 ATOM 399 C C . ASN A 1 51 ? 13.811 -1.249 26.549 1.00 25.96 ? 94 ASN A C 1 ATOM 400 O O . ASN A 1 51 ? 14.897 -0.710 26.758 1.00 25.49 ? 94 ASN A O 1 ATOM 401 C CB . ASN A 1 51 ? 13.929 -0.736 24.099 1.00 25.80 ? 94 ASN A CB 1 ATOM 402 C CG . ASN A 1 51 ? 14.557 -2.044 23.648 1.00 30.81 ? 94 ASN A CG 1 ATOM 403 O OD1 . ASN A 1 51 ? 14.491 -3.055 24.349 1.00 25.13 ? 94 ASN A OD1 1 ATOM 404 N ND2 . ASN A 1 51 ? 15.176 -2.027 22.474 1.00 35.27 ? 94 ASN A ND2 1 ATOM 405 N N . MET A 1 52 ? 13.272 -2.144 27.371 1.00 24.20 ? 95 MET A N 1 ATOM 406 C CA . MET A 1 52 ? 13.902 -2.515 28.635 1.00 19.28 ? 95 MET A CA 1 ATOM 407 C C . MET A 1 52 ? 15.254 -3.194 28.432 1.00 22.68 ? 95 MET A C 1 ATOM 408 O O . MET A 1 52 ? 16.079 -3.234 29.345 1.00 21.86 ? 95 MET A O 1 ATOM 409 C CB . MET A 1 52 ? 12.981 -3.439 29.437 1.00 17.73 ? 95 MET A CB 1 ATOM 410 C CG . MET A 1 52 ? 12.655 -4.745 28.728 1.00 18.78 ? 95 MET A CG 1 ATOM 411 S SD . MET A 1 52 ? 11.685 -5.890 29.728 1.00 22.81 ? 95 MET A SD 1 ATOM 412 C CE . MET A 1 52 ? 12.844 -6.264 31.043 1.00 23.35 ? 95 MET A CE 1 ATOM 413 N N . TRP A 1 53 ? 15.473 -3.726 27.233 1.00 22.47 ? 96 TRP A N 1 ATOM 414 C CA . TRP A 1 53 ? 16.687 -4.478 26.928 1.00 25.20 ? 96 TRP A CA 1 ATOM 415 C C . TRP A 1 53 ? 17.799 -3.582 26.390 1.00 24.98 ? 96 TRP A C 1 ATOM 416 O O . TRP A 1 53 ? 18.936 -4.022 26.214 1.00 26.00 ? 96 TRP A O 1 ATOM 417 C CB . TRP A 1 53 ? 16.368 -5.611 25.949 1.00 24.87 ? 96 TRP A CB 1 ATOM 418 C CG . TRP A 1 53 ? 15.240 -6.461 26.439 1.00 25.89 ? 96 TRP A CG 1 ATOM 419 C CD1 . TRP A 1 53 ? 13.940 -6.419 26.026 1.00 23.00 ? 96 TRP A CD1 1 ATOM 420 C CD2 . TRP A 1 53 ? 15.303 -7.454 27.469 1.00 25.95 ? 96 TRP A CD2 1 ATOM 421 N NE1 . TRP A 1 53 ? 13.193 -7.338 26.724 1.00 25.18 ? 96 TRP A NE1 1 ATOM 422 C CE2 . TRP A 1 53 ? 14.006 -7.984 27.616 1.00 24.97 ? 96 TRP A CE2 1 ATOM 423 C CE3 . TRP A 1 53 ? 16.332 -7.952 28.273 1.00 25.94 ? 96 TRP A CE3 1 ATOM 424 C CZ2 . TRP A 1 53 ? 13.711 -8.986 28.539 1.00 22.71 ? 96 TRP A CZ2 1 ATOM 425 C CZ3 . TRP A 1 53 ? 16.038 -8.949 29.186 1.00 27.45 ? 96 TRP A CZ3 1 ATOM 426 C CH2 . TRP A 1 53 ? 14.739 -9.456 29.311 1.00 25.94 ? 96 TRP A CH2 1 ATOM 427 N N . LYS A 1 54 ? 17.460 -2.322 26.136 1.00 20.71 ? 97 LYS A N 1 ATOM 428 C CA . LYS A 1 54 ? 18.433 -1.319 25.719 1.00 23.22 ? 97 LYS A CA 1 ATOM 429 C C . LYS A 1 54 ? 18.196 -0.045 26.518 1.00 27.12 ? 97 LYS A C 1 ATOM 430 O O . LYS A 1 54 ? 17.739 0.964 25.983 1.00 24.88 ? 97 LYS A O 1 ATOM 431 C CB . LYS A 1 54 ? 18.310 -1.030 24.222 1.00 25.88 ? 97 LYS A CB 1 ATOM 432 C CG . LYS A 1 54 ? 18.643 -2.210 23.322 1.00 42.39 ? 97 LYS A CG 1 ATOM 433 C CD . LYS A 1 54 ? 20.115 -2.582 23.411 1.00 56.48 ? 97 LYS A CD 1 ATOM 434 C CE . LYS A 1 54 ? 20.462 -3.698 22.436 1.00 66.90 ? 97 LYS A CE 1 ATOM 435 N NZ . LYS A 1 54 ? 21.910 -4.042 22.471 1.00 62.64 ? 97 LYS A NZ 1 ATOM 436 N N . ASN A 1 55 ? 18.506 -0.103 27.807 1.00 23.65 ? 98 ASN A N 1 ATOM 437 C CA . ASN A 1 55 ? 18.198 0.987 28.721 1.00 19.71 ? 98 ASN A CA 1 ATOM 438 C C . ASN A 1 55 ? 19.404 1.310 29.595 1.00 20.90 ? 98 ASN A C 1 ATOM 439 O O . ASN A 1 55 ? 19.807 0.503 30.430 1.00 22.30 ? 98 ASN A O 1 ATOM 440 C CB . ASN A 1 55 ? 16.988 0.607 29.578 1.00 21.72 ? 98 ASN A CB 1 ATOM 441 C CG . ASN A 1 55 ? 16.508 1.741 30.463 1.00 25.98 ? 98 ASN A CG 1 ATOM 442 O OD1 . ASN A 1 55 ? 17.046 2.848 30.433 1.00 26.05 ? 98 ASN A OD1 1 ATOM 443 N ND2 . ASN A 1 55 ? 15.476 1.470 31.254 1.00 24.42 ? 98 ASN A ND2 1 ATOM 444 N N . ASN A 1 56 ? 19.973 2.494 29.395 1.00 22.65 ? 99 ASN A N 1 ATOM 445 C CA . ASN A 1 56 ? 21.190 2.899 30.095 1.00 22.08 ? 99 ASN A CA 1 ATOM 446 C C . ASN A 1 56 ? 21.017 3.016 31.611 1.00 20.15 ? 99 ASN A C 1 ATOM 447 O O . ASN A 1 56 ? 21.998 2.989 32.356 1.00 20.46 ? 99 ASN A O 1 ATOM 448 C CB . ASN A 1 56 ? 21.731 4.207 29.507 1.00 22.53 ? 99 ASN A CB 1 ATOM 449 C CG . ASN A 1 56 ? 23.097 4.573 30.053 1.00 28.90 ? 99 ASN A CG 1 ATOM 450 O OD1 . ASN A 1 56 ? 23.244 5.555 30.781 1.00 28.36 ? 99 ASN A OD1 1 ATOM 451 N ND2 . ASN A 1 56 ? 24.105 3.781 29.708 1.00 33.08 ? 99 ASN A ND2 1 ATOM 452 N N . MET A 1 57 ? 19.772 3.138 32.066 1.00 18.96 ? 100 MET A N 1 ATOM 453 C CA . MET A 1 57 ? 19.486 3.176 33.499 1.00 16.93 ? 100 MET A CA 1 ATOM 454 C C . MET A 1 57 ? 19.939 1.876 34.159 1.00 19.23 ? 100 MET A C 1 ATOM 455 O O . MET A 1 57 ? 20.359 1.866 35.317 1.00 19.97 ? 100 MET A O 1 ATOM 456 C CB . MET A 1 57 ? 17.990 3.384 33.752 1.00 15.33 ? 100 MET A CB 1 ATOM 457 C CG . MET A 1 57 ? 17.405 4.645 33.130 1.00 18.85 ? 100 MET A CG 1 ATOM 458 S SD . MET A 1 57 ? 15.639 4.815 33.464 1.00 22.10 ? 100 MET A SD 1 ATOM 459 C CE . MET A 1 57 ? 15.657 5.319 35.184 1.00 20.37 ? 100 MET A CE 1 ATOM 460 N N . VAL A 1 58 ? 19.845 0.782 33.409 1.00 20.44 ? 101 VAL A N 1 ATOM 461 C CA . VAL A 1 58 ? 20.245 -0.533 33.892 1.00 19.91 ? 101 VAL A CA 1 ATOM 462 C C . VAL A 1 58 ? 21.757 -0.608 34.095 1.00 16.97 ? 101 VAL A C 1 ATOM 463 O O . VAL A 1 58 ? 22.229 -1.103 35.120 1.00 19.04 ? 101 VAL A O 1 ATOM 464 C CB . VAL A 1 58 ? 19.798 -1.643 32.920 1.00 19.45 ? 101 VAL A CB 1 ATOM 465 C CG1 . VAL A 1 58 ? 20.318 -3.001 33.375 1.00 20.56 ? 101 VAL A CG1 1 ATOM 466 C CG2 . VAL A 1 58 ? 18.280 -1.657 32.798 1.00 19.00 ? 101 VAL A CG2 1 ATOM 467 N N . GLU A 1 59 ? 22.509 -0.112 33.117 1.00 18.54 ? 102 GLU A N 1 ATOM 468 C CA . GLU A 1 59 ? 23.966 -0.078 33.216 1.00 20.37 ? 102 GLU A CA 1 ATOM 469 C C . GLU A 1 59 ? 24.426 0.773 34.395 1.00 23.06 ? 102 GLU A C 1 ATOM 470 O O . GLU A 1 59 ? 25.402 0.440 35.070 1.00 19.98 ? 102 GLU A O 1 ATOM 471 C CB . GLU A 1 59 ? 24.590 0.442 31.918 1.00 28.90 ? 102 GLU A CB 1 ATOM 472 C CG . GLU A 1 59 ? 24.914 -0.642 30.898 1.00 35.13 ? 102 GLU A CG 1 ATOM 473 C CD . GLU A 1 59 ? 23.679 -1.346 30.370 1.00 38.68 ? 102 GLU A CD 1 ATOM 474 O OE1 . GLU A 1 59 ? 23.777 -2.546 30.036 1.00 39.60 ? 102 GLU A OE1 1 ATOM 475 O OE2 . GLU A 1 59 ? 22.614 -0.700 30.280 1.00 32.18 ? 102 GLU A OE2 1 ATOM 476 N N . GLN A 1 60 ? 23.718 1.870 34.644 1.00 18.08 ? 103 GLN A N 1 ATOM 477 C CA . GLN A 1 60 ? 24.069 2.755 35.749 1.00 21.14 ? 103 GLN A CA 1 ATOM 478 C C . GLN A 1 60 ? 23.788 2.122 37.111 1.00 21.07 ? 103 GLN A C 1 ATOM 479 O O . GLN A 1 60 ? 24.586 2.259 38.039 1.00 20.42 ? 103 GLN A O 1 ATOM 480 C CB . GLN A 1 60 ? 23.363 4.107 35.615 1.00 18.53 ? 103 GLN A CB 1 ATOM 481 C CG . GLN A 1 60 ? 23.875 4.940 34.449 1.00 18.78 ? 103 GLN A CG 1 ATOM 482 C CD . GLN A 1 60 ? 23.378 6.370 34.485 1.00 27.61 ? 103 GLN A CD 1 ATOM 483 O OE1 . GLN A 1 60 ? 23.445 7.037 35.518 1.00 21.21 ? 103 GLN A OE1 1 ATOM 484 N NE2 . GLN A 1 60 ? 22.873 6.849 33.354 1.00 24.42 ? 103 GLN A NE2 1 ATOM 485 N N . MET A 1 61 ? 22.662 1.424 37.232 1.00 19.31 ? 104 MET A N 1 ATOM 486 C CA . MET A 1 61 ? 22.356 0.731 38.478 1.00 21.46 ? 104 MET A CA 1 ATOM 487 C C . MET A 1 61 ? 23.371 -0.378 38.738 1.00 20.59 ? 104 MET A C 1 ATOM 488 O O . MET A 1 61 ? 23.813 -0.568 39.871 1.00 17.17 ? 104 MET A O 1 ATOM 489 C CB . MET A 1 61 ? 20.934 0.163 38.483 1.00 19.43 ? 104 MET A CB 1 ATOM 490 C CG . MET A 1 61 ? 20.618 -0.618 39.755 1.00 22.61 ? 104 MET A CG 1 ATOM 491 S SD . MET A 1 61 ? 18.878 -1.009 40.002 1.00 22.51 ? 104 MET A SD 1 ATOM 492 C CE . MET A 1 61 ? 18.936 -1.751 41.632 1.00 35.83 ? 104 MET A CE 1 ATOM 493 N N . GLN A 1 62 ? 23.740 -1.098 37.681 1.00 17.60 ? 105 GLN A N 1 ATOM 494 C CA . GLN A 1 62 ? 24.754 -2.144 37.771 1.00 20.25 ? 105 GLN A CA 1 ATOM 495 C C . GLN A 1 62 ? 26.059 -1.591 38.339 1.00 19.99 ? 105 GLN A C 1 ATOM 496 O O . GLN A 1 62 ? 26.679 -2.208 39.205 1.00 18.98 ? 105 GLN A O 1 ATOM 497 C CB . GLN A 1 62 ? 25.000 -2.769 36.394 1.00 17.66 ? 105 GLN A CB 1 ATOM 498 C CG . GLN A 1 62 ? 26.147 -3.773 36.343 1.00 24.19 ? 105 GLN A CG 1 ATOM 499 C CD . GLN A 1 62 ? 25.735 -5.173 36.769 1.00 17.70 ? 105 GLN A CD 1 ATOM 500 O OE1 . GLN A 1 62 ? 24.699 -5.365 37.405 1.00 25.77 ? 105 GLN A OE1 1 ATOM 501 N NE2 . GLN A 1 62 ? 26.549 -6.161 36.411 1.00 24.87 ? 105 GLN A NE2 1 ATOM 502 N N . GLU A 1 63 ? 26.464 -0.421 37.854 1.00 18.23 ? 106 GLU A N 1 ATOM 503 C CA . GLU A 1 63 ? 27.691 0.222 38.318 1.00 23.35 ? 106 GLU A CA 1 ATOM 504 C C . GLU A 1 63 ? 27.627 0.588 39.802 1.00 19.17 ? 106 GLU A C 1 ATOM 505 O O . GLU A 1 63 ? 28.616 0.447 40.524 1.00 20.68 ? 106 GLU A O 1 ATOM 506 C CB . GLU A 1 63 ? 28.005 1.453 37.465 1.00 26.26 ? 106 GLU A CB 1 ATOM 507 C CG . GLU A 1 63 ? 28.400 1.115 36.033 1.00 31.75 ? 106 GLU A CG 1 ATOM 508 C CD . GLU A 1 63 ? 28.343 2.315 35.104 1.00 52.97 ? 106 GLU A CD 1 ATOM 509 O OE1 . GLU A 1 63 ? 27.753 3.345 35.492 1.00 56.02 ? 106 GLU A OE1 1 ATOM 510 O OE2 . GLU A 1 63 ? 28.888 2.225 33.983 1.00 52.79 ? 106 GLU A OE2 1 ATOM 511 N N . ASP A 1 64 ? 26.465 1.056 40.251 1.00 20.69 ? 107 ASP A N 1 ATOM 512 C CA . ASP A 1 64 ? 26.254 1.371 41.663 1.00 22.03 ? 107 ASP A CA 1 ATOM 513 C C . ASP A 1 64 ? 26.375 0.135 42.547 1.00 22.70 ? 107 ASP A C 1 ATOM 514 O O . ASP A 1 64 ? 27.044 0.163 43.578 1.00 18.30 ? 107 ASP A O 1 ATOM 515 C CB . ASP A 1 64 ? 24.874 1.986 41.885 1.00 13.21 ? 107 ASP A CB 1 ATOM 516 C CG . ASP A 1 64 ? 24.830 3.463 41.561 1.00 21.26 ? 107 ASP A CG 1 ATOM 517 O OD1 . ASP A 1 64 ? 25.896 4.055 41.290 1.00 19.63 ? 107 ASP A OD1 1 ATOM 518 O OD2 . ASP A 1 64 ? 23.721 4.031 41.600 1.00 21.55 ? 107 ASP A OD2 1 ATOM 519 N N . VAL A 1 65 ? 25.706 -0.942 42.146 1.00 20.23 ? 108 VAL A N 1 ATOM 520 C CA . VAL A 1 65 ? 25.685 -2.164 42.943 1.00 19.51 ? 108 VAL A CA 1 ATOM 521 C C . VAL A 1 65 ? 27.072 -2.798 43.021 1.00 19.30 ? 108 VAL A C 1 ATOM 522 O O . VAL A 1 65 ? 27.468 -3.310 44.068 1.00 20.25 ? 108 VAL A O 1 ATOM 523 C CB . VAL A 1 65 ? 24.652 -3.178 42.409 1.00 17.83 ? 108 VAL A CB 1 ATOM 524 C CG1 . VAL A 1 65 ? 24.609 -4.415 43.295 1.00 21.38 ? 108 VAL A CG1 1 ATOM 525 C CG2 . VAL A 1 65 ? 23.276 -2.538 42.342 1.00 20.71 ? 108 VAL A CG2 1 ATOM 526 N N . ILE A 1 66 ? 27.808 -2.750 41.915 1.00 17.76 ? 109 ILE A N 1 ATOM 527 C CA . ILE A 1 66 ? 29.182 -3.240 41.896 1.00 20.13 ? 109 ILE A CA 1 ATOM 528 C C . ILE A 1 66 ? 30.034 -2.432 42.869 1.00 19.71 ? 109 ILE A C 1 ATOM 529 O O . ILE A 1 66 ? 30.806 -2.993 43.651 1.00 19.93 ? 109 ILE A O 1 ATOM 530 C CB . ILE A 1 66 ? 29.793 -3.168 40.482 1.00 19.04 ? 109 ILE A CB 1 ATOM 531 C CG1 . ILE A 1 66 ? 29.151 -4.221 39.573 1.00 18.78 ? 109 ILE A CG1 1 ATOM 532 C CG2 . ILE A 1 66 ? 31.298 -3.378 40.531 1.00 20.77 ? 109 ILE A CG2 1 ATOM 533 C CD1 . ILE A 1 66 ? 29.674 -4.203 38.150 1.00 24.13 ? 109 ILE A CD1 1 ATOM 534 N N . SER A 1 67 ? 29.874 -1.114 42.824 1.00 18.12 ? 110 SER A N 1 ATOM 535 C CA . SER A 1 67 ? 30.597 -0.219 43.721 1.00 23.74 ? 110 SER A CA 1 ATOM 536 C C . SER A 1 67 ? 30.244 -0.500 45.179 1.00 28.21 ? 110 SER A C 1 ATOM 537 O O . SER A 1 67 ? 31.117 -0.506 46.049 1.00 23.31 ? 110 SER A O 1 ATOM 538 C CB . SER A 1 67 ? 30.293 1.241 43.379 1.00 28.92 ? 110 SER A CB 1 ATOM 539 O OG . SER A 1 67 ? 30.975 2.120 44.256 1.00 37.57 ? 110 SER A OG 1 ATOM 540 N N . LEU A 1 68 ? 28.961 -0.735 45.436 1.00 22.90 ? 111 LEU A N 1 ATOM 541 C CA . LEU A 1 68 ? 28.483 -1.029 46.784 1.00 18.26 ? 111 LEU A CA 1 ATOM 542 C C . LEU A 1 68 ? 29.114 -2.311 47.320 1.00 21.36 ? 111 LEU A C 1 ATOM 543 O O . LEU A 1 68 ? 29.649 -2.331 48.427 1.00 24.67 ? 111 LEU A O 1 ATOM 544 C CB . LEU A 1 68 ? 26.953 -1.136 46.797 1.00 20.08 ? 111 LEU A CB 1 ATOM 545 C CG . LEU A 1 68 ? 26.228 -1.151 48.149 1.00 24.17 ? 111 LEU A CG 1 ATOM 546 C CD1 . LEU A 1 68 ? 24.844 -0.534 48.008 1.00 26.48 ? 111 LEU A CD1 1 ATOM 547 C CD2 . LEU A 1 68 ? 26.113 -2.560 48.715 1.00 27.79 ? 111 LEU A CD2 1 ATOM 548 N N . TRP A 1 69 ? 29.052 -3.377 46.527 1.00 21.87 ? 112 TRP A N 1 ATOM 549 C CA . TRP A 1 69 ? 29.607 -4.666 46.930 1.00 20.76 ? 112 TRP A CA 1 ATOM 550 C C . TRP A 1 69 ? 31.122 -4.611 47.114 1.00 25.33 ? 112 TRP A C 1 ATOM 551 O O . TRP A 1 69 ? 31.660 -5.193 48.057 1.00 25.34 ? 112 TRP A O 1 ATOM 552 C CB . TRP A 1 69 ? 29.226 -5.757 45.924 1.00 18.90 ? 112 TRP A CB 1 ATOM 553 C CG . TRP A 1 69 ? 27.859 -6.333 46.157 1.00 16.91 ? 112 TRP A CG 1 ATOM 554 C CD1 . TRP A 1 69 ? 26.681 -5.649 46.220 1.00 18.89 ? 112 TRP A CD1 1 ATOM 555 C CD2 . TRP A 1 69 ? 27.531 -7.715 46.353 1.00 18.03 ? 112 TRP A CD2 1 ATOM 556 N NE1 . TRP A 1 69 ? 25.640 -6.517 46.447 1.00 17.49 ? 112 TRP A NE1 1 ATOM 557 C CE2 . TRP A 1 69 ? 26.135 -7.790 46.532 1.00 16.18 ? 112 TRP A CE2 1 ATOM 558 C CE3 . TRP A 1 69 ? 28.282 -8.894 46.395 1.00 22.30 ? 112 TRP A CE3 1 ATOM 559 C CZ2 . TRP A 1 69 ? 25.474 -8.999 46.748 1.00 19.10 ? 112 TRP A CZ2 1 ATOM 560 C CZ3 . TRP A 1 69 ? 27.624 -10.092 46.610 1.00 23.45 ? 112 TRP A CZ3 1 ATOM 561 C CH2 . TRP A 1 69 ? 26.235 -10.135 46.784 1.00 24.44 ? 112 TRP A CH2 1 ATOM 562 N N . ASP A 1 70 ? 31.805 -3.905 46.219 1.00 23.19 ? 113 ASP A N 1 ATOM 563 C CA . ASP A 1 70 ? 33.259 -3.789 46.289 1.00 28.61 ? 113 ASP A CA 1 ATOM 564 C C . ASP A 1 70 ? 33.724 -3.087 47.564 1.00 37.61 ? 113 ASP A C 1 ATOM 565 O O . ASP A 1 70 ? 34.791 -3.393 48.094 1.00 35.49 ? 113 ASP A O 1 ATOM 566 C CB . ASP A 1 70 ? 33.808 -3.063 45.059 1.00 35.40 ? 113 ASP A CB 1 ATOM 567 C CG . ASP A 1 70 ? 33.714 -3.899 43.796 1.00 61.48 ? 113 ASP A CG 1 ATOM 568 O OD1 . ASP A 1 70 ? 33.539 -5.132 43.908 1.00 64.56 ? 113 ASP A OD1 1 ATOM 569 O OD2 . ASP A 1 70 ? 33.822 -3.325 42.692 1.00 65.80 ? 113 ASP A OD2 1 ATOM 570 N N . GLN A 1 71 ? 32.918 -2.150 48.054 1.00 31.02 ? 114 GLN A N 1 ATOM 571 C CA . GLN A 1 71 ? 33.257 -1.405 49.263 1.00 37.17 ? 114 GLN A CA 1 ATOM 572 C C . GLN A 1 71 ? 32.789 -2.115 50.530 1.00 34.92 ? 114 GLN A C 1 ATOM 573 O O . GLN A 1 71 ? 33.272 -1.825 51.625 1.00 35.61 ? 114 GLN A O 1 ATOM 574 C CB . GLN A 1 71 ? 32.635 -0.008 49.220 1.00 36.98 ? 114 GLN A CB 1 ATOM 575 C CG . GLN A 1 71 ? 33.104 0.865 48.071 1.00 43.12 ? 114 GLN A CG 1 ATOM 576 C CD . GLN A 1 71 ? 32.296 2.143 47.954 1.00 48.23 ? 114 GLN A CD 1 ATOM 577 O OE1 . GLN A 1 71 ? 31.656 2.576 48.913 1.00 47.61 ? 114 GLN A OE1 1 ATOM 578 N NE2 . GLN A 1 71 ? 32.316 2.751 46.774 1.00 50.38 ? 114 GLN A NE2 1 ATOM 579 N N . SER A 1 72 ? 31.851 -3.044 50.379 1.00 25.84 ? 115 SER A N 1 ATOM 580 C CA . SER A 1 72 ? 31.165 -3.629 51.528 1.00 26.65 ? 115 SER A CA 1 ATOM 581 C C . SER A 1 72 ? 31.536 -5.085 51.798 1.00 32.04 ? 115 SER A C 1 ATOM 582 O O . SER A 1 72 ? 31.861 -5.447 52.928 1.00 27.36 ? 115 SER A O 1 ATOM 583 C CB . SER A 1 72 ? 29.651 -3.512 51.348 1.00 27.36 ? 115 SER A CB 1 ATOM 584 O OG . SER A 1 72 ? 29.267 -2.164 51.127 1.00 34.33 ? 115 SER A OG 1 ATOM 585 N N . LEU A 1 73 ? 31.466 -5.919 50.766 1.00 27.93 ? 116 LEU A N 1 ATOM 586 C CA . LEU A 1 73 ? 31.759 -7.341 50.915 1.00 33.52 ? 116 LEU A CA 1 ATOM 587 C C . LEU A 1 73 ? 33.183 -7.661 50.486 1.00 47.43 ? 116 LEU A C 1 ATOM 588 O O . LEU A 1 73 ? 33.488 -7.719 49.295 1.00 52.02 ? 116 LEU A O 1 ATOM 589 C CB . LEU A 1 73 ? 30.765 -8.198 50.125 1.00 42.32 ? 116 LEU A CB 1 ATOM 590 C CG . LEU A 1 73 ? 29.350 -8.334 50.693 1.00 45.11 ? 116 LEU A CG 1 ATOM 591 C CD1 . LEU A 1 73 ? 28.511 -7.101 50.390 1.00 44.86 ? 116 LEU A CD1 1 ATOM 592 C CD2 . LEU A 1 73 ? 28.677 -9.593 50.165 1.00 48.88 ? 116 LEU A CD2 1 ATOM 593 N N . GLN A 1 74 ? 34.049 -7.870 51.471 1.00 38.54 ? 117 GLN A N 1 ATOM 594 C CA . GLN A 1 74 ? 35.456 -8.139 51.220 1.00 42.21 ? 117 GLN A CA 1 ATOM 595 C C . GLN A 1 74 ? 35.744 -9.631 51.325 1.00 39.50 ? 117 GLN A C 1 ATOM 596 O O . GLN A 1 74 ? 35.664 -10.203 52.410 1.00 31.13 ? 117 GLN A O 1 ATOM 597 C CB . GLN A 1 74 ? 36.319 -7.385 52.233 1.00 43.20 ? 117 GLN A CB 1 ATOM 598 C CG . GLN A 1 74 ? 35.931 -5.927 52.433 1.00 55.00 ? 117 GLN A CG 1 ATOM 599 C CD . GLN A 1 74 ? 36.471 -5.022 51.345 1.00 70.45 ? 117 GLN A CD 1 ATOM 600 O OE1 . GLN A 1 74 ? 37.486 -5.323 50.717 1.00 78.30 ? 117 GLN A OE1 1 ATOM 601 N NE2 . GLN A 1 74 ? 35.794 -3.902 51.117 1.00 71.45 ? 117 GLN A NE2 1 ATOM 602 N N . PRO A 1 75 ? 36.075 -10.271 50.195 1.00 36.21 ? 118 PRO A N 1 ATOM 603 C CA . PRO A 1 75 ? 36.497 -11.674 50.234 1.00 33.54 ? 118 PRO A CA 1 ATOM 604 C C . PRO A 1 75 ? 37.914 -11.796 50.784 1.00 34.89 ? 118 PRO A C 1 ATOM 605 O O . PRO A 1 75 ? 38.703 -10.862 50.640 1.00 39.58 ? 118 PRO A O 1 ATOM 606 C CB . PRO A 1 75 ? 36.457 -12.090 48.762 1.00 40.47 ? 118 PRO A CB 1 ATOM 607 C CG . PRO A 1 75 ? 36.663 -10.825 48.010 1.00 42.25 ? 118 PRO A CG 1 ATOM 608 C CD . PRO A 1 75 ? 36.006 -9.746 48.820 1.00 38.34 ? 118 PRO A CD 1 ATOM 609 N N . CYS A 1 76 ? 38.223 -12.927 51.411 1.00 31.38 ? 119 CYS A N 1 ATOM 610 C CA . CYS A 1 76 ? 39.545 -13.150 51.986 1.00 35.58 ? 119 CYS A CA 1 ATOM 611 C C . CYS A 1 76 ? 40.612 -13.211 50.900 1.00 38.61 ? 119 CYS A C 1 ATOM 612 O O . CYS A 1 76 ? 41.723 -12.711 51.076 1.00 49.96 ? 119 CYS A O 1 ATOM 613 C CB . CYS A 1 76 ? 39.562 -14.445 52.803 1.00 36.55 ? 119 CYS A CB 1 ATOM 614 S SG . CYS A 1 76 ? 38.362 -14.494 54.155 1.00 61.10 ? 119 CYS A SG 1 ATOM 615 N N . VAL A 1 77 ? 40.267 -13.833 49.778 1.00 42.93 ? 120 VAL A N 1 ATOM 616 C CA . VAL A 1 77 ? 41.189 -13.973 48.659 1.00 46.84 ? 120 VAL A CA 1 ATOM 617 C C . VAL A 1 77 ? 40.520 -13.570 47.348 1.00 46.71 ? 120 VAL A C 1 ATOM 618 O O . VAL A 1 77 ? 39.448 -14.072 47.009 1.00 40.18 ? 120 VAL A O 1 ATOM 619 C CB . VAL A 1 77 ? 41.708 -15.422 48.532 1.00 43.52 ? 120 VAL A CB 1 ATOM 620 C CG1 . VAL A 1 77 ? 42.616 -15.559 47.318 1.00 47.38 ? 120 VAL A CG1 1 ATOM 621 C CG2 . VAL A 1 77 ? 42.439 -15.844 49.798 1.00 46.63 ? 120 VAL A CG2 1 ATOM 622 N N . LYS A 1 78 ? 41.156 -12.657 46.619 1.00 40.08 ? 121 LYS A N 1 ATOM 623 C CA . LYS A 1 78 ? 40.673 -12.245 45.307 1.00 43.79 ? 121 LYS A CA 1 ATOM 624 C C . LYS A 1 78 ? 41.568 -12.808 44.210 1.00 38.66 ? 121 LYS A C 1 ATOM 625 O O . LYS A 1 78 ? 42.779 -12.586 44.210 1.00 46.43 ? 121 LYS A O 1 ATOM 626 C CB . LYS A 1 78 ? 40.621 -10.719 45.202 1.00 60.37 ? 121 LYS A CB 1 ATOM 627 C CG . LYS A 1 78 ? 39.619 -10.061 46.130 1.00 70.37 ? 121 LYS A CG 1 ATOM 628 C CD . LYS A 1 78 ? 39.569 -8.557 45.910 1.00 76.15 ? 121 LYS A CD 1 ATOM 629 C CE . LYS A 1 78 ? 38.531 -7.902 46.807 1.00 83.95 ? 121 LYS A CE 1 ATOM 630 N NZ . LYS A 1 78 ? 38.473 -6.428 46.610 1.00 89.94 ? 121 LYS A NZ 1 ATOM 631 N N . LEU A 1 79 ? 40.965 -13.534 43.276 1.00 39.32 ? 122 LEU A N 1 ATOM 632 C CA . LEU A 1 79 ? 41.709 -14.163 42.191 1.00 53.29 ? 122 LEU A CA 1 ATOM 633 C C . LEU A 1 79 ? 41.283 -13.588 40.845 1.00 61.60 ? 122 LEU A C 1 ATOM 634 O O . LEU A 1 79 ? 40.550 -14.227 40.090 1.00 62.23 ? 122 LEU A O 1 ATOM 635 C CB . LEU A 1 79 ? 41.484 -15.674 42.214 1.00 52.74 ? 122 LEU A CB 1 ATOM 636 C CG . LEU A 1 79 ? 41.801 -16.353 43.547 1.00 54.80 ? 122 LEU A CG 1 ATOM 637 C CD1 . LEU A 1 79 ? 41.061 -17.672 43.661 1.00 59.95 ? 122 LEU A CD1 1 ATOM 638 C CD2 . LEU A 1 79 ? 43.300 -16.560 43.701 1.00 54.10 ? 122 LEU A CD2 1 ATOM 639 N N . THR A 1 80 ? 41.747 -12.377 40.550 1.00 71.08 ? 123 THR A N 1 ATOM 640 C CA . THR A 1 80 ? 41.338 -11.677 39.338 1.00 80.01 ? 123 THR A CA 1 ATOM 641 C C . THR A 1 80 ? 42.523 -11.333 38.440 1.00 84.16 ? 123 THR A C 1 ATOM 642 O O . THR A 1 80 ? 43.418 -10.587 38.837 1.00 83.76 ? 123 THR A O 1 ATOM 643 C CB . THR A 1 80 ? 40.592 -10.371 39.671 1.00 84.95 ? 123 THR A CB 1 ATOM 644 O OG1 . THR A 1 80 ? 41.537 -9.363 40.052 1.00 92.78 ? 123 THR A OG1 1 ATOM 645 C CG2 . THR A 1 80 ? 39.605 -10.590 40.806 1.00 83.75 ? 123 THR A CG2 1 ATOM 646 N N . GLY A 1 81 ? 42.517 -11.880 37.227 1.00 86.54 ? 124 GLY A N 1 ATOM 647 C CA . GLY A 1 81 ? 43.518 -11.552 36.227 1.00 88.53 ? 124 GLY A CA 1 ATOM 648 C C . GLY A 1 81 ? 44.940 -11.928 36.597 1.00 90.19 ? 124 GLY A C 1 ATOM 649 O O . GLY A 1 81 ? 45.869 -11.148 36.388 1.00 94.44 ? 124 GLY A O 1 ATOM 650 N N . GLY A 1 82 ? 45.112 -13.124 37.152 1.00 83.79 ? 198 GLY A N 1 ATOM 651 C CA . GLY A 1 82 ? 46.431 -13.620 37.501 1.00 82.39 ? 198 GLY A CA 1 ATOM 652 C C . GLY A 1 82 ? 46.996 -13.025 38.777 1.00 79.73 ? 198 GLY A C 1 ATOM 653 O O . GLY A 1 82 ? 48.010 -13.496 39.294 1.00 81.29 ? 198 GLY A O 1 ATOM 654 N N . SER A 1 83 ? 46.342 -11.986 39.287 1.00 73.97 ? 199 SER A N 1 ATOM 655 C CA . SER A 1 83 ? 46.783 -11.329 40.510 1.00 70.42 ? 199 SER A CA 1 ATOM 656 C C . SER A 1 83 ? 46.026 -11.867 41.719 1.00 66.67 ? 199 SER A C 1 ATOM 657 O O . SER A 1 83 ? 44.801 -11.977 41.698 1.00 71.50 ? 199 SER A O 1 ATOM 658 C CB . SER A 1 83 ? 46.595 -9.814 40.404 1.00 71.54 ? 199 SER A CB 1 ATOM 659 O OG . SER A 1 83 ? 45.232 -9.480 40.209 1.00 67.20 ? 199 SER A OG 1 ATOM 660 N N . VAL A 1 84 ? 46.765 -12.202 42.771 1.00 64.85 ? 200 VAL A N 1 ATOM 661 C CA . VAL A 1 84 ? 46.164 -12.722 43.992 1.00 57.91 ? 200 VAL A CA 1 ATOM 662 C C . VAL A 1 84 ? 46.177 -11.666 45.091 1.00 60.41 ? 200 VAL A C 1 ATOM 663 O O . VAL A 1 84 ? 47.235 -11.165 45.472 1.00 63.74 ? 200 VAL A O 1 ATOM 664 C CB . VAL A 1 84 ? 46.901 -13.978 44.490 1.00 64.55 ? 200 VAL A CB 1 ATOM 665 C CG1 . VAL A 1 84 ? 46.245 -14.509 45.756 1.00 69.86 ? 200 VAL A CG1 1 ATOM 666 C CG2 . VAL A 1 84 ? 46.923 -15.044 43.406 1.00 61.79 ? 200 VAL A CG2 1 ATOM 667 N N . ILE A 1 85 ? 44.995 -11.331 45.597 1.00 50.55 ? 201 ILE A N 1 ATOM 668 C CA . ILE A 1 85 ? 44.868 -10.316 46.636 1.00 57.21 ? 201 ILE A CA 1 ATOM 669 C C . ILE A 1 85 ? 44.363 -10.910 47.946 1.00 62.23 ? 201 ILE A C 1 ATOM 670 O O . ILE A 1 85 ? 43.208 -11.326 48.045 1.00 63.51 ? 201 ILE A O 1 ATOM 671 C CB . ILE A 1 85 ? 43.916 -9.185 46.203 1.00 60.57 ? 201 ILE A CB 1 ATOM 672 C CG1 . ILE A 1 85 ? 44.407 -8.539 44.906 1.00 63.83 ? 201 ILE A CG1 1 ATOM 673 C CG2 . ILE A 1 85 ? 43.785 -8.146 47.307 1.00 59.78 ? 201 ILE A CG2 1 ATOM 674 C CD1 . ILE A 1 85 ? 43.507 -7.434 44.395 1.00 61.31 ? 201 ILE A CD1 1 ATOM 675 N N . LYS A 1 86 ? 45.234 -10.949 48.949 1.00 63.01 ? 202 LYS A N 1 ATOM 676 C CA . LYS A 1 86 ? 44.848 -11.413 50.275 1.00 56.26 ? 202 LYS A CA 1 ATOM 677 C C . LYS A 1 86 ? 44.579 -10.218 51.180 1.00 57.24 ? 202 LYS A C 1 ATOM 678 O O . LYS A 1 86 ? 45.426 -9.337 51.327 1.00 65.18 ? 202 LYS A O 1 ATOM 679 C CB . LYS A 1 86 ? 45.938 -12.296 50.883 1.00 54.89 ? 202 LYS A CB 1 ATOM 680 C CG . LYS A 1 86 ? 46.431 -13.402 49.966 1.00 60.61 ? 202 LYS A CG 1 ATOM 681 C CD . LYS A 1 86 ? 47.346 -14.361 50.709 1.00 65.44 ? 202 LYS A CD 1 ATOM 682 C CE . LYS A 1 86 ? 48.178 -15.192 49.745 1.00 75.56 ? 202 LYS A CE 1 ATOM 683 N NZ . LYS A 1 86 ? 47.338 -15.881 48.728 1.00 76.13 ? 202 LYS A NZ 1 ATOM 684 N N . GLN A 1 87 ? 43.397 -10.192 51.785 1.00 53.48 ? 203 GLN A N 1 ATOM 685 C CA . GLN A 1 87 ? 43.002 -9.073 52.630 1.00 60.24 ? 203 GLN A CA 1 ATOM 686 C C . GLN A 1 87 ? 42.111 -9.539 53.773 1.00 63.50 ? 203 GLN A C 1 ATOM 687 O O . GLN A 1 87 ? 41.701 -10.699 53.821 1.00 59.32 ? 203 GLN A O 1 ATOM 688 C CB . GLN A 1 87 ? 42.265 -8.022 51.800 1.00 57.86 ? 203 GLN A CB 1 ATOM 689 C CG . GLN A 1 87 ? 40.967 -8.525 51.191 1.00 64.16 ? 203 GLN A CG 1 ATOM 690 C CD . GLN A 1 87 ? 40.293 -7.490 50.312 1.00 73.48 ? 203 GLN A CD 1 ATOM 691 O OE1 . GLN A 1 87 ? 39.104 -7.596 50.011 1.00 81.02 ? 203 GLN A OE1 1 ATOM 692 N NE2 . GLN A 1 87 ? 41.051 -6.485 49.893 1.00 70.26 ? 203 GLN A NE2 1 ATOM 693 N N . ALA A 1 88 ? 41.816 -8.627 54.695 1.00 59.76 ? 204 ALA A N 1 ATOM 694 C CA . ALA A 1 88 ? 40.903 -8.923 55.790 1.00 54.10 ? 204 ALA A CA 1 ATOM 695 C C . ALA A 1 88 ? 39.494 -9.121 55.244 1.00 50.36 ? 204 ALA A C 1 ATOM 696 O O . ALA A 1 88 ? 39.102 -8.483 54.266 1.00 45.83 ? 204 ALA A O 1 ATOM 697 C CB . ALA A 1 88 ? 40.927 -7.806 56.819 1.00 50.62 ? 204 ALA A CB 1 ATOM 698 N N . CYS A 1 89 ? 38.738 -10.011 55.875 1.00 47.54 ? 205 CYS A N 1 ATOM 699 C CA . CYS A 1 89 ? 37.387 -10.322 55.420 1.00 44.57 ? 205 CYS A CA 1 ATOM 700 C C . CYS A 1 89 ? 36.407 -10.371 56.587 1.00 41.86 ? 205 CYS A C 1 ATOM 701 O O . CYS A 1 89 ? 35.905 -11.440 56.936 1.00 40.09 ? 205 CYS A O 1 ATOM 702 C CB . CYS A 1 89 ? 37.382 -11.654 54.670 1.00 44.02 ? 205 CYS A CB 1 ATOM 703 S SG . CYS A 1 89 ? 38.320 -12.964 55.490 1.00 43.82 ? 205 CYS A SG 1 ATOM 704 N N . PRO A 1 90 ? 36.118 -9.206 57.186 1.00 48.35 ? 206 PRO A N 1 ATOM 705 C CA . PRO A 1 90 ? 35.285 -9.154 58.390 1.00 45.61 ? 206 PRO A CA 1 ATOM 706 C C . PRO A 1 90 ? 33.816 -9.439 58.094 1.00 27.96 ? 206 PRO A C 1 ATOM 707 O O . PRO A 1 90 ? 33.346 -9.199 56.981 1.00 35.19 ? 206 PRO A O 1 ATOM 708 C CB . PRO A 1 90 ? 35.454 -7.708 58.859 1.00 40.36 ? 206 PRO A CB 1 ATOM 709 C CG . PRO A 1 90 ? 35.690 -6.947 57.603 1.00 46.34 ? 206 PRO A CG 1 ATOM 710 C CD . PRO A 1 90 ? 36.496 -7.860 56.719 1.00 49.86 ? 206 PRO A CD 1 ATOM 711 N N . LYS A 1 91 ? 33.106 -9.955 59.091 1.00 33.86 ? 207 LYS A N 1 ATOM 712 C CA . LYS A 1 91 ? 31.671 -10.176 58.976 1.00 30.20 ? 207 LYS A CA 1 ATOM 713 C C . LYS A 1 91 ? 30.932 -8.847 59.060 1.00 32.90 ? 207 LYS A C 1 ATOM 714 O O . LYS A 1 91 ? 31.307 -7.970 59.837 1.00 29.59 ? 207 LYS A O 1 ATOM 715 C CB . LYS A 1 91 ? 31.192 -11.132 60.067 1.00 30.57 ? 207 LYS A CB 1 ATOM 716 C CG . LYS A 1 91 ? 31.562 -12.575 59.796 1.00 31.66 ? 207 LYS A CG 1 ATOM 717 C CD . LYS A 1 91 ? 30.828 -13.069 58.562 1.00 40.54 ? 207 LYS A CD 1 ATOM 718 C CE . LYS A 1 91 ? 31.642 -14.090 57.805 1.00 47.61 ? 207 LYS A CE 1 ATOM 719 N NZ . LYS A 1 91 ? 30.914 -14.611 56.615 1.00 31.12 ? 207 LYS A NZ 1 ATOM 720 N N . ILE A 1 92 ? 29.885 -8.699 58.256 1.00 25.76 ? 208 ILE A N 1 ATOM 721 C CA . ILE A 1 92 ? 29.188 -7.422 58.153 1.00 23.54 ? 208 ILE A CA 1 ATOM 722 C C . ILE A 1 92 ? 27.690 -7.537 58.411 1.00 25.12 ? 208 ILE A C 1 ATOM 723 O O . ILE A 1 92 ? 27.140 -8.634 58.502 1.00 28.09 ? 208 ILE A O 1 ATOM 724 C CB . ILE A 1 92 ? 29.378 -6.793 56.758 1.00 28.62 ? 208 ILE A CB 1 ATOM 725 C CG1 . ILE A 1 92 ? 28.751 -7.688 55.685 1.00 29.71 ? 208 ILE A CG1 1 ATOM 726 C CG2 . ILE A 1 92 ? 30.851 -6.553 56.471 1.00 31.58 ? 208 ILE A CG2 1 ATOM 727 C CD1 . ILE A 1 92 ? 28.829 -7.114 54.287 1.00 31.10 ? 208 ILE A CD1 1 ATOM 728 N N . SER A 1 93 ? 27.042 -6.382 58.533 1.00 23.94 ? 209 SER A N 1 ATOM 729 C CA . SER A 1 93 ? 25.590 -6.304 58.589 1.00 24.57 ? 209 SER A CA 1 ATOM 730 C C . SER A 1 93 ? 25.085 -6.048 57.176 1.00 26.33 ? 209 SER A C 1 ATOM 731 O O . SER A 1 93 ? 25.432 -5.039 56.566 1.00 19.98 ? 209 SER A O 1 ATOM 732 C CB . SER A 1 93 ? 25.155 -5.170 59.517 1.00 29.02 ? 209 SER A CB 1 ATOM 733 O OG . SER A 1 93 ? 23.747 -5.021 59.521 1.00 26.98 ? 209 SER A OG 1 ATOM 734 N N . PHE A 1 94 ? 24.271 -6.963 56.658 1.00 21.81 ? 210 PHE A N 1 ATOM 735 C CA . PHE A 1 94 ? 23.869 -6.926 55.254 1.00 24.28 ? 210 PHE A CA 1 ATOM 736 C C . PHE A 1 94 ? 22.361 -7.104 55.091 1.00 23.03 ? 210 PHE A C 1 ATOM 737 O O . PHE A 1 94 ? 21.805 -8.128 55.488 1.00 24.25 ? 210 PHE A O 1 ATOM 738 C CB . PHE A 1 94 ? 24.619 -8.019 54.481 1.00 22.57 ? 210 PHE A CB 1 ATOM 739 C CG . PHE A 1 94 ? 24.386 -7.996 52.994 1.00 18.27 ? 210 PHE A CG 1 ATOM 740 C CD1 . PHE A 1 94 ? 23.309 -8.665 52.434 1.00 23.52 ? 210 PHE A CD1 1 ATOM 741 C CD2 . PHE A 1 94 ? 25.261 -7.329 52.154 1.00 23.69 ? 210 PHE A CD2 1 ATOM 742 C CE1 . PHE A 1 94 ? 23.099 -8.652 51.068 1.00 22.31 ? 210 PHE A CE1 1 ATOM 743 C CE2 . PHE A 1 94 ? 25.057 -7.316 50.785 1.00 26.85 ? 210 PHE A CE2 1 ATOM 744 C CZ . PHE A 1 94 ? 23.975 -7.978 50.244 1.00 21.41 ? 210 PHE A CZ 1 ATOM 745 N N . ASP A 1 95 ? 21.711 -6.105 54.499 1.00 19.02 ? 211 ASP A N 1 ATOM 746 C CA . ASP A 1 95 ? 20.275 -6.151 54.227 1.00 20.26 ? 211 ASP A CA 1 ATOM 747 C C . ASP A 1 95 ? 19.903 -5.012 53.280 1.00 23.58 ? 211 ASP A C 1 ATOM 748 O O . ASP A 1 95 ? 19.867 -3.852 53.689 1.00 23.78 ? 211 ASP A O 1 ATOM 749 C CB . ASP A 1 95 ? 19.473 -6.046 55.528 1.00 27.35 ? 211 ASP A CB 1 ATOM 750 C CG . ASP A 1 95 ? 17.987 -6.292 55.324 1.00 41.86 ? 211 ASP A CG 1 ATOM 751 O OD1 . ASP A 1 95 ? 17.617 -6.955 54.332 1.00 36.73 ? 211 ASP A OD1 1 ATOM 752 O OD2 . ASP A 1 95 ? 17.188 -5.826 56.163 1.00 46.68 ? 211 ASP A OD2 1 ATOM 753 N N . PRO A 1 96 ? 19.635 -5.344 52.006 1.00 23.70 ? 212 PRO A N 1 ATOM 754 C CA . PRO A 1 96 ? 19.384 -4.354 50.950 1.00 18.40 ? 212 PRO A CA 1 ATOM 755 C C . PRO A 1 96 ? 18.261 -3.369 51.278 1.00 19.82 ? 212 PRO A C 1 ATOM 756 O O . PRO A 1 96 ? 17.249 -3.750 51.867 1.00 20.55 ? 212 PRO A O 1 ATOM 757 C CB . PRO A 1 96 ? 18.994 -5.220 49.747 1.00 17.99 ? 212 PRO A CB 1 ATOM 758 C CG . PRO A 1 96 ? 19.667 -6.528 49.999 1.00 19.58 ? 212 PRO A CG 1 ATOM 759 C CD . PRO A 1 96 ? 19.589 -6.723 51.487 1.00 26.52 ? 212 PRO A CD 1 ATOM 760 N N . ILE A 1 97 ? 18.457 -2.109 50.899 1.00 18.90 ? 213 ILE A N 1 ATOM 761 C CA . ILE A 1 97 ? 17.445 -1.077 51.087 1.00 15.61 ? 213 ILE A CA 1 ATOM 762 C C . ILE A 1 97 ? 17.049 -0.497 49.731 1.00 17.26 ? 213 ILE A C 1 ATOM 763 O O . ILE A 1 97 ? 17.832 -0.547 48.782 1.00 18.24 ? 213 ILE A O 1 ATOM 764 C CB . ILE A 1 97 ? 17.939 0.053 52.020 1.00 25.59 ? 213 ILE A CB 1 ATOM 765 C CG1 . ILE A 1 97 ? 19.085 0.834 51.372 1.00 20.96 ? 213 ILE A CG1 1 ATOM 766 C CG2 . ILE A 1 97 ? 18.353 -0.511 53.374 1.00 27.20 ? 213 ILE A CG2 1 ATOM 767 C CD1 . ILE A 1 97 ? 19.485 2.075 52.145 1.00 24.48 ? 213 ILE A CD1 1 ATOM 768 N N . PRO A 1 98 ? 15.822 0.036 49.626 1.00 20.17 ? 214 PRO A N 1 ATOM 769 C CA . PRO A 1 98 ? 15.371 0.599 48.347 1.00 16.09 ? 214 PRO A CA 1 ATOM 770 C C . PRO A 1 98 ? 16.185 1.818 47.918 1.00 20.08 ? 214 PRO A C 1 ATOM 771 O O . PRO A 1 98 ? 16.448 2.710 48.727 1.00 20.14 ? 214 PRO A O 1 ATOM 772 C CB . PRO A 1 98 ? 13.924 1.009 48.637 1.00 21.04 ? 214 PRO A CB 1 ATOM 773 C CG . PRO A 1 98 ? 13.504 0.137 49.771 1.00 28.68 ? 214 PRO A CG 1 ATOM 774 C CD . PRO A 1 98 ? 14.732 -0.020 50.616 1.00 24.20 ? 214 PRO A CD 1 ATOM 775 N N . ILE A 1 99 ? 16.575 1.840 46.647 1.00 17.95 ? 215 ILE A N 1 ATOM 776 C CA . ILE A 1 99 ? 17.312 2.957 46.068 1.00 18.19 ? 215 ILE A CA 1 ATOM 777 C C . ILE A 1 99 ? 16.516 3.556 44.911 1.00 20.18 ? 215 ILE A C 1 ATOM 778 O O . ILE A 1 99 ? 16.049 2.830 44.034 1.00 22.22 ? 215 ILE A O 1 ATOM 779 C CB . ILE A 1 99 ? 18.684 2.504 45.538 1.00 23.80 ? 215 ILE A CB 1 ATOM 780 C CG1 . ILE A 1 99 ? 19.486 1.810 46.642 1.00 21.37 ? 215 ILE A CG1 1 ATOM 781 C CG2 . ILE A 1 99 ? 19.457 3.685 44.965 1.00 26.01 ? 215 ILE A CG2 1 ATOM 782 C CD1 . ILE A 1 99 ? 19.759 2.689 47.845 1.00 25.63 ? 215 ILE A CD1 1 ATOM 783 N N . HIS A 1 100 ? 16.362 4.876 44.916 1.00 21.56 ? 216 HIS A N 1 ATOM 784 C CA . HIS A 1 100 ? 15.637 5.573 43.858 1.00 23.22 ? 216 HIS A CA 1 ATOM 785 C C . HIS A 1 100 ? 16.614 6.177 42.857 1.00 24.51 ? 216 HIS A C 1 ATOM 786 O O . HIS A 1 100 ? 17.653 6.703 43.243 1.00 22.18 ? 216 HIS A O 1 ATOM 787 C CB . HIS A 1 100 ? 14.775 6.690 44.446 1.00 16.98 ? 216 HIS A CB 1 ATOM 788 C CG . HIS A 1 100 ? 13.795 6.227 45.479 1.00 24.22 ? 216 HIS A CG 1 ATOM 789 N ND1 . HIS A 1 100 ? 12.443 6.125 45.230 1.00 26.91 ? 216 HIS A ND1 1 ATOM 790 C CD2 . HIS A 1 100 ? 13.968 5.852 46.769 1.00 25.26 ? 216 HIS A CD2 1 ATOM 791 C CE1 . HIS A 1 100 ? 11.827 5.703 46.319 1.00 24.80 ? 216 HIS A CE1 1 ATOM 792 N NE2 . HIS A 1 100 ? 12.730 5.529 47.267 1.00 23.06 ? 216 HIS A NE2 1 ATOM 793 N N . TYR A 1 101 ? 16.282 6.108 41.572 1.00 19.20 ? 217 TYR A N 1 ATOM 794 C CA . TYR A 1 101 ? 17.123 6.720 40.546 1.00 15.70 ? 217 TYR A CA 1 ATOM 795 C C . TYR A 1 101 ? 16.464 7.959 39.951 1.00 19.96 ? 217 TYR A C 1 ATOM 796 O O . TYR A 1 101 ? 15.303 7.922 39.547 1.00 18.36 ? 217 TYR A O 1 ATOM 797 C CB . TYR A 1 101 ? 17.513 5.700 39.472 1.00 20.66 ? 217 TYR A CB 1 ATOM 798 C CG . TYR A 1 101 ? 18.588 4.761 39.966 1.00 20.57 ? 217 TYR A CG 1 ATOM 799 C CD1 . TYR A 1 101 ? 19.931 5.067 39.794 1.00 23.65 ? 217 TYR A CD1 1 ATOM 800 C CD2 . TYR A 1 101 ? 18.262 3.594 40.643 1.00 24.82 ? 217 TYR A CD2 1 ATOM 801 C CE1 . TYR A 1 101 ? 20.920 4.227 40.261 1.00 17.66 ? 217 TYR A CE1 1 ATOM 802 C CE2 . TYR A 1 101 ? 19.247 2.744 41.116 1.00 25.78 ? 217 TYR A CE2 1 ATOM 803 C CZ . TYR A 1 101 ? 20.574 3.068 40.922 1.00 24.48 ? 217 TYR A CZ 1 ATOM 804 O OH . TYR A 1 101 ? 21.563 2.234 41.389 1.00 28.92 ? 217 TYR A OH 1 ATOM 805 N N . CYS A 1 102 ? 17.215 9.056 39.910 1.00 17.18 ? 218 CYS A N 1 ATOM 806 C CA . CYS A 1 102 ? 16.644 10.361 39.599 1.00 21.49 ? 218 CYS A CA 1 ATOM 807 C C . CYS A 1 102 ? 17.418 11.110 38.517 1.00 18.06 ? 218 CYS A C 1 ATOM 808 O O . CYS A 1 102 ? 18.629 10.947 38.377 1.00 22.21 ? 218 CYS A O 1 ATOM 809 C CB . CYS A 1 102 ? 16.583 11.218 40.866 1.00 26.77 ? 218 CYS A CB 1 ATOM 810 S SG . CYS A 1 102 ? 16.013 10.348 42.352 1.00 29.21 ? 218 CYS A SG 1 ATOM 811 N N . THR A 1 103 ? 16.707 11.945 37.765 1.00 21.69 ? 219 THR A N 1 ATOM 812 C CA . THR A 1 103 ? 17.310 12.736 36.697 1.00 22.31 ? 219 THR A CA 1 ATOM 813 C C . THR A 1 103 ? 17.706 14.131 37.169 1.00 20.54 ? 219 THR A C 1 ATOM 814 O O . THR A 1 103 ? 17.044 14.712 38.030 1.00 23.85 ? 219 THR A O 1 ATOM 815 C CB . THR A 1 103 ? 16.345 12.886 35.500 1.00 22.56 ? 219 THR A CB 1 ATOM 816 O OG1 . THR A 1 103 ? 14.997 12.958 35.982 1.00 24.73 ? 219 THR A OG1 1 ATOM 817 C CG2 . THR A 1 103 ? 16.472 11.702 34.557 1.00 23.08 ? 219 THR A CG2 1 ATOM 818 N N . PRO A 1 104 ? 18.793 14.677 36.600 1.00 24.94 ? 220 PRO A N 1 ATOM 819 C CA . PRO A 1 104 ? 19.198 16.057 36.880 1.00 26.35 ? 220 PRO A CA 1 ATOM 820 C C . PRO A 1 104 ? 18.349 17.043 36.084 1.00 31.16 ? 220 PRO A C 1 ATOM 821 O O . PRO A 1 104 ? 17.452 16.624 35.350 1.00 26.66 ? 220 PRO A O 1 ATOM 822 C CB . PRO A 1 104 ? 20.643 16.095 36.386 1.00 29.23 ? 220 PRO A CB 1 ATOM 823 C CG . PRO A 1 104 ? 20.670 15.105 35.276 1.00 26.07 ? 220 PRO A CG 1 ATOM 824 C CD . PRO A 1 104 ? 19.744 13.996 35.703 1.00 30.31 ? 220 PRO A CD 1 ATOM 825 N N . ALA A 1 105 ? 18.634 18.333 36.231 1.00 31.42 ? 221 ALA A N 1 ATOM 826 C CA . ALA A 1 105 ? 17.898 19.371 35.518 1.00 29.10 ? 221 ALA A CA 1 ATOM 827 C C . ALA A 1 105 ? 18.050 19.223 34.007 1.00 33.92 ? 221 ALA A C 1 ATOM 828 O O . ALA A 1 105 ? 19.115 18.850 33.514 1.00 32.21 ? 221 ALA A O 1 ATOM 829 C CB . ALA A 1 105 ? 18.357 20.751 35.968 1.00 31.20 ? 221 ALA A CB 1 ATOM 830 N N . GLY A 1 106 ? 16.975 19.511 33.278 1.00 33.05 ? 222 GLY A N 1 ATOM 831 C CA . GLY A 1 106 ? 16.984 19.414 31.830 1.00 34.86 ? 222 GLY A CA 1 ATOM 832 C C . GLY A 1 106 ? 16.533 18.054 31.335 1.00 32.36 ? 222 GLY A C 1 ATOM 833 O O . GLY A 1 106 ? 16.368 17.842 30.134 1.00 35.66 ? 222 GLY A O 1 ATOM 834 N N . TYR A 1 107 ? 16.332 17.131 32.269 1.00 24.02 ? 223 TYR A N 1 ATOM 835 C CA . TYR A 1 107 ? 15.919 15.774 31.938 1.00 23.86 ? 223 TYR A CA 1 ATOM 836 C C . TYR A 1 107 ? 14.741 15.353 32.805 1.00 27.41 ? 223 TYR A C 1 ATOM 837 O O . TYR A 1 107 ? 14.476 15.953 33.847 1.00 28.87 ? 223 TYR A O 1 ATOM 838 C CB . TYR A 1 107 ? 17.077 14.794 32.149 1.00 28.12 ? 223 TYR A CB 1 ATOM 839 C CG . TYR A 1 107 ? 18.266 15.023 31.243 1.00 31.30 ? 223 TYR A CG 1 ATOM 840 C CD1 . TYR A 1 107 ? 19.229 15.975 31.553 1.00 33.44 ? 223 TYR A CD1 1 ATOM 841 C CD2 . TYR A 1 107 ? 18.433 14.276 30.084 1.00 28.80 ? 223 TYR A CD2 1 ATOM 842 C CE1 . TYR A 1 107 ? 20.319 16.184 30.729 1.00 34.73 ? 223 TYR A CE1 1 ATOM 843 C CE2 . TYR A 1 107 ? 19.521 14.477 29.255 1.00 31.33 ? 223 TYR A CE2 1 ATOM 844 C CZ . TYR A 1 107 ? 20.460 15.432 29.582 1.00 33.25 ? 223 TYR A CZ 1 ATOM 845 O OH . TYR A 1 107 ? 21.544 15.636 28.759 1.00 40.62 ? 223 TYR A OH 1 ATOM 846 N N . VAL A 1 108 ? 14.040 14.311 32.373 1.00 26.04 ? 224 VAL A N 1 ATOM 847 C CA . VAL A 1 108 ? 12.955 13.744 33.161 1.00 23.43 ? 224 VAL A CA 1 ATOM 848 C C . VAL A 1 108 ? 12.840 12.251 32.860 1.00 24.29 ? 224 VAL A C 1 ATOM 849 O O . VAL A 1 108 ? 13.369 11.770 31.858 1.00 23.80 ? 224 VAL A O 1 ATOM 850 C CB . VAL A 1 108 ? 11.613 14.466 32.888 1.00 39.12 ? 224 VAL A CB 1 ATOM 851 C CG1 . VAL A 1 108 ? 10.933 13.898 31.654 1.00 30.11 ? 224 VAL A CG1 1 ATOM 852 C CG2 . VAL A 1 108 ? 10.694 14.371 34.097 1.00 41.06 ? 224 VAL A CG2 1 ATOM 853 N N . ILE A 1 109 ? 12.173 11.518 33.742 1.00 19.40 ? 225 ILE A N 1 ATOM 854 C CA . ILE A 1 109 ? 11.957 10.094 33.535 1.00 18.81 ? 225 ILE A CA 1 ATOM 855 C C . ILE A 1 109 ? 10.520 9.846 33.099 1.00 20.90 ? 225 ILE A C 1 ATOM 856 O O . ILE A 1 109 ? 9.580 10.265 33.774 1.00 24.29 ? 225 ILE A O 1 ATOM 857 C CB . ILE A 1 109 ? 12.244 9.289 34.816 1.00 20.18 ? 225 ILE A CB 1 ATOM 858 C CG1 . ILE A 1 109 ? 13.714 9.428 35.215 1.00 25.03 ? 225 ILE A CG1 1 ATOM 859 C CG2 . ILE A 1 109 ? 11.886 7.823 34.619 1.00 22.33 ? 225 ILE A CG2 1 ATOM 860 C CD1 . ILE A 1 109 ? 14.043 8.814 36.558 1.00 22.80 ? 225 ILE A CD1 1 ATOM 861 N N . LEU A 1 110 ? 10.351 9.179 31.963 1.00 18.74 ? 226 LEU A N 1 ATOM 862 C CA . LEU A 1 110 ? 9.021 8.779 31.526 1.00 19.50 ? 226 LEU A CA 1 ATOM 863 C C . LEU A 1 110 ? 8.717 7.388 32.063 1.00 22.12 ? 226 LEU A C 1 ATOM 864 O O . LEU A 1 110 ? 9.577 6.505 32.056 1.00 22.69 ? 226 LEU A O 1 ATOM 865 C CB . LEU A 1 110 ? 8.900 8.814 29.999 1.00 21.75 ? 226 LEU A CB 1 ATOM 866 C CG . LEU A 1 110 ? 9.083 10.181 29.336 1.00 25.21 ? 226 LEU A CG 1 ATOM 867 C CD1 . LEU A 1 110 ? 8.717 10.122 27.855 1.00 28.58 ? 226 LEU A CD1 1 ATOM 868 C CD2 . LEU A 1 110 ? 8.263 11.245 30.052 1.00 28.61 ? 226 LEU A CD2 1 ATOM 869 N N . LYS A 1 111 ? 7.492 7.203 32.538 1.00 23.55 ? 227 LYS A N 1 ATOM 870 C CA . LYS A 1 111 ? 7.090 5.949 33.156 1.00 22.52 ? 227 LYS A CA 1 ATOM 871 C C . LYS A 1 111 ? 5.886 5.356 32.436 1.00 24.28 ? 227 LYS A C 1 ATOM 872 O O . LYS A 1 111 ? 4.852 6.009 32.297 1.00 25.46 ? 227 LYS A O 1 ATOM 873 C CB . LYS A 1 111 ? 6.759 6.178 34.631 1.00 24.53 ? 227 LYS A CB 1 ATOM 874 C CG . LYS A 1 111 ? 6.323 4.933 35.383 1.00 25.72 ? 227 LYS A CG 1 ATOM 875 C CD . LYS A 1 111 ? 5.896 5.282 36.801 1.00 26.04 ? 227 LYS A CD 1 ATOM 876 C CE . LYS A 1 111 ? 5.459 4.046 37.571 1.00 35.41 ? 227 LYS A CE 1 ATOM 877 N NZ . LYS A 1 111 ? 4.981 4.388 38.941 1.00 35.20 ? 227 LYS A NZ 1 ATOM 878 N N . CYS A 1 112 ? 6.025 4.119 31.973 1.00 23.64 ? 228 CYS A N 1 ATOM 879 C CA . CYS A 1 112 ? 4.924 3.438 31.305 1.00 27.04 ? 228 CYS A CA 1 ATOM 880 C C . CYS A 1 112 ? 3.965 2.827 32.319 1.00 27.27 ? 228 CYS A C 1 ATOM 881 O O . CYS A 1 112 ? 4.371 2.050 33.184 1.00 26.54 ? 228 CYS A O 1 ATOM 882 C CB . CYS A 1 112 ? 5.445 2.357 30.362 1.00 28.41 ? 228 CYS A CB 1 ATOM 883 S SG . CYS A 1 112 ? 4.133 1.378 29.609 1.00 34.12 ? 228 CYS A SG 1 ATOM 884 N N . ASN A 1 113 ? 2.689 3.178 32.201 1.00 28.06 ? 229 ASN A N 1 ATOM 885 C CA . ASN A 1 113 ? 1.681 2.720 33.147 1.00 29.62 ? 229 ASN A CA 1 ATOM 886 C C . ASN A 1 113 ? 0.679 1.737 32.543 1.00 27.99 ? 229 ASN A C 1 ATOM 887 O O . ASN A 1 113 ? -0.335 1.418 33.162 1.00 32.52 ? 229 ASN A O 1 ATOM 888 C CB . ASN A 1 113 ? 0.954 3.917 33.764 1.00 28.70 ? 229 ASN A CB 1 ATOM 889 C CG . ASN A 1 113 ? 1.892 4.833 34.530 1.00 30.49 ? 229 ASN A CG 1 ATOM 890 O OD1 . ASN A 1 113 ? 2.686 4.379 35.353 1.00 32.34 ? 229 ASN A OD1 1 ATOM 891 N ND2 . ASN A 1 113 ? 1.813 6.129 34.252 1.00 30.25 ? 229 ASN A ND2 1 ATOM 892 N N . ASP A 1 114 ? 0.964 1.262 31.332 1.00 29.70 ? 230 ASP A N 1 ATOM 893 C CA . ASP A 1 114 ? 0.143 0.231 30.703 1.00 25.53 ? 230 ASP A CA 1 ATOM 894 C C . ASP A 1 114 ? 0.191 -1.048 31.532 1.00 29.60 ? 230 ASP A C 1 ATOM 895 O O . ASP A 1 114 ? 1.268 -1.532 31.877 1.00 28.80 ? 230 ASP A O 1 ATOM 896 C CB . ASP A 1 114 ? 0.613 -0.040 29.272 1.00 27.99 ? 230 ASP A CB 1 ATOM 897 C CG . ASP A 1 114 ? 0.147 1.022 28.294 1.00 44.12 ? 230 ASP A CG 1 ATOM 898 O OD1 . ASP A 1 114 ? -0.376 2.061 28.747 1.00 40.29 ? 230 ASP A OD1 1 ATOM 899 O OD2 . ASP A 1 114 ? 0.306 0.818 27.071 1.00 38.01 ? 230 ASP A OD2 1 ATOM 900 N N . LYS A 1 115 ? -0.980 -1.594 31.840 1.00 34.84 ? 231 LYS A N 1 ATOM 901 C CA . LYS A 1 115 ? -1.090 -2.682 32.808 1.00 45.94 ? 231 LYS A CA 1 ATOM 902 C C . LYS A 1 115 ? -0.534 -4.021 32.318 1.00 35.34 ? 231 LYS A C 1 ATOM 903 O O . LYS A 1 115 ? -0.148 -4.866 33.125 1.00 36.39 ? 231 LYS A O 1 ATOM 904 C CB . LYS A 1 115 ? -2.542 -2.843 33.264 1.00 59.69 ? 231 LYS A CB 1 ATOM 905 C CG . LYS A 1 115 ? -2.690 -3.158 34.744 1.00 75.07 ? 231 LYS A CG 1 ATOM 906 C CD . LYS A 1 115 ? -4.151 -3.269 35.145 1.00 87.02 ? 231 LYS A CD 1 ATOM 907 C CE . LYS A 1 115 ? -4.295 -3.602 36.622 1.00 88.72 ? 231 LYS A CE 1 ATOM 908 N NZ . LYS A 1 115 ? -5.664 -4.087 36.948 1.00 87.30 ? 231 LYS A NZ 1 ATOM 909 N N . ASN A 1 116 ? -0.493 -4.213 31.003 1.00 32.74 ? 232 ASN A N 1 ATOM 910 C CA . ASN A 1 116 ? 0.019 -5.457 30.432 1.00 43.77 ? 232 ASN A CA 1 ATOM 911 C C . ASN A 1 116 ? 1.287 -5.221 29.610 1.00 34.01 ? 232 ASN A C 1 ATOM 912 O O . ASN A 1 116 ? 1.590 -5.964 28.677 1.00 35.45 ? 232 ASN A O 1 ATOM 913 C CB . ASN A 1 116 ? -1.062 -6.142 29.588 1.00 45.58 ? 232 ASN A CB 1 ATOM 914 C CG . ASN A 1 116 ? -0.765 -7.611 29.332 1.00 56.13 ? 232 ASN A CG 1 ATOM 915 O OD1 . ASN A 1 116 ? -0.427 -8.003 28.214 1.00 55.79 ? 232 ASN A OD1 1 ATOM 916 N ND2 . ASN A 1 116 ? -0.889 -8.431 30.371 1.00 43.83 ? 232 ASN A ND2 1 ATOM 917 N N . PHE A 1 117 ? 2.025 -4.176 29.973 1.00 30.67 ? 233 PHE A N 1 ATOM 918 C CA . PHE A 1 117 ? 3.248 -3.795 29.273 1.00 31.31 ? 233 PHE A CA 1 ATOM 919 C C . PHE A 1 117 ? 4.339 -4.854 29.432 1.00 26.54 ? 233 PHE A C 1 ATOM 920 O O . PHE A 1 117 ? 4.675 -5.246 30.550 1.00 27.21 ? 233 PHE A O 1 ATOM 921 C CB . PHE A 1 117 ? 3.734 -2.440 29.794 1.00 30.85 ? 233 PHE A CB 1 ATOM 922 C CG . PHE A 1 117 ? 4.945 -1.910 29.084 1.00 31.23 ? 233 PHE A CG 1 ATOM 923 C CD1 . PHE A 1 117 ? 4.941 -1.742 27.710 1.00 37.04 ? 233 PHE A CD1 1 ATOM 924 C CD2 . PHE A 1 117 ? 6.080 -1.556 29.795 1.00 34.61 ? 233 PHE A CD2 1 ATOM 925 C CE1 . PHE A 1 117 ? 6.052 -1.247 27.055 1.00 38.51 ? 233 PHE A CE1 1 ATOM 926 C CE2 . PHE A 1 117 ? 7.193 -1.057 29.147 1.00 36.62 ? 233 PHE A CE2 1 ATOM 927 C CZ . PHE A 1 117 ? 7.178 -0.905 27.775 1.00 38.02 ? 233 PHE A CZ 1 ATOM 928 N N . ASN A 1 118 ? 4.892 -5.313 28.312 1.00 25.09 ? 234 ASN A N 1 ATOM 929 C CA . ASN A 1 118 ? 5.887 -6.385 28.342 1.00 24.99 ? 234 ASN A CA 1 ATOM 930 C C . ASN A 1 118 ? 7.336 -5.904 28.401 1.00 24.97 ? 234 ASN A C 1 ATOM 931 O O . ASN A 1 118 ? 8.257 -6.710 28.526 1.00 28.76 ? 234 ASN A O 1 ATOM 932 C CB . ASN A 1 118 ? 5.688 -7.357 27.172 1.00 25.87 ? 234 ASN A CB 1 ATOM 933 C CG . ASN A 1 118 ? 5.781 -6.678 25.817 1.00 34.89 ? 234 ASN A CG 1 ATOM 934 O OD1 . ASN A 1 118 ? 6.427 -5.640 25.664 1.00 35.85 ? 234 ASN A OD1 1 ATOM 935 N ND2 . ASN A 1 118 ? 5.128 -7.268 24.821 1.00 35.61 ? 234 ASN A ND2 1 ATOM 936 N N . GLY A 1 119 ? 7.534 -4.594 28.306 1.00 22.55 ? 235 GLY A N 1 ATOM 937 C CA . GLY A 1 119 ? 8.864 -4.025 28.419 1.00 24.36 ? 235 GLY A CA 1 ATOM 938 C C . GLY A 1 119 ? 9.391 -3.419 27.133 1.00 29.63 ? 235 GLY A C 1 ATOM 939 O O . GLY A 1 119 ? 10.324 -2.617 27.157 1.00 27.42 ? 235 GLY A O 1 ATOM 940 N N . THR A 1 120 ? 8.803 -3.806 26.004 1.00 24.88 ? 236 THR A N 1 ATOM 941 C CA . THR A 1 120 ? 9.220 -3.275 24.711 1.00 34.58 ? 236 THR A CA 1 ATOM 942 C C . THR A 1 120 ? 8.027 -2.771 23.909 1.00 41.67 ? 236 THR A C 1 ATOM 943 O O . THR A 1 120 ? 6.911 -3.272 24.053 1.00 43.45 ? 236 THR A O 1 ATOM 944 C CB . THR A 1 120 ? 9.960 -4.332 23.865 1.00 43.07 ? 236 THR A CB 1 ATOM 945 O OG1 . THR A 1 120 ? 9.036 -5.344 23.443 1.00 41.01 ? 236 THR A OG1 1 ATOM 946 C CG2 . THR A 1 120 ? 11.088 -4.971 24.659 1.00 30.93 ? 236 THR A CG2 1 ATOM 947 N N . GLY A 1 121 ? 8.270 -1.779 23.061 1.00 33.26 ? 237 GLY A N 1 ATOM 948 C CA . GLY A 1 121 ? 7.236 -1.255 22.190 1.00 36.28 ? 237 GLY A CA 1 ATOM 949 C C . GLY A 1 121 ? 6.583 0.004 22.722 1.00 32.72 ? 237 GLY A C 1 ATOM 950 O O . GLY A 1 121 ? 7.085 0.623 23.664 1.00 30.01 ? 237 GLY A O 1 ATOM 951 N N . PRO A 1 122 ? 5.451 0.390 22.117 1.00 33.18 ? 238 PRO A N 1 ATOM 952 C CA . PRO A 1 122 ? 4.728 1.615 22.471 1.00 38.49 ? 238 PRO A CA 1 ATOM 953 C C . PRO A 1 122 ? 3.933 1.485 23.767 1.00 39.52 ? 238 PRO A C 1 ATOM 954 O O . PRO A 1 122 ? 3.442 0.404 24.092 1.00 38.73 ? 238 PRO A O 1 ATOM 955 C CB . PRO A 1 122 ? 3.777 1.805 21.288 1.00 34.31 ? 238 PRO A CB 1 ATOM 956 C CG . PRO A 1 122 ? 3.530 0.424 20.790 1.00 38.91 ? 238 PRO A CG 1 ATOM 957 C CD . PRO A 1 122 ? 4.825 -0.315 20.984 1.00 32.57 ? 238 PRO A CD 1 ATOM 958 N N . CYS A 1 123 ? 3.813 2.592 24.492 1.00 33.09 ? 239 CYS A N 1 ATOM 959 C CA . CYS A 1 123 ? 3.028 2.645 25.718 1.00 29.48 ? 239 CYS A CA 1 ATOM 960 C C . CYS A 1 123 ? 2.017 3.782 25.609 1.00 30.59 ? 239 CYS A C 1 ATOM 961 O O . CYS A 1 123 ? 2.371 4.897 25.225 1.00 37.42 ? 239 CYS A O 1 ATOM 962 C CB . CYS A 1 123 ? 3.946 2.860 26.922 1.00 33.89 ? 239 CYS A CB 1 ATOM 963 S SG . CYS A 1 123 ? 3.122 2.772 28.525 1.00 40.03 ? 239 CYS A SG 1 ATOM 964 N N . LYS A 1 124 ? 0.762 3.496 25.944 1.00 33.67 ? 240 LYS A N 1 ATOM 965 C CA . LYS A 1 124 ? -0.319 4.464 25.756 1.00 41.84 ? 240 LYS A CA 1 ATOM 966 C C . LYS A 1 124 ? -0.578 5.326 26.995 1.00 43.55 ? 240 LYS A C 1 ATOM 967 O O . LYS A 1 124 ? -0.977 6.485 26.880 1.00 50.31 ? 240 LYS A O 1 ATOM 968 C CB . LYS A 1 124 ? -1.605 3.755 25.318 1.00 39.06 ? 240 LYS A CB 1 ATOM 969 C CG . LYS A 1 124 ? -1.413 2.788 24.158 1.00 61.49 ? 240 LYS A CG 1 ATOM 970 C CD . LYS A 1 124 ? -0.856 3.481 22.923 1.00 68.71 ? 240 LYS A CD 1 ATOM 971 C CE . LYS A 1 124 ? -1.861 4.451 22.323 1.00 68.29 ? 240 LYS A CE 1 ATOM 972 N NZ . LYS A 1 124 ? -1.361 5.045 21.051 1.00 62.51 ? 240 LYS A NZ 1 ATOM 973 N N . ASN A 1 125 ? -0.351 4.759 28.176 1.00 31.33 ? 241 ASN A N 1 ATOM 974 C CA . ASN A 1 125 ? -0.511 5.504 29.420 1.00 27.15 ? 241 ASN A CA 1 ATOM 975 C C . ASN A 1 125 ? 0.843 5.857 30.023 1.00 31.95 ? 241 ASN A C 1 ATOM 976 O O . ASN A 1 125 ? 1.423 5.067 30.764 1.00 32.01 ? 241 ASN A O 1 ATOM 977 C CB . ASN A 1 125 ? -1.343 4.708 30.428 1.00 35.48 ? 241 ASN A CB 1 ATOM 978 C CG . ASN A 1 125 ? -2.745 4.420 29.930 1.00 46.13 ? 241 ASN A CG 1 ATOM 979 O OD1 . ASN A 1 125 ? -3.316 5.196 29.162 1.00 45.12 ? 241 ASN A OD1 1 ATOM 980 N ND2 . ASN A 1 125 ? -3.308 3.296 30.366 1.00 66.91 ? 241 ASN A ND2 1 ATOM 981 N N . VAL A 1 126 ? 1.341 7.046 29.701 1.00 25.30 ? 242 VAL A N 1 ATOM 982 C CA . VAL A 1 126 ? 2.676 7.456 30.122 1.00 25.75 ? 242 VAL A CA 1 ATOM 983 C C . VAL A 1 126 ? 2.622 8.635 31.088 1.00 29.61 ? 242 VAL A C 1 ATOM 984 O O . VAL A 1 126 ? 1.819 9.553 30.918 1.00 31.40 ? 242 VAL A O 1 ATOM 985 C CB . VAL A 1 126 ? 3.545 7.840 28.906 1.00 33.10 ? 242 VAL A CB 1 ATOM 986 C CG1 . VAL A 1 126 ? 4.987 8.081 29.329 1.00 28.10 ? 242 VAL A CG1 1 ATOM 987 C CG2 . VAL A 1 126 ? 3.475 6.756 27.843 1.00 35.88 ? 242 VAL A CG2 1 ATOM 988 N N . SER A 1 127 ? 3.475 8.601 32.107 1.00 28.08 ? 243 SER A N 1 ATOM 989 C CA . SER A 1 127 ? 3.602 9.716 33.035 1.00 28.64 ? 243 SER A CA 1 ATOM 990 C C . SER A 1 127 ? 5.059 10.158 33.127 1.00 23.89 ? 243 SER A C 1 ATOM 991 O O . SER A 1 127 ? 5.963 9.424 32.729 1.00 25.89 ? 243 SER A O 1 ATOM 992 C CB . SER A 1 127 ? 3.073 9.334 34.419 1.00 27.21 ? 243 SER A CB 1 ATOM 993 O OG . SER A 1 127 ? 3.804 8.251 34.967 1.00 28.97 ? 243 SER A OG 1 ATOM 994 N N . SER A 1 128 ? 5.281 11.364 33.639 1.00 25.52 ? 244 SER A N 1 ATOM 995 C CA . SER A 1 128 ? 6.636 11.864 33.841 1.00 25.54 ? 244 SER A CA 1 ATOM 996 C C . SER A 1 128 ? 6.931 12.011 35.328 1.00 26.15 ? 244 SER A C 1 ATOM 997 O O . SER A 1 128 ? 6.133 12.578 36.074 1.00 30.05 ? 244 SER A O 1 ATOM 998 C CB . SER A 1 128 ? 6.836 13.205 33.131 1.00 30.34 ? 244 SER A CB 1 ATOM 999 O OG . SER A 1 128 ? 6.004 14.207 33.688 1.00 44.64 ? 244 SER A OG 1 ATOM 1000 N N . VAL A 1 129 ? 8.079 11.491 35.751 1.00 24.56 ? 245 VAL A N 1 ATOM 1001 C CA . VAL A 1 129 ? 8.490 11.554 37.149 1.00 27.86 ? 245 VAL A CA 1 ATOM 1002 C C . VAL A 1 129 ? 9.939 12.015 37.253 1.00 27.75 ? 245 VAL A C 1 ATOM 1003 O O . VAL A 1 129 ? 10.678 11.987 36.269 1.00 25.03 ? 245 VAL A O 1 ATOM 1004 C CB . VAL A 1 129 ? 8.350 10.183 37.846 1.00 25.25 ? 245 VAL A CB 1 ATOM 1005 C CG1 . VAL A 1 129 ? 6.895 9.739 37.870 1.00 28.70 ? 245 VAL A CG1 1 ATOM 1006 C CG2 . VAL A 1 129 ? 9.221 9.139 37.156 1.00 25.16 ? 245 VAL A CG2 1 ATOM 1007 N N . GLN A 1 130 ? 10.343 12.437 38.446 1.00 21.58 ? 246 GLN A N 1 ATOM 1008 C CA . GLN A 1 130 ? 11.718 12.870 38.669 1.00 23.91 ? 246 GLN A CA 1 ATOM 1009 C C . GLN A 1 130 ? 12.585 11.723 39.178 1.00 25.90 ? 246 GLN A C 1 ATOM 1010 O O . GLN A 1 130 ? 13.806 11.744 39.029 1.00 24.90 ? 246 GLN A O 1 ATOM 1011 C CB . GLN A 1 130 ? 11.765 14.038 39.655 1.00 25.43 ? 246 GLN A CB 1 ATOM 1012 C CG . GLN A 1 130 ? 10.810 15.167 39.321 1.00 47.70 ? 246 GLN A CG 1 ATOM 1013 C CD . GLN A 1 130 ? 11.040 15.749 37.942 1.00 58.19 ? 246 GLN A CD 1 ATOM 1014 O OE1 . GLN A 1 130 ? 12.148 16.171 37.609 1.00 67.94 ? 246 GLN A OE1 1 ATOM 1015 N NE2 . GLN A 1 130 ? 9.991 15.773 37.129 1.00 58.05 ? 246 GLN A NE2 1 ATOM 1016 N N . CYS A 1 131 ? 11.947 10.724 39.780 1.00 24.34 ? 247 CYS A N 1 ATOM 1017 C CA . CYS A 1 131 ? 12.662 9.575 40.325 1.00 24.95 ? 247 CYS A CA 1 ATOM 1018 C C . CYS A 1 131 ? 11.873 8.285 40.131 1.00 23.10 ? 247 CYS A C 1 ATOM 1019 O O . CYS A 1 131 ? 10.644 8.301 40.081 1.00 23.25 ? 247 CYS A O 1 ATOM 1020 C CB . CYS A 1 131 ? 12.947 9.777 41.817 1.00 32.22 ? 247 CYS A CB 1 ATOM 1021 S SG . CYS A 1 131 ? 14.125 11.095 42.211 1.00 38.86 ? 247 CYS A SG 1 ATOM 1022 N N . THR A 1 132 ? 12.585 7.167 40.028 1.00 20.93 ? 248 THR A N 1 ATOM 1023 C CA . THR A 1 132 ? 11.944 5.859 39.985 1.00 17.71 ? 248 THR A CA 1 ATOM 1024 C C . THR A 1 132 ? 11.401 5.523 41.368 1.00 18.81 ? 248 THR A C 1 ATOM 1025 O O . THR A 1 132 ? 11.626 6.261 42.328 1.00 19.47 ? 248 THR A O 1 ATOM 1026 C CB . THR A 1 132 ? 12.934 4.750 39.579 1.00 20.85 ? 248 THR A CB 1 ATOM 1027 O OG1 . THR A 1 132 ? 13.918 4.580 40.609 1.00 18.08 ? 248 THR A OG1 1 ATOM 1028 C CG2 . THR A 1 132 ? 13.627 5.095 38.270 1.00 22.73 ? 248 THR A CG2 1 ATOM 1029 N N . HIS A 1 133 ? 10.690 4.405 41.472 1.00 23.24 ? 249 HIS A N 1 ATOM 1030 C CA . HIS A 1 133 ? 10.289 3.898 42.777 1.00 24.74 ? 249 HIS A CA 1 ATOM 1031 C C . HIS A 1 133 ? 11.517 3.314 43.467 1.00 16.04 ? 249 HIS A C 1 ATOM 1032 O O . HIS A 1 133 ? 12.579 3.194 42.855 1.00 17.99 ? 249 HIS A O 1 ATOM 1033 C CB . HIS A 1 133 ? 9.194 2.837 42.640 1.00 20.78 ? 249 HIS A CB 1 ATOM 1034 C CG . HIS A 1 133 ? 9.658 1.567 41.998 1.00 19.97 ? 249 HIS A CG 1 ATOM 1035 N ND1 . HIS A 1 133 ? 9.823 1.437 40.636 1.00 25.02 ? 249 HIS A ND1 1 ATOM 1036 C CD2 . HIS A 1 133 ? 9.992 0.368 42.533 1.00 23.33 ? 249 HIS A CD2 1 ATOM 1037 C CE1 . HIS A 1 133 ? 10.239 0.214 40.359 1.00 29.86 ? 249 HIS A CE1 1 ATOM 1038 N NE2 . HIS A 1 133 ? 10.351 -0.455 41.493 1.00 28.29 ? 249 HIS A NE2 1 ATOM 1039 N N . GLY A 1 134 ? 11.374 2.959 44.739 1.00 21.89 ? 250 GLY A N 1 ATOM 1040 C CA . GLY A 1 134 ? 12.480 2.402 45.497 1.00 22.01 ? 250 GLY A CA 1 ATOM 1041 C C . GLY A 1 134 ? 12.788 0.974 45.092 1.00 16.75 ? 250 GLY A C 1 ATOM 1042 O O . GLY A 1 134 ? 11.957 0.081 45.250 1.00 22.19 ? 250 GLY A O 1 ATOM 1043 N N . ILE A 1 135 ? 13.990 0.759 44.568 1.00 17.68 ? 251 ILE A N 1 ATOM 1044 C CA . ILE A 1 135 ? 14.393 -0.559 44.097 1.00 17.09 ? 251 ILE A CA 1 ATOM 1045 C C . ILE A 1 135 ? 15.486 -1.157 44.977 1.00 19.69 ? 251 ILE A C 1 ATOM 1046 O O . ILE A 1 135 ? 16.559 -0.574 45.127 1.00 21.36 ? 251 ILE A O 1 ATOM 1047 C CB . ILE A 1 135 ? 14.903 -0.495 42.647 1.00 17.86 ? 251 ILE A CB 1 ATOM 1048 C CG1 . ILE A 1 135 ? 13.830 0.105 41.734 1.00 19.16 ? 251 ILE A CG1 1 ATOM 1049 C CG2 . ILE A 1 135 ? 15.319 -1.876 42.166 1.00 20.93 ? 251 ILE A CG2 1 ATOM 1050 C CD1 . ILE A 1 135 ? 14.274 0.278 40.299 1.00 23.22 ? 251 ILE A CD1 1 ATOM 1051 N N . LYS A 1 136 ? 15.207 -2.317 45.563 1.00 18.53 ? 252 LYS A N 1 ATOM 1052 C CA . LYS A 1 136 ? 16.210 -3.036 46.340 1.00 20.29 ? 252 LYS A CA 1 ATOM 1053 C C . LYS A 1 136 ? 17.173 -3.761 45.409 1.00 20.35 ? 252 LYS A C 1 ATOM 1054 O O . LYS A 1 136 ? 16.744 -4.527 44.545 1.00 19.96 ? 252 LYS A O 1 ATOM 1055 C CB . LYS A 1 136 ? 15.549 -4.047 47.280 1.00 25.76 ? 252 LYS A CB 1 ATOM 1056 C CG . LYS A 1 136 ? 14.805 -3.434 48.454 1.00 24.97 ? 252 LYS A CG 1 ATOM 1057 C CD . LYS A 1 136 ? 14.289 -4.518 49.390 1.00 25.66 ? 252 LYS A CD 1 ATOM 1058 C CE . LYS A 1 136 ? 13.674 -3.925 50.646 1.00 38.13 ? 252 LYS A CE 1 ATOM 1059 N NZ . LYS A 1 136 ? 13.267 -4.981 51.615 1.00 36.74 ? 252 LYS A NZ 1 ATOM 1060 N N . PRO A 1 137 ? 18.481 -3.524 45.581 1.00 20.74 ? 253 PRO A N 1 ATOM 1061 C CA . PRO A 1 137 ? 19.492 -4.181 44.746 1.00 18.26 ? 253 PRO A CA 1 ATOM 1062 C C . PRO A 1 137 ? 19.741 -5.630 45.166 1.00 21.14 ? 253 PRO A C 1 ATOM 1063 O O . PRO A 1 137 ? 20.835 -5.962 45.623 1.00 20.42 ? 253 PRO A O 1 ATOM 1064 C CB . PRO A 1 137 ? 20.742 -3.337 44.993 1.00 23.20 ? 253 PRO A CB 1 ATOM 1065 C CG . PRO A 1 137 ? 20.556 -2.799 46.371 1.00 26.06 ? 253 PRO A CG 1 ATOM 1066 C CD . PRO A 1 137 ? 19.079 -2.563 46.525 1.00 20.52 ? 253 PRO A CD 1 ATOM 1067 N N . VAL A 1 138 ? 18.735 -6.484 45.006 1.00 18.00 ? 254 VAL A N 1 ATOM 1068 C CA . VAL A 1 138 ? 18.863 -7.883 45.400 1.00 16.51 ? 254 VAL A CA 1 ATOM 1069 C C . VAL A 1 138 ? 19.559 -8.695 44.314 1.00 19.00 ? 254 VAL A C 1 ATOM 1070 O O . VAL A 1 138 ? 19.048 -8.830 43.204 1.00 21.63 ? 254 VAL A O 1 ATOM 1071 C CB . VAL A 1 138 ? 17.491 -8.516 45.698 1.00 22.06 ? 254 VAL A CB 1 ATOM 1072 C CG1 . VAL A 1 138 ? 17.669 -9.921 46.260 1.00 24.80 ? 254 VAL A CG1 1 ATOM 1073 C CG2 . VAL A 1 138 ? 16.704 -7.644 46.665 1.00 24.64 ? 254 VAL A CG2 1 ATOM 1074 N N . VAL A 1 139 ? 20.729 -9.234 44.644 1.00 16.54 ? 255 VAL A N 1 ATOM 1075 C CA . VAL A 1 139 ? 21.499 -10.037 43.703 1.00 15.48 ? 255 VAL A CA 1 ATOM 1076 C C . VAL A 1 139 ? 21.164 -11.513 43.866 1.00 19.97 ? 255 VAL A C 1 ATOM 1077 O O . VAL A 1 139 ? 21.417 -12.104 44.916 1.00 20.12 ? 255 VAL A O 1 ATOM 1078 C CB . VAL A 1 139 ? 23.015 -9.834 43.895 1.00 20.31 ? 255 VAL A CB 1 ATOM 1079 C CG1 . VAL A 1 139 ? 23.795 -10.678 42.898 1.00 17.59 ? 255 VAL A CG1 1 ATOM 1080 C CG2 . VAL A 1 139 ? 23.376 -8.364 43.752 1.00 24.14 ? 255 VAL A CG2 1 ATOM 1081 N N . SER A 1 140 ? 20.588 -12.108 42.827 1.00 17.86 ? 256 SER A N 1 ATOM 1082 C CA . SER A 1 140 ? 20.214 -13.515 42.885 1.00 15.82 ? 256 SER A CA 1 ATOM 1083 C C . SER A 1 140 ? 20.212 -14.167 41.511 1.00 18.29 ? 256 SER A C 1 ATOM 1084 O O . SER A 1 140 ? 20.313 -13.493 40.485 1.00 15.25 ? 256 SER A O 1 ATOM 1085 C CB . SER A 1 140 ? 18.833 -13.677 43.524 1.00 14.67 ? 256 SER A CB 1 ATOM 1086 O OG . SER A 1 140 ? 17.825 -13.089 42.717 1.00 22.86 ? 256 SER A OG 1 ATOM 1087 N N . THR A 1 141 ? 20.106 -15.491 41.504 1.00 19.03 ? 257 THR A N 1 ATOM 1088 C CA . THR A 1 141 ? 19.918 -16.229 40.264 1.00 20.85 ? 257 THR A CA 1 ATOM 1089 C C . THR A 1 141 ? 18.661 -17.091 40.325 1.00 22.02 ? 257 THR A C 1 ATOM 1090 O O . THR A 1 141 ? 18.157 -17.388 41.409 1.00 18.25 ? 257 THR A O 1 ATOM 1091 C CB . THR A 1 141 ? 21.138 -17.101 39.907 1.00 21.54 ? 257 THR A CB 1 ATOM 1092 O OG1 . THR A 1 141 ? 21.321 -18.116 40.903 1.00 19.88 ? 257 THR A OG1 1 ATOM 1093 C CG2 . THR A 1 141 ? 22.396 -16.250 39.803 1.00 24.05 ? 257 THR A CG2 1 ATOM 1094 N N . GLN A 1 142 ? 18.164 -17.476 39.151 1.00 19.11 ? 258 GLN A N 1 ATOM 1095 C CA . GLN A 1 142 ? 16.950 -18.288 39.010 1.00 20.05 ? 258 GLN A CA 1 ATOM 1096 C C . GLN A 1 142 ? 15.664 -17.600 39.477 1.00 22.79 ? 258 GLN A C 1 ATOM 1097 O O . GLN A 1 142 ? 14.715 -17.459 38.704 1.00 20.79 ? 258 GLN A O 1 ATOM 1098 C CB . GLN A 1 142 ? 17.104 -19.652 39.693 1.00 18.00 ? 258 GLN A CB 1 ATOM 1099 C CG . GLN A 1 142 ? 18.157 -20.546 39.067 1.00 16.09 ? 258 GLN A CG 1 ATOM 1100 C CD . GLN A 1 142 ? 18.005 -21.991 39.489 1.00 19.60 ? 258 GLN A CD 1 ATOM 1101 O OE1 . GLN A 1 142 ? 17.087 -22.338 40.232 1.00 21.98 ? 258 GLN A OE1 1 ATOM 1102 N NE2 . GLN A 1 142 ? 18.903 -22.846 39.012 1.00 20.83 ? 258 GLN A NE2 1 ATOM 1103 N N . LEU A 1 143 ? 15.628 -17.190 40.740 1.00 16.95 ? 259 LEU A N 1 ATOM 1104 C CA . LEU A 1 143 ? 14.444 -16.551 41.305 1.00 18.21 ? 259 LEU A CA 1 ATOM 1105 C C . LEU A 1 143 ? 14.712 -15.089 41.642 1.00 19.43 ? 259 LEU A C 1 ATOM 1106 O O . LEU A 1 143 ? 15.733 -14.759 42.245 1.00 22.43 ? 259 LEU A O 1 ATOM 1107 C CB . LEU A 1 143 ? 13.985 -17.290 42.566 1.00 15.80 ? 259 LEU A CB 1 ATOM 1108 C CG . LEU A 1 143 ? 13.707 -18.789 42.443 1.00 21.87 ? 259 LEU A CG 1 ATOM 1109 C CD1 . LEU A 1 143 ? 13.382 -19.385 43.805 1.00 22.30 ? 259 LEU A CD1 1 ATOM 1110 C CD2 . LEU A 1 143 ? 12.577 -19.050 41.458 1.00 21.44 ? 259 LEU A CD2 1 ATOM 1111 N N . LEU A 1 144 ? 13.792 -14.216 41.245 1.00 19.97 ? 260 LEU A N 1 ATOM 1112 C CA . LEU A 1 144 ? 13.876 -12.804 41.597 1.00 17.70 ? 260 LEU A CA 1 ATOM 1113 C C . LEU A 1 144 ? 13.173 -12.577 42.928 1.00 21.40 ? 260 LEU A C 1 ATOM 1114 O O . LEU A 1 144 ? 12.011 -12.950 43.090 1.00 19.85 ? 260 LEU A O 1 ATOM 1115 C CB . LEU A 1 144 ? 13.246 -11.942 40.502 1.00 20.40 ? 260 LEU A CB 1 ATOM 1116 C CG . LEU A 1 144 ? 13.916 -12.054 39.132 1.00 22.70 ? 260 LEU A CG 1 ATOM 1117 C CD1 . LEU A 1 144 ? 13.176 -11.218 38.102 1.00 24.02 ? 260 LEU A CD1 1 ATOM 1118 C CD2 . LEU A 1 144 ? 15.376 -11.639 39.217 1.00 22.80 ? 260 LEU A CD2 1 ATOM 1119 N N . LEU A 1 145 ? 13.881 -11.968 43.877 1.00 19.48 ? 261 LEU A N 1 ATOM 1120 C CA . LEU A 1 145 ? 13.389 -11.848 45.248 1.00 23.41 ? 261 LEU A CA 1 ATOM 1121 C C . LEU A 1 145 ? 13.125 -10.406 45.678 1.00 22.73 ? 261 LEU A C 1 ATOM 1122 O O . LEU A 1 145 ? 13.847 -9.488 45.285 1.00 18.95 ? 261 LEU A O 1 ATOM 1123 C CB . LEU A 1 145 ? 14.389 -12.482 46.221 1.00 21.10 ? 261 LEU A CB 1 ATOM 1124 C CG . LEU A 1 145 ? 14.887 -13.895 45.911 1.00 27.02 ? 261 LEU A CG 1 ATOM 1125 C CD1 . LEU A 1 145 ? 15.940 -14.323 46.927 1.00 19.75 ? 261 LEU A CD1 1 ATOM 1126 C CD2 . LEU A 1 145 ? 13.731 -14.882 45.881 1.00 29.71 ? 261 LEU A CD2 1 ATOM 1127 N N . ASN A 1 146 ? 12.093 -10.227 46.501 1.00 20.91 ? 262 ASN A N 1 ATOM 1128 C CA . ASN A 1 146 ? 11.769 -8.937 47.114 1.00 20.56 ? 262 ASN A CA 1 ATOM 1129 C C . ASN A 1 146 ? 11.549 -7.800 46.119 1.00 31.89 ? 262 ASN A C 1 ATOM 1130 O O . ASN A 1 146 ? 11.809 -6.637 46.430 1.00 25.39 ? 262 ASN A O 1 ATOM 1131 C CB . ASN A 1 146 ? 12.839 -8.530 48.138 1.00 21.70 ? 262 ASN A CB 1 ATOM 1132 C CG . ASN A 1 146 ? 12.869 -9.441 49.354 1.00 26.68 ? 262 ASN A CG 1 ATOM 1133 O OD1 . ASN A 1 146 ? 11.924 -10.188 49.609 1.00 22.99 ? 262 ASN A OD1 1 ATOM 1134 N ND2 . ASN A 1 146 ? 13.965 -9.378 50.114 1.00 22.27 ? 262 ASN A ND2 1 ATOM 1135 N N . GLY A 1 147 ? 11.069 -8.134 44.927 1.00 29.29 ? 263 GLY A N 1 ATOM 1136 C CA . GLY A 1 147 ? 10.820 -7.129 43.911 1.00 21.79 ? 263 GLY A CA 1 ATOM 1137 C C . GLY A 1 147 ? 9.379 -6.659 43.904 1.00 26.94 ? 263 GLY A C 1 ATOM 1138 O O . GLY A 1 147 ? 8.613 -6.950 44.824 1.00 24.72 ? 263 GLY A O 1 ATOM 1139 N N . SER A 1 148 ? 9.009 -5.920 42.865 1.00 21.99 ? 264 SER A N 1 ATOM 1140 C CA . SER A 1 148 ? 7.629 -5.488 42.691 1.00 25.86 ? 264 SER A CA 1 ATOM 1141 C C . SER A 1 148 ? 6.859 -6.550 41.915 1.00 22.09 ? 264 SER A C 1 ATOM 1142 O O . SER A 1 148 ? 7.453 -7.351 41.195 1.00 24.46 ? 264 SER A O 1 ATOM 1143 C CB . SER A 1 148 ? 7.576 -4.152 41.949 1.00 34.36 ? 264 SER A CB 1 ATOM 1144 O OG . SER A 1 148 ? 8.294 -3.152 42.650 1.00 50.76 ? 264 SER A OG 1 ATOM 1145 N N . LEU A 1 149 ? 5.539 -6.557 42.070 1.00 28.55 ? 265 LEU A N 1 ATOM 1146 C CA . LEU A 1 149 ? 4.693 -7.521 41.374 1.00 27.72 ? 265 LEU A CA 1 ATOM 1147 C C . LEU A 1 149 ? 3.918 -6.868 40.238 1.00 27.97 ? 265 LEU A C 1 ATOM 1148 O O . LEU A 1 149 ? 3.603 -5.680 40.293 1.00 26.70 ? 265 LEU A O 1 ATOM 1149 C CB . LEU A 1 149 ? 3.711 -8.173 42.351 1.00 33.01 ? 265 LEU A CB 1 ATOM 1150 C CG . LEU A 1 149 ? 4.290 -9.126 43.397 1.00 32.09 ? 265 LEU A CG 1 ATOM 1151 C CD1 . LEU A 1 149 ? 3.238 -9.470 44.438 1.00 35.64 ? 265 LEU A CD1 1 ATOM 1152 C CD2 . LEU A 1 149 ? 4.815 -10.388 42.730 1.00 24.89 ? 265 LEU A CD2 1 ATOM 1153 N N . ALA A 1 150 ? 3.616 -7.652 39.208 1.00 24.37 ? 266 ALA A N 1 ATOM 1154 C CA . ALA A 1 150 ? 2.741 -7.198 38.136 1.00 28.88 ? 266 ALA A CA 1 ATOM 1155 C C . ALA A 1 150 ? 1.351 -6.962 38.714 1.00 29.41 ? 266 ALA A C 1 ATOM 1156 O O . ALA A 1 150 ? 0.868 -7.754 39.522 1.00 36.44 ? 266 ALA A O 1 ATOM 1157 C CB . ALA A 1 150 ? 2.691 -8.228 37.021 1.00 22.97 ? 266 ALA A CB 1 ATOM 1158 N N . GLU A 1 151 ? 0.709 -5.872 38.306 1.00 25.85 ? 267 GLU A N 1 ATOM 1159 C CA . GLU A 1 151 ? -0.555 -5.474 38.918 1.00 28.04 ? 267 GLU A CA 1 ATOM 1160 C C . GLU A 1 151 ? -1.764 -6.277 38.437 1.00 36.98 ? 267 GLU A C 1 ATOM 1161 O O . GLU A 1 151 ? -2.696 -6.513 39.206 1.00 32.78 ? 267 GLU A O 1 ATOM 1162 C CB . GLU A 1 151 ? -0.796 -3.973 38.741 1.00 32.25 ? 267 GLU A CB 1 ATOM 1163 C CG . GLU A 1 151 ? 0.234 -3.106 39.450 1.00 41.19 ? 267 GLU A CG 1 ATOM 1164 C CD . GLU A 1 151 ? -0.159 -1.643 39.493 1.00 59.85 ? 267 GLU A CD 1 ATOM 1165 O OE1 . GLU A 1 151 ? 0.747 -0.783 39.457 1.00 66.96 ? 267 GLU A OE1 1 ATOM 1166 O OE2 . GLU A 1 151 ? -1.371 -1.351 39.571 1.00 64.53 ? 267 GLU A OE2 1 ATOM 1167 N N . GLU A 1 152 ? -1.752 -6.696 37.175 1.00 30.60 ? 268 GLU A N 1 ATOM 1168 C CA . GLU A 1 152 ? -2.869 -7.468 36.632 1.00 28.85 ? 268 GLU A CA 1 ATOM 1169 C C . GLU A 1 152 ? -2.482 -8.920 36.364 1.00 27.61 ? 268 GLU A C 1 ATOM 1170 O O . GLU A 1 152 ? -2.502 -9.750 37.271 1.00 30.86 ? 268 GLU A O 1 ATOM 1171 C CB . GLU A 1 152 ? -3.423 -6.818 35.361 1.00 36.37 ? 268 GLU A CB 1 ATOM 1172 C CG . GLU A 1 152 ? -4.785 -7.359 34.937 1.00 53.98 ? 268 GLU A CG 1 ATOM 1173 C CD . GLU A 1 152 ? -5.434 -6.533 33.844 1.00 69.80 ? 268 GLU A CD 1 ATOM 1174 O OE1 . GLU A 1 152 ? -5.231 -6.852 32.654 1.00 75.24 ? 268 GLU A OE1 1 ATOM 1175 O OE2 . GLU A 1 152 ? -6.154 -5.568 34.176 1.00 74.60 ? 268 GLU A OE2 1 ATOM 1176 N N . GLU A 1 153 ? -2.134 -9.223 35.117 1.00 24.57 ? 269 GLU A N 1 ATOM 1177 C CA . GLU A 1 153 ? -1.759 -10.581 34.744 1.00 20.26 ? 269 GLU A CA 1 ATOM 1178 C C . GLU A 1 153 ? -0.253 -10.789 34.837 1.00 25.55 ? 269 GLU A C 1 ATOM 1179 O O . GLU A 1 153 ? 0.517 -9.828 34.850 1.00 27.73 ? 269 GLU A O 1 ATOM 1180 C CB . GLU A 1 153 ? -2.232 -10.906 33.325 1.00 28.08 ? 269 GLU A CB 1 ATOM 1181 C CG . GLU A 1 153 ? -3.737 -10.824 33.128 1.00 35.50 ? 269 GLU A CG 1 ATOM 1182 C CD . GLU A 1 153 ? -4.179 -11.395 31.793 1.00 55.15 ? 269 GLU A CD 1 ATOM 1183 O OE1 . GLU A 1 153 ? -4.874 -10.682 31.038 1.00 62.78 ? 269 GLU A OE1 1 ATOM 1184 O OE2 . GLU A 1 153 ? -3.833 -12.559 31.499 1.00 49.55 ? 269 GLU A OE2 1 ATOM 1185 N N . ILE A 1 154 ? 0.155 -12.052 34.909 1.00 27.97 ? 270 ILE A N 1 ATOM 1186 C CA . ILE A 1 154 ? 1.563 -12.415 34.829 1.00 23.35 ? 270 ILE A CA 1 ATOM 1187 C C . ILE A 1 154 ? 2.116 -11.918 33.498 1.00 22.78 ? 270 ILE A C 1 ATOM 1188 O O . ILE A 1 154 ? 1.448 -12.016 32.468 1.00 24.32 ? 270 ILE A O 1 ATOM 1189 C CB . ILE A 1 154 ? 1.750 -13.943 34.950 1.00 23.41 ? 270 ILE A CB 1 ATOM 1190 C CG1 . ILE A 1 154 ? 1.305 -14.423 36.334 1.00 27.53 ? 270 ILE A CG1 1 ATOM 1191 C CG2 . ILE A 1 154 ? 3.196 -14.343 34.694 1.00 19.80 ? 270 ILE A CG2 1 ATOM 1192 C CD1 . ILE A 1 154 ? 1.379 -15.924 36.515 1.00 32.55 ? 270 ILE A CD1 1 ATOM 1193 N N . ILE A 1 155 ? 3.323 -11.361 33.525 1.00 23.59 ? 271 ILE A N 1 ATOM 1194 C CA . ILE A 1 155 ? 3.930 -10.800 32.324 1.00 27.66 ? 271 ILE A CA 1 ATOM 1195 C C . ILE A 1 155 ? 5.161 -11.595 31.899 1.00 27.43 ? 271 ILE A C 1 ATOM 1196 O O . ILE A 1 155 ? 5.999 -11.954 32.726 1.00 22.57 ? 271 ILE A O 1 ATOM 1197 C CB . ILE A 1 155 ? 4.327 -9.323 32.529 1.00 21.87 ? 271 ILE A CB 1 ATOM 1198 C CG1 . ILE A 1 155 ? 3.153 -8.524 33.099 1.00 26.98 ? 271 ILE A CG1 1 ATOM 1199 C CG2 . ILE A 1 155 ? 4.812 -8.708 31.222 1.00 19.69 ? 271 ILE A CG2 1 ATOM 1200 C CD1 . ILE A 1 155 ? 1.966 -8.430 32.166 1.00 23.37 ? 271 ILE A CD1 1 ATOM 1201 N N . ILE A 1 156 ? 5.257 -11.872 30.603 1.00 21.58 ? 272 ILE A N 1 ATOM 1202 C CA . ILE A 1 156 ? 6.423 -12.538 30.041 1.00 20.51 ? 272 ILE A CA 1 ATOM 1203 C C . ILE A 1 156 ? 7.288 -11.515 29.315 1.00 22.19 ? 272 ILE A C 1 ATOM 1204 O O . ILE A 1 156 ? 6.811 -10.815 28.422 1.00 23.41 ? 272 ILE A O 1 ATOM 1205 C CB . ILE A 1 156 ? 6.009 -13.646 29.053 1.00 24.97 ? 272 ILE A CB 1 ATOM 1206 C CG1 . ILE A 1 156 ? 5.096 -14.662 29.745 1.00 23.29 ? 272 ILE A CG1 1 ATOM 1207 C CG2 . ILE A 1 156 ? 7.235 -14.326 28.463 1.00 21.24 ? 272 ILE A CG2 1 ATOM 1208 C CD1 . ILE A 1 156 ? 5.701 -15.286 30.983 1.00 23.87 ? 272 ILE A CD1 1 ATOM 1209 N N . ARG A 1 157 ? 8.558 -11.425 29.701 1.00 15.28 ? 273 ARG A N 1 ATOM 1210 C CA . ARG A 1 157 ? 9.466 -10.455 29.102 1.00 16.22 ? 273 ARG A CA 1 ATOM 1211 C C . ARG A 1 157 ? 10.652 -11.129 28.419 1.00 18.88 ? 273 ARG A C 1 ATOM 1212 O O . ARG A 1 157 ? 11.298 -12.004 28.996 1.00 24.91 ? 273 ARG A O 1 ATOM 1213 C CB . ARG A 1 157 ? 9.971 -9.469 30.161 1.00 20.82 ? 273 ARG A CB 1 ATOM 1214 C CG . ARG A 1 157 ? 8.887 -8.954 31.090 1.00 18.77 ? 273 ARG A CG 1 ATOM 1215 C CD . ARG A 1 157 ? 9.410 -7.863 32.016 1.00 18.91 ? 273 ARG A CD 1 ATOM 1216 N NE . ARG A 1 157 ? 8.400 -7.456 32.988 1.00 23.52 ? 273 ARG A NE 1 ATOM 1217 C CZ . ARG A 1 157 ? 7.397 -6.625 32.723 1.00 27.22 ? 273 ARG A CZ 1 ATOM 1218 N NH1 . ARG A 1 157 ? 7.260 -6.109 31.509 1.00 20.20 ? 273 ARG A NH1 1 ATOM 1219 N NH2 . ARG A 1 157 ? 6.524 -6.316 33.671 1.00 19.03 ? 273 ARG A NH2 1 ATOM 1220 N N . SER A 1 158 ? 10.929 -10.711 27.187 1.00 20.32 ? 274 SER A N 1 ATOM 1221 C CA . SER A 1 158 ? 12.087 -11.194 26.442 1.00 20.56 ? 274 SER A CA 1 ATOM 1222 C C . SER A 1 158 ? 12.425 -10.237 25.306 1.00 21.95 ? 274 SER A C 1 ATOM 1223 O O . SER A 1 158 ? 11.534 -9.640 24.702 1.00 22.64 ? 274 SER A O 1 ATOM 1224 C CB . SER A 1 158 ? 11.834 -12.595 25.884 1.00 25.57 ? 274 SER A CB 1 ATOM 1225 O OG . SER A 1 158 ? 12.921 -13.023 25.082 1.00 23.06 ? 274 SER A OG 1 ATOM 1226 N N . GLU A 1 159 ? 13.715 -10.091 25.021 1.00 20.95 ? 275 GLU A N 1 ATOM 1227 C CA . GLU A 1 159 ? 14.160 -9.245 23.923 1.00 23.90 ? 275 GLU A CA 1 ATOM 1228 C C . GLU A 1 159 ? 13.737 -9.861 22.593 1.00 22.49 ? 275 GLU A C 1 ATOM 1229 O O . GLU A 1 159 ? 13.496 -9.154 21.614 1.00 23.41 ? 275 GLU A O 1 ATOM 1230 C CB . GLU A 1 159 ? 15.679 -9.060 23.968 1.00 21.24 ? 275 GLU A CB 1 ATOM 1231 C CG . GLU A 1 159 ? 16.208 -8.030 22.979 1.00 22.92 ? 275 GLU A CG 1 ATOM 1232 C CD . GLU A 1 159 ? 17.700 -7.790 23.122 1.00 34.74 ? 275 GLU A CD 1 ATOM 1233 O OE1 . GLU A 1 159 ? 18.373 -8.594 23.801 1.00 40.09 ? 275 GLU A OE1 1 ATOM 1234 O OE2 . GLU A 1 159 ? 18.199 -6.795 22.558 1.00 41.36 ? 275 GLU A OE2 1 ATOM 1235 N N . ASN A 1 160 ? 13.639 -11.186 22.578 1.00 21.85 ? 276 ASN A N 1 ATOM 1236 C CA . ASN A 1 160 ? 13.218 -11.928 21.396 1.00 22.77 ? 276 ASN A CA 1 ATOM 1237 C C . ASN A 1 160 ? 12.863 -13.355 21.795 1.00 22.45 ? 276 ASN A C 1 ATOM 1238 O O . ASN A 1 160 ? 13.744 -14.203 21.934 1.00 23.63 ? 276 ASN A O 1 ATOM 1239 C CB . ASN A 1 160 ? 14.337 -11.933 20.351 1.00 20.04 ? 276 ASN A CB 1 ATOM 1240 C CG . ASN A 1 160 ? 13.887 -12.479 19.005 1.00 21.75 ? 276 ASN A CG 1 ATOM 1241 O OD1 . ASN A 1 160 ? 12.828 -13.097 18.890 1.00 24.93 ? 276 ASN A OD1 1 ATOM 1242 N ND2 . ASN A 1 160 ? 14.701 -12.250 17.978 1.00 27.80 ? 276 ASN A ND2 1 ATOM 1243 N N . LEU A 1 161 ? 11.572 -13.615 21.985 1.00 21.89 ? 277 LEU A N 1 ATOM 1244 C CA . LEU A 1 161 ? 11.109 -14.929 22.429 1.00 27.49 ? 277 LEU A CA 1 ATOM 1245 C C . LEU A 1 161 ? 11.485 -16.050 21.462 1.00 23.57 ? 277 LEU A C 1 ATOM 1246 O O . LEU A 1 161 ? 11.700 -17.188 21.876 1.00 25.67 ? 277 LEU A O 1 ATOM 1247 C CB . LEU A 1 161 ? 9.595 -14.925 22.657 1.00 26.49 ? 277 LEU A CB 1 ATOM 1248 C CG . LEU A 1 161 ? 9.095 -14.460 24.025 1.00 27.24 ? 277 LEU A CG 1 ATOM 1249 C CD1 . LEU A 1 161 ? 7.576 -14.432 24.053 1.00 34.43 ? 277 LEU A CD1 1 ATOM 1250 C CD2 . LEU A 1 161 ? 9.633 -15.360 25.128 1.00 23.91 ? 277 LEU A CD2 1 ATOM 1251 N N . THR A 1 162 ? 11.565 -15.721 20.176 1.00 23.74 ? 278 THR A N 1 ATOM 1252 C CA . THR A 1 162 ? 11.911 -16.701 19.151 1.00 21.62 ? 278 THR A CA 1 ATOM 1253 C C . THR A 1 162 ? 13.370 -17.134 19.280 1.00 27.64 ? 278 THR A C 1 ATOM 1254 O O . THR A 1 162 ? 13.741 -18.242 18.887 1.00 32.21 ? 278 THR A O 1 ATOM 1255 C CB . THR A 1 162 ? 11.654 -16.140 17.735 1.00 25.97 ? 278 THR A CB 1 ATOM 1256 O OG1 . THR A 1 162 ? 10.335 -15.586 17.675 1.00 33.37 ? 278 THR A OG1 1 ATOM 1257 C CG2 . THR A 1 162 ? 11.786 -17.233 16.684 1.00 35.62 ? 278 THR A CG2 1 ATOM 1258 N N . ASN A 1 163 ? 14.192 -16.253 19.840 1.00 26.18 ? 279 ASN A N 1 ATOM 1259 C CA . ASN A 1 163 ? 15.601 -16.549 20.065 1.00 26.32 ? 279 ASN A CA 1 ATOM 1260 C C . ASN A 1 163 ? 15.789 -17.207 21.427 1.00 27.81 ? 279 ASN A C 1 ATOM 1261 O O . ASN A 1 163 ? 15.706 -16.543 22.460 1.00 27.08 ? 279 ASN A O 1 ATOM 1262 C CB . ASN A 1 163 ? 16.428 -15.263 19.981 1.00 28.74 ? 279 ASN A CB 1 ATOM 1263 C CG . ASN A 1 163 ? 17.923 -15.526 19.930 1.00 31.10 ? 279 ASN A CG 1 ATOM 1264 O OD1 . ASN A 1 163 ? 18.388 -16.624 20.235 1.00 31.33 ? 279 ASN A OD1 1 ATOM 1265 N ND2 . ASN A 1 163 ? 18.686 -14.509 19.546 1.00 31.72 ? 279 ASN A ND2 1 ATOM 1266 N N . ASN A 1 164 ? 16.049 -18.511 21.427 1.00 26.44 ? 280 ASN A N 1 ATOM 1267 C CA . ASN A 1 164 ? 16.183 -19.261 22.674 1.00 29.01 ? 280 ASN A CA 1 ATOM 1268 C C . ASN A 1 164 ? 17.396 -18.840 23.505 1.00 25.76 ? 280 ASN A C 1 ATOM 1269 O O . ASN A 1 164 ? 17.488 -19.159 24.690 1.00 28.30 ? 280 ASN A O 1 ATOM 1270 C CB . ASN A 1 164 ? 16.224 -20.768 22.400 1.00 32.54 ? 280 ASN A CB 1 ATOM 1271 C CG . ASN A 1 164 ? 17.468 -21.190 21.643 1.00 43.01 ? 280 ASN A CG 1 ATOM 1272 O OD1 . ASN A 1 164 ? 17.545 -21.048 20.424 1.00 45.95 ? 280 ASN A OD1 1 ATOM 1273 N ND2 . ASN A 1 164 ? 18.449 -21.719 22.366 1.00 49.84 ? 280 ASN A ND2 1 ATOM 1274 N N . ALA A 1 165 ? 18.320 -18.119 22.879 1.00 26.05 ? 281 ALA A N 1 ATOM 1275 C CA . ALA A 1 165 ? 19.515 -17.647 23.569 1.00 31.41 ? 281 ALA A CA 1 ATOM 1276 C C . ALA A 1 165 ? 19.221 -16.424 24.436 1.00 29.91 ? 281 ALA A C 1 ATOM 1277 O O . ALA A 1 165 ? 20.044 -16.028 25.259 1.00 31.18 ? 281 ALA A O 1 ATOM 1278 C CB . ALA A 1 165 ? 20.621 -17.340 22.569 1.00 35.29 ? 281 ALA A CB 1 ATOM 1279 N N . LYS A 1 166 ? 18.046 -15.831 24.248 1.00 28.24 ? 282 LYS A N 1 ATOM 1280 C CA . LYS A 1 166 ? 17.653 -14.657 25.023 1.00 22.52 ? 282 LYS A CA 1 ATOM 1281 C C . LYS A 1 166 ? 16.882 -15.035 26.285 1.00 27.45 ? 282 LYS A C 1 ATOM 1282 O O . LYS A 1 166 ? 15.932 -15.817 26.239 1.00 24.99 ? 282 LYS A O 1 ATOM 1283 C CB . LYS A 1 166 ? 16.840 -13.682 24.167 1.00 21.85 ? 282 LYS A CB 1 ATOM 1284 C CG . LYS A 1 166 ? 17.655 -13.002 23.078 1.00 29.12 ? 282 LYS A CG 1 ATOM 1285 C CD . LYS A 1 166 ? 18.920 -12.385 23.656 1.00 36.86 ? 282 LYS A CD 1 ATOM 1286 C CE . LYS A 1 166 ? 19.793 -11.775 22.571 1.00 49.33 ? 282 LYS A CE 1 ATOM 1287 N NZ . LYS A 1 166 ? 19.129 -10.624 21.903 1.00 47.91 ? 282 LYS A NZ 1 ATOM 1288 N N . THR A 1 167 ? 17.301 -14.467 27.409 1.00 21.03 ? 283 THR A N 1 ATOM 1289 C CA . THR A 1 167 ? 16.711 -14.777 28.705 1.00 20.08 ? 283 THR A CA 1 ATOM 1290 C C . THR A 1 167 ? 15.256 -14.323 28.797 1.00 16.03 ? 283 THR A C 1 ATOM 1291 O O . THR A 1 167 ? 14.891 -13.257 28.299 1.00 23.91 ? 283 THR A O 1 ATOM 1292 C CB . THR A 1 167 ? 17.531 -14.137 29.848 1.00 24.58 ? 283 THR A CB 1 ATOM 1293 O OG1 . THR A 1 167 ? 18.894 -14.568 29.754 1.00 26.76 ? 283 THR A OG1 1 ATOM 1294 C CG2 . THR A 1 167 ? 16.974 -14.529 31.211 1.00 28.71 ? 283 THR A CG2 1 ATOM 1295 N N . ILE A 1 168 ? 14.427 -15.148 29.429 1.00 14.81 ? 284 ILE A N 1 ATOM 1296 C CA . ILE A 1 168 ? 13.034 -14.803 29.675 1.00 15.83 ? 284 ILE A CA 1 ATOM 1297 C C . ILE A 1 168 ? 12.836 -14.385 31.129 1.00 18.86 ? 284 ILE A C 1 ATOM 1298 O O . ILE A 1 168 ? 13.254 -15.090 32.048 1.00 24.68 ? 284 ILE A O 1 ATOM 1299 C CB . ILE A 1 168 ? 12.100 -15.993 29.374 1.00 22.74 ? 284 ILE A CB 1 ATOM 1300 C CG1 . ILE A 1 168 ? 12.213 -16.409 27.906 1.00 24.37 ? 284 ILE A CG1 1 ATOM 1301 C CG2 . ILE A 1 168 ? 10.658 -15.644 29.724 1.00 22.41 ? 284 ILE A CG2 1 ATOM 1302 C CD1 . ILE A 1 168 ? 11.448 -17.675 27.573 1.00 19.67 ? 284 ILE A CD1 1 ATOM 1303 N N . ILE A 1 169 ? 12.210 -13.230 31.331 1.00 16.57 ? 285 ILE A N 1 ATOM 1304 C CA . ILE A 1 169 ? 11.835 -12.793 32.669 1.00 16.58 ? 285 ILE A CA 1 ATOM 1305 C C . ILE A 1 169 ? 10.339 -12.989 32.882 1.00 21.96 ? 285 ILE A C 1 ATOM 1306 O O . ILE A 1 169 ? 9.519 -12.409 32.168 1.00 20.94 ? 285 ILE A O 1 ATOM 1307 C CB . ILE A 1 169 ? 12.179 -11.312 32.906 1.00 18.68 ? 285 ILE A CB 1 ATOM 1308 C CG1 . ILE A 1 169 ? 13.690 -11.089 32.818 1.00 24.58 ? 285 ILE A CG1 1 ATOM 1309 C CG2 . ILE A 1 169 ? 11.648 -10.854 34.259 1.00 18.79 ? 285 ILE A CG2 1 ATOM 1310 C CD1 . ILE A 1 169 ? 14.105 -9.641 32.984 1.00 28.31 ? 285 ILE A CD1 1 ATOM 1311 N N . VAL A 1 170 ? 9.986 -13.820 33.857 1.00 18.41 ? 286 VAL A N 1 ATOM 1312 C CA . VAL A 1 170 ? 8.593 -13.986 34.246 1.00 20.87 ? 286 VAL A CA 1 ATOM 1313 C C . VAL A 1 170 ? 8.289 -13.045 35.405 1.00 26.10 ? 286 VAL A C 1 ATOM 1314 O O . VAL A 1 170 ? 8.969 -13.076 36.428 1.00 24.86 ? 286 VAL A O 1 ATOM 1315 C CB . VAL A 1 170 ? 8.290 -15.430 34.686 1.00 25.70 ? 286 VAL A CB 1 ATOM 1316 C CG1 . VAL A 1 170 ? 6.834 -15.561 35.111 1.00 27.17 ? 286 VAL A CG1 1 ATOM 1317 C CG2 . VAL A 1 170 ? 8.616 -16.409 33.569 1.00 21.06 ? 286 VAL A CG2 1 ATOM 1318 N N . HIS A 1 171 ? 7.275 -12.203 35.240 1.00 20.77 ? 287 HIS A N 1 ATOM 1319 C CA . HIS A 1 171 ? 6.899 -11.255 36.283 1.00 20.88 ? 287 HIS A CA 1 ATOM 1320 C C . HIS A 1 171 ? 5.603 -11.694 36.957 1.00 23.39 ? 287 HIS A C 1 ATOM 1321 O O . HIS A 1 171 ? 4.525 -11.589 36.375 1.00 23.60 ? 287 HIS A O 1 ATOM 1322 C CB . HIS A 1 171 ? 6.745 -9.849 35.698 1.00 20.34 ? 287 HIS A CB 1 ATOM 1323 C CG . HIS A 1 171 ? 6.731 -8.762 36.727 1.00 22.45 ? 287 HIS A CG 1 ATOM 1324 N ND1 . HIS A 1 171 ? 6.428 -7.453 36.423 1.00 20.94 ? 287 HIS A ND1 1 ATOM 1325 C CD2 . HIS A 1 171 ? 6.989 -8.789 38.057 1.00 21.43 ? 287 HIS A CD2 1 ATOM 1326 C CE1 . HIS A 1 171 ? 6.497 -6.720 37.521 1.00 25.92 ? 287 HIS A CE1 1 ATOM 1327 N NE2 . HIS A 1 171 ? 6.836 -7.507 38.526 1.00 23.25 ? 287 HIS A NE2 1 ATOM 1328 N N . LEU A 1 172 ? 5.714 -12.187 38.188 1.00 18.68 ? 288 LEU A N 1 ATOM 1329 C CA . LEU A 1 172 ? 4.559 -12.703 38.915 1.00 22.49 ? 288 LEU A CA 1 ATOM 1330 C C . LEU A 1 172 ? 3.597 -11.596 39.340 1.00 24.81 ? 288 LEU A C 1 ATOM 1331 O O . LEU A 1 172 ? 4.003 -10.452 39.541 1.00 26.67 ? 288 LEU A O 1 ATOM 1332 C CB . LEU A 1 172 ? 5.016 -13.495 40.141 1.00 27.92 ? 288 LEU A CB 1 ATOM 1333 C CG . LEU A 1 172 ? 5.927 -14.687 39.848 1.00 25.15 ? 288 LEU A CG 1 ATOM 1334 C CD1 . LEU A 1 172 ? 6.310 -15.400 41.135 1.00 20.48 ? 288 LEU A CD1 1 ATOM 1335 C CD2 . LEU A 1 172 ? 5.249 -15.642 38.878 1.00 23.01 ? 288 LEU A CD2 1 ATOM 1336 N N . ASN A 1 173 ? 2.320 -11.944 39.468 1.00 22.93 ? 289 ASN A N 1 ATOM 1337 C CA . ASN A 1 173 ? 1.320 -11.005 39.964 1.00 26.48 ? 289 ASN A CA 1 ATOM 1338 C C . ASN A 1 173 ? 0.888 -11.354 41.385 1.00 32.14 ? 289 ASN A C 1 ATOM 1339 O O . ASN A 1 173 ? 0.044 -10.682 41.978 1.00 30.26 ? 289 ASN A O 1 ATOM 1340 C CB . ASN A 1 173 ? 0.115 -10.919 39.019 1.00 26.17 ? 289 ASN A CB 1 ATOM 1341 C CG . ASN A 1 173 ? -0.671 -12.219 38.935 1.00 30.21 ? 289 ASN A CG 1 ATOM 1342 O OD1 . ASN A 1 173 ? -0.178 -13.287 39.298 1.00 31.81 ? 289 ASN A OD1 1 ATOM 1343 N ND2 . ASN A 1 173 ? -1.907 -12.126 38.446 1.00 30.36 ? 289 ASN A ND2 1 ATOM 1344 N N . LYS A 1 174 ? 1.482 -12.416 41.920 1.00 23.55 ? 290 LYS A N 1 ATOM 1345 C CA . LYS A 1 174 ? 1.270 -12.814 43.306 1.00 25.87 ? 290 LYS A CA 1 ATOM 1346 C C . LYS A 1 174 ? 2.547 -13.446 43.843 1.00 26.72 ? 290 LYS A C 1 ATOM 1347 O O . LYS A 1 174 ? 3.083 -14.384 43.251 1.00 30.98 ? 290 LYS A O 1 ATOM 1348 C CB . LYS A 1 174 ? 0.105 -13.798 43.418 1.00 34.05 ? 290 LYS A CB 1 ATOM 1349 C CG . LYS A 1 174 ? -0.214 -14.216 44.845 1.00 42.46 ? 290 LYS A CG 1 ATOM 1350 C CD . LYS A 1 174 ? -1.409 -15.154 44.895 1.00 57.24 ? 290 LYS A CD 1 ATOM 1351 C CE . LYS A 1 174 ? -1.733 -15.558 46.324 1.00 62.50 ? 290 LYS A CE 1 ATOM 1352 N NZ . LYS A 1 174 ? -2.041 -14.379 47.180 1.00 60.78 ? 290 LYS A NZ 1 ATOM 1353 N N . SER A 1 175 ? 3.040 -12.926 44.962 1.00 23.90 ? 291 SER A N 1 ATOM 1354 C CA . SER A 1 175 ? 4.296 -13.404 45.526 1.00 29.42 ? 291 SER A CA 1 ATOM 1355 C C . SER A 1 175 ? 4.135 -14.752 46.221 1.00 34.01 ? 291 SER A C 1 ATOM 1356 O O . SER A 1 175 ? 3.046 -15.107 46.674 1.00 28.62 ? 291 SER A O 1 ATOM 1357 C CB . SER A 1 175 ? 4.876 -12.376 46.501 1.00 28.05 ? 291 SER A CB 1 ATOM 1358 O OG . SER A 1 175 ? 3.988 -12.135 47.577 1.00 39.06 ? 291 SER A OG 1 ATOM 1359 N N . VAL A 1 176 ? 5.229 -15.503 46.283 1.00 24.75 ? 292 VAL A N 1 ATOM 1360 C CA . VAL A 1 176 ? 5.285 -16.743 47.045 1.00 28.33 ? 292 VAL A CA 1 ATOM 1361 C C . VAL A 1 176 ? 6.499 -16.682 47.960 1.00 22.03 ? 292 VAL A C 1 ATOM 1362 O O . VAL A 1 176 ? 7.620 -16.484 47.495 1.00 23.81 ? 292 VAL A O 1 ATOM 1363 C CB . VAL A 1 176 ? 5.413 -17.973 46.126 1.00 26.75 ? 292 VAL A CB 1 ATOM 1364 C CG1 . VAL A 1 176 ? 5.512 -19.247 46.955 1.00 26.96 ? 292 VAL A CG1 1 ATOM 1365 C CG2 . VAL A 1 176 ? 4.235 -18.048 45.169 1.00 32.66 ? 292 VAL A CG2 1 ATOM 1366 N N . GLU A 1 177 ? 6.278 -16.840 49.261 1.00 23.56 ? 293 GLU A N 1 ATOM 1367 C CA . GLU A 1 177 ? 7.368 -16.733 50.227 1.00 21.56 ? 293 GLU A CA 1 ATOM 1368 C C . GLU A 1 177 ? 8.338 -17.907 50.147 1.00 27.21 ? 293 GLU A C 1 ATOM 1369 O O . GLU A 1 177 ? 7.933 -19.051 49.943 1.00 30.77 ? 293 GLU A O 1 ATOM 1370 C CB . GLU A 1 177 ? 6.825 -16.602 51.653 1.00 26.14 ? 293 GLU A CB 1 ATOM 1371 C CG . GLU A 1 177 ? 6.239 -15.237 51.973 1.00 40.47 ? 293 GLU A CG 1 ATOM 1372 C CD . GLU A 1 177 ? 5.970 -15.051 53.455 1.00 49.90 ? 293 GLU A CD 1 ATOM 1373 O OE1 . GLU A 1 177 ? 6.038 -16.048 54.205 1.00 37.86 ? 293 GLU A OE1 1 ATOM 1374 O OE2 . GLU A 1 177 ? 5.695 -13.906 53.870 1.00 53.04 ? 293 GLU A OE2 1 ATOM 1375 N N . ILE A 1 178 ? 9.624 -17.610 50.300 1.00 24.76 ? 294 ILE A N 1 ATOM 1376 C CA . ILE A 1 178 ? 10.638 -18.651 50.409 1.00 18.71 ? 294 ILE A CA 1 ATOM 1377 C C . ILE A 1 178 ? 11.440 -18.459 51.700 1.00 24.61 ? 294 ILE A C 1 ATOM 1378 O O . ILE A 1 178 ? 12.040 -17.408 51.927 1.00 26.52 ? 294 ILE A O 1 ATOM 1379 C CB . ILE A 1 178 ? 11.545 -18.729 49.153 1.00 24.96 ? 294 ILE A CB 1 ATOM 1380 C CG1 . ILE A 1 178 ? 12.626 -19.798 49.336 1.00 27.56 ? 294 ILE A CG1 1 ATOM 1381 C CG2 . ILE A 1 178 ? 12.153 -17.368 48.818 1.00 20.86 ? 294 ILE A CG2 1 ATOM 1382 C CD1 . ILE A 1 178 ? 13.453 -20.052 48.092 1.00 33.08 ? 294 ILE A CD1 1 ATOM 1383 N N . ASN A 1 179 ? 11.419 -19.483 52.547 1.00 23.65 ? 295 ASN A N 1 ATOM 1384 C CA . ASN A 1 179 ? 11.950 -19.402 53.903 1.00 28.51 ? 295 ASN A CA 1 ATOM 1385 C C . ASN A 1 179 ? 13.258 -20.175 54.041 1.00 23.99 ? 295 ASN A C 1 ATOM 1386 O O . ASN A 1 179 ? 13.249 -21.400 54.145 1.00 27.24 ? 295 ASN A O 1 ATOM 1387 C CB . ASN A 1 179 ? 10.911 -19.960 54.880 1.00 32.15 ? 295 ASN A CB 1 ATOM 1388 C CG . ASN A 1 179 ? 11.186 -19.580 56.322 1.00 25.42 ? 295 ASN A CG 1 ATOM 1389 O OD1 . ASN A 1 179 ? 12.303 -19.206 56.681 1.00 27.49 ? 295 ASN A OD1 1 ATOM 1390 N ND2 . ASN A 1 179 ? 10.157 -19.676 57.159 1.00 33.50 ? 295 ASN A ND2 1 ATOM 1391 N N . CYS A 1 180 ? 14.378 -19.459 54.057 1.00 25.92 ? 296 CYS A N 1 ATOM 1392 C CA . CYS A 1 180 ? 15.693 -20.099 54.060 1.00 22.80 ? 296 CYS A CA 1 ATOM 1393 C C . CYS A 1 180 ? 16.403 -19.984 55.405 1.00 24.90 ? 296 CYS A C 1 ATOM 1394 O O . CYS A 1 180 ? 16.478 -18.900 55.987 1.00 22.14 ? 296 CYS A O 1 ATOM 1395 C CB . CYS A 1 180 ? 16.565 -19.514 52.952 1.00 22.93 ? 296 CYS A CB 1 ATOM 1396 S SG . CYS A 1 180 ? 15.800 -19.617 51.318 1.00 29.05 ? 296 CYS A SG 1 ATOM 1397 N N . THR A 1 181 ? 16.936 -21.104 55.886 1.00 23.93 ? 297 THR A N 1 ATOM 1398 C CA . THR A 1 181 ? 17.528 -21.156 57.218 1.00 26.28 ? 297 THR A CA 1 ATOM 1399 C C . THR A 1 181 ? 18.801 -22.000 57.295 1.00 28.48 ? 297 THR A C 1 ATOM 1400 O O . THR A 1 181 ? 18.842 -23.127 56.804 1.00 25.36 ? 297 THR A O 1 ATOM 1401 C CB . THR A 1 181 ? 16.521 -21.725 58.245 1.00 28.17 ? 297 THR A CB 1 ATOM 1402 O OG1 . THR A 1 181 ? 15.313 -20.956 58.219 1.00 29.89 ? 297 THR A OG1 1 ATOM 1403 C CG2 . THR A 1 181 ? 17.107 -21.696 59.651 1.00 32.33 ? 297 THR A CG2 1 ATOM 1404 N N . ARG A 1 182 ? 19.840 -21.436 57.906 1.00 27.41 ? 298 ARG A N 1 ATOM 1405 C CA . ARG A 1 182 ? 20.969 -22.217 58.397 1.00 23.12 ? 298 ARG A CA 1 ATOM 1406 C C . ARG A 1 182 ? 20.758 -22.320 59.903 1.00 25.65 ? 298 ARG A C 1 ATOM 1407 O O . ARG A 1 182 ? 21.002 -21.357 60.632 1.00 27.52 ? 298 ARG A O 1 ATOM 1408 C CB . ARG A 1 182 ? 22.293 -21.511 58.090 1.00 23.15 ? 298 ARG A CB 1 ATOM 1409 C CG . ARG A 1 182 ? 23.534 -22.410 58.051 1.00 25.06 ? 298 ARG A CG 1 ATOM 1410 C CD . ARG A 1 182 ? 23.902 -22.991 59.415 1.00 26.16 ? 298 ARG A CD 1 ATOM 1411 N NE . ARG A 1 182 ? 24.098 -21.960 60.433 1.00 25.42 ? 298 ARG A NE 1 ATOM 1412 C CZ . ARG A 1 182 ? 25.276 -21.421 60.735 1.00 26.97 ? 298 ARG A CZ 1 ATOM 1413 N NH1 . ARG A 1 182 ? 26.370 -21.812 60.096 1.00 22.82 ? 298 ARG A NH1 1 ATOM 1414 N NH2 . ARG A 1 182 ? 25.361 -20.492 61.678 1.00 27.39 ? 298 ARG A NH2 1 ATOM 1415 N N . PRO A 1 183 ? 20.298 -23.492 60.370 1.00 28.01 ? 299 PRO A N 1 ATOM 1416 C CA . PRO A 1 183 ? 19.882 -23.712 61.761 1.00 29.92 ? 299 PRO A CA 1 ATOM 1417 C C . PRO A 1 183 ? 21.031 -23.571 62.760 1.00 39.26 ? 299 PRO A C 1 ATOM 1418 O O . PRO A 1 183 ? 22.201 -23.689 62.394 1.00 28.76 ? 299 PRO A O 1 ATOM 1419 C CB . PRO A 1 183 ? 19.365 -25.157 61.745 1.00 40.61 ? 299 PRO A CB 1 ATOM 1420 C CG . PRO A 1 183 ? 20.077 -25.799 60.607 1.00 41.60 ? 299 PRO A CG 1 ATOM 1421 C CD . PRO A 1 183 ? 20.214 -24.725 59.568 1.00 26.41 ? 299 PRO A CD 1 ATOM 1422 N N . SER A 1 184 ? 20.668 -23.297 64.013 1.00 45.99 ? 300 SER A N 1 ATOM 1423 C CA . SER A 1 184 ? 21.631 -23.157 65.098 1.00 54.91 ? 300 SER A CA 1 ATOM 1424 C C . SER A 1 184 ? 21.972 -24.553 65.629 1.00 55.80 ? 300 SER A C 1 ATOM 1425 O O . SER A 1 184 ? 21.538 -25.563 65.074 1.00 57.48 ? 300 SER A O 1 ATOM 1426 C CB . SER A 1 184 ? 21.115 -22.261 66.236 1.00 58.38 ? 300 SER A CB 1 ATOM 1427 O OG . SER A 1 184 ? 22.118 -22.074 67.213 1.00 63.83 ? 300 SER A OG 1 ATOM 1428 N N . ASN A 1 185 ? 22.738 -24.605 66.714 1.00 73.91 ? 301 ASN A N 1 ATOM 1429 C CA . ASN A 1 185 ? 23.146 -25.865 67.334 1.00 79.68 ? 301 ASN A CA 1 ATOM 1430 C C . ASN A 1 185 ? 21.986 -26.755 67.766 1.00 78.07 ? 301 ASN A C 1 ATOM 1431 O O . ASN A 1 185 ? 22.155 -27.957 67.951 1.00 78.24 ? 301 ASN A O 1 ATOM 1432 C CB . ASN A 1 185 ? 24.065 -25.587 68.521 1.00 82.27 ? 301 ASN A CB 1 ATOM 1433 C CG . ASN A 1 185 ? 25.258 -24.744 68.134 1.00 86.15 ? 301 ASN A CG 1 ATOM 1434 O OD1 . ASN A 1 185 ? 25.798 -24.890 67.038 1.00 86.88 ? 301 ASN A OD1 1 ATOM 1435 N ND2 . ASN A 1 185 ? 25.665 -23.841 69.020 1.00 84.50 ? 301 ASN A ND2 1 ATOM 1436 N N . GLY A 1 192 ? 28.264 -31.186 63.406 1.00 64.48 ? 324 GLY A N 1 ATOM 1437 C CA . GLY A 1 192 ? 27.317 -30.271 62.797 1.00 58.17 ? 324 GLY A CA 1 ATOM 1438 C C . GLY A 1 192 ? 27.893 -29.545 61.596 1.00 52.05 ? 324 GLY A C 1 ATOM 1439 O O . GLY A 1 192 ? 28.932 -28.891 61.694 1.00 42.32 ? 324 GLY A O 1 ATOM 1440 N N . ASP A 1 193 ? 27.214 -29.662 60.459 1.00 46.25 ? 325 ASP A N 1 ATOM 1441 C CA . ASP A 1 193 ? 27.652 -29.008 59.232 1.00 40.76 ? 325 ASP A CA 1 ATOM 1442 C C . ASP A 1 193 ? 27.214 -27.546 59.225 1.00 36.30 ? 325 ASP A C 1 ATOM 1443 O O . ASP A 1 193 ? 26.037 -27.241 59.033 1.00 31.67 ? 325 ASP A O 1 ATOM 1444 C CB . ASP A 1 193 ? 27.086 -29.738 58.011 1.00 38.53 ? 325 ASP A CB 1 ATOM 1445 C CG . ASP A 1 193 ? 27.801 -29.371 56.721 1.00 46.02 ? 325 ASP A CG 1 ATOM 1446 O OD1 . ASP A 1 193 ? 28.401 -28.277 56.650 1.00 36.40 ? 325 ASP A OD1 1 ATOM 1447 O OD2 . ASP A 1 193 ? 27.757 -30.181 55.771 1.00 39.13 ? 325 ASP A OD2 1 ATOM 1448 N N . ILE A 1 194 ? 28.172 -26.646 59.422 1.00 26.66 ? 326 ILE A N 1 ATOM 1449 C CA . ILE A 1 194 ? 27.880 -25.219 59.510 1.00 24.05 ? 326 ILE A CA 1 ATOM 1450 C C . ILE A 1 194 ? 27.475 -24.612 58.167 1.00 21.68 ? 326 ILE A C 1 ATOM 1451 O O . ILE A 1 194 ? 27.005 -23.475 58.112 1.00 25.08 ? 326 ILE A O 1 ATOM 1452 C CB . ILE A 1 194 ? 29.079 -24.429 60.071 1.00 32.48 ? 326 ILE A CB 1 ATOM 1453 C CG1 . ILE A 1 194 ? 30.247 -24.452 59.084 1.00 32.21 ? 326 ILE A CG1 1 ATOM 1454 C CG2 . ILE A 1 194 ? 29.500 -24.987 61.422 1.00 38.67 ? 326 ILE A CG2 1 ATOM 1455 C CD1 . ILE A 1 194 ? 31.427 -23.606 59.515 1.00 33.74 ? 326 ILE A CD1 1 ATOM 1456 N N . ARG A 1 195 ? 27.656 -25.368 57.089 1.00 24.56 ? 327 ARG A N 1 ATOM 1457 C CA . ARG A 1 195 ? 27.332 -24.874 55.754 1.00 26.01 ? 327 ARG A CA 1 ATOM 1458 C C . ARG A 1 195 ? 26.062 -25.501 55.191 1.00 27.41 ? 327 ARG A C 1 ATOM 1459 O O . ARG A 1 195 ? 25.643 -25.181 54.079 1.00 25.71 ? 327 ARG A O 1 ATOM 1460 C CB . ARG A 1 195 ? 28.507 -25.093 54.799 1.00 22.51 ? 327 ARG A CB 1 ATOM 1461 C CG . ARG A 1 195 ? 29.722 -24.244 55.135 1.00 24.82 ? 327 ARG A CG 1 ATOM 1462 C CD . ARG A 1 195 ? 30.910 -24.576 54.250 1.00 24.75 ? 327 ARG A CD 1 ATOM 1463 N NE . ARG A 1 195 ? 32.120 -23.893 54.701 1.00 28.48 ? 327 ARG A NE 1 ATOM 1464 C CZ . ARG A 1 195 ? 32.900 -24.332 55.684 1.00 31.58 ? 327 ARG A CZ 1 ATOM 1465 N NH1 . ARG A 1 195 ? 32.597 -25.454 56.321 1.00 27.50 ? 327 ARG A NH1 1 ATOM 1466 N NH2 . ARG A 1 195 ? 33.982 -23.648 56.032 1.00 27.06 ? 327 ARG A NH2 1 ATOM 1467 N N . LYS A 1 196 ? 25.450 -26.392 55.964 1.00 25.97 ? 328 LYS A N 1 ATOM 1468 C CA . LYS A 1 196 ? 24.220 -27.047 55.541 1.00 23.94 ? 328 LYS A CA 1 ATOM 1469 C C . LYS A 1 196 ? 23.008 -26.179 55.862 1.00 21.28 ? 328 LYS A C 1 ATOM 1470 O O . LYS A 1 196 ? 22.859 -25.695 56.985 1.00 24.58 ? 328 LYS A O 1 ATOM 1471 C CB . LYS A 1 196 ? 24.083 -28.414 56.213 1.00 29.00 ? 328 LYS A CB 1 ATOM 1472 C CG . LYS A 1 196 ? 22.943 -29.256 55.671 1.00 32.61 ? 328 LYS A CG 1 ATOM 1473 C CD . LYS A 1 196 ? 22.933 -30.639 56.301 1.00 44.37 ? 328 LYS A CD 1 ATOM 1474 C CE . LYS A 1 196 ? 21.971 -31.565 55.577 1.00 61.63 ? 328 LYS A CE 1 ATOM 1475 N NZ . LYS A 1 196 ? 22.364 -31.763 54.153 1.00 69.42 ? 328 LYS A NZ 1 ATOM 1476 N N . ALA A 1 197 ? 22.145 -25.985 54.871 1.00 21.12 ? 329 ALA A N 1 ATOM 1477 C CA . ALA A 1 197 ? 20.969 -25.141 55.044 1.00 21.20 ? 329 ALA A CA 1 ATOM 1478 C C . ALA A 1 197 ? 19.796 -25.667 54.229 1.00 21.20 ? 329 ALA A C 1 ATOM 1479 O O . ALA A 1 197 ? 19.921 -26.664 53.516 1.00 23.84 ? 329 ALA A O 1 ATOM 1480 C CB . ALA A 1 197 ? 21.288 -23.706 54.652 1.00 21.17 ? 329 ALA A CB 1 ATOM 1481 N N . TYR A 1 198 ? 18.656 -24.993 54.336 1.00 21.33 ? 330 TYR A N 1 ATOM 1482 C CA . TYR A 1 198 ? 17.472 -25.391 53.581 1.00 26.69 ? 330 TYR A CA 1 ATOM 1483 C C . TYR A 1 198 ? 16.498 -24.238 53.359 1.00 23.68 ? 330 TYR A C 1 ATOM 1484 O O . TYR A 1 198 ? 16.509 -23.252 54.094 1.00 25.57 ? 330 TYR A O 1 ATOM 1485 C CB . TYR A 1 198 ? 16.759 -26.559 54.272 1.00 26.67 ? 330 TYR A CB 1 ATOM 1486 C CG . TYR A 1 198 ? 16.415 -26.301 55.722 1.00 29.50 ? 330 TYR A CG 1 ATOM 1487 C CD1 . TYR A 1 198 ? 15.211 -25.705 56.076 1.00 38.64 ? 330 TYR A CD1 1 ATOM 1488 C CD2 . TYR A 1 198 ? 17.293 -26.658 56.738 1.00 37.02 ? 330 TYR A CD2 1 ATOM 1489 C CE1 . TYR A 1 198 ? 14.893 -25.468 57.400 1.00 43.58 ? 330 TYR A CE1 1 ATOM 1490 C CE2 . TYR A 1 198 ? 16.984 -26.425 58.064 1.00 45.98 ? 330 TYR A CE2 1 ATOM 1491 C CZ . TYR A 1 198 ? 15.783 -25.830 58.390 1.00 50.15 ? 330 TYR A CZ 1 ATOM 1492 O OH . TYR A 1 198 ? 15.470 -25.597 59.709 1.00 57.15 ? 330 TYR A OH 1 ATOM 1493 N N . CYS A 1 199 ? 15.659 -24.372 52.335 1.00 22.15 ? 331 CYS A N 1 ATOM 1494 C CA . CYS A 1 199 ? 14.604 -23.401 52.067 1.00 27.76 ? 331 CYS A CA 1 ATOM 1495 C C . CYS A 1 199 ? 13.239 -24.080 52.074 1.00 33.96 ? 331 CYS A C 1 ATOM 1496 O O . CYS A 1 199 ? 13.072 -25.157 51.504 1.00 32.34 ? 331 CYS A O 1 ATOM 1497 C CB . CYS A 1 199 ? 14.831 -22.705 50.724 1.00 28.82 ? 331 CYS A CB 1 ATOM 1498 S SG . CYS A 1 199 ? 16.186 -21.515 50.709 1.00 31.52 ? 331 CYS A SG 1 ATOM 1499 N N . GLU A 1 200 ? 12.268 -23.445 52.723 1.00 28.85 ? 332 GLU A N 1 ATOM 1500 C CA . GLU A 1 200 ? 10.910 -23.977 52.785 1.00 24.93 ? 332 GLU A CA 1 ATOM 1501 C C . GLU A 1 200 ? 9.937 -23.116 51.985 1.00 28.18 ? 332 GLU A C 1 ATOM 1502 O O . GLU A 1 200 ? 9.940 -21.890 52.100 1.00 28.11 ? 332 GLU A O 1 ATOM 1503 C CB . GLU A 1 200 ? 10.441 -24.088 54.237 1.00 29.56 ? 332 GLU A CB 1 ATOM 1504 C CG . GLU A 1 200 ? 11.201 -25.118 55.055 1.00 35.65 ? 332 GLU A CG 1 ATOM 1505 C CD . GLU A 1 200 ? 10.758 -25.154 56.504 1.00 52.20 ? 332 GLU A CD 1 ATOM 1506 O OE1 . GLU A 1 200 ? 10.486 -24.075 57.072 1.00 51.20 ? 332 GLU A OE1 1 ATOM 1507 O OE2 . GLU A 1 200 ? 10.675 -26.262 57.074 1.00 58.69 ? 332 GLU A OE2 1 ATOM 1508 N N . ILE A 1 201 ? 9.112 -23.769 51.170 1.00 27.57 ? 333 ILE A N 1 ATOM 1509 C CA . ILE A 1 201 ? 8.131 -23.084 50.333 1.00 22.56 ? 333 ILE A CA 1 ATOM 1510 C C . ILE A 1 201 ? 6.798 -23.829 50.373 1.00 27.13 ? 333 ILE A C 1 ATOM 1511 O O . ILE A 1 201 ? 6.767 -25.059 50.321 1.00 29.65 ? 333 ILE A O 1 ATOM 1512 C CB . ILE A 1 201 ? 8.609 -22.992 48.865 1.00 25.94 ? 333 ILE A CB 1 ATOM 1513 C CG1 . ILE A 1 201 ? 9.933 -22.232 48.773 1.00 32.98 ? 333 ILE A CG1 1 ATOM 1514 C CG2 . ILE A 1 201 ? 7.563 -22.312 47.992 1.00 30.14 ? 333 ILE A CG2 1 ATOM 1515 C CD1 . ILE A 1 201 ? 11.037 -23.015 48.109 1.00 36.53 ? 333 ILE A CD1 1 ATOM 1516 N N . ASN A 1 202 ? 5.701 -23.084 50.480 1.00 28.52 ? 334 ASN A N 1 ATOM 1517 C CA . ASN A 1 202 ? 4.369 -23.677 50.431 1.00 28.92 ? 334 ASN A CA 1 ATOM 1518 C C . ASN A 1 202 ? 4.119 -24.289 49.057 1.00 30.99 ? 334 ASN A C 1 ATOM 1519 O O . ASN A 1 202 ? 3.996 -23.575 48.061 1.00 31.96 ? 334 ASN A O 1 ATOM 1520 C CB . ASN A 1 202 ? 3.300 -22.628 50.760 1.00 28.86 ? 334 ASN A CB 1 ATOM 1521 C CG . ASN A 1 202 ? 1.921 -23.237 50.983 1.00 35.00 ? 334 ASN A CG 1 ATOM 1522 O OD1 . ASN A 1 202 ? 1.493 -24.128 50.248 1.00 34.55 ? 334 ASN A OD1 1 ATOM 1523 N ND2 . ASN A 1 202 ? 1.220 -22.753 52.008 1.00 51.30 ? 334 ASN A ND2 1 ATOM 1524 N N . GLY A 1 203 ? 4.048 -25.616 49.011 1.00 30.76 ? 335 GLY A N 1 ATOM 1525 C CA . GLY A 1 203 ? 3.885 -26.333 47.759 1.00 28.74 ? 335 GLY A CA 1 ATOM 1526 C C . GLY A 1 203 ? 2.573 -26.045 47.057 1.00 32.46 ? 335 GLY A C 1 ATOM 1527 O O . GLY A 1 203 ? 2.505 -26.054 45.828 1.00 32.88 ? 335 GLY A O 1 ATOM 1528 N N . THR A 1 204 ? 1.528 -25.792 47.838 1.00 30.84 ? 336 THR A N 1 ATOM 1529 C CA . THR A 1 204 ? 0.217 -25.483 47.280 1.00 34.08 ? 336 THR A CA 1 ATOM 1530 C C . THR A 1 204 ? 0.236 -24.131 46.573 1.00 35.75 ? 336 THR A C 1 ATOM 1531 O O . THR A 1 204 ? -0.267 -23.998 45.456 1.00 40.51 ? 336 THR A O 1 ATOM 1532 C CB . THR A 1 204 ? -0.876 -25.481 48.364 1.00 46.98 ? 336 THR A CB 1 ATOM 1533 O OG1 . THR A 1 204 ? -0.884 -26.745 49.039 1.00 49.71 ? 336 THR A OG1 1 ATOM 1534 C CG2 . THR A 1 204 ? -2.243 -25.235 47.744 1.00 51.14 ? 336 THR A CG2 1 ATOM 1535 N N . LYS A 1 205 ? 0.824 -23.133 47.226 1.00 34.00 ? 337 LYS A N 1 ATOM 1536 C CA . LYS A 1 205 ? 0.933 -21.796 46.651 1.00 35.64 ? 337 LYS A CA 1 ATOM 1537 C C . LYS A 1 205 ? 1.816 -21.781 45.408 1.00 31.39 ? 337 LYS A C 1 ATOM 1538 O O . LYS A 1 205 ? 1.456 -21.188 44.391 1.00 34.94 ? 337 LYS A O 1 ATOM 1539 C CB . LYS A 1 205 ? 1.485 -20.806 47.679 1.00 35.80 ? 337 LYS A CB 1 ATOM 1540 C CG . LYS A 1 205 ? 0.573 -20.551 48.864 1.00 39.91 ? 337 LYS A CG 1 ATOM 1541 C CD . LYS A 1 205 ? 1.181 -19.527 49.812 1.00 46.01 ? 337 LYS A CD 1 ATOM 1542 C CE . LYS A 1 205 ? 0.340 -19.361 51.068 1.00 58.31 ? 337 LYS A CE 1 ATOM 1543 N NZ . LYS A 1 205 ? -1.056 -18.946 50.758 1.00 58.87 ? 337 LYS A NZ 1 ATOM 1544 N N . TRP A 1 206 ? 2.972 -22.433 45.495 1.00 24.44 ? 338 TRP A N 1 ATOM 1545 C CA . TRP A 1 206 ? 3.944 -22.413 44.406 1.00 26.51 ? 338 TRP A CA 1 ATOM 1546 C C . TRP A 1 206 ? 3.439 -23.116 43.150 1.00 28.76 ? 338 TRP A C 1 ATOM 1547 O O . TRP A 1 206 ? 3.531 -22.573 42.048 1.00 26.73 ? 338 TRP A O 1 ATOM 1548 C CB . TRP A 1 206 ? 5.276 -23.025 44.850 1.00 23.82 ? 338 TRP A CB 1 ATOM 1549 C CG . TRP A 1 206 ? 6.248 -23.201 43.719 1.00 25.43 ? 338 TRP A CG 1 ATOM 1550 C CD1 . TRP A 1 206 ? 6.577 -24.369 43.095 1.00 24.54 ? 338 TRP A CD1 1 ATOM 1551 C CD2 . TRP A 1 206 ? 7.003 -22.172 43.067 1.00 26.02 ? 338 TRP A CD2 1 ATOM 1552 N NE1 . TRP A 1 206 ? 7.495 -24.132 42.100 1.00 28.06 ? 338 TRP A NE1 1 ATOM 1553 C CE2 . TRP A 1 206 ? 7.773 -22.791 42.062 1.00 25.08 ? 338 TRP A CE2 1 ATOM 1554 C CE3 . TRP A 1 206 ? 7.105 -20.788 43.237 1.00 31.41 ? 338 TRP A CE3 1 ATOM 1555 C CZ2 . TRP A 1 206 ? 8.633 -22.075 41.232 1.00 30.72 ? 338 TRP A CZ2 1 ATOM 1556 C CZ3 . TRP A 1 206 ? 7.960 -20.078 42.412 1.00 35.92 ? 338 TRP A CZ3 1 ATOM 1557 C CH2 . TRP A 1 206 ? 8.712 -20.723 41.422 1.00 30.77 ? 338 TRP A CH2 1 ATOM 1558 N N . ASN A 1 207 ? 2.910 -24.324 43.318 1.00 27.29 ? 339 ASN A N 1 ATOM 1559 C CA . ASN A 1 207 ? 2.414 -25.100 42.186 1.00 30.02 ? 339 ASN A CA 1 ATOM 1560 C C . ASN A 1 207 ? 1.232 -24.434 41.490 1.00 30.37 ? 339 ASN A C 1 ATOM 1561 O O . ASN A 1 207 ? 1.059 -24.569 40.279 1.00 29.23 ? 339 ASN A O 1 ATOM 1562 C CB . ASN A 1 207 ? 2.055 -26.522 42.620 1.00 33.88 ? 339 ASN A CB 1 ATOM 1563 C CG . ASN A 1 207 ? 3.281 -27.364 42.916 1.00 40.03 ? 339 ASN A CG 1 ATOM 1564 O OD1 . ASN A 1 207 ? 4.294 -27.268 42.224 1.00 39.41 ? 339 ASN A OD1 1 ATOM 1565 N ND2 . ASN A 1 207 ? 3.195 -28.194 43.949 1.00 40.17 ? 339 ASN A ND2 1 ATOM 1566 N N . LYS A 1 208 ? 0.425 -23.713 42.261 1.00 26.86 ? 340 LYS A N 1 ATOM 1567 C CA . LYS A 1 208 ? -0.698 -22.969 41.704 1.00 34.24 ? 340 LYS A CA 1 ATOM 1568 C C . LYS A 1 208 ? -0.190 -21.811 40.849 1.00 36.28 ? 340 LYS A C 1 ATOM 1569 O O . LYS A 1 208 ? -0.696 -21.563 39.755 1.00 30.74 ? 340 LYS A O 1 ATOM 1570 C CB . LYS A 1 208 ? -1.604 -22.450 42.822 1.00 37.65 ? 340 LYS A CB 1 ATOM 1571 C CG . LYS A 1 208 ? -2.861 -21.749 42.334 1.00 55.15 ? 340 LYS A CG 1 ATOM 1572 C CD . LYS A 1 208 ? -3.794 -21.428 43.491 1.00 64.40 ? 340 LYS A CD 1 ATOM 1573 C CE . LYS A 1 208 ? -5.061 -20.740 43.008 1.00 74.36 ? 340 LYS A CE 1 ATOM 1574 N NZ . LYS A 1 208 ? -4.772 -19.424 42.375 1.00 75.26 ? 340 LYS A NZ 1 ATOM 1575 N N . VAL A 1 209 ? 0.821 -21.111 41.354 1.00 29.87 ? 341 VAL A N 1 ATOM 1576 C CA . VAL A 1 209 ? 1.438 -20.012 40.620 1.00 25.74 ? 341 VAL A CA 1 ATOM 1577 C C . VAL A 1 209 ? 2.149 -20.517 39.367 1.00 24.55 ? 341 VAL A C 1 ATOM 1578 O O . VAL A 1 209 ? 2.036 -19.923 38.294 1.00 25.92 ? 341 VAL A O 1 ATOM 1579 C CB . VAL A 1 209 ? 2.429 -19.230 41.511 1.00 29.41 ? 341 VAL A CB 1 ATOM 1580 C CG1 . VAL A 1 209 ? 3.330 -18.338 40.669 1.00 25.39 ? 341 VAL A CG1 1 ATOM 1581 C CG2 . VAL A 1 209 ? 1.673 -18.413 42.546 1.00 35.44 ? 341 VAL A CG2 1 ATOM 1582 N N . LEU A 1 210 ? 2.866 -21.628 39.503 1.00 25.22 ? 342 LEU A N 1 ATOM 1583 C CA . LEU A 1 210 ? 3.607 -22.196 38.383 1.00 27.00 ? 342 LEU A CA 1 ATOM 1584 C C . LEU A 1 210 ? 2.666 -22.666 37.274 1.00 31.06 ? 342 LEU A C 1 ATOM 1585 O O . LEU A 1 210 ? 2.992 -22.563 36.093 1.00 26.98 ? 342 LEU A O 1 ATOM 1586 C CB . LEU A 1 210 ? 4.508 -23.340 38.853 1.00 33.78 ? 342 LEU A CB 1 ATOM 1587 C CG . LEU A 1 210 ? 5.717 -23.634 37.964 1.00 41.16 ? 342 LEU A CG 1 ATOM 1588 C CD1 . LEU A 1 210 ? 6.510 -22.360 37.713 1.00 31.23 ? 342 LEU A CD1 1 ATOM 1589 C CD2 . LEU A 1 210 ? 6.603 -24.697 38.593 1.00 37.23 ? 342 LEU A CD2 1 ATOM 1590 N N . LYS A 1 211 ? 1.499 -23.173 37.661 1.00 24.38 ? 343 LYS A N 1 ATOM 1591 C CA . LYS A 1 211 ? 0.474 -23.565 36.699 1.00 29.07 ? 343 LYS A CA 1 ATOM 1592 C C . LYS A 1 211 ? -0.001 -22.352 35.904 1.00 31.15 ? 343 LYS A C 1 ATOM 1593 O O . LYS A 1 211 ? -0.221 -22.435 34.694 1.00 24.96 ? 343 LYS A O 1 ATOM 1594 C CB . LYS A 1 211 ? -0.708 -24.222 37.414 1.00 31.78 ? 343 LYS A CB 1 ATOM 1595 C CG . LYS A 1 211 ? -1.813 -24.710 36.487 1.00 41.86 ? 343 LYS A CG 1 ATOM 1596 C CD . LYS A 1 211 ? -1.335 -25.858 35.613 1.00 50.06 ? 343 LYS A CD 1 ATOM 1597 C CE . LYS A 1 211 ? -2.462 -26.411 34.753 1.00 62.60 ? 343 LYS A CE 1 ATOM 1598 N NZ . LYS A 1 211 ? -2.983 -25.399 33.793 1.00 62.01 ? 343 LYS A NZ 1 ATOM 1599 N N . GLN A 1 212 ? -0.153 -21.224 36.592 1.00 25.19 ? 344 GLN A N 1 ATOM 1600 C CA . GLN A 1 212 ? -0.559 -19.980 35.946 1.00 24.56 ? 344 GLN A CA 1 ATOM 1601 C C . GLN A 1 212 ? 0.520 -19.465 34.998 1.00 24.69 ? 344 GLN A C 1 ATOM 1602 O O . GLN A 1 212 ? 0.217 -18.889 33.952 1.00 23.55 ? 344 GLN A O 1 ATOM 1603 C CB . GLN A 1 212 ? -0.895 -18.916 36.994 1.00 22.63 ? 344 GLN A CB 1 ATOM 1604 C CG . GLN A 1 212 ? -2.195 -19.171 37.737 1.00 28.70 ? 344 GLN A CG 1 ATOM 1605 C CD . GLN A 1 212 ? -2.450 -18.147 38.825 1.00 41.06 ? 344 GLN A CD 1 ATOM 1606 O OE1 . GLN A 1 212 ? -1.517 -17.659 39.462 1.00 48.21 ? 344 GLN A OE1 1 ATOM 1607 N NE2 . GLN A 1 212 ? -3.717 -17.814 39.040 1.00 46.45 ? 344 GLN A NE2 1 ATOM 1608 N N . VAL A 1 213 ? 1.780 -19.674 35.371 1.00 21.20 ? 345 VAL A N 1 ATOM 1609 C CA . VAL A 1 213 ? 2.902 -19.296 34.520 1.00 23.67 ? 345 VAL A CA 1 ATOM 1610 C C . VAL A 1 213 ? 2.899 -20.110 33.225 1.00 20.85 ? 345 VAL A C 1 ATOM 1611 O O . VAL A 1 213 ? 3.171 -19.578 32.147 1.00 22.18 ? 345 VAL A O 1 ATOM 1612 C CB . VAL A 1 213 ? 4.253 -19.462 35.255 1.00 26.07 ? 345 VAL A CB 1 ATOM 1613 C CG1 . VAL A 1 213 ? 5.420 -19.256 34.299 1.00 23.74 ? 345 VAL A CG1 1 ATOM 1614 C CG2 . VAL A 1 213 ? 4.341 -18.490 36.421 1.00 20.69 ? 345 VAL A CG2 1 ATOM 1615 N N . THR A 1 214 ? 2.578 -21.397 33.334 1.00 23.53 ? 346 THR A N 1 ATOM 1616 C CA . THR A 1 214 ? 2.507 -22.264 32.160 1.00 29.62 ? 346 THR A CA 1 ATOM 1617 C C . THR A 1 214 ? 1.420 -21.801 31.199 1.00 25.41 ? 346 THR A C 1 ATOM 1618 O O . THR A 1 214 ? 1.599 -21.839 29.982 1.00 27.13 ? 346 THR A O 1 ATOM 1619 C CB . THR A 1 214 ? 2.236 -23.735 32.540 1.00 38.02 ? 346 THR A CB 1 ATOM 1620 O OG1 . THR A 1 214 ? 0.994 -23.831 33.247 1.00 50.86 ? 346 THR A OG1 1 ATOM 1621 C CG2 . THR A 1 214 ? 3.355 -24.281 33.408 1.00 30.99 ? 346 THR A CG2 1 ATOM 1622 N N . GLU A 1 215 ? 0.293 -21.361 31.751 1.00 24.90 ? 347 GLU A N 1 ATOM 1623 C CA . GLU A 1 215 ? -0.822 -20.885 30.939 1.00 26.14 ? 347 GLU A CA 1 ATOM 1624 C C . GLU A 1 215 ? -0.478 -19.589 30.207 1.00 26.64 ? 347 GLU A C 1 ATOM 1625 O O . GLU A 1 215 ? -0.939 -19.361 29.089 1.00 25.96 ? 347 GLU A O 1 ATOM 1626 C CB . GLU A 1 215 ? -2.078 -20.703 31.795 1.00 28.97 ? 347 GLU A CB 1 ATOM 1627 C CG . GLU A 1 215 ? -2.641 -22.004 32.347 1.00 37.37 ? 347 GLU A CG 1 ATOM 1628 C CD . GLU A 1 215 ? -3.089 -22.956 31.254 1.00 59.42 ? 347 GLU A CD 1 ATOM 1629 O OE1 . GLU A 1 215 ? -3.910 -22.547 30.406 1.00 62.29 ? 347 GLU A OE1 1 ATOM 1630 O OE2 . GLU A 1 215 ? -2.617 -24.113 31.239 1.00 66.86 ? 347 GLU A OE2 1 ATOM 1631 N N . LYS A 1 216 ? 0.333 -18.746 30.838 1.00 23.13 ? 348 LYS A N 1 ATOM 1632 C CA . LYS A 1 216 ? 0.783 -17.509 30.205 1.00 21.17 ? 348 LYS A CA 1 ATOM 1633 C C . LYS A 1 216 ? 1.767 -17.787 29.077 1.00 22.56 ? 348 LYS A C 1 ATOM 1634 O O . LYS A 1 216 ? 1.694 -17.169 28.014 1.00 24.36 ? 348 LYS A O 1 ATOM 1635 C CB . LYS A 1 216 ? 1.424 -16.565 31.225 1.00 22.63 ? 348 LYS A CB 1 ATOM 1636 C CG . LYS A 1 216 ? 0.425 -15.818 32.082 1.00 40.75 ? 348 LYS A CG 1 ATOM 1637 C CD . LYS A 1 216 ? -0.656 -15.155 31.233 1.00 41.94 ? 348 LYS A CD 1 ATOM 1638 C CE . LYS A 1 216 ? -0.116 -14.000 30.408 1.00 30.26 ? 348 LYS A CE 1 ATOM 1639 N NZ . LYS A 1 216 ? -1.222 -13.274 29.716 1.00 36.80 ? 348 LYS A NZ 1 ATOM 1640 N N . LEU A 1 217 ? 2.690 -18.712 29.322 1.00 22.82 ? 349 LEU A N 1 ATOM 1641 C CA . LEU A 1 217 ? 3.675 -19.100 28.319 1.00 25.21 ? 349 LEU A CA 1 ATOM 1642 C C . LEU A 1 217 ? 2.997 -19.690 27.087 1.00 25.67 ? 349 LEU A C 1 ATOM 1643 O O . LEU A 1 217 ? 3.472 -19.514 25.965 1.00 25.37 ? 349 LEU A O 1 ATOM 1644 C CB . LEU A 1 217 ? 4.680 -20.093 28.908 1.00 20.18 ? 349 LEU A CB 1 ATOM 1645 C CG . LEU A 1 217 ? 5.690 -19.510 29.902 1.00 21.58 ? 349 LEU A CG 1 ATOM 1646 C CD1 . LEU A 1 217 ? 6.502 -20.612 30.562 1.00 25.91 ? 349 LEU A CD1 1 ATOM 1647 C CD2 . LEU A 1 217 ? 6.607 -18.515 29.208 1.00 20.11 ? 349 LEU A CD2 1 ATOM 1648 N N . LYS A 1 218 ? 1.881 -20.381 27.305 1.00 24.49 ? 350 LYS A N 1 ATOM 1649 C CA . LYS A 1 218 ? 1.086 -20.932 26.210 1.00 26.18 ? 350 LYS A CA 1 ATOM 1650 C C . LYS A 1 218 ? 0.599 -19.843 25.262 1.00 29.08 ? 350 LYS A C 1 ATOM 1651 O O . LYS A 1 218 ? 0.581 -20.031 24.047 1.00 28.01 ? 350 LYS A O 1 ATOM 1652 C CB . LYS A 1 218 ? -0.115 -21.710 26.750 1.00 30.23 ? 350 LYS A CB 1 ATOM 1653 C CG . LYS A 1 218 ? 0.118 -23.201 26.896 1.00 32.17 ? 350 LYS A CG 1 ATOM 1654 C CD . LYS A 1 218 ? -1.182 -23.920 27.213 1.00 33.34 ? 350 LYS A CD 1 ATOM 1655 C CE . LYS A 1 218 ? -1.010 -25.425 27.139 1.00 42.55 ? 350 LYS A CE 1 ATOM 1656 N NZ . LYS A 1 218 ? 0.051 -25.901 28.065 1.00 54.48 ? 350 LYS A NZ 1 ATOM 1657 N N . GLU A 1 219 ? 0.204 -18.706 25.824 1.00 26.46 ? 351 GLU A N 1 ATOM 1658 C CA . GLU A 1 219 ? -0.291 -17.589 25.028 1.00 26.47 ? 351 GLU A CA 1 ATOM 1659 C C . GLU A 1 219 ? 0.798 -17.026 24.122 1.00 29.81 ? 351 GLU A C 1 ATOM 1660 O O . GLU A 1 219 ? 0.509 -16.454 23.072 1.00 30.41 ? 351 GLU A O 1 ATOM 1661 C CB . GLU A 1 219 ? -0.830 -16.481 25.936 1.00 30.87 ? 351 GLU A CB 1 ATOM 1662 C CG . GLU A 1 219 ? -2.006 -16.901 26.799 1.00 36.15 ? 351 GLU A CG 1 ATOM 1663 C CD . GLU A 1 219 ? -2.508 -15.775 27.682 1.00 48.64 ? 351 GLU A CD 1 ATOM 1664 O OE1 . GLU A 1 219 ? -1.937 -14.666 27.615 1.00 47.12 ? 351 GLU A OE1 1 ATOM 1665 O OE2 . GLU A 1 219 ? -3.472 -16.000 28.444 1.00 52.53 ? 351 GLU A OE2 1 ATOM 1666 N N . HIS A 1 220 ? 2.049 -17.195 24.534 1.00 24.06 ? 352 HIS A N 1 ATOM 1667 C CA . HIS A 1 220 ? 3.179 -16.659 23.786 1.00 26.06 ? 352 HIS A CA 1 ATOM 1668 C C . HIS A 1 220 ? 3.827 -17.694 22.874 1.00 24.56 ? 352 HIS A C 1 ATOM 1669 O O . HIS A 1 220 ? 4.591 -17.344 21.976 1.00 24.36 ? 352 HIS A O 1 ATOM 1670 C CB . HIS A 1 220 ? 4.225 -16.084 24.744 1.00 22.92 ? 352 HIS A CB 1 ATOM 1671 C CG . HIS A 1 220 ? 3.787 -14.830 25.432 1.00 24.45 ? 352 HIS A CG 1 ATOM 1672 N ND1 . HIS A 1 220 ? 4.032 -13.575 24.917 1.00 32.60 ? 352 HIS A ND1 1 ATOM 1673 C CD2 . HIS A 1 220 ? 3.116 -14.636 26.592 1.00 25.78 ? 352 HIS A CD2 1 ATOM 1674 C CE1 . HIS A 1 220 ? 3.534 -12.662 25.732 1.00 38.79 ? 352 HIS A CE1 1 ATOM 1675 N NE2 . HIS A 1 220 ? 2.973 -13.279 26.757 1.00 28.43 ? 352 HIS A NE2 1 ATOM 1676 N N . PHE A 1 221 ? 3.527 -18.969 23.106 1.00 21.39 ? 353 PHE A N 1 ATOM 1677 C CA . PHE A 1 221 ? 4.122 -20.034 22.303 1.00 22.63 ? 353 PHE A CA 1 ATOM 1678 C C . PHE A 1 221 ? 3.097 -20.896 21.567 1.00 23.57 ? 353 PHE A C 1 ATOM 1679 O O . PHE A 1 221 ? 3.238 -22.117 21.494 1.00 24.44 ? 353 PHE A O 1 ATOM 1680 C CB . PHE A 1 221 ? 5.059 -20.896 23.155 1.00 21.49 ? 353 PHE A CB 1 ATOM 1681 C CG . PHE A 1 221 ? 6.348 -20.210 23.507 1.00 25.39 ? 353 PHE A CG 1 ATOM 1682 C CD1 . PHE A 1 221 ? 7.423 -20.240 22.634 1.00 27.64 ? 353 PHE A CD1 1 ATOM 1683 C CD2 . PHE A 1 221 ? 6.481 -19.523 24.703 1.00 23.11 ? 353 PHE A CD2 1 ATOM 1684 C CE1 . PHE A 1 221 ? 8.608 -19.605 22.949 1.00 29.67 ? 353 PHE A CE1 1 ATOM 1685 C CE2 . PHE A 1 221 ? 7.666 -18.887 25.026 1.00 23.72 ? 353 PHE A CE2 1 ATOM 1686 C CZ . PHE A 1 221 ? 8.731 -18.927 24.147 1.00 24.48 ? 353 PHE A CZ 1 ATOM 1687 N N . ASN A 1 222 ? 2.070 -20.246 21.024 1.00 21.42 ? 354 ASN A N 1 ATOM 1688 C CA . ASN A 1 222 ? 1.110 -20.894 20.131 1.00 22.57 ? 354 ASN A CA 1 ATOM 1689 C C . ASN A 1 222 ? 0.447 -22.140 20.722 1.00 22.99 ? 354 ASN A C 1 ATOM 1690 O O . ASN A 1 222 ? 0.169 -23.101 20.003 1.00 23.94 ? 354 ASN A O 1 ATOM 1691 C CB . ASN A 1 222 ? 1.783 -21.239 18.799 1.00 26.25 ? 354 ASN A CB 1 ATOM 1692 C CG . ASN A 1 222 ? 0.824 -21.180 17.628 1.00 28.38 ? 354 ASN A CG 1 ATOM 1693 O OD1 . ASN A 1 222 ? -0.108 -20.376 17.616 1.00 26.59 ? 354 ASN A OD1 1 ATOM 1694 N ND2 . ASN A 1 222 ? 1.049 -22.031 16.634 1.00 25.40 ? 354 ASN A ND2 1 ATOM 1695 N N . ASN A 1 223 ? 0.209 -22.109 22.033 1.00 22.40 ? 355 ASN A N 1 ATOM 1696 C CA . ASN A 1 223 ? -0.414 -23.216 22.763 1.00 22.86 ? 355 ASN A CA 1 ATOM 1697 C C . ASN A 1 223 ? 0.360 -24.528 22.759 1.00 23.04 ? 355 ASN A C 1 ATOM 1698 O O . ASN A 1 223 ? -0.230 -25.597 22.925 1.00 24.12 ? 355 ASN A O 1 ATOM 1699 C CB . ASN A 1 223 ? -1.846 -23.465 22.286 1.00 24.07 ? 355 ASN A CB 1 ATOM 1700 C CG . ASN A 1 223 ? -2.788 -22.361 22.683 1.00 43.07 ? 355 ASN A CG 1 ATOM 1701 O OD1 . ASN A 1 223 ? -2.684 -21.799 23.775 1.00 30.19 ? 355 ASN A OD1 1 ATOM 1702 N ND2 . ASN A 1 223 ? -3.715 -22.034 21.794 1.00 52.83 ? 355 ASN A ND2 1 ATOM 1703 N N . LYS A 1 224 ? 1.673 -24.454 22.572 1.00 22.42 ? 357 LYS A N 1 ATOM 1704 C CA . LYS A 1 224 ? 2.501 -25.646 22.681 1.00 22.61 ? 357 LYS A CA 1 ATOM 1705 C C . LYS A 1 224 ? 2.525 -26.102 24.136 1.00 22.14 ? 357 LYS A C 1 ATOM 1706 O O . LYS A 1 224 ? 2.211 -25.329 25.040 1.00 22.70 ? 357 LYS A O 1 ATOM 1707 C CB . LYS A 1 224 ? 3.920 -25.382 22.169 1.00 22.17 ? 357 LYS A CB 1 ATOM 1708 C CG . LYS A 1 224 ? 3.998 -25.141 20.665 1.00 23.73 ? 357 LYS A CG 1 ATOM 1709 C CD . LYS A 1 224 ? 5.435 -24.992 20.189 1.00 30.32 ? 357 LYS A CD 1 ATOM 1710 C CE . LYS A 1 224 ? 6.210 -26.288 20.358 1.00 29.32 ? 357 LYS A CE 1 ATOM 1711 N NZ . LYS A 1 224 ? 7.544 -26.236 19.695 1.00 31.14 ? 357 LYS A NZ 1 ATOM 1712 N N . THR A 1 225 ? 2.882 -27.362 24.354 1.00 22.64 ? 358 THR A N 1 ATOM 1713 C CA . THR A 1 225 ? 2.955 -27.910 25.702 1.00 25.48 ? 358 THR A CA 1 ATOM 1714 C C . THR A 1 225 ? 4.180 -27.364 26.428 1.00 23.99 ? 358 THR A C 1 ATOM 1715 O O . THR A 1 225 ? 5.292 -27.399 25.901 1.00 26.13 ? 358 THR A O 1 ATOM 1716 C CB . THR A 1 225 ? 2.996 -29.450 25.677 1.00 30.77 ? 358 THR A CB 1 ATOM 1717 O OG1 . THR A 1 225 ? 1.839 -29.945 24.991 1.00 33.54 ? 358 THR A OG1 1 ATOM 1718 C CG2 . THR A 1 225 ? 3.021 -30.012 27.090 1.00 29.23 ? 358 THR A CG2 1 ATOM 1719 N N . ILE A 1 226 ? 3.964 -26.852 27.637 1.00 21.04 ? 359 ILE A N 1 ATOM 1720 C CA . ILE A 1 226 ? 5.019 -26.205 28.408 1.00 22.67 ? 359 ILE A CA 1 ATOM 1721 C C . ILE A 1 226 ? 5.584 -27.147 29.469 1.00 21.44 ? 359 ILE A C 1 ATOM 1722 O O . ILE A 1 226 ? 4.849 -27.656 30.314 1.00 25.45 ? 359 ILE A O 1 ATOM 1723 C CB . ILE A 1 226 ? 4.501 -24.926 29.094 1.00 25.08 ? 359 ILE A CB 1 ATOM 1724 C CG1 . ILE A 1 226 ? 3.821 -24.008 28.074 1.00 26.44 ? 359 ILE A CG1 1 ATOM 1725 C CG2 . ILE A 1 226 ? 5.634 -24.202 29.805 1.00 23.01 ? 359 ILE A CG2 1 ATOM 1726 C CD1 . ILE A 1 226 ? 4.743 -23.525 26.972 1.00 19.92 ? 359 ILE A CD1 1 ATOM 1727 N N . ILE A 1 227 ? 6.892 -27.373 29.417 1.00 19.09 ? 360 ILE A N 1 ATOM 1728 C CA . ILE A 1 227 ? 7.550 -28.294 30.338 1.00 23.95 ? 360 ILE A CA 1 ATOM 1729 C C . ILE A 1 227 ? 8.728 -27.625 31.039 1.00 27.50 ? 360 ILE A C 1 ATOM 1730 O O . ILE A 1 227 ? 9.501 -26.899 30.414 1.00 25.99 ? 360 ILE A O 1 ATOM 1731 C CB . ILE A 1 227 ? 8.061 -29.549 29.601 1.00 26.43 ? 360 ILE A CB 1 ATOM 1732 C CG1 . ILE A 1 227 ? 6.918 -30.235 28.851 1.00 29.81 ? 360 ILE A CG1 1 ATOM 1733 C CG2 . ILE A 1 227 ? 8.717 -30.521 30.572 1.00 30.75 ? 360 ILE A CG2 1 ATOM 1734 C CD1 . ILE A 1 227 ? 7.336 -31.504 28.154 1.00 43.25 ? 360 ILE A CD1 1 ATOM 1735 N N . PHE A 1 228 ? 8.860 -27.865 32.340 1.00 26.20 ? 361 PHE A N 1 ATOM 1736 C CA . PHE A 1 228 ? 10.014 -27.381 33.088 1.00 29.38 ? 361 PHE A CA 1 ATOM 1737 C C . PHE A 1 228 ? 11.026 -28.496 33.324 1.00 30.42 ? 361 PHE A C 1 ATOM 1738 O O . PHE A 1 228 ? 10.657 -29.656 33.510 1.00 29.12 ? 361 PHE A O 1 ATOM 1739 C CB . PHE A 1 228 ? 9.586 -26.777 34.426 1.00 24.79 ? 361 PHE A CB 1 ATOM 1740 C CG . PHE A 1 228 ? 8.813 -25.499 34.292 1.00 20.11 ? 361 PHE A CG 1 ATOM 1741 C CD1 . PHE A 1 228 ? 9.461 -24.314 33.984 1.00 24.41 ? 361 PHE A CD1 1 ATOM 1742 C CD2 . PHE A 1 228 ? 7.443 -25.480 34.480 1.00 29.59 ? 361 PHE A CD2 1 ATOM 1743 C CE1 . PHE A 1 228 ? 8.753 -23.134 33.861 1.00 29.82 ? 361 PHE A CE1 1 ATOM 1744 C CE2 . PHE A 1 228 ? 6.731 -24.303 34.359 1.00 36.28 ? 361 PHE A CE2 1 ATOM 1745 C CZ . PHE A 1 228 ? 7.386 -23.129 34.048 1.00 32.28 ? 361 PHE A CZ 1 ATOM 1746 N N . GLN A 1 229 ? 12.303 -28.132 33.309 1.00 31.87 ? 362 GLN A N 1 ATOM 1747 C CA . GLN A 1 229 ? 13.388 -29.068 33.575 1.00 29.39 ? 362 GLN A CA 1 ATOM 1748 C C . GLN A 1 229 ? 14.505 -28.354 34.326 1.00 31.47 ? 362 GLN A C 1 ATOM 1749 O O . GLN A 1 229 ? 14.658 -27.141 34.198 1.00 22.03 ? 362 GLN A O 1 ATOM 1750 C CB . GLN A 1 229 ? 13.927 -29.651 32.267 1.00 34.22 ? 362 GLN A CB 1 ATOM 1751 C CG . GLN A 1 229 ? 13.071 -30.759 31.675 1.00 39.19 ? 362 GLN A CG 1 ATOM 1752 C CD . GLN A 1 229 ? 12.991 -31.973 32.580 1.00 43.93 ? 362 GLN A CD 1 ATOM 1753 O OE1 . GLN A 1 229 ? 13.922 -32.775 32.646 1.00 45.12 ? 362 GLN A OE1 1 ATOM 1754 N NE2 . GLN A 1 229 ? 11.876 -32.110 33.288 1.00 46.67 ? 362 GLN A NE2 1 ATOM 1755 N N . PRO A 1 230 ? 15.279 -29.100 35.130 1.00 32.22 ? 363 PRO A N 1 ATOM 1756 C CA . PRO A 1 230 ? 16.441 -28.516 35.808 1.00 28.68 ? 363 PRO A CA 1 ATOM 1757 C C . PRO A 1 230 ? 17.501 -28.103 34.792 1.00 26.06 ? 363 PRO A C 1 ATOM 1758 O O . PRO A 1 230 ? 17.545 -28.684 33.707 1.00 35.48 ? 363 PRO A O 1 ATOM 1759 C CB . PRO A 1 230 ? 16.961 -29.674 36.669 1.00 31.95 ? 363 PRO A CB 1 ATOM 1760 C CG . PRO A 1 230 ? 15.790 -30.586 36.836 1.00 34.50 ? 363 PRO A CG 1 ATOM 1761 C CD . PRO A 1 230 ? 15.044 -30.494 35.542 1.00 34.57 ? 363 PRO A CD 1 ATOM 1762 N N . PRO A 1 231 ? 18.338 -27.110 35.136 1.00 28.90 ? 364 PRO A N 1 ATOM 1763 C CA . PRO A 1 231 ? 19.408 -26.631 34.253 1.00 35.87 ? 364 PRO A CA 1 ATOM 1764 C C . PRO A 1 231 ? 20.306 -27.768 33.775 1.00 41.12 ? 364 PRO A C 1 ATOM 1765 O O . PRO A 1 231 ? 20.591 -28.690 34.540 1.00 40.01 ? 364 PRO A O 1 ATOM 1766 C CB . PRO A 1 231 ? 20.198 -25.679 35.153 1.00 34.79 ? 364 PRO A CB 1 ATOM 1767 C CG . PRO A 1 231 ? 19.200 -25.191 36.137 1.00 28.38 ? 364 PRO A CG 1 ATOM 1768 C CD . PRO A 1 231 ? 18.290 -26.355 36.400 1.00 25.77 ? 364 PRO A CD 1 ATOM 1769 N N . SER A 1 232 ? 20.736 -27.698 32.519 1.00 51.39 ? 365 SER A N 1 ATOM 1770 C CA . SER A 1 232 ? 21.544 -28.755 31.920 1.00 63.30 ? 365 SER A CA 1 ATOM 1771 C C . SER A 1 232 ? 22.917 -28.860 32.574 1.00 61.49 ? 365 SER A C 1 ATOM 1772 O O . SER A 1 232 ? 23.385 -29.955 32.885 1.00 65.36 ? 365 SER A O 1 ATOM 1773 C CB . SER A 1 232 ? 21.697 -28.520 30.415 1.00 68.18 ? 365 SER A CB 1 ATOM 1774 O OG . SER A 1 232 ? 22.312 -27.270 30.155 1.00 72.16 ? 365 SER A OG 1 ATOM 1775 N N . GLY A 1 233 ? 23.557 -27.714 32.779 1.00 50.98 ? 366 GLY A N 1 ATOM 1776 C CA . GLY A 1 233 ? 24.876 -27.675 33.380 1.00 52.88 ? 366 GLY A CA 1 ATOM 1777 C C . GLY A 1 233 ? 25.390 -26.257 33.520 1.00 52.72 ? 366 GLY A C 1 ATOM 1778 O O . GLY A 1 233 ? 24.626 -25.297 33.420 1.00 51.85 ? 366 GLY A O 1 ATOM 1779 N N . GLY A 1 234 ? 26.691 -26.124 33.750 1.00 54.41 ? 367 GLY A N 1 ATOM 1780 C CA . GLY A 1 234 ? 27.303 -24.821 33.920 1.00 50.09 ? 367 GLY A CA 1 ATOM 1781 C C . GLY A 1 234 ? 27.725 -24.577 35.354 1.00 44.01 ? 367 GLY A C 1 ATOM 1782 O O . GLY A 1 234 ? 27.775 -25.505 36.162 1.00 44.37 ? 367 GLY A O 1 ATOM 1783 N N . ASP A 1 235 ? 28.028 -23.323 35.672 1.00 40.62 ? 368 ASP A N 1 ATOM 1784 C CA . ASP A 1 235 ? 28.459 -22.956 37.015 1.00 38.96 ? 368 ASP A CA 1 ATOM 1785 C C . ASP A 1 235 ? 27.347 -23.161 38.039 1.00 36.01 ? 368 ASP A C 1 ATOM 1786 O O . ASP A 1 235 ? 26.164 -23.167 37.692 1.00 29.68 ? 368 ASP A O 1 ATOM 1787 C CB . ASP A 1 235 ? 28.949 -21.506 37.046 1.00 46.92 ? 368 ASP A CB 1 ATOM 1788 C CG . ASP A 1 235 ? 30.240 -21.311 36.275 1.00 62.00 ? 368 ASP A CG 1 ATOM 1789 O OD1 . ASP A 1 235 ? 31.067 -22.247 36.251 1.00 66.10 ? 368 ASP A OD1 1 ATOM 1790 O OD2 . ASP A 1 235 ? 30.429 -20.222 35.694 1.00 65.84 ? 368 ASP A OD2 1 ATOM 1791 N N . LEU A 1 236 ? 27.739 -23.331 39.299 1.00 27.60 ? 369 LEU A N 1 ATOM 1792 C CA . LEU A 1 236 ? 26.791 -23.550 40.387 1.00 30.22 ? 369 LEU A CA 1 ATOM 1793 C C . LEU A 1 236 ? 25.860 -22.359 40.565 1.00 36.48 ? 369 LEU A C 1 ATOM 1794 O O . LEU A 1 236 ? 24.716 -22.510 40.992 1.00 30.06 ? 369 LEU A O 1 ATOM 1795 C CB . LEU A 1 236 ? 27.533 -23.827 41.697 1.00 29.16 ? 369 LEU A CB 1 ATOM 1796 C CG . LEU A 1 236 ? 28.224 -25.184 41.821 1.00 38.30 ? 369 LEU A CG 1 ATOM 1797 C CD1 . LEU A 1 236 ? 28.971 -25.283 43.141 1.00 41.04 ? 369 LEU A CD1 1 ATOM 1798 C CD2 . LEU A 1 236 ? 27.208 -26.308 41.692 1.00 42.97 ? 369 LEU A CD2 1 ATOM 1799 N N . GLU A 1 237 ? 26.359 -21.174 40.230 1.00 32.54 ? 370 GLU A N 1 ATOM 1800 C CA . GLU A 1 237 ? 25.566 -19.957 40.337 1.00 43.85 ? 370 GLU A CA 1 ATOM 1801 C C . GLU A 1 237 ? 24.382 -19.982 39.375 1.00 42.52 ? 370 GLU A C 1 ATOM 1802 O O . GLU A 1 237 ? 23.401 -19.272 39.574 1.00 54.84 ? 370 GLU A O 1 ATOM 1803 C CB . GLU A 1 237 ? 26.433 -18.720 40.081 1.00 39.72 ? 370 GLU A CB 1 ATOM 1804 C CG . GLU A 1 237 ? 27.496 -18.461 41.143 1.00 43.91 ? 370 GLU A CG 1 ATOM 1805 C CD . GLU A 1 237 ? 28.721 -19.345 40.989 1.00 42.75 ? 370 GLU A CD 1 ATOM 1806 O OE1 . GLU A 1 237 ? 28.897 -19.937 39.904 1.00 46.61 ? 370 GLU A OE1 1 ATOM 1807 O OE2 . GLU A 1 237 ? 29.508 -19.446 41.954 1.00 36.74 ? 370 GLU A OE2 1 ATOM 1808 N N . ILE A 1 238 ? 24.474 -20.812 38.341 1.00 40.20 ? 371 ILE A N 1 ATOM 1809 C CA . ILE A 1 238 ? 23.431 -20.892 37.324 1.00 38.68 ? 371 ILE A CA 1 ATOM 1810 C C . ILE A 1 238 ? 22.522 -22.105 37.522 1.00 37.23 ? 371 ILE A C 1 ATOM 1811 O O . ILE A 1 238 ? 21.310 -22.027 37.311 1.00 27.75 ? 371 ILE A O 1 ATOM 1812 C CB . ILE A 1 238 ? 24.039 -20.941 35.908 1.00 56.56 ? 371 ILE A CB 1 ATOM 1813 C CG1 . ILE A 1 238 ? 25.063 -19.818 35.730 1.00 63.71 ? 371 ILE A CG1 1 ATOM 1814 C CG2 . ILE A 1 238 ? 22.950 -20.853 34.849 1.00 61.76 ? 371 ILE A CG2 1 ATOM 1815 C CD1 . ILE A 1 238 ? 24.499 -18.435 35.964 1.00 63.74 ? 371 ILE A CD1 1 ATOM 1816 N N . THR A 1 239 ? 23.109 -23.226 37.929 1.00 22.84 ? 372 THR A N 1 ATOM 1817 C CA . THR A 1 239 ? 22.347 -24.458 38.103 1.00 20.31 ? 372 THR A CA 1 ATOM 1818 C C . THR A 1 239 ? 21.563 -24.464 39.412 1.00 21.72 ? 372 THR A C 1 ATOM 1819 O O . THR A 1 239 ? 20.654 -25.274 39.599 1.00 25.87 ? 372 THR A O 1 ATOM 1820 C CB . THR A 1 239 ? 23.253 -25.703 38.042 1.00 30.42 ? 372 THR A CB 1 ATOM 1821 O OG1 . THR A 1 239 ? 24.251 -25.624 39.068 1.00 24.12 ? 372 THR A OG1 1 ATOM 1822 C CG2 . THR A 1 239 ? 23.935 -25.798 36.687 1.00 36.07 ? 372 THR A CG2 1 ATOM 1823 N N . MET A 1 240 ? 21.918 -23.557 40.315 1.00 21.80 ? 373 MET A N 1 ATOM 1824 C CA . MET A 1 240 ? 21.239 -23.456 41.600 1.00 22.00 ? 373 MET A CA 1 ATOM 1825 C C . MET A 1 240 ? 20.692 -22.052 41.816 1.00 21.05 ? 373 MET A C 1 ATOM 1826 O O . MET A 1 240 ? 21.134 -21.098 41.175 1.00 21.53 ? 373 MET A O 1 ATOM 1827 C CB . MET A 1 240 ? 22.195 -23.815 42.738 1.00 20.54 ? 373 MET A CB 1 ATOM 1828 C CG . MET A 1 240 ? 22.900 -25.147 42.555 1.00 29.47 ? 373 MET A CG 1 ATOM 1829 S SD . MET A 1 240 ? 23.948 -25.574 43.954 1.00 39.40 ? 373 MET A SD 1 ATOM 1830 C CE . MET A 1 240 ? 22.713 -25.999 45.179 1.00 37.30 ? 373 MET A CE 1 ATOM 1831 N N . HIS A 1 241 ? 19.721 -21.935 42.715 1.00 17.67 ? 374 HIS A N 1 ATOM 1832 C CA . HIS A 1 241 ? 19.230 -20.635 43.145 1.00 15.60 ? 374 HIS A CA 1 ATOM 1833 C C . HIS A 1 241 ? 20.235 -20.059 44.128 1.00 21.53 ? 374 HIS A C 1 ATOM 1834 O O . HIS A 1 241 ? 20.337 -20.520 45.265 1.00 24.60 ? 374 HIS A O 1 ATOM 1835 C CB . HIS A 1 241 ? 17.857 -20.769 43.808 1.00 15.41 ? 374 HIS A CB 1 ATOM 1836 C CG . HIS A 1 241 ? 17.385 -19.523 44.494 1.00 16.61 ? 374 HIS A CG 1 ATOM 1837 N ND1 . HIS A 1 241 ? 17.540 -18.266 43.951 1.00 16.41 ? 374 HIS A ND1 1 ATOM 1838 C CD2 . HIS A 1 241 ? 16.755 -19.345 45.680 1.00 17.43 ? 374 HIS A CD2 1 ATOM 1839 C CE1 . HIS A 1 241 ? 17.031 -17.367 44.774 1.00 16.86 ? 374 HIS A CE1 1 ATOM 1840 N NE2 . HIS A 1 241 ? 16.547 -17.995 45.830 1.00 20.22 ? 374 HIS A NE2 1 ATOM 1841 N N . SER A 1 242 ? 20.994 -19.066 43.680 1.00 18.52 ? 375 SER A N 1 ATOM 1842 C CA . SER A 1 242 ? 21.986 -18.436 44.538 1.00 18.31 ? 375 SER A CA 1 ATOM 1843 C C . SER A 1 242 ? 21.515 -17.055 44.967 1.00 24.49 ? 375 SER A C 1 ATOM 1844 O O . SER A 1 242 ? 20.894 -16.328 44.194 1.00 20.94 ? 375 SER A O 1 ATOM 1845 C CB . SER A 1 242 ? 23.345 -18.351 43.840 1.00 20.64 ? 375 SER A CB 1 ATOM 1846 O OG . SER A 1 242 ? 23.306 -17.455 42.746 1.00 30.00 ? 375 SER A OG 1 ATOM 1847 N N . PHE A 1 243 ? 21.805 -16.707 46.213 1.00 18.74 ? 376 PHE A N 1 ATOM 1848 C CA . PHE A 1 243 ? 21.419 -15.414 46.758 1.00 17.68 ? 376 PHE A CA 1 ATOM 1849 C C . PHE A 1 243 ? 22.255 -15.125 47.991 1.00 23.60 ? 376 PHE A C 1 ATOM 1850 O O . PHE A 1 243 ? 22.985 -15.992 48.471 1.00 22.23 ? 376 PHE A O 1 ATOM 1851 C CB . PHE A 1 243 ? 19.925 -15.386 47.101 1.00 19.14 ? 376 PHE A CB 1 ATOM 1852 C CG . PHE A 1 243 ? 19.505 -16.432 48.099 1.00 25.57 ? 376 PHE A CG 1 ATOM 1853 C CD1 . PHE A 1 243 ? 19.243 -17.732 47.694 1.00 25.82 ? 376 PHE A CD1 1 ATOM 1854 C CD2 . PHE A 1 243 ? 19.355 -16.111 49.440 1.00 27.25 ? 376 PHE A CD2 1 ATOM 1855 C CE1 . PHE A 1 243 ? 18.853 -18.693 48.606 1.00 24.42 ? 376 PHE A CE1 1 ATOM 1856 C CE2 . PHE A 1 243 ? 18.964 -17.069 50.358 1.00 27.80 ? 376 PHE A CE2 1 ATOM 1857 C CZ . PHE A 1 243 ? 18.710 -18.361 49.939 1.00 27.61 ? 376 PHE A CZ 1 ATOM 1858 N N . ASN A 1 244 ? 22.156 -13.904 48.500 1.00 18.83 ? 377 ASN A N 1 ATOM 1859 C CA . ASN A 1 244 ? 22.914 -13.531 49.684 1.00 21.64 ? 377 ASN A CA 1 ATOM 1860 C C . ASN A 1 244 ? 22.002 -13.232 50.866 1.00 18.20 ? 377 ASN A C 1 ATOM 1861 O O . ASN A 1 244 ? 21.136 -12.358 50.796 1.00 23.58 ? 377 ASN A O 1 ATOM 1862 C CB . ASN A 1 244 ? 23.831 -12.342 49.393 1.00 22.95 ? 377 ASN A CB 1 ATOM 1863 C CG . ASN A 1 244 ? 24.831 -12.097 50.506 1.00 24.75 ? 377 ASN A CG 1 ATOM 1864 O OD1 . ASN A 1 244 ? 24.471 -11.617 51.578 1.00 23.32 ? 377 ASN A OD1 1 ATOM 1865 N ND2 . ASN A 1 244 ? 26.093 -12.430 50.257 1.00 26.27 ? 377 ASN A ND2 1 ATOM 1866 N N . CYS A 1 245 ? 22.202 -13.971 51.950 1.00 22.15 ? 378 CYS A N 1 ATOM 1867 C CA . CYS A 1 245 ? 21.413 -13.797 53.160 1.00 22.92 ? 378 CYS A CA 1 ATOM 1868 C C . CYS A 1 245 ? 22.317 -13.402 54.323 1.00 23.35 ? 378 CYS A C 1 ATOM 1869 O O . CYS A 1 245 ? 23.178 -14.178 54.735 1.00 19.16 ? 378 CYS A O 1 ATOM 1870 C CB . CYS A 1 245 ? 20.659 -15.088 53.487 1.00 28.96 ? 378 CYS A CB 1 ATOM 1871 S SG . CYS A 1 245 ? 19.709 -15.052 55.025 1.00 31.94 ? 378 CYS A SG 1 ATOM 1872 N N . ARG A 1 246 ? 22.118 -12.188 54.832 1.00 25.03 ? 379 ARG A N 1 ATOM 1873 C CA . ARG A 1 246 ? 22.884 -11.661 55.965 1.00 26.61 ? 379 ARG A CA 1 ATOM 1874 C C . ARG A 1 246 ? 24.394 -11.652 55.717 1.00 28.79 ? 379 ARG A C 1 ATOM 1875 O O . ARG A 1 246 ? 25.182 -11.778 56.654 1.00 25.46 ? 379 ARG A O 1 ATOM 1876 C CB . ARG A 1 246 ? 22.574 -12.442 57.249 1.00 40.41 ? 379 ARG A CB 1 ATOM 1877 C CG . ARG A 1 246 ? 21.096 -12.707 57.486 1.00 47.47 ? 379 ARG A CG 1 ATOM 1878 C CD . ARG A 1 246 ? 20.298 -11.418 57.536 1.00 60.87 ? 379 ARG A CD 1 ATOM 1879 N NE . ARG A 1 246 ? 18.861 -11.672 57.501 1.00 72.88 ? 379 ARG A NE 1 ATOM 1880 C CZ . ARG A 1 246 ? 17.934 -10.720 57.486 1.00 68.97 ? 379 ARG A CZ 1 ATOM 1881 N NH1 . ARG A 1 246 ? 18.293 -9.443 57.505 1.00 58.60 ? 379 ARG A NH1 1 ATOM 1882 N NH2 . ARG A 1 246 ? 16.649 -11.044 57.451 1.00 66.61 ? 379 ARG A NH2 1 ATOM 1883 N N . GLY A 1 247 ? 24.794 -11.503 54.458 1.00 19.36 ? 380 GLY A N 1 ATOM 1884 C CA . GLY A 1 247 ? 26.204 -11.500 54.108 1.00 20.87 ? 380 GLY A CA 1 ATOM 1885 C C . GLY A 1 247 ? 26.713 -12.855 53.654 1.00 23.44 ? 380 GLY A C 1 ATOM 1886 O O . GLY A 1 247 ? 27.810 -12.960 53.106 1.00 24.89 ? 380 GLY A O 1 ATOM 1887 N N . GLU A 1 248 ? 25.917 -13.897 53.880 1.00 21.92 ? 381 GLU A N 1 ATOM 1888 C CA . GLU A 1 248 ? 26.318 -15.257 53.531 1.00 21.75 ? 381 GLU A CA 1 ATOM 1889 C C . GLU A 1 248 ? 25.759 -15.671 52.172 1.00 22.76 ? 381 GLU A C 1 ATOM 1890 O O . GLU A 1 248 ? 24.601 -15.396 51.858 1.00 21.40 ? 381 GLU A O 1 ATOM 1891 C CB . GLU A 1 248 ? 25.850 -16.242 54.604 1.00 22.24 ? 381 GLU A CB 1 ATOM 1892 C CG . GLU A 1 248 ? 26.072 -15.773 56.038 1.00 21.40 ? 381 GLU A CG 1 ATOM 1893 C CD . GLU A 1 248 ? 27.532 -15.791 56.453 1.00 27.38 ? 381 GLU A CD 1 ATOM 1894 O OE1 . GLU A 1 248 ? 28.368 -16.319 55.690 1.00 33.16 ? 381 GLU A OE1 1 ATOM 1895 O OE2 . GLU A 1 248 ? 27.842 -15.282 57.552 1.00 29.81 ? 381 GLU A OE2 1 ATOM 1896 N N . PHE A 1 249 ? 26.583 -16.340 51.371 1.00 22.41 ? 382 PHE A N 1 ATOM 1897 C CA . PHE A 1 249 ? 26.163 -16.784 50.045 1.00 25.82 ? 382 PHE A CA 1 ATOM 1898 C C . PHE A 1 249 ? 25.475 -18.144 50.095 1.00 22.06 ? 382 PHE A C 1 ATOM 1899 O O . PHE A 1 249 ? 26.102 -19.156 50.402 1.00 21.42 ? 382 PHE A O 1 ATOM 1900 C CB . PHE A 1 249 ? 27.356 -16.834 49.088 1.00 23.22 ? 382 PHE A CB 1 ATOM 1901 C CG . PHE A 1 249 ? 27.923 -15.483 48.757 1.00 24.47 ? 382 PHE A CG 1 ATOM 1902 C CD1 . PHE A 1 249 ? 27.424 -14.750 47.692 1.00 30.60 ? 382 PHE A CD1 1 ATOM 1903 C CD2 . PHE A 1 249 ? 28.954 -14.947 49.509 1.00 22.06 ? 382 PHE A CD2 1 ATOM 1904 C CE1 . PHE A 1 249 ? 27.943 -13.506 47.385 1.00 28.70 ? 382 PHE A CE1 1 ATOM 1905 C CE2 . PHE A 1 249 ? 29.478 -13.703 49.207 1.00 28.03 ? 382 PHE A CE2 1 ATOM 1906 C CZ . PHE A 1 249 ? 28.972 -12.983 48.142 1.00 32.98 ? 382 PHE A CZ 1 ATOM 1907 N N . PHE A 1 250 ? 24.180 -18.156 49.791 1.00 19.72 ? 383 PHE A N 1 ATOM 1908 C CA . PHE A 1 250 ? 23.401 -19.387 49.783 1.00 16.22 ? 383 PHE A CA 1 ATOM 1909 C C . PHE A 1 250 ? 23.273 -19.939 48.368 1.00 22.57 ? 383 PHE A C 1 ATOM 1910 O O . PHE A 1 250 ? 23.089 -19.185 47.414 1.00 23.24 ? 383 PHE A O 1 ATOM 1911 C CB . PHE A 1 250 ? 22.002 -19.137 50.350 1.00 20.78 ? 383 PHE A CB 1 ATOM 1912 C CG . PHE A 1 250 ? 21.938 -19.128 51.852 1.00 23.91 ? 383 PHE A CG 1 ATOM 1913 C CD1 . PHE A 1 250 ? 22.568 -18.135 52.584 1.00 23.10 ? 383 PHE A CD1 1 ATOM 1914 C CD2 . PHE A 1 250 ? 21.223 -20.102 52.530 1.00 29.89 ? 383 PHE A CD2 1 ATOM 1915 C CE1 . PHE A 1 250 ? 22.499 -18.124 53.967 1.00 24.88 ? 383 PHE A CE1 1 ATOM 1916 C CE2 . PHE A 1 250 ? 21.150 -20.096 53.911 1.00 32.42 ? 383 PHE A CE2 1 ATOM 1917 C CZ . PHE A 1 250 ? 21.789 -19.105 54.630 1.00 26.95 ? 383 PHE A CZ 1 ATOM 1918 N N . TYR A 1 251 ? 23.370 -21.259 48.245 1.00 19.82 ? 384 TYR A N 1 ATOM 1919 C CA . TYR A 1 251 ? 23.166 -21.948 46.974 1.00 15.90 ? 384 TYR A CA 1 ATOM 1920 C C . TYR A 1 251 ? 22.144 -23.060 47.179 1.00 23.05 ? 384 TYR A C 1 ATOM 1921 O O . TYR A 1 251 ? 22.410 -24.023 47.896 1.00 23.80 ? 384 TYR A O 1 ATOM 1922 C CB . TYR A 1 251 ? 24.480 -22.551 46.476 1.00 16.19 ? 384 TYR A CB 1 ATOM 1923 C CG . TYR A 1 251 ? 25.451 -21.549 45.896 1.00 25.80 ? 384 TYR A CG 1 ATOM 1924 C CD1 . TYR A 1 251 ? 26.171 -20.690 46.718 1.00 28.40 ? 384 TYR A CD1 1 ATOM 1925 C CD2 . TYR A 1 251 ? 25.659 -21.472 44.525 1.00 30.48 ? 384 TYR A CD2 1 ATOM 1926 C CE1 . TYR A 1 251 ? 27.063 -19.777 46.189 1.00 30.78 ? 384 TYR A CE1 1 ATOM 1927 C CE2 . TYR A 1 251 ? 26.549 -20.564 43.988 1.00 35.81 ? 384 TYR A CE2 1 ATOM 1928 C CZ . TYR A 1 251 ? 27.247 -19.719 44.823 1.00 43.75 ? 384 TYR A CZ 1 ATOM 1929 O OH . TYR A 1 251 ? 28.132 -18.814 44.289 1.00 51.83 ? 384 TYR A OH 1 ATOM 1930 N N . CYS A 1 252 ? 20.981 -22.934 46.548 1.00 16.84 ? 385 CYS A N 1 ATOM 1931 C CA . CYS A 1 252 ? 19.885 -23.868 46.800 1.00 18.94 ? 385 CYS A CA 1 ATOM 1932 C C . CYS A 1 252 ? 19.469 -24.665 45.568 1.00 21.13 ? 385 CYS A C 1 ATOM 1933 O O . CYS A 1 252 ? 19.371 -24.124 44.467 1.00 21.84 ? 385 CYS A O 1 ATOM 1934 C CB . CYS A 1 252 ? 18.679 -23.126 47.378 1.00 23.09 ? 385 CYS A CB 1 ATOM 1935 S SG . CYS A 1 252 ? 19.036 -22.242 48.911 1.00 29.81 ? 385 CYS A SG 1 ATOM 1936 N N . ASN A 1 253 ? 19.225 -25.956 45.773 1.00 20.81 ? 386 ASN A N 1 ATOM 1937 C CA . ASN A 1 253 ? 18.799 -26.859 44.711 1.00 23.22 ? 386 ASN A CA 1 ATOM 1938 C C . ASN A 1 253 ? 17.298 -26.733 44.460 1.00 22.33 ? 386 ASN A C 1 ATOM 1939 O O . ASN A 1 253 ? 16.489 -27.028 45.340 1.00 22.90 ? 386 ASN A O 1 ATOM 1940 C CB . ASN A 1 253 ? 19.156 -28.301 45.087 1.00 25.56 ? 386 ASN A CB 1 ATOM 1941 C CG . ASN A 1 253 ? 19.005 -29.271 43.926 1.00 28.82 ? 386 ASN A CG 1 ATOM 1942 O OD1 . ASN A 1 253 ? 18.040 -29.209 43.164 1.00 33.58 ? 386 ASN A OD1 1 ATOM 1943 N ND2 . ASN A 1 253 ? 19.970 -30.176 43.788 1.00 35.40 ? 386 ASN A ND2 1 ATOM 1944 N N . THR A 1 254 ? 16.929 -26.313 43.253 1.00 22.41 ? 387 THR A N 1 ATOM 1945 C CA . THR A 1 254 ? 15.529 -26.040 42.938 1.00 24.32 ? 387 THR A CA 1 ATOM 1946 C C . THR A 1 254 ? 14.858 -27.107 42.078 1.00 22.99 ? 387 THR A C 1 ATOM 1947 O O . THR A 1 254 ? 13.870 -26.823 41.403 1.00 21.93 ? 387 THR A O 1 ATOM 1948 C CB . THR A 1 254 ? 15.370 -24.683 42.230 1.00 22.08 ? 387 THR A CB 1 ATOM 1949 O OG1 . THR A 1 254 ? 16.180 -24.662 41.046 1.00 22.80 ? 387 THR A OG1 1 ATOM 1950 C CG2 . THR A 1 254 ? 15.792 -23.556 43.151 1.00 24.91 ? 387 THR A CG2 1 ATOM 1951 N N . THR A 1 255 ? 15.386 -28.327 42.110 1.00 25.03 ? 388 THR A N 1 ATOM 1952 C CA . THR A 1 255 ? 14.805 -29.434 41.353 1.00 28.12 ? 388 THR A CA 1 ATOM 1953 C C . THR A 1 255 ? 13.334 -29.653 41.713 1.00 29.96 ? 388 THR A C 1 ATOM 1954 O O . THR A 1 255 ? 12.504 -29.915 40.842 1.00 29.80 ? 388 THR A O 1 ATOM 1955 C CB . THR A 1 255 ? 15.602 -30.741 41.566 1.00 30.30 ? 388 THR A CB 1 ATOM 1956 O OG1 . THR A 1 255 ? 16.905 -30.605 40.987 1.00 39.23 ? 388 THR A OG1 1 ATOM 1957 C CG2 . THR A 1 255 ? 14.897 -31.924 40.921 1.00 30.32 ? 388 THR A CG2 1 ATOM 1958 N N . GLN A 1 256 ? 13.015 -29.516 42.997 1.00 22.29 ? 389 GLN A N 1 ATOM 1959 C CA . GLN A 1 256 ? 11.657 -29.746 43.484 1.00 27.96 ? 389 GLN A CA 1 ATOM 1960 C C . GLN A 1 256 ? 10.671 -28.650 43.079 1.00 24.29 ? 389 GLN A C 1 ATOM 1961 O O . GLN A 1 256 ? 9.467 -28.895 43.000 1.00 32.71 ? 389 GLN A O 1 ATOM 1962 C CB . GLN A 1 256 ? 11.649 -29.895 45.007 1.00 27.50 ? 389 GLN A CB 1 ATOM 1963 C CG . GLN A 1 256 ? 12.623 -30.926 45.542 1.00 40.13 ? 389 GLN A CG 1 ATOM 1964 C CD . GLN A 1 256 ? 12.498 -31.117 47.040 1.00 41.63 ? 389 GLN A CD 1 ATOM 1965 O OE1 . GLN A 1 256 ? 11.488 -31.621 47.535 1.00 35.96 ? 389 GLN A OE1 1 ATOM 1966 N NE2 . GLN A 1 256 ? 13.525 -30.705 47.772 1.00 37.41 ? 389 GLN A NE2 1 ATOM 1967 N N . LEU A 1 257 ? 11.176 -27.444 42.834 1.00 22.44 ? 390 LEU A N 1 ATOM 1968 C CA . LEU A 1 257 ? 10.310 -26.317 42.491 1.00 25.45 ? 390 LEU A CA 1 ATOM 1969 C C . LEU A 1 257 ? 9.712 -26.456 41.101 1.00 37.11 ? 390 LEU A C 1 ATOM 1970 O O . LEU A 1 257 ? 8.537 -26.163 40.885 1.00 45.82 ? 390 LEU A O 1 ATOM 1971 C CB . LEU A 1 257 ? 11.069 -24.994 42.584 1.00 24.94 ? 390 LEU A CB 1 ATOM 1972 C CG . LEU A 1 257 ? 11.353 -24.469 43.990 1.00 29.97 ? 390 LEU A CG 1 ATOM 1973 C CD1 . LEU A 1 257 ? 11.868 -23.041 43.920 1.00 30.79 ? 390 LEU A CD1 1 ATOM 1974 C CD2 . LEU A 1 257 ? 10.104 -24.555 44.854 1.00 34.21 ? 390 LEU A CD2 1 ATOM 1975 N N . PHE A 1 258 ? 10.531 -26.897 40.158 1.00 26.32 ? 391 PHE A N 1 ATOM 1976 C CA . PHE A 1 258 ? 10.093 -27.014 38.777 1.00 35.50 ? 391 PHE A CA 1 ATOM 1977 C C . PHE A 1 258 ? 9.738 -28.464 38.473 1.00 48.05 ? 391 PHE A C 1 ATOM 1978 O O . PHE A 1 258 ? 10.500 -29.200 37.847 1.00 43.50 ? 391 PHE A O 1 ATOM 1979 C CB . PHE A 1 258 ? 11.160 -26.445 37.843 1.00 29.56 ? 391 PHE A CB 1 ATOM 1980 C CG . PHE A 1 258 ? 11.532 -25.024 38.169 1.00 28.28 ? 391 PHE A CG 1 ATOM 1981 C CD1 . PHE A 1 258 ? 10.792 -23.967 37.665 1.00 31.62 ? 391 PHE A CD1 1 ATOM 1982 C CD2 . PHE A 1 258 ? 12.599 -24.746 39.010 1.00 24.98 ? 391 PHE A CD2 1 ATOM 1983 C CE1 . PHE A 1 258 ? 11.119 -22.660 37.975 1.00 27.60 ? 391 PHE A CE1 1 ATOM 1984 C CE2 . PHE A 1 258 ? 12.932 -23.442 39.325 1.00 24.02 ? 391 PHE A CE2 1 ATOM 1985 C CZ . PHE A 1 258 ? 12.191 -22.397 38.806 1.00 28.37 ? 391 PHE A CZ 1 ATOM 1986 N N . ASN A 1 259 ? 8.557 -28.853 38.943 1.00 49.08 ? 392 ASN A N 1 ATOM 1987 C CA . ASN A 1 259 ? 8.111 -30.238 38.934 1.00 60.23 ? 392 ASN A CA 1 ATOM 1988 C C . ASN A 1 259 ? 6.834 -30.383 38.118 1.00 58.78 ? 392 ASN A C 1 ATOM 1989 O O . ASN A 1 259 ? 5.741 -30.114 38.616 1.00 59.30 ? 392 ASN A O 1 ATOM 1990 C CB . ASN A 1 259 ? 7.857 -30.687 40.374 1.00 69.14 ? 392 ASN A CB 1 ATOM 1991 C CG . ASN A 1 259 ? 7.800 -32.193 40.522 1.00 83.93 ? 392 ASN A CG 1 ATOM 1992 O OD1 . ASN A 1 259 ? 7.597 -32.923 39.551 1.00 81.57 ? 392 ASN A OD1 1 ATOM 1993 N ND2 . ASN A 1 259 ? 7.975 -32.666 41.753 1.00 101.35 ? 392 ASN A ND2 1 ATOM 1994 N N . ASN A 1 260 ? 6.976 -30.818 36.869 1.00 49.00 ? 393 ASN A N 1 ATOM 1995 C CA . ASN A 1 260 ? 5.847 -30.905 35.944 1.00 40.21 ? 393 ASN A CA 1 ATOM 1996 C C . ASN A 1 260 ? 4.716 -31.816 36.415 1.00 43.94 ? 393 ASN A C 1 ATOM 1997 O O . ASN A 1 260 ? 3.571 -31.666 35.987 1.00 49.06 ? 393 ASN A O 1 ATOM 1998 C CB . ASN A 1 260 ? 6.324 -31.342 34.558 1.00 42.47 ? 393 ASN A CB 1 ATOM 1999 C CG . ASN A 1 260 ? 7.410 -30.443 34.011 1.00 38.53 ? 393 ASN A CG 1 ATOM 2000 O OD1 . ASN A 1 260 ? 7.146 -29.317 33.589 1.00 34.21 ? 393 ASN A OD1 1 ATOM 2001 N ND2 . ASN A 1 260 ? 8.643 -30.936 34.012 1.00 47.52 ? 393 ASN A ND2 1 ATOM 2002 N N . THR A 1 261 ? 5.040 -32.760 37.292 1.00 51.83 ? 394 THR A N 1 ATOM 2003 C CA . THR A 1 261 ? 4.040 -33.670 37.836 1.00 55.69 ? 394 THR A CA 1 ATOM 2004 C C . THR A 1 261 ? 3.034 -32.908 38.692 1.00 54.33 ? 394 THR A C 1 ATOM 2005 O O . THR A 1 261 ? 1.832 -33.169 38.638 1.00 59.75 ? 394 THR A O 1 ATOM 2006 C CB . THR A 1 261 ? 4.689 -34.781 38.683 1.00 58.41 ? 394 THR A CB 1 ATOM 2007 O OG1 . THR A 1 261 ? 5.722 -35.423 37.925 1.00 66.93 ? 394 THR A OG1 1 ATOM 2008 C CG2 . THR A 1 261 ? 3.652 -35.814 39.097 1.00 58.98 ? 394 THR A CG2 1 ATOM 2009 N N . CYS A 1 262 ? 3.534 -31.955 39.472 1.00 53.97 ? 395 CYS A N 1 ATOM 2010 C CA . CYS A 1 262 ? 2.688 -31.167 40.361 1.00 55.76 ? 395 CYS A CA 1 ATOM 2011 C C . CYS A 1 262 ? 1.873 -30.120 39.605 1.00 58.13 ? 395 CYS A C 1 ATOM 2012 O O . CYS A 1 262 ? 0.901 -29.581 40.134 1.00 59.77 ? 395 CYS A O 1 ATOM 2013 C CB . CYS A 1 262 ? 3.533 -30.498 41.447 1.00 60.46 ? 395 CYS A CB 1 ATOM 2014 S SG . CYS A 1 262 ? 4.397 -31.658 42.531 1.00 63.60 ? 395 CYS A SG 1 ATOM 2015 N N . ILE A 1 263 ? 2.274 -29.835 38.370 1.00 57.88 ? 396 ILE A N 1 ATOM 2016 C CA . ILE A 1 263 ? 1.556 -28.876 37.535 1.00 62.45 ? 396 ILE A CA 1 ATOM 2017 C C . ILE A 1 263 ? 0.268 -29.483 36.985 1.00 63.64 ? 396 ILE A C 1 ATOM 2018 O O . ILE A 1 263 ? 0.236 -30.649 36.592 1.00 66.99 ? 396 ILE A O 1 ATOM 2019 C CB . ILE A 1 263 ? 2.428 -28.365 36.365 1.00 65.60 ? 396 ILE A CB 1 ATOM 2020 C CG1 . ILE A 1 263 ? 3.218 -27.123 36.782 1.00 59.92 ? 396 ILE A CG1 1 ATOM 2021 C CG2 . ILE A 1 263 ? 1.566 -28.031 35.158 1.00 74.03 ? 396 ILE A CG2 1 ATOM 2022 C CD1 . ILE A 1 263 ? 4.311 -27.389 37.788 1.00 61.03 ? 396 ILE A CD1 1 ATOM 2023 N N . ASN A 1 272 ? 1.898 -30.827 47.489 1.00 57.63 ? 411 ASN A N 1 ATOM 2024 C CA . ASN A 1 272 ? 0.891 -29.956 48.082 1.00 54.37 ? 411 ASN A CA 1 ATOM 2025 C C . ASN A 1 272 ? 1.326 -29.435 49.450 1.00 53.10 ? 411 ASN A C 1 ATOM 2026 O O . ASN A 1 272 ? 0.900 -28.364 49.882 1.00 54.88 ? 411 ASN A O 1 ATOM 2027 C CB . ASN A 1 272 ? -0.450 -30.686 48.190 1.00 69.70 ? 411 ASN A CB 1 ATOM 2028 C CG . ASN A 1 272 ? -1.611 -29.743 48.434 1.00 83.16 ? 411 ASN A CG 1 ATOM 2029 O OD1 . ASN A 1 272 ? -2.147 -29.147 47.499 1.00 87.34 ? 411 ASN A OD1 1 ATOM 2030 N ND2 . ASN A 1 272 ? -2.011 -29.607 49.693 1.00 85.81 ? 411 ASN A ND2 1 ATOM 2031 N N . GLY A 1 273 ? 2.179 -30.199 50.126 1.00 39.18 ? 412 GLY A N 1 ATOM 2032 C CA . GLY A 1 273 ? 2.690 -29.809 51.428 1.00 44.65 ? 412 GLY A CA 1 ATOM 2033 C C . GLY A 1 273 ? 3.896 -28.895 51.321 1.00 43.10 ? 412 GLY A C 1 ATOM 2034 O O . GLY A 1 273 ? 4.125 -28.277 50.283 1.00 40.40 ? 412 GLY A O 1 ATOM 2035 N N . THR A 1 274 ? 4.671 -28.809 52.396 1.00 39.79 ? 413 THR A N 1 ATOM 2036 C CA . THR A 1 274 ? 5.862 -27.967 52.405 1.00 34.05 ? 413 THR A CA 1 ATOM 2037 C C . THR A 1 274 ? 6.978 -28.575 51.561 1.00 33.18 ? 413 THR A C 1 ATOM 2038 O O . THR A 1 274 ? 7.328 -29.743 51.725 1.00 41.24 ? 413 THR A O 1 ATOM 2039 C CB . THR A 1 274 ? 6.383 -27.732 53.837 1.00 34.00 ? 413 THR A CB 1 ATOM 2040 O OG1 . THR A 1 274 ? 5.369 -27.090 54.620 1.00 39.71 ? 413 THR A OG1 1 ATOM 2041 C CG2 . THR A 1 274 ? 7.628 -26.856 53.817 1.00 38.51 ? 413 THR A CG2 1 ATOM 2042 N N . ILE A 1 275 ? 7.525 -27.775 50.653 1.00 33.74 ? 414 ILE A N 1 ATOM 2043 C CA . ILE A 1 275 ? 8.665 -28.190 49.850 1.00 33.05 ? 414 ILE A CA 1 ATOM 2044 C C . ILE A 1 275 ? 9.955 -27.722 50.515 1.00 34.75 ? 414 ILE A C 1 ATOM 2045 O O . ILE A 1 275 ? 10.123 -26.535 50.786 1.00 33.95 ? 414 ILE A O 1 ATOM 2046 C CB . ILE A 1 275 ? 8.592 -27.608 48.428 1.00 32.12 ? 414 ILE A CB 1 ATOM 2047 C CG1 . ILE A 1 275 ? 7.304 -28.055 47.734 1.00 40.52 ? 414 ILE A CG1 1 ATOM 2048 C CG2 . ILE A 1 275 ? 9.812 -28.022 47.619 1.00 34.19 ? 414 ILE A CG2 1 ATOM 2049 C CD1 . ILE A 1 275 ? 7.142 -27.501 46.333 1.00 41.03 ? 414 ILE A CD1 1 ATOM 2050 N N . THR A 1 276 ? 10.859 -28.658 50.784 1.00 36.81 ? 415 THR A N 1 ATOM 2051 C CA . THR A 1 276 ? 12.125 -28.330 51.428 1.00 29.63 ? 415 THR A CA 1 ATOM 2052 C C . THR A 1 276 ? 13.297 -28.481 50.464 1.00 30.27 ? 415 THR A C 1 ATOM 2053 O O . THR A 1 276 ? 13.679 -29.595 50.106 1.00 31.85 ? 415 THR A O 1 ATOM 2054 C CB . THR A 1 276 ? 12.375 -29.208 52.669 1.00 34.40 ? 415 THR A CB 1 ATOM 2055 O OG1 . THR A 1 276 ? 11.304 -29.034 53.606 1.00 35.66 ? 415 THR A OG1 1 ATOM 2056 C CG2 . THR A 1 276 ? 13.689 -28.830 53.333 1.00 30.55 ? 415 THR A CG2 1 ATOM 2057 N N . LEU A 1 277 ? 13.861 -27.352 50.045 1.00 24.85 ? 416 LEU A N 1 ATOM 2058 C CA . LEU A 1 277 ? 15.008 -27.350 49.144 1.00 24.05 ? 416 LEU A CA 1 ATOM 2059 C C . LEU A 1 277 ? 16.309 -27.461 49.931 1.00 27.66 ? 416 LEU A C 1 ATOM 2060 O O . LEU A 1 277 ? 16.514 -26.727 50.893 1.00 27.33 ? 416 LEU A O 1 ATOM 2061 C CB . LEU A 1 277 ? 15.035 -26.066 48.314 1.00 23.01 ? 416 LEU A CB 1 ATOM 2062 C CG . LEU A 1 277 ? 13.785 -25.677 47.525 1.00 32.53 ? 416 LEU A CG 1 ATOM 2063 C CD1 . LEU A 1 277 ? 14.067 -24.440 46.682 1.00 27.55 ? 416 LEU A CD1 1 ATOM 2064 C CD2 . LEU A 1 277 ? 13.311 -26.827 46.655 1.00 30.64 ? 416 LEU A CD2 1 ATOM 2065 N N . PRO A 1 278 ? 17.192 -28.385 49.526 1.00 27.80 ? 417 PRO A N 1 ATOM 2066 C CA . PRO A 1 278 ? 18.511 -28.485 50.160 1.00 24.30 ? 417 PRO A CA 1 ATOM 2067 C C . PRO A 1 278 ? 19.433 -27.354 49.709 1.00 21.99 ? 417 PRO A C 1 ATOM 2068 O O . PRO A 1 278 ? 19.567 -27.105 48.510 1.00 22.36 ? 417 PRO A O 1 ATOM 2069 C CB . PRO A 1 278 ? 19.036 -29.834 49.665 1.00 30.13 ? 417 PRO A CB 1 ATOM 2070 C CG . PRO A 1 278 ? 18.332 -30.062 48.373 1.00 29.54 ? 417 PRO A CG 1 ATOM 2071 C CD . PRO A 1 278 ? 16.971 -29.447 48.529 1.00 28.31 ? 417 PRO A CD 1 ATOM 2072 N N . CYS A 1 279 ? 20.057 -26.677 50.668 1.00 23.06 ? 418 CYS A N 1 ATOM 2073 C CA . CYS A 1 279 ? 20.928 -25.545 50.369 1.00 23.47 ? 418 CYS A CA 1 ATOM 2074 C C . CYS A 1 279 ? 22.306 -25.714 50.992 1.00 24.36 ? 418 CYS A C 1 ATOM 2075 O O . CYS A 1 279 ? 22.485 -26.498 51.923 1.00 22.26 ? 418 CYS A O 1 ATOM 2076 C CB . CYS A 1 279 ? 20.308 -24.243 50.879 1.00 26.67 ? 418 CYS A CB 1 ATOM 2077 S SG . CYS A 1 279 ? 18.720 -23.825 50.149 1.00 35.11 ? 418 CYS A SG 1 ATOM 2078 N N . LYS A 1 280 ? 23.274 -24.966 50.472 1.00 21.53 ? 419 LYS A N 1 ATOM 2079 C CA . LYS A 1 280 ? 24.621 -24.934 51.027 1.00 22.40 ? 419 LYS A CA 1 ATOM 2080 C C . LYS A 1 280 ? 25.137 -23.501 51.052 1.00 26.70 ? 419 LYS A C 1 ATOM 2081 O O . LYS A 1 280 ? 24.944 -22.753 50.095 1.00 24.53 ? 419 LYS A O 1 ATOM 2082 C CB . LYS A 1 280 ? 25.576 -25.790 50.188 1.00 26.42 ? 419 LYS A CB 1 ATOM 2083 C CG . LYS A 1 280 ? 25.234 -27.274 50.120 1.00 43.05 ? 419 LYS A CG 1 ATOM 2084 C CD . LYS A 1 280 ? 25.337 -27.937 51.491 1.00 59.79 ? 419 LYS A CD 1 ATOM 2085 C CE . LYS A 1 280 ? 25.319 -29.450 51.367 1.00 65.67 ? 419 LYS A CE 1 ATOM 2086 N NZ . LYS A 1 280 ? 25.258 -30.115 52.694 1.00 66.55 ? 419 LYS A NZ 1 ATOM 2087 N N . ILE A 1 281 ? 25.788 -23.119 52.145 1.00 18.94 ? 420 ILE A N 1 ATOM 2088 C CA . ILE A 1 281 ? 26.508 -21.852 52.187 1.00 19.70 ? 420 ILE A CA 1 ATOM 2089 C C . ILE A 1 281 ? 27.886 -22.054 51.566 1.00 24.88 ? 420 ILE A C 1 ATOM 2090 O O . ILE A 1 281 ? 28.623 -22.954 51.963 1.00 29.02 ? 420 ILE A O 1 ATOM 2091 C CB . ILE A 1 281 ? 26.666 -21.326 53.626 1.00 22.28 ? 420 ILE A CB 1 ATOM 2092 C CG1 . ILE A 1 281 ? 25.297 -21.018 54.233 1.00 21.35 ? 420 ILE A CG1 1 ATOM 2093 C CG2 . ILE A 1 281 ? 27.544 -20.082 53.647 1.00 22.89 ? 420 ILE A CG2 1 ATOM 2094 C CD1 . ILE A 1 281 ? 25.369 -20.438 55.626 1.00 32.13 ? 420 ILE A CD1 1 ATOM 2095 N N . LYS A 1 282 ? 28.225 -21.229 50.580 1.00 18.14 ? 421 LYS A N 1 ATOM 2096 C CA . LYS A 1 282 ? 29.516 -21.343 49.907 1.00 25.62 ? 421 LYS A CA 1 ATOM 2097 C C . LYS A 1 282 ? 30.407 -20.131 50.142 1.00 27.13 ? 421 LYS A C 1 ATOM 2098 O O . LYS A 1 282 ? 29.950 -18.990 50.090 1.00 23.17 ? 421 LYS A O 1 ATOM 2099 C CB . LYS A 1 282 ? 29.333 -21.566 48.404 1.00 27.69 ? 421 LYS A CB 1 ATOM 2100 C CG . LYS A 1 282 ? 28.836 -22.953 48.037 1.00 31.91 ? 421 LYS A CG 1 ATOM 2101 C CD . LYS A 1 282 ? 28.947 -23.196 46.544 1.00 33.37 ? 421 LYS A CD 1 ATOM 2102 C CE . LYS A 1 282 ? 30.394 -23.129 46.079 1.00 28.05 ? 421 LYS A CE 1 ATOM 2103 N NZ . LYS A 1 282 ? 31.239 -24.172 46.722 1.00 39.41 ? 421 LYS A NZ 1 ATOM 2104 N N . GLN A 1 283 ? 31.686 -20.392 50.394 1.00 28.73 ? 422 GLN A N 1 ATOM 2105 C CA . GLN A 1 283 ? 32.665 -19.331 50.580 1.00 34.23 ? 422 GLN A CA 1 ATOM 2106 C C . GLN A 1 283 ? 33.358 -19.023 49.262 1.00 29.50 ? 422 GLN A C 1 ATOM 2107 O O . GLN A 1 283 ? 33.644 -17.867 48.950 1.00 38.76 ? 422 GLN A O 1 ATOM 2108 C CB . GLN A 1 283 ? 33.704 -19.744 51.621 1.00 27.56 ? 422 GLN A CB 1 ATOM 2109 C CG . GLN A 1 283 ? 33.123 -20.092 52.977 1.00 36.21 ? 422 GLN A CG 1 ATOM 2110 C CD . GLN A 1 283 ? 34.169 -20.630 53.932 1.00 41.36 ? 422 GLN A CD 1 ATOM 2111 O OE1 . GLN A 1 283 ? 33.982 -21.680 54.546 1.00 47.66 ? 422 GLN A OE1 1 ATOM 2112 N NE2 . GLN A 1 283 ? 35.278 -19.911 54.064 1.00 39.74 ? 422 GLN A NE2 1 ATOM 2113 N N . ILE A 1 284 ? 33.627 -20.069 48.490 1.00 29.77 ? 423 ILE A N 1 ATOM 2114 C CA . ILE A 1 284 ? 34.304 -19.921 47.210 1.00 32.47 ? 423 ILE A CA 1 ATOM 2115 C C . ILE A 1 284 ? 33.297 -19.833 46.073 1.00 32.01 ? 423 ILE A C 1 ATOM 2116 O O . ILE A 1 284 ? 32.648 -20.818 45.719 1.00 31.17 ? 423 ILE A O 1 ATOM 2117 C CB . ILE A 1 284 ? 35.288 -21.072 46.967 1.00 34.24 ? 423 ILE A CB 1 ATOM 2118 C CG1 . ILE A 1 284 ? 36.365 -21.059 48.052 1.00 27.95 ? 423 ILE A CG1 1 ATOM 2119 C CG2 . ILE A 1 284 ? 35.912 -20.960 45.584 1.00 40.18 ? 423 ILE A CG2 1 ATOM 2120 C CD1 . ILE A 1 284 ? 37.356 -22.176 47.947 1.00 36.65 ? 423 ILE A CD1 1 ATOM 2121 N N . ILE A 1 285 ? 33.161 -18.638 45.510 1.00 30.06 ? 424 ILE A N 1 ATOM 2122 C CA . ILE A 1 285 ? 32.166 -18.402 44.476 1.00 31.51 ? 424 ILE A CA 1 ATOM 2123 C C . ILE A 1 285 ? 32.769 -17.732 43.249 1.00 26.69 ? 424 ILE A C 1 ATOM 2124 O O . ILE A 1 285 ? 33.876 -17.194 43.297 1.00 32.14 ? 424 ILE A O 1 ATOM 2125 C CB . ILE A 1 285 ? 31.022 -17.503 44.990 1.00 42.89 ? 424 ILE A CB 1 ATOM 2126 C CG1 . ILE A 1 285 ? 31.494 -16.054 45.112 1.00 34.85 ? 424 ILE A CG1 1 ATOM 2127 C CG2 . ILE A 1 285 ? 30.487 -18.009 46.324 1.00 45.93 ? 424 ILE A CG2 1 ATOM 2128 C CD1 . ILE A 1 285 ? 30.373 -15.072 45.361 1.00 48.75 ? 424 ILE A CD1 1 ATOM 2129 N N . ASN A 1 286 ? 32.032 -17.784 42.145 1.00 32.73 ? 425 ASN A N 1 ATOM 2130 C CA . ASN A 1 286 ? 32.341 -16.970 40.981 1.00 36.82 ? 425 ASN A CA 1 ATOM 2131 C C . ASN A 1 286 ? 31.660 -15.620 41.151 1.00 33.31 ? 425 ASN A C 1 ATOM 2132 O O . ASN A 1 286 ? 30.440 -15.549 41.292 1.00 33.63 ? 425 ASN A O 1 ATOM 2133 C CB . ASN A 1 286 ? 31.856 -17.651 39.702 1.00 42.38 ? 425 ASN A CB 1 ATOM 2134 C CG . ASN A 1 286 ? 32.615 -18.927 39.399 1.00 48.35 ? 425 ASN A CG 1 ATOM 2135 O OD1 . ASN A 1 286 ? 33.838 -18.980 39.522 1.00 42.17 ? 425 ASN A OD1 1 ATOM 2136 N ND2 . ASN A 1 286 ? 31.889 -19.966 39.004 1.00 49.45 ? 425 ASN A ND2 1 ATOM 2137 N N . MET A 1 287 ? 32.451 -14.553 41.154 1.00 24.51 ? 426 MET A N 1 ATOM 2138 C CA . MET A 1 287 ? 31.925 -13.216 41.404 1.00 24.90 ? 426 MET A CA 1 ATOM 2139 C C . MET A 1 287 ? 30.988 -12.771 40.288 1.00 25.31 ? 426 MET A C 1 ATOM 2140 O O . MET A 1 287 ? 31.339 -12.833 39.110 1.00 32.77 ? 426 MET A O 1 ATOM 2141 C CB . MET A 1 287 ? 33.069 -12.215 41.568 1.00 24.46 ? 426 MET A CB 1 ATOM 2142 C CG . MET A 1 287 ? 34.078 -12.611 42.633 1.00 29.51 ? 426 MET A CG 1 ATOM 2143 S SD . MET A 1 287 ? 35.397 -11.402 42.833 1.00 41.56 ? 426 MET A SD 1 ATOM 2144 C CE . MET A 1 287 ? 34.501 -10.044 43.583 1.00 54.69 ? 426 MET A CE 1 ATOM 2145 N N . TRP A 1 288 ? 29.795 -12.323 40.667 1.00 26.51 ? 427 TRP A N 1 ATOM 2146 C CA . TRP A 1 288 ? 28.810 -11.860 39.695 1.00 26.40 ? 427 TRP A CA 1 ATOM 2147 C C . TRP A 1 288 ? 29.278 -10.608 38.966 1.00 24.09 ? 427 TRP A C 1 ATOM 2148 O O . TRP A 1 288 ? 28.812 -10.308 37.868 1.00 30.11 ? 427 TRP A O 1 ATOM 2149 C CB . TRP A 1 288 ? 27.453 -11.616 40.360 1.00 27.57 ? 427 TRP A CB 1 ATOM 2150 C CG . TRP A 1 288 ? 27.443 -10.523 41.377 1.00 25.24 ? 427 TRP A CG 1 ATOM 2151 C CD1 . TRP A 1 288 ? 27.646 -10.651 42.720 1.00 21.70 ? 427 TRP A CD1 1 ATOM 2152 C CD2 . TRP A 1 288 ? 27.198 -9.134 41.138 1.00 22.25 ? 427 TRP A CD2 1 ATOM 2153 N NE1 . TRP A 1 288 ? 27.549 -9.425 43.331 1.00 24.24 ? 427 TRP A NE1 1 ATOM 2154 C CE2 . TRP A 1 288 ? 27.276 -8.476 42.381 1.00 23.40 ? 427 TRP A CE2 1 ATOM 2155 C CE3 . TRP A 1 288 ? 26.926 -8.380 39.992 1.00 19.74 ? 427 TRP A CE3 1 ATOM 2156 C CZ2 . TRP A 1 288 ? 27.090 -7.102 42.511 1.00 22.19 ? 427 TRP A CZ2 1 ATOM 2157 C CZ3 . TRP A 1 288 ? 26.741 -7.016 40.123 1.00 24.02 ? 427 TRP A CZ3 1 ATOM 2158 C CH2 . TRP A 1 288 ? 26.825 -6.391 41.373 1.00 27.59 ? 427 TRP A CH2 1 ATOM 2159 N N . GLN A 1 289 ? 30.210 -9.887 39.580 1.00 22.96 ? 428 GLN A N 1 ATOM 2160 C CA . GLN A 1 289 ? 30.778 -8.687 38.975 1.00 32.75 ? 428 GLN A CA 1 ATOM 2161 C C . GLN A 1 289 ? 31.584 -9.020 37.719 1.00 45.95 ? 428 GLN A C 1 ATOM 2162 O O . GLN A 1 289 ? 31.953 -8.128 36.955 1.00 46.19 ? 428 GLN A O 1 ATOM 2163 C CB . GLN A 1 289 ? 31.656 -7.938 39.982 1.00 30.96 ? 428 GLN A CB 1 ATOM 2164 C CG . GLN A 1 289 ? 30.932 -7.478 41.243 1.00 29.81 ? 428 GLN A CG 1 ATOM 2165 C CD . GLN A 1 289 ? 30.966 -8.511 42.358 1.00 33.85 ? 428 GLN A CD 1 ATOM 2166 O OE1 . GLN A 1 289 ? 30.898 -9.714 42.111 1.00 28.04 ? 428 GLN A OE1 1 ATOM 2167 N NE2 . GLN A 1 289 ? 31.079 -8.040 43.595 1.00 31.81 ? 428 GLN A NE2 1 ATOM 2168 N N . GLY A 1 290 ? 31.856 -10.306 37.515 1.00 50.98 ? 429 GLY A N 1 ATOM 2169 C CA . GLY A 1 290 ? 32.563 -10.766 36.334 1.00 51.23 ? 429 GLY A CA 1 ATOM 2170 C C . GLY A 1 290 ? 34.063 -10.842 36.539 1.00 57.79 ? 429 GLY A C 1 ATOM 2171 O O . GLY A 1 290 ? 34.809 -11.183 35.621 1.00 57.49 ? 429 GLY A O 1 ATOM 2172 N N . THR A 1 291 ? 34.505 -10.529 37.752 1.00 66.39 ? 430 THR A N 1 ATOM 2173 C CA . THR A 1 291 ? 35.929 -10.497 38.061 1.00 71.30 ? 430 THR A CA 1 ATOM 2174 C C . THR A 1 291 ? 36.428 -11.798 38.687 1.00 72.06 ? 430 THR A C 1 ATOM 2175 O O . THR A 1 291 ? 36.835 -11.822 39.847 1.00 83.13 ? 430 THR A O 1 ATOM 2176 C CB . THR A 1 291 ? 36.274 -9.320 38.995 1.00 69.34 ? 430 THR A CB 1 ATOM 2177 O OG1 . THR A 1 291 ? 35.455 -9.384 40.169 1.00 66.44 ? 430 THR A OG1 1 ATOM 2178 C CG2 . THR A 1 291 ? 36.034 -7.994 38.290 1.00 71.73 ? 430 THR A CG2 1 ATOM 2179 N N . GLY A 1 292 ? 36.387 -12.877 37.911 1.00 56.59 ? 431 GLY A N 1 ATOM 2180 C CA . GLY A 1 292 ? 36.957 -14.147 38.326 1.00 50.45 ? 431 GLY A CA 1 ATOM 2181 C C . GLY A 1 292 ? 36.328 -14.789 39.550 1.00 44.80 ? 431 GLY A C 1 ATOM 2182 O O . GLY A 1 292 ? 35.111 -14.758 39.730 1.00 37.78 ? 431 GLY A O 1 ATOM 2183 N N . GLN A 1 293 ? 37.171 -15.375 40.395 1.00 44.46 ? 432 GLN A N 1 ATOM 2184 C CA . GLN A 1 293 ? 36.703 -16.121 41.557 1.00 47.16 ? 432 GLN A CA 1 ATOM 2185 C C . GLN A 1 293 ? 37.156 -15.466 42.856 1.00 33.94 ? 432 GLN A C 1 ATOM 2186 O O . GLN A 1 293 ? 38.106 -14.683 42.869 1.00 43.32 ? 432 GLN A O 1 ATOM 2187 C CB . GLN A 1 293 ? 37.207 -17.567 41.506 1.00 47.42 ? 432 GLN A CB 1 ATOM 2188 C CG . GLN A 1 293 ? 36.978 -18.276 40.176 1.00 61.85 ? 432 GLN A CG 1 ATOM 2189 C CD . GLN A 1 293 ? 38.066 -17.985 39.157 1.00 73.17 ? 432 GLN A CD 1 ATOM 2190 O OE1 . GLN A 1 293 ? 38.961 -17.174 39.401 1.00 76.95 ? 432 GLN A OE1 1 ATOM 2191 N NE2 . GLN A 1 293 ? 37.995 -18.648 38.009 1.00 73.03 ? 432 GLN A NE2 1 ATOM 2192 N N . ALA A 1 294 ? 36.477 -15.796 43.950 1.00 32.68 ? 433 ALA A N 1 ATOM 2193 C CA . ALA A 1 294 ? 36.823 -15.245 45.256 1.00 32.99 ? 433 ALA A CA 1 ATOM 2194 C C . ALA A 1 294 ? 36.440 -16.188 46.393 1.00 39.38 ? 433 ALA A C 1 ATOM 2195 O O . ALA A 1 294 ? 35.490 -16.961 46.276 1.00 33.23 ? 433 ALA A O 1 ATOM 2196 C CB . ALA A 1 294 ? 36.160 -13.891 45.450 1.00 38.38 ? 433 ALA A CB 1 ATOM 2197 N N . MET A 1 295 ? 37.191 -16.123 47.489 1.00 32.54 ? 434 MET A N 1 ATOM 2198 C CA . MET A 1 295 ? 36.847 -16.867 48.694 1.00 34.80 ? 434 MET A CA 1 ATOM 2199 C C . MET A 1 295 ? 36.430 -15.915 49.805 1.00 29.21 ? 434 MET A C 1 ATOM 2200 O O . MET A 1 295 ? 37.228 -15.103 50.273 1.00 39.18 ? 434 MET A O 1 ATOM 2201 C CB . MET A 1 295 ? 38.014 -17.737 49.171 1.00 32.67 ? 434 MET A CB 1 ATOM 2202 C CG . MET A 1 295 ? 37.692 -18.532 50.433 1.00 31.08 ? 434 MET A CG 1 ATOM 2203 S SD . MET A 1 295 ? 39.043 -19.562 51.043 1.00 31.57 ? 434 MET A SD 1 ATOM 2204 C CE . MET A 1 295 ? 40.190 -18.315 51.626 1.00 33.91 ? 434 MET A CE 1 ATOM 2205 N N . TYR A 1 296 ? 35.174 -16.017 50.223 1.00 30.16 ? 435 TYR A N 1 ATOM 2206 C CA . TYR A 1 296 ? 34.667 -15.192 51.310 1.00 34.64 ? 435 TYR A CA 1 ATOM 2207 C C . TYR A 1 296 ? 34.829 -15.915 52.645 1.00 29.92 ? 435 TYR A C 1 ATOM 2208 O O . TYR A 1 296 ? 35.217 -17.082 52.685 1.00 35.98 ? 435 TYR A O 1 ATOM 2209 C CB . TYR A 1 296 ? 33.204 -14.812 51.063 1.00 26.13 ? 435 TYR A CB 1 ATOM 2210 C CG . TYR A 1 296 ? 33.008 -13.902 49.868 1.00 27.44 ? 435 TYR A CG 1 ATOM 2211 C CD1 . TYR A 1 296 ? 32.919 -14.420 48.582 1.00 33.16 ? 435 TYR A CD1 1 ATOM 2212 C CD2 . TYR A 1 296 ? 32.914 -12.524 50.027 1.00 30.03 ? 435 TYR A CD2 1 ATOM 2213 C CE1 . TYR A 1 296 ? 32.744 -13.592 47.488 1.00 38.94 ? 435 TYR A CE1 1 ATOM 2214 C CE2 . TYR A 1 296 ? 32.735 -11.688 48.938 1.00 27.06 ? 435 TYR A CE2 1 ATOM 2215 C CZ . TYR A 1 296 ? 32.651 -12.228 47.671 1.00 38.63 ? 435 TYR A CZ 1 ATOM 2216 O OH . TYR A 1 296 ? 32.475 -11.403 46.583 1.00 38.65 ? 435 TYR A OH 1 ATOM 2217 N N . ALA A 1 297 ? 34.537 -15.214 53.735 1.00 33.90 ? 436 ALA A N 1 ATOM 2218 C CA . ALA A 1 297 ? 34.722 -15.757 55.077 1.00 24.23 ? 436 ALA A CA 1 ATOM 2219 C C . ALA A 1 297 ? 33.645 -16.784 55.439 1.00 32.44 ? 436 ALA A C 1 ATOM 2220 O O . ALA A 1 297 ? 32.528 -16.719 54.927 1.00 32.97 ? 436 ALA A O 1 ATOM 2221 C CB . ALA A 1 297 ? 34.748 -14.620 56.096 1.00 35.20 ? 436 ALA A CB 1 ATOM 2222 N N . PRO A 1 298 ? 33.985 -17.742 56.321 1.00 28.82 ? 437 PRO A N 1 ATOM 2223 C CA . PRO A 1 298 ? 33.032 -18.754 56.800 1.00 34.24 ? 437 PRO A CA 1 ATOM 2224 C C . PRO A 1 298 ? 31.880 -18.132 57.594 1.00 35.13 ? 437 PRO A C 1 ATOM 2225 O O . PRO A 1 298 ? 32.067 -17.080 58.199 1.00 31.61 ? 437 PRO A O 1 ATOM 2226 C CB . PRO A 1 298 ? 33.895 -19.646 57.704 1.00 32.12 ? 437 PRO A CB 1 ATOM 2227 C CG . PRO A 1 298 ? 35.066 -18.802 58.080 1.00 31.80 ? 437 PRO A CG 1 ATOM 2228 C CD . PRO A 1 298 ? 35.332 -17.954 56.878 1.00 30.51 ? 437 PRO A CD 1 ATOM 2229 N N . PRO A 1 299 ? 30.705 -18.785 57.601 1.00 30.48 ? 438 PRO A N 1 ATOM 2230 C CA . PRO A 1 299 ? 29.473 -18.213 58.165 1.00 25.70 ? 438 PRO A CA 1 ATOM 2231 C C . PRO A 1 299 ? 29.542 -17.861 59.652 1.00 31.78 ? 438 PRO A C 1 ATOM 2232 O O . PRO A 1 299 ? 30.358 -18.410 60.394 1.00 28.32 ? 438 PRO A O 1 ATOM 2233 C CB . PRO A 1 299 ? 28.437 -19.323 57.940 1.00 30.63 ? 438 PRO A CB 1 ATOM 2234 C CG . PRO A 1 299 ? 29.234 -20.570 57.782 1.00 30.02 ? 438 PRO A CG 1 ATOM 2235 C CD . PRO A 1 299 ? 30.486 -20.146 57.083 1.00 29.76 ? 438 PRO A CD 1 ATOM 2236 N N . ILE A 1 300 ? 28.676 -16.942 60.072 1.00 27.42 ? 439 ILE A N 1 ATOM 2237 C CA . ILE A 1 300 ? 28.549 -16.587 61.480 1.00 33.89 ? 439 ILE A CA 1 ATOM 2238 C C . ILE A 1 300 ? 27.849 -17.699 62.253 1.00 33.69 ? 439 ILE A C 1 ATOM 2239 O O . ILE A 1 300 ? 27.278 -18.615 61.662 1.00 32.05 ? 439 ILE A O 1 ATOM 2240 C CB . ILE A 1 300 ? 27.744 -15.286 61.668 1.00 45.75 ? 439 ILE A CB 1 ATOM 2241 C CG1 . ILE A 1 300 ? 26.371 -15.409 61.005 1.00 41.83 ? 439 ILE A CG1 1 ATOM 2242 C CG2 . ILE A 1 300 ? 28.504 -14.100 61.105 1.00 44.92 ? 439 ILE A CG2 1 ATOM 2243 C CD1 . ILE A 1 300 ? 25.505 -14.177 61.160 1.00 46.84 ? 439 ILE A CD1 1 ATOM 2244 N N . ASP A 1 301 ? 27.893 -17.609 63.578 1.00 35.54 ? 440 ASP A N 1 ATOM 2245 C CA . ASP A 1 301 ? 27.242 -18.592 64.434 1.00 33.51 ? 440 ASP A CA 1 ATOM 2246 C C . ASP A 1 301 ? 25.761 -18.273 64.598 1.00 35.30 ? 440 ASP A C 1 ATOM 2247 O O . ASP A 1 301 ? 25.310 -17.179 64.257 1.00 35.53 ? 440 ASP A O 1 ATOM 2248 C CB . ASP A 1 301 ? 27.917 -18.637 65.807 1.00 37.63 ? 440 ASP A CB 1 ATOM 2249 C CG . ASP A 1 301 ? 29.353 -19.119 65.736 1.00 48.65 ? 440 ASP A CG 1 ATOM 2250 O OD1 . ASP A 1 301 ? 29.642 -20.016 64.916 1.00 46.69 ? 440 ASP A OD1 1 ATOM 2251 O OD2 . ASP A 1 301 ? 30.193 -18.601 66.501 1.00 64.57 ? 440 ASP A OD2 1 ATOM 2252 N N . GLY A 1 302 ? 25.009 -19.235 65.122 1.00 35.60 ? 441 GLY A N 1 ATOM 2253 C CA . GLY A 1 302 ? 23.598 -19.037 65.395 1.00 34.42 ? 441 GLY A CA 1 ATOM 2254 C C . GLY A 1 302 ? 22.716 -19.282 64.189 1.00 38.18 ? 441 GLY A C 1 ATOM 2255 O O . GLY A 1 302 ? 23.185 -19.726 63.139 1.00 31.86 ? 441 GLY A O 1 ATOM 2256 N N . LYS A 1 303 ? 21.428 -18.992 64.341 1.00 33.73 ? 442 LYS A N 1 ATOM 2257 C CA . LYS A 1 303 ? 20.473 -19.183 63.259 1.00 36.19 ? 442 LYS A CA 1 ATOM 2258 C C . LYS A 1 303 ? 20.613 -18.086 62.211 1.00 33.41 ? 442 LYS A C 1 ATOM 2259 O O . LYS A 1 303 ? 20.530 -16.899 62.525 1.00 32.18 ? 442 LYS A O 1 ATOM 2260 C CB . LYS A 1 303 ? 19.040 -19.204 63.795 1.00 35.49 ? 442 LYS A CB 1 ATOM 2261 C CG . LYS A 1 303 ? 17.999 -19.551 62.740 1.00 37.38 ? 442 LYS A CG 1 ATOM 2262 C CD . LYS A 1 303 ? 16.597 -19.159 63.178 1.00 50.23 ? 442 LYS A CD 1 ATOM 2263 C CE . LYS A 1 303 ? 16.438 -17.647 63.224 1.00 64.02 ? 442 LYS A CE 1 ATOM 2264 N NZ . LYS A 1 303 ? 15.035 -17.242 63.520 1.00 65.66 ? 442 LYS A NZ 1 ATOM 2265 N N . ILE A 1 304 ? 20.831 -18.492 60.966 1.00 24.59 ? 443 ILE A N 1 ATOM 2266 C CA . ILE A 1 304 ? 20.881 -17.557 59.852 1.00 22.95 ? 443 ILE A CA 1 ATOM 2267 C C . ILE A 1 304 ? 19.619 -17.739 59.020 1.00 23.98 ? 443 ILE A C 1 ATOM 2268 O O . ILE A 1 304 ? 19.415 -18.791 58.417 1.00 27.19 ? 443 ILE A O 1 ATOM 2269 C CB . ILE A 1 304 ? 22.119 -17.797 58.972 1.00 27.38 ? 443 ILE A CB 1 ATOM 2270 C CG1 . ILE A 1 304 ? 23.386 -17.817 59.830 1.00 28.18 ? 443 ILE A CG1 1 ATOM 2271 C CG2 . ILE A 1 304 ? 22.219 -16.735 57.887 1.00 25.10 ? 443 ILE A CG2 1 ATOM 2272 C CD1 . ILE A 1 304 ? 24.643 -18.142 59.054 1.00 25.03 ? 443 ILE A CD1 1 ATOM 2273 N N . ASN A 1 305 ? 18.769 -16.717 58.997 1.00 20.42 ? 444 ASN A N 1 ATOM 2274 C CA . ASN A 1 305 ? 17.455 -16.843 58.376 1.00 27.36 ? 444 ASN A CA 1 ATOM 2275 C C . ASN A 1 305 ? 17.068 -15.664 57.489 1.00 30.35 ? 444 ASN A C 1 ATOM 2276 O O . ASN A 1 305 ? 17.262 -14.504 57.853 1.00 25.93 ? 444 ASN A O 1 ATOM 2277 C CB . ASN A 1 305 ? 16.386 -17.065 59.452 1.00 29.26 ? 444 ASN A CB 1 ATOM 2278 C CG . ASN A 1 305 ? 14.981 -17.113 58.881 1.00 33.51 ? 444 ASN A CG 1 ATOM 2279 O OD1 . ASN A 1 305 ? 14.273 -16.107 58.861 1.00 33.34 ? 444 ASN A OD1 1 ATOM 2280 N ND2 . ASN A 1 305 ? 14.570 -18.287 58.415 1.00 28.62 ? 444 ASN A ND2 1 ATOM 2281 N N . CYS A 1 306 ? 16.519 -15.976 56.320 1.00 26.45 ? 445 CYS A N 1 ATOM 2282 C CA . CYS A 1 306 ? 15.992 -14.963 55.416 1.00 22.88 ? 445 CYS A CA 1 ATOM 2283 C C . CYS A 1 306 ? 14.671 -15.425 54.818 1.00 19.46 ? 445 CYS A C 1 ATOM 2284 O O . CYS A 1 306 ? 14.593 -16.494 54.213 1.00 28.39 ? 445 CYS A O 1 ATOM 2285 C CB . CYS A 1 306 ? 16.987 -14.656 54.294 1.00 33.87 ? 445 CYS A CB 1 ATOM 2286 S SG . CYS A 1 306 ? 18.348 -13.566 54.766 1.00 42.07 ? 445 CYS A SG 1 ATOM 2287 N N . VAL A 1 307 ? 13.634 -14.616 54.997 1.00 22.00 ? 446 VAL A N 1 ATOM 2288 C CA . VAL A 1 307 ? 12.345 -14.879 54.371 1.00 24.39 ? 446 VAL A CA 1 ATOM 2289 C C . VAL A 1 307 ? 12.116 -13.859 53.265 1.00 25.12 ? 446 VAL A C 1 ATOM 2290 O O . VAL A 1 307 ? 12.037 -12.658 53.526 1.00 22.92 ? 446 VAL A O 1 ATOM 2291 C CB . VAL A 1 307 ? 11.193 -14.795 55.385 1.00 31.17 ? 446 VAL A CB 1 ATOM 2292 C CG1 . VAL A 1 307 ? 9.874 -15.151 54.715 1.00 34.87 ? 446 VAL A CG1 1 ATOM 2293 C CG2 . VAL A 1 307 ? 11.460 -15.712 56.568 1.00 28.57 ? 446 VAL A CG2 1 ATOM 2294 N N . SER A 1 308 ? 12.014 -14.339 52.030 1.00 22.76 ? 447 SER A N 1 ATOM 2295 C CA . SER A 1 308 ? 11.897 -13.455 50.879 1.00 20.70 ? 447 SER A CA 1 ATOM 2296 C C . SER A 1 308 ? 10.627 -13.730 50.086 1.00 23.72 ? 447 SER A C 1 ATOM 2297 O O . SER A 1 308 ? 10.058 -14.819 50.162 1.00 24.12 ? 447 SER A O 1 ATOM 2298 C CB . SER A 1 308 ? 13.115 -13.614 49.965 1.00 24.19 ? 447 SER A CB 1 ATOM 2299 O OG . SER A 1 308 ? 14.322 -13.544 50.704 1.00 25.16 ? 447 SER A OG 1 ATOM 2300 N N . ASN A 1 309 ? 10.185 -12.731 49.329 1.00 21.17 ? 448 ASN A N 1 ATOM 2301 C CA . ASN A 1 309 ? 9.076 -12.908 48.403 1.00 24.68 ? 448 ASN A CA 1 ATOM 2302 C C . ASN A 1 309 ? 9.605 -13.217 47.013 1.00 20.64 ? 448 ASN A C 1 ATOM 2303 O O . ASN A 1 309 ? 10.369 -12.434 46.450 1.00 24.66 ? 448 ASN A O 1 ATOM 2304 C CB . ASN A 1 309 ? 8.219 -11.644 48.332 1.00 25.75 ? 448 ASN A CB 1 ATOM 2305 C CG . ASN A 1 309 ? 7.511 -11.338 49.633 1.00 39.99 ? 448 ASN A CG 1 ATOM 2306 O OD1 . ASN A 1 309 ? 7.046 -12.239 50.331 1.00 39.11 ? 448 ASN A OD1 1 ATOM 2307 N ND2 . ASN A 1 309 ? 7.426 -10.054 49.967 1.00 65.56 ? 448 ASN A ND2 1 ATOM 2308 N N . ILE A 1 310 ? 9.211 -14.358 46.460 1.00 19.39 ? 449 ILE A N 1 ATOM 2309 C CA . ILE A 1 310 ? 9.509 -14.644 45.065 1.00 21.47 ? 449 ILE A CA 1 ATOM 2310 C C . ILE A 1 310 ? 8.548 -13.823 44.217 1.00 21.72 ? 449 ILE A C 1 ATOM 2311 O O . ILE A 1 310 ? 7.334 -13.980 44.322 1.00 21.49 ? 449 ILE A O 1 ATOM 2312 C CB . ILE A 1 310 ? 9.341 -16.136 44.734 1.00 21.74 ? 449 ILE A CB 1 ATOM 2313 C CG1 . ILE A 1 310 ? 10.288 -16.983 45.588 1.00 20.87 ? 449 ILE A CG1 1 ATOM 2314 C CG2 . ILE A 1 310 ? 9.594 -16.383 43.253 1.00 21.74 ? 449 ILE A CG2 1 ATOM 2315 C CD1 . ILE A 1 310 ? 10.072 -18.474 45.440 1.00 23.03 ? 449 ILE A CD1 1 ATOM 2316 N N . THR A 1 311 ? 9.093 -12.936 43.391 1.00 16.82 ? 450 THR A N 1 ATOM 2317 C CA . THR A 1 311 ? 8.268 -12.025 42.604 1.00 17.11 ? 450 THR A CA 1 ATOM 2318 C C . THR A 1 311 ? 8.524 -12.185 41.108 1.00 16.50 ? 450 THR A C 1 ATOM 2319 O O . THR A 1 311 ? 7.817 -11.606 40.280 1.00 21.12 ? 450 THR A O 1 ATOM 2320 C CB . THR A 1 311 ? 8.501 -10.556 43.016 1.00 24.73 ? 450 THR A CB 1 ATOM 2321 O OG1 . THR A 1 311 ? 9.884 -10.219 42.847 1.00 24.47 ? 450 THR A OG1 1 ATOM 2322 C CG2 . THR A 1 311 ? 8.110 -10.342 44.472 1.00 24.33 ? 450 THR A CG2 1 ATOM 2323 N N . GLY A 1 312 ? 9.533 -12.980 40.769 1.00 24.34 ? 451 GLY A N 1 ATOM 2324 C CA . GLY A 1 312 ? 9.892 -13.203 39.381 1.00 20.42 ? 451 GLY A CA 1 ATOM 2325 C C . GLY A 1 312 ? 10.704 -14.465 39.167 1.00 19.41 ? 451 GLY A C 1 ATOM 2326 O O . GLY A 1 312 ? 11.264 -15.023 40.110 1.00 18.50 ? 451 GLY A O 1 ATOM 2327 N N . ILE A 1 313 ? 10.757 -14.920 37.918 1.00 16.78 ? 452 ILE A N 1 ATOM 2328 C CA . ILE A 1 313 ? 11.529 -16.103 37.554 1.00 16.30 ? 452 ILE A CA 1 ATOM 2329 C C . ILE A 1 313 ? 12.333 -15.834 36.287 1.00 20.56 ? 452 ILE A C 1 ATOM 2330 O O . ILE A 1 313 ? 11.815 -15.265 35.327 1.00 20.64 ? 452 ILE A O 1 ATOM 2331 C CB . ILE A 1 313 ? 10.619 -17.325 37.300 1.00 19.30 ? 452 ILE A CB 1 ATOM 2332 C CG1 . ILE A 1 313 ? 9.681 -17.570 38.483 1.00 21.28 ? 452 ILE A CG1 1 ATOM 2333 C CG2 . ILE A 1 313 ? 11.453 -18.567 37.023 1.00 24.93 ? 452 ILE A CG2 1 ATOM 2334 C CD1 . ILE A 1 313 ? 8.635 -18.640 38.217 1.00 21.60 ? 452 ILE A CD1 1 ATOM 2335 N N . LEU A 1 314 ? 13.599 -16.240 36.288 1.00 16.54 ? 453 LEU A N 1 ATOM 2336 C CA . LEU A 1 314 ? 14.430 -16.157 35.093 1.00 17.13 ? 453 LEU A CA 1 ATOM 2337 C C . LEU A 1 314 ? 14.496 -17.522 34.411 1.00 23.84 ? 453 LEU A C 1 ATOM 2338 O O . LEU A 1 314 ? 14.882 -18.514 35.029 1.00 22.87 ? 453 LEU A O 1 ATOM 2339 C CB . LEU A 1 314 ? 15.836 -15.673 35.450 1.00 20.88 ? 453 LEU A CB 1 ATOM 2340 C CG . LEU A 1 314 ? 15.894 -14.350 36.217 1.00 27.45 ? 453 LEU A CG 1 ATOM 2341 C CD1 . LEU A 1 314 ? 17.325 -13.995 36.584 1.00 33.15 ? 453 LEU A CD1 1 ATOM 2342 C CD2 . LEU A 1 314 ? 15.259 -13.236 35.406 1.00 27.36 ? 453 LEU A CD2 1 ATOM 2343 N N . LEU A 1 315 ? 14.118 -17.567 33.137 1.00 19.11 ? 454 LEU A N 1 ATOM 2344 C CA . LEU A 1 315 ? 14.055 -18.828 32.406 1.00 21.14 ? 454 LEU A CA 1 ATOM 2345 C C . LEU A 1 315 ? 14.877 -18.817 31.122 1.00 18.09 ? 454 LEU A C 1 ATOM 2346 O O . LEU A 1 315 ? 15.050 -17.777 30.485 1.00 17.68 ? 454 LEU A O 1 ATOM 2347 C CB . LEU A 1 315 ? 12.603 -19.173 32.062 1.00 19.84 ? 454 LEU A CB 1 ATOM 2348 C CG . LEU A 1 315 ? 11.631 -19.459 33.206 1.00 19.46 ? 454 LEU A CG 1 ATOM 2349 C CD1 . LEU A 1 315 ? 10.231 -19.683 32.652 1.00 21.80 ? 454 LEU A CD1 1 ATOM 2350 C CD2 . LEU A 1 315 ? 12.088 -20.662 34.016 1.00 19.52 ? 454 LEU A CD2 1 ATOM 2351 N N . THR A 1 316 ? 15.377 -19.990 30.750 1.00 17.99 ? 455 THR A N 1 ATOM 2352 C CA . THR A 1 316 ? 16.039 -20.183 29.467 1.00 17.48 ? 455 THR A CA 1 ATOM 2353 C C . THR A 1 316 ? 15.337 -21.314 28.729 1.00 20.37 ? 455 THR A C 1 ATOM 2354 O O . THR A 1 316 ? 15.153 -22.400 29.278 1.00 24.05 ? 455 THR A O 1 ATOM 2355 C CB . THR A 1 316 ? 17.528 -20.534 29.640 1.00 27.24 ? 455 THR A CB 1 ATOM 2356 O OG1 . THR A 1 316 ? 18.198 -19.466 30.321 1.00 29.00 ? 455 THR A OG1 1 ATOM 2357 C CG2 . THR A 1 316 ? 18.185 -20.753 28.283 1.00 27.82 ? 455 THR A CG2 1 ATOM 2358 N N . ARG A 1 317 ? 14.939 -21.055 27.488 1.00 22.19 ? 456 ARG A N 1 ATOM 2359 C CA . ARG A 1 317 ? 14.197 -22.037 26.705 1.00 22.73 ? 456 ARG A CA 1 ATOM 2360 C C . ARG A 1 317 ? 15.122 -22.954 25.908 1.00 24.84 ? 456 ARG A C 1 ATOM 2361 O O . ARG A 1 317 ? 16.110 -22.505 25.328 1.00 23.27 ? 456 ARG A O 1 ATOM 2362 C CB . ARG A 1 317 ? 13.206 -21.335 25.769 1.00 18.66 ? 456 ARG A CB 1 ATOM 2363 C CG . ARG A 1 317 ? 12.369 -22.284 24.920 1.00 22.47 ? 456 ARG A CG 1 ATOM 2364 C CD . ARG A 1 317 ? 11.304 -21.531 24.142 1.00 21.95 ? 456 ARG A CD 1 ATOM 2365 N NE . ARG A 1 317 ? 11.875 -20.569 23.201 1.00 22.95 ? 456 ARG A NE 1 ATOM 2366 C CZ . ARG A 1 317 ? 12.110 -20.826 21.918 1.00 24.56 ? 456 ARG A CZ 1 ATOM 2367 N NH1 . ARG A 1 317 ? 11.823 -22.020 21.414 1.00 22.12 ? 456 ARG A NH1 1 ATOM 2368 N NH2 . ARG A 1 317 ? 12.630 -19.889 21.135 1.00 23.30 ? 456 ARG A NH2 1 ATOM 2369 N N . ASP A 1 318 ? 14.794 -24.243 25.892 1.00 26.96 ? 457 ASP A N 1 ATOM 2370 C CA . ASP A 1 318 ? 15.556 -25.230 25.135 1.00 28.36 ? 457 ASP A CA 1 ATOM 2371 C C . ASP A 1 318 ? 15.460 -24.987 23.634 1.00 30.70 ? 457 ASP A C 1 ATOM 2372 O O . ASP A 1 318 ? 14.400 -24.634 23.116 1.00 28.79 ? 457 ASP A O 1 ATOM 2373 C CB . ASP A 1 318 ? 15.051 -26.642 25.444 1.00 30.40 ? 457 ASP A CB 1 ATOM 2374 C CG . ASP A 1 318 ? 15.734 -27.262 26.646 1.00 37.01 ? 457 ASP A CG 1 ATOM 2375 O OD1 . ASP A 1 318 ? 16.270 -26.513 27.491 1.00 32.93 ? 457 ASP A OD1 1 ATOM 2376 O OD2 . ASP A 1 318 ? 15.730 -28.507 26.744 1.00 31.53 ? 457 ASP A OD2 1 ATOM 2377 N N . GLY A 1 319 ? 16.572 -25.183 22.936 1.00 30.90 ? 458 GLY A N 1 ATOM 2378 C CA . GLY A 1 319 ? 16.579 -25.105 21.488 1.00 35.46 ? 458 GLY A CA 1 ATOM 2379 C C . GLY A 1 319 ? 16.322 -26.467 20.874 1.00 38.99 ? 458 GLY A C 1 ATOM 2380 O O . GLY A 1 319 ? 16.393 -27.486 21.562 1.00 37.49 ? 458 GLY A O 1 ATOM 2381 N N . GLY A 1 320 ? 16.009 -26.482 19.582 1.00 33.50 ? 459 GLY A N 1 ATOM 2382 C CA . GLY A 1 320 ? 15.829 -27.721 18.844 1.00 34.92 ? 459 GLY A CA 1 ATOM 2383 C C . GLY A 1 320 ? 14.479 -28.396 19.017 1.00 35.60 ? 459 GLY A C 1 ATOM 2384 O O . GLY A 1 320 ? 14.354 -29.600 18.793 1.00 33.36 ? 459 GLY A O 1 ATOM 2385 N N . ALA A 1 321 ? 13.465 -27.625 19.397 1.00 29.01 ? 460 ALA A N 1 ATOM 2386 C CA . ALA A 1 321 ? 12.138 -28.185 19.651 1.00 29.82 ? 460 ALA A CA 1 ATOM 2387 C C . ALA A 1 321 ? 11.105 -27.782 18.597 1.00 27.45 ? 460 ALA A C 1 ATOM 2388 O O . ALA A 1 321 ? 9.907 -27.995 18.783 1.00 31.30 ? 460 ALA A O 1 ATOM 2389 C CB . ALA A 1 321 ? 11.656 -27.793 21.041 1.00 23.12 ? 460 ALA A CB 1 ATOM 2390 N N . ASN A 1 322 ? 11.575 -27.208 17.494 1.00 25.77 ? 461 ASN A N 1 ATOM 2391 C CA . ASN A 1 322 ? 10.692 -26.717 16.436 1.00 28.52 ? 461 ASN A CA 1 ATOM 2392 C C . ASN A 1 322 ? 9.771 -27.778 15.837 1.00 30.72 ? 461 ASN A C 1 ATOM 2393 O O . ASN A 1 322 ? 8.635 -27.484 15.465 1.00 32.86 ? 461 ASN A O 1 ATOM 2394 C CB . ASN A 1 322 ? 11.511 -26.059 15.320 1.00 38.52 ? 461 ASN A CB 1 ATOM 2395 C CG . ASN A 1 322 ? 12.128 -24.744 15.749 1.00 46.38 ? 461 ASN A CG 1 ATOM 2396 O OD1 . ASN A 1 322 ? 12.009 -24.338 16.905 1.00 45.30 ? 461 ASN A OD1 1 ATOM 2397 N ND2 . ASN A 1 322 ? 12.796 -24.071 14.819 1.00 50.32 ? 461 ASN A ND2 1 ATOM 2398 N N . ASN A 1 323 ? 10.264 -29.008 15.743 1.00 28.53 ? 462 ASN A N 1 ATOM 2399 C CA . ASN A 1 323 ? 9.503 -30.081 15.115 1.00 29.91 ? 462 ASN A CA 1 ATOM 2400 C C . ASN A 1 323 ? 8.711 -30.928 16.110 1.00 29.60 ? 462 ASN A C 1 ATOM 2401 O O . ASN A 1 323 ? 8.237 -32.014 15.775 1.00 31.34 ? 462 ASN A O 1 ATOM 2402 C CB . ASN A 1 323 ? 10.423 -30.963 14.268 1.00 31.55 ? 462 ASN A CB 1 ATOM 2403 C CG . ASN A 1 323 ? 11.029 -30.214 13.095 1.00 37.70 ? 462 ASN A CG 1 ATOM 2404 O OD1 . ASN A 1 323 ? 10.413 -29.303 12.540 1.00 37.51 ? 462 ASN A OD1 1 ATOM 2405 N ND2 . ASN A 1 323 ? 12.242 -30.595 12.711 1.00 33.77 ? 462 ASN A ND2 1 ATOM 2406 N N . THR A 1 324 ? 8.572 -30.421 17.333 1.00 28.08 ? 463 THR A N 1 ATOM 2407 C CA . THR A 1 324 ? 7.772 -31.082 18.360 1.00 31.61 ? 463 THR A CA 1 ATOM 2408 C C . THR A 1 324 ? 6.730 -30.113 18.906 1.00 33.15 ? 463 THR A C 1 ATOM 2409 O O . THR A 1 324 ? 6.792 -28.914 18.640 1.00 32.39 ? 463 THR A O 1 ATOM 2410 C CB . THR A 1 324 ? 8.639 -31.580 19.534 1.00 33.24 ? 463 THR A CB 1 ATOM 2411 O OG1 . THR A 1 324 ? 9.106 -30.461 20.300 1.00 33.91 ? 463 THR A OG1 1 ATOM 2412 C CG2 . THR A 1 324 ? 9.828 -32.382 19.026 1.00 31.74 ? 463 THR A CG2 1 ATOM 2413 N N . SER A 1 325 ? 5.776 -30.633 19.673 1.00 27.98 ? 464 SER A N 1 ATOM 2414 C CA . SER A 1 325 ? 4.726 -29.796 20.249 1.00 27.66 ? 464 SER A CA 1 ATOM 2415 C C . SER A 1 325 ? 5.070 -29.322 21.658 1.00 24.60 ? 464 SER A C 1 ATOM 2416 O O . SER A 1 325 ? 4.227 -28.755 22.352 1.00 24.05 ? 464 SER A O 1 ATOM 2417 C CB . SER A 1 325 ? 3.387 -30.537 20.260 1.00 34.83 ? 464 SER A CB 1 ATOM 2418 O OG . SER A 1 325 ? 2.861 -30.660 18.950 1.00 38.37 ? 464 SER A OG 1 ATOM 2419 N N . ASN A 1 326 ? 6.313 -29.551 22.071 1.00 24.17 ? 465 ASN A N 1 ATOM 2420 C CA . ASN A 1 326 ? 6.760 -29.165 23.406 1.00 23.25 ? 465 ASN A CA 1 ATOM 2421 C C . ASN A 1 326 ? 7.748 -28.005 23.392 1.00 27.15 ? 465 ASN A C 1 ATOM 2422 O O . ASN A 1 326 ? 8.545 -27.864 22.466 1.00 29.62 ? 465 ASN A O 1 ATOM 2423 C CB . ASN A 1 326 ? 7.400 -30.358 24.121 1.00 34.75 ? 465 ASN A CB 1 ATOM 2424 C CG . ASN A 1 326 ? 6.401 -31.447 24.451 1.00 43.83 ? 465 ASN A CG 1 ATOM 2425 O OD1 . ASN A 1 326 ? 5.220 -31.345 24.120 1.00 51.49 ? 465 ASN A OD1 1 ATOM 2426 N ND2 . ASN A 1 326 ? 6.875 -32.505 25.098 1.00 43.36 ? 465 ASN A ND2 1 ATOM 2427 N N . GLU A 1 327 ? 7.682 -27.174 24.427 1.00 20.85 ? 466 GLU A N 1 ATOM 2428 C CA . GLU A 1 327 ? 8.709 -26.173 24.682 1.00 22.01 ? 466 GLU A CA 1 ATOM 2429 C C . GLU A 1 327 ? 9.207 -26.365 26.109 1.00 26.94 ? 466 GLU A C 1 ATOM 2430 O O . GLU A 1 327 ? 8.411 -26.414 27.046 1.00 23.57 ? 466 GLU A O 1 ATOM 2431 C CB . GLU A 1 327 ? 8.166 -24.755 24.495 1.00 22.63 ? 466 GLU A CB 1 ATOM 2432 C CG . GLU A 1 327 ? 7.777 -24.405 23.061 1.00 26.05 ? 466 GLU A CG 1 ATOM 2433 C CD . GLU A 1 327 ? 8.973 -24.235 22.136 1.00 32.67 ? 466 GLU A CD 1 ATOM 2434 O OE1 . GLU A 1 327 ? 10.123 -24.224 22.624 1.00 28.35 ? 466 GLU A OE1 1 ATOM 2435 O OE2 . GLU A 1 327 ? 8.760 -24.107 20.911 1.00 28.29 ? 466 GLU A OE2 1 ATOM 2436 N N . THR A 1 328 ? 10.521 -26.485 26.266 1.00 18.99 ? 467 THR A N 1 ATOM 2437 C CA . THR A 1 328 ? 11.111 -26.774 27.569 1.00 24.81 ? 467 THR A CA 1 ATOM 2438 C C . THR A 1 328 ? 11.805 -25.549 28.153 1.00 19.69 ? 467 THR A C 1 ATOM 2439 O O . THR A 1 328 ? 12.569 -24.870 27.468 1.00 23.56 ? 467 THR A O 1 ATOM 2440 C CB . THR A 1 328 ? 12.111 -27.947 27.484 1.00 28.83 ? 467 THR A CB 1 ATOM 2441 O OG1 . THR A 1 328 ? 11.448 -29.104 26.962 1.00 31.63 ? 467 THR A OG1 1 ATOM 2442 C CG2 . THR A 1 328 ? 12.679 -28.273 28.858 1.00 29.22 ? 467 THR A CG2 1 ATOM 2443 N N . PHE A 1 329 ? 11.532 -25.273 29.424 1.00 18.80 ? 468 PHE A N 1 ATOM 2444 C CA . PHE A 1 329 ? 12.097 -24.111 30.097 1.00 18.61 ? 468 PHE A CA 1 ATOM 2445 C C . PHE A 1 329 ? 12.872 -24.531 31.340 1.00 19.34 ? 468 PHE A C 1 ATOM 2446 O O . PHE A 1 329 ? 12.419 -25.379 32.108 1.00 25.29 ? 468 PHE A O 1 ATOM 2447 C CB . PHE A 1 329 ? 10.989 -23.126 30.472 1.00 16.20 ? 468 PHE A CB 1 ATOM 2448 C CG . PHE A 1 329 ? 10.201 -22.624 29.292 1.00 19.68 ? 468 PHE A CG 1 ATOM 2449 C CD1 . PHE A 1 329 ? 9.130 -23.351 28.797 1.00 28.74 ? 468 PHE A CD1 1 ATOM 2450 C CD2 . PHE A 1 329 ? 10.533 -21.425 28.679 1.00 19.42 ? 468 PHE A CD2 1 ATOM 2451 C CE1 . PHE A 1 329 ? 8.406 -22.895 27.709 1.00 22.81 ? 468 PHE A CE1 1 ATOM 2452 C CE2 . PHE A 1 329 ? 9.811 -20.963 27.592 1.00 22.23 ? 468 PHE A CE2 1 ATOM 2453 C CZ . PHE A 1 329 ? 8.747 -21.700 27.107 1.00 22.75 ? 468 PHE A CZ 1 ATOM 2454 N N . ARG A 1 330 ? 14.045 -23.937 31.527 1.00 21.78 ? 469 ARG A N 1 ATOM 2455 C CA . ARG A 1 330 ? 14.879 -24.241 32.683 1.00 17.01 ? 469 ARG A CA 1 ATOM 2456 C C . ARG A 1 330 ? 15.247 -22.953 33.409 1.00 19.39 ? 469 ARG A C 1 ATOM 2457 O O . ARG A 1 330 ? 15.506 -21.932 32.773 1.00 21.43 ? 469 ARG A O 1 ATOM 2458 C CB . ARG A 1 330 ? 16.147 -24.981 32.250 1.00 19.16 ? 469 ARG A CB 1 ATOM 2459 C CG . ARG A 1 330 ? 15.889 -26.193 31.362 1.00 23.52 ? 469 ARG A CG 1 ATOM 2460 C CD . ARG A 1 330 ? 17.188 -26.820 30.876 1.00 25.91 ? 469 ARG A CD 1 ATOM 2461 N NE . ARG A 1 330 ? 16.954 -27.832 29.849 1.00 31.04 ? 469 ARG A NE 1 ATOM 2462 C CZ . ARG A 1 330 ? 16.916 -29.141 30.077 1.00 41.10 ? 469 ARG A CZ 1 ATOM 2463 N NH1 . ARG A 1 330 ? 17.103 -29.612 31.303 1.00 31.37 ? 469 ARG A NH1 1 ATOM 2464 N NH2 . ARG A 1 330 ? 16.694 -29.982 29.075 1.00 31.80 ? 469 ARG A NH2 1 ATOM 2465 N N . PRO A 1 331 ? 15.263 -22.996 34.750 1.00 22.92 ? 470 PRO A N 1 ATOM 2466 C CA . PRO A 1 331 ? 15.664 -21.822 35.531 1.00 21.21 ? 470 PRO A CA 1 ATOM 2467 C C . PRO A 1 331 ? 17.110 -21.456 35.229 1.00 21.05 ? 470 PRO A C 1 ATOM 2468 O O . PRO A 1 331 ? 17.946 -22.340 35.056 1.00 22.04 ? 470 PRO A O 1 ATOM 2469 C CB . PRO A 1 331 ? 15.521 -22.299 36.981 1.00 25.82 ? 470 PRO A CB 1 ATOM 2470 C CG . PRO A 1 331 ? 15.598 -23.785 36.908 1.00 21.93 ? 470 PRO A CG 1 ATOM 2471 C CD . PRO A 1 331 ? 14.946 -24.150 35.608 1.00 21.51 ? 470 PRO A CD 1 ATOM 2472 N N . GLY A 1 332 ? 17.400 -20.163 35.150 1.00 29.42 ? 471 GLY A N 1 ATOM 2473 C CA . GLY A 1 332 ? 18.734 -19.726 34.786 1.00 41.27 ? 471 GLY A CA 1 ATOM 2474 C C . GLY A 1 332 ? 18.978 -18.249 35.009 1.00 56.89 ? 471 GLY A C 1 ATOM 2475 O O . GLY A 1 332 ? 18.581 -17.693 36.031 1.00 55.84 ? 471 GLY A O 1 ATOM 2476 N N . GLY A 1 333 ? 19.633 -17.614 34.043 1.00 63.58 ? 472 GLY A N 1 ATOM 2477 C CA . GLY A 1 333 ? 19.999 -16.214 34.157 1.00 57.32 ? 472 GLY A CA 1 ATOM 2478 C C . GLY A 1 333 ? 21.460 -16.078 34.537 1.00 58.01 ? 472 GLY A C 1 ATOM 2479 O O . GLY A 1 333 ? 22.326 -16.693 33.916 1.00 56.80 ? 472 GLY A O 1 ATOM 2480 N N . GLY A 1 334 ? 21.739 -15.283 35.565 1.00 47.07 ? 473 GLY A N 1 ATOM 2481 C CA . GLY A 1 334 ? 23.105 -15.075 36.008 1.00 37.76 ? 473 GLY A CA 1 ATOM 2482 C C . GLY A 1 334 ? 23.588 -13.676 35.688 1.00 55.72 ? 473 GLY A C 1 ATOM 2483 O O . GLY A 1 334 ? 24.310 -13.063 36.474 1.00 69.21 ? 473 GLY A O 1 ATOM 2484 N N . ASN A 1 335 ? 23.198 -13.175 34.520 1.00 41.54 ? 474 ASN A N 1 ATOM 2485 C CA . ASN A 1 335 ? 23.468 -11.789 34.174 1.00 30.67 ? 474 ASN A CA 1 ATOM 2486 C C . ASN A 1 335 ? 22.632 -10.902 35.078 1.00 26.76 ? 474 ASN A C 1 ATOM 2487 O O . ASN A 1 335 ? 21.434 -10.720 34.858 1.00 24.19 ? 474 ASN A O 1 ATOM 2488 C CB . ASN A 1 335 ? 23.157 -11.515 32.704 1.00 37.46 ? 474 ASN A CB 1 ATOM 2489 C CG . ASN A 1 335 ? 23.531 -10.106 32.280 1.00 42.41 ? 474 ASN A CG 1 ATOM 2490 O OD1 . ASN A 1 335 ? 24.156 -9.360 33.036 1.00 37.13 ? 474 ASN A OD1 1 ATOM 2491 N ND2 . ASN A 1 335 ? 23.156 -9.737 31.061 1.00 47.39 ? 474 ASN A ND2 1 ATOM 2492 N N . ILE A 1 336 ? 23.278 -10.361 36.104 1.00 21.62 ? 475 ILE A N 1 ATOM 2493 C CA . ILE A 1 336 ? 22.598 -9.615 37.155 1.00 19.61 ? 475 ILE A CA 1 ATOM 2494 C C . ILE A 1 336 ? 21.892 -8.363 36.630 1.00 19.02 ? 475 ILE A C 1 ATOM 2495 O O . ILE A 1 336 ? 20.953 -7.866 37.250 1.00 21.04 ? 475 ILE A O 1 ATOM 2496 C CB . ILE A 1 336 ? 23.581 -9.267 38.298 1.00 23.72 ? 475 ILE A CB 1 ATOM 2497 C CG1 . ILE A 1 336 ? 24.299 -10.534 38.762 1.00 23.69 ? 475 ILE A CG1 1 ATOM 2498 C CG2 . ILE A 1 336 ? 22.860 -8.635 39.473 1.00 23.54 ? 475 ILE A CG2 1 ATOM 2499 C CD1 . ILE A 1 336 ? 23.354 -11.626 39.236 1.00 24.62 ? 475 ILE A CD1 1 ATOM 2500 N N . LYS A 1 337 ? 22.328 -7.867 35.476 1.00 22.56 ? 476 LYS A N 1 ATOM 2501 C CA . LYS A 1 337 ? 21.663 -6.730 34.844 1.00 23.64 ? 476 LYS A CA 1 ATOM 2502 C C . LYS A 1 337 ? 20.183 -7.013 34.593 1.00 19.94 ? 476 LYS A C 1 ATOM 2503 O O . LYS A 1 337 ? 19.355 -6.103 34.631 1.00 20.79 ? 476 LYS A O 1 ATOM 2504 C CB . LYS A 1 337 ? 22.351 -6.352 33.531 1.00 20.43 ? 476 LYS A CB 1 ATOM 2505 C CG . LYS A 1 337 ? 23.697 -5.671 33.704 1.00 22.81 ? 476 LYS A CG 1 ATOM 2506 C CD . LYS A 1 337 ? 24.250 -5.222 32.360 1.00 30.20 ? 476 LYS A CD 1 ATOM 2507 C CE . LYS A 1 337 ? 25.609 -4.562 32.508 1.00 40.95 ? 476 LYS A CE 1 ATOM 2508 N NZ . LYS A 1 337 ? 26.143 -4.108 31.195 1.00 40.81 ? 476 LYS A NZ 1 ATOM 2509 N N . ASP A 1 338 ? 19.857 -8.278 34.344 1.00 18.12 ? 477 ASP A N 1 ATOM 2510 C CA . ASP A 1 338 ? 18.470 -8.684 34.137 1.00 19.25 ? 477 ASP A CA 1 ATOM 2511 C C . ASP A 1 338 ? 17.633 -8.475 35.395 1.00 22.12 ? 477 ASP A C 1 ATOM 2512 O O . ASP A 1 338 ? 16.438 -8.192 35.311 1.00 18.69 ? 477 ASP A O 1 ATOM 2513 C CB . ASP A 1 338 ? 18.391 -10.143 33.680 1.00 19.87 ? 477 ASP A CB 1 ATOM 2514 C CG . ASP A 1 338 ? 18.952 -10.347 32.285 1.00 28.95 ? 477 ASP A CG 1 ATOM 2515 O OD1 . ASP A 1 338 ? 18.869 -9.408 31.465 1.00 28.41 ? 477 ASP A OD1 1 ATOM 2516 O OD2 . ASP A 1 338 ? 19.477 -11.446 32.009 1.00 27.19 ? 477 ASP A OD2 1 ATOM 2517 N N . ASN A 1 339 ? 18.258 -8.617 36.561 1.00 19.64 ? 478 ASN A N 1 ATOM 2518 C CA . ASN A 1 339 ? 17.573 -8.329 37.815 1.00 20.74 ? 478 ASN A CA 1 ATOM 2519 C C . ASN A 1 339 ? 17.122 -6.873 37.869 1.00 14.44 ? 478 ASN A C 1 ATOM 2520 O O . ASN A 1 339 ? 16.011 -6.574 38.310 1.00 20.41 ? 478 ASN A O 1 ATOM 2521 C CB . ASN A 1 339 ? 18.461 -8.650 39.022 1.00 17.95 ? 478 ASN A CB 1 ATOM 2522 C CG . ASN A 1 339 ? 18.757 -10.132 39.155 1.00 22.40 ? 478 ASN A CG 1 ATOM 2523 O OD1 . ASN A 1 339 ? 18.998 -10.821 38.165 1.00 21.84 ? 478 ASN A OD1 1 ATOM 2524 N ND2 . ASN A 1 339 ? 18.733 -10.632 40.385 1.00 21.84 ? 478 ASN A ND2 1 ATOM 2525 N N . TRP A 1 340 ? 17.982 -5.971 37.407 1.00 16.51 ? 479 TRP A N 1 ATOM 2526 C CA . TRP A 1 340 ? 17.646 -4.551 37.409 1.00 20.95 ? 479 TRP A CA 1 ATOM 2527 C C . TRP A 1 340 ? 16.613 -4.234 36.328 1.00 17.79 ? 479 TRP A C 1 ATOM 2528 O O . TRP A 1 340 ? 15.772 -3.354 36.507 1.00 18.38 ? 479 TRP A O 1 ATOM 2529 C CB . TRP A 1 340 ? 18.893 -3.677 37.238 1.00 18.90 ? 479 TRP A CB 1 ATOM 2530 C CG . TRP A 1 340 ? 20.123 -4.142 37.999 1.00 17.80 ? 479 TRP A CG 1 ATOM 2531 C CD1 . TRP A 1 340 ? 21.413 -4.098 37.555 1.00 19.87 ? 479 TRP A CD1 1 ATOM 2532 C CD2 . TRP A 1 340 ? 20.175 -4.717 39.318 1.00 21.94 ? 479 TRP A CD2 1 ATOM 2533 N NE1 . TRP A 1 340 ? 22.263 -4.603 38.510 1.00 18.86 ? 479 TRP A NE1 1 ATOM 2534 C CE2 . TRP A 1 340 ? 21.529 -4.993 39.599 1.00 18.34 ? 479 TRP A CE2 1 ATOM 2535 C CE3 . TRP A 1 340 ? 19.211 -5.029 40.284 1.00 21.67 ? 479 TRP A CE3 1 ATOM 2536 C CZ2 . TRP A 1 340 ? 21.941 -5.560 40.804 1.00 17.04 ? 479 TRP A CZ2 1 ATOM 2537 C CZ3 . TRP A 1 340 ? 19.623 -5.593 41.477 1.00 24.25 ? 479 TRP A CZ3 1 ATOM 2538 C CH2 . TRP A 1 340 ? 20.976 -5.853 41.726 1.00 17.48 ? 479 TRP A CH2 1 ATOM 2539 N N . ARG A 1 341 ? 16.678 -4.958 35.215 1.00 18.04 ? 480 ARG A N 1 ATOM 2540 C CA . ARG A 1 341 ? 15.704 -4.787 34.137 1.00 18.30 ? 480 ARG A CA 1 ATOM 2541 C C . ARG A 1 341 ? 14.300 -5.146 34.605 1.00 22.35 ? 480 ARG A C 1 ATOM 2542 O O . ARG A 1 341 ? 13.317 -4.569 34.141 1.00 21.86 ? 480 ARG A O 1 ATOM 2543 C CB . ARG A 1 341 ? 16.062 -5.647 32.923 1.00 19.54 ? 480 ARG A CB 1 ATOM 2544 C CG . ARG A 1 341 ? 17.385 -5.312 32.270 1.00 24.01 ? 480 ARG A CG 1 ATOM 2545 C CD . ARG A 1 341 ? 17.572 -6.113 30.988 1.00 21.28 ? 480 ARG A CD 1 ATOM 2546 N NE . ARG A 1 341 ? 18.975 -6.194 30.593 1.00 27.25 ? 480 ARG A NE 1 ATOM 2547 C CZ . ARG A 1 341 ? 19.645 -5.208 30.006 1.00 30.50 ? 480 ARG A CZ 1 ATOM 2548 N NH1 . ARG A 1 341 ? 19.042 -4.056 29.743 1.00 29.02 ? 480 ARG A NH1 1 ATOM 2549 N NH2 . ARG A 1 341 ? 20.921 -5.373 29.685 1.00 38.57 ? 480 ARG A NH2 1 ATOM 2550 N N . SER A 1 342 ? 14.211 -6.101 35.527 1.00 17.24 ? 481 SER A N 1 ATOM 2551 C CA . SER A 1 342 ? 12.917 -6.574 36.007 1.00 20.46 ? 481 SER A CA 1 ATOM 2552 C C . SER A 1 342 ? 12.178 -5.492 36.790 1.00 17.15 ? 481 SER A C 1 ATOM 2553 O O . SER A 1 342 ? 10.971 -5.589 37.006 1.00 20.53 ? 481 SER A O 1 ATOM 2554 C CB . SER A 1 342 ? 13.077 -7.837 36.858 1.00 19.68 ? 481 SER A CB 1 ATOM 2555 O OG . SER A 1 342 ? 13.694 -7.551 38.102 1.00 21.79 ? 481 SER A OG 1 ATOM 2556 N N . GLU A 1 343 ? 12.910 -4.460 37.202 1.00 17.08 ? 482 GLU A N 1 ATOM 2557 C CA . GLU A 1 343 ? 12.330 -3.347 37.947 1.00 19.08 ? 482 GLU A CA 1 ATOM 2558 C C . GLU A 1 343 ? 12.354 -2.038 37.155 1.00 21.48 ? 482 GLU A C 1 ATOM 2559 O O . GLU A 1 343 ? 11.504 -1.170 37.354 1.00 23.77 ? 482 GLU A O 1 ATOM 2560 C CB . GLU A 1 343 ? 13.058 -3.166 39.282 1.00 22.55 ? 482 GLU A CB 1 ATOM 2561 C CG . GLU A 1 343 ? 12.851 -4.313 40.260 1.00 24.21 ? 482 GLU A CG 1 ATOM 2562 C CD . GLU A 1 343 ? 11.436 -4.368 40.799 1.00 31.84 ? 482 GLU A CD 1 ATOM 2563 O OE1 . GLU A 1 343 ? 10.826 -3.293 40.979 1.00 37.81 ? 482 GLU A OE1 1 ATOM 2564 O OE2 . GLU A 1 343 ? 10.931 -5.484 41.041 1.00 28.13 ? 482 GLU A OE2 1 ATOM 2565 N N . LEU A 1 344 ? 13.324 -1.905 36.255 1.00 18.11 ? 483 LEU A N 1 ATOM 2566 C CA . LEU A 1 344 ? 13.515 -0.662 35.508 1.00 15.52 ? 483 LEU A CA 1 ATOM 2567 C C . LEU A 1 344 ? 12.830 -0.653 34.142 1.00 26.98 ? 483 LEU A C 1 ATOM 2568 O O . LEU A 1 344 ? 12.947 0.319 33.395 1.00 20.60 ? 483 LEU A O 1 ATOM 2569 C CB . LEU A 1 344 ? 15.007 -0.373 35.330 1.00 16.95 ? 483 LEU A CB 1 ATOM 2570 C CG . LEU A 1 344 ? 15.781 0.071 36.571 1.00 19.59 ? 483 LEU A CG 1 ATOM 2571 C CD1 . LEU A 1 344 ? 17.276 0.077 36.288 1.00 18.35 ? 483 LEU A CD1 1 ATOM 2572 C CD2 . LEU A 1 344 ? 15.318 1.447 37.021 1.00 20.93 ? 483 LEU A CD2 1 ATOM 2573 N N . TYR A 1 345 ? 12.111 -1.727 33.826 1.00 22.21 ? 484 TYR A N 1 ATOM 2574 C CA . TYR A 1 345 ? 11.529 -1.911 32.494 1.00 23.24 ? 484 TYR A CA 1 ATOM 2575 C C . TYR A 1 345 ? 10.581 -0.793 32.058 1.00 27.19 ? 484 TYR A C 1 ATOM 2576 O O . TYR A 1 345 ? 10.468 -0.494 30.868 1.00 25.31 ? 484 TYR A O 1 ATOM 2577 C CB . TYR A 1 345 ? 10.805 -3.261 32.405 1.00 20.64 ? 484 TYR A CB 1 ATOM 2578 C CG . TYR A 1 345 ? 9.584 -3.368 33.295 1.00 23.79 ? 484 TYR A CG 1 ATOM 2579 C CD1 . TYR A 1 345 ? 9.692 -3.824 34.602 1.00 21.42 ? 484 TYR A CD1 1 ATOM 2580 C CD2 . TYR A 1 345 ? 8.324 -3.016 32.827 1.00 22.62 ? 484 TYR A CD2 1 ATOM 2581 C CE1 . TYR A 1 345 ? 8.583 -3.923 35.418 1.00 21.26 ? 484 TYR A CE1 1 ATOM 2582 C CE2 . TYR A 1 345 ? 7.209 -3.110 33.636 1.00 25.91 ? 484 TYR A CE2 1 ATOM 2583 C CZ . TYR A 1 345 ? 7.344 -3.563 34.931 1.00 28.82 ? 484 TYR A CZ 1 ATOM 2584 O OH . TYR A 1 345 ? 6.236 -3.662 35.739 1.00 29.53 ? 484 TYR A OH 1 ATOM 2585 N N . LYS A 1 346 ? 9.899 -0.180 33.020 1.00 21.32 ? 485 LYS A N 1 ATOM 2586 C CA . LYS A 1 346 ? 8.864 0.799 32.706 1.00 21.74 ? 485 LYS A CA 1 ATOM 2587 C C . LYS A 1 346 ? 9.385 2.233 32.644 1.00 20.18 ? 485 LYS A C 1 ATOM 2588 O O . LYS A 1 346 ? 8.610 3.166 32.443 1.00 27.99 ? 485 LYS A O 1 ATOM 2589 C CB . LYS A 1 346 ? 7.721 0.710 33.720 1.00 26.26 ? 485 LYS A CB 1 ATOM 2590 C CG . LYS A 1 346 ? 8.156 0.944 35.158 1.00 26.57 ? 485 LYS A CG 1 ATOM 2591 C CD . LYS A 1 346 ? 6.958 1.036 36.091 1.00 34.05 ? 485 LYS A CD 1 ATOM 2592 C CE . LYS A 1 346 ? 6.104 -0.219 36.027 1.00 38.60 ? 485 LYS A CE 1 ATOM 2593 N NZ . LYS A 1 346 ? 4.919 -0.126 36.926 1.00 35.40 ? 485 LYS A NZ 1 ATOM 2594 N N . TYR A 1 347 ? 10.692 2.409 32.815 1.00 18.57 ? 486 TYR A N 1 ATOM 2595 C CA . TYR A 1 347 ? 11.272 3.750 32.831 1.00 18.24 ? 486 TYR A CA 1 ATOM 2596 C C . TYR A 1 347 ? 12.222 3.999 31.665 1.00 20.74 ? 486 TYR A C 1 ATOM 2597 O O . TYR A 1 347 ? 12.898 3.087 31.191 1.00 20.60 ? 486 TYR A O 1 ATOM 2598 C CB . TYR A 1 347 ? 12.033 3.997 34.137 1.00 15.40 ? 486 TYR A CB 1 ATOM 2599 C CG . TYR A 1 347 ? 11.228 3.810 35.401 1.00 20.62 ? 486 TYR A CG 1 ATOM 2600 C CD1 . TYR A 1 347 ? 10.337 4.784 35.834 1.00 19.54 ? 486 TYR A CD1 1 ATOM 2601 C CD2 . TYR A 1 347 ? 11.384 2.671 36.181 1.00 20.78 ? 486 TYR A CD2 1 ATOM 2602 C CE1 . TYR A 1 347 ? 9.610 4.620 37.001 1.00 21.85 ? 486 TYR A CE1 1 ATOM 2603 C CE2 . TYR A 1 347 ? 10.663 2.499 37.349 1.00 22.15 ? 486 TYR A CE2 1 ATOM 2604 C CZ . TYR A 1 347 ? 9.779 3.474 37.755 1.00 24.27 ? 486 TYR A CZ 1 ATOM 2605 O OH . TYR A 1 347 ? 9.063 3.302 38.919 1.00 20.81 ? 486 TYR A OH 1 ATOM 2606 N N . LYS A 1 348 ? 12.271 5.248 31.215 1.00 20.33 ? 487 LYS A N 1 ATOM 2607 C CA . LYS A 1 348 ? 13.291 5.685 30.271 1.00 22.49 ? 487 LYS A CA 1 ATOM 2608 C C . LYS A 1 348 ? 13.574 7.168 30.476 1.00 23.35 ? 487 LYS A C 1 ATOM 2609 O O . LYS A 1 348 ? 12.697 7.924 30.895 1.00 24.48 ? 487 LYS A O 1 ATOM 2610 C CB . LYS A 1 348 ? 12.878 5.404 28.823 1.00 22.60 ? 487 LYS A CB 1 ATOM 2611 C CG . LYS A 1 348 ? 11.848 6.363 28.257 1.00 28.65 ? 487 LYS A CG 1 ATOM 2612 C CD . LYS A 1 348 ? 11.663 6.140 26.763 1.00 32.60 ? 487 LYS A CD 1 ATOM 2613 C CE . LYS A 1 348 ? 10.714 7.162 26.164 1.00 34.10 ? 487 LYS A CE 1 ATOM 2614 N NZ . LYS A 1 348 ? 10.555 6.976 24.694 1.00 30.59 ? 487 LYS A NZ 1 ATOM 2615 N N . VAL A 1 349 ? 14.806 7.574 30.194 1.00 20.65 ? 488 VAL A N 1 ATOM 2616 C CA . VAL A 1 349 ? 15.219 8.960 30.366 1.00 22.33 ? 488 VAL A CA 1 ATOM 2617 C C . VAL A 1 349 ? 15.057 9.745 29.068 1.00 22.15 ? 488 VAL A C 1 ATOM 2618 O O . VAL A 1 349 ? 15.439 9.274 27.997 1.00 25.38 ? 488 VAL A O 1 ATOM 2619 C CB . VAL A 1 349 ? 16.688 9.047 30.827 1.00 22.40 ? 488 VAL A CB 1 ATOM 2620 C CG1 . VAL A 1 349 ? 17.136 10.499 30.934 1.00 22.90 ? 488 VAL A CG1 1 ATOM 2621 C CG2 . VAL A 1 349 ? 16.871 8.323 32.154 1.00 21.50 ? 488 VAL A CG2 1 ATOM 2622 N N . VAL A 1 350 ? 14.481 10.939 29.165 1.00 25.58 ? 489 VAL A N 1 ATOM 2623 C CA . VAL A 1 350 ? 14.380 11.828 28.014 1.00 23.88 ? 489 VAL A CA 1 ATOM 2624 C C . VAL A 1 350 ? 14.906 13.221 28.348 1.00 26.46 ? 489 VAL A C 1 ATOM 2625 O O . VAL A 1 350 ? 14.840 13.663 29.496 1.00 24.37 ? 489 VAL A O 1 ATOM 2626 C CB . VAL A 1 350 ? 12.934 11.930 27.482 1.00 28.70 ? 489 VAL A CB 1 ATOM 2627 C CG1 . VAL A 1 350 ? 12.444 10.573 27.001 1.00 30.80 ? 489 VAL A CG1 1 ATOM 2628 C CG2 . VAL A 1 350 ? 12.009 12.488 28.547 1.00 29.36 ? 489 VAL A CG2 1 ATOM 2629 N N . GLN A 1 351 ? 15.435 13.904 27.339 1.00 28.29 ? 490 GLN A N 1 ATOM 2630 C CA . GLN A 1 351 ? 15.952 15.254 27.515 1.00 31.95 ? 490 GLN A CA 1 ATOM 2631 C C . GLN A 1 351 ? 14.936 16.288 27.048 1.00 35.32 ? 490 GLN A C 1 ATOM 2632 O O . GLN A 1 351 ? 14.423 16.205 25.933 1.00 35.21 ? 490 GLN A O 1 ATOM 2633 C CB . GLN A 1 351 ? 17.261 15.431 26.743 1.00 35.71 ? 490 GLN A CB 1 ATOM 2634 C CG . GLN A 1 351 ? 17.904 16.796 26.918 1.00 38.20 ? 490 GLN A CG 1 ATOM 2635 C CD . GLN A 1 351 ? 19.224 16.916 26.184 1.00 46.80 ? 490 GLN A CD 1 ATOM 2636 O OE1 . GLN A 1 351 ? 19.532 16.114 25.302 1.00 53.97 ? 490 GLN A OE1 1 ATOM 2637 N NE2 . GLN A 1 351 ? 20.016 17.917 26.549 1.00 52.69 ? 490 GLN A NE2 1 ATOM 2638 N N . ILE A 1 352 ? 14.651 17.261 27.907 1.00 31.27 ? 491 ILE A N 1 ATOM 2639 C CA . ILE A 1 352 ? 13.734 18.339 27.562 1.00 40.60 ? 491 ILE A CA 1 ATOM 2640 C C . ILE A 1 352 ? 14.441 19.396 26.721 1.00 50.14 ? 491 ILE A C 1 ATOM 2641 O O . ILE A 1 352 ? 15.418 20.002 27.163 1.00 51.66 ? 491 ILE A O 1 ATOM 2642 C CB . ILE A 1 352 ? 13.152 19.008 28.820 1.00 46.55 ? 491 ILE A CB 1 ATOM 2643 C CG1 . ILE A 1 352 ? 12.535 17.958 29.747 1.00 44.58 ? 491 ILE A CG1 1 ATOM 2644 C CG2 . ILE A 1 352 ? 12.127 20.065 28.436 1.00 52.61 ? 491 ILE A CG2 1 ATOM 2645 C CD1 . ILE A 1 352 ? 11.430 17.151 29.104 1.00 42.79 ? 491 ILE A CD1 1 ATOM 2646 N N . GLU A 1 353 ? 13.945 19.612 25.508 1.00 62.84 ? 492 GLU A N 1 ATOM 2647 C CA . GLU A 1 353 ? 14.531 20.597 24.606 1.00 76.37 ? 492 GLU A CA 1 ATOM 2648 C C . GLU A 1 353 ? 14.049 22.005 24.939 1.00 73.70 ? 492 GLU A C 1 ATOM 2649 O O . GLU A 1 353 ? 14.562 22.646 25.857 1.00 72.76 ? 492 GLU A O 1 ATOM 2650 C CB . GLU A 1 353 ? 14.201 20.256 23.151 1.00 85.82 ? 492 GLU A CB 1 ATOM 2651 C CG . GLU A 1 353 ? 14.783 18.935 22.676 1.00 92.62 ? 492 GLU A CG 1 ATOM 2652 C CD . GLU A 1 353 ? 14.407 18.615 21.242 1.00 100.21 ? 492 GLU A CD 1 ATOM 2653 O OE1 . GLU A 1 353 ? 13.539 19.318 20.683 1.00 104.26 ? 492 GLU A OE1 1 ATOM 2654 O OE2 . GLU A 1 353 ? 14.981 17.663 20.673 1.00 98.50 ? 492 GLU A OE2 1 ATOM 2655 N N . VAL B 1 1 ? -30.354 -0.053 13.824 1.00 86.49 ? 44 VAL C N 1 ATOM 2656 C CA . VAL B 1 1 ? -30.965 -0.668 12.651 1.00 86.57 ? 44 VAL C CA 1 ATOM 2657 C C . VAL B 1 1 ? -29.918 -1.340 11.764 1.00 80.87 ? 44 VAL C C 1 ATOM 2658 O O . VAL B 1 1 ? -28.910 -0.731 11.402 1.00 82.93 ? 44 VAL C O 1 ATOM 2659 C CB . VAL B 1 1 ? -31.783 0.361 11.833 1.00 90.82 ? 44 VAL C CB 1 ATOM 2660 C CG1 . VAL B 1 1 ? -30.972 1.629 11.589 1.00 92.27 ? 44 VAL C CG1 1 ATOM 2661 C CG2 . VAL B 1 1 ? -32.259 -0.247 10.522 1.00 88.85 ? 44 VAL C CG2 1 ATOM 2662 N N . TRP B 1 2 ? -30.154 -2.605 11.427 1.00 68.42 ? 45 TRP C N 1 ATOM 2663 C CA . TRP B 1 2 ? -29.235 -3.345 10.570 1.00 56.24 ? 45 TRP C CA 1 ATOM 2664 C C . TRP B 1 2 ? -29.963 -4.330 9.661 1.00 52.83 ? 45 TRP C C 1 ATOM 2665 O O . TRP B 1 2 ? -31.191 -4.415 9.673 1.00 61.08 ? 45 TRP C O 1 ATOM 2666 C CB . TRP B 1 2 ? -28.183 -4.081 11.406 1.00 54.78 ? 45 TRP C CB 1 ATOM 2667 C CG . TRP B 1 2 ? -28.751 -5.134 12.308 1.00 59.55 ? 45 TRP C CG 1 ATOM 2668 C CD1 . TRP B 1 2 ? -29.127 -6.399 11.958 1.00 57.67 ? 45 TRP C CD1 1 ATOM 2669 C CD2 . TRP B 1 2 ? -28.995 -5.018 13.715 1.00 66.44 ? 45 TRP C CD2 1 ATOM 2670 N NE1 . TRP B 1 2 ? -29.598 -7.073 13.057 1.00 63.74 ? 45 TRP C NE1 1 ATOM 2671 C CE2 . TRP B 1 2 ? -29.527 -6.249 14.148 1.00 68.59 ? 45 TRP C CE2 1 ATOM 2672 C CE3 . TRP B 1 2 ? -28.820 -3.992 14.648 1.00 73.64 ? 45 TRP C CE3 1 ATOM 2673 C CZ2 . TRP B 1 2 ? -29.883 -6.481 15.475 1.00 75.84 ? 45 TRP C CZ2 1 ATOM 2674 C CZ3 . TRP B 1 2 ? -29.174 -4.225 15.965 1.00 79.91 ? 45 TRP C CZ3 1 ATOM 2675 C CH2 . TRP B 1 2 ? -29.700 -5.460 16.366 1.00 79.60 ? 45 TRP C CH2 1 ATOM 2676 N N . LYS B 1 3 ? -29.187 -5.075 8.879 1.00 54.19 ? 46 LYS C N 1 ATOM 2677 C CA . LYS B 1 3 ? -29.731 -6.040 7.933 1.00 59.90 ? 46 LYS C CA 1 ATOM 2678 C C . LYS B 1 3 ? -28.641 -7.005 7.478 1.00 56.63 ? 46 LYS C C 1 ATOM 2679 O O . LYS B 1 3 ? -27.464 -6.647 7.443 1.00 49.10 ? 46 LYS C O 1 ATOM 2680 C CB . LYS B 1 3 ? -30.327 -5.317 6.725 1.00 67.27 ? 46 LYS C CB 1 ATOM 2681 C CG . LYS B 1 3 ? -29.363 -4.355 6.049 1.00 67.89 ? 46 LYS C CG 1 ATOM 2682 C CD . LYS B 1 3 ? -30.066 -3.501 5.008 1.00 75.05 ? 46 LYS C CD 1 ATOM 2683 C CE . LYS B 1 3 ? -29.106 -2.508 4.373 1.00 70.36 ? 46 LYS C CE 1 ATOM 2684 N NZ . LYS B 1 3 ? -27.974 -3.192 3.690 1.00 59.19 ? 46 LYS C NZ 1 ATOM 2685 N N . ASP B 1 4 ? -29.039 -8.226 7.132 1.00 57.51 ? 47 ASP C N 1 ATOM 2686 C CA . ASP B 1 4 ? -28.099 -9.233 6.650 1.00 56.35 ? 47 ASP C CA 1 ATOM 2687 C C . ASP B 1 4 ? -27.432 -8.787 5.353 1.00 59.31 ? 47 ASP C C 1 ATOM 2688 O O . ASP B 1 4 ? -28.105 -8.359 4.415 1.00 62.71 ? 47 ASP C O 1 ATOM 2689 C CB . ASP B 1 4 ? -28.807 -10.573 6.438 1.00 66.24 ? 47 ASP C CB 1 ATOM 2690 C CG . ASP B 1 4 ? -29.238 -11.218 7.741 1.00 73.98 ? 47 ASP C CG 1 ATOM 2691 O OD1 . ASP B 1 4 ? -29.333 -10.502 8.760 1.00 79.23 ? 47 ASP C OD1 1 ATOM 2692 O OD2 . ASP B 1 4 ? -29.485 -12.442 7.746 1.00 72.46 ? 47 ASP C OD2 1 ATOM 2693 N N . ALA B 1 5 ? -26.108 -8.889 5.307 1.00 56.72 ? 48 ALA C N 1 ATOM 2694 C CA . ALA B 1 5 ? -25.351 -8.474 4.133 1.00 49.41 ? 48 ALA C CA 1 ATOM 2695 C C . ALA B 1 5 ? -23.983 -9.143 4.076 1.00 49.34 ? 48 ALA C C 1 ATOM 2696 O O . ALA B 1 5 ? -23.475 -9.634 5.084 1.00 53.13 ? 48 ALA C O 1 ATOM 2697 C CB . ALA B 1 5 ? -25.199 -6.959 4.109 1.00 52.45 ? 48 ALA C CB 1 ATOM 2698 N N . ASP B 1 6 ? -23.395 -9.162 2.885 1.00 46.88 ? 49 ASP C N 1 ATOM 2699 C CA . ASP B 1 6 ? -22.045 -9.675 2.703 1.00 43.40 ? 49 ASP C CA 1 ATOM 2700 C C . ASP B 1 6 ? -21.115 -8.533 2.322 1.00 40.31 ? 49 ASP C C 1 ATOM 2701 O O . ASP B 1 6 ? -21.511 -7.615 1.605 1.00 39.58 ? 49 ASP C O 1 ATOM 2702 C CB . ASP B 1 6 ? -22.015 -10.752 1.618 1.00 48.00 ? 49 ASP C CB 1 ATOM 2703 C CG . ASP B 1 6 ? -22.886 -11.944 1.956 1.00 52.77 ? 49 ASP C CG 1 ATOM 2704 O OD1 . ASP B 1 6 ? -23.158 -12.163 3.155 1.00 49.11 ? 49 ASP C OD1 1 ATOM 2705 O OD2 . ASP B 1 6 ? -23.295 -12.666 1.022 1.00 59.36 ? 49 ASP C OD2 1 ATOM 2706 N N . THR B 1 7 ? -19.881 -8.588 2.807 1.00 38.20 ? 50 THR C N 1 ATOM 2707 C CA . THR B 1 7 ? -18.891 -7.577 2.465 1.00 45.64 ? 50 THR C CA 1 ATOM 2708 C C . THR B 1 7 ? -17.486 -8.151 2.560 1.00 41.50 ? 50 THR C C 1 ATOM 2709 O O . THR B 1 7 ? -17.289 -9.266 3.042 1.00 38.21 ? 50 THR C O 1 ATOM 2710 C CB . THR B 1 7 ? -18.996 -6.341 3.379 1.00 49.50 ? 50 THR C CB 1 ATOM 2711 O OG1 . THR B 1 7 ? -18.206 -5.274 2.838 1.00 51.26 ? 50 THR C OG1 1 ATOM 2712 C CG2 . THR B 1 7 ? -18.511 -6.669 4.783 1.00 54.49 ? 50 THR C CG2 1 ATOM 2713 N N . THR B 1 8 ? -16.512 -7.381 2.091 1.00 40.58 ? 51 THR C N 1 ATOM 2714 C CA . THR B 1 8 ? -15.118 -7.795 2.142 1.00 38.86 ? 51 THR C CA 1 ATOM 2715 C C . THR B 1 8 ? -14.552 -7.619 3.546 1.00 37.76 ? 51 THR C C 1 ATOM 2716 O O . THR B 1 8 ? -14.401 -6.497 4.028 1.00 36.39 ? 51 THR C O 1 ATOM 2717 C CB . THR B 1 8 ? -14.270 -6.987 1.155 1.00 40.33 ? 51 THR C CB 1 ATOM 2718 O OG1 . THR B 1 8 ? -14.577 -5.595 1.302 1.00 54.93 ? 51 THR C OG1 1 ATOM 2719 C CG2 . THR B 1 8 ? -14.570 -7.412 -0.274 1.00 40.66 ? 51 THR C CG2 1 ATOM 2720 N N . LEU B 1 9 ? -14.247 -8.735 4.197 1.00 37.66 ? 52 LEU C N 1 ATOM 2721 C CA . LEU B 1 9 ? -13.672 -8.709 5.534 1.00 30.58 ? 52 LEU C CA 1 ATOM 2722 C C . LEU B 1 9 ? -12.160 -8.562 5.447 1.00 33.93 ? 52 LEU C C 1 ATOM 2723 O O . LEU B 1 9 ? -11.560 -8.856 4.413 1.00 32.43 ? 52 LEU C O 1 ATOM 2724 C CB . LEU B 1 9 ? -14.012 -9.999 6.281 1.00 31.84 ? 52 LEU C CB 1 ATOM 2725 C CG . LEU B 1 9 ? -15.480 -10.425 6.306 1.00 38.61 ? 52 LEU C CG 1 ATOM 2726 C CD1 . LEU B 1 9 ? -15.630 -11.780 6.978 1.00 36.17 ? 52 LEU C CD1 1 ATOM 2727 C CD2 . LEU B 1 9 ? -16.329 -9.379 7.007 1.00 36.94 ? 52 LEU C CD2 1 ATOM 2728 N N . PHE B 1 10 ? -11.547 -8.097 6.529 1.00 31.00 ? 53 PHE C N 1 ATOM 2729 C CA . PHE B 1 10 ? -10.095 -8.121 6.635 1.00 23.48 ? 53 PHE C CA 1 ATOM 2730 C C . PHE B 1 10 ? -9.691 -9.012 7.803 1.00 25.80 ? 53 PHE C C 1 ATOM 2731 O O . PHE B 1 10 ? -10.508 -9.311 8.673 1.00 30.48 ? 53 PHE C O 1 ATOM 2732 C CB . PHE B 1 10 ? -9.509 -6.710 6.770 1.00 31.45 ? 53 PHE C CB 1 ATOM 2733 C CG . PHE B 1 10 ? -9.815 -6.033 8.080 1.00 33.41 ? 53 PHE C CG 1 ATOM 2734 C CD1 . PHE B 1 10 ? -10.976 -5.296 8.240 1.00 37.89 ? 53 PHE C CD1 1 ATOM 2735 C CD2 . PHE B 1 10 ? -8.925 -6.111 9.140 1.00 29.77 ? 53 PHE C CD2 1 ATOM 2736 C CE1 . PHE B 1 10 ? -11.253 -4.663 9.439 1.00 41.42 ? 53 PHE C CE1 1 ATOM 2737 C CE2 . PHE B 1 10 ? -9.196 -5.481 10.342 1.00 34.37 ? 53 PHE C CE2 1 ATOM 2738 C CZ . PHE B 1 10 ? -10.360 -4.754 10.490 1.00 38.36 ? 53 PHE C CZ 1 ATOM 2739 N N . CYS B 1 11 ? -8.437 -9.447 7.816 1.00 25.82 ? 54 CYS C N 1 ATOM 2740 C CA . CYS B 1 11 ? -7.974 -10.344 8.867 1.00 25.63 ? 54 CYS C CA 1 ATOM 2741 C C . CYS B 1 11 ? -6.997 -9.663 9.818 1.00 27.20 ? 54 CYS C C 1 ATOM 2742 O O . CYS B 1 11 ? -6.315 -8.705 9.451 1.00 25.78 ? 54 CYS C O 1 ATOM 2743 C CB . CYS B 1 11 ? -7.356 -11.615 8.273 1.00 23.60 ? 54 CYS C CB 1 ATOM 2744 S SG . CYS B 1 11 ? -5.906 -11.347 7.225 1.00 31.63 ? 54 CYS C SG 1 ATOM 2745 N N . ALA B 1 12 ? -6.947 -10.164 11.048 1.00 26.34 ? 55 ALA C N 1 ATOM 2746 C CA . ALA B 1 12 ? -6.025 -9.655 12.051 1.00 24.62 ? 55 ALA C CA 1 ATOM 2747 C C . ALA B 1 12 ? -5.331 -10.811 12.762 1.00 21.57 ? 55 ALA C C 1 ATOM 2748 O O . ALA B 1 12 ? -5.930 -11.866 12.971 1.00 27.41 ? 55 ALA C O 1 ATOM 2749 C CB . ALA B 1 12 ? -6.759 -8.772 13.052 1.00 27.74 ? 55 ALA C CB 1 ATOM 2750 N N . SER B 1 13 ? -4.067 -10.612 13.123 1.00 28.56 ? 56 SER C N 1 ATOM 2751 C CA . SER B 1 13 ? -3.298 -11.651 13.802 1.00 24.09 ? 56 SER C CA 1 ATOM 2752 C C . SER B 1 13 ? -2.170 -11.053 14.630 1.00 30.53 ? 56 SER C C 1 ATOM 2753 O O . SER B 1 13 ? -1.953 -9.842 14.622 1.00 35.94 ? 56 SER C O 1 ATOM 2754 C CB . SER B 1 13 ? -2.705 -12.629 12.790 1.00 28.25 ? 56 SER C CB 1 ATOM 2755 O OG . SER B 1 13 ? -1.482 -12.130 12.275 1.00 33.52 ? 56 SER C OG 1 ATOM 2756 N N . ASP B 1 14 ? -1.450 -11.917 15.338 1.00 32.18 ? 57 ASP C N 1 ATOM 2757 C CA . ASP B 1 14 ? -0.298 -11.501 16.127 1.00 32.64 ? 57 ASP C CA 1 ATOM 2758 C C . ASP B 1 14 ? 0.984 -12.089 15.545 1.00 39.11 ? 57 ASP C C 1 ATOM 2759 O O . ASP B 1 14 ? 1.895 -12.468 16.281 1.00 36.96 ? 57 ASP C O 1 ATOM 2760 C CB . ASP B 1 14 ? -0.462 -11.939 17.584 1.00 39.13 ? 57 ASP C CB 1 ATOM 2761 C CG . ASP B 1 14 ? -1.641 -11.271 18.264 1.00 51.48 ? 57 ASP C CG 1 ATOM 2762 O OD1 . ASP B 1 14 ? -1.882 -10.074 17.999 1.00 54.40 ? 57 ASP C OD1 1 ATOM 2763 O OD2 . ASP B 1 14 ? -2.329 -11.942 19.063 1.00 55.82 ? 57 ASP C OD2 1 ATOM 2764 N N . ALA B 1 15 ? 1.045 -12.161 14.219 1.00 24.23 ? 58 ALA C N 1 ATOM 2765 C CA . ALA B 1 15 ? 2.194 -12.735 13.528 1.00 28.88 ? 58 ALA C CA 1 ATOM 2766 C C . ALA B 1 15 ? 3.468 -11.925 13.753 1.00 30.95 ? 58 ALA C C 1 ATOM 2767 O O . ALA B 1 15 ? 3.415 -10.725 14.022 1.00 31.07 ? 58 ALA C O 1 ATOM 2768 C CB . ALA B 1 15 ? 1.905 -12.863 12.039 1.00 28.93 ? 58 ALA C CB 1 ATOM 2769 N N . LYS B 1 16 ? 4.611 -12.594 13.640 1.00 29.16 ? 59 LYS C N 1 ATOM 2770 C CA . LYS B 1 16 ? 5.907 -11.944 13.813 1.00 39.03 ? 59 LYS C CA 1 ATOM 2771 C C . LYS B 1 16 ? 6.596 -11.734 12.467 1.00 36.18 ? 59 LYS C C 1 ATOM 2772 O O . LYS B 1 16 ? 6.652 -12.643 11.641 1.00 34.95 ? 59 LYS C O 1 ATOM 2773 C CB . LYS B 1 16 ? 6.800 -12.760 14.751 1.00 44.23 ? 59 LYS C CB 1 ATOM 2774 C CG . LYS B 1 16 ? 6.722 -12.342 16.216 1.00 59.86 ? 59 LYS C CG 1 ATOM 2775 C CD . LYS B 1 16 ? 5.305 -12.438 16.761 1.00 70.49 ? 59 LYS C CD 1 ATOM 2776 C CE . LYS B 1 16 ? 5.211 -11.865 18.166 1.00 76.43 ? 59 LYS C CE 1 ATOM 2777 N NZ . LYS B 1 16 ? 3.811 -11.867 18.674 1.00 74.03 ? 59 LYS C NZ 1 ATOM 2778 N N . ALA B 1 17 ? 7.124 -10.532 12.259 1.00 35.35 ? 60 ALA C N 1 ATOM 2779 C CA . ALA B 1 17 ? 7.700 -10.152 10.971 1.00 41.58 ? 60 ALA C CA 1 ATOM 2780 C C . ALA B 1 17 ? 9.017 -10.859 10.657 1.00 46.30 ? 60 ALA C C 1 ATOM 2781 O O . ALA B 1 17 ? 9.381 -11.014 9.491 1.00 55.46 ? 60 ALA C O 1 ATOM 2782 C CB . ALA B 1 17 ? 7.881 -8.640 10.901 1.00 43.13 ? 60 ALA C CB 1 ATOM 2783 N N . HIS B 1 18 ? 9.728 -11.285 11.695 1.00 36.85 ? 61 HIS C N 1 ATOM 2784 C CA . HIS B 1 18 ? 11.044 -11.894 11.518 1.00 45.71 ? 61 HIS C CA 1 ATOM 2785 C C . HIS B 1 18 ? 10.982 -13.408 11.320 1.00 46.44 ? 61 HIS C C 1 ATOM 2786 O O . HIS B 1 18 ? 11.995 -14.043 11.028 1.00 48.81 ? 61 HIS C O 1 ATOM 2787 C CB . HIS B 1 18 ? 11.946 -11.557 12.708 1.00 57.51 ? 61 HIS C CB 1 ATOM 2788 C CG . HIS B 1 18 ? 11.370 -11.950 14.032 1.00 61.31 ? 61 HIS C CG 1 ATOM 2789 N ND1 . HIS B 1 18 ? 11.349 -13.254 14.478 1.00 63.92 ? 61 HIS C ND1 1 ATOM 2790 C CD2 . HIS B 1 18 ? 10.789 -11.210 15.006 1.00 62.29 ? 61 HIS C CD2 1 ATOM 2791 C CE1 . HIS B 1 18 ? 10.782 -13.300 15.671 1.00 61.76 ? 61 HIS C CE1 1 ATOM 2792 N NE2 . HIS B 1 18 ? 10.433 -12.073 16.014 1.00 63.06 ? 61 HIS C NE2 1 ATOM 2793 N N . GLU B 1 19 ? 9.792 -13.979 11.475 1.00 42.52 ? 62 GLU C N 1 ATOM 2794 C CA . GLU B 1 19 ? 9.613 -15.425 11.371 1.00 30.12 ? 62 GLU C CA 1 ATOM 2795 C C . GLU B 1 19 ? 9.621 -15.923 9.928 1.00 34.23 ? 62 GLU C C 1 ATOM 2796 O O . GLU B 1 19 ? 9.168 -15.229 9.018 1.00 37.54 ? 62 GLU C O 1 ATOM 2797 C CB . GLU B 1 19 ? 8.310 -15.851 12.054 1.00 33.11 ? 62 GLU C CB 1 ATOM 2798 C CG . GLU B 1 19 ? 8.481 -16.347 13.481 1.00 48.78 ? 62 GLU C CG 1 ATOM 2799 C CD . GLU B 1 19 ? 9.053 -17.753 13.549 1.00 51.76 ? 62 GLU C CD 1 ATOM 2800 O OE1 . GLU B 1 19 ? 9.335 -18.226 14.670 1.00 61.15 ? 62 GLU C OE1 1 ATOM 2801 O OE2 . GLU B 1 19 ? 9.216 -18.388 12.485 1.00 33.69 ? 62 GLU C OE2 1 ATOM 2802 N N . THR B 1 20 ? 10.136 -17.132 9.728 1.00 29.86 ? 63 THR C N 1 ATOM 2803 C CA . THR B 1 20 ? 10.115 -17.760 8.412 1.00 32.80 ? 63 THR C CA 1 ATOM 2804 C C . THR B 1 20 ? 8.972 -18.764 8.312 1.00 31.05 ? 63 THR C C 1 ATOM 2805 O O . THR B 1 20 ? 8.720 -19.326 7.245 1.00 29.29 ? 63 THR C O 1 ATOM 2806 C CB . THR B 1 20 ? 11.444 -18.468 8.087 1.00 38.20 ? 63 THR C CB 1 ATOM 2807 O OG1 . THR B 1 20 ? 11.663 -19.534 9.018 1.00 44.49 ? 63 THR C OG1 1 ATOM 2808 C CG2 . THR B 1 20 ? 12.604 -17.486 8.157 1.00 39.60 ? 63 THR C CG2 1 ATOM 2809 N N . GLU B 1 21 ? 8.288 -18.992 9.430 1.00 24.66 ? 64 GLU C N 1 ATOM 2810 C CA . GLU B 1 21 ? 7.119 -19.866 9.441 1.00 22.65 ? 64 GLU C CA 1 ATOM 2811 C C . GLU B 1 21 ? 6.060 -19.267 8.521 1.00 23.44 ? 64 GLU C C 1 ATOM 2812 O O . GLU B 1 21 ? 5.781 -18.069 8.583 1.00 23.32 ? 64 GLU C O 1 ATOM 2813 C CB . GLU B 1 21 ? 6.584 -20.041 10.864 1.00 22.09 ? 64 GLU C CB 1 ATOM 2814 C CG . GLU B 1 21 ? 5.576 -21.172 11.024 1.00 25.35 ? 64 GLU C CG 1 ATOM 2815 C CD . GLU B 1 21 ? 4.191 -20.792 10.544 1.00 29.95 ? 64 GLU C CD 1 ATOM 2816 O OE1 . GLU B 1 21 ? 3.758 -19.655 10.828 1.00 27.18 ? 64 GLU C OE1 1 ATOM 2817 O OE2 . GLU B 1 21 ? 3.542 -21.622 9.874 1.00 26.26 ? 64 GLU C OE2 1 ATOM 2818 N N . VAL B 1 22 ? 5.479 -20.107 7.670 1.00 26.01 ? 65 VAL C N 1 ATOM 2819 C CA . VAL B 1 22 ? 4.668 -19.636 6.546 1.00 27.37 ? 65 VAL C CA 1 ATOM 2820 C C . VAL B 1 22 ? 3.370 -18.917 6.923 1.00 24.21 ? 65 VAL C C 1 ATOM 2821 O O . VAL B 1 22 ? 2.976 -17.962 6.252 1.00 20.48 ? 65 VAL C O 1 ATOM 2822 C CB . VAL B 1 22 ? 4.374 -20.771 5.539 1.00 21.21 ? 65 VAL C CB 1 ATOM 2823 C CG1 . VAL B 1 22 ? 5.662 -21.225 4.865 1.00 23.39 ? 65 VAL C CG1 1 ATOM 2824 C CG2 . VAL B 1 22 ? 3.679 -21.941 6.223 1.00 23.04 ? 65 VAL C CG2 1 ATOM 2825 N N . HIS B 1 23 ? 2.707 -19.368 7.984 1.00 19.17 ? 66 HIS C N 1 ATOM 2826 C CA . HIS B 1 23 ? 1.496 -18.697 8.451 1.00 24.20 ? 66 HIS C CA 1 ATOM 2827 C C . HIS B 1 23 ? 1.823 -17.295 8.957 1.00 22.98 ? 66 HIS C C 1 ATOM 2828 O O . HIS B 1 23 ? 1.072 -16.347 8.720 1.00 20.84 ? 66 HIS C O 1 ATOM 2829 C CB . HIS B 1 23 ? 0.802 -19.509 9.547 1.00 23.09 ? 66 HIS C CB 1 ATOM 2830 C CG . HIS B 1 23 ? 0.243 -20.815 9.074 1.00 26.72 ? 66 HIS C CG 1 ATOM 2831 N ND1 . HIS B 1 23 ? 1.001 -21.963 8.987 1.00 22.09 ? 66 HIS C ND1 1 ATOM 2832 C CD2 . HIS B 1 23 ? -1.002 -21.155 8.663 1.00 25.01 ? 66 HIS C CD2 1 ATOM 2833 C CE1 . HIS B 1 23 ? 0.248 -22.954 8.545 1.00 24.18 ? 66 HIS C CE1 1 ATOM 2834 N NE2 . HIS B 1 23 ? -0.972 -22.491 8.341 1.00 22.39 ? 66 HIS C NE2 1 ATOM 2835 N N . ASN B 1 24 ? 2.949 -17.169 9.652 1.00 22.39 ? 67 ASN C N 1 ATOM 2836 C CA . ASN B 1 24 ? 3.425 -15.870 10.109 1.00 22.24 ? 67 ASN C CA 1 ATOM 2837 C C . ASN B 1 24 ? 3.732 -14.938 8.945 1.00 24.46 ? 67 ASN C C 1 ATOM 2838 O O . ASN B 1 24 ? 3.342 -13.771 8.954 1.00 22.74 ? 67 ASN C O 1 ATOM 2839 C CB . ASN B 1 24 ? 4.669 -16.026 10.986 1.00 24.08 ? 67 ASN C CB 1 ATOM 2840 C CG . ASN B 1 24 ? 4.334 -16.419 12.408 1.00 27.53 ? 67 ASN C CG 1 ATOM 2841 O OD1 . ASN B 1 24 ? 4.177 -15.563 13.279 1.00 30.44 ? 67 ASN C OD1 1 ATOM 2842 N ND2 . ASN B 1 24 ? 4.223 -17.720 12.653 1.00 23.99 ? 67 ASN C ND2 1 ATOM 2843 N N . VAL B 1 25 ? 4.436 -15.463 7.948 1.00 21.92 ? 68 VAL C N 1 ATOM 2844 C CA . VAL B 1 25 ? 4.802 -14.682 6.771 1.00 29.06 ? 68 VAL C CA 1 ATOM 2845 C C . VAL B 1 25 ? 3.564 -14.164 6.045 1.00 23.83 ? 68 VAL C C 1 ATOM 2846 O O . VAL B 1 25 ? 3.484 -12.981 5.708 1.00 22.80 ? 68 VAL C O 1 ATOM 2847 C CB . VAL B 1 25 ? 5.675 -15.500 5.798 1.00 24.29 ? 68 VAL C CB 1 ATOM 2848 C CG1 . VAL B 1 25 ? 5.888 -14.738 4.499 1.00 27.18 ? 68 VAL C CG1 1 ATOM 2849 C CG2 . VAL B 1 25 ? 7.010 -15.844 6.446 1.00 26.23 ? 68 VAL C CG2 1 ATOM 2850 N N . TRP B 1 26 ? 2.595 -15.047 5.821 1.00 23.59 ? 69 TRP C N 1 ATOM 2851 C CA . TRP B 1 26 ? 1.359 -14.664 5.144 1.00 20.62 ? 69 TRP C CA 1 ATOM 2852 C C . TRP B 1 26 ? 0.602 -13.600 5.932 1.00 25.09 ? 69 TRP C C 1 ATOM 2853 O O . TRP B 1 26 ? 0.212 -12.571 5.384 1.00 25.05 ? 69 TRP C O 1 ATOM 2854 C CB . TRP B 1 26 ? 0.461 -15.881 4.907 1.00 18.11 ? 69 TRP C CB 1 ATOM 2855 C CG . TRP B 1 26 ? -0.824 -15.533 4.209 1.00 23.34 ? 69 TRP C CG 1 ATOM 2856 C CD1 . TRP B 1 26 ? -1.021 -15.416 2.865 1.00 30.18 ? 69 TRP C CD1 1 ATOM 2857 C CD2 . TRP B 1 26 ? -2.087 -15.246 4.825 1.00 23.89 ? 69 TRP C CD2 1 ATOM 2858 N NE1 . TRP B 1 26 ? -2.327 -15.077 2.604 1.00 26.35 ? 69 TRP C NE1 1 ATOM 2859 C CE2 . TRP B 1 26 ? -3.002 -14.967 3.790 1.00 29.07 ? 69 TRP C CE2 1 ATOM 2860 C CE3 . TRP B 1 26 ? -2.532 -15.200 6.150 1.00 24.13 ? 69 TRP C CE3 1 ATOM 2861 C CZ2 . TRP B 1 26 ? -4.336 -14.649 4.039 1.00 26.91 ? 69 TRP C CZ2 1 ATOM 2862 C CZ3 . TRP B 1 26 ? -3.856 -14.884 6.395 1.00 31.46 ? 69 TRP C CZ3 1 ATOM 2863 C CH2 . TRP B 1 26 ? -4.742 -14.612 5.345 1.00 26.88 ? 69 TRP C CH2 1 ATOM 2864 N N . ALA B 1 27 ? 0.413 -13.847 7.224 1.00 22.12 ? 70 ALA C N 1 ATOM 2865 C CA . ALA B 1 27 ? -0.337 -12.930 8.078 1.00 20.74 ? 70 ALA C CA 1 ATOM 2866 C C . ALA B 1 27 ? 0.357 -11.578 8.239 1.00 33.14 ? 70 ALA C C 1 ATOM 2867 O O . ALA B 1 27 ? -0.294 -10.568 8.506 1.00 26.51 ? 70 ALA C O 1 ATOM 2868 C CB . ALA B 1 27 ? -0.597 -13.565 9.436 1.00 23.97 ? 70 ALA C CB 1 ATOM 2869 N N . THR B 1 28 ? 1.676 -11.561 8.074 1.00 20.78 ? 71 THR C N 1 ATOM 2870 C CA . THR B 1 28 ? 2.441 -10.321 8.179 1.00 25.31 ? 71 THR C CA 1 ATOM 2871 C C . THR B 1 28 ? 2.087 -9.345 7.057 1.00 31.34 ? 71 THR C C 1 ATOM 2872 O O . THR B 1 28 ? 1.975 -8.139 7.285 1.00 25.92 ? 71 THR C O 1 ATOM 2873 C CB . THR B 1 28 ? 3.964 -10.592 8.189 1.00 30.39 ? 71 THR C CB 1 ATOM 2874 O OG1 . THR B 1 28 ? 4.317 -11.282 9.395 1.00 31.78 ? 71 THR C OG1 1 ATOM 2875 C CG2 . THR B 1 28 ? 4.749 -9.291 8.118 1.00 32.54 ? 71 THR C CG2 1 ATOM 2876 N N . HIS B 1 29 ? 1.895 -9.865 5.849 1.00 29.19 ? 72 HIS C N 1 ATOM 2877 C CA . HIS B 1 29 ? 1.606 -9.001 4.707 1.00 31.95 ? 72 HIS C CA 1 ATOM 2878 C C . HIS B 1 29 ? 0.123 -8.953 4.333 1.00 29.50 ? 72 HIS C C 1 ATOM 2879 O O . HIS B 1 29 ? -0.309 -8.052 3.614 1.00 30.61 ? 72 HIS C O 1 ATOM 2880 C CB . HIS B 1 29 ? 2.461 -9.387 3.491 1.00 36.38 ? 72 HIS C CB 1 ATOM 2881 C CG . HIS B 1 29 ? 2.110 -10.713 2.891 1.00 32.43 ? 72 HIS C CG 1 ATOM 2882 N ND1 . HIS B 1 29 ? 0.955 -10.922 2.166 1.00 44.04 ? 72 HIS C ND1 1 ATOM 2883 C CD2 . HIS B 1 29 ? 2.769 -11.895 2.893 1.00 37.29 ? 72 HIS C CD2 1 ATOM 2884 C CE1 . HIS B 1 29 ? 0.914 -12.177 1.757 1.00 37.43 ? 72 HIS C CE1 1 ATOM 2885 N NE2 . HIS B 1 29 ? 2.004 -12.789 2.185 1.00 40.38 ? 72 HIS C NE2 1 ATOM 2886 N N . ALA B 1 30 ? -0.655 -9.911 4.828 1.00 23.54 ? 73 ALA C N 1 ATOM 2887 C CA . ALA B 1 30 ? -2.069 -9.996 4.467 1.00 28.03 ? 73 ALA C CA 1 ATOM 2888 C C . ALA B 1 30 ? -3.017 -9.599 5.598 1.00 29.17 ? 73 ALA C C 1 ATOM 2889 O O . ALA B 1 30 ? -4.207 -9.387 5.367 1.00 26.35 ? 73 ALA C O 1 ATOM 2890 C CB . ALA B 1 30 ? -2.407 -11.393 3.957 1.00 26.57 ? 73 ALA C CB 1 ATOM 2891 N N . CYS B 1 31 ? -2.494 -9.502 6.816 1.00 22.47 ? 74 CYS C N 1 ATOM 2892 C CA . CYS B 1 31 ? -3.314 -9.138 7.969 1.00 23.22 ? 74 CYS C CA 1 ATOM 2893 C C . CYS B 1 31 ? -2.745 -7.929 8.705 1.00 23.76 ? 74 CYS C C 1 ATOM 2894 O O . CYS B 1 31 ? -1.604 -7.531 8.477 1.00 29.77 ? 74 CYS C O 1 ATOM 2895 C CB . CYS B 1 31 ? -3.441 -10.317 8.941 1.00 30.25 ? 74 CYS C CB 1 ATOM 2896 S SG . CYS B 1 31 ? -4.220 -11.807 8.266 1.00 28.54 ? 74 CYS C SG 1 ATOM 2897 N N . VAL B 1 32 ? -3.556 -7.349 9.585 1.00 24.28 ? 75 VAL C N 1 ATOM 2898 C CA . VAL B 1 32 ? -3.119 -6.265 10.459 1.00 25.53 ? 75 VAL C CA 1 ATOM 2899 C C . VAL B 1 32 ? -2.991 -6.799 11.888 1.00 27.21 ? 75 VAL C C 1 ATOM 2900 O O . VAL B 1 32 ? -3.487 -7.883 12.185 1.00 26.88 ? 75 VAL C O 1 ATOM 2901 C CB . VAL B 1 32 ? -4.117 -5.086 10.429 1.00 32.87 ? 75 VAL C CB 1 ATOM 2902 C CG1 . VAL B 1 32 ? -4.087 -4.393 9.072 1.00 33.77 ? 75 VAL C CG1 1 ATOM 2903 C CG2 . VAL B 1 32 ? -5.521 -5.567 10.762 1.00 33.78 ? 75 VAL C CG2 1 ATOM 2904 N N . PRO B 1 33 ? -2.301 -6.060 12.773 1.00 30.28 ? 76 PRO C N 1 ATOM 2905 C CA . PRO B 1 33 ? -2.250 -6.469 14.183 1.00 31.80 ? 76 PRO C CA 1 ATOM 2906 C C . PRO B 1 33 ? -3.631 -6.519 14.836 1.00 34.37 ? 76 PRO C C 1 ATOM 2907 O O . PRO B 1 33 ? -4.545 -5.817 14.404 1.00 34.81 ? 76 PRO C O 1 ATOM 2908 C CB . PRO B 1 33 ? -1.405 -5.369 14.828 1.00 37.21 ? 76 PRO C CB 1 ATOM 2909 C CG . PRO B 1 33 ? -0.512 -4.911 13.737 1.00 43.74 ? 76 PRO C CG 1 ATOM 2910 C CD . PRO B 1 33 ? -1.337 -4.983 12.482 1.00 37.97 ? 76 PRO C CD 1 ATOM 2911 N N . THR B 1 34 ? -3.774 -7.343 15.869 1.00 38.60 ? 77 THR C N 1 ATOM 2912 C CA . THR B 1 34 ? -5.048 -7.483 16.567 1.00 34.61 ? 77 THR C CA 1 ATOM 2913 C C . THR B 1 34 ? -5.366 -6.258 17.417 1.00 42.64 ? 77 THR C C 1 ATOM 2914 O O . THR B 1 34 ? -4.479 -5.474 17.753 1.00 47.51 ? 77 THR C O 1 ATOM 2915 C CB . THR B 1 34 ? -5.062 -8.722 17.479 1.00 38.96 ? 77 THR C CB 1 ATOM 2916 O OG1 . THR B 1 34 ? -4.006 -8.620 18.443 1.00 38.77 ? 77 THR C OG1 1 ATOM 2917 C CG2 . THR B 1 34 ? -4.879 -9.988 16.662 1.00 32.88 ? 77 THR C CG2 1 ATOM 2918 N N . ASP B 1 35 ? -6.641 -6.104 17.760 1.00 49.31 ? 78 ASP C N 1 ATOM 2919 C CA . ASP B 1 35 ? -7.080 -5.023 18.632 1.00 50.45 ? 78 ASP C CA 1 ATOM 2920 C C . ASP B 1 35 ? -6.793 -5.401 20.080 1.00 48.07 ? 78 ASP C C 1 ATOM 2921 O O . ASP B 1 35 ? -7.339 -6.381 20.587 1.00 46.94 ? 78 ASP C O 1 ATOM 2922 C CB . ASP B 1 35 ? -8.576 -4.763 18.440 1.00 57.00 ? 78 ASP C CB 1 ATOM 2923 C CG . ASP B 1 35 ? -9.017 -3.415 18.987 1.00 69.31 ? 78 ASP C CG 1 ATOM 2924 O OD1 . ASP B 1 35 ? -8.371 -2.898 19.922 1.00 73.51 ? 78 ASP C OD1 1 ATOM 2925 O OD2 . ASP B 1 35 ? -10.019 -2.870 18.478 1.00 68.13 ? 78 ASP C OD2 1 ATOM 2926 N N . PRO B 1 36 ? -5.927 -4.625 20.750 1.00 60.70 ? 79 PRO C N 1 ATOM 2927 C CA . PRO B 1 36 ? -5.566 -4.891 22.147 1.00 66.56 ? 79 PRO C CA 1 ATOM 2928 C C . PRO B 1 36 ? -6.745 -4.676 23.089 1.00 72.27 ? 79 PRO C C 1 ATOM 2929 O O . PRO B 1 36 ? -6.787 -5.266 24.168 1.00 78.01 ? 79 PRO C O 1 ATOM 2930 C CB . PRO B 1 36 ? -4.470 -3.858 22.426 1.00 71.01 ? 79 PRO C CB 1 ATOM 2931 C CG . PRO B 1 36 ? -4.734 -2.758 21.457 1.00 69.27 ? 79 PRO C CG 1 ATOM 2932 C CD . PRO B 1 36 ? -5.237 -3.437 20.219 1.00 62.86 ? 79 PRO C CD 1 ATOM 2933 N N . ASN B 1 37 ? -7.691 -3.839 22.677 1.00 72.62 ? 80 ASN C N 1 ATOM 2934 C CA . ASN B 1 37 ? -8.872 -3.566 23.485 1.00 77.98 ? 80 ASN C CA 1 ATOM 2935 C C . ASN B 1 37 ? -10.155 -3.772 22.685 1.00 77.88 ? 80 ASN C C 1 ATOM 2936 O O . ASN B 1 37 ? -10.802 -2.804 22.283 1.00 82.13 ? 80 ASN C O 1 ATOM 2937 C CB . ASN B 1 37 ? -8.815 -2.140 24.039 1.00 82.30 ? 80 ASN C CB 1 ATOM 2938 C CG . ASN B 1 37 ? -9.409 -2.029 25.429 1.00 88.83 ? 80 ASN C CG 1 ATOM 2939 O OD1 . ASN B 1 37 ? -8.731 -2.273 26.426 1.00 94.79 ? 80 ASN C OD1 1 ATOM 2940 N ND2 . ASN B 1 37 ? -10.681 -1.653 25.502 1.00 89.66 ? 80 ASN C ND2 1 ATOM 2941 N N . PRO B 1 38 ? -10.527 -5.041 22.450 1.00 70.22 ? 81 PRO C N 1 ATOM 2942 C CA . PRO B 1 38 ? -11.712 -5.370 21.651 1.00 68.96 ? 81 PRO C CA 1 ATOM 2943 C C . PRO B 1 38 ? -13.004 -5.007 22.375 1.00 71.58 ? 81 PRO C C 1 ATOM 2944 O O . PRO B 1 38 ? -13.076 -5.116 23.599 1.00 75.89 ? 81 PRO C O 1 ATOM 2945 C CB . PRO B 1 38 ? -11.606 -6.887 21.482 1.00 61.77 ? 81 PRO C CB 1 ATOM 2946 C CG . PRO B 1 38 ? -10.851 -7.340 22.679 1.00 69.42 ? 81 PRO C CG 1 ATOM 2947 C CD . PRO B 1 38 ? -9.862 -6.248 22.972 1.00 72.01 ? 81 PRO C CD 1 ATOM 2948 N N . GLN B 1 39 ? -14.012 -4.582 21.619 1.00 68.19 ? 82 GLN C N 1 ATOM 2949 C CA . GLN B 1 39 ? -15.275 -4.150 22.206 1.00 74.27 ? 82 GLN C CA 1 ATOM 2950 C C . GLN B 1 39 ? -16.446 -5.036 21.799 1.00 68.89 ? 82 GLN C C 1 ATOM 2951 O O . GLN B 1 39 ? -16.816 -5.099 20.627 1.00 76.85 ? 82 GLN C O 1 ATOM 2952 C CB . GLN B 1 39 ? -15.566 -2.693 21.838 1.00 84.36 ? 82 GLN C CB 1 ATOM 2953 C CG . GLN B 1 39 ? -14.632 -1.696 22.500 1.00 91.13 ? 82 GLN C CG 1 ATOM 2954 C CD . GLN B 1 39 ? -14.716 -1.744 24.013 1.00 97.57 ? 82 GLN C CD 1 ATOM 2955 O OE1 . GLN B 1 39 ? -15.796 -1.622 24.591 1.00 98.03 ? 82 GLN C OE1 1 ATOM 2956 N NE2 . GLN B 1 39 ? -13.574 -1.930 24.664 1.00 98.15 ? 82 GLN C NE2 1 ATOM 2957 N N . GLU B 1 40 ? -17.024 -5.720 22.781 1.00 64.29 ? 83 GLU C N 1 ATOM 2958 C CA . GLU B 1 40 ? -18.214 -6.530 22.559 1.00 56.39 ? 83 GLU C CA 1 ATOM 2959 C C . GLU B 1 40 ? -19.406 -5.901 23.268 1.00 59.34 ? 83 GLU C C 1 ATOM 2960 O O . GLU B 1 40 ? -19.336 -5.583 24.456 1.00 61.12 ? 83 GLU C O 1 ATOM 2961 C CB . GLU B 1 40 ? -17.994 -7.959 23.057 1.00 54.28 ? 83 GLU C CB 1 ATOM 2962 C CG . GLU B 1 40 ? -19.207 -8.862 22.900 1.00 60.16 ? 83 GLU C CG 1 ATOM 2963 C CD . GLU B 1 40 ? -18.940 -10.283 23.353 1.00 63.45 ? 83 GLU C CD 1 ATOM 2964 O OE1 . GLU B 1 40 ? -17.835 -10.546 23.873 1.00 67.69 ? 83 GLU C OE1 1 ATOM 2965 O OE2 . GLU B 1 40 ? -19.835 -11.138 23.187 1.00 63.04 ? 83 GLU C OE2 1 ATOM 2966 N N . ILE B 1 41 ? -20.499 -5.717 22.535 1.00 57.48 ? 84 ILE C N 1 ATOM 2967 C CA . ILE B 1 41 ? -21.689 -5.083 23.089 1.00 66.91 ? 84 ILE C CA 1 ATOM 2968 C C . ILE B 1 41 ? -22.900 -6.006 23.027 1.00 65.10 ? 84 ILE C C 1 ATOM 2969 O O . ILE B 1 41 ? -23.322 -6.420 21.948 1.00 58.90 ? 84 ILE C O 1 ATOM 2970 C CB . ILE B 1 41 ? -22.023 -3.773 22.351 1.00 68.13 ? 84 ILE C CB 1 ATOM 2971 C CG1 . ILE B 1 41 ? -20.843 -2.801 22.426 1.00 67.52 ? 84 ILE C CG1 1 ATOM 2972 C CG2 . ILE B 1 41 ? -23.279 -3.141 22.931 1.00 68.71 ? 84 ILE C CG2 1 ATOM 2973 C CD1 . ILE B 1 41 ? -21.084 -1.492 21.705 1.00 69.68 ? 84 ILE C CD1 1 ATOM 2974 N N . HIS B 1 42 ? -23.455 -6.324 24.192 1.00 69.49 ? 85 HIS C N 1 ATOM 2975 C CA . HIS B 1 42 ? -24.654 -7.149 24.266 1.00 72.71 ? 85 HIS C CA 1 ATOM 2976 C C . HIS B 1 42 ? -25.868 -6.387 23.750 1.00 72.52 ? 85 HIS C C 1 ATOM 2977 O O . HIS B 1 42 ? -26.061 -5.216 24.076 1.00 84.21 ? 85 HIS C O 1 ATOM 2978 C CB . HIS B 1 42 ? -24.902 -7.613 25.703 1.00 83.69 ? 85 HIS C CB 1 ATOM 2979 C CG . HIS B 1 42 ? -26.213 -8.312 25.893 1.00 88.94 ? 85 HIS C CG 1 ATOM 2980 N ND1 . HIS B 1 42 ? -26.534 -9.483 25.242 1.00 84.37 ? 85 HIS C ND1 1 ATOM 2981 C CD2 . HIS B 1 42 ? -27.286 -8.001 26.659 1.00 94.39 ? 85 HIS C CD2 1 ATOM 2982 C CE1 . HIS B 1 42 ? -27.747 -9.866 25.599 1.00 87.67 ? 85 HIS C CE1 1 ATOM 2983 N NE2 . HIS B 1 42 ? -28.225 -8.984 26.458 1.00 95.53 ? 85 HIS C NE2 1 ATOM 2984 N N . LEU B 1 43 ? -26.681 -7.056 22.941 1.00 68.41 ? 86 LEU C N 1 ATOM 2985 C CA . LEU B 1 43 ? -27.884 -6.445 22.392 1.00 70.13 ? 86 LEU C CA 1 ATOM 2986 C C . LEU B 1 43 ? -29.106 -6.861 23.205 1.00 77.71 ? 86 LEU C C 1 ATOM 2987 O O . LEU B 1 43 ? -29.542 -8.011 23.145 1.00 76.10 ? 86 LEU C O 1 ATOM 2988 C CB . LEU B 1 43 ? -28.056 -6.828 20.922 1.00 64.96 ? 86 LEU C CB 1 ATOM 2989 C CG . LEU B 1 43 ? -26.845 -6.547 20.028 1.00 62.24 ? 86 LEU C CG 1 ATOM 2990 C CD1 . LEU B 1 43 ? -27.154 -6.878 18.576 1.00 60.30 ? 86 LEU C CD1 1 ATOM 2991 C CD2 . LEU B 1 43 ? -26.389 -5.101 20.168 1.00 65.45 ? 86 LEU C CD2 1 ATOM 2992 N N . GLU B 1 44 ? -29.651 -5.915 23.963 1.00 85.90 ? 87 GLU C N 1 ATOM 2993 C CA . GLU B 1 44 ? -30.739 -6.199 24.893 1.00 90.02 ? 87 GLU C CA 1 ATOM 2994 C C . GLU B 1 44 ? -32.047 -6.550 24.191 1.00 86.18 ? 87 GLU C C 1 ATOM 2995 O O . GLU B 1 44 ? -32.542 -5.787 23.360 1.00 85.14 ? 87 GLU C O 1 ATOM 2996 C CB . GLU B 1 44 ? -30.954 -5.012 25.837 1.00 96.40 ? 87 GLU C CB 1 ATOM 2997 C CG . GLU B 1 44 ? -31.959 -5.271 26.949 1.00 104.87 ? 87 GLU C CG 1 ATOM 2998 C CD . GLU B 1 44 ? -31.438 -6.231 28.003 1.00 111.71 ? 87 GLU C CD 1 ATOM 2999 O OE1 . GLU B 1 44 ? -30.216 -6.490 28.029 1.00 110.53 ? 87 GLU C OE1 1 ATOM 3000 O OE2 . GLU B 1 44 ? -32.253 -6.727 28.810 1.00 115.25 ? 87 GLU C OE2 1 ATOM 3001 N N . ASN B 1 45 ? -32.594 -7.713 24.539 1.00 88.37 ? 88 ASN C N 1 ATOM 3002 C CA . ASN B 1 45 ? -33.885 -8.172 24.032 1.00 87.78 ? 88 ASN C CA 1 ATOM 3003 C C . ASN B 1 45 ? -33.965 -8.216 22.506 1.00 87.60 ? 88 ASN C C 1 ATOM 3004 O O . ASN B 1 45 ? -34.969 -7.819 21.914 1.00 85.24 ? 88 ASN C O 1 ATOM 3005 C CB . ASN B 1 45 ? -35.021 -7.319 24.605 1.00 85.78 ? 88 ASN C CB 1 ATOM 3006 C CG . ASN B 1 45 ? -36.230 -8.146 24.997 1.00 88.11 ? 88 ASN C CG 1 ATOM 3007 O OD1 . ASN B 1 45 ? -36.161 -9.373 25.063 1.00 83.83 ? 88 ASN C OD1 1 ATOM 3008 N ND2 . ASN B 1 45 ? -37.343 -7.475 25.268 1.00 93.20 ? 88 ASN C ND2 1 ATOM 3009 N N . VAL B 1 46 ? -32.899 -8.704 21.879 1.00 84.24 ? 89 VAL C N 1 ATOM 3010 C CA . VAL B 1 46 ? -32.839 -8.803 20.425 1.00 79.38 ? 89 VAL C CA 1 ATOM 3011 C C . VAL B 1 46 ? -32.651 -10.249 19.977 1.00 79.17 ? 89 VAL C C 1 ATOM 3012 O O . VAL B 1 46 ? -31.724 -10.929 20.417 1.00 82.21 ? 89 VAL C O 1 ATOM 3013 C CB . VAL B 1 46 ? -31.696 -7.942 19.850 1.00 76.32 ? 89 VAL C CB 1 ATOM 3014 C CG1 . VAL B 1 46 ? -31.521 -8.209 18.362 1.00 71.65 ? 89 VAL C CG1 1 ATOM 3015 C CG2 . VAL B 1 46 ? -31.960 -6.467 20.107 1.00 83.20 ? 89 VAL C CG2 1 ATOM 3016 N N . THR B 1 47 ? -33.538 -10.713 19.103 1.00 78.91 ? 90 THR C N 1 ATOM 3017 C CA . THR B 1 47 ? -33.453 -12.068 18.570 1.00 76.53 ? 90 THR C CA 1 ATOM 3018 C C . THR B 1 47 ? -33.038 -12.051 17.102 1.00 74.36 ? 90 THR C C 1 ATOM 3019 O O . THR B 1 47 ? -33.686 -11.414 16.272 1.00 72.18 ? 90 THR C O 1 ATOM 3020 C CB . THR B 1 47 ? -34.793 -12.813 18.709 1.00 77.59 ? 90 THR C CB 1 ATOM 3021 O OG1 . THR B 1 47 ? -35.165 -12.881 20.091 1.00 81.61 ? 90 THR C OG1 1 ATOM 3022 C CG2 . THR B 1 47 ? -34.680 -14.223 18.150 1.00 74.41 ? 90 THR C CG2 1 ATOM 3023 N N . GLU B 1 48 ? -31.953 -12.752 16.790 1.00 70.60 ? 91 GLU C N 1 ATOM 3024 C CA . GLU B 1 48 ? -31.446 -12.810 15.423 1.00 66.60 ? 91 GLU C CA 1 ATOM 3025 C C . GLU B 1 48 ? -31.437 -14.232 14.873 1.00 61.86 ? 91 GLU C C 1 ATOM 3026 O O . GLU B 1 48 ? -31.176 -15.189 15.601 1.00 53.07 ? 91 GLU C O 1 ATOM 3027 C CB . GLU B 1 48 ? -30.040 -12.212 15.344 1.00 68.26 ? 91 GLU C CB 1 ATOM 3028 C CG . GLU B 1 48 ? -30.013 -10.696 15.241 1.00 73.78 ? 91 GLU C CG 1 ATOM 3029 C CD . GLU B 1 48 ? -30.511 -10.195 13.898 1.00 75.87 ? 91 GLU C CD 1 ATOM 3030 O OE1 . GLU B 1 48 ? -30.525 -10.986 12.931 1.00 74.71 ? 91 GLU C OE1 1 ATOM 3031 O OE2 . GLU B 1 48 ? -30.891 -9.010 13.809 1.00 81.20 ? 91 GLU C OE2 1 ATOM 3032 N N . ASN B 1 49 ? -31.722 -14.359 13.581 1.00 54.14 ? 92 ASN C N 1 ATOM 3033 C CA . ASN B 1 49 ? -31.704 -15.654 12.913 1.00 54.15 ? 92 ASN C CA 1 ATOM 3034 C C . ASN B 1 49 ? -30.354 -15.929 12.261 1.00 57.35 ? 92 ASN C C 1 ATOM 3035 O O . ASN B 1 49 ? -29.830 -15.095 11.521 1.00 53.83 ? 92 ASN C O 1 ATOM 3036 C CB . ASN B 1 49 ? -32.820 -15.733 11.870 1.00 62.94 ? 92 ASN C CB 1 ATOM 3037 C CG . ASN B 1 49 ? -34.198 -15.540 12.475 1.00 71.71 ? 92 ASN C CG 1 ATOM 3038 O OD1 . ASN B 1 49 ? -34.451 -15.940 13.611 1.00 72.24 ? 92 ASN C OD1 1 ATOM 3039 N ND2 . ASN B 1 49 ? -35.095 -14.922 11.716 1.00 74.80 ? 92 ASN C ND2 1 ATOM 3040 N N . PHE B 1 50 ? -29.795 -17.102 12.541 1.00 54.82 ? 93 PHE C N 1 ATOM 3041 C CA . PHE B 1 50 ? -28.491 -17.478 12.010 1.00 47.49 ? 93 PHE C CA 1 ATOM 3042 C C . PHE B 1 50 ? -28.592 -18.684 11.083 1.00 49.43 ? 93 PHE C C 1 ATOM 3043 O O . PHE B 1 50 ? -29.563 -19.440 11.133 1.00 53.43 ? 93 PHE C O 1 ATOM 3044 C CB . PHE B 1 50 ? -27.521 -17.798 13.151 1.00 50.24 ? 93 PHE C CB 1 ATOM 3045 C CG . PHE B 1 50 ? -27.045 -16.590 13.908 1.00 55.19 ? 93 PHE C CG 1 ATOM 3046 C CD1 . PHE B 1 50 ? -27.875 -15.947 14.812 1.00 53.75 ? 93 PHE C CD1 1 ATOM 3047 C CD2 . PHE B 1 50 ? -25.758 -16.110 13.730 1.00 51.67 ? 93 PHE C CD2 1 ATOM 3048 C CE1 . PHE B 1 50 ? -27.435 -14.839 15.513 1.00 45.07 ? 93 PHE C CE1 1 ATOM 3049 C CE2 . PHE B 1 50 ? -25.311 -15.004 14.429 1.00 48.96 ? 93 PHE C CE2 1 ATOM 3050 C CZ . PHE B 1 50 ? -26.151 -14.368 15.321 1.00 44.42 ? 93 PHE C CZ 1 ATOM 3051 N N . ASN B 1 51 ? -27.580 -18.857 10.240 1.00 48.59 ? 94 ASN C N 1 ATOM 3052 C CA . ASN B 1 51 ? -27.478 -20.034 9.384 1.00 52.91 ? 94 ASN C CA 1 ATOM 3053 C C . ASN B 1 51 ? -26.025 -20.310 9.008 1.00 46.83 ? 94 ASN C C 1 ATOM 3054 O O . ASN B 1 51 ? -25.492 -19.718 8.069 1.00 41.10 ? 94 ASN C O 1 ATOM 3055 C CB . ASN B 1 51 ? -28.338 -19.875 8.129 1.00 55.73 ? 94 ASN C CB 1 ATOM 3056 C CG . ASN B 1 51 ? -28.437 -21.158 7.324 1.00 53.25 ? 94 ASN C CG 1 ATOM 3057 O OD1 . ASN B 1 51 ? -27.996 -22.219 7.766 1.00 45.07 ? 94 ASN C OD1 1 ATOM 3058 N ND2 . ASN B 1 51 ? -29.028 -21.069 6.139 1.00 52.43 ? 94 ASN C ND2 1 ATOM 3059 N N . MET B 1 52 ? -25.397 -21.218 9.748 1.00 38.59 ? 95 MET C N 1 ATOM 3060 C CA . MET B 1 52 ? -23.979 -21.524 9.578 1.00 39.30 ? 95 MET C CA 1 ATOM 3061 C C . MET B 1 52 ? -23.671 -22.185 8.239 1.00 42.38 ? 95 MET C C 1 ATOM 3062 O O . MET B 1 52 ? -22.518 -22.221 7.808 1.00 41.07 ? 95 MET C O 1 ATOM 3063 C CB . MET B 1 52 ? -23.491 -22.425 10.715 1.00 33.47 ? 95 MET C CB 1 ATOM 3064 C CG . MET B 1 52 ? -24.213 -23.762 10.798 1.00 36.37 ? 95 MET C CG 1 ATOM 3065 S SD . MET B 1 52 ? -23.473 -24.899 11.988 1.00 39.40 ? 95 MET C SD 1 ATOM 3066 C CE . MET B 1 52 ? -21.894 -25.228 11.210 1.00 33.85 ? 95 MET C CE 1 ATOM 3067 N N . TRP B 1 53 ? -24.701 -22.710 7.584 1.00 40.75 ? 96 TRP C N 1 ATOM 3068 C CA . TRP B 1 53 ? -24.516 -23.443 6.337 1.00 40.11 ? 96 TRP C CA 1 ATOM 3069 C C . TRP B 1 53 ? -24.609 -22.537 5.112 1.00 37.31 ? 96 TRP C C 1 ATOM 3070 O O . TRP B 1 53 ? -24.238 -22.930 4.007 1.00 40.22 ? 96 TRP C O 1 ATOM 3071 C CB . TRP B 1 53 ? -25.508 -24.603 6.257 1.00 40.66 ? 96 TRP C CB 1 ATOM 3072 C CG . TRP B 1 53 ? -25.400 -25.502 7.448 1.00 47.87 ? 96 TRP C CG 1 ATOM 3073 C CD1 . TRP B 1 53 ? -26.236 -25.543 8.525 1.00 50.25 ? 96 TRP C CD1 1 ATOM 3074 C CD2 . TRP B 1 53 ? -24.370 -26.464 7.702 1.00 47.80 ? 96 TRP C CD2 1 ATOM 3075 N NE1 . TRP B 1 53 ? -25.800 -26.484 9.426 1.00 44.85 ? 96 TRP C NE1 1 ATOM 3076 C CE2 . TRP B 1 53 ? -24.655 -27.063 8.945 1.00 44.27 ? 96 TRP C CE2 1 ATOM 3077 C CE3 . TRP B 1 53 ? -23.238 -26.883 6.996 1.00 44.39 ? 96 TRP C CE3 1 ATOM 3078 C CZ2 . TRP B 1 53 ? -23.850 -28.058 9.496 1.00 44.74 ? 96 TRP C CZ2 1 ATOM 3079 C CZ3 . TRP B 1 53 ? -22.441 -27.871 7.544 1.00 40.90 ? 96 TRP C CZ3 1 ATOM 3080 C CH2 . TRP B 1 53 ? -22.751 -28.448 8.781 1.00 40.81 ? 96 TRP C CH2 1 ATOM 3081 N N . LYS B 1 54 ? -25.104 -21.321 5.320 1.00 42.61 ? 97 LYS C N 1 ATOM 3082 C CA . LYS B 1 54 ? -25.065 -20.291 4.288 1.00 44.05 ? 97 LYS C CA 1 ATOM 3083 C C . LYS B 1 54 ? -24.458 -19.019 4.865 1.00 43.06 ? 97 LYS C C 1 ATOM 3084 O O . LYS B 1 54 ? -25.163 -18.057 5.168 1.00 40.62 ? 97 LYS C O 1 ATOM 3085 C CB . LYS B 1 54 ? -26.459 -20.018 3.720 1.00 50.01 ? 97 LYS C CB 1 ATOM 3086 C CG . LYS B 1 54 ? -27.031 -21.170 2.909 1.00 66.31 ? 97 LYS C CG 1 ATOM 3087 C CD . LYS B 1 54 ? -28.182 -20.710 2.027 1.00 78.73 ? 97 LYS C CD 1 ATOM 3088 C CE . LYS B 1 54 ? -27.702 -19.747 0.951 1.00 88.25 ? 97 LYS C CE 1 ATOM 3089 N NZ . LYS B 1 54 ? -26.713 -20.380 0.034 1.00 90.24 ? 97 LYS C NZ 1 ATOM 3090 N N . ASN B 1 55 ? -23.139 -19.033 5.021 1.00 45.22 ? 98 ASN C N 1 ATOM 3091 C CA . ASN B 1 55 ? -22.414 -17.930 5.634 1.00 40.96 ? 98 ASN C CA 1 ATOM 3092 C C . ASN B 1 55 ? -21.221 -17.545 4.770 1.00 37.85 ? 98 ASN C C 1 ATOM 3093 O O . ASN B 1 55 ? -20.282 -18.326 4.618 1.00 35.89 ? 98 ASN C O 1 ATOM 3094 C CB . ASN B 1 55 ? -21.941 -18.337 7.033 1.00 33.68 ? 98 ASN C CB 1 ATOM 3095 C CG . ASN B 1 55 ? -21.458 -17.159 7.860 1.00 38.61 ? 98 ASN C CG 1 ATOM 3096 O OD1 . ASN B 1 55 ? -21.228 -16.068 7.341 1.00 40.63 ? 98 ASN C OD1 1 ATOM 3097 N ND2 . ASN B 1 55 ? -21.294 -17.381 9.159 1.00 40.84 ? 98 ASN C ND2 1 ATOM 3098 N N . ASN B 1 56 ? -21.257 -16.340 4.209 1.00 33.99 ? 99 ASN C N 1 ATOM 3099 C CA . ASN B 1 56 ? -20.202 -15.884 3.307 1.00 31.18 ? 99 ASN C CA 1 ATOM 3100 C C . ASN B 1 56 ? -18.837 -15.762 3.986 1.00 27.87 ? 99 ASN C C 1 ATOM 3101 O O . ASN B 1 56 ? -17.803 -15.743 3.317 1.00 31.03 ? 99 ASN C O 1 ATOM 3102 C CB . ASN B 1 56 ? -20.592 -14.561 2.641 1.00 30.15 ? 99 ASN C CB 1 ATOM 3103 C CG . ASN B 1 56 ? -19.605 -14.135 1.569 1.00 32.27 ? 99 ASN C CG 1 ATOM 3104 O OD1 . ASN B 1 56 ? -18.841 -13.188 1.754 1.00 44.30 ? 99 ASN C OD1 1 ATOM 3105 N ND2 . ASN B 1 56 ? -19.612 -14.841 0.445 1.00 42.67 ? 99 ASN C ND2 1 ATOM 3106 N N . MET B 1 57 ? -18.837 -15.684 5.314 1.00 27.81 ? 100 MET C N 1 ATOM 3107 C CA . MET B 1 57 ? -17.592 -15.656 6.074 1.00 32.22 ? 100 MET C CA 1 ATOM 3108 C C . MET B 1 57 ? -16.791 -16.931 5.830 1.00 29.45 ? 100 MET C C 1 ATOM 3109 O O . MET B 1 57 ? -15.561 -16.906 5.792 1.00 29.07 ? 100 MET C O 1 ATOM 3110 C CB . MET B 1 57 ? -17.871 -15.498 7.570 1.00 27.57 ? 100 MET C CB 1 ATOM 3111 C CG . MET B 1 57 ? -18.658 -14.251 7.934 1.00 33.00 ? 100 MET C CG 1 ATOM 3112 S SD . MET B 1 57 ? -18.903 -14.102 9.714 1.00 37.13 ? 100 MET C SD 1 ATOM 3113 C CE . MET B 1 57 ? -17.227 -13.780 10.256 1.00 37.01 ? 100 MET C CE 1 ATOM 3114 N N . VAL B 1 58 ? -17.501 -18.043 5.663 1.00 28.67 ? 101 VAL C N 1 ATOM 3115 C CA . VAL B 1 58 ? -16.869 -19.334 5.419 1.00 29.02 ? 101 VAL C CA 1 ATOM 3116 C C . VAL B 1 58 ? -16.130 -19.338 4.086 1.00 26.13 ? 101 VAL C C 1 ATOM 3117 O O . VAL B 1 58 ? -14.981 -19.776 4.005 1.00 27.28 ? 101 VAL C O 1 ATOM 3118 C CB . VAL B 1 58 ? -17.900 -20.478 5.433 1.00 30.90 ? 101 VAL C CB 1 ATOM 3119 C CG1 . VAL B 1 58 ? -17.240 -21.798 5.060 1.00 41.95 ? 101 VAL C CG1 1 ATOM 3120 C CG2 . VAL B 1 58 ? -18.565 -20.573 6.798 1.00 34.04 ? 101 VAL C CG2 1 ATOM 3121 N N . GLU B 1 59 ? -16.795 -18.846 3.045 1.00 29.53 ? 102 GLU C N 1 ATOM 3122 C CA . GLU B 1 59 ? -16.190 -18.758 1.720 1.00 31.58 ? 102 GLU C CA 1 ATOM 3123 C C . GLU B 1 59 ? -14.962 -17.852 1.726 1.00 28.11 ? 102 GLU C C 1 ATOM 3124 O O . GLU B 1 59 ? -13.975 -18.129 1.046 1.00 31.06 ? 102 GLU C O 1 ATOM 3125 C CB . GLU B 1 59 ? -17.206 -18.260 0.688 1.00 30.69 ? 102 GLU C CB 1 ATOM 3126 C CG . GLU B 1 59 ? -18.109 -19.346 0.116 1.00 38.92 ? 102 GLU C CG 1 ATOM 3127 C CD . GLU B 1 59 ? -19.091 -19.895 1.132 1.00 47.99 ? 102 GLU C CD 1 ATOM 3128 O OE1 . GLU B 1 59 ? -19.391 -21.107 1.078 1.00 59.10 ? 102 GLU C OE1 1 ATOM 3129 O OE2 . GLU B 1 59 ? -19.569 -19.114 1.981 1.00 45.85 ? 102 GLU C OE2 1 ATOM 3130 N N . GLN B 1 60 ? -15.023 -16.774 2.501 1.00 27.64 ? 103 GLN C N 1 ATOM 3131 C CA . GLN B 1 60 ? -13.913 -15.830 2.567 1.00 28.10 ? 103 GLN C CA 1 ATOM 3132 C C . GLN B 1 60 ? -12.697 -16.414 3.286 1.00 22.92 ? 103 GLN C C 1 ATOM 3133 O O . GLN B 1 60 ? -11.558 -16.173 2.885 1.00 26.74 ? 103 GLN C O 1 ATOM 3134 C CB . GLN B 1 60 ? -14.350 -14.512 3.213 1.00 28.45 ? 103 GLN C CB 1 ATOM 3135 C CG . GLN B 1 60 ? -15.352 -13.723 2.380 1.00 29.24 ? 103 GLN C CG 1 ATOM 3136 C CD . GLN B 1 60 ? -15.481 -12.281 2.829 1.00 34.65 ? 103 GLN C CD 1 ATOM 3137 O OE1 . GLN B 1 60 ? -14.482 -11.600 3.064 1.00 35.97 ? 103 GLN C OE1 1 ATOM 3138 N NE2 . GLN B 1 60 ? -16.715 -11.808 2.954 1.00 35.82 ? 103 GLN C NE2 1 ATOM 3139 N N . MET B 1 61 ? -12.934 -17.184 4.343 1.00 24.46 ? 104 MET C N 1 ATOM 3140 C CA . MET B 1 61 ? -11.831 -17.841 5.033 1.00 25.53 ? 104 MET C CA 1 ATOM 3141 C C . MET B 1 61 ? -11.195 -18.889 4.127 1.00 21.88 ? 104 MET C C 1 ATOM 3142 O O . MET B 1 61 ? -9.971 -19.024 4.085 1.00 22.89 ? 104 MET C O 1 ATOM 3143 C CB . MET B 1 61 ? -12.287 -18.480 6.345 1.00 28.57 ? 104 MET C CB 1 ATOM 3144 C CG . MET B 1 61 ? -11.143 -19.123 7.117 1.00 24.14 ? 104 MET C CG 1 ATOM 3145 S SD . MET B 1 61 ? -11.579 -19.682 8.773 1.00 28.10 ? 104 MET C SD 1 ATOM 3146 C CE . MET B 1 61 ? -9.982 -20.247 9.357 1.00 37.94 ? 104 MET C CE 1 ATOM 3147 N N . GLN B 1 62 ? -12.036 -19.623 3.404 1.00 23.24 ? 105 GLN C N 1 ATOM 3148 C CA . GLN B 1 62 ? -11.570 -20.627 2.454 1.00 26.02 ? 105 GLN C CA 1 ATOM 3149 C C . GLN B 1 62 ? -10.629 -20.011 1.423 1.00 28.43 ? 105 GLN C C 1 ATOM 3150 O O . GLN B 1 62 ? -9.573 -20.568 1.122 1.00 25.37 ? 105 GLN C O 1 ATOM 3151 C CB . GLN B 1 62 ? -12.761 -21.286 1.750 1.00 28.66 ? 105 GLN C CB 1 ATOM 3152 C CG . GLN B 1 62 ? -12.389 -22.247 0.628 1.00 31.29 ? 105 GLN C CG 1 ATOM 3153 C CD . GLN B 1 62 ? -12.086 -23.651 1.121 1.00 31.61 ? 105 GLN C CD 1 ATOM 3154 O OE1 . GLN B 1 62 ? -11.665 -23.848 2.260 1.00 30.25 ? 105 GLN C OE1 1 ATOM 3155 N NE2 . GLN B 1 62 ? -12.308 -24.638 0.260 1.00 31.55 ? 105 GLN C NE2 1 ATOM 3156 N N . GLU B 1 63 ? -11.015 -18.853 0.893 1.00 28.35 ? 106 GLU C N 1 ATOM 3157 C CA . GLU B 1 63 ? -10.202 -18.146 -0.090 1.00 22.29 ? 106 GLU C CA 1 ATOM 3158 C C . GLU B 1 63 ? -8.835 -17.765 0.479 1.00 26.19 ? 106 GLU C C 1 ATOM 3159 O O . GLU B 1 63 ? -7.823 -17.845 -0.218 1.00 24.35 ? 106 GLU C O 1 ATOM 3160 C CB . GLU B 1 63 ? -10.941 -16.906 -0.604 1.00 27.47 ? 106 GLU C CB 1 ATOM 3161 C CG . GLU B 1 63 ? -12.176 -17.230 -1.439 1.00 32.14 ? 106 GLU C CG 1 ATOM 3162 C CD . GLU B 1 63 ? -13.057 -16.020 -1.691 1.00 50.46 ? 106 GLU C CD 1 ATOM 3163 O OE1 . GLU B 1 63 ? -12.636 -14.890 -1.364 1.00 41.96 ? 106 GLU C OE1 1 ATOM 3164 O OE2 . GLU B 1 63 ? -14.178 -16.201 -2.214 1.00 61.04 ? 106 GLU C OE2 1 ATOM 3165 N N . ASP B 1 64 ? -8.813 -17.363 1.747 1.00 22.90 ? 107 ASP C N 1 ATOM 3166 C CA . ASP B 1 64 ? -7.567 -17.009 2.427 1.00 21.56 ? 107 ASP C CA 1 ATOM 3167 C C . ASP B 1 64 ? -6.638 -18.206 2.608 1.00 20.67 ? 107 ASP C C 1 ATOM 3168 O O . ASP B 1 64 ? -5.441 -18.120 2.332 1.00 22.54 ? 107 ASP C O 1 ATOM 3169 C CB . ASP B 1 64 ? -7.851 -16.396 3.801 1.00 22.06 ? 107 ASP C CB 1 ATOM 3170 C CG . ASP B 1 64 ? -8.257 -14.941 3.725 1.00 28.87 ? 107 ASP C CG 1 ATOM 3171 O OD1 . ASP B 1 64 ? -8.175 -14.344 2.629 1.00 27.22 ? 107 ASP C OD1 1 ATOM 3172 O OD2 . ASP B 1 64 ? -8.642 -14.391 4.775 1.00 25.07 ? 107 ASP C OD2 1 ATOM 3173 N N . VAL B 1 65 ? -7.187 -19.316 3.093 1.00 19.87 ? 108 VAL C N 1 ATOM 3174 C CA . VAL B 1 65 ? -6.385 -20.504 3.360 1.00 19.91 ? 108 VAL C CA 1 ATOM 3175 C C . VAL B 1 65 ? -5.827 -21.079 2.060 1.00 18.48 ? 108 VAL C C 1 ATOM 3176 O O . VAL B 1 65 ? -4.681 -21.526 2.009 1.00 21.75 ? 108 VAL C O 1 ATOM 3177 C CB . VAL B 1 65 ? -7.187 -21.575 4.128 1.00 28.07 ? 108 VAL C CB 1 ATOM 3178 C CG1 . VAL B 1 65 ? -6.324 -22.798 4.403 1.00 25.40 ? 108 VAL C CG1 1 ATOM 3179 C CG2 . VAL B 1 65 ? -7.717 -21.000 5.434 1.00 23.28 ? 108 VAL C CG2 1 ATOM 3180 N N . ILE B 1 66 ? -6.639 -21.051 1.007 1.00 20.32 ? 109 ILE C N 1 ATOM 3181 C CA . ILE B 1 66 ? -6.185 -21.470 -0.315 1.00 22.44 ? 109 ILE C CA 1 ATOM 3182 C C . ILE B 1 66 ? -5.025 -20.591 -0.771 1.00 24.25 ? 109 ILE C C 1 ATOM 3183 O O . ILE B 1 66 ? -4.005 -21.088 -1.249 1.00 22.83 ? 109 ILE C O 1 ATOM 3184 C CB . ILE B 1 66 ? -7.324 -21.409 -1.353 1.00 25.93 ? 109 ILE C CB 1 ATOM 3185 C CG1 . ILE B 1 66 ? -8.321 -22.544 -1.111 1.00 29.58 ? 109 ILE C CG1 1 ATOM 3186 C CG2 . ILE B 1 66 ? -6.769 -21.492 -2.768 1.00 26.88 ? 109 ILE C CG2 1 ATOM 3187 C CD1 . ILE B 1 66 ? -9.469 -22.574 -2.101 1.00 27.09 ? 109 ILE C CD1 1 ATOM 3188 N N . SER B 1 67 ? -5.184 -19.282 -0.607 1.00 23.19 ? 110 SER C N 1 ATOM 3189 C CA . SER B 1 67 ? -4.135 -18.337 -0.962 1.00 28.74 ? 110 SER C CA 1 ATOM 3190 C C . SER B 1 67 ? -2.874 -18.589 -0.140 1.00 27.28 ? 110 SER C C 1 ATOM 3191 O O . SER B 1 67 ? -1.767 -18.582 -0.677 1.00 25.42 ? 110 SER C O 1 ATOM 3192 C CB . SER B 1 67 ? -4.616 -16.898 -0.764 1.00 32.25 ? 110 SER C CB 1 ATOM 3193 O OG . SER B 1 67 ? -3.599 -15.973 -1.100 1.00 32.89 ? 110 SER C OG 1 ATOM 3194 N N . LEU B 1 68 ? -3.051 -18.816 1.159 1.00 21.92 ? 111 LEU C N 1 ATOM 3195 C CA . LEU B 1 68 ? -1.932 -19.090 2.055 1.00 24.63 ? 111 LEU C CA 1 ATOM 3196 C C . LEU B 1 68 ? -1.150 -20.320 1.598 1.00 22.56 ? 111 LEU C C 1 ATOM 3197 O O . LEU B 1 68 ? 0.071 -20.271 1.465 1.00 24.13 ? 111 LEU C O 1 ATOM 3198 C CB . LEU B 1 68 ? -2.424 -19.266 3.498 1.00 23.76 ? 111 LEU C CB 1 ATOM 3199 C CG . LEU B 1 68 ? -1.387 -19.366 4.625 1.00 26.36 ? 111 LEU C CG 1 ATOM 3200 C CD1 . LEU B 1 68 ? -1.959 -18.808 5.919 1.00 23.52 ? 111 LEU C CD1 1 ATOM 3201 C CD2 . LEU B 1 68 ? -0.924 -20.801 4.841 1.00 31.72 ? 111 LEU C CD2 1 ATOM 3202 N N . TRP B 1 69 ? -1.859 -21.417 1.351 1.00 20.92 ? 112 TRP C N 1 ATOM 3203 C CA . TRP B 1 69 ? -1.219 -22.663 0.939 1.00 24.87 ? 112 TRP C CA 1 ATOM 3204 C C . TRP B 1 69 ? -0.520 -22.543 -0.415 1.00 25.09 ? 112 TRP C C 1 ATOM 3205 O O . TRP B 1 69 ? 0.585 -23.055 -0.596 1.00 26.63 ? 112 TRP C O 1 ATOM 3206 C CB . TRP B 1 69 ? -2.230 -23.813 0.923 1.00 22.29 ? 112 TRP C CB 1 ATOM 3207 C CG . TRP B 1 69 ? -2.451 -24.430 2.275 1.00 19.33 ? 112 TRP C CG 1 ATOM 3208 C CD1 . TRP B 1 69 ? -2.891 -23.798 3.402 1.00 19.97 ? 112 TRP C CD1 1 ATOM 3209 C CD2 . TRP B 1 69 ? -2.248 -25.802 2.637 1.00 21.69 ? 112 TRP C CD2 1 ATOM 3210 N NE1 . TRP B 1 69 ? -2.968 -24.691 4.446 1.00 18.82 ? 112 TRP C NE1 1 ATOM 3211 C CE2 . TRP B 1 69 ? -2.581 -25.928 4.000 1.00 23.29 ? 112 TRP C CE2 1 ATOM 3212 C CE3 . TRP B 1 69 ? -1.814 -26.935 1.941 1.00 26.70 ? 112 TRP C CE3 1 ATOM 3213 C CZ2 . TRP B 1 69 ? -2.495 -27.142 4.682 1.00 25.15 ? 112 TRP C CZ2 1 ATOM 3214 C CZ3 . TRP B 1 69 ? -1.730 -28.140 2.620 1.00 27.08 ? 112 TRP C CZ3 1 ATOM 3215 C CH2 . TRP B 1 69 ? -2.069 -28.233 3.975 1.00 25.31 ? 112 TRP C CH2 1 ATOM 3216 N N . ASP B 1 70 ? -1.166 -21.865 -1.359 1.00 26.53 ? 113 ASP C N 1 ATOM 3217 C CA . ASP B 1 70 ? -0.598 -21.691 -2.693 1.00 28.43 ? 113 ASP C CA 1 ATOM 3218 C C . ASP B 1 70 ? 0.725 -20.927 -2.663 1.00 29.20 ? 113 ASP C C 1 ATOM 3219 O O . ASP B 1 70 ? 1.628 -21.206 -3.451 1.00 31.15 ? 113 ASP C O 1 ATOM 3220 C CB . ASP B 1 70 ? -1.595 -20.990 -3.621 1.00 31.66 ? 113 ASP C CB 1 ATOM 3221 C CG . ASP B 1 70 ? -2.759 -21.883 -4.007 1.00 50.78 ? 113 ASP C CG 1 ATOM 3222 O OD1 . ASP B 1 70 ? -2.629 -23.119 -3.877 1.00 51.09 ? 113 ASP C OD1 1 ATOM 3223 O OD2 . ASP B 1 70 ? -3.800 -21.352 -4.446 1.00 54.83 ? 113 ASP C OD2 1 ATOM 3224 N N . GLN B 1 71 ? 0.834 -19.971 -1.746 1.00 29.00 ? 114 GLN C N 1 ATOM 3225 C CA . GLN B 1 71 ? 2.035 -19.150 -1.628 1.00 31.12 ? 114 GLN C CA 1 ATOM 3226 C C . GLN B 1 71 ? 3.108 -19.807 -0.765 1.00 33.49 ? 114 GLN C C 1 ATOM 3227 O O . GLN B 1 71 ? 4.267 -19.396 -0.793 1.00 37.07 ? 114 GLN C O 1 ATOM 3228 C CB . GLN B 1 71 ? 1.691 -17.786 -1.022 1.00 34.63 ? 114 GLN C CB 1 ATOM 3229 C CG . GLN B 1 71 ? 0.703 -16.955 -1.819 1.00 44.11 ? 114 GLN C CG 1 ATOM 3230 C CD . GLN B 1 71 ? 0.252 -15.719 -1.062 1.00 44.92 ? 114 GLN C CD 1 ATOM 3231 O OE1 . GLN B 1 71 ? 0.909 -15.282 -0.116 1.00 45.62 ? 114 GLN C OE1 1 ATOM 3232 N NE2 . GLN B 1 71 ? -0.878 -15.155 -1.469 1.00 45.69 ? 114 GLN C NE2 1 ATOM 3233 N N . SER B 1 72 ? 2.722 -20.822 0.002 1.00 27.92 ? 115 SER C N 1 ATOM 3234 C CA . SER B 1 72 ? 3.591 -21.349 1.053 1.00 23.32 ? 115 SER C CA 1 ATOM 3235 C C . SER B 1 72 ? 4.217 -22.707 0.750 1.00 32.07 ? 115 SER C C 1 ATOM 3236 O O . SER B 1 72 ? 5.422 -22.894 0.922 1.00 30.73 ? 115 SER C O 1 ATOM 3237 C CB . SER B 1 72 ? 2.828 -21.426 2.376 1.00 24.72 ? 115 SER C CB 1 ATOM 3238 O OG . SER B 1 72 ? 2.361 -20.146 2.768 1.00 31.11 ? 115 SER C OG 1 ATOM 3239 N N . LEU B 1 73 ? 3.400 -23.659 0.318 1.00 26.52 ? 116 LEU C N 1 ATOM 3240 C CA . LEU B 1 73 ? 3.892 -25.015 0.109 1.00 25.76 ? 116 LEU C CA 1 ATOM 3241 C C . LEU B 1 73 ? 4.618 -25.164 -1.223 1.00 32.23 ? 116 LEU C C 1 ATOM 3242 O O . LEU B 1 73 ? 4.178 -24.642 -2.247 1.00 39.57 ? 116 LEU C O 1 ATOM 3243 C CB . LEU B 1 73 ? 2.766 -26.040 0.254 1.00 36.23 ? 116 LEU C CB 1 ATOM 3244 C CG . LEU B 1 73 ? 2.361 -26.299 1.710 1.00 43.90 ? 116 LEU C CG 1 ATOM 3245 C CD1 . LEU B 1 73 ? 1.335 -25.285 2.205 1.00 35.23 ? 116 LEU C CD1 1 ATOM 3246 C CD2 . LEU B 1 73 ? 1.854 -27.712 1.889 1.00 46.02 ? 116 LEU C CD2 1 ATOM 3247 N N . GLN B 1 74 ? 5.743 -25.873 -1.193 1.00 32.61 ? 117 GLN C N 1 ATOM 3248 C CA . GLN B 1 74 ? 6.598 -26.002 -2.366 1.00 32.30 ? 117 GLN C CA 1 ATOM 3249 C C . GLN B 1 74 ? 6.860 -27.463 -2.717 1.00 35.78 ? 117 GLN C C 1 ATOM 3250 O O . GLN B 1 74 ? 7.877 -28.029 -2.316 1.00 35.03 ? 117 GLN C O 1 ATOM 3251 C CB . GLN B 1 74 ? 7.926 -25.276 -2.137 1.00 34.34 ? 117 GLN C CB 1 ATOM 3252 C CG . GLN B 1 74 ? 7.774 -23.831 -1.683 1.00 33.84 ? 117 GLN C CG 1 ATOM 3253 C CD . GLN B 1 74 ? 9.102 -23.106 -1.594 1.00 50.94 ? 117 GLN C CD 1 ATOM 3254 O OE1 . GLN B 1 74 ? 9.962 -23.253 -2.462 1.00 50.78 ? 117 GLN C OE1 1 ATOM 3255 N NE2 . GLN B 1 74 ? 9.277 -22.319 -0.537 1.00 42.82 ? 117 GLN C NE2 1 ATOM 3256 N N . PRO B 1 75 ? 5.935 -28.079 -3.465 1.00 34.67 ? 118 PRO C N 1 ATOM 3257 C CA . PRO B 1 75 ? 6.109 -29.458 -3.932 1.00 33.95 ? 118 PRO C CA 1 ATOM 3258 C C . PRO B 1 75 ? 7.141 -29.535 -5.053 1.00 32.03 ? 118 PRO C C 1 ATOM 3259 O O . PRO B 1 75 ? 7.354 -28.543 -5.748 1.00 37.14 ? 118 PRO C O 1 ATOM 3260 C CB . PRO B 1 75 ? 4.722 -29.817 -4.467 1.00 36.33 ? 118 PRO C CB 1 ATOM 3261 C CG . PRO B 1 75 ? 4.133 -28.511 -4.877 1.00 35.14 ? 118 PRO C CG 1 ATOM 3262 C CD . PRO B 1 75 ? 4.641 -27.511 -3.882 1.00 33.76 ? 118 PRO C CD 1 ATOM 3263 N N . CYS B 1 76 ? 7.776 -30.692 -5.215 1.00 33.53 ? 119 CYS C N 1 ATOM 3264 C CA . CYS B 1 76 ? 8.739 -30.897 -6.292 1.00 33.35 ? 119 CYS C CA 1 ATOM 3265 C C . CYS B 1 76 ? 8.052 -30.849 -7.648 1.00 47.63 ? 119 CYS C C 1 ATOM 3266 O O . CYS B 1 76 ? 8.601 -30.327 -8.619 1.00 42.71 ? 119 CYS C O 1 ATOM 3267 C CB . CYS B 1 76 ? 9.455 -32.240 -6.131 1.00 43.70 ? 119 CYS C CB 1 ATOM 3268 S SG . CYS B 1 76 ? 10.759 -32.260 -4.886 1.00 123.02 ? 119 CYS C SG 1 ATOM 3269 N N . VAL B 1 77 ? 6.848 -31.405 -7.708 1.00 34.55 ? 120 VAL C N 1 ATOM 3270 C CA . VAL B 1 77 ? 6.075 -31.423 -8.942 1.00 38.48 ? 120 VAL C CA 1 ATOM 3271 C C . VAL B 1 77 ? 4.584 -31.275 -8.644 1.00 43.77 ? 120 VAL C C 1 ATOM 3272 O O . VAL B 1 77 ? 4.068 -31.861 -7.691 1.00 40.46 ? 120 VAL C O 1 ATOM 3273 C CB . VAL B 1 77 ? 6.348 -32.707 -9.768 1.00 51.27 ? 120 VAL C CB 1 ATOM 3274 C CG1 . VAL B 1 77 ? 6.056 -33.948 -8.947 1.00 58.78 ? 120 VAL C CG1 1 ATOM 3275 C CG2 . VAL B 1 77 ? 5.538 -32.711 -11.056 1.00 41.83 ? 120 VAL C CG2 1 ATOM 3276 N N . LYS B 1 78 ? 3.903 -30.462 -9.443 1.00 39.47 ? 121 LYS C N 1 ATOM 3277 C CA . LYS B 1 78 ? 2.461 -30.314 -9.320 1.00 34.24 ? 121 LYS C CA 1 ATOM 3278 C C . LYS B 1 78 ? 1.780 -30.738 -10.614 1.00 39.52 ? 121 LYS C C 1 ATOM 3279 O O . LYS B 1 78 ? 2.111 -30.246 -11.693 1.00 45.63 ? 121 LYS C O 1 ATOM 3280 C CB . LYS B 1 78 ? 2.084 -28.875 -8.960 1.00 49.40 ? 121 LYS C CB 1 ATOM 3281 C CG . LYS B 1 78 ? 0.617 -28.704 -8.592 1.00 58.48 ? 121 LYS C CG 1 ATOM 3282 C CD . LYS B 1 78 ? 0.359 -27.382 -7.885 1.00 65.35 ? 121 LYS C CD 1 ATOM 3283 C CE . LYS B 1 78 ? 0.560 -26.197 -8.814 1.00 76.36 ? 121 LYS C CE 1 ATOM 3284 N NZ . LYS B 1 78 ? 0.209 -24.913 -8.145 1.00 79.25 ? 121 LYS C NZ 1 ATOM 3285 N N . LEU B 1 79 ? 0.836 -31.664 -10.498 1.00 37.20 ? 122 LEU C N 1 ATOM 3286 C CA . LEU B 1 79 ? 0.109 -32.168 -11.654 1.00 39.75 ? 122 LEU C CA 1 ATOM 3287 C C . LEU B 1 79 ? -1.305 -31.607 -11.648 1.00 57.55 ? 122 LEU C C 1 ATOM 3288 O O . LEU B 1 79 ? -2.176 -32.106 -10.935 1.00 41.93 ? 122 LEU C O 1 ATOM 3289 C CB . LEU B 1 79 ? 0.071 -33.695 -11.626 1.00 49.86 ? 122 LEU C CB 1 ATOM 3290 C CG . LEU B 1 79 ? 1.426 -34.375 -11.426 1.00 61.81 ? 122 LEU C CG 1 ATOM 3291 C CD1 . LEU B 1 79 ? 1.255 -35.876 -11.295 1.00 69.42 ? 122 LEU C CD1 1 ATOM 3292 C CD2 . LEU B 1 79 ? 2.373 -34.039 -12.567 1.00 56.24 ? 122 LEU C CD2 1 ATOM 3293 N N . THR B 1 80 ? -1.528 -30.566 -12.443 1.00 51.23 ? 123 THR C N 1 ATOM 3294 C CA . THR B 1 80 ? -2.809 -29.873 -12.442 1.00 49.95 ? 123 THR C CA 1 ATOM 3295 C C . THR B 1 80 ? -3.238 -29.428 -13.838 1.00 54.70 ? 123 THR C C 1 ATOM 3296 O O . THR B 1 80 ? -2.454 -28.843 -14.586 1.00 58.78 ? 123 THR C O 1 ATOM 3297 C CB . THR B 1 80 ? -2.784 -28.655 -11.491 1.00 61.44 ? 123 THR C CB 1 ATOM 3298 O OG1 . THR B 1 80 ? -3.961 -27.863 -11.690 1.00 75.12 ? 123 THR C OG1 1 ATOM 3299 C CG2 . THR B 1 80 ? -1.550 -27.798 -11.743 1.00 60.10 ? 123 THR C CG2 1 ATOM 3300 N N . GLY B 1 81 ? -4.488 -29.722 -14.184 1.00 57.43 ? 124 GLY C N 1 ATOM 3301 C CA . GLY B 1 81 ? -5.057 -29.306 -15.454 1.00 65.14 ? 124 GLY C CA 1 ATOM 3302 C C . GLY B 1 81 ? -4.403 -29.937 -16.669 1.00 73.15 ? 124 GLY C C 1 ATOM 3303 O O . GLY B 1 81 ? -4.543 -29.438 -17.785 1.00 80.86 ? 124 GLY C O 1 ATOM 3304 N N . GLY B 1 82 ? -3.689 -31.037 -16.453 1.00 68.66 ? 198 GLY C N 1 ATOM 3305 C CA . GLY B 1 82 ? -3.012 -31.728 -17.535 1.00 57.15 ? 198 GLY C CA 1 ATOM 3306 C C . GLY B 1 82 ? -1.591 -31.240 -17.744 1.00 55.69 ? 198 GLY C C 1 ATOM 3307 O O . GLY B 1 82 ? -0.911 -31.664 -18.678 1.00 61.94 ? 198 GLY C O 1 ATOM 3308 N N . SER B 1 83 ? -1.142 -30.345 -16.870 1.00 51.35 ? 199 SER C N 1 ATOM 3309 C CA . SER B 1 83 ? 0.211 -29.805 -16.955 1.00 62.86 ? 199 SER C CA 1 ATOM 3310 C C . SER B 1 83 ? 1.108 -30.369 -15.857 1.00 62.06 ? 199 SER C C 1 ATOM 3311 O O . SER B 1 83 ? 0.636 -30.733 -14.779 1.00 54.47 ? 199 SER C O 1 ATOM 3312 C CB . SER B 1 83 ? 0.186 -28.277 -16.882 1.00 74.03 ? 199 SER C CB 1 ATOM 3313 O OG . SER B 1 83 ? -0.485 -27.723 -18.001 1.00 83.54 ? 199 SER C OG 1 ATOM 3314 N N . VAL B 1 84 ? 2.404 -30.438 -16.142 1.00 62.96 ? 200 VAL C N 1 ATOM 3315 C CA . VAL B 1 84 ? 3.380 -30.941 -15.183 1.00 61.78 ? 200 VAL C CA 1 ATOM 3316 C C . VAL B 1 84 ? 4.384 -29.851 -14.824 1.00 61.75 ? 200 VAL C C 1 ATOM 3317 O O . VAL B 1 84 ? 5.242 -29.494 -15.632 1.00 72.46 ? 200 VAL C O 1 ATOM 3318 C CB . VAL B 1 84 ? 4.135 -32.163 -15.738 1.00 63.50 ? 200 VAL C CB 1 ATOM 3319 C CG1 . VAL B 1 84 ? 5.160 -32.658 -14.730 1.00 66.34 ? 200 VAL C CG1 1 ATOM 3320 C CG2 . VAL B 1 84 ? 3.158 -33.270 -16.103 1.00 65.40 ? 200 VAL C CG2 1 ATOM 3321 N N . ILE B 1 85 ? 4.272 -29.324 -13.610 1.00 47.33 ? 201 ILE C N 1 ATOM 3322 C CA . ILE B 1 85 ? 5.129 -28.230 -13.171 1.00 51.40 ? 201 ILE C CA 1 ATOM 3323 C C . ILE B 1 85 ? 6.193 -28.711 -12.192 1.00 52.90 ? 201 ILE C C 1 ATOM 3324 O O . ILE B 1 85 ? 5.887 -29.050 -11.051 1.00 49.34 ? 201 ILE C O 1 ATOM 3325 C CB . ILE B 1 85 ? 4.310 -27.111 -12.501 1.00 61.97 ? 201 ILE C CB 1 ATOM 3326 C CG1 . ILE B 1 85 ? 3.099 -26.744 -13.362 1.00 69.23 ? 201 ILE C CG1 1 ATOM 3327 C CG2 . ILE B 1 85 ? 5.184 -25.894 -12.236 1.00 62.73 ? 201 ILE C CG2 1 ATOM 3328 C CD1 . ILE B 1 85 ? 3.459 -26.246 -14.745 1.00 74.16 ? 201 ILE C CD1 1 ATOM 3329 N N . LYS B 1 86 ? 7.444 -28.737 -12.641 1.00 53.40 ? 202 LYS C N 1 ATOM 3330 C CA . LYS B 1 86 ? 8.552 -29.152 -11.789 1.00 49.01 ? 202 LYS C CA 1 ATOM 3331 C C . LYS B 1 86 ? 9.282 -27.940 -11.223 1.00 52.06 ? 202 LYS C C 1 ATOM 3332 O O . LYS B 1 86 ? 9.574 -26.986 -11.944 1.00 55.30 ? 202 LYS C O 1 ATOM 3333 C CB . LYS B 1 86 ? 9.526 -30.039 -12.567 1.00 51.65 ? 202 LYS C CB 1 ATOM 3334 C CG . LYS B 1 86 ? 8.895 -31.296 -13.143 1.00 56.77 ? 202 LYS C CG 1 ATOM 3335 C CD . LYS B 1 86 ? 9.918 -32.131 -13.897 1.00 63.64 ? 202 LYS C CD 1 ATOM 3336 C CE . LYS B 1 86 ? 9.276 -33.355 -14.532 1.00 77.12 ? 202 LYS C CE 1 ATOM 3337 N NZ . LYS B 1 86 ? 8.654 -34.248 -13.517 1.00 83.45 ? 202 LYS C NZ 1 ATOM 3338 N N . GLN B 1 87 ? 9.573 -27.982 -9.927 1.00 49.22 ? 203 GLN C N 1 ATOM 3339 C CA . GLN B 1 87 ? 10.229 -26.867 -9.256 1.00 50.98 ? 203 GLN C CA 1 ATOM 3340 C C . GLN B 1 87 ? 10.999 -27.346 -8.031 1.00 51.17 ? 203 GLN C C 1 ATOM 3341 O O . GLN B 1 87 ? 10.921 -28.517 -7.657 1.00 47.49 ? 203 GLN C O 1 ATOM 3342 C CB . GLN B 1 87 ? 9.195 -25.819 -8.844 1.00 49.46 ? 203 GLN C CB 1 ATOM 3343 C CG . GLN B 1 87 ? 8.126 -26.355 -7.908 1.00 59.34 ? 203 GLN C CG 1 ATOM 3344 C CD . GLN B 1 87 ? 7.084 -25.316 -7.545 1.00 63.20 ? 203 GLN C CD 1 ATOM 3345 O OE1 . GLN B 1 87 ? 6.736 -24.459 -8.356 1.00 67.34 ? 203 GLN C OE1 1 ATOM 3346 N NE2 . GLN B 1 87 ? 6.582 -25.387 -6.316 1.00 59.04 ? 203 GLN C NE2 1 ATOM 3347 N N . ALA B 1 88 ? 11.742 -26.435 -7.412 1.00 52.24 ? 204 ALA C N 1 ATOM 3348 C CA . ALA B 1 88 ? 12.491 -26.751 -6.203 1.00 50.63 ? 204 ALA C CA 1 ATOM 3349 C C . ALA B 1 88 ? 11.536 -27.047 -5.053 1.00 44.76 ? 204 ALA C C 1 ATOM 3350 O O . ALA B 1 88 ? 10.458 -26.460 -4.965 1.00 38.27 ? 204 ALA C O 1 ATOM 3351 C CB . ALA B 1 88 ? 13.422 -25.606 -5.840 1.00 55.04 ? 204 ALA C CB 1 ATOM 3352 N N . CYS B 1 89 ? 11.933 -27.961 -4.174 1.00 42.52 ? 205 CYS C N 1 ATOM 3353 C CA . CYS B 1 89 ? 11.090 -28.345 -3.048 1.00 40.97 ? 205 CYS C CA 1 ATOM 3354 C C . CYS B 1 89 ? 11.824 -28.283 -1.710 1.00 40.12 ? 205 CYS C C 1 ATOM 3355 O O . CYS B 1 89 ? 12.038 -29.312 -1.068 1.00 39.17 ? 205 CYS C O 1 ATOM 3356 C CB . CYS B 1 89 ? 10.525 -29.750 -3.268 1.00 40.40 ? 205 CYS C CB 1 ATOM 3357 S SG . CYS B 1 89 ? 11.774 -30.996 -3.666 1.00 54.71 ? 205 CYS C SG 1 ATOM 3358 N N . PRO B 1 90 ? 12.207 -27.072 -1.277 1.00 41.06 ? 206 PRO C N 1 ATOM 3359 C CA . PRO B 1 90 ? 12.879 -26.965 0.019 1.00 39.78 ? 206 PRO C CA 1 ATOM 3360 C C . PRO B 1 90 ? 11.885 -27.171 1.154 1.00 37.96 ? 206 PRO C C 1 ATOM 3361 O O . PRO B 1 90 ? 10.703 -26.864 0.997 1.00 34.82 ? 206 PRO C O 1 ATOM 3362 C CB . PRO B 1 90 ? 13.392 -25.525 0.022 1.00 40.85 ? 206 PRO C CB 1 ATOM 3363 C CG . PRO B 1 90 ? 12.414 -24.789 -0.822 1.00 45.40 ? 206 PRO C CG 1 ATOM 3364 C CD . PRO B 1 90 ? 11.996 -25.753 -1.900 1.00 39.59 ? 206 PRO C CD 1 ATOM 3365 N N . LYS B 1 91 ? 12.359 -27.694 2.278 1.00 30.46 ? 207 LYS C N 1 ATOM 3366 C CA . LYS B 1 91 ? 11.502 -27.892 3.439 1.00 33.86 ? 207 LYS C CA 1 ATOM 3367 C C . LYS B 1 91 ? 11.110 -26.548 4.040 1.00 39.59 ? 207 LYS C C 1 ATOM 3368 O O . LYS B 1 91 ? 11.900 -25.605 4.035 1.00 41.91 ? 207 LYS C O 1 ATOM 3369 C CB . LYS B 1 91 ? 12.204 -28.766 4.477 1.00 26.74 ? 207 LYS C CB 1 ATOM 3370 C CG . LYS B 1 91 ? 12.406 -30.201 4.024 1.00 35.23 ? 207 LYS C CG 1 ATOM 3371 C CD . LYS B 1 91 ? 11.070 -30.874 3.750 1.00 36.60 ? 207 LYS C CD 1 ATOM 3372 C CE . LYS B 1 91 ? 11.252 -32.326 3.346 1.00 41.07 ? 207 LYS C CE 1 ATOM 3373 N NZ . LYS B 1 91 ? 9.945 -33.009 3.134 1.00 39.13 ? 207 LYS C NZ 1 ATOM 3374 N N . ILE B 1 92 ? 9.886 -26.463 4.549 1.00 30.23 ? 208 ILE C N 1 ATOM 3375 C CA . ILE B 1 92 ? 9.375 -25.208 5.087 1.00 28.15 ? 208 ILE C CA 1 ATOM 3376 C C . ILE B 1 92 ? 9.046 -25.317 6.572 1.00 30.56 ? 208 ILE C C 1 ATOM 3377 O O . ILE B 1 92 ? 8.960 -26.415 7.123 1.00 30.45 ? 208 ILE C O 1 ATOM 3378 C CB . ILE B 1 92 ? 8.106 -24.751 4.341 1.00 26.09 ? 208 ILE C CB 1 ATOM 3379 C CG1 . ILE B 1 92 ? 6.949 -25.713 4.621 1.00 30.22 ? 208 ILE C CG1 1 ATOM 3380 C CG2 . ILE B 1 92 ? 8.373 -24.645 2.846 1.00 37.71 ? 208 ILE C CG2 1 ATOM 3381 C CD1 . ILE B 1 92 ? 5.619 -25.245 4.075 1.00 26.51 ? 208 ILE C CD1 1 ATOM 3382 N N . SER B 1 93 ? 8.872 -24.165 7.212 1.00 30.50 ? 209 SER C N 1 ATOM 3383 C CA . SER B 1 93 ? 8.403 -24.110 8.590 1.00 26.42 ? 209 SER C CA 1 ATOM 3384 C C . SER B 1 93 ? 6.896 -23.891 8.576 1.00 26.78 ? 209 SER C C 1 ATOM 3385 O O . SER B 1 93 ? 6.408 -22.936 7.971 1.00 24.72 ? 209 SER C O 1 ATOM 3386 C CB . SER B 1 93 ? 9.100 -22.981 9.350 1.00 27.33 ? 209 SER C CB 1 ATOM 3387 O OG . SER B 1 93 ? 8.649 -22.913 10.692 1.00 31.68 ? 209 SER C OG 1 ATOM 3388 N N . PHE B 1 94 ? 6.163 -24.775 9.245 1.00 22.10 ? 210 PHE C N 1 ATOM 3389 C CA . PHE B 1 94 ? 4.708 -24.817 9.124 1.00 21.20 ? 210 PHE C CA 1 ATOM 3390 C C . PHE B 1 94 ? 4.042 -25.079 10.473 1.00 20.78 ? 210 PHE C C 1 ATOM 3391 O O . PHE B 1 94 ? 4.193 -26.154 11.051 1.00 25.36 ? 210 PHE C O 1 ATOM 3392 C CB . PHE B 1 94 ? 4.317 -25.910 8.121 1.00 22.78 ? 210 PHE C CB 1 ATOM 3393 C CG . PHE B 1 94 ? 2.844 -25.972 7.808 1.00 25.57 ? 210 PHE C CG 1 ATOM 3394 C CD1 . PHE B 1 94 ? 1.967 -26.654 8.640 1.00 20.15 ? 210 PHE C CD1 1 ATOM 3395 C CD2 . PHE B 1 94 ? 2.342 -25.379 6.661 1.00 26.51 ? 210 PHE C CD2 1 ATOM 3396 C CE1 . PHE B 1 94 ? 0.618 -26.722 8.346 1.00 22.32 ? 210 PHE C CE1 1 ATOM 3397 C CE2 . PHE B 1 94 ? 0.994 -25.445 6.360 1.00 27.92 ? 210 PHE C CE2 1 ATOM 3398 C CZ . PHE B 1 94 ? 0.131 -26.118 7.203 1.00 21.58 ? 210 PHE C CZ 1 ATOM 3399 N N . ASP B 1 95 ? 3.295 -24.092 10.959 1.00 22.95 ? 211 ASP C N 1 ATOM 3400 C CA . ASP B 1 95 ? 2.532 -24.224 12.199 1.00 20.87 ? 211 ASP C CA 1 ATOM 3401 C C . ASP B 1 95 ? 1.474 -23.127 12.252 1.00 24.54 ? 211 ASP C C 1 ATOM 3402 O O . ASP B 1 95 ? 1.804 -21.957 12.439 1.00 25.50 ? 211 ASP C O 1 ATOM 3403 C CB . ASP B 1 95 ? 3.456 -24.134 13.417 1.00 24.31 ? 211 ASP C CB 1 ATOM 3404 C CG . ASP B 1 95 ? 2.723 -24.367 14.730 1.00 34.98 ? 211 ASP C CG 1 ATOM 3405 O OD1 . ASP B 1 95 ? 1.684 -25.060 14.725 1.00 26.62 ? 211 ASP C OD1 1 ATOM 3406 O OD2 . ASP B 1 95 ? 3.191 -23.858 15.771 1.00 38.90 ? 211 ASP C OD2 1 ATOM 3407 N N . PRO B 1 96 ? 0.197 -23.502 12.076 1.00 21.67 ? 212 PRO C N 1 ATOM 3408 C CA . PRO B 1 96 ? -0.916 -22.547 11.997 1.00 21.41 ? 212 PRO C CA 1 ATOM 3409 C C . PRO B 1 96 ? -1.036 -21.646 13.226 1.00 22.12 ? 212 PRO C C 1 ATOM 3410 O O . PRO B 1 96 ? -0.865 -22.106 14.356 1.00 24.80 ? 212 PRO C O 1 ATOM 3411 C CB . PRO B 1 96 ? -2.145 -23.455 11.891 1.00 24.39 ? 212 PRO C CB 1 ATOM 3412 C CG . PRO B 1 96 ? -1.627 -24.723 11.301 1.00 25.72 ? 212 PRO C CG 1 ATOM 3413 C CD . PRO B 1 96 ? -0.255 -24.891 11.884 1.00 30.28 ? 212 PRO C CD 1 ATOM 3414 N N . ILE B 1 97 ? -1.327 -20.370 12.994 1.00 19.63 ? 213 ILE C N 1 ATOM 3415 C CA . ILE B 1 97 ? -1.536 -19.413 14.075 1.00 19.50 ? 213 ILE C CA 1 ATOM 3416 C C . ILE B 1 97 ? -2.972 -18.894 14.020 1.00 22.30 ? 213 ILE C C 1 ATOM 3417 O O . ILE B 1 97 ? -3.618 -18.987 12.979 1.00 19.65 ? 213 ILE C O 1 ATOM 3418 C CB . ILE B 1 97 ? -0.543 -18.233 13.985 1.00 21.84 ? 213 ILE C CB 1 ATOM 3419 C CG1 . ILE B 1 97 ? -0.728 -17.469 12.673 1.00 21.39 ? 213 ILE C CG1 1 ATOM 3420 C CG2 . ILE B 1 97 ? 0.888 -18.730 14.126 1.00 24.89 ? 213 ILE C CG2 1 ATOM 3421 C CD1 . ILE B 1 97 ? 0.128 -16.224 12.572 1.00 23.77 ? 213 ILE C CD1 1 ATOM 3422 N N . PRO B 1 98 ? -3.485 -18.365 15.144 1.00 25.84 ? 214 PRO C N 1 ATOM 3423 C CA . PRO B 1 98 ? -4.865 -17.865 15.149 1.00 21.88 ? 214 PRO C CA 1 ATOM 3424 C C . PRO B 1 98 ? -5.073 -16.678 14.215 1.00 26.76 ? 214 PRO C C 1 ATOM 3425 O O . PRO B 1 98 ? -4.246 -15.767 14.170 1.00 22.20 ? 214 PRO C O 1 ATOM 3426 C CB . PRO B 1 98 ? -5.072 -17.426 16.601 1.00 23.46 ? 214 PRO C CB 1 ATOM 3427 C CG . PRO B 1 98 ? -4.100 -18.241 17.382 1.00 22.20 ? 214 PRO C CG 1 ATOM 3428 C CD . PRO B 1 98 ? -2.899 -18.362 16.496 1.00 19.32 ? 214 PRO C CD 1 ATOM 3429 N N . ILE B 1 99 ? -6.178 -16.700 13.478 1.00 22.81 ? 215 ILE C N 1 ATOM 3430 C CA . ILE B 1 99 ? -6.542 -15.603 12.592 1.00 21.66 ? 215 ILE C CA 1 ATOM 3431 C C . ILE B 1 99 ? -7.913 -15.056 12.980 1.00 23.07 ? 215 ILE C C 1 ATOM 3432 O O . ILE B 1 99 ? -8.861 -15.819 13.162 1.00 27.14 ? 215 ILE C O 1 ATOM 3433 C CB . ILE B 1 99 ? -6.578 -16.054 11.116 1.00 21.37 ? 215 ILE C CB 1 ATOM 3434 C CG1 . ILE B 1 99 ? -5.230 -16.647 10.701 1.00 25.85 ? 215 ILE C CG1 1 ATOM 3435 C CG2 . ILE B 1 99 ? -6.952 -14.893 10.209 1.00 29.95 ? 215 ILE C CG2 1 ATOM 3436 C CD1 . ILE B 1 99 ? -4.073 -15.678 10.815 1.00 28.79 ? 215 ILE C CD1 1 ATOM 3437 N N . HIS B 1 100 ? -8.009 -13.736 13.113 1.00 23.91 ? 216 HIS C N 1 ATOM 3438 C CA . HIS B 1 100 ? -9.274 -13.084 13.433 1.00 23.30 ? 216 HIS C CA 1 ATOM 3439 C C . HIS B 1 100 ? -9.869 -12.464 12.175 1.00 27.80 ? 216 HIS C C 1 ATOM 3440 O O . HIS B 1 100 ? -9.154 -11.852 11.386 1.00 25.52 ? 216 HIS C O 1 ATOM 3441 C CB . HIS B 1 100 ? -9.065 -11.986 14.478 1.00 23.18 ? 216 HIS C CB 1 ATOM 3442 C CG . HIS B 1 100 ? -8.480 -12.472 15.767 1.00 28.90 ? 216 HIS C CG 1 ATOM 3443 N ND1 . HIS B 1 100 ? -9.234 -12.643 16.909 1.00 34.35 ? 216 HIS C ND1 1 ATOM 3444 C CD2 . HIS B 1 100 ? -7.212 -12.807 16.102 1.00 39.74 ? 216 HIS C CD2 1 ATOM 3445 C CE1 . HIS B 1 100 ? -8.458 -13.068 17.888 1.00 41.55 ? 216 HIS C CE1 1 ATOM 3446 N NE2 . HIS B 1 100 ? -7.225 -13.177 17.425 1.00 36.72 ? 216 HIS C NE2 1 ATOM 3447 N N . TYR B 1 101 ? -11.176 -12.614 11.993 1.00 26.53 ? 217 TYR C N 1 ATOM 3448 C CA . TYR B 1 101 ? -11.857 -12.003 10.854 1.00 26.56 ? 217 TYR C CA 1 ATOM 3449 C C . TYR B 1 101 ? -12.721 -10.824 11.290 1.00 33.84 ? 217 TYR C C 1 ATOM 3450 O O . TYR B 1 101 ? -13.538 -10.944 12.202 1.00 30.81 ? 217 TYR C O 1 ATOM 3451 C CB . TYR B 1 101 ? -12.671 -13.043 10.083 1.00 30.09 ? 217 TYR C CB 1 ATOM 3452 C CG . TYR B 1 101 ? -11.801 -13.924 9.220 1.00 34.74 ? 217 TYR C CG 1 ATOM 3453 C CD1 . TYR B 1 101 ? -11.459 -13.539 7.931 1.00 33.09 ? 217 TYR C CD1 1 ATOM 3454 C CD2 . TYR B 1 101 ? -11.297 -15.125 9.701 1.00 30.44 ? 217 TYR C CD2 1 ATOM 3455 C CE1 . TYR B 1 101 ? -10.655 -14.330 7.140 1.00 35.41 ? 217 TYR C CE1 1 ATOM 3456 C CE2 . TYR B 1 101 ? -10.489 -15.926 8.915 1.00 30.90 ? 217 TYR C CE2 1 ATOM 3457 C CZ . TYR B 1 101 ? -10.171 -15.521 7.635 1.00 28.37 ? 217 TYR C CZ 1 ATOM 3458 O OH . TYR B 1 101 ? -9.367 -16.307 6.843 1.00 32.04 ? 217 TYR C OH 1 ATOM 3459 N N . CYS B 1 102 ? -12.529 -9.685 10.631 1.00 28.82 ? 218 CYS C N 1 ATOM 3460 C CA . CYS B 1 102 ? -13.125 -8.433 11.080 1.00 28.59 ? 218 CYS C CA 1 ATOM 3461 C C . CYS B 1 102 ? -13.885 -7.703 9.976 1.00 28.47 ? 218 CYS C C 1 ATOM 3462 O O . CYS B 1 102 ? -13.561 -7.826 8.794 1.00 34.79 ? 218 CYS C O 1 ATOM 3463 C CB . CYS B 1 102 ? -12.040 -7.516 11.644 1.00 30.08 ? 218 CYS C CB 1 ATOM 3464 S SG . CYS B 1 102 ? -10.808 -8.353 12.673 1.00 38.39 ? 218 CYS C SG 1 ATOM 3465 N N . THR B 1 103 ? -14.890 -6.931 10.377 1.00 33.10 ? 219 THR C N 1 ATOM 3466 C CA . THR B 1 103 ? -15.689 -6.145 9.442 1.00 33.50 ? 219 THR C CA 1 ATOM 3467 C C . THR B 1 103 ? -15.135 -4.735 9.272 1.00 41.34 ? 219 THR C C 1 ATOM 3468 O O . THR B 1 103 ? -14.584 -4.164 10.213 1.00 37.75 ? 219 THR C O 1 ATOM 3469 C CB . THR B 1 103 ? -17.154 -6.038 9.908 1.00 37.64 ? 219 THR C CB 1 ATOM 3470 O OG1 . THR B 1 103 ? -17.193 -5.896 11.334 1.00 42.62 ? 219 THR C OG1 1 ATOM 3471 C CG2 . THR B 1 103 ? -17.932 -7.277 9.505 1.00 33.79 ? 219 THR C CG2 1 ATOM 3472 N N . PRO B 1 104 ? -15.280 -4.169 8.063 1.00 34.05 ? 220 PRO C N 1 ATOM 3473 C CA . PRO B 1 104 ? -14.881 -2.783 7.797 1.00 38.98 ? 220 PRO C CA 1 ATOM 3474 C C . PRO B 1 104 ? -15.912 -1.796 8.339 1.00 43.14 ? 220 PRO C C 1 ATOM 3475 O O . PRO B 1 104 ? -16.932 -2.216 8.885 1.00 43.51 ? 220 PRO C O 1 ATOM 3476 C CB . PRO B 1 104 ? -14.853 -2.723 6.270 1.00 42.43 ? 220 PRO C CB 1 ATOM 3477 C CG . PRO B 1 104 ? -15.868 -3.725 5.847 1.00 40.76 ? 220 PRO C CG 1 ATOM 3478 C CD . PRO B 1 104 ? -15.766 -4.844 6.846 1.00 37.07 ? 220 PRO C CD 1 ATOM 3479 N N . ALA B 1 105 ? -15.643 -0.503 8.186 1.00 45.62 ? 221 ALA C N 1 ATOM 3480 C CA . ALA B 1 105 ? -16.551 0.534 8.664 1.00 45.93 ? 221 ALA C CA 1 ATOM 3481 C C . ALA B 1 105 ? -17.920 0.423 7.999 1.00 44.65 ? 221 ALA C C 1 ATOM 3482 O O . ALA B 1 105 ? -18.017 0.185 6.796 1.00 52.02 ? 221 ALA C O 1 ATOM 3483 C CB . ALA B 1 105 ? -15.954 1.913 8.427 1.00 49.50 ? 221 ALA C CB 1 ATOM 3484 N N . GLY B 1 106 ? -18.973 0.595 8.791 1.00 45.80 ? 222 GLY C N 1 ATOM 3485 C CA . GLY B 1 106 ? -20.331 0.499 8.287 1.00 49.36 ? 222 GLY C CA 1 ATOM 3486 C C . GLY B 1 106 ? -20.909 -0.893 8.449 1.00 52.67 ? 222 GLY C C 1 ATOM 3487 O O . GLY B 1 106 ? -22.065 -1.140 8.104 1.00 52.96 ? 222 GLY C O 1 ATOM 3488 N N . TYR B 1 107 ? -20.099 -1.806 8.975 1.00 45.18 ? 223 TYR C N 1 ATOM 3489 C CA . TYR B 1 107 ? -20.524 -3.185 9.189 1.00 40.11 ? 223 TYR C CA 1 ATOM 3490 C C . TYR B 1 107 ? -20.129 -3.667 10.581 1.00 41.43 ? 223 TYR C C 1 ATOM 3491 O O . TYR B 1 107 ? -19.178 -3.159 11.176 1.00 49.42 ? 223 TYR C O 1 ATOM 3492 C CB . TYR B 1 107 ? -19.914 -4.107 8.131 1.00 37.14 ? 223 TYR C CB 1 ATOM 3493 C CG . TYR B 1 107 ? -20.353 -3.807 6.715 1.00 37.03 ? 223 TYR C CG 1 ATOM 3494 C CD1 . TYR B 1 107 ? -19.694 -2.852 5.951 1.00 41.84 ? 223 TYR C CD1 1 ATOM 3495 C CD2 . TYR B 1 107 ? -21.419 -4.485 6.140 1.00 39.50 ? 223 TYR C CD2 1 ATOM 3496 C CE1 . TYR B 1 107 ? -20.090 -2.576 4.655 1.00 47.27 ? 223 TYR C CE1 1 ATOM 3497 C CE2 . TYR B 1 107 ? -21.821 -4.217 4.844 1.00 42.80 ? 223 TYR C CE2 1 ATOM 3498 C CZ . TYR B 1 107 ? -21.153 -3.262 4.107 1.00 46.87 ? 223 TYR C CZ 1 ATOM 3499 O OH . TYR B 1 107 ? -21.550 -2.992 2.818 1.00 48.99 ? 223 TYR C OH 1 ATOM 3500 N N . VAL B 1 108 ? -20.861 -4.653 11.088 1.00 38.85 ? 224 VAL C N 1 ATOM 3501 C CA . VAL B 1 108 ? -20.607 -5.213 12.414 1.00 42.36 ? 224 VAL C CA 1 ATOM 3502 C C . VAL B 1 108 ? -20.940 -6.706 12.436 1.00 44.92 ? 224 VAL C C 1 ATOM 3503 O O . VAL B 1 108 ? -21.899 -7.143 11.802 1.00 46.02 ? 224 VAL C O 1 ATOM 3504 C CB . VAL B 1 108 ? -21.409 -4.450 13.507 1.00 56.54 ? 224 VAL C CB 1 ATOM 3505 C CG1 . VAL B 1 108 ? -21.787 -5.361 14.666 1.00 64.83 ? 224 VAL C CG1 1 ATOM 3506 C CG2 . VAL B 1 108 ? -20.621 -3.246 14.005 1.00 63.21 ? 224 VAL C CG2 1 ATOM 3507 N N . ILE B 1 109 ? -20.132 -7.490 13.146 1.00 41.94 ? 225 ILE C N 1 ATOM 3508 C CA . ILE B 1 109 ? -20.388 -8.918 13.290 1.00 38.21 ? 225 ILE C CA 1 ATOM 3509 C C . ILE B 1 109 ? -21.283 -9.200 14.493 1.00 42.20 ? 225 ILE C C 1 ATOM 3510 O O . ILE B 1 109 ? -20.964 -8.813 15.617 1.00 41.83 ? 225 ILE C O 1 ATOM 3511 C CB . ILE B 1 109 ? -19.080 -9.711 13.465 1.00 37.60 ? 225 ILE C CB 1 ATOM 3512 C CG1 . ILE B 1 109 ? -18.138 -9.457 12.289 1.00 37.01 ? 225 ILE C CG1 1 ATOM 3513 C CG2 . ILE B 1 109 ? -19.373 -11.197 13.602 1.00 40.76 ? 225 ILE C CG2 1 ATOM 3514 C CD1 . ILE B 1 109 ? -16.774 -10.089 12.451 1.00 32.45 ? 225 ILE C CD1 1 ATOM 3515 N N . LEU B 1 110 ? -22.405 -9.871 14.253 1.00 41.84 ? 226 LEU C N 1 ATOM 3516 C CA . LEU B 1 110 ? -23.283 -10.294 15.338 1.00 44.05 ? 226 LEU C CA 1 ATOM 3517 C C . LEU B 1 110 ? -22.903 -11.694 15.807 1.00 46.10 ? 226 LEU C C 1 ATOM 3518 O O . LEU B 1 110 ? -22.693 -12.596 14.995 1.00 42.19 ? 226 LEU C O 1 ATOM 3519 C CB . LEU B 1 110 ? -24.750 -10.256 14.904 1.00 45.69 ? 226 LEU C CB 1 ATOM 3520 C CG . LEU B 1 110 ? -25.316 -8.876 14.563 1.00 46.41 ? 226 LEU C CG 1 ATOM 3521 C CD1 . LEU B 1 110 ? -26.816 -8.954 14.326 1.00 50.50 ? 226 LEU C CD1 1 ATOM 3522 C CD2 . LEU B 1 110 ? -24.993 -7.875 15.662 1.00 45.11 ? 226 LEU C CD2 1 ATOM 3523 N N . LYS B 1 111 ? -22.815 -11.870 17.121 1.00 43.08 ? 227 LYS C N 1 ATOM 3524 C CA . LYS B 1 111 ? -22.370 -13.134 17.696 1.00 41.32 ? 227 LYS C CA 1 ATOM 3525 C C . LYS B 1 111 ? -23.450 -13.779 18.559 1.00 38.59 ? 227 LYS C C 1 ATOM 3526 O O . LYS B 1 111 ? -23.976 -13.156 19.481 1.00 47.42 ? 227 LYS C O 1 ATOM 3527 C CB . LYS B 1 111 ? -21.097 -12.918 18.518 1.00 40.13 ? 227 LYS C CB 1 ATOM 3528 C CG . LYS B 1 111 ? -20.588 -14.160 19.231 1.00 40.44 ? 227 LYS C CG 1 ATOM 3529 C CD . LYS B 1 111 ? -19.326 -13.854 20.023 1.00 45.50 ? 227 LYS C CD 1 ATOM 3530 C CE . LYS B 1 111 ? -18.845 -15.071 20.796 1.00 41.68 ? 227 LYS C CE 1 ATOM 3531 N NZ . LYS B 1 111 ? -17.623 -14.779 21.596 1.00 41.01 ? 227 LYS C NZ 1 ATOM 3532 N N . CYS B 1 112 ? -23.779 -15.030 18.250 1.00 40.87 ? 228 CYS C N 1 ATOM 3533 C CA . CYS B 1 112 ? -24.754 -15.777 19.034 1.00 43.71 ? 228 CYS C CA 1 ATOM 3534 C C . CYS B 1 112 ? -24.094 -16.377 20.269 1.00 48.58 ? 228 CYS C C 1 ATOM 3535 O O . CYS B 1 112 ? -23.076 -17.062 20.168 1.00 43.66 ? 228 CYS C O 1 ATOM 3536 C CB . CYS B 1 112 ? -25.393 -16.884 18.195 1.00 51.31 ? 228 CYS C CB 1 ATOM 3537 S SG . CYS B 1 112 ? -26.588 -17.892 19.104 1.00 66.98 ? 228 CYS C SG 1 ATOM 3538 N N . ASN B 1 113 ? -24.680 -16.123 21.433 1.00 49.93 ? 229 ASN C N 1 ATOM 3539 C CA . ASN B 1 113 ? -24.087 -16.571 22.687 1.00 50.61 ? 229 ASN C CA 1 ATOM 3540 C C . ASN B 1 113 ? -24.929 -17.596 23.442 1.00 55.95 ? 229 ASN C C 1 ATOM 3541 O O . ASN B 1 113 ? -24.655 -17.893 24.604 1.00 61.70 ? 229 ASN C O 1 ATOM 3542 C CB . ASN B 1 113 ? -23.772 -15.373 23.586 1.00 52.70 ? 229 ASN C CB 1 ATOM 3543 C CG . ASN B 1 113 ? -22.837 -14.381 22.923 1.00 60.70 ? 229 ASN C CG 1 ATOM 3544 O OD1 . ASN B 1 113 ? -21.624 -14.587 22.877 1.00 62.09 ? 229 ASN C OD1 1 ATOM 3545 N ND2 . ASN B 1 113 ? -23.399 -13.295 22.405 1.00 61.56 ? 229 ASN C ND2 1 ATOM 3546 N N . ASP B 1 114 ? -25.951 -18.135 22.784 1.00 51.84 ? 230 ASP C N 1 ATOM 3547 C CA . ASP B 1 114 ? -26.750 -19.201 23.377 1.00 55.21 ? 230 ASP C CA 1 ATOM 3548 C C . ASP B 1 114 ? -25.910 -20.466 23.526 1.00 50.86 ? 230 ASP C C 1 ATOM 3549 O O . ASP B 1 114 ? -25.288 -20.924 22.567 1.00 49.33 ? 230 ASP C O 1 ATOM 3550 C CB . ASP B 1 114 ? -27.995 -19.487 22.536 1.00 59.49 ? 230 ASP C CB 1 ATOM 3551 C CG . ASP B 1 114 ? -29.006 -18.359 22.588 1.00 73.22 ? 230 ASP C CG 1 ATOM 3552 O OD1 . ASP B 1 114 ? -28.906 -17.510 23.499 1.00 83.96 ? 230 ASP C OD1 1 ATOM 3553 O OD2 . ASP B 1 114 ? -29.905 -18.325 21.722 1.00 70.15 ? 230 ASP C OD2 1 ATOM 3554 N N . LYS B 1 115 ? -25.896 -21.023 24.732 1.00 54.75 ? 231 LYS C N 1 ATOM 3555 C CA . LYS B 1 115 ? -25.063 -22.182 25.040 1.00 60.05 ? 231 LYS C CA 1 ATOM 3556 C C . LYS B 1 115 ? -25.477 -23.440 24.279 1.00 57.37 ? 231 LYS C C 1 ATOM 3557 O O . LYS B 1 115 ? -24.667 -24.347 24.082 1.00 55.70 ? 231 LYS C O 1 ATOM 3558 C CB . LYS B 1 115 ? -25.072 -22.457 26.546 1.00 65.25 ? 231 LYS C CB 1 ATOM 3559 C CG . LYS B 1 115 ? -24.380 -21.391 27.381 1.00 67.62 ? 231 LYS C CG 1 ATOM 3560 C CD . LYS B 1 115 ? -22.880 -21.380 27.130 1.00 76.81 ? 231 LYS C CD 1 ATOM 3561 C CE . LYS B 1 115 ? -22.201 -20.232 27.862 1.00 79.43 ? 231 LYS C CE 1 ATOM 3562 N NZ . LYS B 1 115 ? -22.512 -20.229 29.317 1.00 82.43 ? 231 LYS C NZ 1 ATOM 3563 N N . ASN B 1 116 ? -26.735 -23.494 23.856 1.00 50.16 ? 232 ASN C N 1 ATOM 3564 C CA . ASN B 1 116 ? -27.259 -24.666 23.161 1.00 57.95 ? 232 ASN C CA 1 ATOM 3565 C C . ASN B 1 116 ? -27.494 -24.436 21.669 1.00 53.05 ? 232 ASN C C 1 ATOM 3566 O O . ASN B 1 116 ? -28.197 -25.209 21.019 1.00 59.74 ? 232 ASN C O 1 ATOM 3567 C CB . ASN B 1 116 ? -28.551 -25.147 23.827 1.00 60.38 ? 232 ASN C CB 1 ATOM 3568 C CG . ASN B 1 116 ? -29.589 -24.044 23.955 1.00 70.82 ? 232 ASN C CG 1 ATOM 3569 O OD1 . ASN B 1 116 ? -29.427 -22.952 23.409 1.00 64.06 ? 232 ASN C OD1 1 ATOM 3570 N ND2 . ASN B 1 116 ? -30.666 -24.328 24.679 1.00 72.10 ? 232 ASN C ND2 1 ATOM 3571 N N . PHE B 1 117 ? -26.902 -23.372 21.136 1.00 47.05 ? 233 PHE C N 1 ATOM 3572 C CA . PHE B 1 117 ? -27.070 -23.007 19.732 1.00 55.68 ? 233 PHE C CA 1 ATOM 3573 C C . PHE B 1 117 ? -26.551 -24.097 18.792 1.00 57.58 ? 233 PHE C C 1 ATOM 3574 O O . PHE B 1 117 ? -25.378 -24.468 18.846 1.00 48.91 ? 233 PHE C O 1 ATOM 3575 C CB . PHE B 1 117 ? -26.366 -21.677 19.452 1.00 53.06 ? 233 PHE C CB 1 ATOM 3576 C CG . PHE B 1 117 ? -26.513 -21.195 18.039 1.00 50.65 ? 233 PHE C CG 1 ATOM 3577 C CD1 . PHE B 1 117 ? -27.762 -20.909 17.517 1.00 52.73 ? 233 PHE C CD1 1 ATOM 3578 C CD2 . PHE B 1 117 ? -25.397 -21.010 17.240 1.00 52.14 ? 233 PHE C CD2 1 ATOM 3579 C CE1 . PHE B 1 117 ? -27.898 -20.459 16.218 1.00 51.47 ? 233 PHE C CE1 1 ATOM 3580 C CE2 . PHE B 1 117 ? -25.526 -20.558 15.941 1.00 52.16 ? 233 PHE C CE2 1 ATOM 3581 C CZ . PHE B 1 117 ? -26.778 -20.283 15.431 1.00 48.03 ? 233 PHE C CZ 1 ATOM 3582 N N . ASN B 1 118 ? -27.431 -24.604 17.932 1.00 57.54 ? 234 ASN C N 1 ATOM 3583 C CA . ASN B 1 118 ? -27.091 -25.724 17.056 1.00 44.77 ? 234 ASN C CA 1 ATOM 3584 C C . ASN B 1 118 ? -26.477 -25.320 15.715 1.00 44.37 ? 234 ASN C C 1 ATOM 3585 O O . ASN B 1 118 ? -25.948 -26.161 14.989 1.00 45.92 ? 234 ASN C O 1 ATOM 3586 C CB . ASN B 1 118 ? -28.306 -26.637 16.839 1.00 63.62 ? 234 ASN C CB 1 ATOM 3587 C CG . ASN B 1 118 ? -29.502 -25.902 16.252 1.00 73.22 ? 234 ASN C CG 1 ATOM 3588 O OD1 . ASN B 1 118 ? -29.355 -24.877 15.586 1.00 66.10 ? 234 ASN C OD1 1 ATOM 3589 N ND2 . ASN B 1 118 ? -30.697 -26.430 16.500 1.00 85.51 ? 234 ASN C ND2 1 ATOM 3590 N N . GLY B 1 119 ? -26.553 -24.035 15.388 1.00 45.38 ? 235 GLY C N 1 ATOM 3591 C CA . GLY B 1 119 ? -25.987 -23.542 14.145 1.00 47.05 ? 235 GLY C CA 1 ATOM 3592 C C . GLY B 1 119 ? -26.977 -22.781 13.284 1.00 48.35 ? 235 GLY C C 1 ATOM 3593 O O . GLY B 1 119 ? -26.600 -21.857 12.563 1.00 48.99 ? 235 GLY C O 1 ATOM 3594 N N . THR B 1 120 ? -28.246 -23.170 13.354 1.00 48.17 ? 236 THR C N 1 ATOM 3595 C CA . THR B 1 120 ? -29.288 -22.507 12.577 1.00 54.94 ? 236 THR C CA 1 ATOM 3596 C C . THR B 1 120 ? -30.447 -22.067 13.465 1.00 54.21 ? 236 THR C C 1 ATOM 3597 O O . THR B 1 120 ? -30.638 -22.596 14.559 1.00 63.49 ? 236 THR C O 1 ATOM 3598 C CB . THR B 1 120 ? -29.839 -23.422 11.465 1.00 58.61 ? 236 THR C CB 1 ATOM 3599 O OG1 . THR B 1 120 ? -30.472 -24.565 12.053 1.00 69.58 ? 236 THR C OG1 1 ATOM 3600 C CG2 . THR B 1 120 ? -28.719 -23.883 10.543 1.00 49.81 ? 236 THR C CG2 1 ATOM 3601 N N . GLY B 1 121 ? -31.217 -21.094 12.989 1.00 50.25 ? 237 GLY C N 1 ATOM 3602 C CA . GLY B 1 121 ? -32.384 -20.631 13.716 1.00 55.88 ? 237 GLY C CA 1 ATOM 3603 C C . GLY B 1 121 ? -32.138 -19.363 14.510 1.00 58.77 ? 237 GLY C C 1 ATOM 3604 O O . GLY B 1 121 ? -31.134 -18.681 14.304 1.00 62.50 ? 237 GLY C O 1 ATOM 3605 N N . PRO B 1 122 ? -33.060 -19.042 15.430 1.00 60.55 ? 238 PRO C N 1 ATOM 3606 C CA . PRO B 1 122 ? -33.010 -17.816 16.231 1.00 63.25 ? 238 PRO C CA 1 ATOM 3607 C C . PRO B 1 122 ? -32.028 -17.908 17.395 1.00 64.85 ? 238 PRO C C 1 ATOM 3608 O O . PRO B 1 122 ? -31.728 -19.003 17.872 1.00 62.03 ? 238 PRO C O 1 ATOM 3609 C CB . PRO B 1 122 ? -34.438 -17.701 16.764 1.00 68.82 ? 238 PRO C CB 1 ATOM 3610 C CG . PRO B 1 122 ? -34.891 -19.112 16.883 1.00 70.45 ? 238 PRO C CG 1 ATOM 3611 C CD . PRO B 1 122 ? -34.258 -19.847 15.730 1.00 59.71 ? 238 PRO C CD 1 ATOM 3612 N N . CYS B 1 123 ? -31.537 -16.756 17.842 1.00 60.39 ? 239 CYS C N 1 ATOM 3613 C CA . CYS B 1 123 ? -30.630 -16.688 18.981 1.00 59.34 ? 239 CYS C CA 1 ATOM 3614 C C . CYS B 1 123 ? -31.089 -15.592 19.938 1.00 61.14 ? 239 CYS C C 1 ATOM 3615 O O . CYS B 1 123 ? -31.305 -14.452 19.528 1.00 62.58 ? 239 CYS C O 1 ATOM 3616 C CB . CYS B 1 123 ? -29.199 -16.421 18.509 1.00 52.94 ? 239 CYS C CB 1 ATOM 3617 S SG . CYS B 1 123 ? -27.942 -16.546 19.802 1.00 71.43 ? 239 CYS C SG 1 ATOM 3618 N N . LYS B 1 124 ? -31.242 -15.941 21.212 1.00 59.32 ? 240 LYS C N 1 ATOM 3619 C CA . LYS B 1 124 ? -31.762 -15.001 22.201 1.00 60.44 ? 240 LYS C CA 1 ATOM 3620 C C . LYS B 1 124 ? -30.677 -14.097 22.781 1.00 64.38 ? 240 LYS C C 1 ATOM 3621 O O . LYS B 1 124 ? -30.903 -12.907 22.999 1.00 73.30 ? 240 LYS C O 1 ATOM 3622 C CB . LYS B 1 124 ? -32.490 -15.746 23.323 1.00 69.71 ? 240 LYS C CB 1 ATOM 3623 C CG . LYS B 1 124 ? -33.648 -16.609 22.843 1.00 78.30 ? 240 LYS C CG 1 ATOM 3624 C CD . LYS B 1 124 ? -34.681 -15.789 22.084 1.00 82.77 ? 240 LYS C CD 1 ATOM 3625 C CE . LYS B 1 124 ? -35.348 -14.759 22.984 1.00 87.52 ? 240 LYS C CE 1 ATOM 3626 N NZ . LYS B 1 124 ? -36.377 -13.968 22.253 1.00 88.70 ? 240 LYS C NZ 1 ATOM 3627 N N . ASN B 1 125 ? -29.501 -14.664 23.034 1.00 56.35 ? 241 ASN C N 1 ATOM 3628 C CA . ASN B 1 125 ? -28.383 -13.887 23.555 1.00 61.71 ? 241 ASN C CA 1 ATOM 3629 C C . ASN B 1 125 ? -27.429 -13.479 22.437 1.00 51.32 ? 241 ASN C C 1 ATOM 3630 O O . ASN B 1 125 ? -26.490 -14.206 22.111 1.00 53.81 ? 241 ASN C O 1 ATOM 3631 C CB . ASN B 1 125 ? -27.636 -14.670 24.639 1.00 71.06 ? 241 ASN C CB 1 ATOM 3632 C CG . ASN B 1 125 ? -26.552 -13.847 25.315 1.00 88.89 ? 241 ASN C CG 1 ATOM 3633 O OD1 . ASN B 1 125 ? -26.088 -12.842 24.776 1.00 87.38 ? 241 ASN C OD1 1 ATOM 3634 N ND2 . ASN B 1 125 ? -26.148 -14.270 26.509 1.00 112.30 ? 241 ASN C ND2 1 ATOM 3635 N N . VAL B 1 126 ? -27.676 -12.309 21.856 1.00 53.95 ? 242 VAL C N 1 ATOM 3636 C CA . VAL B 1 126 ? -26.873 -11.818 20.742 1.00 49.72 ? 242 VAL C CA 1 ATOM 3637 C C . VAL B 1 126 ? -26.015 -10.627 21.158 1.00 55.56 ? 242 VAL C C 1 ATOM 3638 O O . VAL B 1 126 ? -26.493 -9.706 21.821 1.00 62.17 ? 242 VAL C O 1 ATOM 3639 C CB . VAL B 1 126 ? -27.764 -11.407 19.551 1.00 53.48 ? 242 VAL C CB 1 ATOM 3640 C CG1 . VAL B 1 126 ? -26.911 -10.966 18.369 1.00 46.32 ? 242 VAL C CG1 1 ATOM 3641 C CG2 . VAL B 1 126 ? -28.678 -12.553 19.153 1.00 51.98 ? 242 VAL C CG2 1 ATOM 3642 N N . SER B 1 127 ? -24.744 -10.656 20.770 1.00 49.30 ? 243 SER C N 1 ATOM 3643 C CA . SER B 1 127 ? -23.837 -9.543 21.022 1.00 53.12 ? 243 SER C CA 1 ATOM 3644 C C . SER B 1 127 ? -23.213 -9.059 19.717 1.00 54.35 ? 243 SER C C 1 ATOM 3645 O O . SER B 1 127 ? -23.260 -9.754 18.702 1.00 51.25 ? 243 SER C O 1 ATOM 3646 C CB . SER B 1 127 ? -22.743 -9.951 22.010 1.00 55.55 ? 243 SER C CB 1 ATOM 3647 O OG . SER B 1 127 ? -21.981 -11.035 21.508 1.00 55.93 ? 243 SER C OG 1 ATOM 3648 N N . SER B 1 128 ? -22.633 -7.863 19.745 1.00 52.44 ? 244 SER C N 1 ATOM 3649 C CA . SER B 1 128 ? -21.980 -7.307 18.565 1.00 51.30 ? 244 SER C CA 1 ATOM 3650 C C . SER B 1 128 ? -20.473 -7.214 18.774 1.00 50.65 ? 244 SER C C 1 ATOM 3651 O O . SER B 1 128 ? -20.010 -6.687 19.786 1.00 52.26 ? 244 SER C O 1 ATOM 3652 C CB . SER B 1 128 ? -22.547 -5.926 18.234 1.00 59.33 ? 244 SER C CB 1 ATOM 3653 O OG . SER B 1 128 ? -22.187 -4.977 19.222 1.00 69.44 ? 244 SER C OG 1 ATOM 3654 N N . VAL B 1 129 ? -19.712 -7.731 17.815 1.00 47.75 ? 245 VAL C N 1 ATOM 3655 C CA . VAL B 1 129 ? -18.256 -7.687 17.887 1.00 47.24 ? 245 VAL C CA 1 ATOM 3656 C C . VAL B 1 129 ? -17.661 -7.115 16.606 1.00 44.68 ? 245 VAL C C 1 ATOM 3657 O O . VAL B 1 129 ? -18.308 -7.109 15.559 1.00 39.80 ? 245 VAL C O 1 ATOM 3658 C CB . VAL B 1 129 ? -17.656 -9.086 18.135 1.00 46.41 ? 245 VAL C CB 1 ATOM 3659 C CG1 . VAL B 1 129 ? -18.085 -9.619 19.494 1.00 42.85 ? 245 VAL C CG1 1 ATOM 3660 C CG2 . VAL B 1 129 ? -18.061 -10.045 17.025 1.00 39.41 ? 245 VAL C CG2 1 ATOM 3661 N N . GLN B 1 130 ? -16.427 -6.631 16.696 1.00 39.21 ? 246 GLN C N 1 ATOM 3662 C CA . GLN B 1 130 ? -15.725 -6.107 15.531 1.00 44.59 ? 246 GLN C CA 1 ATOM 3663 C C . GLN B 1 130 ? -14.909 -7.199 14.847 1.00 41.45 ? 246 GLN C C 1 ATOM 3664 O O . GLN B 1 130 ? -14.646 -7.130 13.648 1.00 37.50 ? 246 GLN C O 1 ATOM 3665 C CB . GLN B 1 130 ? -14.824 -4.934 15.923 1.00 59.53 ? 246 GLN C CB 1 ATOM 3666 C CG . GLN B 1 130 ? -15.511 -3.577 15.875 1.00 74.80 ? 246 GLN C CG 1 ATOM 3667 C CD . GLN B 1 130 ? -16.743 -3.509 16.757 1.00 88.53 ? 246 GLN C CD 1 ATOM 3668 O OE1 . GLN B 1 130 ? -17.859 -3.330 16.270 1.00 91.01 ? 246 GLN C OE1 1 ATOM 3669 N NE2 . GLN B 1 130 ? -16.545 -3.648 18.063 1.00 95.24 ? 246 GLN C NE2 1 ATOM 3670 N N . CYS B 1 131 ? -14.512 -8.206 15.619 1.00 37.21 ? 247 CYS C N 1 ATOM 3671 C CA . CYS B 1 131 ? -13.736 -9.321 15.090 1.00 35.81 ? 247 CYS C CA 1 ATOM 3672 C C . CYS B 1 131 ? -14.176 -10.636 15.722 1.00 36.43 ? 247 CYS C C 1 ATOM 3673 O O . CYS B 1 131 ? -14.717 -10.653 16.827 1.00 32.10 ? 247 CYS C O 1 ATOM 3674 C CB . CYS B 1 131 ? -12.242 -9.106 15.344 1.00 43.92 ? 247 CYS C CB 1 ATOM 3675 S SG . CYS B 1 131 ? -11.503 -7.705 14.470 1.00 53.85 ? 247 CYS C SG 1 ATOM 3676 N N . THR B 1 132 ? -13.944 -11.738 15.016 1.00 33.69 ? 248 THR C N 1 ATOM 3677 C CA . THR B 1 132 ? -14.194 -13.061 15.572 1.00 32.78 ? 248 THR C CA 1 ATOM 3678 C C . THR B 1 132 ? -13.050 -13.431 16.500 1.00 28.87 ? 248 THR C C 1 ATOM 3679 O O . THR B 1 132 ? -12.049 -12.718 16.575 1.00 30.90 ? 248 THR C O 1 ATOM 3680 C CB . THR B 1 132 ? -14.274 -14.135 14.473 1.00 32.77 ? 248 THR C CB 1 ATOM 3681 O OG1 . THR B 1 132 ? -12.994 -14.271 13.843 1.00 28.03 ? 248 THR C OG1 1 ATOM 3682 C CG2 . THR B 1 132 ? -15.317 -13.765 13.431 1.00 28.57 ? 248 THR C CG2 1 ATOM 3683 N N . HIS B 1 133 ? -13.194 -14.551 17.202 1.00 27.47 ? 249 HIS C N 1 ATOM 3684 C CA . HIS B 1 133 ? -12.105 -15.079 18.011 1.00 32.60 ? 249 HIS C CA 1 ATOM 3685 C C . HIS B 1 133 ? -11.001 -15.594 17.092 1.00 30.92 ? 249 HIS C C 1 ATOM 3686 O O . HIS B 1 133 ? -11.201 -15.724 15.882 1.00 34.25 ? 249 HIS C O 1 ATOM 3687 C CB . HIS B 1 133 ? -12.604 -16.199 18.927 1.00 32.37 ? 249 HIS C CB 1 ATOM 3688 C CG . HIS B 1 133 ? -13.085 -17.412 18.193 1.00 38.40 ? 249 HIS C CG 1 ATOM 3689 N ND1 . HIS B 1 133 ? -14.278 -17.443 17.504 1.00 39.03 ? 249 HIS C ND1 1 ATOM 3690 C CD2 . HIS B 1 133 ? -12.533 -18.640 18.042 1.00 34.79 ? 249 HIS C CD2 1 ATOM 3691 C CE1 . HIS B 1 133 ? -14.441 -18.635 16.960 1.00 36.39 ? 249 HIS C CE1 1 ATOM 3692 N NE2 . HIS B 1 133 ? -13.395 -19.381 17.271 1.00 32.60 ? 249 HIS C NE2 1 ATOM 3693 N N . GLY B 1 134 ? -9.838 -15.880 17.666 1.00 27.13 ? 250 GLY C N 1 ATOM 3694 C CA . GLY B 1 134 ? -8.709 -16.366 16.894 1.00 29.65 ? 250 GLY C CA 1 ATOM 3695 C C . GLY B 1 134 ? -8.916 -17.791 16.423 1.00 22.25 ? 250 GLY C C 1 ATOM 3696 O O . GLY B 1 134 ? -9.015 -18.712 17.234 1.00 22.30 ? 250 GLY C O 1 ATOM 3697 N N . ILE B 1 135 ? -8.980 -17.970 15.108 1.00 25.40 ? 251 ILE C N 1 ATOM 3698 C CA . ILE B 1 135 ? -9.222 -19.282 14.520 1.00 28.07 ? 251 ILE C CA 1 ATOM 3699 C C . ILE B 1 135 ? -7.998 -19.787 13.761 1.00 20.67 ? 251 ILE C C 1 ATOM 3700 O O . ILE B 1 135 ? -7.519 -19.129 12.839 1.00 22.94 ? 251 ILE C O 1 ATOM 3701 C CB . ILE B 1 135 ? -10.418 -19.242 13.548 1.00 26.66 ? 251 ILE C CB 1 ATOM 3702 C CG1 . ILE B 1 135 ? -11.659 -18.687 14.250 1.00 30.76 ? 251 ILE C CG1 1 ATOM 3703 C CG2 . ILE B 1 135 ? -10.690 -20.627 12.979 1.00 26.71 ? 251 ILE C CG2 1 ATOM 3704 C CD1 . ILE B 1 135 ? -12.842 -18.482 13.329 1.00 31.91 ? 251 ILE C CD1 1 ATOM 3705 N N . LYS B 1 136 ? -7.494 -20.954 14.153 1.00 21.39 ? 252 LYS C N 1 ATOM 3706 C CA . LYS B 1 136 ? -6.382 -21.572 13.439 1.00 21.38 ? 252 LYS C CA 1 ATOM 3707 C C . LYS B 1 136 ? -6.887 -22.286 12.191 1.00 18.92 ? 252 LYS C C 1 ATOM 3708 O O . LYS B 1 136 ? -7.792 -23.116 12.272 1.00 24.32 ? 252 LYS C O 1 ATOM 3709 C CB . LYS B 1 136 ? -5.634 -22.556 14.338 1.00 21.23 ? 252 LYS C CB 1 ATOM 3710 C CG . LYS B 1 136 ? -4.827 -21.897 15.445 1.00 21.90 ? 252 LYS C CG 1 ATOM 3711 C CD . LYS B 1 136 ? -3.949 -22.907 16.162 1.00 22.48 ? 252 LYS C CD 1 ATOM 3712 C CE . LYS B 1 136 ? -3.048 -22.222 17.177 1.00 19.18 ? 252 LYS C CE 1 ATOM 3713 N NZ . LYS B 1 136 ? -2.215 -23.196 17.934 1.00 22.11 ? 252 LYS C NZ 1 ATOM 3714 N N . PRO B 1 137 ? -6.303 -21.960 11.028 1.00 21.66 ? 253 PRO C N 1 ATOM 3715 C CA . PRO B 1 137 ? -6.701 -22.557 9.749 1.00 20.74 ? 253 PRO C CA 1 ATOM 3716 C C . PRO B 1 137 ? -6.173 -23.981 9.594 1.00 19.55 ? 253 PRO C C 1 ATOM 3717 O O . PRO B 1 137 ? -5.391 -24.253 8.683 1.00 24.51 ? 253 PRO C O 1 ATOM 3718 C CB . PRO B 1 137 ? -6.038 -21.639 8.723 1.00 25.20 ? 253 PRO C CB 1 ATOM 3719 C CG . PRO B 1 137 ? -4.829 -21.128 9.424 1.00 22.45 ? 253 PRO C CG 1 ATOM 3720 C CD . PRO B 1 137 ? -5.245 -20.948 10.857 1.00 18.94 ? 253 PRO C CD 1 ATOM 3721 N N . VAL B 1 138 ? -6.604 -24.877 10.474 1.00 19.78 ? 254 VAL C N 1 ATOM 3722 C CA . VAL B 1 138 ? -6.135 -26.256 10.440 1.00 19.61 ? 254 VAL C CA 1 ATOM 3723 C C . VAL B 1 138 ? -6.875 -27.061 9.378 1.00 22.35 ? 254 VAL C C 1 ATOM 3724 O O . VAL B 1 138 ? -8.088 -27.252 9.464 1.00 26.73 ? 254 VAL C O 1 ATOM 3725 C CB . VAL B 1 138 ? -6.309 -26.945 11.805 1.00 25.66 ? 254 VAL C CB 1 ATOM 3726 C CG1 . VAL B 1 138 ? -5.689 -28.334 11.776 1.00 25.68 ? 254 VAL C CG1 1 ATOM 3727 C CG2 . VAL B 1 138 ? -5.687 -26.101 12.911 1.00 21.02 ? 254 VAL C CG2 1 ATOM 3728 N N . VAL B 1 139 ? -6.139 -27.531 8.377 1.00 20.04 ? 255 VAL C N 1 ATOM 3729 C CA . VAL B 1 139 ? -6.726 -28.336 7.312 1.00 22.69 ? 255 VAL C CA 1 ATOM 3730 C C . VAL B 1 139 ? -6.624 -29.819 7.650 1.00 23.35 ? 255 VAL C C 1 ATOM 3731 O O . VAL B 1 139 ? -5.530 -30.381 7.693 1.00 29.83 ? 255 VAL C O 1 ATOM 3732 C CB . VAL B 1 139 ? -6.041 -28.073 5.956 1.00 21.62 ? 255 VAL C CB 1 ATOM 3733 C CG1 . VAL B 1 139 ? -6.681 -28.914 4.861 1.00 24.54 ? 255 VAL C CG1 1 ATOM 3734 C CG2 . VAL B 1 139 ? -6.110 -26.590 5.602 1.00 23.80 ? 255 VAL C CG2 1 ATOM 3735 N N . SER B 1 140 ? -7.767 -30.448 7.897 1.00 27.52 ? 256 SER C N 1 ATOM 3736 C CA . SER B 1 140 ? -7.792 -31.866 8.234 1.00 26.93 ? 256 SER C CA 1 ATOM 3737 C C . SER B 1 140 ? -9.097 -32.523 7.802 1.00 22.99 ? 256 SER C C 1 ATOM 3738 O O . SER B 1 140 ? -10.035 -31.848 7.376 1.00 28.87 ? 256 SER C O 1 ATOM 3739 C CB . SER B 1 140 ? -7.581 -32.066 9.736 1.00 27.55 ? 256 SER C CB 1 ATOM 3740 O OG . SER B 1 140 ? -8.720 -31.649 10.468 1.00 33.49 ? 256 SER C OG 1 ATOM 3741 N N . THR B 1 141 ? -9.145 -33.847 7.908 1.00 28.01 ? 257 THR C N 1 ATOM 3742 C CA . THR B 1 141 ? -10.356 -34.600 7.610 1.00 25.10 ? 257 THR C CA 1 ATOM 3743 C C . THR B 1 141 ? -10.739 -35.466 8.807 1.00 25.31 ? 257 THR C C 1 ATOM 3744 O O . THR B 1 141 ? -9.907 -35.731 9.678 1.00 34.73 ? 257 THR C O 1 ATOM 3745 C CB . THR B 1 141 ? -10.178 -35.497 6.370 1.00 31.30 ? 257 THR C CB 1 ATOM 3746 O OG1 . THR B 1 141 ? -9.141 -36.457 6.614 1.00 33.75 ? 257 THR C OG1 1 ATOM 3747 C CG2 . THR B 1 141 ? -9.817 -34.660 5.150 1.00 34.17 ? 257 THR C CG2 1 ATOM 3748 N N . GLN B 1 142 ? -12.001 -35.888 8.845 1.00 30.20 ? 258 GLN C N 1 ATOM 3749 C CA . GLN B 1 142 ? -12.537 -36.740 9.914 1.00 29.97 ? 258 GLN C CA 1 ATOM 3750 C C . GLN B 1 142 ? -12.551 -36.079 11.296 1.00 34.91 ? 258 GLN C C 1 ATOM 3751 O O . GLN B 1 142 ? -13.607 -35.950 11.917 1.00 37.54 ? 258 GLN C O 1 ATOM 3752 C CB . GLN B 1 142 ? -11.812 -38.091 9.973 1.00 34.10 ? 258 GLN C CB 1 ATOM 3753 C CG . GLN B 1 142 ? -11.905 -38.904 8.692 1.00 36.40 ? 258 GLN C CG 1 ATOM 3754 C CD . GLN B 1 142 ? -11.456 -40.341 8.880 1.00 40.61 ? 258 GLN C CD 1 ATOM 3755 O OE1 . GLN B 1 142 ? -11.168 -40.773 9.996 1.00 32.63 ? 258 GLN C OE1 1 ATOM 3756 N NE2 . GLN B 1 142 ? -11.397 -41.091 7.786 1.00 39.84 ? 258 GLN C NE2 1 ATOM 3757 N N . LEU B 1 143 ? -11.381 -35.672 11.776 1.00 34.16 ? 259 LEU C N 1 ATOM 3758 C CA . LEU B 1 143 ? -11.270 -35.050 13.091 1.00 33.82 ? 259 LEU C CA 1 ATOM 3759 C C . LEU B 1 143 ? -10.983 -33.556 12.980 1.00 28.73 ? 259 LEU C C 1 ATOM 3760 O O . LEU B 1 143 ? -10.152 -33.133 12.177 1.00 25.28 ? 259 LEU C O 1 ATOM 3761 C CB . LEU B 1 143 ? -10.167 -35.724 13.909 1.00 30.49 ? 259 LEU C CB 1 ATOM 3762 C CG . LEU B 1 143 ? -10.290 -37.232 14.132 1.00 36.81 ? 259 LEU C CG 1 ATOM 3763 C CD1 . LEU B 1 143 ? -9.089 -37.753 14.905 1.00 32.24 ? 259 LEU C CD1 1 ATOM 3764 C CD2 . LEU B 1 143 ? -11.587 -37.567 14.854 1.00 37.02 ? 259 LEU C CD2 1 ATOM 3765 N N . LEU B 1 144 ? -11.676 -32.761 13.790 1.00 27.28 ? 260 LEU C N 1 ATOM 3766 C CA . LEU B 1 144 ? -11.411 -31.328 13.861 1.00 24.45 ? 260 LEU C CA 1 ATOM 3767 C C . LEU B 1 144 ? -10.399 -31.061 14.972 1.00 30.32 ? 260 LEU C C 1 ATOM 3768 O O . LEU B 1 144 ? -10.623 -31.435 16.123 1.00 28.83 ? 260 LEU C O 1 ATOM 3769 C CB . LEU B 1 144 ? -12.707 -30.556 14.114 1.00 27.79 ? 260 LEU C CB 1 ATOM 3770 C CG . LEU B 1 144 ? -13.759 -30.653 13.005 1.00 29.04 ? 260 LEU C CG 1 ATOM 3771 C CD1 . LEU B 1 144 ? -15.091 -30.084 13.467 1.00 30.58 ? 260 LEU C CD1 1 ATOM 3772 C CD2 . LEU B 1 144 ? -13.276 -29.938 11.752 1.00 34.85 ? 260 LEU C CD2 1 ATOM 3773 N N . LEU B 1 145 ? -9.288 -30.417 14.625 1.00 27.09 ? 261 LEU C N 1 ATOM 3774 C CA . LEU B 1 145 ? -8.169 -30.271 15.555 1.00 25.66 ? 261 LEU C CA 1 ATOM 3775 C C . LEU B 1 145 ? -7.904 -28.826 15.961 1.00 25.07 ? 261 LEU C C 1 ATOM 3776 O O . LEU B 1 145 ? -8.102 -27.903 15.171 1.00 22.20 ? 261 LEU C O 1 ATOM 3777 C CB . LEU B 1 145 ? -6.897 -30.857 14.943 1.00 26.42 ? 261 LEU C CB 1 ATOM 3778 C CG . LEU B 1 145 ? -6.986 -32.277 14.384 1.00 28.25 ? 261 LEU C CG 1 ATOM 3779 C CD1 . LEU B 1 145 ? -5.664 -32.670 13.744 1.00 26.31 ? 261 LEU C CD1 1 ATOM 3780 C CD2 . LEU B 1 145 ? -7.376 -33.259 15.476 1.00 26.02 ? 261 LEU C CD2 1 ATOM 3781 N N . ASN B 1 146 ? -7.436 -28.652 17.196 1.00 24.87 ? 262 ASN C N 1 ATOM 3782 C CA . ASN B 1 146 ? -7.036 -27.349 17.726 1.00 27.63 ? 262 ASN C CA 1 ATOM 3783 C C . ASN B 1 146 ? -8.105 -26.266 17.591 1.00 31.06 ? 262 ASN C C 1 ATOM 3784 O O . ASN B 1 146 ? -7.791 -25.102 17.341 1.00 25.49 ? 262 ASN C O 1 ATOM 3785 C CB . ASN B 1 146 ? -5.722 -26.880 17.087 1.00 22.77 ? 262 ASN C CB 1 ATOM 3786 C CG . ASN B 1 146 ? -4.539 -27.765 17.451 1.00 18.33 ? 262 ASN C CG 1 ATOM 3787 O OD1 . ASN B 1 146 ? -4.596 -28.534 18.413 1.00 22.46 ? 262 ASN C OD1 1 ATOM 3788 N ND2 . ASN B 1 146 ? -3.459 -27.654 16.678 1.00 26.66 ? 262 ASN C ND2 1 ATOM 3789 N N . GLY B 1 147 ? -9.365 -26.654 17.758 1.00 26.22 ? 263 GLY C N 1 ATOM 3790 C CA . GLY B 1 147 ? -10.468 -25.717 17.651 1.00 29.77 ? 263 GLY C CA 1 ATOM 3791 C C . GLY B 1 147 ? -11.034 -25.322 19.001 1.00 31.40 ? 263 GLY C C 1 ATOM 3792 O O . GLY B 1 147 ? -10.403 -25.533 20.038 1.00 30.35 ? 263 GLY C O 1 ATOM 3793 N N . SER B 1 148 ? -12.230 -24.744 18.987 1.00 34.81 ? 264 SER C N 1 ATOM 3794 C CA . SER B 1 148 ? -12.907 -24.351 20.217 1.00 37.07 ? 264 SER C CA 1 ATOM 3795 C C . SER B 1 148 ? -13.876 -25.436 20.674 1.00 36.94 ? 264 SER C C 1 ATOM 3796 O O . SER B 1 148 ? -14.284 -26.289 19.887 1.00 38.90 ? 264 SER C O 1 ATOM 3797 C CB . SER B 1 148 ? -13.655 -23.031 20.021 1.00 53.24 ? 264 SER C CB 1 ATOM 3798 O OG . SER B 1 148 ? -12.760 -21.982 19.692 1.00 65.02 ? 264 SER C OG 1 ATOM 3799 N N . LEU B 1 149 ? -14.239 -25.396 21.951 1.00 32.99 ? 265 LEU C N 1 ATOM 3800 C CA . LEU B 1 149 ? -15.161 -26.371 22.519 1.00 29.08 ? 265 LEU C CA 1 ATOM 3801 C C . LEU B 1 149 ? -16.508 -25.732 22.831 1.00 32.78 ? 265 LEU C C 1 ATOM 3802 O O . LEU B 1 149 ? -16.596 -24.524 23.051 1.00 44.34 ? 265 LEU C O 1 ATOM 3803 C CB . LEU B 1 149 ? -14.573 -26.973 23.798 1.00 37.81 ? 265 LEU C CB 1 ATOM 3804 C CG . LEU B 1 149 ? -13.281 -27.782 23.670 1.00 38.58 ? 265 LEU C CG 1 ATOM 3805 C CD1 . LEU B 1 149 ? -12.697 -28.067 25.044 1.00 39.92 ? 265 LEU C CD1 1 ATOM 3806 C CD2 . LEU B 1 149 ? -13.535 -29.080 22.918 1.00 35.68 ? 265 LEU C CD2 1 ATOM 3807 N N . ALA B 1 150 ? -17.558 -26.547 22.844 1.00 35.53 ? 266 ALA C N 1 ATOM 3808 C CA . ALA B 1 150 ? -18.865 -26.093 23.298 1.00 36.81 ? 266 ALA C CA 1 ATOM 3809 C C . ALA B 1 150 ? -18.814 -25.911 24.812 1.00 42.61 ? 266 ALA C C 1 ATOM 3810 O O . ALA B 1 150 ? -18.240 -26.738 25.520 1.00 42.99 ? 266 ALA C O 1 ATOM 3811 C CB . ALA B 1 150 ? -19.938 -27.094 22.914 1.00 38.33 ? 266 ALA C CB 1 ATOM 3812 N N . GLU B 1 151 ? -19.408 -24.831 25.308 1.00 39.19 ? 267 GLU C N 1 ATOM 3813 C CA . GLU B 1 151 ? -19.285 -24.481 26.722 1.00 46.07 ? 267 GLU C CA 1 ATOM 3814 C C . GLU B 1 151 ? -20.102 -25.364 27.667 1.00 52.26 ? 267 GLU C C 1 ATOM 3815 O O . GLU B 1 151 ? -19.748 -25.516 28.837 1.00 52.50 ? 267 GLU C O 1 ATOM 3816 C CB . GLU B 1 151 ? -19.623 -23.004 26.950 1.00 59.12 ? 267 GLU C CB 1 ATOM 3817 C CG . GLU B 1 151 ? -18.621 -22.038 26.335 1.00 68.38 ? 267 GLU C CG 1 ATOM 3818 C CD . GLU B 1 151 ? -18.877 -20.598 26.737 1.00 79.14 ? 267 GLU C CD 1 ATOM 3819 O OE1 . GLU B 1 151 ? -19.300 -19.804 25.871 1.00 86.72 ? 267 GLU C OE1 1 ATOM 3820 O OE2 . GLU B 1 151 ? -18.652 -20.259 27.918 1.00 82.08 ? 267 GLU C OE2 1 ATOM 3821 N N . GLU B 1 152 ? -21.189 -25.943 27.169 1.00 43.60 ? 268 GLU C N 1 ATOM 3822 C CA . GLU B 1 152 ? -22.034 -26.791 28.007 1.00 50.85 ? 268 GLU C CA 1 ATOM 3823 C C . GLU B 1 152 ? -22.160 -28.218 27.477 1.00 49.33 ? 268 GLU C C 1 ATOM 3824 O O . GLU B 1 152 ? -21.258 -29.033 27.657 1.00 49.29 ? 268 GLU C O 1 ATOM 3825 C CB . GLU B 1 152 ? -23.414 -26.161 28.210 1.00 55.65 ? 268 GLU C CB 1 ATOM 3826 C CG . GLU B 1 152 ? -23.391 -24.904 29.067 1.00 61.69 ? 268 GLU C CG 1 ATOM 3827 C CD . GLU B 1 152 ? -24.779 -24.399 29.406 1.00 69.82 ? 268 GLU C CD 1 ATOM 3828 O OE1 . GLU B 1 152 ? -25.765 -25.012 28.948 1.00 74.25 ? 268 GLU C OE1 1 ATOM 3829 O OE2 . GLU B 1 152 ? -24.882 -23.388 30.132 1.00 70.13 ? 268 GLU C OE2 1 ATOM 3830 N N . GLU B 1 153 ? -23.282 -28.520 26.832 1.00 46.22 ? 269 GLU C N 1 ATOM 3831 C CA . GLU B 1 153 ? -23.512 -29.861 26.304 1.00 49.20 ? 269 GLU C CA 1 ATOM 3832 C C . GLU B 1 153 ? -22.890 -30.040 24.923 1.00 52.29 ? 269 GLU C C 1 ATOM 3833 O O . GLU B 1 153 ? -22.576 -29.063 24.240 1.00 45.73 ? 269 GLU C O 1 ATOM 3834 C CB . GLU B 1 153 ? -25.009 -30.171 26.240 1.00 56.90 ? 269 GLU C CB 1 ATOM 3835 C CG . GLU B 1 153 ? -25.724 -30.108 27.579 1.00 66.86 ? 269 GLU C CG 1 ATOM 3836 C CD . GLU B 1 153 ? -27.128 -30.677 27.513 1.00 80.10 ? 269 GLU C CD 1 ATOM 3837 O OE1 . GLU B 1 153 ? -27.346 -31.634 26.740 1.00 80.39 ? 269 GLU C OE1 1 ATOM 3838 O OE2 . GLU B 1 153 ? -28.014 -30.166 28.231 1.00 86.51 ? 269 GLU C OE2 1 ATOM 3839 N N . ILE B 1 154 ? -22.712 -31.294 24.521 1.00 41.99 ? 270 ILE C N 1 ATOM 3840 C CA . ILE B 1 154 ? -22.224 -31.614 23.185 1.00 40.42 ? 270 ILE C CA 1 ATOM 3841 C C . ILE B 1 154 ? -23.268 -31.213 22.149 1.00 41.25 ? 270 ILE C C 1 ATOM 3842 O O . ILE B 1 154 ? -24.442 -31.555 22.280 1.00 46.35 ? 270 ILE C O 1 ATOM 3843 C CB . ILE B 1 154 ? -21.914 -33.117 23.046 1.00 40.94 ? 270 ILE C CB 1 ATOM 3844 C CG1 . ILE B 1 154 ? -20.754 -33.508 23.963 1.00 45.75 ? 270 ILE C CG1 1 ATOM 3845 C CG2 . ILE B 1 154 ? -21.586 -33.468 21.604 1.00 39.77 ? 270 ILE C CG2 1 ATOM 3846 C CD1 . ILE B 1 154 ? -20.328 -34.954 23.825 1.00 46.58 ? 270 ILE C CD1 1 ATOM 3847 N N . ILE B 1 155 ? -22.838 -30.483 21.124 1.00 39.43 ? 271 ILE C N 1 ATOM 3848 C CA . ILE B 1 155 ? -23.759 -29.964 20.117 1.00 42.95 ? 271 ILE C CA 1 ATOM 3849 C C . ILE B 1 155 ? -23.659 -30.713 18.789 1.00 45.07 ? 271 ILE C C 1 ATOM 3850 O O . ILE B 1 155 ? -22.565 -30.932 18.269 1.00 43.55 ? 271 ILE C O 1 ATOM 3851 C CB . ILE B 1 155 ? -23.521 -28.459 19.866 1.00 38.80 ? 271 ILE C CB 1 ATOM 3852 C CG1 . ILE B 1 155 ? -23.564 -27.683 21.184 1.00 47.69 ? 271 ILE C CG1 1 ATOM 3853 C CG2 . ILE B 1 155 ? -24.547 -27.908 18.886 1.00 41.57 ? 271 ILE C CG2 1 ATOM 3854 C CD1 . ILE B 1 155 ? -24.882 -27.795 21.918 1.00 53.13 ? 271 ILE C CD1 1 ATOM 3855 N N . ILE B 1 156 ? -24.811 -31.101 18.248 1.00 48.00 ? 272 ILE C N 1 ATOM 3856 C CA . ILE B 1 156 ? -24.876 -31.730 16.934 1.00 42.29 ? 272 ILE C CA 1 ATOM 3857 C C . ILE B 1 156 ? -25.324 -30.711 15.890 1.00 46.34 ? 272 ILE C C 1 ATOM 3858 O O . ILE B 1 156 ? -26.394 -30.117 16.012 1.00 45.50 ? 272 ILE C O 1 ATOM 3859 C CB . ILE B 1 156 ? -25.854 -32.918 16.925 1.00 45.90 ? 272 ILE C CB 1 ATOM 3860 C CG1 . ILE B 1 156 ? -25.450 -33.951 17.979 1.00 45.53 ? 272 ILE C CG1 1 ATOM 3861 C CG2 . ILE B 1 156 ? -25.913 -33.552 15.543 1.00 46.72 ? 272 ILE C CG2 1 ATOM 3862 C CD1 . ILE B 1 156 ? -24.052 -34.501 17.791 1.00 43.29 ? 272 ILE C CD1 1 ATOM 3863 N N . ARG B 1 157 ? -24.503 -30.514 14.863 1.00 43.66 ? 273 ARG C N 1 ATOM 3864 C CA . ARG B 1 157 ? -24.793 -29.514 13.840 1.00 47.52 ? 273 ARG C CA 1 ATOM 3865 C C . ARG B 1 157 ? -25.011 -30.142 12.467 1.00 40.94 ? 273 ARG C C 1 ATOM 3866 O O . ARG B 1 157 ? -24.227 -30.982 12.026 1.00 40.05 ? 273 ARG C O 1 ATOM 3867 C CB . ARG B 1 157 ? -23.666 -28.480 13.772 1.00 42.93 ? 273 ARG C CB 1 ATOM 3868 C CG . ARG B 1 157 ? -23.232 -27.960 15.131 1.00 41.15 ? 273 ARG C CG 1 ATOM 3869 C CD . ARG B 1 157 ? -22.244 -26.812 15.011 1.00 37.53 ? 273 ARG C CD 1 ATOM 3870 N NE . ARG B 1 157 ? -21.707 -26.434 16.315 1.00 36.03 ? 273 ARG C NE 1 ATOM 3871 C CZ . ARG B 1 157 ? -22.330 -25.639 17.178 1.00 42.49 ? 273 ARG C CZ 1 ATOM 3872 N NH1 . ARG B 1 157 ? -23.518 -25.132 16.879 1.00 44.74 ? 273 ARG C NH1 1 ATOM 3873 N NH2 . ARG B 1 157 ? -21.766 -25.352 18.344 1.00 33.98 ? 273 ARG C NH2 1 ATOM 3874 N N . SER B 1 158 ? -26.082 -29.724 11.800 1.00 42.81 ? 274 SER C N 1 ATOM 3875 C CA . SER B 1 158 ? -26.400 -30.202 10.460 1.00 48.13 ? 274 SER C CA 1 ATOM 3876 C C . SER B 1 158 ? -27.407 -29.278 9.787 1.00 48.36 ? 274 SER C C 1 ATOM 3877 O O . SER B 1 158 ? -28.302 -28.741 10.440 1.00 47.01 ? 274 SER C O 1 ATOM 3878 C CB . SER B 1 158 ? -26.953 -31.628 10.508 1.00 48.25 ? 274 SER C CB 1 ATOM 3879 O OG . SER B 1 158 ? -27.346 -32.064 9.217 1.00 47.62 ? 274 SER C OG 1 ATOM 3880 N N . GLU B 1 159 ? -27.255 -29.092 8.480 1.00 45.48 ? 275 GLU C N 1 ATOM 3881 C CA . GLU B 1 159 ? -28.186 -28.272 7.714 1.00 50.16 ? 275 GLU C CA 1 ATOM 3882 C C . GLU B 1 159 ? -29.536 -28.972 7.619 1.00 52.08 ? 275 GLU C C 1 ATOM 3883 O O . GLU B 1 159 ? -30.581 -28.327 7.518 1.00 56.79 ? 275 GLU C O 1 ATOM 3884 C CB . GLU B 1 159 ? -27.632 -27.995 6.315 1.00 46.47 ? 275 GLU C CB 1 ATOM 3885 C CG . GLU B 1 159 ? -28.443 -26.989 5.513 1.00 48.20 ? 275 GLU C CG 1 ATOM 3886 C CD . GLU B 1 159 ? -27.833 -26.695 4.156 1.00 55.08 ? 275 GLU C CD 1 ATOM 3887 O OE1 . GLU B 1 159 ? -26.963 -27.473 3.711 1.00 53.23 ? 275 GLU C OE1 1 ATOM 3888 O OE2 . GLU B 1 159 ? -28.223 -25.684 3.536 1.00 63.99 ? 275 GLU C OE2 1 ATOM 3889 N N . ASN B 1 160 ? -29.500 -30.299 7.663 1.00 51.48 ? 276 ASN C N 1 ATOM 3890 C CA . ASN B 1 160 ? -30.702 -31.116 7.583 1.00 58.29 ? 276 ASN C CA 1 ATOM 3891 C C . ASN B 1 160 ? -30.395 -32.529 8.064 1.00 55.18 ? 276 ASN C C 1 ATOM 3892 O O . ASN B 1 160 ? -29.938 -33.369 7.289 1.00 55.14 ? 276 ASN C O 1 ATOM 3893 C CB . ASN B 1 160 ? -31.228 -31.137 6.145 1.00 62.29 ? 276 ASN C CB 1 ATOM 3894 C CG . ASN B 1 160 ? -32.625 -31.723 6.034 1.00 79.96 ? 276 ASN C CG 1 ATOM 3895 O OD1 . ASN B 1 160 ? -33.220 -32.144 7.028 1.00 68.75 ? 276 ASN C OD1 1 ATOM 3896 N ND2 . ASN B 1 160 ? -33.162 -31.736 4.815 1.00 103.68 ? 276 ASN C ND2 1 ATOM 3897 N N . LEU B 1 161 ? -30.634 -32.779 9.350 1.00 55.57 ? 277 LEU C N 1 ATOM 3898 C CA . LEU B 1 161 ? -30.331 -34.073 9.960 1.00 61.82 ? 277 LEU C CA 1 ATOM 3899 C C . LEU B 1 161 ? -31.072 -35.224 9.291 1.00 62.34 ? 277 LEU C C 1 ATOM 3900 O O . LEU B 1 161 ? -30.531 -36.320 9.149 1.00 58.91 ? 277 LEU C O 1 ATOM 3901 C CB . LEU B 1 161 ? -30.642 -34.056 11.459 1.00 64.12 ? 277 LEU C CB 1 ATOM 3902 C CG . LEU B 1 161 ? -29.504 -33.650 12.396 1.00 64.31 ? 277 LEU C CG 1 ATOM 3903 C CD1 . LEU B 1 161 ? -29.968 -33.683 13.842 1.00 66.91 ? 277 LEU C CD1 1 ATOM 3904 C CD2 . LEU B 1 161 ? -28.300 -34.560 12.199 1.00 56.13 ? 277 LEU C CD2 1 ATOM 3905 N N . THR B 1 162 ? -32.310 -34.968 8.882 1.00 62.85 ? 278 THR C N 1 ATOM 3906 C CA . THR B 1 162 ? -33.109 -35.976 8.197 1.00 68.19 ? 278 THR C CA 1 ATOM 3907 C C . THR B 1 162 ? -32.520 -36.295 6.825 1.00 66.64 ? 278 THR C C 1 ATOM 3908 O O . THR B 1 162 ? -32.727 -37.382 6.287 1.00 70.45 ? 278 THR C O 1 ATOM 3909 C CB . THR B 1 162 ? -34.576 -35.533 8.050 1.00 72.36 ? 278 THR C CB 1 ATOM 3910 O OG1 . THR B 1 162 ? -34.625 -34.221 7.479 1.00 82.04 ? 278 THR C OG1 1 ATOM 3911 C CG2 . THR B 1 162 ? -35.259 -35.506 9.408 1.00 73.51 ? 278 THR C CG2 1 ATOM 3912 N N . ASN B 1 163 ? -31.782 -35.339 6.267 1.00 66.08 ? 279 ASN C N 1 ATOM 3913 C CA . ASN B 1 163 ? -31.066 -35.552 5.015 1.00 66.60 ? 279 ASN C CA 1 ATOM 3914 C C . ASN B 1 163 ? -29.704 -36.176 5.292 1.00 65.59 ? 279 ASN C C 1 ATOM 3915 O O . ASN B 1 163 ? -28.796 -35.509 5.790 1.00 64.31 ? 279 ASN C O 1 ATOM 3916 C CB . ASN B 1 163 ? -30.898 -34.230 4.263 1.00 67.84 ? 279 ASN C CB 1 ATOM 3917 C CG . ASN B 1 163 ? -30.478 -34.424 2.816 1.00 65.81 ? 279 ASN C CG 1 ATOM 3918 O OD1 . ASN B 1 163 ? -29.903 -35.451 2.451 1.00 65.63 ? 279 ASN C OD1 1 ATOM 3919 N ND2 . ASN B 1 163 ? -30.763 -33.431 1.982 1.00 64.37 ? 279 ASN C ND2 1 ATOM 3920 N N . ASN B 1 164 ? -29.566 -37.456 4.963 1.00 64.62 ? 280 ASN C N 1 ATOM 3921 C CA . ASN B 1 164 ? -28.335 -38.193 5.227 1.00 65.36 ? 280 ASN C CA 1 ATOM 3922 C C . ASN B 1 164 ? -27.146 -37.699 4.407 1.00 63.61 ? 280 ASN C C 1 ATOM 3923 O O . ASN B 1 164 ? -25.994 -37.988 4.733 1.00 66.36 ? 280 ASN C O 1 ATOM 3924 C CB . ASN B 1 164 ? -28.550 -39.688 4.985 1.00 65.57 ? 280 ASN C CB 1 ATOM 3925 C CG . ASN B 1 164 ? -28.982 -39.991 3.564 1.00 67.37 ? 280 ASN C CG 1 ATOM 3926 O OD1 . ASN B 1 164 ? -30.171 -39.973 3.246 1.00 69.40 ? 280 ASN C OD1 1 ATOM 3927 N ND2 . ASN B 1 164 ? -28.014 -40.272 2.699 1.00 63.19 ? 280 ASN C ND2 1 ATOM 3928 N N . ALA B 1 165 ? -27.429 -36.954 3.343 1.00 55.11 ? 281 ALA C N 1 ATOM 3929 C CA . ALA B 1 165 ? -26.382 -36.447 2.464 1.00 61.49 ? 281 ALA C CA 1 ATOM 3930 C C . ALA B 1 165 ? -25.682 -35.223 3.053 1.00 61.32 ? 281 ALA C C 1 ATOM 3931 O O . ALA B 1 165 ? -24.612 -34.828 2.590 1.00 65.28 ? 281 ALA C O 1 ATOM 3932 C CB . ALA B 1 165 ? -26.952 -36.124 1.091 1.00 63.53 ? 281 ALA C CB 1 ATOM 3933 N N . LYS B 1 166 ? -26.290 -34.627 4.074 1.00 55.42 ? 282 LYS C N 1 ATOM 3934 C CA . LYS B 1 166 ? -25.721 -33.449 4.720 1.00 47.14 ? 282 LYS C CA 1 ATOM 3935 C C . LYS B 1 166 ? -24.728 -33.841 5.809 1.00 55.18 ? 282 LYS C C 1 ATOM 3936 O O . LYS B 1 166 ? -24.997 -34.726 6.619 1.00 56.79 ? 282 LYS C O 1 ATOM 3937 C CB . LYS B 1 166 ? -26.825 -32.564 5.301 1.00 51.40 ? 282 LYS C CB 1 ATOM 3938 C CG . LYS B 1 166 ? -27.745 -31.955 4.254 1.00 50.45 ? 282 LYS C CG 1 ATOM 3939 C CD . LYS B 1 166 ? -26.971 -31.075 3.285 1.00 54.30 ? 282 LYS C CD 1 ATOM 3940 C CE . LYS B 1 166 ? -27.891 -30.464 2.239 1.00 69.25 ? 282 LYS C CE 1 ATOM 3941 N NZ . LYS B 1 166 ? -27.152 -29.587 1.289 1.00 70.56 ? 282 LYS C NZ 1 ATOM 3942 N N . THR B 1 167 ? -23.579 -33.174 5.820 1.00 47.27 ? 283 THR C N 1 ATOM 3943 C CA . THR B 1 167 ? -22.517 -33.474 6.775 1.00 40.04 ? 283 THR C CA 1 ATOM 3944 C C . THR B 1 167 ? -22.931 -33.109 8.194 1.00 39.98 ? 283 THR C C 1 ATOM 3945 O O . THR B 1 167 ? -23.516 -32.051 8.429 1.00 40.15 ? 283 THR C O 1 ATOM 3946 C CB . THR B 1 167 ? -21.216 -32.722 6.423 1.00 43.08 ? 283 THR C CB 1 ATOM 3947 O OG1 . THR B 1 167 ? -20.845 -33.016 5.072 1.00 52.58 ? 283 THR C OG1 1 ATOM 3948 C CG2 . THR B 1 167 ? -20.086 -33.134 7.353 1.00 53.36 ? 283 THR C CG2 1 ATOM 3949 N N . ILE B 1 168 ? -22.632 -33.997 9.135 1.00 39.93 ? 284 ILE C N 1 ATOM 3950 C CA . ILE B 1 168 ? -22.879 -33.734 10.546 1.00 39.86 ? 284 ILE C CA 1 ATOM 3951 C C . ILE B 1 168 ? -21.594 -33.282 11.226 1.00 46.82 ? 284 ILE C C 1 ATOM 3952 O O . ILE B 1 168 ? -20.555 -33.929 11.099 1.00 36.83 ? 284 ILE C O 1 ATOM 3953 C CB . ILE B 1 168 ? -23.414 -34.986 11.267 1.00 41.99 ? 284 ILE C CB 1 ATOM 3954 C CG1 . ILE B 1 168 ? -24.727 -35.447 10.632 1.00 46.78 ? 284 ILE C CG1 1 ATOM 3955 C CG2 . ILE B 1 168 ? -23.602 -34.714 12.756 1.00 45.92 ? 284 ILE C CG2 1 ATOM 3956 C CD1 . ILE B 1 168 ? -25.305 -36.694 11.261 1.00 47.25 ? 284 ILE C CD1 1 ATOM 3957 N N . ILE B 1 169 ? -21.666 -32.163 11.938 1.00 40.22 ? 285 ILE C N 1 ATOM 3958 C CA . ILE B 1 169 ? -20.539 -31.691 12.729 1.00 37.48 ? 285 ILE C CA 1 ATOM 3959 C C . ILE B 1 169 ? -20.828 -31.877 14.212 1.00 38.62 ? 285 ILE C C 1 ATOM 3960 O O . ILE B 1 169 ? -21.801 -31.334 14.738 1.00 40.91 ? 285 ILE C O 1 ATOM 3961 C CB . ILE B 1 169 ? -20.229 -30.209 12.457 1.00 34.65 ? 285 ILE C CB 1 ATOM 3962 C CG1 . ILE B 1 169 ? -19.864 -30.004 10.986 1.00 39.06 ? 285 ILE C CG1 1 ATOM 3963 C CG2 . ILE B 1 169 ? -19.103 -29.727 13.362 1.00 34.48 ? 285 ILE C CG2 1 ATOM 3964 C CD1 . ILE B 1 169 ? -19.534 -28.569 10.634 1.00 44.47 ? 285 ILE C CD1 1 ATOM 3965 N N . VAL B 1 170 ? -19.988 -32.659 14.880 1.00 36.69 ? 286 VAL C N 1 ATOM 3966 C CA . VAL B 1 170 ? -20.102 -32.850 16.317 1.00 40.06 ? 286 VAL C CA 1 ATOM 3967 C C . VAL B 1 170 ? -19.180 -31.871 17.030 1.00 41.54 ? 286 VAL C C 1 ATOM 3968 O O . VAL B 1 170 ? -17.986 -31.815 16.741 1.00 39.41 ? 286 VAL C O 1 ATOM 3969 C CB . VAL B 1 170 ? -19.728 -34.286 16.727 1.00 43.61 ? 286 VAL C CB 1 ATOM 3970 C CG1 . VAL B 1 170 ? -19.843 -34.456 18.235 1.00 45.85 ? 286 VAL C CG1 1 ATOM 3971 C CG2 . VAL B 1 170 ? -20.610 -35.291 16.003 1.00 41.21 ? 286 VAL C CG2 1 ATOM 3972 N N . HIS B 1 171 ? -19.737 -31.090 17.949 1.00 40.58 ? 287 HIS C N 1 ATOM 3973 C CA . HIS B 1 171 ? -18.941 -30.134 18.708 1.00 37.40 ? 287 HIS C CA 1 ATOM 3974 C C . HIS B 1 171 ? -18.761 -30.623 20.141 1.00 33.89 ? 287 HIS C C 1 ATOM 3975 O O . HIS B 1 171 ? -19.701 -30.610 20.935 1.00 39.50 ? 287 HIS C O 1 ATOM 3976 C CB . HIS B 1 171 ? -19.596 -28.752 18.693 1.00 34.68 ? 287 HIS C CB 1 ATOM 3977 C CG . HIS B 1 171 ? -18.639 -27.628 18.942 1.00 35.31 ? 287 HIS C CG 1 ATOM 3978 N ND1 . HIS B 1 171 ? -19.045 -26.317 19.067 1.00 39.20 ? 287 HIS C ND1 1 ATOM 3979 C CD2 . HIS B 1 171 ? -17.292 -27.619 19.083 1.00 34.59 ? 287 HIS C CD2 1 ATOM 3980 C CE1 . HIS B 1 171 ? -17.991 -25.549 19.277 1.00 44.90 ? 287 HIS C CE1 1 ATOM 3981 N NE2 . HIS B 1 171 ? -16.914 -26.315 19.292 1.00 41.57 ? 287 HIS C NE2 1 ATOM 3982 N N . LEU B 1 172 ? -17.548 -31.058 20.462 1.00 35.78 ? 288 LEU C N 1 ATOM 3983 C CA . LEU B 1 172 ? -17.254 -31.613 21.778 1.00 32.15 ? 288 LEU C CA 1 ATOM 3984 C C . LEU B 1 172 ? -17.207 -30.527 22.848 1.00 40.77 ? 288 LEU C C 1 ATOM 3985 O O . LEU B 1 172 ? -16.936 -29.364 22.549 1.00 33.79 ? 288 LEU C O 1 ATOM 3986 C CB . LEU B 1 172 ? -15.924 -32.368 21.749 1.00 33.75 ? 288 LEU C CB 1 ATOM 3987 C CG . LEU B 1 172 ? -15.786 -33.471 20.697 1.00 35.13 ? 288 LEU C CG 1 ATOM 3988 C CD1 . LEU B 1 172 ? -14.421 -34.135 20.798 1.00 40.47 ? 288 LEU C CD1 1 ATOM 3989 C CD2 . LEU B 1 172 ? -16.898 -34.497 20.844 1.00 41.04 ? 288 LEU C CD2 1 ATOM 3990 N N . ASN B 1 173 ? -17.473 -30.914 24.093 1.00 35.44 ? 289 ASN C N 1 ATOM 3991 C CA . ASN B 1 173 ? -17.381 -29.988 25.217 1.00 41.21 ? 289 ASN C CA 1 ATOM 3992 C C . ASN B 1 173 ? -16.210 -30.329 26.135 1.00 48.29 ? 289 ASN C C 1 ATOM 3993 O O . ASN B 1 173 ? -16.030 -29.721 27.191 1.00 40.98 ? 289 ASN C O 1 ATOM 3994 C CB . ASN B 1 173 ? -18.700 -29.923 25.996 1.00 37.09 ? 289 ASN C CB 1 ATOM 3995 C CG . ASN B 1 173 ? -19.049 -31.230 26.687 1.00 45.24 ? 289 ASN C CG 1 ATOM 3996 O OD1 . ASN B 1 173 ? -18.550 -32.296 26.324 1.00 46.44 ? 289 ASN C OD1 1 ATOM 3997 N ND2 . ASN B 1 173 ? -19.920 -31.148 27.691 1.00 58.37 ? 289 ASN C ND2 1 ATOM 3998 N N . LYS B 1 174 ? -15.419 -31.311 25.715 1.00 37.13 ? 290 LYS C N 1 ATOM 3999 C CA . LYS B 1 174 ? -14.193 -31.680 26.408 1.00 39.20 ? 290 LYS C CA 1 ATOM 4000 C C . LYS B 1 174 ? -13.204 -32.243 25.393 1.00 41.64 ? 290 LYS C C 1 ATOM 4001 O O . LYS B 1 174 ? -13.478 -33.247 24.737 1.00 43.38 ? 290 LYS C O 1 ATOM 4002 C CB . LYS B 1 174 ? -14.473 -32.708 27.505 1.00 47.46 ? 290 LYS C CB 1 ATOM 4003 C CG . LYS B 1 174 ? -13.280 -32.993 28.405 1.00 54.30 ? 290 LYS C CG 1 ATOM 4004 C CD . LYS B 1 174 ? -13.617 -34.041 29.455 1.00 64.72 ? 290 LYS C CD 1 ATOM 4005 C CE . LYS B 1 174 ? -12.463 -34.243 30.425 1.00 69.77 ? 290 LYS C CE 1 ATOM 4006 N NZ . LYS B 1 174 ? -12.161 -33.004 31.195 1.00 74.13 ? 290 LYS C NZ 1 ATOM 4007 N N . SER B 1 175 ? -12.058 -31.585 25.261 1.00 37.96 ? 291 SER C N 1 ATOM 4008 C CA . SER B 1 175 ? -11.066 -31.974 24.266 1.00 45.52 ? 291 SER C CA 1 ATOM 4009 C C . SER B 1 175 ? -10.330 -33.250 24.658 1.00 45.48 ? 291 SER C C 1 ATOM 4010 O O . SER B 1 175 ? -10.160 -33.546 25.842 1.00 37.43 ? 291 SER C O 1 ATOM 4011 C CB . SER B 1 175 ? -10.060 -30.842 24.043 1.00 46.90 ? 291 SER C CB 1 ATOM 4012 O OG . SER B 1 175 ? -9.334 -30.566 25.229 1.00 57.33 ? 291 SER C OG 1 ATOM 4013 N N . VAL B 1 176 ? -9.902 -34.005 23.652 1.00 33.96 ? 292 VAL C N 1 ATOM 4014 C CA . VAL B 1 176 ? -9.081 -35.189 23.872 1.00 30.63 ? 292 VAL C CA 1 ATOM 4015 C C . VAL B 1 176 ? -7.821 -35.083 23.024 1.00 34.06 ? 292 VAL C C 1 ATOM 4016 O O . VAL B 1 176 ? -7.898 -34.878 21.814 1.00 34.26 ? 292 VAL C O 1 ATOM 4017 C CB . VAL B 1 176 ? -9.829 -36.481 23.495 1.00 36.96 ? 292 VAL C CB 1 ATOM 4018 C CG1 . VAL B 1 176 ? -8.969 -37.700 23.803 1.00 38.92 ? 292 VAL C CG1 1 ATOM 4019 C CG2 . VAL B 1 176 ? -11.159 -36.564 24.229 1.00 46.72 ? 292 VAL C CG2 1 ATOM 4020 N N . GLU B 1 177 ? -6.660 -35.217 23.658 1.00 31.35 ? 293 GLU C N 1 ATOM 4021 C CA . GLU B 1 177 ? -5.395 -35.087 22.944 1.00 34.24 ? 293 GLU C CA 1 ATOM 4022 C C . GLU B 1 177 ? -5.133 -36.253 21.996 1.00 25.41 ? 293 GLU C C 1 ATOM 4023 O O . GLU B 1 177 ? -5.368 -37.411 22.340 1.00 30.79 ? 293 GLU C O 1 ATOM 4024 C CB . GLU B 1 177 ? -4.223 -34.947 23.922 1.00 34.06 ? 293 GLU C CB 1 ATOM 4025 C CG . GLU B 1 177 ? -4.077 -33.566 24.536 1.00 40.56 ? 293 GLU C CG 1 ATOM 4026 C CD . GLU B 1 177 ? -2.768 -33.399 25.286 1.00 48.13 ? 293 GLU C CD 1 ATOM 4027 O OE1 . GLU B 1 177 ? -2.115 -34.422 25.582 1.00 39.56 ? 293 GLU C OE1 1 ATOM 4028 O OE2 . GLU B 1 177 ? -2.389 -32.244 25.573 1.00 42.53 ? 293 GLU C OE2 1 ATOM 4029 N N . ILE B 1 178 ? -4.651 -35.931 20.800 1.00 31.11 ? 294 ILE C N 1 ATOM 4030 C CA . ILE B 1 178 ? -4.131 -36.936 19.881 1.00 24.30 ? 294 ILE C CA 1 ATOM 4031 C C . ILE B 1 178 ? -2.649 -36.660 19.612 1.00 26.72 ? 294 ILE C C 1 ATOM 4032 O O . ILE B 1 178 ? -2.275 -35.582 19.147 1.00 30.82 ? 294 ILE C O 1 ATOM 4033 C CB . ILE B 1 178 ? -4.955 -37.025 18.570 1.00 24.80 ? 294 ILE C CB 1 ATOM 4034 C CG1 . ILE B 1 178 ? -4.328 -38.041 17.612 1.00 33.31 ? 294 ILE C CG1 1 ATOM 4035 C CG2 . ILE B 1 178 ? -5.099 -35.656 17.909 1.00 27.05 ? 294 ILE C CG2 1 ATOM 4036 C CD1 . ILE B 1 178 ? -5.167 -38.323 16.382 1.00 36.11 ? 294 ILE C CD1 1 ATOM 4037 N N . ASN B 1 179 ? -1.811 -37.639 19.938 1.00 30.48 ? 295 ASN C N 1 ATOM 4038 C CA . ASN B 1 179 ? -0.362 -37.464 19.933 1.00 26.79 ? 295 ASN C CA 1 ATOM 4039 C C . ASN B 1 179 ? 0.294 -38.228 18.791 1.00 24.03 ? 295 ASN C C 1 ATOM 4040 O O . ASN B 1 179 ? 0.515 -39.434 18.890 1.00 29.99 ? 295 ASN C O 1 ATOM 4041 C CB . ASN B 1 179 ? 0.208 -37.940 21.273 1.00 28.24 ? 295 ASN C CB 1 ATOM 4042 C CG . ASN B 1 179 ? 1.669 -37.567 21.466 1.00 34.83 ? 295 ASN C CG 1 ATOM 4043 O OD1 . ASN B 1 179 ? 2.356 -37.161 20.529 1.00 30.50 ? 295 ASN C OD1 1 ATOM 4044 N ND2 . ASN B 1 179 ? 2.150 -37.712 22.697 1.00 36.21 ? 295 ASN C ND2 1 ATOM 4045 N N . CYS B 1 180 ? 0.614 -37.520 17.712 1.00 29.22 ? 296 CYS C N 1 ATOM 4046 C CA . CYS B 1 180 ? 1.175 -38.155 16.522 1.00 26.09 ? 296 CYS C CA 1 ATOM 4047 C C . CYS B 1 180 ? 2.684 -37.954 16.420 1.00 27.13 ? 296 CYS C C 1 ATOM 4048 O O . CYS B 1 180 ? 3.185 -36.841 16.584 1.00 30.85 ? 296 CYS C O 1 ATOM 4049 C CB . CYS B 1 180 ? 0.477 -37.636 15.267 1.00 24.78 ? 296 CYS C CB 1 ATOM 4050 S SG . CYS B 1 180 ? -1.318 -37.739 15.366 1.00 36.59 ? 296 CYS C SG 1 ATOM 4051 N N . THR B 1 181 ? 3.402 -39.038 16.143 1.00 26.95 ? 297 THR C N 1 ATOM 4052 C CA . THR B 1 181 ? 4.859 -39.006 16.151 1.00 28.92 ? 297 THR C CA 1 ATOM 4053 C C . THR B 1 181 ? 5.492 -39.844 15.043 1.00 33.86 ? 297 THR C C 1 ATOM 4054 O O . THR B 1 181 ? 5.105 -40.990 14.817 1.00 31.28 ? 297 THR C O 1 ATOM 4055 C CB . THR B 1 181 ? 5.416 -39.499 17.505 1.00 31.00 ? 297 THR C CB 1 ATOM 4056 O OG1 . THR B 1 181 ? 5.012 -38.605 18.549 1.00 32.64 ? 297 THR C OG1 1 ATOM 4057 C CG2 . THR B 1 181 ? 6.937 -39.581 17.468 1.00 31.38 ? 297 THR C CG2 1 ATOM 4058 N N . ARG B 1 182 ? 6.460 -39.253 14.351 1.00 32.19 ? 298 ARG C N 1 ATOM 4059 C CA . ARG B 1 182 ? 7.373 -40.006 13.504 1.00 32.48 ? 298 ARG C CA 1 ATOM 4060 C C . ARG B 1 182 ? 8.708 -40.031 14.239 1.00 31.71 ? 298 ARG C C 1 ATOM 4061 O O . ARG B 1 182 ? 9.432 -39.036 14.240 1.00 30.23 ? 298 ARG C O 1 ATOM 4062 C CB . ARG B 1 182 ? 7.529 -39.327 12.140 1.00 28.25 ? 298 ARG C CB 1 ATOM 4063 C CG . ARG B 1 182 ? 7.934 -40.254 10.992 1.00 27.53 ? 298 ARG C CG 1 ATOM 4064 C CD . ARG B 1 182 ? 9.338 -40.829 11.156 1.00 30.43 ? 298 ARG C CD 1 ATOM 4065 N NE . ARG B 1 182 ? 10.349 -39.789 11.333 1.00 31.15 ? 298 ARG C NE 1 ATOM 4066 C CZ . ARG B 1 182 ? 11.089 -39.290 10.348 1.00 32.69 ? 298 ARG C CZ 1 ATOM 4067 N NH1 . ARG B 1 182 ? 10.933 -39.735 9.109 1.00 33.68 ? 298 ARG C NH1 1 ATOM 4068 N NH2 . ARG B 1 182 ? 11.987 -38.347 10.602 1.00 30.11 ? 298 ARG C NH2 1 ATOM 4069 N N . PRO B 1 183 ? 9.036 -41.170 14.873 1.00 31.67 ? 299 PRO C N 1 ATOM 4070 C CA . PRO B 1 183 ? 10.239 -41.285 15.707 1.00 31.72 ? 299 PRO C CA 1 ATOM 4071 C C . PRO B 1 183 ? 11.525 -41.071 14.913 1.00 37.17 ? 299 PRO C C 1 ATOM 4072 O O . PRO B 1 183 ? 11.560 -41.344 13.714 1.00 35.43 ? 299 PRO C O 1 ATOM 4073 C CB . PRO B 1 183 ? 10.167 -42.725 16.229 1.00 30.57 ? 299 PRO C CB 1 ATOM 4074 C CG . PRO B 1 183 ? 9.332 -43.450 15.227 1.00 39.03 ? 299 PRO C CG 1 ATOM 4075 C CD . PRO B 1 183 ? 8.315 -42.450 14.763 1.00 32.71 ? 299 PRO C CD 1 ATOM 4076 N N . SER B 1 184 ? 12.566 -40.587 15.585 1.00 38.74 ? 300 SER C N 1 ATOM 4077 C CA . SER B 1 184 ? 13.844 -40.309 14.938 1.00 45.83 ? 300 SER C CA 1 ATOM 4078 C C . SER B 1 184 ? 14.468 -41.568 14.341 1.00 54.25 ? 300 SER C C 1 ATOM 4079 O O . SER B 1 184 ? 14.683 -41.650 13.132 1.00 57.68 ? 300 SER C O 1 ATOM 4080 C CB . SER B 1 184 ? 14.814 -39.658 15.927 1.00 52.61 ? 300 SER C CB 1 ATOM 4081 O OG . SER B 1 184 ? 16.045 -39.343 15.301 1.00 60.04 ? 300 SER C OG 1 ATOM 4082 N N . ASN B 1 185 ? 14.758 -42.545 15.194 1.00 63.43 ? 301 ASN C N 1 ATOM 4083 C CA . ASN B 1 185 ? 15.325 -43.812 14.741 1.00 83.10 ? 301 ASN C CA 1 ATOM 4084 C C . ASN B 1 185 ? 14.337 -44.968 14.855 1.00 87.91 ? 301 ASN C C 1 ATOM 4085 O O . ASN B 1 185 ? 14.330 -45.875 14.022 1.00 87.92 ? 301 ASN C O 1 ATOM 4086 C CB . ASN B 1 185 ? 16.609 -44.137 15.508 1.00 88.91 ? 301 ASN C CB 1 ATOM 4087 C CG . ASN B 1 185 ? 17.848 -43.578 14.834 1.00 91.97 ? 301 ASN C CG 1 ATOM 4088 O OD1 . ASN B 1 185 ? 17.756 -42.765 13.914 1.00 93.72 ? 301 ASN C OD1 1 ATOM 4089 N ND2 . ASN B 1 185 ? 19.017 -44.014 15.291 1.00 89.85 ? 301 ASN C ND2 1 ATOM 4090 N N . GLY B 1 192 ? 14.780 -47.909 10.197 1.00 68.91 ? 324 GLY C N 1 ATOM 4091 C CA . GLY B 1 192 ? 13.459 -48.410 9.866 1.00 72.49 ? 324 GLY C CA 1 ATOM 4092 C C . GLY B 1 192 ? 12.825 -47.667 8.706 1.00 70.37 ? 324 GLY C C 1 ATOM 4093 O O . GLY B 1 192 ? 13.522 -47.155 7.829 1.00 71.40 ? 324 GLY C O 1 ATOM 4094 N N . ASP B 1 193 ? 11.497 -47.607 8.703 1.00 61.86 ? 325 ASP C N 1 ATOM 4095 C CA . ASP B 1 193 ? 10.760 -46.924 7.646 1.00 53.89 ? 325 ASP C CA 1 ATOM 4096 C C . ASP B 1 193 ? 10.506 -45.467 8.016 1.00 39.47 ? 325 ASP C C 1 ATOM 4097 O O . ASP B 1 193 ? 9.775 -45.173 8.963 1.00 41.67 ? 325 ASP C O 1 ATOM 4098 C CB . ASP B 1 193 ? 9.439 -47.644 7.364 1.00 62.02 ? 325 ASP C CB 1 ATOM 4099 C CG . ASP B 1 193 ? 8.669 -47.026 6.211 1.00 67.22 ? 325 ASP C CG 1 ATOM 4100 O OD1 . ASP B 1 193 ? 9.283 -46.300 5.400 1.00 53.51 ? 325 ASP C OD1 1 ATOM 4101 O OD2 . ASP B 1 193 ? 7.449 -47.273 6.113 1.00 78.44 ? 325 ASP C OD2 1 ATOM 4102 N N . ILE B 1 194 ? 11.108 -44.558 7.255 1.00 34.49 ? 326 ILE C N 1 ATOM 4103 C CA . ILE B 1 194 ? 11.026 -43.130 7.544 1.00 33.25 ? 326 ILE C CA 1 ATOM 4104 C C . ILE B 1 194 ? 9.621 -42.562 7.358 1.00 38.27 ? 326 ILE C C 1 ATOM 4105 O O . ILE B 1 194 ? 9.323 -41.470 7.837 1.00 33.36 ? 326 ILE C O 1 ATOM 4106 C CB . ILE B 1 194 ? 12.013 -42.324 6.676 1.00 31.89 ? 326 ILE C CB 1 ATOM 4107 C CG1 . ILE B 1 194 ? 11.649 -42.452 5.195 1.00 41.57 ? 326 ILE C CG1 1 ATOM 4108 C CG2 . ILE B 1 194 ? 13.439 -42.795 6.917 1.00 38.34 ? 326 ILE C CG2 1 ATOM 4109 C CD1 . ILE B 1 194 ? 12.584 -41.703 4.270 1.00 37.73 ? 326 ILE C CD1 1 ATOM 4110 N N . ARG B 1 195 ? 8.761 -43.300 6.663 1.00 30.61 ? 327 ARG C N 1 ATOM 4111 C CA . ARG B 1 195 ? 7.402 -42.831 6.416 1.00 28.72 ? 327 ARG C CA 1 ATOM 4112 C C . ARG B 1 195 ? 6.396 -43.417 7.401 1.00 36.25 ? 327 ARG C C 1 ATOM 4113 O O . ARG B 1 195 ? 5.215 -43.078 7.363 1.00 35.04 ? 327 ARG C O 1 ATOM 4114 C CB . ARG B 1 195 ? 6.981 -43.133 4.976 1.00 35.14 ? 327 ARG C CB 1 ATOM 4115 C CG . ARG B 1 195 ? 7.795 -42.382 3.941 1.00 29.35 ? 327 ARG C CG 1 ATOM 4116 C CD . ARG B 1 195 ? 7.451 -42.822 2.528 1.00 30.87 ? 327 ARG C CD 1 ATOM 4117 N NE . ARG B 1 195 ? 8.391 -42.268 1.559 1.00 33.84 ? 327 ARG C NE 1 ATOM 4118 C CZ . ARG B 1 195 ? 9.558 -42.827 1.254 1.00 38.91 ? 327 ARG C CZ 1 ATOM 4119 N NH1 . ARG B 1 195 ? 9.925 -43.958 1.842 1.00 36.25 ? 327 ARG C NH1 1 ATOM 4120 N NH2 . ARG B 1 195 ? 10.357 -42.258 0.362 1.00 47.15 ? 327 ARG C NH2 1 ATOM 4121 N N . LYS B 1 196 ? 6.867 -44.288 8.287 1.00 31.44 ? 328 LYS C N 1 ATOM 4122 C CA . LYS B 1 196 ? 5.995 -44.905 9.281 1.00 35.15 ? 328 LYS C CA 1 ATOM 4123 C C . LYS B 1 196 ? 5.841 -44.018 10.514 1.00 40.30 ? 328 LYS C C 1 ATOM 4124 O O . LYS B 1 196 ? 6.826 -43.525 11.066 1.00 36.12 ? 328 LYS C O 1 ATOM 4125 C CB . LYS B 1 196 ? 6.522 -46.286 9.680 1.00 38.45 ? 328 LYS C CB 1 ATOM 4126 C CG . LYS B 1 196 ? 5.602 -47.056 10.615 1.00 39.73 ? 328 LYS C CG 1 ATOM 4127 C CD . LYS B 1 196 ? 6.128 -48.461 10.874 1.00 51.42 ? 328 LYS C CD 1 ATOM 4128 C CE . LYS B 1 196 ? 5.191 -49.244 11.781 1.00 54.88 ? 328 LYS C CE 1 ATOM 4129 N NZ . LYS B 1 196 ? 5.683 -50.629 12.025 1.00 50.81 ? 328 LYS C NZ 1 ATOM 4130 N N . ALA B 1 197 ? 4.598 -43.814 10.937 1.00 31.06 ? 329 ALA C N 1 ATOM 4131 C CA . ALA B 1 197 ? 4.311 -43.001 12.114 1.00 30.10 ? 329 ALA C CA 1 ATOM 4132 C C . ALA B 1 197 ? 3.107 -43.556 12.867 1.00 35.20 ? 329 ALA C C 1 ATOM 4133 O O . ALA B 1 197 ? 2.516 -44.554 12.458 1.00 33.75 ? 329 ALA C O 1 ATOM 4134 C CB . ALA B 1 197 ? 4.072 -41.551 11.714 1.00 35.36 ? 329 ALA C CB 1 ATOM 4135 N N . TYR B 1 198 ? 2.747 -42.906 13.969 1.00 34.45 ? 330 TYR C N 1 ATOM 4136 C CA . TYR B 1 198 ? 1.620 -43.356 14.777 1.00 34.28 ? 330 TYR C CA 1 ATOM 4137 C C . TYR B 1 198 ? 1.001 -42.223 15.589 1.00 37.33 ? 330 TYR C C 1 ATOM 4138 O O . TYR B 1 198 ? 1.667 -41.241 15.909 1.00 31.93 ? 330 TYR C O 1 ATOM 4139 C CB . TYR B 1 198 ? 2.046 -44.498 15.706 1.00 36.06 ? 330 TYR C CB 1 ATOM 4140 C CG . TYR B 1 198 ? 3.239 -44.177 16.581 1.00 38.83 ? 330 TYR C CG 1 ATOM 4141 C CD1 . TYR B 1 198 ? 3.073 -43.593 17.831 1.00 48.34 ? 330 TYR C CD1 1 ATOM 4142 C CD2 . TYR B 1 198 ? 4.531 -44.466 16.159 1.00 47.74 ? 330 TYR C CD2 1 ATOM 4143 C CE1 . TYR B 1 198 ? 4.162 -43.300 18.634 1.00 49.98 ? 330 TYR C CE1 1 ATOM 4144 C CE2 . TYR B 1 198 ? 5.625 -44.177 16.955 1.00 48.39 ? 330 TYR C CE2 1 ATOM 4145 C CZ . TYR B 1 198 ? 5.434 -43.594 18.191 1.00 52.11 ? 330 TYR C CZ 1 ATOM 4146 O OH . TYR B 1 198 ? 6.519 -43.305 18.986 1.00 61.73 ? 330 TYR C OH 1 ATOM 4147 N N . CYS B 1 199 ? -0.281 -42.369 15.909 1.00 31.51 ? 331 CYS C N 1 ATOM 4148 C CA . CYS B 1 199 ? -0.977 -41.422 16.772 1.00 28.70 ? 331 CYS C CA 1 ATOM 4149 C C . CYS B 1 199 ? -1.461 -42.117 18.038 1.00 32.27 ? 331 CYS C C 1 ATOM 4150 O O . CYS B 1 199 ? -2.019 -43.212 17.979 1.00 32.94 ? 331 CYS C O 1 ATOM 4151 C CB . CYS B 1 199 ? -2.160 -40.788 16.040 1.00 28.30 ? 331 CYS C CB 1 ATOM 4152 S SG . CYS B 1 199 ? -1.692 -39.633 14.735 1.00 40.06 ? 331 CYS C SG 1 ATOM 4153 N N . GLU B 1 200 ? -1.243 -41.476 19.181 1.00 30.22 ? 332 GLU C N 1 ATOM 4154 C CA . GLU B 1 200 ? -1.655 -42.040 20.461 1.00 29.84 ? 332 GLU C CA 1 ATOM 4155 C C . GLU B 1 200 ? -2.793 -41.239 21.083 1.00 30.89 ? 332 GLU C C 1 ATOM 4156 O O . GLU B 1 200 ? -2.746 -40.010 21.134 1.00 31.70 ? 332 GLU C O 1 ATOM 4157 C CB . GLU B 1 200 ? -0.469 -42.106 21.425 1.00 36.88 ? 332 GLU C CB 1 ATOM 4158 C CG . GLU B 1 200 ? 0.617 -43.082 21.008 1.00 42.10 ? 332 GLU C CG 1 ATOM 4159 C CD . GLU B 1 200 ? 1.778 -43.106 21.982 1.00 48.65 ? 332 GLU C CD 1 ATOM 4160 O OE1 . GLU B 1 200 ? 2.026 -42.073 22.638 1.00 60.11 ? 332 GLU C OE1 1 ATOM 4161 O OE2 . GLU B 1 200 ? 2.439 -44.160 22.096 1.00 49.14 ? 332 GLU C OE2 1 ATOM 4162 N N . ILE B 1 201 ? -3.818 -41.946 21.548 1.00 32.75 ? 333 ILE C N 1 ATOM 4163 C CA . ILE B 1 201 ? -4.970 -41.318 22.187 1.00 30.60 ? 333 ILE C CA 1 ATOM 4164 C C . ILE B 1 201 ? -5.336 -42.074 23.465 1.00 33.91 ? 333 ILE C C 1 ATOM 4165 O O . ILE B 1 201 ? -5.354 -43.303 23.479 1.00 37.58 ? 333 ILE C O 1 ATOM 4166 C CB . ILE B 1 201 ? -6.202 -41.291 21.249 1.00 36.61 ? 333 ILE C CB 1 ATOM 4167 C CG1 . ILE B 1 201 ? -5.891 -40.543 19.948 1.00 39.74 ? 333 ILE C CG1 1 ATOM 4168 C CG2 . ILE B 1 201 ? -7.398 -40.657 21.944 1.00 31.76 ? 333 ILE C CG2 1 ATOM 4169 C CD1 . ILE B 1 201 ? -5.449 -41.440 18.807 1.00 39.60 ? 333 ILE C CD1 1 ATOM 4170 N N . ASN B 1 202 ? -5.619 -41.340 24.537 1.00 37.03 ? 334 ASN C N 1 ATOM 4171 C CA . ASN B 1 202 ? -6.054 -41.955 25.785 1.00 39.53 ? 334 ASN C CA 1 ATOM 4172 C C . ASN B 1 202 ? -7.423 -42.613 25.627 1.00 37.02 ? 334 ASN C C 1 ATOM 4173 O O . ASN B 1 202 ? -8.428 -41.940 25.406 1.00 45.38 ? 334 ASN C O 1 ATOM 4174 C CB . ASN B 1 202 ? -6.086 -40.918 26.912 1.00 49.91 ? 334 ASN C CB 1 ATOM 4175 C CG . ASN B 1 202 ? -6.320 -41.539 28.280 1.00 53.84 ? 334 ASN C CG 1 ATOM 4176 O OD1 . ASN B 1 202 ? -7.214 -42.365 28.456 1.00 47.51 ? 334 ASN C OD1 1 ATOM 4177 N ND2 . ASN B 1 202 ? -5.508 -41.144 29.255 1.00 75.91 ? 334 ASN C ND2 1 ATOM 4178 N N . GLY B 1 203 ? -7.453 -43.934 25.750 1.00 37.77 ? 335 GLY C N 1 ATOM 4179 C CA . GLY B 1 203 ? -8.685 -44.686 25.608 1.00 49.93 ? 335 GLY C CA 1 ATOM 4180 C C . GLY B 1 203 ? -9.712 -44.435 26.689 1.00 50.05 ? 335 GLY C C 1 ATOM 4181 O O . GLY B 1 203 ? -10.914 -44.547 26.439 1.00 45.82 ? 335 GLY C O 1 ATOM 4182 N N . THR B 1 204 ? -9.238 -44.120 27.891 1.00 48.22 ? 336 THR C N 1 ATOM 4183 C CA . THR B 1 204 ? -10.129 -43.852 29.012 1.00 50.57 ? 336 THR C CA 1 ATOM 4184 C C . THR B 1 204 ? -10.858 -42.529 28.851 1.00 45.88 ? 336 THR C C 1 ATOM 4185 O O . THR B 1 204 ? -12.039 -42.414 29.176 1.00 51.14 ? 336 THR C O 1 ATOM 4186 C CB . THR B 1 204 ? -9.388 -43.868 30.352 1.00 56.11 ? 336 THR C CB 1 ATOM 4187 O OG1 . THR B 1 204 ? -8.746 -45.134 30.534 1.00 60.47 ? 336 THR C OG1 1 ATOM 4188 C CG2 . THR B 1 204 ? -10.361 -43.653 31.517 1.00 63.59 ? 336 THR C CG2 1 ATOM 4189 N N . LYS B 1 205 ? -10.182 -41.555 28.265 1.00 43.87 ? 337 LYS C N 1 ATOM 4190 C CA . LYS B 1 205 ? -10.811 -40.271 27.997 1.00 38.06 ? 337 LYS C CA 1 ATOM 4191 C C . LYS B 1 205 ? -11.691 -40.301 26.738 1.00 46.63 ? 337 LYS C C 1 ATOM 4192 O O . LYS B 1 205 ? -12.773 -39.710 26.714 1.00 48.43 ? 337 LYS C O 1 ATOM 4193 C CB . LYS B 1 205 ? -9.750 -39.169 27.889 1.00 42.37 ? 337 LYS C CB 1 ATOM 4194 C CG . LYS B 1 205 ? -8.859 -39.040 29.126 1.00 48.99 ? 337 LYS C CG 1 ATOM 4195 C CD . LYS B 1 205 ? -7.801 -37.960 28.935 1.00 61.26 ? 337 LYS C CD 1 ATOM 4196 C CE . LYS B 1 205 ? -8.438 -36.608 28.663 1.00 76.97 ? 337 LYS C CE 1 ATOM 4197 N NZ . LYS B 1 205 ? -9.312 -36.182 29.790 1.00 87.64 ? 337 LYS C NZ 1 ATOM 4198 N N . TRP B 1 206 ? -11.233 -41.007 25.707 1.00 41.82 ? 338 TRP C N 1 ATOM 4199 C CA . TRP B 1 206 ? -11.884 -40.986 24.392 1.00 40.29 ? 338 TRP C CA 1 ATOM 4200 C C . TRP B 1 206 ? -13.220 -41.737 24.326 1.00 45.63 ? 338 TRP C C 1 ATOM 4201 O O . TRP B 1 206 ? -14.231 -41.162 23.926 1.00 40.10 ? 338 TRP C O 1 ATOM 4202 C CB . TRP B 1 206 ? -10.926 -41.498 23.310 1.00 42.62 ? 338 TRP C CB 1 ATOM 4203 C CG . TRP B 1 206 ? -11.559 -41.591 21.957 1.00 39.25 ? 338 TRP C CG 1 ATOM 4204 C CD1 . TRP B 1 206 ? -11.931 -42.729 21.304 1.00 44.59 ? 338 TRP C CD1 1 ATOM 4205 C CD2 . TRP B 1 206 ? -11.914 -40.499 21.096 1.00 41.72 ? 338 TRP C CD2 1 ATOM 4206 N NE1 . TRP B 1 206 ? -12.488 -42.416 20.087 1.00 46.24 ? 338 TRP C NE1 1 ATOM 4207 C CE2 . TRP B 1 206 ? -12.489 -41.055 19.936 1.00 37.34 ? 338 TRP C CE2 1 ATOM 4208 C CE3 . TRP B 1 206 ? -11.796 -39.109 21.192 1.00 40.52 ? 338 TRP C CE3 1 ATOM 4209 C CZ2 . TRP B 1 206 ? -12.946 -40.268 18.879 1.00 36.92 ? 338 TRP C CZ2 1 ATOM 4210 C CZ3 . TRP B 1 206 ? -12.252 -38.330 20.140 1.00 46.28 ? 338 TRP C CZ3 1 ATOM 4211 C CH2 . TRP B 1 206 ? -12.819 -38.912 19.000 1.00 40.94 ? 338 TRP C CH2 1 ATOM 4212 N N . ASN B 1 207 ? -13.222 -43.014 24.709 1.00 45.46 ? 339 ASN C N 1 ATOM 4213 C CA . ASN B 1 207 ? -14.449 -43.820 24.734 1.00 44.35 ? 339 ASN C CA 1 ATOM 4214 C C . ASN B 1 207 ? -15.509 -43.261 25.691 1.00 47.13 ? 339 ASN C C 1 ATOM 4215 O O . ASN B 1 207 ? -16.694 -43.559 25.548 1.00 54.27 ? 339 ASN C O 1 ATOM 4216 C CB . ASN B 1 207 ? -14.134 -45.267 25.127 1.00 56.55 ? 339 ASN C CB 1 ATOM 4217 C CG . ASN B 1 207 ? -13.291 -45.991 24.093 1.00 54.80 ? 339 ASN C CG 1 ATOM 4218 O OD1 . ASN B 1 207 ? -13.578 -45.945 22.897 1.00 55.15 ? 339 ASN C OD1 1 ATOM 4219 N ND2 . ASN B 1 207 ? -12.247 -46.673 24.552 1.00 58.86 ? 339 ASN C ND2 1 ATOM 4220 N N . LYS B 1 208 ? -15.085 -42.476 26.679 1.00 47.42 ? 340 LYS C N 1 ATOM 4221 C CA . LYS B 1 208 ? -16.036 -41.811 27.568 1.00 49.45 ? 340 LYS C CA 1 ATOM 4222 C C . LYS B 1 208 ? -16.720 -40.680 26.812 1.00 50.72 ? 340 LYS C C 1 ATOM 4223 O O . LYS B 1 208 ? -17.943 -40.544 26.848 1.00 47.37 ? 340 LYS C O 1 ATOM 4224 C CB . LYS B 1 208 ? -15.353 -41.260 28.825 1.00 53.03 ? 340 LYS C CB 1 ATOM 4225 C CG . LYS B 1 208 ? -16.332 -40.630 29.819 1.00 55.56 ? 340 LYS C CG 1 ATOM 4226 C CD . LYS B 1 208 ? -15.629 -39.987 31.010 1.00 62.25 ? 340 LYS C CD 1 ATOM 4227 C CE . LYS B 1 208 ? -16.631 -39.512 32.065 1.00 71.91 ? 340 LYS C CE 1 ATOM 4228 N NZ . LYS B 1 208 ? -17.613 -38.525 31.532 1.00 73.90 ? 340 LYS C NZ 1 ATOM 4229 N N . VAL B 1 209 ? -15.917 -39.875 26.122 1.00 41.21 ? 341 VAL C N 1 ATOM 4230 C CA . VAL B 1 209 ? -16.430 -38.783 25.301 1.00 39.91 ? 341 VAL C CA 1 ATOM 4231 C C . VAL B 1 209 ? -17.298 -39.319 24.169 1.00 45.16 ? 341 VAL C C 1 ATOM 4232 O O . VAL B 1 209 ? -18.394 -38.814 23.919 1.00 47.28 ? 341 VAL C O 1 ATOM 4233 C CB . VAL B 1 209 ? -15.279 -37.944 24.703 1.00 43.36 ? 341 VAL C CB 1 ATOM 4234 C CG1 . VAL B 1 209 ? -15.783 -37.060 23.570 1.00 41.37 ? 341 VAL C CG1 1 ATOM 4235 C CG2 . VAL B 1 209 ? -14.610 -37.109 25.785 1.00 49.85 ? 341 VAL C CG2 1 ATOM 4236 N N . LEU B 1 210 ? -16.804 -40.354 23.498 1.00 41.19 ? 342 LEU C N 1 ATOM 4237 C CA . LEU B 1 210 ? -17.504 -40.942 22.362 1.00 44.44 ? 342 LEU C CA 1 ATOM 4238 C C . LEU B 1 210 ? -18.844 -41.544 22.783 1.00 53.75 ? 342 LEU C C 1 ATOM 4239 O O . LEU B 1 210 ? -19.776 -41.623 21.983 1.00 52.37 ? 342 LEU C O 1 ATOM 4240 C CB . LEU B 1 210 ? -16.624 -41.993 21.682 1.00 51.60 ? 342 LEU C CB 1 ATOM 4241 C CG . LEU B 1 210 ? -17.021 -42.426 20.270 1.00 63.28 ? 342 LEU C CG 1 ATOM 4242 C CD1 . LEU B 1 210 ? -17.289 -41.213 19.396 1.00 61.87 ? 342 LEU C CD1 1 ATOM 4243 C CD2 . LEU B 1 210 ? -15.929 -43.290 19.660 1.00 65.16 ? 342 LEU C CD2 1 ATOM 4244 N N . LYS B 1 211 ? -18.934 -41.963 24.042 1.00 46.30 ? 343 LYS C N 1 ATOM 4245 C CA . LYS B 1 211 ? -20.188 -42.459 24.596 1.00 49.38 ? 343 LYS C CA 1 ATOM 4246 C C . LYS B 1 211 ? -21.180 -41.314 24.774 1.00 59.86 ? 343 LYS C C 1 ATOM 4247 O O . LYS B 1 211 ? -22.373 -41.467 24.511 1.00 55.88 ? 343 LYS C O 1 ATOM 4248 C CB . LYS B 1 211 ? -19.946 -43.164 25.933 1.00 52.87 ? 343 LYS C CB 1 ATOM 4249 C CG . LYS B 1 211 ? -21.211 -43.641 26.629 1.00 58.73 ? 343 LYS C CG 1 ATOM 4250 C CD . LYS B 1 211 ? -21.978 -44.639 25.776 1.00 60.79 ? 343 LYS C CD 1 ATOM 4251 C CE . LYS B 1 211 ? -23.244 -45.105 26.477 1.00 68.50 ? 343 LYS C CE 1 ATOM 4252 N NZ . LYS B 1 211 ? -24.013 -46.084 25.658 1.00 62.63 ? 343 LYS C NZ 1 ATOM 4253 N N . GLN B 1 212 ? -20.678 -40.167 25.221 1.00 50.58 ? 344 GLN C N 1 ATOM 4254 C CA . GLN B 1 212 ? -21.512 -38.984 25.400 1.00 52.66 ? 344 GLN C CA 1 ATOM 4255 C C . GLN B 1 212 ? -22.025 -38.470 24.059 1.00 51.50 ? 344 GLN C C 1 ATOM 4256 O O . GLN B 1 212 ? -23.120 -37.914 23.975 1.00 53.45 ? 344 GLN C O 1 ATOM 4257 C CB . GLN B 1 212 ? -20.740 -37.883 26.133 1.00 50.44 ? 344 GLN C CB 1 ATOM 4258 C CG . GLN B 1 212 ? -20.453 -38.193 27.595 1.00 53.53 ? 344 GLN C CG 1 ATOM 4259 C CD . GLN B 1 212 ? -19.674 -37.090 28.285 1.00 56.74 ? 344 GLN C CD 1 ATOM 4260 O OE1 . GLN B 1 212 ? -18.784 -36.479 27.694 1.00 70.36 ? 344 GLN C OE1 1 ATOM 4261 N NE2 . GLN B 1 212 ? -20.011 -36.825 29.542 1.00 61.84 ? 344 GLN C NE2 1 ATOM 4262 N N . VAL B 1 213 ? -21.227 -38.663 23.014 1.00 48.24 ? 345 VAL C N 1 ATOM 4263 C CA . VAL B 1 213 ? -21.617 -38.270 21.665 1.00 49.50 ? 345 VAL C CA 1 ATOM 4264 C C . VAL B 1 213 ? -22.783 -39.123 21.168 1.00 61.17 ? 345 VAL C C 1 ATOM 4265 O O . VAL B 1 213 ? -23.744 -38.605 20.598 1.00 58.37 ? 345 VAL C O 1 ATOM 4266 C CB . VAL B 1 213 ? -20.436 -38.385 20.679 1.00 42.56 ? 345 VAL C CB 1 ATOM 4267 C CG1 . VAL B 1 213 ? -20.900 -38.134 19.252 1.00 41.94 ? 345 VAL C CG1 1 ATOM 4268 C CG2 . VAL B 1 213 ? -19.329 -37.414 21.062 1.00 40.49 ? 345 VAL C CG2 1 ATOM 4269 N N . THR B 1 214 ? -22.695 -40.430 21.396 1.00 55.86 ? 346 THR C N 1 ATOM 4270 C CA . THR B 1 214 ? -23.748 -41.352 20.984 1.00 56.43 ? 346 THR C CA 1 ATOM 4271 C C . THR B 1 214 ? -25.053 -41.073 21.722 1.00 54.41 ? 346 THR C C 1 ATOM 4272 O O . THR B 1 214 ? -26.133 -41.156 21.140 1.00 56.42 ? 346 THR C O 1 ATOM 4273 C CB . THR B 1 214 ? -23.345 -42.822 21.213 1.00 54.05 ? 346 THR C CB 1 ATOM 4274 O OG1 . THR B 1 214 ? -23.003 -43.018 22.591 1.00 53.68 ? 346 THR C OG1 1 ATOM 4275 C CG2 . THR B 1 214 ? -22.155 -43.189 20.345 1.00 52.71 ? 346 THR C CG2 1 ATOM 4276 N N . GLU B 1 215 ? -24.945 -40.739 23.004 1.00 54.53 ? 347 GLU C N 1 ATOM 4277 C CA . GLU B 1 215 ? -26.117 -40.433 23.817 1.00 57.07 ? 347 GLU C CA 1 ATOM 4278 C C . GLU B 1 215 ? -26.794 -39.145 23.359 1.00 59.40 ? 347 GLU C C 1 ATOM 4279 O O . GLU B 1 215 ? -27.997 -38.965 23.549 1.00 62.04 ? 347 GLU C O 1 ATOM 4280 C CB . GLU B 1 215 ? -25.741 -40.340 25.297 1.00 58.25 ? 347 GLU C CB 1 ATOM 4281 C CG . GLU B 1 215 ? -25.360 -41.673 25.922 1.00 66.59 ? 347 GLU C CG 1 ATOM 4282 C CD . GLU B 1 215 ? -26.518 -42.651 25.959 1.00 79.99 ? 347 GLU C CD 1 ATOM 4283 O OE1 . GLU B 1 215 ? -27.586 -42.292 26.499 1.00 84.74 ? 347 GLU C OE1 1 ATOM 4284 O OE2 . GLU B 1 215 ? -26.363 -43.778 25.443 1.00 87.04 ? 347 GLU C OE2 1 ATOM 4285 N N . LYS B 1 216 ? -26.017 -38.251 22.755 1.00 55.52 ? 348 LYS C N 1 ATOM 4286 C CA . LYS B 1 216 ? -26.567 -37.016 22.213 1.00 54.77 ? 348 LYS C CA 1 ATOM 4287 C C . LYS B 1 216 ? -27.203 -37.279 20.852 1.00 56.38 ? 348 LYS C C 1 ATOM 4288 O O . LYS B 1 216 ? -28.185 -36.637 20.479 1.00 61.62 ? 348 LYS C O 1 ATOM 4289 C CB . LYS B 1 216 ? -25.485 -35.941 22.097 1.00 52.61 ? 348 LYS C CB 1 ATOM 4290 C CG . LYS B 1 216 ? -26.026 -34.560 21.765 1.00 52.27 ? 348 LYS C CG 1 ATOM 4291 C CD . LYS B 1 216 ? -26.961 -34.061 22.857 1.00 51.04 ? 348 LYS C CD 1 ATOM 4292 C CE . LYS B 1 216 ? -27.683 -32.791 22.436 1.00 81.71 ? 348 LYS C CE 1 ATOM 4293 N NZ . LYS B 1 216 ? -26.742 -31.682 22.118 1.00 71.11 ? 348 LYS C NZ 1 ATOM 4294 N N . LEU B 1 217 ? -26.638 -38.231 20.115 1.00 55.10 ? 349 LEU C N 1 ATOM 4295 C CA . LEU B 1 217 ? -27.188 -38.624 18.823 1.00 54.68 ? 349 LEU C CA 1 ATOM 4296 C C . LEU B 1 217 ? -28.508 -39.366 18.998 1.00 63.94 ? 349 LEU C C 1 ATOM 4297 O O . LEU B 1 217 ? -29.365 -39.341 18.116 1.00 67.94 ? 349 LEU C O 1 ATOM 4298 C CB . LEU B 1 217 ? -26.190 -39.486 18.046 1.00 53.02 ? 349 LEU C CB 1 ATOM 4299 C CG . LEU B 1 217 ? -24.970 -38.763 17.469 1.00 58.32 ? 349 LEU C CG 1 ATOM 4300 C CD1 . LEU B 1 217 ? -24.019 -39.749 16.806 1.00 57.32 ? 349 LEU C CD1 1 ATOM 4301 C CD2 . LEU B 1 217 ? -25.402 -37.689 16.483 1.00 49.24 ? 349 LEU C CD2 1 ATOM 4302 N N . LYS B 1 218 ? -28.667 -40.026 20.142 1.00 65.14 ? 350 LYS C N 1 ATOM 4303 C CA . LYS B 1 218 ? -29.911 -40.720 20.452 1.00 67.32 ? 350 LYS C CA 1 ATOM 4304 C C . LYS B 1 218 ? -31.049 -39.729 20.673 1.00 67.93 ? 350 LYS C C 1 ATOM 4305 O O . LYS B 1 218 ? -32.210 -40.036 20.402 1.00 73.10 ? 350 LYS C O 1 ATOM 4306 C CB . LYS B 1 218 ? -29.746 -41.616 21.683 1.00 78.57 ? 350 LYS C CB 1 ATOM 4307 C CG . LYS B 1 218 ? -28.875 -42.841 21.457 1.00 82.69 ? 350 LYS C CG 1 ATOM 4308 C CD . LYS B 1 218 ? -28.840 -43.727 22.694 1.00 88.69 ? 350 LYS C CD 1 ATOM 4309 C CE . LYS B 1 218 ? -27.923 -44.924 22.496 1.00 91.93 ? 350 LYS C CE 1 ATOM 4310 N NZ . LYS B 1 218 ? -28.358 -45.781 21.359 1.00 97.84 ? 350 LYS C NZ 1 ATOM 4311 N N . GLU B 1 219 ? -30.709 -38.541 21.166 1.00 68.51 ? 351 GLU C N 1 ATOM 4312 C CA . GLU B 1 219 ? -31.699 -37.491 21.388 1.00 73.13 ? 351 GLU C CA 1 ATOM 4313 C C . GLU B 1 219 ? -32.347 -37.052 20.079 1.00 69.16 ? 351 GLU C C 1 ATOM 4314 O O . GLU B 1 219 ? -33.554 -36.819 20.021 1.00 71.12 ? 351 GLU C O 1 ATOM 4315 C CB . GLU B 1 219 ? -31.065 -36.277 22.074 1.00 73.43 ? 351 GLU C CB 1 ATOM 4316 C CG . GLU B 1 219 ? -30.690 -36.490 23.531 1.00 78.94 ? 351 GLU C CG 1 ATOM 4317 C CD . GLU B 1 219 ? -30.315 -35.193 24.225 1.00 80.98 ? 351 GLU C CD 1 ATOM 4318 O OE1 . GLU B 1 219 ? -30.616 -34.113 23.672 1.00 82.40 ? 351 GLU C OE1 1 ATOM 4319 O OE2 . GLU B 1 219 ? -29.719 -35.251 25.321 1.00 78.51 ? 351 GLU C OE2 1 ATOM 4320 N N . HIS B 1 220 ? -31.537 -36.943 19.031 1.00 69.25 ? 352 HIS C N 1 ATOM 4321 C CA . HIS B 1 220 ? -32.020 -36.474 17.737 1.00 70.78 ? 352 HIS C CA 1 ATOM 4322 C C . HIS B 1 220 ? -32.634 -37.591 16.898 1.00 72.95 ? 352 HIS C C 1 ATOM 4323 O O . HIS B 1 220 ? -33.438 -37.331 16.003 1.00 75.76 ? 352 HIS C O 1 ATOM 4324 C CB . HIS B 1 220 ? -30.892 -35.796 16.954 1.00 66.04 ? 352 HIS C CB 1 ATOM 4325 C CG . HIS B 1 220 ? -30.441 -34.497 17.545 1.00 65.29 ? 352 HIS C CG 1 ATOM 4326 N ND1 . HIS B 1 220 ? -29.526 -34.423 18.573 1.00 64.23 ? 352 HIS C ND1 1 ATOM 4327 C CD2 . HIS B 1 220 ? -30.781 -33.219 17.252 1.00 63.88 ? 352 HIS C CD2 1 ATOM 4328 C CE1 . HIS B 1 220 ? -29.321 -33.157 18.888 1.00 61.95 ? 352 HIS C CE1 1 ATOM 4329 N NE2 . HIS B 1 220 ? -30.071 -32.406 18.101 1.00 68.37 ? 352 HIS C NE2 1 ATOM 4330 N N . PHE B 1 221 ? -32.257 -38.833 17.188 1.00 69.89 ? 353 PHE C N 1 ATOM 4331 C CA . PHE B 1 221 ? -32.719 -39.963 16.387 1.00 75.56 ? 353 PHE C CA 1 ATOM 4332 C C . PHE B 1 221 ? -33.583 -40.954 17.167 1.00 81.04 ? 353 PHE C C 1 ATOM 4333 O O . PHE B 1 221 ? -33.544 -42.156 16.909 1.00 84.65 ? 353 PHE C O 1 ATOM 4334 C CB . PHE B 1 221 ? -31.534 -40.676 15.728 1.00 74.64 ? 353 PHE C CB 1 ATOM 4335 C CG . PHE B 1 221 ? -30.834 -39.844 14.690 1.00 72.74 ? 353 PHE C CG 1 ATOM 4336 C CD1 . PHE B 1 221 ? -31.274 -39.838 13.377 1.00 70.13 ? 353 PHE C CD1 1 ATOM 4337 C CD2 . PHE B 1 221 ? -29.740 -39.064 15.029 1.00 66.50 ? 353 PHE C CD2 1 ATOM 4338 C CE1 . PHE B 1 221 ? -30.634 -39.072 12.420 1.00 65.36 ? 353 PHE C CE1 1 ATOM 4339 C CE2 . PHE B 1 221 ? -29.097 -38.296 14.076 1.00 66.07 ? 353 PHE C CE2 1 ATOM 4340 C CZ . PHE B 1 221 ? -29.544 -38.300 12.770 1.00 63.39 ? 353 PHE C CZ 1 ATOM 4341 N N . ASN B 1 222 ? -34.355 -40.434 18.117 1.00 86.52 ? 354 ASN C N 1 ATOM 4342 C CA . ASN B 1 222 ? -35.367 -41.211 18.834 1.00 91.98 ? 354 ASN C CA 1 ATOM 4343 C C . ASN B 1 222 ? -34.863 -42.488 19.509 1.00 90.02 ? 354 ASN C C 1 ATOM 4344 O O . ASN B 1 222 ? -35.449 -43.558 19.337 1.00 89.18 ? 354 ASN C O 1 ATOM 4345 C CB . ASN B 1 222 ? -36.542 -41.539 17.908 1.00 103.85 ? 354 ASN C CB 1 ATOM 4346 C CG . ASN B 1 222 ? -37.154 -40.301 17.282 1.00 110.32 ? 354 ASN C CG 1 ATOM 4347 O OD1 . ASN B 1 222 ? -37.988 -39.631 17.890 1.00 114.52 ? 354 ASN C OD1 1 ATOM 4348 N ND2 . ASN B 1 222 ? -36.741 -39.991 16.058 1.00 107.43 ? 354 ASN C ND2 1 ATOM 4349 N N . ASN B 1 223 ? -33.780 -42.365 20.272 1.00 90.18 ? 355 ASN C N 1 ATOM 4350 C CA . ASN B 1 223 ? -33.234 -43.475 21.056 1.00 95.85 ? 355 ASN C CA 1 ATOM 4351 C C . ASN B 1 223 ? -32.885 -44.726 20.248 1.00 88.39 ? 355 ASN C C 1 ATOM 4352 O O . ASN B 1 223 ? -32.858 -45.831 20.789 1.00 86.62 ? 355 ASN C O 1 ATOM 4353 C CB . ASN B 1 223 ? -34.184 -43.848 22.199 1.00 110.49 ? 355 ASN C CB 1 ATOM 4354 C CG . ASN B 1 223 ? -34.445 -42.692 23.143 1.00 122.47 ? 355 ASN C CG 1 ATOM 4355 O OD1 . ASN B 1 223 ? -33.551 -41.896 23.434 1.00 112.74 ? 355 ASN C OD1 1 ATOM 4356 N ND2 . ASN B 1 223 ? -35.681 -42.592 23.624 1.00 145.38 ? 355 ASN C ND2 1 ATOM 4357 N N . LYS B 1 224 ? -32.621 -44.552 18.957 1.00 83.69 ? 357 LYS C N 1 ATOM 4358 C CA . LYS B 1 224 ? -32.249 -45.676 18.105 1.00 82.10 ? 357 LYS C CA 1 ATOM 4359 C C . LYS B 1 224 ? -30.798 -46.084 18.335 1.00 81.17 ? 357 LYS C C 1 ATOM 4360 O O . LYS B 1 224 ? -30.023 -45.341 18.937 1.00 75.22 ? 357 LYS C O 1 ATOM 4361 C CB . LYS B 1 224 ? -32.482 -45.341 16.630 1.00 76.31 ? 357 LYS C CB 1 ATOM 4362 C CG . LYS B 1 224 ? -33.949 -45.250 16.240 1.00 80.07 ? 357 LYS C CG 1 ATOM 4363 C CD . LYS B 1 224 ? -34.111 -44.884 14.774 1.00 86.04 ? 357 LYS C CD 1 ATOM 4364 C CE . LYS B 1 224 ? -33.484 -45.933 13.870 1.00 89.51 ? 357 LYS C CE 1 ATOM 4365 N NZ . LYS B 1 224 ? -33.631 -45.584 12.430 1.00 91.69 ? 357 LYS C NZ 1 ATOM 4366 N N . THR B 1 225 ? -30.438 -47.271 17.856 1.00 84.98 ? 358 THR C N 1 ATOM 4367 C CA . THR B 1 225 ? -29.088 -47.794 18.034 1.00 79.97 ? 358 THR C CA 1 ATOM 4368 C C . THR B 1 225 ? -28.077 -47.050 17.166 1.00 68.40 ? 358 THR C C 1 ATOM 4369 O O . THR B 1 225 ? -28.216 -46.994 15.944 1.00 68.36 ? 358 THR C O 1 ATOM 4370 C CB . THR B 1 225 ? -29.021 -49.300 17.713 1.00 78.89 ? 358 THR C CB 1 ATOM 4371 O OG1 . THR B 1 225 ? -29.887 -50.018 18.601 1.00 83.58 ? 358 THR C OG1 1 ATOM 4372 C CG2 . THR B 1 225 ? -27.600 -49.816 17.872 1.00 72.61 ? 358 THR C CG2 1 ATOM 4373 N N . ILE B 1 226 ? -27.060 -46.483 17.807 1.00 71.28 ? 359 ILE C N 1 ATOM 4374 C CA . ILE B 1 226 ? -26.021 -45.739 17.104 1.00 63.29 ? 359 ILE C CA 1 ATOM 4375 C C . ILE B 1 226 ? -24.788 -46.608 16.872 1.00 65.71 ? 359 ILE C C 1 ATOM 4376 O O . ILE B 1 226 ? -24.185 -47.110 17.820 1.00 70.65 ? 359 ILE C O 1 ATOM 4377 C CB . ILE B 1 226 ? -25.608 -44.477 17.885 1.00 59.96 ? 359 ILE C CB 1 ATOM 4378 C CG1 . ILE B 1 226 ? -26.836 -43.622 18.207 1.00 65.35 ? 359 ILE C CG1 1 ATOM 4379 C CG2 . ILE B 1 226 ? -24.578 -43.676 17.103 1.00 55.23 ? 359 ILE C CG2 1 ATOM 4380 C CD1 . ILE B 1 226 ? -27.606 -43.172 16.985 1.00 69.30 ? 359 ILE C CD1 1 ATOM 4381 N N . ILE B 1 227 ? -24.419 -46.782 15.606 1.00 59.57 ? 360 ILE C N 1 ATOM 4382 C CA . ILE B 1 227 ? -23.296 -47.641 15.243 1.00 59.80 ? 360 ILE C CA 1 ATOM 4383 C C . ILE B 1 227 ? -22.278 -46.901 14.377 1.00 58.74 ? 360 ILE C C 1 ATOM 4384 O O . ILE B 1 227 ? -22.648 -46.211 13.427 1.00 57.40 ? 360 ILE C O 1 ATOM 4385 C CB . ILE B 1 227 ? -23.776 -48.893 14.481 1.00 62.12 ? 360 ILE C CB 1 ATOM 4386 C CG1 . ILE B 1 227 ? -24.871 -49.615 15.269 1.00 67.90 ? 360 ILE C CG1 1 ATOM 4387 C CG2 . ILE B 1 227 ? -22.611 -49.830 14.195 1.00 64.64 ? 360 ILE C CG2 1 ATOM 4388 C CD1 . ILE B 1 227 ? -25.461 -50.807 14.547 1.00 70.96 ? 360 ILE C CD1 1 ATOM 4389 N N . PHE B 1 228 ? -20.998 -47.047 14.708 1.00 53.30 ? 361 PHE C N 1 ATOM 4390 C CA . PHE B 1 228 ? -19.930 -46.450 13.913 1.00 50.36 ? 361 PHE C CA 1 ATOM 4391 C C . PHE B 1 228 ? -19.312 -47.458 12.949 1.00 50.95 ? 361 PHE C C 1 ATOM 4392 O O . PHE B 1 228 ? -19.128 -48.627 13.289 1.00 52.67 ? 361 PHE C O 1 ATOM 4393 C CB . PHE B 1 228 ? -18.840 -45.861 14.812 1.00 51.65 ? 361 PHE C CB 1 ATOM 4394 C CG . PHE B 1 228 ? -19.264 -44.628 15.553 1.00 48.32 ? 361 PHE C CG 1 ATOM 4395 C CD1 . PHE B 1 228 ? -19.310 -43.401 14.912 1.00 52.78 ? 361 PHE C CD1 1 ATOM 4396 C CD2 . PHE B 1 228 ? -19.609 -44.693 16.892 1.00 58.79 ? 361 PHE C CD2 1 ATOM 4397 C CE1 . PHE B 1 228 ? -19.699 -42.263 15.592 1.00 53.26 ? 361 PHE C CE1 1 ATOM 4398 C CE2 . PHE B 1 228 ? -19.997 -43.559 17.577 1.00 60.38 ? 361 PHE C CE2 1 ATOM 4399 C CZ . PHE B 1 228 ? -20.043 -42.342 16.926 1.00 57.62 ? 361 PHE C CZ 1 ATOM 4400 N N . GLN B 1 229 ? -18.996 -46.993 11.746 1.00 49.67 ? 362 GLN C N 1 ATOM 4401 C CA . GLN B 1 229 ? -18.349 -47.821 10.735 1.00 57.64 ? 362 GLN C CA 1 ATOM 4402 C C . GLN B 1 229 ? -17.297 -46.999 10.000 1.00 50.81 ? 362 GLN C C 1 ATOM 4403 O O . GLN B 1 229 ? -17.428 -45.781 9.887 1.00 49.48 ? 362 GLN C O 1 ATOM 4404 C CB . GLN B 1 229 ? -19.382 -48.361 9.740 1.00 58.67 ? 362 GLN C CB 1 ATOM 4405 C CG . GLN B 1 229 ? -20.354 -49.375 10.325 1.00 60.14 ? 362 GLN C CG 1 ATOM 4406 C CD . GLN B 1 229 ? -19.687 -50.686 10.690 1.00 69.32 ? 362 GLN C CD 1 ATOM 4407 O OE1 . GLN B 1 229 ? -18.693 -51.081 10.081 1.00 72.77 ? 362 GLN C OE1 1 ATOM 4408 N NE2 . GLN B 1 229 ? -20.233 -51.367 11.690 1.00 73.36 ? 362 GLN C NE2 1 ATOM 4409 N N . PRO B 1 230 ? -16.240 -47.661 9.504 1.00 53.30 ? 363 PRO C N 1 ATOM 4410 C CA . PRO B 1 230 ? -15.219 -46.968 8.709 1.00 46.19 ? 363 PRO C CA 1 ATOM 4411 C C . PRO B 1 230 ? -15.804 -46.443 7.399 1.00 51.43 ? 363 PRO C C 1 ATOM 4412 O O . PRO B 1 230 ? -16.842 -46.944 6.964 1.00 47.66 ? 363 PRO C O 1 ATOM 4413 C CB . PRO B 1 230 ? -14.187 -48.069 8.433 1.00 45.80 ? 363 PRO C CB 1 ATOM 4414 C CG . PRO B 1 230 ? -14.933 -49.349 8.595 1.00 60.26 ? 363 PRO C CG 1 ATOM 4415 C CD . PRO B 1 230 ? -15.923 -49.088 9.685 1.00 59.55 ? 363 PRO C CD 1 ATOM 4416 N N . PRO B 1 231 ? -15.157 -45.436 6.789 1.00 45.60 ? 364 PRO C N 1 ATOM 4417 C CA . PRO B 1 231 ? -15.605 -44.868 5.511 1.00 50.80 ? 364 PRO C CA 1 ATOM 4418 C C . PRO B 1 231 ? -15.796 -45.940 4.441 1.00 54.83 ? 364 PRO C C 1 ATOM 4419 O O . PRO B 1 231 ? -14.989 -46.865 4.347 1.00 56.34 ? 364 PRO C O 1 ATOM 4420 C CB . PRO B 1 231 ? -14.455 -43.937 5.127 1.00 45.74 ? 364 PRO C CB 1 ATOM 4421 C CG . PRO B 1 231 ? -13.872 -43.520 6.430 1.00 47.59 ? 364 PRO C CG 1 ATOM 4422 C CD . PRO B 1 231 ? -13.982 -44.724 7.324 1.00 48.45 ? 364 PRO C CD 1 ATOM 4423 N N . SER B 1 232 ? -16.855 -45.810 3.648 1.00 60.21 ? 365 SER C N 1 ATOM 4424 C CA . SER B 1 232 ? -17.194 -46.817 2.646 1.00 69.79 ? 365 SER C CA 1 ATOM 4425 C C . SER B 1 232 ? -16.194 -46.848 1.492 1.00 68.01 ? 365 SER C C 1 ATOM 4426 O O . SER B 1 232 ? -15.945 -47.902 0.907 1.00 70.32 ? 365 SER C O 1 ATOM 4427 C CB . SER B 1 232 ? -18.609 -46.587 2.110 1.00 69.21 ? 365 SER C CB 1 ATOM 4428 O OG . SER B 1 232 ? -18.722 -45.318 1.491 1.00 70.53 ? 365 SER C OG 1 ATOM 4429 N N . GLY B 1 233 ? -15.627 -45.691 1.168 1.00 61.63 ? 366 GLY C N 1 ATOM 4430 C CA . GLY B 1 233 ? -14.661 -45.597 0.089 1.00 57.19 ? 366 GLY C CA 1 ATOM 4431 C C . GLY B 1 233 ? -14.295 -44.166 -0.254 1.00 58.58 ? 366 GLY C C 1 ATOM 4432 O O . GLY B 1 233 ? -14.839 -43.221 0.318 1.00 61.31 ? 366 GLY C O 1 ATOM 4433 N N . GLY B 1 234 ? -13.369 -44.008 -1.194 1.00 50.93 ? 367 GLY C N 1 ATOM 4434 C CA . GLY B 1 234 ? -12.920 -42.693 -1.615 1.00 48.22 ? 367 GLY C CA 1 ATOM 4435 C C . GLY B 1 234 ? -11.411 -42.560 -1.559 1.00 43.96 ? 367 GLY C C 1 ATOM 4436 O O . GLY B 1 234 ? -10.702 -43.542 -1.342 1.00 47.64 ? 367 GLY C O 1 ATOM 4437 N N . ASP B 1 235 ? -10.919 -41.340 -1.755 1.00 41.76 ? 368 ASP C N 1 ATOM 4438 C CA . ASP B 1 235 ? -9.486 -41.076 -1.706 1.00 44.52 ? 368 ASP C CA 1 ATOM 4439 C C . ASP B 1 235 ? -8.940 -41.301 -0.298 1.00 37.22 ? 368 ASP C C 1 ATOM 4440 O O . ASP B 1 235 ? -9.698 -41.315 0.672 1.00 39.13 ? 368 ASP C O 1 ATOM 4441 C CB . ASP B 1 235 ? -9.187 -39.649 -2.170 1.00 45.23 ? 368 ASP C CB 1 ATOM 4442 C CG . ASP B 1 235 ? -9.665 -39.384 -3.586 1.00 56.14 ? 368 ASP C CG 1 ATOM 4443 O OD1 . ASP B 1 235 ? -9.780 -40.352 -4.367 1.00 56.69 ? 368 ASP C OD1 1 ATOM 4444 O OD2 . ASP B 1 235 ? -9.922 -38.207 -3.919 1.00 56.99 ? 368 ASP C OD2 1 ATOM 4445 N N . LEU B 1 236 ? -7.625 -41.478 -0.194 1.00 36.66 ? 369 LEU C N 1 ATOM 4446 C CA . LEU B 1 236 ? -6.978 -41.721 1.094 1.00 34.78 ? 369 LEU C CA 1 ATOM 4447 C C . LEU B 1 236 ? -7.139 -40.547 2.053 1.00 34.80 ? 369 LEU C C 1 ATOM 4448 O O . LEU B 1 236 ? -7.141 -40.727 3.270 1.00 35.16 ? 369 LEU C O 1 ATOM 4449 C CB . LEU B 1 236 ? -5.493 -42.042 0.907 1.00 31.70 ? 369 LEU C CB 1 ATOM 4450 C CG . LEU B 1 236 ? -5.159 -43.413 0.317 1.00 34.56 ? 369 LEU C CG 1 ATOM 4451 C CD1 . LEU B 1 236 ? -3.654 -43.628 0.280 1.00 38.49 ? 369 LEU C CD1 1 ATOM 4452 C CD2 . LEU B 1 236 ? -5.841 -44.518 1.109 1.00 42.02 ? 369 LEU C CD2 1 ATOM 4453 N N . GLU B 1 237 ? -7.272 -39.346 1.500 1.00 30.99 ? 370 GLU C N 1 ATOM 4454 C CA . GLU B 1 237 ? -7.461 -38.151 2.313 1.00 35.41 ? 370 GLU C CA 1 ATOM 4455 C C . GLU B 1 237 ? -8.798 -38.199 3.046 1.00 41.62 ? 370 GLU C C 1 ATOM 4456 O O . GLU B 1 237 ? -8.961 -37.587 4.102 1.00 37.28 ? 370 GLU C O 1 ATOM 4457 C CB . GLU B 1 237 ? -7.376 -36.886 1.453 1.00 33.46 ? 370 GLU C CB 1 ATOM 4458 C CG . GLU B 1 237 ? -5.990 -36.595 0.890 1.00 36.71 ? 370 GLU C CG 1 ATOM 4459 C CD . GLU B 1 237 ? -5.642 -37.459 -0.308 1.00 38.55 ? 370 GLU C CD 1 ATOM 4460 O OE1 . GLU B 1 237 ? -6.572 -37.943 -0.989 1.00 33.23 ? 370 GLU C OE1 1 ATOM 4461 O OE2 . GLU B 1 237 ? -4.436 -37.652 -0.569 1.00 34.09 ? 370 GLU C OE2 1 ATOM 4462 N N . ILE B 1 238 ? -9.746 -38.942 2.482 1.00 40.30 ? 371 ILE C N 1 ATOM 4463 C CA . ILE B 1 238 ? -11.091 -39.043 3.038 1.00 47.97 ? 371 ILE C CA 1 ATOM 4464 C C . ILE B 1 238 ? -11.242 -40.256 3.952 1.00 48.59 ? 371 ILE C C 1 ATOM 4465 O O . ILE B 1 238 ? -11.792 -40.154 5.048 1.00 42.57 ? 371 ILE C O 1 ATOM 4466 C CB . ILE B 1 238 ? -12.147 -39.143 1.919 1.00 54.90 ? 371 ILE C CB 1 ATOM 4467 C CG1 . ILE B 1 238 ? -11.926 -38.046 0.876 1.00 62.14 ? 371 ILE C CG1 1 ATOM 4468 C CG2 . ILE B 1 238 ? -13.552 -39.073 2.499 1.00 60.66 ? 371 ILE C CG2 1 ATOM 4469 C CD1 . ILE B 1 238 ? -11.953 -36.650 1.447 1.00 59.93 ? 371 ILE C CD1 1 ATOM 4470 N N . THR B 1 239 ? -10.752 -41.403 3.493 1.00 33.42 ? 372 THR C N 1 ATOM 4471 C CA . THR B 1 239 ? -10.897 -42.653 4.231 1.00 34.71 ? 372 THR C CA 1 ATOM 4472 C C . THR B 1 239 ? -10.001 -42.690 5.465 1.00 42.29 ? 372 THR C C 1 ATOM 4473 O O . THR B 1 239 ? -10.205 -43.500 6.368 1.00 40.78 ? 372 THR C O 1 ATOM 4474 C CB . THR B 1 239 ? -10.585 -43.869 3.341 1.00 39.98 ? 372 THR C CB 1 ATOM 4475 O OG1 . THR B 1 239 ? -9.225 -43.800 2.896 1.00 35.63 ? 372 THR C OG1 1 ATOM 4476 C CG2 . THR B 1 239 ? -11.508 -43.893 2.132 1.00 38.24 ? 372 THR C CG2 1 ATOM 4477 N N . MET B 1 240 ? -9.009 -41.809 5.496 1.00 32.23 ? 373 MET C N 1 ATOM 4478 C CA . MET B 1 240 ? -8.109 -41.715 6.637 1.00 34.85 ? 373 MET C CA 1 ATOM 4479 C C . MET B 1 240 ? -8.129 -40.309 7.218 1.00 36.01 ? 373 MET C C 1 ATOM 4480 O O . MET B 1 240 ? -8.520 -39.355 6.546 1.00 34.04 ? 373 MET C O 1 ATOM 4481 C CB . MET B 1 240 ? -6.682 -42.081 6.227 1.00 34.59 ? 373 MET C CB 1 ATOM 4482 C CG . MET B 1 240 ? -6.560 -43.406 5.494 1.00 45.05 ? 373 MET C CG 1 ATOM 4483 S SD . MET B 1 240 ? -4.853 -43.815 5.081 1.00 46.46 ? 373 MET C SD 1 ATOM 4484 C CE . MET B 1 240 ? -4.200 -44.233 6.696 1.00 38.54 ? 373 MET C CE 1 ATOM 4485 N N . HIS B 1 241 ? -7.712 -40.188 8.474 1.00 30.89 ? 374 HIS C N 1 ATOM 4486 C CA . HIS B 1 241 ? -7.527 -38.886 9.099 1.00 28.03 ? 374 HIS C CA 1 ATOM 4487 C C . HIS B 1 241 ? -6.257 -38.265 8.541 1.00 26.50 ? 374 HIS C C 1 ATOM 4488 O O . HIS B 1 241 ? -5.151 -38.685 8.882 1.00 30.29 ? 374 HIS C O 1 ATOM 4489 C CB . HIS B 1 241 ? -7.427 -39.041 10.617 1.00 28.71 ? 374 HIS C CB 1 ATOM 4490 C CG . HIS B 1 241 ? -6.982 -37.802 11.332 1.00 27.15 ? 374 HIS C CG 1 ATOM 4491 N ND1 . HIS B 1 241 ? -7.513 -36.557 11.072 1.00 24.92 ? 374 HIS C ND1 1 ATOM 4492 C CD2 . HIS B 1 241 ? -6.066 -37.623 12.314 1.00 24.82 ? 374 HIS C CD2 1 ATOM 4493 C CE1 . HIS B 1 241 ? -6.935 -35.662 11.854 1.00 28.13 ? 374 HIS C CE1 1 ATOM 4494 N NE2 . HIS B 1 241 ? -6.055 -36.283 12.619 1.00 24.81 ? 374 HIS C NE2 1 ATOM 4495 N N . SER B 1 242 ? -6.418 -37.278 7.667 1.00 27.03 ? 375 SER C N 1 ATOM 4496 C CA . SER B 1 242 ? -5.276 -36.638 7.029 1.00 23.76 ? 375 SER C CA 1 ATOM 4497 C C . SER B 1 242 ? -5.086 -35.222 7.552 1.00 28.38 ? 375 SER C C 1 ATOM 4498 O O . SER B 1 242 ? -6.052 -34.496 7.771 1.00 28.17 ? 375 SER C O 1 ATOM 4499 C CB . SER B 1 242 ? -5.430 -36.633 5.505 1.00 27.71 ? 375 SER C CB 1 ATOM 4500 O OG . SER B 1 242 ? -6.510 -35.813 5.093 1.00 32.32 ? 375 SER C OG 1 ATOM 4501 N N . PHE B 1 243 ? -3.830 -34.842 7.754 1.00 26.18 ? 376 PHE C N 1 ATOM 4502 C CA . PHE B 1 243 ? -3.492 -33.530 8.285 1.00 30.91 ? 376 PHE C CA 1 ATOM 4503 C C . PHE B 1 243 ? -2.031 -33.225 7.993 1.00 31.05 ? 376 PHE C C 1 ATOM 4504 O O . PHE B 1 243 ? -1.280 -34.100 7.564 1.00 28.06 ? 376 PHE C O 1 ATOM 4505 C CB . PHE B 1 243 ? -3.752 -33.475 9.794 1.00 27.45 ? 376 PHE C CB 1 ATOM 4506 C CG . PHE B 1 243 ? -2.985 -34.502 10.580 1.00 28.93 ? 376 PHE C CG 1 ATOM 4507 C CD1 . PHE B 1 243 ? -3.463 -35.796 10.707 1.00 26.68 ? 376 PHE C CD1 1 ATOM 4508 C CD2 . PHE B 1 243 ? -1.790 -34.171 11.198 1.00 29.36 ? 376 PHE C CD2 1 ATOM 4509 C CE1 . PHE B 1 243 ? -2.761 -36.743 11.430 1.00 25.22 ? 376 PHE C CE1 1 ATOM 4510 C CE2 . PHE B 1 243 ? -1.085 -35.113 11.923 1.00 24.19 ? 376 PHE C CE2 1 ATOM 4511 C CZ . PHE B 1 243 ? -1.571 -36.400 12.038 1.00 23.42 ? 376 PHE C CZ 1 ATOM 4512 N N . ASN B 1 244 ? -1.628 -31.982 8.229 1.00 26.63 ? 377 ASN C N 1 ATOM 4513 C CA . ASN B 1 244 ? -0.247 -31.587 7.996 1.00 23.70 ? 377 ASN C CA 1 ATOM 4514 C C . ASN B 1 244 ? 0.493 -31.304 9.299 1.00 24.88 ? 377 ASN C C 1 ATOM 4515 O O . ASN B 1 244 ? 0.068 -30.471 10.100 1.00 27.12 ? 377 ASN C O 1 ATOM 4516 C CB . ASN B 1 244 ? -0.177 -30.375 7.068 1.00 24.98 ? 377 ASN C CB 1 ATOM 4517 C CG . ASN B 1 244 ? 1.234 -30.088 6.601 1.00 27.16 ? 377 ASN C CG 1 ATOM 4518 O OD1 . ASN B 1 244 ? 2.080 -29.659 7.382 1.00 25.43 ? 377 ASN C OD1 1 ATOM 4519 N ND2 . ASN B 1 244 ? 1.496 -30.326 5.320 1.00 32.46 ? 377 ASN C ND2 1 ATOM 4520 N N . CYS B 1 245 ? 1.605 -32.004 9.497 1.00 19.31 ? 378 CYS C N 1 ATOM 4521 C CA . CYS B 1 245 ? 2.400 -31.872 10.712 1.00 27.32 ? 378 CYS C CA 1 ATOM 4522 C C . CYS B 1 245 ? 3.838 -31.491 10.371 1.00 23.21 ? 378 CYS C C 1 ATOM 4523 O O . CYS B 1 245 ? 4.570 -32.277 9.769 1.00 24.02 ? 378 CYS C O 1 ATOM 4524 C CB . CYS B 1 245 ? 2.369 -33.183 11.504 1.00 26.74 ? 378 CYS C CB 1 ATOM 4525 S SG . CYS B 1 245 ? 3.410 -33.219 12.990 1.00 34.79 ? 378 CYS C SG 1 ATOM 4526 N N . ARG B 1 246 ? 4.227 -30.278 10.758 1.00 27.36 ? 379 ARG C N 1 ATOM 4527 C CA . ARG B 1 246 ? 5.564 -29.742 10.493 1.00 25.97 ? 379 ARG C CA 1 ATOM 4528 C C . ARG B 1 246 ? 5.913 -29.741 9.004 1.00 27.37 ? 379 ARG C C 1 ATOM 4529 O O . ARG B 1 246 ? 7.072 -29.925 8.633 1.00 29.69 ? 379 ARG C O 1 ATOM 4530 C CB . ARG B 1 246 ? 6.636 -30.507 11.281 1.00 28.29 ? 379 ARG C CB 1 ATOM 4531 C CG . ARG B 1 246 ? 6.261 -30.835 12.719 1.00 26.21 ? 379 ARG C CG 1 ATOM 4532 C CD . ARG B 1 246 ? 5.935 -29.590 13.527 1.00 25.75 ? 379 ARG C CD 1 ATOM 4533 N NE . ARG B 1 246 ? 5.402 -29.938 14.841 1.00 27.95 ? 379 ARG C NE 1 ATOM 4534 C CZ . ARG B 1 246 ? 4.813 -29.075 15.662 1.00 23.15 ? 379 ARG C CZ 1 ATOM 4535 N NH1 . ARG B 1 246 ? 4.677 -27.805 15.307 1.00 30.66 ? 379 ARG C NH1 1 ATOM 4536 N NH2 . ARG B 1 246 ? 4.355 -29.485 16.836 1.00 29.50 ? 379 ARG C NH2 1 ATOM 4537 N N . GLY B 1 247 ? 4.910 -29.535 8.156 1.00 22.34 ? 380 GLY C N 1 ATOM 4538 C CA . GLY B 1 247 ? 5.124 -29.513 6.721 1.00 22.18 ? 380 GLY C CA 1 ATOM 4539 C C . GLY B 1 247 ? 4.912 -30.863 6.059 1.00 25.61 ? 380 GLY C C 1 ATOM 4540 O O . GLY B 1 247 ? 4.860 -30.959 4.834 1.00 24.95 ? 380 GLY C O 1 ATOM 4541 N N . GLU B 1 248 ? 4.785 -31.908 6.873 1.00 22.99 ? 381 GLU C N 1 ATOM 4542 C CA . GLU B 1 248 ? 4.638 -33.271 6.365 1.00 23.45 ? 381 GLU C CA 1 ATOM 4543 C C . GLU B 1 248 ? 3.174 -33.699 6.327 1.00 21.57 ? 381 GLU C C 1 ATOM 4544 O O . GLU B 1 248 ? 2.396 -33.349 7.214 1.00 24.80 ? 381 GLU C O 1 ATOM 4545 C CB . GLU B 1 248 ? 5.437 -34.247 7.233 1.00 29.65 ? 381 GLU C CB 1 ATOM 4546 C CG . GLU B 1 248 ? 6.898 -33.866 7.422 1.00 28.89 ? 381 GLU C CG 1 ATOM 4547 C CD . GLU B 1 248 ? 7.720 -34.042 6.160 1.00 35.99 ? 381 GLU C CD 1 ATOM 4548 O OE1 . GLU B 1 248 ? 7.319 -34.847 5.295 1.00 37.36 ? 381 GLU C OE1 1 ATOM 4549 O OE2 . GLU B 1 248 ? 8.768 -33.374 6.034 1.00 32.47 ? 381 GLU C OE2 1 ATOM 4550 N N . PHE B 1 249 ? 2.805 -34.467 5.306 1.00 21.46 ? 382 PHE C N 1 ATOM 4551 C CA . PHE B 1 249 ? 1.420 -34.906 5.146 1.00 24.71 ? 382 PHE C CA 1 ATOM 4552 C C . PHE B 1 249 ? 1.159 -36.273 5.773 1.00 24.04 ? 382 PHE C C 1 ATOM 4553 O O . PHE B 1 249 ? 1.563 -37.304 5.236 1.00 28.54 ? 382 PHE C O 1 ATOM 4554 C CB . PHE B 1 249 ? 1.019 -34.900 3.670 1.00 24.46 ? 382 PHE C CB 1 ATOM 4555 C CG . PHE B 1 249 ? 0.958 -33.526 3.074 1.00 27.41 ? 382 PHE C CG 1 ATOM 4556 C CD1 . PHE B 1 249 ? 2.086 -32.948 2.514 1.00 21.97 ? 382 PHE C CD1 1 ATOM 4557 C CD2 . PHE B 1 249 ? -0.223 -32.803 3.091 1.00 31.62 ? 382 PHE C CD2 1 ATOM 4558 C CE1 . PHE B 1 249 ? 2.033 -31.677 1.972 1.00 28.46 ? 382 PHE C CE1 1 ATOM 4559 C CE2 . PHE B 1 249 ? -0.281 -31.532 2.553 1.00 29.66 ? 382 PHE C CE2 1 ATOM 4560 C CZ . PHE B 1 249 ? 0.848 -30.971 1.992 1.00 27.14 ? 382 PHE C CZ 1 ATOM 4561 N N . PHE B 1 250 ? 0.476 -36.265 6.913 1.00 24.49 ? 383 PHE C N 1 ATOM 4562 C CA . PHE B 1 250 ? 0.159 -37.487 7.641 1.00 22.03 ? 383 PHE C CA 1 ATOM 4563 C C . PHE B 1 250 ? -1.176 -38.079 7.203 1.00 24.89 ? 383 PHE C C 1 ATOM 4564 O O . PHE B 1 250 ? -2.130 -37.353 6.921 1.00 26.97 ? 383 PHE C O 1 ATOM 4565 C CB . PHE B 1 250 ? 0.132 -37.218 9.148 1.00 22.57 ? 383 PHE C CB 1 ATOM 4566 C CG . PHE B 1 250 ? 1.493 -37.155 9.783 1.00 25.89 ? 383 PHE C CG 1 ATOM 4567 C CD1 . PHE B 1 250 ? 2.383 -36.145 9.454 1.00 30.86 ? 383 PHE C CD1 1 ATOM 4568 C CD2 . PHE B 1 250 ? 1.875 -38.096 10.723 1.00 29.73 ? 383 PHE C CD2 1 ATOM 4569 C CE1 . PHE B 1 250 ? 3.634 -36.086 10.042 1.00 33.85 ? 383 PHE C CE1 1 ATOM 4570 C CE2 . PHE B 1 250 ? 3.122 -38.040 11.316 1.00 33.09 ? 383 PHE C CE2 1 ATOM 4571 C CZ . PHE B 1 250 ? 4.002 -37.033 10.975 1.00 30.88 ? 383 PHE C CZ 1 ATOM 4572 N N . TYR B 1 251 ? -1.227 -39.406 7.145 1.00 26.29 ? 384 TYR C N 1 ATOM 4573 C CA . TYR B 1 251 ? -2.450 -40.139 6.845 1.00 26.79 ? 384 TYR C CA 1 ATOM 4574 C C . TYR B 1 251 ? -2.623 -41.217 7.909 1.00 26.09 ? 384 TYR C C 1 ATOM 4575 O O . TYR B 1 251 ? -1.814 -42.140 7.995 1.00 31.37 ? 384 TYR C O 1 ATOM 4576 C CB . TYR B 1 251 ? -2.365 -40.787 5.460 1.00 30.28 ? 384 TYR C CB 1 ATOM 4577 C CG . TYR B 1 251 ? -2.449 -39.819 4.297 1.00 29.60 ? 384 TYR C CG 1 ATOM 4578 C CD1 . TYR B 1 251 ? -1.404 -38.949 4.013 1.00 32.83 ? 384 TYR C CD1 1 ATOM 4579 C CD2 . TYR B 1 251 ? -3.564 -39.795 3.469 1.00 33.26 ? 384 TYR C CD2 1 ATOM 4580 C CE1 . TYR B 1 251 ? -1.475 -38.068 2.949 1.00 30.97 ? 384 TYR C CE1 1 ATOM 4581 C CE2 . TYR B 1 251 ? -3.644 -38.920 2.400 1.00 31.29 ? 384 TYR C CE2 1 ATOM 4582 C CZ . TYR B 1 251 ? -2.596 -38.059 2.146 1.00 33.57 ? 384 TYR C CZ 1 ATOM 4583 O OH . TYR B 1 251 ? -2.668 -37.186 1.086 1.00 28.27 ? 384 TYR C OH 1 ATOM 4584 N N . CYS B 1 252 ? -3.668 -41.103 8.722 1.00 26.32 ? 385 CYS C N 1 ATOM 4585 C CA . CYS B 1 252 ? -3.841 -42.013 9.853 1.00 30.86 ? 385 CYS C CA 1 ATOM 4586 C C . CYS B 1 252 ? -5.140 -42.816 9.807 1.00 32.36 ? 385 CYS C C 1 ATOM 4587 O O . CYS B 1 252 ? -6.206 -42.284 9.501 1.00 32.64 ? 385 CYS C O 1 ATOM 4588 C CB . CYS B 1 252 ? -3.737 -41.246 11.174 1.00 34.63 ? 385 CYS C CB 1 ATOM 4589 S SG . CYS B 1 252 ? -2.161 -40.386 11.402 1.00 38.47 ? 385 CYS C SG 1 ATOM 4590 N N . ASN B 1 253 ? -5.030 -44.103 10.125 1.00 34.73 ? 386 ASN C N 1 ATOM 4591 C CA . ASN B 1 253 ? -6.168 -45.017 10.132 1.00 37.57 ? 386 ASN C CA 1 ATOM 4592 C C . ASN B 1 253 ? -6.956 -44.909 11.436 1.00 34.41 ? 386 ASN C C 1 ATOM 4593 O O . ASN B 1 253 ? -6.423 -45.171 12.514 1.00 37.81 ? 386 ASN C O 1 ATOM 4594 C CB . ASN B 1 253 ? -5.676 -46.451 9.923 1.00 36.22 ? 386 ASN C CB 1 ATOM 4595 C CG . ASN B 1 253 ? -6.794 -47.413 9.564 1.00 40.87 ? 386 ASN C CG 1 ATOM 4596 O OD1 . ASN B 1 253 ? -7.853 -47.421 10.193 1.00 38.91 ? 386 ASN C OD1 1 ATOM 4597 N ND2 . ASN B 1 253 ? -6.559 -48.231 8.543 1.00 49.84 ? 386 ASN C ND2 1 ATOM 4598 N N . THR B 1 254 ? -8.228 -44.536 11.331 1.00 34.56 ? 387 THR C N 1 ATOM 4599 C CA . THR B 1 254 ? -9.049 -44.270 12.511 1.00 42.29 ? 387 THR C CA 1 ATOM 4600 C C . THR B 1 254 ? -10.009 -45.400 12.880 1.00 37.61 ? 387 THR C C 1 ATOM 4601 O O . THR B 1 254 ? -10.983 -45.173 13.598 1.00 40.56 ? 387 THR C O 1 ATOM 4602 C CB . THR B 1 254 ? -9.876 -42.987 12.335 1.00 37.66 ? 387 THR C CB 1 ATOM 4603 O OG1 . THR B 1 254 ? -10.666 -43.088 11.143 1.00 39.68 ? 387 THR C OG1 1 ATOM 4604 C CG2 . THR B 1 254 ? -8.963 -41.779 12.233 1.00 34.03 ? 387 THR C CG2 1 ATOM 4605 N N . THR B 1 255 ? -9.736 -46.606 12.393 1.00 37.10 ? 388 THR C N 1 ATOM 4606 C CA . THR B 1 255 ? -10.582 -47.762 12.689 1.00 47.39 ? 388 THR C CA 1 ATOM 4607 C C . THR B 1 255 ? -10.725 -47.993 14.192 1.00 41.77 ? 388 THR C C 1 ATOM 4608 O O . THR B 1 255 ? -11.824 -48.235 14.694 1.00 51.95 ? 388 THR C O 1 ATOM 4609 C CB . THR B 1 255 ? -10.034 -49.046 12.030 1.00 51.05 ? 388 THR C CB 1 ATOM 4610 O OG1 . THR B 1 255 ? -10.132 -48.934 10.605 1.00 44.43 ? 388 THR C OG1 1 ATOM 4611 C CG2 . THR B 1 255 ? -10.821 -50.264 12.488 1.00 49.57 ? 388 THR C CG2 1 ATOM 4612 N N . GLN B 1 256 ? -9.610 -47.895 14.907 1.00 41.35 ? 389 GLN C N 1 ATOM 4613 C CA . GLN B 1 256 ? -9.588 -48.166 16.340 1.00 42.84 ? 389 GLN C CA 1 ATOM 4614 C C . GLN B 1 256 ? -10.202 -47.035 17.164 1.00 47.97 ? 389 GLN C C 1 ATOM 4615 O O . GLN B 1 256 ? -10.558 -47.229 18.326 1.00 46.07 ? 389 GLN C O 1 ATOM 4616 C CB . GLN B 1 256 ? -8.157 -48.445 16.800 1.00 50.52 ? 389 GLN C CB 1 ATOM 4617 C CG . GLN B 1 256 ? -7.535 -49.673 16.154 1.00 61.67 ? 389 GLN C CG 1 ATOM 4618 C CD . GLN B 1 256 ? -6.044 -49.771 16.403 1.00 68.57 ? 389 GLN C CD 1 ATOM 4619 O OE1 . GLN B 1 256 ? -5.591 -50.559 17.233 1.00 71.92 ? 389 GLN C OE1 1 ATOM 4620 N NE2 . GLN B 1 256 ? -5.271 -48.969 15.679 1.00 59.14 ? 389 GLN C NE2 1 ATOM 4621 N N . LEU B 1 257 ? -10.325 -45.856 16.562 1.00 37.19 ? 390 LEU C N 1 ATOM 4622 C CA . LEU B 1 257 ? -10.918 -44.710 17.246 1.00 44.95 ? 390 LEU C CA 1 ATOM 4623 C C . LEU B 1 257 ? -12.417 -44.884 17.458 1.00 52.16 ? 390 LEU C C 1 ATOM 4624 O O . LEU B 1 257 ? -12.976 -44.386 18.436 1.00 57.53 ? 390 LEU C O 1 ATOM 4625 C CB . LEU B 1 257 ? -10.658 -43.416 16.471 1.00 50.13 ? 390 LEU C CB 1 ATOM 4626 C CG . LEU B 1 257 ? -9.436 -42.598 16.888 1.00 49.99 ? 390 LEU C CG 1 ATOM 4627 C CD1 . LEU B 1 257 ? -9.406 -41.273 16.144 1.00 40.67 ? 390 LEU C CD1 1 ATOM 4628 C CD2 . LEU B 1 257 ? -9.427 -42.373 18.393 1.00 50.28 ? 390 LEU C CD2 1 ATOM 4629 N N . PHE B 1 258 ? -13.064 -45.591 16.538 1.00 39.97 ? 391 PHE C N 1 ATOM 4630 C CA . PHE B 1 258 ? -14.508 -45.777 16.598 1.00 47.78 ? 391 PHE C CA 1 ATOM 4631 C C . PHE B 1 258 ? -14.886 -47.242 16.805 1.00 49.42 ? 391 PHE C C 1 ATOM 4632 O O . PHE B 1 258 ? -15.601 -47.830 15.992 1.00 46.90 ? 391 PHE C O 1 ATOM 4633 C CB . PHE B 1 258 ? -15.168 -45.229 15.329 1.00 46.67 ? 391 PHE C CB 1 ATOM 4634 C CG . PHE B 1 258 ? -14.819 -43.797 15.036 1.00 52.48 ? 391 PHE C CG 1 ATOM 4635 C CD1 . PHE B 1 258 ? -15.512 -42.762 15.642 1.00 52.43 ? 391 PHE C CD1 1 ATOM 4636 C CD2 . PHE B 1 258 ? -13.798 -43.485 14.153 1.00 51.14 ? 391 PHE C CD2 1 ATOM 4637 C CE1 . PHE B 1 258 ? -15.193 -41.443 15.374 1.00 48.97 ? 391 PHE C CE1 1 ATOM 4638 C CE2 . PHE B 1 258 ? -13.473 -42.168 13.881 1.00 47.85 ? 391 PHE C CE2 1 ATOM 4639 C CZ . PHE B 1 258 ? -14.172 -41.146 14.492 1.00 44.03 ? 391 PHE C CZ 1 ATOM 4640 N N . ASN B 1 259 ? -14.400 -47.825 17.897 1.00 55.86 ? 392 ASN C N 1 ATOM 4641 C CA . ASN B 1 259 ? -14.725 -49.203 18.245 1.00 60.21 ? 392 ASN C CA 1 ATOM 4642 C C . ASN B 1 259 ? -15.996 -49.258 19.086 1.00 64.46 ? 392 ASN C C 1 ATOM 4643 O O . ASN B 1 259 ? -16.016 -48.789 20.223 1.00 50.06 ? 392 ASN C O 1 ATOM 4644 C CB . ASN B 1 259 ? -13.558 -49.855 18.992 1.00 66.01 ? 392 ASN C CB 1 ATOM 4645 C CG . ASN B 1 259 ? -13.683 -51.368 19.075 1.00 75.36 ? 392 ASN C CG 1 ATOM 4646 O OD1 . ASN B 1 259 ? -14.748 -51.902 19.388 1.00 74.79 ? 392 ASN C OD1 1 ATOM 4647 N ND2 . ASN B 1 259 ? -12.590 -52.066 18.788 1.00 97.44 ? 392 ASN C ND2 1 ATOM 4648 N N . ASN B 1 260 ? -17.049 -49.841 18.521 1.00 52.66 ? 393 ASN C N 1 ATOM 4649 C CA . ASN B 1 260 ? -18.364 -49.859 19.158 1.00 55.00 ? 393 ASN C CA 1 ATOM 4650 C C . ASN B 1 260 ? -18.405 -50.589 20.500 1.00 62.95 ? 393 ASN C C 1 ATOM 4651 O O . ASN B 1 260 ? -19.237 -50.283 21.354 1.00 61.84 ? 393 ASN C O 1 ATOM 4652 C CB . ASN B 1 260 ? -19.407 -50.453 18.209 1.00 57.45 ? 393 ASN C CB 1 ATOM 4653 C CG . ASN B 1 260 ? -19.498 -49.697 16.898 1.00 62.97 ? 393 ASN C CG 1 ATOM 4654 O OD1 . ASN B 1 260 ? -20.116 -48.635 16.821 1.00 60.11 ? 393 ASN C OD1 1 ATOM 4655 N ND2 . ASN B 1 260 ? -18.881 -50.243 15.856 1.00 57.82 ? 393 ASN C ND2 1 ATOM 4656 N N . THR B 1 261 ? -17.508 -51.553 20.680 1.00 63.31 ? 394 THR C N 1 ATOM 4657 C CA . THR B 1 261 ? -17.471 -52.333 21.912 1.00 63.75 ? 394 THR C CA 1 ATOM 4658 C C . THR B 1 261 ? -16.812 -51.560 23.052 1.00 64.43 ? 394 THR C C 1 ATOM 4659 O O . THR B 1 261 ? -17.195 -51.703 24.213 1.00 69.23 ? 394 THR C O 1 ATOM 4660 C CB . THR B 1 261 ? -16.733 -53.670 21.714 1.00 63.91 ? 394 THR C CB 1 ATOM 4661 O OG1 . THR B 1 261 ? -15.375 -53.418 21.332 1.00 68.89 ? 394 THR C OG1 1 ATOM 4662 C CG2 . THR B 1 261 ? -17.413 -54.498 20.635 1.00 63.36 ? 394 THR C CG2 1 ATOM 4663 N N . CYS B 1 262 ? -15.822 -50.739 22.715 1.00 54.85 ? 395 CYS C N 1 ATOM 4664 C CA . CYS B 1 262 ? -15.091 -49.971 23.718 1.00 61.74 ? 395 CYS C CA 1 ATOM 4665 C C . CYS B 1 262 ? -15.879 -48.755 24.193 1.00 69.43 ? 395 CYS C C 1 ATOM 4666 O O . CYS B 1 262 ? -15.647 -48.246 25.290 1.00 68.99 ? 395 CYS C O 1 ATOM 4667 C CB . CYS B 1 262 ? -13.729 -49.535 23.173 1.00 53.78 ? 395 CYS C CB 1 ATOM 4668 S SG . CYS B 1 262 ? -12.566 -50.892 22.902 1.00 71.82 ? 395 CYS C SG 1 ATOM 4669 N N . ILE B 1 263 ? -16.807 -48.294 23.362 1.00 77.47 ? 396 ILE C N 1 ATOM 4670 C CA . ILE B 1 263 ? -17.623 -47.129 23.687 1.00 77.37 ? 396 ILE C CA 1 ATOM 4671 C C . ILE B 1 263 ? -18.535 -47.396 24.881 1.00 69.74 ? 396 ILE C C 1 ATOM 4672 O O . ILE B 1 263 ? -19.436 -48.233 24.811 1.00 70.29 ? 396 ILE C O 1 ATOM 4673 C CB . ILE B 1 263 ? -18.482 -46.693 22.486 1.00 81.65 ? 396 ILE C CB 1 ATOM 4674 C CG1 . ILE B 1 263 ? -17.590 -46.263 21.320 1.00 81.93 ? 396 ILE C CG1 1 ATOM 4675 C CG2 . ILE B 1 263 ? -19.413 -45.560 22.879 1.00 80.68 ? 396 ILE C CG2 1 ATOM 4676 C CD1 . ILE B 1 263 ? -18.353 -45.979 20.046 1.00 82.09 ? 396 ILE C CD1 1 ATOM 4677 N N . ASN B 1 272 ? -9.108 -49.643 27.464 1.00 60.17 ? 411 ASN C N 1 ATOM 4678 C CA . ASN B 1 272 ? -8.976 -48.547 28.416 1.00 55.13 ? 411 ASN C CA 1 ATOM 4679 C C . ASN B 1 272 ? -7.587 -47.922 28.370 1.00 58.33 ? 411 ASN C C 1 ATOM 4680 O O . ASN B 1 272 ? -7.357 -46.850 28.928 1.00 60.64 ? 411 ASN C O 1 ATOM 4681 C CB . ASN B 1 272 ? -9.297 -49.020 29.837 1.00 62.98 ? 411 ASN C CB 1 ATOM 4682 C CG . ASN B 1 272 ? -8.208 -49.904 30.425 1.00 66.44 ? 411 ASN C CG 1 ATOM 4683 O OD1 . ASN B 1 272 ? -7.694 -49.633 31.510 1.00 75.91 ? 411 ASN C OD1 1 ATOM 4684 N ND2 . ASN B 1 272 ? -7.855 -50.969 29.712 1.00 62.55 ? 411 ASN C ND2 1 ATOM 4685 N N . GLY B 1 273 ? -6.665 -48.603 27.697 1.00 56.91 ? 412 GLY C N 1 ATOM 4686 C CA . GLY B 1 273 ? -5.298 -48.133 27.588 1.00 49.88 ? 412 GLY C CA 1 ATOM 4687 C C . GLY B 1 273 ? -5.112 -47.170 26.434 1.00 55.56 ? 412 GLY C C 1 ATOM 4688 O O . GLY B 1 273 ? -6.073 -46.578 25.944 1.00 48.58 ? 412 GLY C O 1 ATOM 4689 N N . THR B 1 274 ? -3.867 -47.016 25.997 1.00 40.38 ? 413 THR C N 1 ATOM 4690 C CA . THR B 1 274 ? -3.547 -46.098 24.913 1.00 37.94 ? 413 THR C CA 1 ATOM 4691 C C . THR B 1 274 ? -3.973 -46.666 23.564 1.00 41.94 ? 413 THR C C 1 ATOM 4692 O O . THR B 1 274 ? -3.617 -47.792 23.213 1.00 47.23 ? 413 THR C O 1 ATOM 4693 C CB . THR B 1 274 ? -2.040 -45.777 24.877 1.00 47.52 ? 413 THR C CB 1 ATOM 4694 O OG1 . THR B 1 274 ? -1.644 -45.191 26.123 1.00 48.00 ? 413 THR C OG1 1 ATOM 4695 C CG2 . THR B 1 274 ? -1.722 -44.813 23.746 1.00 42.51 ? 413 THR C CG2 1 ATOM 4696 N N . ILE B 1 275 ? -4.747 -45.884 22.819 1.00 40.43 ? 414 ILE C N 1 ATOM 4697 C CA . ILE B 1 275 ? -5.141 -46.253 21.467 1.00 48.91 ? 414 ILE C CA 1 ATOM 4698 C C . ILE B 1 275 ? -4.067 -45.802 20.487 1.00 46.21 ? 414 ILE C C 1 ATOM 4699 O O . ILE B 1 275 ? -3.748 -44.616 20.411 1.00 43.32 ? 414 ILE C O 1 ATOM 4700 C CB . ILE B 1 275 ? -6.479 -45.601 21.073 1.00 45.16 ? 414 ILE C CB 1 ATOM 4701 C CG1 . ILE B 1 275 ? -7.574 -45.976 22.074 1.00 52.74 ? 414 ILE C CG1 1 ATOM 4702 C CG2 . ILE B 1 275 ? -6.875 -46.009 19.663 1.00 49.19 ? 414 ILE C CG2 1 ATOM 4703 C CD1 . ILE B 1 275 ? -8.906 -45.312 21.799 1.00 53.81 ? 414 ILE C CD1 1 ATOM 4704 N N . THR B 1 276 ? -3.507 -46.748 19.741 1.00 38.90 ? 415 THR C N 1 ATOM 4705 C CA . THR B 1 276 ? -2.445 -46.432 18.792 1.00 34.64 ? 415 THR C CA 1 ATOM 4706 C C . THR B 1 276 ? -2.909 -46.598 17.346 1.00 34.57 ? 415 THR C C 1 ATOM 4707 O O . THR B 1 276 ? -3.189 -47.709 16.897 1.00 39.92 ? 415 THR C O 1 ATOM 4708 C CB . THR B 1 276 ? -1.197 -47.304 19.028 1.00 37.15 ? 415 THR C CB 1 ATOM 4709 O OG1 . THR B 1 276 ? -0.723 -47.110 20.366 1.00 38.67 ? 415 THR C OG1 1 ATOM 4710 C CG2 . THR B 1 276 ? -0.096 -46.931 18.048 1.00 38.66 ? 415 THR C CG2 1 ATOM 4711 N N . LEU B 1 277 ? -2.987 -45.484 16.625 1.00 33.15 ? 416 LEU C N 1 ATOM 4712 C CA . LEU B 1 277 ? -3.390 -45.503 15.226 1.00 34.18 ? 416 LEU C CA 1 ATOM 4713 C C . LEU B 1 277 ? -2.166 -45.555 14.323 1.00 37.32 ? 416 LEU C C 1 ATOM 4714 O O . LEU B 1 277 ? -1.247 -44.751 14.474 1.00 34.62 ? 416 LEU C O 1 ATOM 4715 C CB . LEU B 1 277 ? -4.215 -44.261 14.888 1.00 33.33 ? 416 LEU C CB 1 ATOM 4716 C CG . LEU B 1 277 ? -5.422 -43.946 15.771 1.00 38.78 ? 416 LEU C CG 1 ATOM 4717 C CD1 . LEU B 1 277 ? -6.141 -42.712 15.248 1.00 36.53 ? 416 LEU C CD1 1 ATOM 4718 C CD2 . LEU B 1 277 ? -6.368 -45.135 15.848 1.00 44.13 ? 416 LEU C CD2 1 ATOM 4719 N N . PRO B 1 278 ? -2.147 -46.505 13.378 1.00 38.89 ? 417 PRO C N 1 ATOM 4720 C CA . PRO B 1 278 ? -1.050 -46.572 12.410 1.00 35.09 ? 417 PRO C CA 1 ATOM 4721 C C . PRO B 1 278 ? -1.148 -45.431 11.403 1.00 37.00 ? 417 PRO C C 1 ATOM 4722 O O . PRO B 1 278 ? -2.228 -45.170 10.871 1.00 33.46 ? 417 PRO C O 1 ATOM 4723 C CB . PRO B 1 278 ? -1.276 -47.920 11.720 1.00 35.53 ? 417 PRO C CB 1 ATOM 4724 C CG . PRO B 1 278 ? -2.738 -48.170 11.855 1.00 39.51 ? 417 PRO C CG 1 ATOM 4725 C CD . PRO B 1 278 ? -3.135 -47.580 13.178 1.00 44.18 ? 417 PRO C CD 1 ATOM 4726 N N . CYS B 1 279 ? -0.033 -44.754 11.155 1.00 32.67 ? 418 CYS C N 1 ATOM 4727 C CA . CYS B 1 279 ? -0.015 -43.626 10.232 1.00 29.68 ? 418 CYS C CA 1 ATOM 4728 C C . CYS B 1 279 ? 1.095 -43.770 9.203 1.00 34.30 ? 418 CYS C C 1 ATOM 4729 O O . CYS B 1 279 ? 2.023 -44.560 9.380 1.00 32.06 ? 418 CYS C O 1 ATOM 4730 C CB . CYS B 1 279 ? 0.170 -42.311 10.992 1.00 36.99 ? 418 CYS C CB 1 ATOM 4731 S SG . CYS B 1 279 ? -1.120 -41.939 12.199 1.00 42.70 ? 418 CYS C SG 1 ATOM 4732 N N . LYS B 1 280 ? 0.993 -42.999 8.127 1.00 34.90 ? 419 LYS C N 1 ATOM 4733 C CA . LYS B 1 280 ? 2.065 -42.916 7.147 1.00 32.91 ? 419 LYS C CA 1 ATOM 4734 C C . LYS B 1 280 ? 2.199 -41.499 6.601 1.00 34.42 ? 419 LYS C C 1 ATOM 4735 O O . LYS B 1 280 ? 1.206 -40.798 6.415 1.00 29.91 ? 419 LYS C O 1 ATOM 4736 C CB . LYS B 1 280 ? 1.855 -43.918 6.009 1.00 39.41 ? 419 LYS C CB 1 ATOM 4737 C CG . LYS B 1 280 ? 0.572 -43.729 5.220 1.00 45.10 ? 419 LYS C CG 1 ATOM 4738 C CD . LYS B 1 280 ? 0.433 -44.809 4.158 1.00 55.76 ? 419 LYS C CD 1 ATOM 4739 C CE . LYS B 1 280 ? -0.865 -44.669 3.382 1.00 48.97 ? 419 LYS C CE 1 ATOM 4740 N NZ . LYS B 1 280 ? -1.018 -45.753 2.372 1.00 51.31 ? 419 LYS C NZ 1 ATOM 4741 N N . ILE B 1 281 ? 3.437 -41.078 6.370 1.00 25.79 ? 420 ILE C N 1 ATOM 4742 C CA . ILE B 1 281 ? 3.703 -39.796 5.737 1.00 24.80 ? 420 ILE C CA 1 ATOM 4743 C C . ILE B 1 281 ? 3.821 -40.008 4.236 1.00 30.93 ? 420 ILE C C 1 ATOM 4744 O O . ILE B 1 281 ? 4.659 -40.785 3.778 1.00 27.62 ? 420 ILE C O 1 ATOM 4745 C CB . ILE B 1 281 ? 5.002 -39.166 6.259 1.00 24.35 ? 420 ILE C CB 1 ATOM 4746 C CG1 . ILE B 1 281 ? 4.919 -38.947 7.771 1.00 26.72 ? 420 ILE C CG1 1 ATOM 4747 C CG2 . ILE B 1 281 ? 5.283 -37.853 5.542 1.00 23.59 ? 420 ILE C CG2 1 ATOM 4748 C CD1 . ILE B 1 281 ? 6.162 -38.320 8.364 1.00 32.49 ? 420 ILE C CD1 1 ATOM 4749 N N . LYS B 1 282 ? 2.976 -39.324 3.474 1.00 26.00 ? 421 LYS C N 1 ATOM 4750 C CA . LYS B 1 282 ? 2.940 -39.507 2.027 1.00 26.21 ? 421 LYS C CA 1 ATOM 4751 C C . LYS B 1 282 ? 3.561 -38.336 1.274 1.00 26.84 ? 421 LYS C C 1 ATOM 4752 O O . LYS B 1 282 ? 3.330 -37.175 1.609 1.00 29.63 ? 421 LYS C O 1 ATOM 4753 C CB . LYS B 1 282 ? 1.503 -39.738 1.550 1.00 28.84 ? 421 LYS C CB 1 ATOM 4754 C CG . LYS B 1 282 ? 0.938 -41.102 1.915 1.00 31.47 ? 421 LYS C CG 1 ATOM 4755 C CD . LYS B 1 282 ? -0.484 -41.273 1.403 1.00 32.03 ? 421 LYS C CD 1 ATOM 4756 C CE . LYS B 1 282 ? -0.567 -41.043 -0.097 1.00 33.07 ? 421 LYS C CE 1 ATOM 4757 N NZ . LYS B 1 282 ? 0.390 -41.900 -0.850 1.00 37.09 ? 421 LYS C NZ 1 ATOM 4758 N N . GLN B 1 283 ? 4.350 -38.654 0.252 1.00 29.62 ? 422 GLN C N 1 ATOM 4759 C CA . GLN B 1 283 ? 4.954 -37.636 -0.597 1.00 31.00 ? 422 GLN C CA 1 ATOM 4760 C C . GLN B 1 283 ? 3.980 -37.205 -1.688 1.00 29.59 ? 422 GLN C C 1 ATOM 4761 O O . GLN B 1 283 ? 3.904 -36.029 -2.038 1.00 32.36 ? 422 GLN C O 1 ATOM 4762 C CB . GLN B 1 283 ? 6.241 -38.161 -1.235 1.00 32.44 ? 422 GLN C CB 1 ATOM 4763 C CG . GLN B 1 283 ? 7.335 -38.510 -0.242 1.00 32.57 ? 422 GLN C CG 1 ATOM 4764 C CD . GLN B 1 283 ? 8.575 -39.059 -0.919 1.00 45.70 ? 422 GLN C CD 1 ATOM 4765 O OE1 . GLN B 1 283 ? 9.085 -40.115 -0.544 1.00 52.52 ? 422 GLN C OE1 1 ATOM 4766 N NE2 . GLN B 1 283 ? 9.068 -38.343 -1.923 1.00 42.10 ? 422 GLN C NE2 1 ATOM 4767 N N . ILE B 1 284 ? 3.238 -38.170 -2.221 1.00 30.49 ? 423 ILE C N 1 ATOM 4768 C CA . ILE B 1 284 ? 2.274 -37.903 -3.280 1.00 34.98 ? 423 ILE C CA 1 ATOM 4769 C C . ILE B 1 284 ? 0.875 -37.769 -2.692 1.00 32.01 ? 423 ILE C C 1 ATOM 4770 O O . ILE B 1 284 ? 0.356 -38.704 -2.086 1.00 33.45 ? 423 ILE C O 1 ATOM 4771 C CB . ILE B 1 284 ? 2.285 -39.021 -4.336 1.00 34.60 ? 423 ILE C CB 1 ATOM 4772 C CG1 . ILE B 1 284 ? 3.706 -39.234 -4.860 1.00 38.54 ? 423 ILE C CG1 1 ATOM 4773 C CG2 . ILE B 1 284 ? 1.327 -38.695 -5.473 1.00 35.72 ? 423 ILE C CG2 1 ATOM 4774 C CD1 . ILE B 1 284 ? 3.840 -40.398 -5.810 1.00 44.81 ? 423 ILE C CD1 1 ATOM 4775 N N . ILE B 1 285 ? 0.272 -36.599 -2.867 1.00 29.79 ? 424 ILE C N 1 ATOM 4776 C CA . ILE B 1 285 ? -1.021 -36.315 -2.259 1.00 33.18 ? 424 ILE C CA 1 ATOM 4777 C C . ILE B 1 285 ? -2.017 -35.746 -3.261 1.00 34.71 ? 424 ILE C C 1 ATOM 4778 O O . ILE B 1 285 ? -1.638 -35.234 -4.315 1.00 30.98 ? 424 ILE C O 1 ATOM 4779 C CB . ILE B 1 285 ? -0.886 -35.292 -1.116 1.00 27.14 ? 424 ILE C CB 1 ATOM 4780 C CG1 . ILE B 1 285 ? -0.417 -33.945 -1.675 1.00 31.70 ? 424 ILE C CG1 1 ATOM 4781 C CG2 . ILE B 1 285 ? 0.069 -35.798 -0.042 1.00 29.64 ? 424 ILE C CG2 1 ATOM 4782 C CD1 . ILE B 1 285 ? -0.485 -32.813 -0.685 1.00 33.14 ? 424 ILE C CD1 1 ATOM 4783 N N . ASN B 1 286 ? -3.297 -35.846 -2.919 1.00 33.63 ? 425 ASN C N 1 ATOM 4784 C CA . ASN B 1 286 ? -4.339 -35.124 -3.631 1.00 35.81 ? 425 ASN C CA 1 ATOM 4785 C C . ASN B 1 286 ? -4.528 -33.768 -2.966 1.00 35.81 ? 425 ASN C C 1 ATOM 4786 O O . ASN B 1 286 ? -4.741 -33.687 -1.754 1.00 32.58 ? 425 ASN C O 1 ATOM 4787 C CB . ASN B 1 286 ? -5.650 -35.911 -3.616 1.00 29.65 ? 425 ASN C CB 1 ATOM 4788 C CG . ASN B 1 286 ? -5.570 -37.193 -4.421 1.00 34.38 ? 425 ASN C CG 1 ATOM 4789 O OD1 . ASN B 1 286 ? -5.096 -37.197 -5.557 1.00 32.62 ? 425 ASN C OD1 1 ATOM 4790 N ND2 . ASN B 1 286 ? -6.029 -38.292 -3.832 1.00 39.68 ? 425 ASN C ND2 1 ATOM 4791 N N . MET B 1 287 ? -4.425 -32.703 -3.752 1.00 33.36 ? 426 MET C N 1 ATOM 4792 C CA . MET B 1 287 ? -4.536 -31.352 -3.215 1.00 37.97 ? 426 MET C CA 1 ATOM 4793 C C . MET B 1 287 ? -5.965 -31.049 -2.784 1.00 33.84 ? 426 MET C C 1 ATOM 4794 O O . MET B 1 287 ? -6.906 -31.227 -3.558 1.00 42.66 ? 426 MET C O 1 ATOM 4795 C CB . MET B 1 287 ? -4.057 -30.323 -4.240 1.00 30.34 ? 426 MET C CB 1 ATOM 4796 C CG . MET B 1 287 ? -2.599 -30.485 -4.639 1.00 37.45 ? 426 MET C CG 1 ATOM 4797 S SD . MET B 1 287 ? -2.027 -29.190 -5.755 1.00 53.42 ? 426 MET C SD 1 ATOM 4798 C CE . MET B 1 287 ? -2.256 -27.737 -4.733 1.00 96.04 ? 426 MET C CE 1 ATOM 4799 N N . TRP B 1 288 ? -6.120 -30.589 -1.546 1.00 29.59 ? 427 TRP C N 1 ATOM 4800 C CA . TRP B 1 288 ? -7.442 -30.288 -1.006 1.00 33.67 ? 427 TRP C CA 1 ATOM 4801 C C . TRP B 1 288 ? -8.101 -29.110 -1.712 1.00 35.04 ? 427 TRP C C 1 ATOM 4802 O O . TRP B 1 288 ? -9.325 -28.980 -1.707 1.00 35.23 ? 427 TRP C O 1 ATOM 4803 C CB . TRP B 1 288 ? -7.388 -30.056 0.511 1.00 27.54 ? 427 TRP C CB 1 ATOM 4804 C CG . TRP B 1 288 ? -6.596 -28.867 0.954 1.00 28.72 ? 427 TRP C CG 1 ATOM 4805 C CD1 . TRP B 1 288 ? -5.290 -28.856 1.348 1.00 29.19 ? 427 TRP C CD1 1 ATOM 4806 C CD2 . TRP B 1 288 ? -7.065 -27.518 1.078 1.00 27.42 ? 427 TRP C CD2 1 ATOM 4807 N NE1 . TRP B 1 288 ? -4.913 -27.582 1.699 1.00 27.62 ? 427 TRP C NE1 1 ATOM 4808 C CE2 . TRP B 1 288 ? -5.984 -26.742 1.541 1.00 28.40 ? 427 TRP C CE2 1 ATOM 4809 C CE3 . TRP B 1 288 ? -8.291 -26.890 0.834 1.00 29.01 ? 427 TRP C CE3 1 ATOM 4810 C CZ2 . TRP B 1 288 ? -6.092 -25.370 1.768 1.00 26.15 ? 427 TRP C CZ2 1 ATOM 4811 C CZ3 . TRP B 1 288 ? -8.396 -25.528 1.059 1.00 28.27 ? 427 TRP C CZ3 1 ATOM 4812 C CH2 . TRP B 1 288 ? -7.303 -24.784 1.521 1.00 26.49 ? 427 TRP C CH2 1 ATOM 4813 N N . GLN B 1 289 ? -7.284 -28.261 -2.327 1.00 30.09 ? 428 GLN C N 1 ATOM 4814 C CA . GLN B 1 289 ? -7.789 -27.131 -3.097 1.00 36.91 ? 428 GLN C CA 1 ATOM 4815 C C . GLN B 1 289 ? -8.600 -27.616 -4.295 1.00 52.45 ? 428 GLN C C 1 ATOM 4816 O O . GLN B 1 289 ? -9.402 -26.868 -4.856 1.00 56.53 ? 428 GLN C O 1 ATOM 4817 C CB . GLN B 1 289 ? -6.638 -26.240 -3.572 1.00 40.07 ? 428 GLN C CB 1 ATOM 4818 C CG . GLN B 1 289 ? -5.776 -25.664 -2.461 1.00 35.53 ? 428 GLN C CG 1 ATOM 4819 C CD . GLN B 1 289 ? -4.630 -26.579 -2.072 1.00 36.79 ? 428 GLN C CD 1 ATOM 4820 O OE1 . GLN B 1 289 ? -4.801 -27.792 -1.945 1.00 32.80 ? 428 GLN C OE1 1 ATOM 4821 N NE2 . GLN B 1 289 ? -3.450 -26.000 -1.888 1.00 37.40 ? 428 GLN C NE2 1 ATOM 4822 N N . GLY B 1 290 ? -8.384 -28.871 -4.681 1.00 46.14 ? 429 GLY C N 1 ATOM 4823 C CA . GLY B 1 290 ? -9.102 -29.472 -5.791 1.00 50.70 ? 429 GLY C CA 1 ATOM 4824 C C . GLY B 1 290 ? -8.509 -29.086 -7.131 1.00 65.91 ? 429 GLY C C 1 ATOM 4825 O O . GLY B 1 290 ? -9.221 -28.967 -8.127 1.00 78.02 ? 429 GLY C O 1 ATOM 4826 N N . THR B 1 291 ? -7.195 -28.889 -7.155 1.00 67.62 ? 430 THR C N 1 ATOM 4827 C CA . THR B 1 291 ? -6.513 -28.465 -8.370 1.00 69.71 ? 430 THR C CA 1 ATOM 4828 C C . THR B 1 291 ? -5.791 -29.618 -9.062 1.00 71.36 ? 430 THR C C 1 ATOM 4829 O O . THR B 1 291 ? -5.634 -29.613 -10.281 1.00 83.48 ? 430 THR C O 1 ATOM 4830 C CB . THR B 1 291 ? -5.512 -27.312 -8.086 1.00 87.41 ? 430 THR C CB 1 ATOM 4831 O OG1 . THR B 1 291 ? -4.598 -27.713 -7.057 1.00 90.78 ? 430 THR C OG1 1 ATOM 4832 C CG2 . THR B 1 291 ? -6.248 -26.059 -7.638 1.00 83.58 ? 430 THR C CG2 1 ATOM 4833 N N . GLY B 1 292 ? -5.358 -30.604 -8.284 1.00 61.68 ? 431 GLY C N 1 ATOM 4834 C CA . GLY B 1 292 ? -4.713 -31.778 -8.844 1.00 47.41 ? 431 GLY C CA 1 ATOM 4835 C C . GLY B 1 292 ? -3.959 -32.614 -7.825 1.00 44.16 ? 431 GLY C C 1 ATOM 4836 O O . GLY B 1 292 ? -4.410 -32.794 -6.694 1.00 37.22 ? 431 GLY C O 1 ATOM 4837 N N . GLN B 1 293 ? -2.807 -33.135 -8.234 1.00 33.61 ? 432 GLN C N 1 ATOM 4838 C CA . GLN B 1 293 ? -1.947 -33.898 -7.336 1.00 34.39 ? 432 GLN C CA 1 ATOM 4839 C C . GLN B 1 293 ? -0.593 -33.213 -7.179 1.00 38.96 ? 432 GLN C C 1 ATOM 4840 O O . GLN B 1 293 ? -0.179 -32.434 -8.036 1.00 37.39 ? 432 GLN C O 1 ATOM 4841 C CB . GLN B 1 293 ? -1.757 -35.330 -7.844 1.00 41.52 ? 432 GLN C CB 1 ATOM 4842 C CG . GLN B 1 293 ? -2.981 -36.226 -7.707 1.00 53.89 ? 432 GLN C CG 1 ATOM 4843 C CD . GLN B 1 293 ? -4.035 -35.951 -8.760 1.00 63.10 ? 432 GLN C CD 1 ATOM 4844 O OE1 . GLN B 1 293 ? -3.718 -35.718 -9.926 1.00 73.21 ? 432 GLN C OE1 1 ATOM 4845 N NE2 . GLN B 1 293 ? -5.299 -35.971 -8.351 1.00 59.52 ? 432 GLN C NE2 1 ATOM 4846 N N . ALA B 1 294 ? 0.093 -33.508 -6.081 1.00 33.60 ? 433 ALA C N 1 ATOM 4847 C CA . ALA B 1 294 ? 1.401 -32.917 -5.825 1.00 32.73 ? 433 ALA C CA 1 ATOM 4848 C C . ALA B 1 294 ? 2.334 -33.930 -5.177 1.00 34.44 ? 433 ALA C C 1 ATOM 4849 O O . ALA B 1 294 ? 1.889 -34.813 -4.446 1.00 35.69 ? 433 ALA C O 1 ATOM 4850 C CB . ALA B 1 294 ? 1.265 -31.682 -4.945 1.00 32.50 ? 433 ALA C CB 1 ATOM 4851 N N . MET B 1 295 ? 3.628 -33.802 -5.451 1.00 30.97 ? 434 MET C N 1 ATOM 4852 C CA . MET B 1 295 ? 4.618 -34.671 -4.827 1.00 34.53 ? 434 MET C CA 1 ATOM 4853 C C . MET B 1 295 ? 5.670 -33.860 -4.083 1.00 34.85 ? 434 MET C C 1 ATOM 4854 O O . MET B 1 295 ? 6.216 -32.891 -4.612 1.00 36.29 ? 434 MET C O 1 ATOM 4855 C CB . MET B 1 295 ? 5.283 -35.586 -5.857 1.00 38.68 ? 434 MET C CB 1 ATOM 4856 C CG . MET B 1 295 ? 6.285 -36.556 -5.248 1.00 35.61 ? 434 MET C CG 1 ATOM 4857 S SD . MET B 1 295 ? 6.929 -37.759 -6.424 1.00 44.89 ? 434 MET C SD 1 ATOM 4858 C CE . MET B 1 295 ? 7.908 -36.710 -7.495 1.00 52.28 ? 434 MET C CE 1 ATOM 4859 N N . TYR B 1 296 ? 5.947 -34.266 -2.849 1.00 30.31 ? 435 TYR C N 1 ATOM 4860 C CA . TYR B 1 296 ? 6.916 -33.577 -2.010 1.00 37.35 ? 435 TYR C CA 1 ATOM 4861 C C . TYR B 1 296 ? 8.121 -34.469 -1.744 1.00 36.20 ? 435 TYR C C 1 ATOM 4862 O O . TYR B 1 296 ? 8.108 -35.656 -2.066 1.00 35.81 ? 435 TYR C O 1 ATOM 4863 C CB . TYR B 1 296 ? 6.268 -33.154 -0.690 1.00 34.37 ? 435 TYR C CB 1 ATOM 4864 C CG . TYR B 1 296 ? 5.189 -32.106 -0.853 1.00 30.26 ? 435 TYR C CG 1 ATOM 4865 C CD1 . TYR B 1 296 ? 3.905 -32.457 -1.256 1.00 26.83 ? 435 TYR C CD1 1 ATOM 4866 C CD2 . TYR B 1 296 ? 5.455 -30.766 -0.606 1.00 29.49 ? 435 TYR C CD2 1 ATOM 4867 C CE1 . TYR B 1 296 ? 2.918 -31.500 -1.412 1.00 23.37 ? 435 TYR C CE1 1 ATOM 4868 C CE2 . TYR B 1 296 ? 4.474 -29.802 -0.756 1.00 32.33 ? 435 TYR C CE2 1 ATOM 4869 C CZ . TYR B 1 296 ? 3.209 -30.174 -1.158 1.00 31.06 ? 435 TYR C CZ 1 ATOM 4870 O OH . TYR B 1 296 ? 2.233 -29.217 -1.309 1.00 30.98 ? 435 TYR C OH 1 ATOM 4871 N N . ALA B 1 297 ? 9.163 -33.886 -1.162 1.00 32.26 ? 436 ALA C N 1 ATOM 4872 C CA . ALA B 1 297 ? 10.362 -34.634 -0.808 1.00 37.43 ? 436 ALA C CA 1 ATOM 4873 C C . ALA B 1 297 ? 10.078 -35.535 0.393 1.00 35.25 ? 436 ALA C C 1 ATOM 4874 O O . ALA B 1 297 ? 9.110 -35.309 1.120 1.00 30.85 ? 436 ALA C O 1 ATOM 4875 C CB . ALA B 1 297 ? 11.505 -33.672 -0.502 1.00 41.21 ? 436 ALA C CB 1 ATOM 4876 N N . PRO B 1 298 ? 10.911 -36.572 0.595 1.00 29.24 ? 437 PRO C N 1 ATOM 4877 C CA . PRO B 1 298 ? 10.816 -37.430 1.782 1.00 35.33 ? 437 PRO C CA 1 ATOM 4878 C C . PRO B 1 298 ? 10.889 -36.621 3.077 1.00 36.62 ? 437 PRO C C 1 ATOM 4879 O O . PRO B 1 298 ? 11.428 -35.515 3.067 1.00 34.65 ? 437 PRO C O 1 ATOM 4880 C CB . PRO B 1 298 ? 12.044 -38.332 1.646 1.00 37.08 ? 437 PRO C CB 1 ATOM 4881 C CG . PRO B 1 298 ? 12.239 -38.444 0.187 1.00 44.63 ? 437 PRO C CG 1 ATOM 4882 C CD . PRO B 1 298 ? 11.890 -37.095 -0.374 1.00 29.98 ? 437 PRO C CD 1 ATOM 4883 N N . PRO B 1 299 ? 10.347 -37.167 4.179 1.00 33.53 ? 438 PRO C N 1 ATOM 4884 C CA . PRO B 1 299 ? 10.248 -36.437 5.449 1.00 29.80 ? 438 PRO C CA 1 ATOM 4885 C C . PRO B 1 299 ? 11.593 -35.937 5.968 1.00 31.34 ? 438 PRO C C 1 ATOM 4886 O O . PRO B 1 299 ? 12.633 -36.525 5.669 1.00 30.57 ? 438 PRO C O 1 ATOM 4887 C CB . PRO B 1 299 ? 9.681 -37.486 6.411 1.00 37.18 ? 438 PRO C CB 1 ATOM 4888 C CG . PRO B 1 299 ? 8.969 -38.455 5.542 1.00 34.00 ? 438 PRO C CG 1 ATOM 4889 C CD . PRO B 1 299 ? 9.764 -38.517 4.275 1.00 34.65 ? 438 PRO C CD 1 ATOM 4890 N N . ILE B 1 300 ? 11.557 -34.857 6.743 1.00 31.28 ? 439 ILE C N 1 ATOM 4891 C CA . ILE B 1 300 ? 12.754 -34.311 7.372 1.00 34.77 ? 439 ILE C CA 1 ATOM 4892 C C . ILE B 1 300 ? 13.359 -35.313 8.349 1.00 34.54 ? 439 ILE C C 1 ATOM 4893 O O . ILE B 1 300 ? 12.705 -36.275 8.751 1.00 32.28 ? 439 ILE C O 1 ATOM 4894 C CB . ILE B 1 300 ? 12.440 -33.011 8.135 1.00 34.22 ? 439 ILE C CB 1 ATOM 4895 C CG1 . ILE B 1 300 ? 11.277 -33.232 9.103 1.00 34.42 ? 439 ILE C CG1 1 ATOM 4896 C CG2 . ILE B 1 300 ? 12.109 -31.890 7.168 1.00 37.61 ? 439 ILE C CG2 1 ATOM 4897 C CD1 . ILE B 1 300 ? 10.842 -31.983 9.838 1.00 40.74 ? 439 ILE C CD1 1 ATOM 4898 N N . ASP B 1 301 ? 14.613 -35.083 8.726 1.00 37.15 ? 440 ASP C N 1 ATOM 4899 C CA . ASP B 1 301 ? 15.291 -35.948 9.684 1.00 37.95 ? 440 ASP C CA 1 ATOM 4900 C C . ASP B 1 301 ? 14.822 -35.666 11.105 1.00 35.53 ? 440 ASP C C 1 ATOM 4901 O O . ASP B 1 301 ? 14.308 -34.586 11.397 1.00 35.67 ? 440 ASP C O 1 ATOM 4902 C CB . ASP B 1 301 ? 16.808 -35.763 9.598 1.00 48.63 ? 440 ASP C CB 1 ATOM 4903 C CG . ASP B 1 301 ? 17.391 -36.300 8.307 1.00 63.58 ? 440 ASP C CG 1 ATOM 4904 O OD1 . ASP B 1 301 ? 16.809 -37.249 7.739 1.00 55.66 ? 440 ASP C OD1 1 ATOM 4905 O OD2 . ASP B 1 301 ? 18.434 -35.777 7.862 1.00 73.60 ? 440 ASP C OD2 1 ATOM 4906 N N . GLY B 1 302 ? 14.998 -36.647 11.984 1.00 37.43 ? 441 GLY C N 1 ATOM 4907 C CA . GLY B 1 302 ? 14.717 -36.466 13.395 1.00 40.55 ? 441 GLY C CA 1 ATOM 4908 C C . GLY B 1 302 ? 13.284 -36.744 13.806 1.00 35.45 ? 441 GLY C C 1 ATOM 4909 O O . GLY B 1 302 ? 12.457 -37.178 13.005 1.00 30.80 ? 441 GLY C O 1 ATOM 4910 N N . LYS B 1 303 ? 12.998 -36.486 15.076 1.00 29.63 ? 442 LYS C N 1 ATOM 4911 C CA . LYS B 1 303 ? 11.675 -36.714 15.641 1.00 30.26 ? 442 LYS C CA 1 ATOM 4912 C C . LYS B 1 303 ? 10.663 -35.676 15.156 1.00 26.40 ? 442 LYS C C 1 ATOM 4913 O O . LYS B 1 303 ? 10.874 -34.473 15.302 1.00 28.63 ? 442 LYS C O 1 ATOM 4914 C CB . LYS B 1 303 ? 11.766 -36.709 17.168 1.00 32.78 ? 442 LYS C CB 1 ATOM 4915 C CG . LYS B 1 303 ? 10.443 -36.621 17.901 1.00 33.16 ? 442 LYS C CG 1 ATOM 4916 C CD . LYS B 1 303 ? 10.676 -36.746 19.400 1.00 39.89 ? 442 LYS C CD 1 ATOM 4917 C CE . LYS B 1 303 ? 9.566 -36.096 20.201 1.00 45.72 ? 442 LYS C CE 1 ATOM 4918 N NZ . LYS B 1 303 ? 9.729 -36.339 21.663 1.00 51.26 ? 442 LYS C NZ 1 ATOM 4919 N N . ILE B 1 304 ? 9.571 -36.154 14.569 1.00 27.71 ? 443 ILE C N 1 ATOM 4920 C CA . ILE B 1 304 ? 8.494 -35.286 14.108 1.00 25.32 ? 443 ILE C CA 1 ATOM 4921 C C . ILE B 1 304 ? 7.266 -35.530 14.972 1.00 29.28 ? 443 ILE C C 1 ATOM 4922 O O . ILE B 1 304 ? 6.743 -36.642 15.013 1.00 31.26 ? 443 ILE C O 1 ATOM 4923 C CB . ILE B 1 304 ? 8.131 -35.567 12.637 1.00 26.62 ? 443 ILE C CB 1 ATOM 4924 C CG1 . ILE B 1 304 ? 9.381 -35.518 11.755 1.00 26.89 ? 443 ILE C CG1 1 ATOM 4925 C CG2 . ILE B 1 304 ? 7.086 -34.577 12.144 1.00 25.98 ? 443 ILE C CG2 1 ATOM 4926 C CD1 . ILE B 1 304 ? 9.123 -35.902 10.310 1.00 28.92 ? 443 ILE C CD1 1 ATOM 4927 N N . ASN B 1 305 ? 6.806 -34.493 15.664 1.00 25.20 ? 444 ASN C N 1 ATOM 4928 C CA . ASN B 1 305 ? 5.725 -34.657 16.629 1.00 24.49 ? 444 ASN C CA 1 ATOM 4929 C C . ASN B 1 305 ? 4.685 -33.541 16.605 1.00 27.89 ? 444 ASN C C 1 ATOM 4930 O O . ASN B 1 305 ? 5.024 -32.357 16.623 1.00 24.41 ? 444 ASN C O 1 ATOM 4931 C CB . ASN B 1 305 ? 6.301 -34.810 18.041 1.00 24.37 ? 444 ASN C CB 1 ATOM 4932 C CG . ASN B 1 305 ? 5.231 -34.793 19.115 1.00 27.65 ? 444 ASN C CG 1 ATOM 4933 O OD1 . ASN B 1 305 ? 4.964 -33.758 19.726 1.00 30.95 ? 444 ASN C OD1 1 ATOM 4934 N ND2 . ASN B 1 305 ? 4.611 -35.943 19.351 1.00 26.13 ? 444 ASN C ND2 1 ATOM 4935 N N . CYS B 1 306 ? 3.416 -33.937 16.567 1.00 21.37 ? 445 CYS C N 1 ATOM 4936 C CA . CYS B 1 306 ? 2.302 -33.001 16.654 1.00 21.66 ? 445 CYS C CA 1 ATOM 4937 C C . CYS B 1 306 ? 1.259 -33.495 17.650 1.00 29.01 ? 445 CYS C C 1 ATOM 4938 O O . CYS B 1 306 ? 0.660 -34.553 17.461 1.00 30.10 ? 445 CYS C O 1 ATOM 4939 C CB . CYS B 1 306 ? 1.651 -32.799 15.282 1.00 29.90 ? 445 CYS C CB 1 ATOM 4940 S SG . CYS B 1 306 ? 2.593 -31.761 14.143 1.00 40.16 ? 445 CYS C SG 1 ATOM 4941 N N . VAL B 1 307 ? 1.051 -32.726 18.714 1.00 26.11 ? 446 VAL C N 1 ATOM 4942 C CA . VAL B 1 307 ? 0.015 -33.034 19.693 1.00 21.64 ? 446 VAL C CA 1 ATOM 4943 C C . VAL B 1 307 ? -1.149 -32.068 19.517 1.00 31.85 ? 446 VAL C C 1 ATOM 4944 O O . VAL B 1 307 ? -0.993 -30.860 19.695 1.00 26.54 ? 446 VAL C O 1 ATOM 4945 C CB . VAL B 1 307 ? 0.548 -32.937 21.134 1.00 26.82 ? 446 VAL C CB 1 ATOM 4946 C CG1 . VAL B 1 307 ? -0.563 -33.230 22.133 1.00 28.30 ? 446 VAL C CG1 1 ATOM 4947 C CG2 . VAL B 1 307 ? 1.715 -33.893 21.333 1.00 27.70 ? 446 VAL C CG2 1 ATOM 4948 N N . SER B 1 308 ? -2.313 -32.601 19.160 1.00 24.88 ? 447 SER C N 1 ATOM 4949 C CA . SER B 1 308 ? -3.476 -31.767 18.876 1.00 21.51 ? 447 SER C CA 1 ATOM 4950 C C . SER B 1 308 ? -4.654 -32.115 19.778 1.00 28.59 ? 447 SER C C 1 ATOM 4951 O O . SER B 1 308 ? -4.782 -33.248 20.239 1.00 33.30 ? 447 SER C O 1 ATOM 4952 C CB . SER B 1 308 ? -3.896 -31.924 17.411 1.00 24.43 ? 447 SER C CB 1 ATOM 4953 O OG . SER B 1 308 ? -2.800 -31.736 16.534 1.00 28.44 ? 447 SER C OG 1 ATOM 4954 N N . ASN B 1 309 ? -5.510 -31.129 20.029 1.00 23.90 ? 448 ASN C N 1 ATOM 4955 C CA . ASN B 1 309 ? -6.764 -31.366 20.729 1.00 27.56 ? 448 ASN C CA 1 ATOM 4956 C C . ASN B 1 309 ? -7.862 -31.711 19.735 1.00 26.23 ? 448 ASN C C 1 ATOM 4957 O O . ASN B 1 309 ? -8.127 -30.945 18.811 1.00 27.07 ? 448 ASN C O 1 ATOM 4958 C CB . ASN B 1 309 ? -7.191 -30.129 21.522 1.00 31.91 ? 448 ASN C CB 1 ATOM 4959 C CG . ASN B 1 309 ? -6.416 -29.960 22.812 1.00 34.12 ? 448 ASN C CG 1 ATOM 4960 O OD1 . ASN B 1 309 ? -5.888 -30.924 23.367 1.00 35.15 ? 448 ASN C OD1 1 ATOM 4961 N ND2 . ASN B 1 309 ? -6.357 -28.727 23.304 1.00 44.19 ? 448 ASN C ND2 1 ATOM 4962 N N . ILE B 1 310 ? -8.498 -32.863 19.917 1.00 27.60 ? 449 ILE C N 1 ATOM 4963 C CA . ILE B 1 310 ? -9.669 -33.194 19.117 1.00 31.46 ? 449 ILE C CA 1 ATOM 4964 C C . ILE B 1 310 ? -10.872 -32.478 19.717 1.00 32.75 ? 449 ILE C C 1 ATOM 4965 O O . ILE B 1 310 ? -11.326 -32.818 20.810 1.00 34.76 ? 449 ILE C O 1 ATOM 4966 C CB . ILE B 1 310 ? -9.932 -34.707 19.076 1.00 32.59 ? 449 ILE C CB 1 ATOM 4967 C CG1 . ILE B 1 310 ? -8.732 -35.440 18.473 1.00 30.23 ? 449 ILE C CG1 1 ATOM 4968 C CG2 . ILE B 1 310 ? -11.190 -35.003 18.272 1.00 31.75 ? 449 ILE C CG2 1 ATOM 4969 C CD1 . ILE B 1 310 ? -8.804 -36.949 18.616 1.00 29.81 ? 449 ILE C CD1 1 ATOM 4970 N N . THR B 1 311 ? -11.374 -31.477 19.003 1.00 30.26 ? 450 THR C N 1 ATOM 4971 C CA . THR B 1 311 ? -12.448 -30.635 19.516 1.00 34.11 ? 450 THR C CA 1 ATOM 4972 C C . THR B 1 311 ? -13.746 -30.845 18.745 1.00 32.59 ? 450 THR C C 1 ATOM 4973 O O . THR B 1 311 ? -14.796 -30.327 19.123 1.00 29.80 ? 450 THR C O 1 ATOM 4974 C CB . THR B 1 311 ? -12.064 -29.145 19.458 1.00 32.10 ? 450 THR C CB 1 ATOM 4975 O OG1 . THR B 1 311 ? -11.826 -28.761 18.098 1.00 30.94 ? 450 THR C OG1 1 ATOM 4976 C CG2 . THR B 1 311 ? -10.808 -28.888 20.278 1.00 36.60 ? 450 THR C CG2 1 ATOM 4977 N N . GLY B 1 312 ? -13.667 -31.610 17.663 1.00 30.52 ? 451 GLY C N 1 ATOM 4978 C CA . GLY B 1 312 ? -14.828 -31.860 16.833 1.00 32.11 ? 451 GLY C CA 1 ATOM 4979 C C . GLY B 1 312 ? -14.681 -33.103 15.982 1.00 37.06 ? 451 GLY C C 1 ATOM 4980 O O . GLY B 1 312 ? -13.572 -33.588 15.758 1.00 28.59 ? 451 GLY C O 1 ATOM 4981 N N . ILE B 1 313 ? -15.811 -33.624 15.514 1.00 36.67 ? 452 ILE C N 1 ATOM 4982 C CA . ILE B 1 313 ? -15.826 -34.812 14.670 1.00 35.33 ? 452 ILE C CA 1 ATOM 4983 C C . ILE B 1 313 ? -16.746 -34.597 13.473 1.00 39.99 ? 452 ILE C C 1 ATOM 4984 O O . ILE B 1 313 ? -17.877 -34.134 13.627 1.00 38.07 ? 452 ILE C O 1 ATOM 4985 C CB . ILE B 1 313 ? -16.318 -36.055 15.443 1.00 39.26 ? 452 ILE C CB 1 ATOM 4986 C CG1 . ILE B 1 313 ? -15.510 -36.257 16.728 1.00 31.33 ? 452 ILE C CG1 1 ATOM 4987 C CG2 . ILE B 1 313 ? -16.240 -37.297 14.567 1.00 39.01 ? 452 ILE C CG2 1 ATOM 4988 C CD1 . ILE B 1 313 ? -15.995 -37.413 17.574 1.00 45.29 ? 452 ILE C CD1 1 ATOM 4989 N N . LEU B 1 314 ? -16.256 -34.928 12.283 1.00 30.48 ? 453 LEU C N 1 ATOM 4990 C CA . LEU B 1 314 ? -17.072 -34.862 11.076 1.00 31.57 ? 453 LEU C CA 1 ATOM 4991 C C . LEU B 1 314 ? -17.656 -36.236 10.763 1.00 39.20 ? 453 LEU C C 1 ATOM 4992 O O . LEU B 1 314 ? -16.922 -37.215 10.629 1.00 42.27 ? 453 LEU C O 1 ATOM 4993 C CB . LEU B 1 314 ? -16.243 -34.356 9.895 1.00 37.91 ? 453 LEU C CB 1 ATOM 4994 C CG . LEU B 1 314 ? -15.688 -32.936 10.033 1.00 40.25 ? 453 LEU C CG 1 ATOM 4995 C CD1 . LEU B 1 314 ? -14.792 -32.587 8.856 1.00 42.48 ? 453 LEU C CD1 1 ATOM 4996 C CD2 . LEU B 1 314 ? -16.822 -31.930 10.162 1.00 42.60 ? 453 LEU C CD2 1 ATOM 4997 N N . LEU B 1 315 ? -18.979 -36.304 10.650 1.00 41.72 ? 454 LEU C N 1 ATOM 4998 C CA . LEU B 1 315 ? -19.658 -37.576 10.428 1.00 39.07 ? 454 LEU C CA 1 ATOM 4999 C C . LEU B 1 315 ? -20.602 -37.537 9.231 1.00 39.82 ? 454 LEU C C 1 ATOM 5000 O O . LEU B 1 315 ? -21.126 -36.484 8.870 1.00 40.32 ? 454 LEU C O 1 ATOM 5001 C CB . LEU B 1 315 ? -20.442 -37.990 11.676 1.00 43.63 ? 454 LEU C CB 1 ATOM 5002 C CG . LEU B 1 315 ? -19.649 -38.330 12.939 1.00 51.11 ? 454 LEU C CG 1 ATOM 5003 C CD1 . LEU B 1 315 ? -20.597 -38.636 14.088 1.00 42.38 ? 454 LEU C CD1 1 ATOM 5004 C CD2 . LEU B 1 315 ? -18.714 -39.502 12.685 1.00 44.47 ? 454 LEU C CD2 1 ATOM 5005 N N . THR B 1 316 ? -20.813 -38.702 8.627 1.00 41.62 ? 455 THR C N 1 ATOM 5006 C CA . THR B 1 316 ? -21.799 -38.860 7.565 1.00 47.13 ? 455 THR C CA 1 ATOM 5007 C C . THR B 1 316 ? -22.680 -40.066 7.873 1.00 49.28 ? 455 THR C C 1 ATOM 5008 O O . THR B 1 316 ? -22.182 -41.173 8.077 1.00 52.57 ? 455 THR C O 1 ATOM 5009 C CB . THR B 1 316 ? -21.134 -39.053 6.191 1.00 46.56 ? 455 THR C CB 1 ATOM 5010 O OG1 . THR B 1 316 ? -20.332 -37.907 5.880 1.00 56.23 ? 455 THR C OG1 1 ATOM 5011 C CG2 . THR B 1 316 ? -22.190 -39.234 5.111 1.00 48.53 ? 455 THR C CG2 1 ATOM 5012 N N . ARG B 1 317 ? -23.990 -39.844 7.913 1.00 54.16 ? 456 ARG C N 1 ATOM 5013 C CA . ARG B 1 317 ? -24.936 -40.898 8.263 1.00 52.84 ? 456 ARG C CA 1 ATOM 5014 C C . ARG B 1 317 ? -25.381 -41.689 7.036 1.00 57.41 ? 456 ARG C C 1 ATOM 5015 O O . ARG B 1 317 ? -25.650 -41.115 5.981 1.00 54.91 ? 456 ARG C O 1 ATOM 5016 C CB . ARG B 1 317 ? -26.149 -40.301 8.981 1.00 53.77 ? 456 ARG C CB 1 ATOM 5017 C CG . ARG B 1 317 ? -27.169 -41.323 9.453 1.00 63.09 ? 456 ARG C CG 1 ATOM 5018 C CD . ARG B 1 317 ? -28.267 -40.660 10.268 1.00 64.38 ? 456 ARG C CD 1 ATOM 5019 N NE . ARG B 1 317 ? -28.954 -39.614 9.516 1.00 61.92 ? 456 ARG C NE 1 ATOM 5020 C CZ . ARG B 1 317 ? -30.039 -39.816 8.775 1.00 68.20 ? 456 ARG C CZ 1 ATOM 5021 N NH1 . ARG B 1 317 ? -30.567 -41.029 8.685 1.00 70.19 ? 456 ARG C NH1 1 ATOM 5022 N NH2 . ARG B 1 317 ? -30.598 -38.804 8.125 1.00 65.75 ? 456 ARG C NH2 1 ATOM 5023 N N . ASP B 1 318 ? -25.452 -43.010 7.182 1.00 56.69 ? 457 ASP C N 1 ATOM 5024 C CA . ASP B 1 318 ? -25.867 -43.887 6.091 1.00 65.90 ? 457 ASP C CA 1 ATOM 5025 C C . ASP B 1 318 ? -27.338 -43.706 5.732 1.00 68.28 ? 457 ASP C C 1 ATOM 5026 O O . ASP B 1 318 ? -28.173 -43.442 6.598 1.00 64.64 ? 457 ASP C O 1 ATOM 5027 C CB . ASP B 1 318 ? -25.603 -45.352 6.448 1.00 71.05 ? 457 ASP C CB 1 ATOM 5028 C CG . ASP B 1 318 ? -24.167 -45.764 6.200 1.00 70.05 ? 457 ASP C CG 1 ATOM 5029 O OD1 . ASP B 1 318 ? -23.285 -44.880 6.199 1.00 67.06 ? 457 ASP C OD1 1 ATOM 5030 O OD2 . ASP B 1 318 ? -23.922 -46.973 6.005 1.00 67.62 ? 457 ASP C OD2 1 ATOM 5031 N N . GLY B 1 319 ? -27.646 -43.854 4.448 1.00 74.04 ? 458 GLY C N 1 ATOM 5032 C CA . GLY B 1 319 ? -29.017 -43.782 3.978 1.00 79.21 ? 458 GLY C CA 1 ATOM 5033 C C . GLY B 1 319 ? -29.643 -45.160 3.891 1.00 84.21 ? 458 GLY C C 1 ATOM 5034 O O . GLY B 1 319 ? -28.940 -46.171 3.904 1.00 82.68 ? 458 GLY C O 1 ATOM 5035 N N . GLY B 1 320 ? -30.968 -45.201 3.803 1.00 87.81 ? 459 GLY C N 1 ATOM 5036 C CA . GLY B 1 320 ? -31.688 -46.458 3.726 1.00 94.16 ? 459 GLY C CA 1 ATOM 5037 C C . GLY B 1 320 ? -31.632 -47.236 5.027 1.00 100.27 ? 459 GLY C C 1 ATOM 5038 O O . GLY B 1 320 ? -31.307 -48.423 5.038 1.00 103.31 ? 459 GLY C O 1 ATOM 5039 N N . ALA B 1 321 ? -31.950 -46.561 6.127 1.00 102.36 ? 460 ALA C N 1 ATOM 5040 C CA . ALA B 1 321 ? -31.928 -47.188 7.444 1.00 105.54 ? 460 ALA C CA 1 ATOM 5041 C C . ALA B 1 321 ? -33.200 -46.874 8.224 1.00 107.35 ? 460 ALA C C 1 ATOM 5042 O O . ALA B 1 321 ? -33.304 -47.184 9.411 1.00 109.47 ? 460 ALA C O 1 ATOM 5043 C CB . ALA B 1 321 ? -30.702 -46.742 8.223 1.00 99.57 ? 460 ALA C CB 1 ATOM 5044 N N . ASN B 1 322 ? -34.165 -46.260 7.549 1.00 104.89 ? 461 ASN C N 1 ATOM 5045 C CA . ASN B 1 322 ? -35.434 -45.906 8.175 1.00 106.20 ? 461 ASN C CA 1 ATOM 5046 C C . ASN B 1 322 ? -36.347 -47.111 8.395 1.00 102.58 ? 461 ASN C C 1 ATOM 5047 O O . ASN B 1 322 ? -37.383 -47.005 9.051 1.00 106.51 ? 461 ASN C O 1 ATOM 5048 C CB . ASN B 1 322 ? -36.151 -44.824 7.362 1.00 114.24 ? 461 ASN C CB 1 ATOM 5049 C CG . ASN B 1 322 ? -35.879 -44.937 5.874 1.00 118.42 ? 461 ASN C CG 1 ATOM 5050 O OD1 . ASN B 1 322 ? -35.511 -46.001 5.377 1.00 121.96 ? 461 ASN C OD1 1 ATOM 5051 N ND2 . ASN B 1 322 ? -36.052 -43.833 5.156 1.00 115.99 ? 461 ASN C ND2 1 ATOM 5052 N N . ASN B 1 323 ? -35.953 -48.255 7.844 1.00 97.63 ? 462 ASN C N 1 ATOM 5053 C CA . ASN B 1 323 ? -36.685 -49.500 8.049 1.00 102.63 ? 462 ASN C CA 1 ATOM 5054 C C . ASN B 1 323 ? -36.062 -50.354 9.149 1.00 100.73 ? 462 ASN C C 1 ATOM 5055 O O . ASN B 1 323 ? -36.751 -51.131 9.810 1.00 102.33 ? 462 ASN C O 1 ATOM 5056 C CB . ASN B 1 323 ? -36.764 -50.300 6.747 1.00 105.42 ? 462 ASN C CB 1 ATOM 5057 C CG . ASN B 1 323 ? -38.034 -50.022 5.968 1.00 108.68 ? 462 ASN C CG 1 ATOM 5058 O OD1 . ASN B 1 323 ? -38.962 -50.831 5.965 1.00 113.92 ? 462 ASN C OD1 1 ATOM 5059 N ND2 . ASN B 1 323 ? -38.084 -48.872 5.306 1.00 106.26 ? 462 ASN C ND2 1 ATOM 5060 N N . THR B 1 324 ? -34.756 -50.201 9.339 1.00 92.14 ? 463 THR C N 1 ATOM 5061 C CA . THR B 1 324 ? -34.031 -50.963 10.347 1.00 94.28 ? 463 THR C CA 1 ATOM 5062 C C . THR B 1 324 ? -34.063 -50.233 11.688 1.00 95.58 ? 463 THR C C 1 ATOM 5063 O O . THR B 1 324 ? -34.526 -49.096 11.774 1.00 97.98 ? 463 THR C O 1 ATOM 5064 C CB . THR B 1 324 ? -32.567 -51.199 9.923 1.00 89.82 ? 463 THR C CB 1 ATOM 5065 O OG1 . THR B 1 324 ? -32.468 -51.161 8.494 1.00 89.83 ? 463 THR C OG1 1 ATOM 5066 C CG2 . THR B 1 324 ? -32.067 -52.548 10.427 1.00 89.20 ? 463 THR C CG2 1 ATOM 5067 N N . SER B 1 325 ? -33.573 -50.893 12.733 1.00 94.29 ? 464 SER C N 1 ATOM 5068 C CA . SER B 1 325 ? -33.541 -50.305 14.067 1.00 95.48 ? 464 SER C CA 1 ATOM 5069 C C . SER B 1 325 ? -32.192 -49.654 14.352 1.00 91.12 ? 464 SER C C 1 ATOM 5070 O O . SER B 1 325 ? -31.872 -49.346 15.501 1.00 87.41 ? 464 SER C O 1 ATOM 5071 C CB . SER B 1 325 ? -33.839 -51.371 15.124 1.00 104.27 ? 464 SER C CB 1 ATOM 5072 O OG . SER B 1 325 ? -33.721 -50.840 16.432 1.00 106.90 ? 464 SER C OG 1 ATOM 5073 N N . ASN B 1 326 ? -31.407 -49.441 13.302 1.00 88.46 ? 465 ASN C N 1 ATOM 5074 C CA . ASN B 1 326 ? -30.065 -48.892 13.454 1.00 86.14 ? 465 ASN C CA 1 ATOM 5075 C C . ASN B 1 326 ? -29.864 -47.571 12.721 1.00 79.04 ? 465 ASN C C 1 ATOM 5076 O O . ASN B 1 326 ? -30.596 -47.245 11.787 1.00 74.76 ? 465 ASN C O 1 ATOM 5077 C CB . ASN B 1 326 ? -29.020 -49.900 12.970 1.00 90.53 ? 465 ASN C CB 1 ATOM 5078 C CG . ASN B 1 326 ? -29.111 -51.229 13.692 1.00 100.98 ? 465 ASN C CG 1 ATOM 5079 O OD1 . ASN B 1 326 ? -29.440 -51.285 14.877 1.00 105.27 ? 465 ASN C OD1 1 ATOM 5080 N ND2 . ASN B 1 326 ? -28.820 -52.310 12.978 1.00 105.41 ? 465 ASN C ND2 1 ATOM 5081 N N . GLU B 1 327 ? -28.865 -46.815 13.163 1.00 77.93 ? 466 GLU C N 1 ATOM 5082 C CA . GLU B 1 327 ? -28.409 -45.629 12.450 1.00 78.38 ? 466 GLU C CA 1 ATOM 5083 C C . GLU B 1 327 ? -26.886 -45.630 12.410 1.00 72.17 ? 466 GLU C C 1 ATOM 5084 O O . GLU B 1 327 ? -26.227 -45.546 13.447 1.00 72.26 ? 466 GLU C O 1 ATOM 5085 C CB . GLU B 1 327 ? -28.934 -44.349 13.104 1.00 77.39 ? 466 GLU C CB 1 ATOM 5086 C CG . GLU B 1 327 ? -30.416 -44.089 12.866 1.00 80.57 ? 466 GLU C CG 1 ATOM 5087 C CD . GLU B 1 327 ? -30.747 -43.838 11.403 1.00 76.65 ? 466 GLU C CD 1 ATOM 5088 O OE1 . GLU B 1 327 ? -29.839 -43.448 10.638 1.00 66.40 ? 466 GLU C OE1 1 ATOM 5089 O OE2 . GLU B 1 327 ? -31.919 -44.033 11.017 1.00 80.56 ? 466 GLU C OE2 1 ATOM 5090 N N . THR B 1 328 ? -26.333 -45.734 11.206 1.00 65.96 ? 467 THR C N 1 ATOM 5091 C CA . THR B 1 328 ? -24.896 -45.910 11.030 1.00 62.87 ? 467 THR C CA 1 ATOM 5092 C C . THR B 1 328 ? -24.184 -44.610 10.661 1.00 62.23 ? 467 THR C C 1 ATOM 5093 O O . THR B 1 328 ? -24.611 -43.890 9.759 1.00 56.89 ? 467 THR C O 1 ATOM 5094 C CB . THR B 1 328 ? -24.600 -46.976 9.957 1.00 60.39 ? 467 THR C CB 1 ATOM 5095 O OG1 . THR B 1 328 ? -25.168 -48.229 10.359 1.00 70.04 ? 467 THR C OG1 1 ATOM 5096 C CG2 . THR B 1 328 ? -23.104 -47.144 9.762 1.00 57.67 ? 467 THR C CG2 1 ATOM 5097 N N . PHE B 1 329 ? -23.094 -44.322 11.366 1.00 52.80 ? 468 PHE C N 1 ATOM 5098 C CA . PHE B 1 329 ? -22.313 -43.116 11.120 1.00 49.54 ? 468 PHE C CA 1 ATOM 5099 C C . PHE B 1 329 ? -20.873 -43.457 10.749 1.00 47.47 ? 468 PHE C C 1 ATOM 5100 O O . PHE B 1 329 ? -20.278 -44.378 11.309 1.00 51.04 ? 468 PHE C O 1 ATOM 5101 C CB . PHE B 1 329 ? -22.337 -42.205 12.350 1.00 48.25 ? 468 PHE C CB 1 ATOM 5102 C CG . PHE B 1 329 ? -23.717 -41.773 12.757 1.00 53.47 ? 468 PHE C CG 1 ATOM 5103 C CD1 . PHE B 1 329 ? -24.477 -42.551 13.615 1.00 59.00 ? 468 PHE C CD1 1 ATOM 5104 C CD2 . PHE B 1 329 ? -24.253 -40.587 12.284 1.00 51.42 ? 468 PHE C CD2 1 ATOM 5105 C CE1 . PHE B 1 329 ? -25.747 -42.157 13.991 1.00 56.10 ? 468 PHE C CE1 1 ATOM 5106 C CE2 . PHE B 1 329 ? -25.522 -40.186 12.658 1.00 54.15 ? 468 PHE C CE2 1 ATOM 5107 C CZ . PHE B 1 329 ? -26.269 -40.972 13.512 1.00 56.40 ? 468 PHE C CZ 1 ATOM 5108 N N . ARG B 1 330 ? -20.321 -42.711 9.799 1.00 45.61 ? 469 ARG C N 1 ATOM 5109 C CA . ARG B 1 330 ? -18.946 -42.915 9.358 1.00 43.70 ? 469 ARG C CA 1 ATOM 5110 C C . ARG B 1 330 ? -18.198 -41.587 9.373 1.00 43.35 ? 469 ARG C C 1 ATOM 5111 O O . ARG B 1 330 ? -18.774 -40.548 9.053 1.00 49.13 ? 469 ARG C O 1 ATOM 5112 C CB . ARG B 1 330 ? -18.921 -43.517 7.950 1.00 52.50 ? 469 ARG C CB 1 ATOM 5113 C CG . ARG B 1 330 ? -19.752 -44.784 7.797 1.00 48.19 ? 469 ARG C CG 1 ATOM 5114 C CD . ARG B 1 330 ? -19.812 -45.241 6.347 1.00 49.54 ? 469 ARG C CD 1 ATOM 5115 N NE . ARG B 1 330 ? -20.792 -46.307 6.150 1.00 54.53 ? 469 ARG C NE 1 ATOM 5116 C CZ . ARG B 1 330 ? -20.494 -47.603 6.106 1.00 54.71 ? 469 ARG C CZ 1 ATOM 5117 N NH1 . ARG B 1 330 ? -19.237 -48.003 6.240 1.00 53.13 ? 469 ARG C NH1 1 ATOM 5118 N NH2 . ARG B 1 330 ? -21.455 -48.499 5.924 1.00 58.13 ? 469 ARG C NH2 1 ATOM 5119 N N . PRO B 1 331 ? -16.910 -41.614 9.752 1.00 38.77 ? 470 PRO C N 1 ATOM 5120 C CA . PRO B 1 331 ? -16.106 -40.386 9.782 1.00 42.39 ? 470 PRO C CA 1 ATOM 5121 C C . PRO B 1 331 ? -15.951 -39.781 8.389 1.00 56.28 ? 470 PRO C C 1 ATOM 5122 O O . PRO B 1 331 ? -15.298 -40.369 7.527 1.00 61.08 ? 470 PRO C O 1 ATOM 5123 C CB . PRO B 1 331 ? -14.751 -40.863 10.319 1.00 41.92 ? 470 PRO C CB 1 ATOM 5124 C CG . PRO B 1 331 ? -14.720 -42.331 10.052 1.00 37.26 ? 470 PRO C CG 1 ATOM 5125 C CD . PRO B 1 331 ? -16.138 -42.793 10.178 1.00 45.24 ? 470 PRO C CD 1 ATOM 5126 N N . GLY B 1 332 ? -16.558 -38.617 8.180 1.00 71.46 ? 471 GLY C N 1 ATOM 5127 C CA . GLY B 1 332 ? -16.547 -37.971 6.880 1.00 76.81 ? 471 GLY C CA 1 ATOM 5128 C C . GLY B 1 332 ? -15.298 -37.152 6.628 1.00 81.22 ? 471 GLY C C 1 ATOM 5129 O O . GLY B 1 332 ? -14.186 -37.680 6.628 1.00 84.29 ? 471 GLY C O 1 ATOM 5130 N N . GLY B 1 333 ? -15.482 -35.854 6.411 1.00 82.23 ? 472 GLY C N 1 ATOM 5131 C CA . GLY B 1 333 ? -14.372 -34.963 6.132 1.00 78.38 ? 472 GLY C CA 1 ATOM 5132 C C . GLY B 1 333 ? -14.123 -34.813 4.644 1.00 77.37 ? 472 GLY C C 1 ATOM 5133 O O . GLY B 1 333 ? -14.649 -35.579 3.837 1.00 70.67 ? 472 GLY C O 1 ATOM 5134 N N . GLY B 1 334 ? -13.319 -33.820 4.280 1.00 71.17 ? 473 GLY C N 1 ATOM 5135 C CA . GLY B 1 334 ? -13.003 -33.574 2.886 1.00 72.22 ? 473 GLY C CA 1 ATOM 5136 C C . GLY B 1 334 ? -13.387 -32.177 2.448 1.00 77.30 ? 473 GLY C C 1 ATOM 5137 O O . GLY B 1 334 ? -12.539 -31.403 2.005 1.00 86.52 ? 473 GLY C O 1 ATOM 5138 N N . ASN B 1 335 ? -14.673 -31.859 2.556 1.00 67.25 ? 474 ASN C N 1 ATOM 5139 C CA . ASN B 1 335 ? -15.138 -30.507 2.287 1.00 54.11 ? 474 ASN C CA 1 ATOM 5140 C C . ASN B 1 335 ? -14.544 -29.572 3.330 1.00 37.98 ? 474 ASN C C 1 ATOM 5141 O O . ASN B 1 335 ? -15.115 -29.378 4.403 1.00 33.75 ? 474 ASN C O 1 ATOM 5142 C CB . ASN B 1 335 ? -16.665 -30.442 2.314 1.00 60.49 ? 474 ASN C CB 1 ATOM 5143 C CG . ASN B 1 335 ? -17.204 -29.163 1.704 1.00 72.35 ? 474 ASN C CG 1 ATOM 5144 O OD1 . ASN B 1 335 ? -16.562 -28.549 0.852 1.00 69.15 ? 474 ASN C OD1 1 ATOM 5145 N ND2 . ASN B 1 335 ? -18.391 -28.754 2.137 1.00 82.22 ? 474 ASN C ND2 1 ATOM 5146 N N . ILE B 1 336 ? -13.384 -29.007 3.007 1.00 33.32 ? 475 ILE C N 1 ATOM 5147 C CA . ILE B 1 336 ? -12.596 -28.230 3.961 1.00 32.66 ? 475 ILE C CA 1 ATOM 5148 C C . ILE B 1 336 ? -13.359 -27.027 4.523 1.00 35.58 ? 475 ILE C C 1 ATOM 5149 O O . ILE B 1 336 ? -13.077 -26.566 5.629 1.00 35.91 ? 475 ILE C O 1 ATOM 5150 C CB . ILE B 1 336 ? -11.245 -27.795 3.340 1.00 36.46 ? 475 ILE C CB 1 ATOM 5151 C CG1 . ILE B 1 336 ? -10.488 -29.020 2.824 1.00 43.23 ? 475 ILE C CG1 1 ATOM 5152 C CG2 . ILE B 1 336 ? -10.382 -27.060 4.350 1.00 37.08 ? 475 ILE C CG2 1 ATOM 5153 C CD1 . ILE B 1 336 ? -10.210 -30.060 3.894 1.00 40.97 ? 475 ILE C CD1 1 ATOM 5154 N N . LYS B 1 337 ? -14.343 -26.537 3.776 1.00 29.51 ? 476 LYS C N 1 ATOM 5155 C CA . LYS B 1 337 ? -15.168 -25.434 4.260 1.00 29.94 ? 476 LYS C CA 1 ATOM 5156 C C . LYS B 1 337 ? -15.920 -25.795 5.544 1.00 32.30 ? 476 LYS C C 1 ATOM 5157 O O . LYS B 1 337 ? -16.238 -24.920 6.348 1.00 32.85 ? 476 LYS C O 1 ATOM 5158 C CB . LYS B 1 337 ? -16.136 -24.949 3.179 1.00 33.01 ? 476 LYS C CB 1 ATOM 5159 C CG . LYS B 1 337 ? -15.462 -24.161 2.065 1.00 32.38 ? 476 LYS C CG 1 ATOM 5160 C CD . LYS B 1 337 ? -16.476 -23.393 1.230 1.00 43.17 ? 476 LYS C CD 1 ATOM 5161 C CE . LYS B 1 337 ? -17.444 -24.330 0.532 1.00 58.92 ? 476 LYS C CE 1 ATOM 5162 N NZ . LYS B 1 337 ? -16.742 -25.261 -0.393 1.00 68.72 ? 476 LYS C NZ 1 ATOM 5163 N N . ASP B 1 338 ? -16.192 -27.085 5.734 1.00 32.51 ? 477 ASP C N 1 ATOM 5164 C CA . ASP B 1 338 ? -16.833 -27.562 6.958 1.00 33.85 ? 477 ASP C CA 1 ATOM 5165 C C . ASP B 1 338 ? -15.972 -27.270 8.185 1.00 27.69 ? 477 ASP C C 1 ATOM 5166 O O . ASP B 1 338 ? -16.493 -27.020 9.273 1.00 35.85 ? 477 ASP C O 1 ATOM 5167 C CB . ASP B 1 338 ? -17.121 -29.064 6.876 1.00 42.48 ? 477 ASP C CB 1 ATOM 5168 C CG . ASP B 1 338 ? -18.187 -29.400 5.852 1.00 52.41 ? 477 ASP C CG 1 ATOM 5169 O OD1 . ASP B 1 338 ? -19.088 -28.564 5.631 1.00 61.70 ? 477 ASP C OD1 1 ATOM 5170 O OD2 . ASP B 1 338 ? -18.127 -30.504 5.271 1.00 51.27 ? 477 ASP C OD2 1 ATOM 5171 N N . ASN B 1 339 ? -14.655 -27.310 8.006 1.00 28.14 ? 478 ASN C N 1 ATOM 5172 C CA . ASN B 1 339 ? -13.732 -26.988 9.087 1.00 28.27 ? 478 ASN C CA 1 ATOM 5173 C C . ASN B 1 339 ? -13.910 -25.557 9.580 1.00 32.58 ? 478 ASN C C 1 ATOM 5174 O O . ASN B 1 339 ? -13.874 -25.298 10.782 1.00 32.23 ? 478 ASN C O 1 ATOM 5175 C CB . ASN B 1 339 ? -12.282 -27.208 8.654 1.00 28.23 ? 478 ASN C CB 1 ATOM 5176 C CG . ASN B 1 339 ? -11.987 -28.655 8.318 1.00 34.71 ? 478 ASN C CG 1 ATOM 5177 O OD1 . ASN B 1 339 ? -12.813 -29.347 7.722 1.00 48.23 ? 478 ASN C OD1 1 ATOM 5178 N ND2 . ASN B 1 339 ? -10.807 -29.124 8.709 1.00 28.03 ? 478 ASN C ND2 1 ATOM 5179 N N . TRP B 1 340 ? -14.104 -24.630 8.647 1.00 31.36 ? 479 TRP C N 1 ATOM 5180 C CA . TRP B 1 340 ? -14.268 -23.230 9.012 1.00 24.82 ? 479 TRP C CA 1 ATOM 5181 C C . TRP B 1 340 ? -15.646 -22.982 9.615 1.00 26.41 ? 479 TRP C C 1 ATOM 5182 O O . TRP B 1 340 ? -15.803 -22.126 10.487 1.00 32.63 ? 479 TRP C O 1 ATOM 5183 C CB . TRP B 1 340 ? -14.021 -22.309 7.810 1.00 25.97 ? 479 TRP C CB 1 ATOM 5184 C CG . TRP B 1 340 ? -12.905 -22.747 6.883 1.00 27.37 ? 479 TRP C CG 1 ATOM 5185 C CD1 . TRP B 1 340 ? -12.922 -22.707 5.517 1.00 25.91 ? 479 TRP C CD1 1 ATOM 5186 C CD2 . TRP B 1 340 ? -11.624 -23.290 7.249 1.00 25.44 ? 479 TRP C CD2 1 ATOM 5187 N NE1 . TRP B 1 340 ? -11.737 -23.183 5.012 1.00 25.77 ? 479 TRP C NE1 1 ATOM 5188 C CE2 . TRP B 1 340 ? -10.924 -23.550 6.054 1.00 28.09 ? 479 TRP C CE2 1 ATOM 5189 C CE3 . TRP B 1 340 ? -11.001 -23.581 8.470 1.00 27.29 ? 479 TRP C CE3 1 ATOM 5190 C CZ2 . TRP B 1 340 ? -9.637 -24.084 6.041 1.00 25.00 ? 479 TRP C CZ2 1 ATOM 5191 C CZ3 . TRP B 1 340 ? -9.725 -24.114 8.455 1.00 27.71 ? 479 TRP C CZ3 1 ATOM 5192 C CH2 . TRP B 1 340 ? -9.056 -24.360 7.249 1.00 24.44 ? 479 TRP C CH2 1 ATOM 5193 N N . ARG B 1 341 ? -16.639 -23.740 9.157 1.00 31.82 ? 480 ARG C N 1 ATOM 5194 C CA . ARG B 1 341 ? -17.994 -23.636 9.693 1.00 34.03 ? 480 ARG C CA 1 ATOM 5195 C C . ARG B 1 341 ? -18.045 -24.008 11.167 1.00 33.95 ? 480 ARG C C 1 ATOM 5196 O O . ARG B 1 341 ? -18.854 -23.471 11.923 1.00 38.21 ? 480 ARG C O 1 ATOM 5197 C CB . ARG B 1 341 ? -18.959 -24.533 8.918 1.00 32.72 ? 480 ARG C CB 1 ATOM 5198 C CG . ARG B 1 341 ? -19.137 -24.146 7.465 1.00 36.50 ? 480 ARG C CG 1 ATOM 5199 C CD . ARG B 1 341 ? -20.382 -24.787 6.877 1.00 34.96 ? 480 ARG C CD 1 ATOM 5200 N NE . ARG B 1 341 ? -20.356 -24.779 5.417 1.00 42.70 ? 480 ARG C NE 1 ATOM 5201 C CZ . ARG B 1 341 ? -20.724 -23.744 4.668 1.00 48.18 ? 480 ARG C CZ 1 ATOM 5202 N NH1 . ARG B 1 341 ? -21.148 -22.623 5.240 1.00 38.91 ? 480 ARG C NH1 1 ATOM 5203 N NH2 . ARG B 1 341 ? -20.664 -23.832 3.348 1.00 60.04 ? 480 ARG C NH2 1 ATOM 5204 N N . SER B 1 342 ? -17.179 -24.933 11.569 1.00 31.61 ? 481 SER C N 1 ATOM 5205 C CA . SER B 1 342 ? -17.157 -25.412 12.946 1.00 27.94 ? 481 SER C CA 1 ATOM 5206 C C . SER B 1 342 ? -16.731 -24.321 13.925 1.00 29.02 ? 481 SER C C 1 ATOM 5207 O O . SER B 1 342 ? -16.925 -24.452 15.134 1.00 32.93 ? 481 SER C O 1 ATOM 5208 C CB . SER B 1 342 ? -16.239 -26.630 13.079 1.00 29.90 ? 481 SER C CB 1 ATOM 5209 O OG . SER B 1 342 ? -14.890 -26.288 12.811 1.00 32.36 ? 481 SER C OG 1 ATOM 5210 N N . GLU B 1 343 ? -16.152 -23.246 13.399 1.00 29.28 ? 482 GLU C N 1 ATOM 5211 C CA . GLU B 1 343 ? -15.724 -22.125 14.228 1.00 32.98 ? 482 GLU C CA 1 ATOM 5212 C C . GLU B 1 343 ? -16.522 -20.854 13.941 1.00 31.05 ? 482 GLU C C 1 ATOM 5213 O O . GLU B 1 343 ? -16.706 -20.018 14.825 1.00 32.90 ? 482 GLU C O 1 ATOM 5214 C CB . GLU B 1 343 ? -14.230 -21.860 14.036 1.00 36.59 ? 482 GLU C CB 1 ATOM 5215 C CG . GLU B 1 343 ? -13.335 -23.010 14.470 1.00 37.73 ? 482 GLU C CG 1 ATOM 5216 C CD . GLU B 1 343 ? -13.396 -23.266 15.964 1.00 40.12 ? 482 GLU C CD 1 ATOM 5217 O OE1 . GLU B 1 343 ? -13.613 -22.301 16.727 1.00 43.60 ? 482 GLU C OE1 1 ATOM 5218 O OE2 . GLU B 1 343 ? -13.230 -24.434 16.376 1.00 40.64 ? 482 GLU C OE2 1 ATOM 5219 N N . LEU B 1 344 ? -16.998 -20.717 12.707 1.00 27.07 ? 483 LEU C N 1 ATOM 5220 C CA . LEU B 1 344 ? -17.693 -19.506 12.277 1.00 27.02 ? 483 LEU C CA 1 ATOM 5221 C C . LEU B 1 344 ? -19.209 -19.604 12.430 1.00 33.96 ? 483 LEU C C 1 ATOM 5222 O O . LEU B 1 344 ? -19.939 -18.713 11.996 1.00 36.84 ? 483 LEU C O 1 ATOM 5223 C CB . LEU B 1 344 ? -17.347 -19.187 10.819 1.00 27.35 ? 483 LEU C CB 1 ATOM 5224 C CG . LEU B 1 344 ? -15.903 -18.787 10.514 1.00 26.80 ? 483 LEU C CG 1 ATOM 5225 C CD1 . LEU B 1 344 ? -15.669 -18.738 9.011 1.00 29.83 ? 483 LEU C CD1 1 ATOM 5226 C CD2 . LEU B 1 344 ? -15.580 -17.445 11.148 1.00 31.65 ? 483 LEU C CD2 1 ATOM 5227 N N . TYR B 1 345 ? -19.675 -20.680 13.055 1.00 33.18 ? 484 TYR C N 1 ATOM 5228 C CA . TYR B 1 345 ? -21.106 -20.964 13.147 1.00 35.30 ? 484 TYR C CA 1 ATOM 5229 C C . TYR B 1 345 ? -21.903 -19.902 13.906 1.00 42.15 ? 484 TYR C C 1 ATOM 5230 O O . TYR B 1 345 ? -23.093 -19.716 13.654 1.00 43.37 ? 484 TYR C O 1 ATOM 5231 C CB . TYR B 1 345 ? -21.338 -22.335 13.789 1.00 31.18 ? 484 TYR C CB 1 ATOM 5232 C CG . TYR B 1 345 ? -20.916 -22.409 15.240 1.00 33.72 ? 484 TYR C CG 1 ATOM 5233 C CD1 . TYR B 1 345 ? -19.605 -22.703 15.588 1.00 35.49 ? 484 TYR C CD1 1 ATOM 5234 C CD2 . TYR B 1 345 ? -21.831 -22.184 16.262 1.00 33.38 ? 484 TYR C CD2 1 ATOM 5235 C CE1 . TYR B 1 345 ? -19.214 -22.770 16.912 1.00 36.44 ? 484 TYR C CE1 1 ATOM 5236 C CE2 . TYR B 1 345 ? -21.449 -22.246 17.589 1.00 33.84 ? 484 TYR C CE2 1 ATOM 5237 C CZ . TYR B 1 345 ? -20.140 -22.541 17.908 1.00 42.75 ? 484 TYR C CZ 1 ATOM 5238 O OH . TYR B 1 345 ? -19.756 -22.607 19.227 1.00 42.65 ? 484 TYR C OH 1 ATOM 5239 N N . LYS B 1 346 ? -21.249 -19.213 14.835 1.00 41.05 ? 485 LYS C N 1 ATOM 5240 C CA . LYS B 1 346 ? -21.946 -18.282 15.717 1.00 41.46 ? 485 LYS C CA 1 ATOM 5241 C C . LYS B 1 346 ? -21.852 -16.827 15.267 1.00 38.04 ? 485 LYS C C 1 ATOM 5242 O O . LYS B 1 346 ? -22.299 -15.926 15.976 1.00 41.18 ? 485 LYS C O 1 ATOM 5243 C CB . LYS B 1 346 ? -21.422 -18.412 17.150 1.00 36.93 ? 485 LYS C CB 1 ATOM 5244 C CG . LYS B 1 346 ? -19.943 -18.091 17.297 1.00 37.08 ? 485 LYS C CG 1 ATOM 5245 C CD . LYS B 1 346 ? -19.537 -18.016 18.760 1.00 39.80 ? 485 LYS C CD 1 ATOM 5246 C CE . LYS B 1 346 ? -19.840 -19.313 19.490 1.00 50.46 ? 485 LYS C CE 1 ATOM 5247 N NZ . LYS B 1 346 ? -19.464 -19.236 20.930 1.00 48.18 ? 485 LYS C NZ 1 ATOM 5248 N N . TYR B 1 347 ? -21.273 -16.595 14.093 1.00 36.74 ? 486 TYR C N 1 ATOM 5249 C CA . TYR B 1 347 ? -21.116 -15.235 13.589 1.00 30.76 ? 486 TYR C CA 1 ATOM 5250 C C . TYR B 1 347 ? -21.908 -14.995 12.309 1.00 34.42 ? 486 TYR C C 1 ATOM 5251 O O . TYR B 1 347 ? -22.166 -15.922 11.541 1.00 37.45 ? 486 TYR C O 1 ATOM 5252 C CB . TYR B 1 347 ? -19.642 -14.920 13.325 1.00 28.79 ? 486 TYR C CB 1 ATOM 5253 C CG . TYR B 1 347 ? -18.726 -15.127 14.509 1.00 31.57 ? 486 TYR C CG 1 ATOM 5254 C CD1 . TYR B 1 347 ? -18.703 -14.220 15.562 1.00 34.15 ? 486 TYR C CD1 1 ATOM 5255 C CD2 . TYR B 1 347 ? -17.869 -16.217 14.564 1.00 37.06 ? 486 TYR C CD2 1 ATOM 5256 C CE1 . TYR B 1 347 ? -17.861 -14.403 16.643 1.00 35.85 ? 486 TYR C CE1 1 ATOM 5257 C CE2 . TYR B 1 347 ? -17.023 -16.408 15.640 1.00 34.50 ? 486 TYR C CE2 1 ATOM 5258 C CZ . TYR B 1 347 ? -17.023 -15.498 16.676 1.00 36.10 ? 486 TYR C CZ 1 ATOM 5259 O OH . TYR B 1 347 ? -16.181 -15.684 17.747 1.00 34.04 ? 486 TYR C OH 1 ATOM 5260 N N . LYS B 1 348 ? -22.287 -13.741 12.089 1.00 35.61 ? 487 LYS C N 1 ATOM 5261 C CA . LYS B 1 348 ? -22.867 -13.325 10.819 1.00 37.46 ? 487 LYS C CA 1 ATOM 5262 C C . LYS B 1 348 ? -22.654 -11.828 10.610 1.00 44.39 ? 487 LYS C C 1 ATOM 5263 O O . LYS B 1 348 ? -22.616 -11.055 11.569 1.00 42.83 ? 487 LYS C O 1 ATOM 5264 C CB . LYS B 1 348 ? -24.354 -13.684 10.733 1.00 43.51 ? 487 LYS C CB 1 ATOM 5265 C CG . LYS B 1 348 ? -25.285 -12.753 11.488 1.00 51.87 ? 487 LYS C CG 1 ATOM 5266 C CD . LYS B 1 348 ? -26.734 -13.026 11.118 1.00 52.64 ? 487 LYS C CD 1 ATOM 5267 C CE . LYS B 1 348 ? -27.668 -11.999 11.732 1.00 56.75 ? 487 LYS C CE 1 ATOM 5268 N NZ . LYS B 1 348 ? -29.077 -12.208 11.297 1.00 60.34 ? 487 LYS C NZ 1 ATOM 5269 N N . VAL B 1 349 ? -22.504 -11.429 9.353 1.00 38.38 ? 488 VAL C N 1 ATOM 5270 C CA . VAL B 1 349 ? -22.227 -10.038 9.020 1.00 39.04 ? 488 VAL C CA 1 ATOM 5271 C C . VAL B 1 349 ? -23.513 -9.264 8.745 1.00 38.12 ? 488 VAL C C 1 ATOM 5272 O O . VAL B 1 349 ? -24.354 -9.701 7.960 1.00 51.49 ? 488 VAL C O 1 ATOM 5273 C CB . VAL B 1 349 ? -21.300 -9.934 7.791 1.00 37.33 ? 488 VAL C CB 1 ATOM 5274 C CG1 . VAL B 1 349 ? -21.068 -8.478 7.417 1.00 40.30 ? 488 VAL C CG1 1 ATOM 5275 C CG2 . VAL B 1 349 ? -19.978 -10.637 8.064 1.00 35.61 ? 488 VAL C CG2 1 ATOM 5276 N N . VAL B 1 350 ? -23.663 -8.119 9.405 1.00 44.68 ? 489 VAL C N 1 ATOM 5277 C CA . VAL B 1 350 ? -24.796 -7.234 9.154 1.00 50.49 ? 489 VAL C CA 1 ATOM 5278 C C . VAL B 1 350 ? -24.320 -5.830 8.793 1.00 49.08 ? 489 VAL C C 1 ATOM 5279 O O . VAL B 1 350 ? -23.221 -5.420 9.168 1.00 44.39 ? 489 VAL C O 1 ATOM 5280 C CB . VAL B 1 350 ? -25.754 -7.160 10.364 1.00 54.37 ? 489 VAL C CB 1 ATOM 5281 C CG1 . VAL B 1 350 ? -26.331 -8.534 10.671 1.00 43.58 ? 489 VAL C CG1 1 ATOM 5282 C CG2 . VAL B 1 350 ? -25.042 -6.588 11.579 1.00 51.27 ? 489 VAL C CG2 1 ATOM 5283 N N . GLN B 1 351 ? -25.150 -5.099 8.056 1.00 47.43 ? 490 GLN C N 1 ATOM 5284 C CA . GLN B 1 351 ? -24.805 -3.747 7.633 1.00 49.72 ? 490 GLN C CA 1 ATOM 5285 C C . GLN B 1 351 ? -25.577 -2.706 8.436 1.00 51.25 ? 490 GLN C C 1 ATOM 5286 O O . GLN B 1 351 ? -26.798 -2.785 8.554 1.00 60.31 ? 490 GLN C O 1 ATOM 5287 C CB . GLN B 1 351 ? -25.078 -3.568 6.138 1.00 52.58 ? 490 GLN C CB 1 ATOM 5288 C CG . GLN B 1 351 ? -24.676 -2.208 5.593 1.00 59.19 ? 490 GLN C CG 1 ATOM 5289 C CD . GLN B 1 351 ? -24.815 -2.117 4.086 1.00 60.18 ? 490 GLN C CD 1 ATOM 5290 O OE1 . GLN B 1 351 ? -25.488 -2.937 3.462 1.00 58.72 ? 490 GLN C OE1 1 ATOM 5291 N NE2 . GLN B 1 351 ? -24.173 -1.118 3.493 1.00 62.54 ? 490 GLN C NE2 1 ATOM 5292 N N . ILE B 1 352 ? -24.857 -1.733 8.986 1.00 58.70 ? 491 ILE C N 1 ATOM 5293 C CA . ILE B 1 352 ? -25.474 -0.670 9.773 1.00 69.42 ? 491 ILE C CA 1 ATOM 5294 C C . ILE B 1 352 ? -25.856 0.518 8.894 1.00 70.03 ? 491 ILE C C 1 ATOM 5295 O O . ILE B 1 352 ? -25.088 0.928 8.024 1.00 68.58 ? 491 ILE C O 1 ATOM 5296 C CB . ILE B 1 352 ? -24.531 -0.179 10.891 1.00 69.43 ? 491 ILE C CB 1 ATOM 5297 C CG1 . ILE B 1 352 ? -24.053 -1.354 11.744 1.00 69.24 ? 491 ILE C CG1 1 ATOM 5298 C CG2 . ILE B 1 352 ? -25.218 0.867 11.761 1.00 69.08 ? 491 ILE C CG2 1 ATOM 5299 C CD1 . ILE B 1 352 ? -23.189 -0.937 12.913 1.00 73.52 ? 491 ILE C CD1 1 ATOM 5300 N N . GLU B 1 353 ? -27.048 1.064 9.122 1.00 81.93 ? 492 GLU C N 1 ATOM 5301 C CA . GLU B 1 353 ? -27.498 2.249 8.401 1.00 90.61 ? 492 GLU C CA 1 ATOM 5302 C C . GLU B 1 353 ? -28.178 3.240 9.341 1.00 94.69 ? 492 GLU C C 1 ATOM 5303 O O . GLU B 1 353 ? -27.828 3.337 10.517 1.00 95.57 ? 492 GLU C O 1 ATOM 5304 C CB . GLU B 1 353 ? -28.448 1.866 7.262 1.00 93.63 ? 492 GLU C CB 1 ATOM 5305 C CG . GLU B 1 353 ? -29.785 1.288 7.711 1.00 99.75 ? 492 GLU C CG 1 ATOM 5306 C CD . GLU B 1 353 ? -29.728 -0.205 7.984 1.00 103.02 ? 492 GLU C CD 1 ATOM 5307 O OE1 . GLU B 1 353 ? -28.688 -0.688 8.478 1.00 103.10 ? 492 GLU C OE1 1 ATOM 5308 O OE2 . GLU B 1 353 ? -30.726 -0.898 7.697 1.00 104.37 ? 492 GLU C OE2 1 HETATM 5309 C C1 . NAG C 2 . ? 5.657 -6.826 23.558 1.00 34.45 ? 501 NAG A C1 1 HETATM 5310 C C2 . NAG C 2 . ? 5.985 -8.148 22.873 1.00 43.16 ? 501 NAG A C2 1 HETATM 5311 C C3 . NAG C 2 . ? 6.489 -7.900 21.459 1.00 51.44 ? 501 NAG A C3 1 HETATM 5312 C C4 . NAG C 2 . ? 5.521 -7.007 20.693 1.00 50.12 ? 501 NAG A C4 1 HETATM 5313 C C5 . NAG C 2 . ? 5.132 -5.771 21.499 1.00 48.01 ? 501 NAG A C5 1 HETATM 5314 C C6 . NAG C 2 . ? 4.018 -5.010 20.788 1.00 47.60 ? 501 NAG A C6 1 HETATM 5315 C C7 . NAG C 2 . ? 6.643 -10.012 24.276 1.00 41.17 ? 501 NAG A C7 1 HETATM 5316 C C8 . NAG C 2 . ? 7.732 -10.677 25.063 1.00 39.07 ? 501 NAG A C8 1 HETATM 5317 N N2 . NAG C 2 . ? 6.968 -8.889 23.641 1.00 43.82 ? 501 NAG A N2 1 HETATM 5318 O O3 . NAG C 2 . ? 6.627 -9.131 20.785 1.00 57.64 ? 501 NAG A O3 1 HETATM 5319 O O4 . NAG C 2 . ? 6.119 -6.599 19.483 1.00 45.93 ? 501 NAG A O4 1 HETATM 5320 O O5 . NAG C 2 . ? 4.697 -6.121 22.798 1.00 39.10 ? 501 NAG A O5 1 HETATM 5321 O O6 . NAG C 2 . ? 3.511 -4.008 21.641 1.00 54.67 ? 501 NAG A O6 1 HETATM 5322 O O7 . NAG C 2 . ? 5.514 -10.499 24.237 1.00 45.84 ? 501 NAG A O7 1 HETATM 5323 C C1 . NAG D 2 . ? -4.742 3.401 30.280 1.00 58.25 ? 502 NAG A C1 1 HETATM 5324 C C2 . NAG D 2 . ? -4.983 1.925 30.582 1.00 64.41 ? 502 NAG A C2 1 HETATM 5325 C C3 . NAG D 2 . ? -6.457 1.643 30.849 1.00 72.78 ? 502 NAG A C3 1 HETATM 5326 C C4 . NAG D 2 . ? -7.013 2.627 31.869 1.00 77.58 ? 502 NAG A C4 1 HETATM 5327 C C5 . NAG D 2 . ? -6.682 4.061 31.471 1.00 76.70 ? 502 NAG A C5 1 HETATM 5328 C C6 . NAG D 2 . ? -7.170 5.041 32.533 1.00 78.87 ? 502 NAG A C6 1 HETATM 5329 C C7 . NAG D 2 . ? -3.620 0.141 29.670 1.00 55.72 ? 502 NAG A C7 1 HETATM 5330 C C8 . NAG D 2 . ? -3.095 -0.526 28.434 1.00 51.38 ? 502 NAG A C8 1 HETATM 5331 N N2 . NAG D 2 . ? -4.515 1.106 29.482 1.00 55.06 ? 502 NAG A N2 1 HETATM 5332 O O3 . NAG D 2 . ? -6.607 0.327 31.332 1.00 75.96 ? 502 NAG A O3 1 HETATM 5333 O O4 . NAG D 2 . ? -8.412 2.471 31.956 1.00 79.27 ? 502 NAG A O4 1 HETATM 5334 O O5 . NAG D 2 . ? -5.289 4.217 31.297 1.00 69.28 ? 502 NAG A O5 1 HETATM 5335 O O6 . NAG D 2 . ? -6.553 4.743 33.765 1.00 85.30 ? 502 NAG A O6 1 HETATM 5336 O O7 . NAG D 2 . ? -3.231 -0.205 30.785 1.00 48.58 ? 502 NAG A O7 1 HETATM 5337 C C1 . NAG E 2 . ? 13.725 -9.880 51.446 1.00 26.56 ? 503 NAG A C1 1 HETATM 5338 C C2 . NAG E 2 . ? 15.113 -10.241 51.983 1.00 20.02 ? 503 NAG A C2 1 HETATM 5339 C C3 . NAG E 2 . ? 15.038 -10.677 53.440 1.00 21.64 ? 503 NAG A C3 1 HETATM 5340 C C4 . NAG E 2 . ? 14.332 -9.604 54.254 1.00 30.82 ? 503 NAG A C4 1 HETATM 5341 C C5 . NAG E 2 . ? 12.969 -9.310 53.636 1.00 26.79 ? 503 NAG A C5 1 HETATM 5342 C C6 . NAG E 2 . ? 12.240 -8.216 54.409 1.00 29.89 ? 503 NAG A C6 1 HETATM 5343 C C7 . NAG E 2 . ? 16.889 -11.072 50.557 1.00 23.93 ? 503 NAG A C7 1 HETATM 5344 C C8 . NAG E 2 . ? 17.433 -12.214 49.749 1.00 21.94 ? 503 NAG A C8 1 HETATM 5345 N N2 . NAG E 2 . ? 15.735 -11.281 51.187 1.00 19.89 ? 503 NAG A N2 1 HETATM 5346 O O3 . NAG E 2 . ? 16.334 -10.898 53.954 1.00 27.23 ? 503 NAG A O3 1 HETATM 5347 O O4 . NAG E 2 . ? 14.189 -10.031 55.592 1.00 27.73 ? 503 NAG A O4 1 HETATM 5348 O O5 . NAG E 2 . ? 13.115 -8.913 52.284 1.00 28.16 ? 503 NAG A O5 1 HETATM 5349 O O6 . NAG E 2 . ? 12.999 -7.029 54.370 1.00 36.54 ? 503 NAG A O6 1 HETATM 5350 O O7 . NAG E 2 . ? 17.501 -10.006 50.614 1.00 21.69 ? 503 NAG A O7 1 HETATM 5351 C C1 . NAG F 2 . ? 14.392 -13.140 16.888 1.00 22.20 ? 504 NAG A C1 1 HETATM 5352 C C2 . NAG F 2 . ? 14.853 -12.291 15.706 1.00 30.51 ? 504 NAG A C2 1 HETATM 5353 C C3 . NAG F 2 . ? 14.856 -13.087 14.405 1.00 40.46 ? 504 NAG A C3 1 HETATM 5354 C C4 . NAG F 2 . ? 15.535 -14.438 14.586 1.00 42.48 ? 504 NAG A C4 1 HETATM 5355 C C5 . NAG F 2 . ? 14.967 -15.158 15.804 1.00 35.21 ? 504 NAG A C5 1 HETATM 5356 C C6 . NAG F 2 . ? 15.659 -16.498 16.030 1.00 32.68 ? 504 NAG A C6 1 HETATM 5357 C C7 . NAG F 2 . ? 14.477 -9.891 15.670 1.00 47.93 ? 504 NAG A C7 1 HETATM 5358 C C8 . NAG F 2 . ? 13.469 -8.799 15.875 1.00 49.39 ? 504 NAG A C8 1 HETATM 5359 N N2 . NAG F 2 . ? 13.997 -11.127 15.566 1.00 39.54 ? 504 NAG A N2 1 HETATM 5360 O O3 . NAG F 2 . ? 15.531 -12.352 13.409 1.00 43.49 ? 504 NAG A O3 1 HETATM 5361 O O4 . NAG F 2 . ? 15.334 -15.224 13.432 1.00 45.11 ? 504 NAG A O4 1 HETATM 5362 O O5 . NAG F 2 . ? 15.123 -14.347 16.950 1.00 31.41 ? 504 NAG A O5 1 HETATM 5363 O O6 . NAG F 2 . ? 17.036 -16.290 16.249 1.00 41.14 ? 504 NAG A O6 1 HETATM 5364 O O7 . NAG F 2 . ? 15.677 -9.629 15.603 1.00 49.30 ? 504 NAG A O7 1 HETATM 5365 C C1 . NAG G 2 . ? -2.357 -13.392 37.921 1.00 28.24 ? 505 NAG A C1 1 HETATM 5366 C C2 . NAG G 2 . ? -3.764 -13.267 38.505 1.00 36.12 ? 505 NAG A C2 1 HETATM 5367 C C3 . NAG G 2 . ? -4.734 -14.271 37.891 1.00 44.06 ? 505 NAG A C3 1 HETATM 5368 C C4 . NAG G 2 . ? -4.639 -14.258 36.373 1.00 44.12 ? 505 NAG A C4 1 HETATM 5369 C C5 . NAG G 2 . ? -3.189 -14.414 35.938 1.00 34.25 ? 505 NAG A C5 1 HETATM 5370 C C6 . NAG G 2 . ? -3.079 -14.347 34.420 1.00 32.12 ? 505 NAG A C6 1 HETATM 5371 C C7 . NAG G 2 . ? -4.015 -12.453 40.773 1.00 50.81 ? 505 NAG A C7 1 HETATM 5372 C C8 . NAG G 2 . ? -3.830 -12.723 42.237 1.00 47.77 ? 505 NAG A C8 1 HETATM 5373 N N2 . NAG G 2 . ? -3.722 -13.450 39.943 1.00 43.23 ? 505 NAG A N2 1 HETATM 5374 O O3 . NAG G 2 . ? -6.053 -13.956 38.275 1.00 47.63 ? 505 NAG A O3 1 HETATM 5375 O O4 . NAG G 2 . ? -5.410 -15.310 35.837 1.00 40.86 ? 505 NAG A O4 1 HETATM 5376 O O5 . NAG G 2 . ? -2.392 -13.396 36.506 1.00 29.93 ? 505 NAG A O5 1 HETATM 5377 O O6 . NAG G 2 . ? -1.717 -14.335 34.061 1.00 28.63 ? 505 NAG A O6 1 HETATM 5378 O O7 . NAG G 2 . ? -4.414 -11.357 40.383 1.00 58.16 ? 505 NAG A O7 1 HETATM 5379 C C1 . NAG H 2 . ? 10.620 -19.924 58.500 1.00 34.37 ? 506 NAG A C1 1 HETATM 5380 C C2 . NAG H 2 . ? 9.415 -19.369 59.253 1.00 31.20 ? 506 NAG A C2 1 HETATM 5381 C C3 . NAG H 2 . ? 9.577 -19.598 60.749 1.00 46.29 ? 506 NAG A C3 1 HETATM 5382 C C4 . NAG H 2 . ? 9.837 -21.072 61.017 1.00 46.56 ? 506 NAG A C4 1 HETATM 5383 C C5 . NAG H 2 . ? 10.981 -21.595 60.152 1.00 50.42 ? 506 NAG A C5 1 HETATM 5384 C C6 . NAG H 2 . ? 11.126 -23.103 60.328 1.00 52.71 ? 506 NAG A C6 1 HETATM 5385 C C7 . NAG H 2 . ? 8.096 -17.520 58.430 1.00 48.78 ? 506 NAG A C7 1 HETATM 5386 C C8 . NAG H 2 . ? 7.987 -16.041 58.206 1.00 48.75 ? 506 NAG A C8 1 HETATM 5387 N N2 . NAG H 2 . ? 9.227 -17.959 58.974 1.00 37.64 ? 506 NAG A N2 1 HETATM 5388 O O3 . NAG H 2 . ? 8.410 -19.189 61.427 1.00 44.30 ? 506 NAG A O3 1 HETATM 5389 O O4 . NAG H 2 . ? 10.156 -21.249 62.379 1.00 61.03 ? 506 NAG A O4 1 HETATM 5390 O O5 . NAG H 2 . ? 10.762 -21.302 58.784 1.00 38.62 ? 506 NAG A O5 1 HETATM 5391 O O6 . NAG H 2 . ? 12.196 -23.574 59.539 1.00 60.47 ? 506 NAG A O6 1 HETATM 5392 O O7 . NAG H 2 . ? 7.170 -18.268 58.120 1.00 55.24 ? 506 NAG A O7 1 HETATM 5393 C C1 . NAG I 2 . ? -0.162 -23.155 51.903 1.00 52.63 ? 507 NAG A C1 1 HETATM 5394 C C2 . NAG I 2 . ? -0.588 -22.852 53.340 1.00 54.64 ? 507 NAG A C2 1 HETATM 5395 C C3 . NAG I 2 . ? -2.103 -22.827 53.509 1.00 66.16 ? 507 NAG A C3 1 HETATM 5396 C C4 . NAG I 2 . ? -2.767 -22.016 52.407 1.00 70.31 ? 507 NAG A C4 1 HETATM 5397 C C5 . NAG I 2 . ? -2.285 -22.487 51.043 1.00 68.82 ? 507 NAG A C5 1 HETATM 5398 C C6 . NAG I 2 . ? -2.924 -21.657 49.936 1.00 72.03 ? 507 NAG A C6 1 HETATM 5399 C C7 . NAG I 2 . ? 0.673 -23.481 55.320 1.00 47.48 ? 507 NAG A C7 1 HETATM 5400 C C8 . NAG I 2 . ? 1.387 -24.581 56.048 1.00 45.06 ? 507 NAG A C8 1 HETATM 5401 N N2 . NAG I 2 . ? -0.017 -23.836 54.240 1.00 52.20 ? 507 NAG A N2 1 HETATM 5402 O O3 . NAG I 2 . ? -2.424 -22.260 54.760 1.00 64.05 ? 507 NAG A O3 1 HETATM 5403 O O4 . NAG I 2 . ? -4.167 -22.161 52.489 1.00 74.10 ? 507 NAG A O4 1 HETATM 5404 O O5 . NAG I 2 . ? -0.879 -22.376 50.966 1.00 60.66 ? 507 NAG A O5 1 HETATM 5405 O O6 . NAG I 2 . ? -2.429 -22.074 48.683 1.00 83.74 ? 507 NAG A O6 1 HETATM 5406 O O7 . NAG I 2 . ? 0.738 -22.321 55.725 1.00 49.02 ? 507 NAG A O7 1 HETATM 5407 C C1 . NAG J 2 . ? -4.748 -21.274 22.437 1.00 45.83 ? 508 NAG A C1 1 HETATM 5408 C C2 . NAG J 2 . ? -4.782 -20.332 21.234 1.00 39.38 ? 508 NAG A C2 1 HETATM 5409 C C3 . NAG J 2 . ? -6.057 -19.500 21.226 1.00 44.11 ? 508 NAG A C3 1 HETATM 5410 C C4 . NAG J 2 . ? -7.290 -20.361 21.463 1.00 48.42 ? 508 NAG A C4 1 HETATM 5411 C C5 . NAG J 2 . ? -7.113 -21.292 22.656 1.00 53.00 ? 508 NAG A C5 1 HETATM 5412 C C6 . NAG J 2 . ? -8.285 -22.261 22.739 1.00 60.52 ? 508 NAG A C6 1 HETATM 5413 C C7 . NAG J 2 . ? -2.599 -19.615 20.422 1.00 34.70 ? 508 NAG A C7 1 HETATM 5414 C C8 . NAG J 2 . ? -1.697 -18.435 20.213 1.00 47.26 ? 508 NAG A C8 1 HETATM 5415 N N2 . NAG J 2 . ? -3.630 -19.447 21.248 1.00 32.69 ? 508 NAG A N2 1 HETATM 5416 O O3 . NAG J 2 . ? -6.184 -18.844 19.984 1.00 43.19 ? 508 NAG A O3 1 HETATM 5417 O O4 . NAG J 2 . ? -8.395 -19.520 21.704 1.00 43.67 ? 508 NAG A O4 1 HETATM 5418 O O5 . NAG J 2 . ? -5.927 -22.043 22.536 1.00 48.32 ? 508 NAG A O5 1 HETATM 5419 O O6 . NAG J 2 . ? -8.885 -22.164 24.010 1.00 70.52 ? 508 NAG A O6 1 HETATM 5420 O O7 . NAG J 2 . ? -2.375 -20.682 19.855 1.00 26.63 ? 508 NAG A O7 1 HETATM 5421 C C1 . NAG K 2 . ? 19.552 -31.197 42.863 1.00 34.83 ? 509 NAG A C1 1 HETATM 5422 C C2 . NAG K 2 . ? 20.844 -31.544 42.126 1.00 40.34 ? 509 NAG A C2 1 HETATM 5423 C C3 . NAG K 2 . ? 20.674 -32.769 41.236 1.00 46.13 ? 509 NAG A C3 1 HETATM 5424 C C4 . NAG K 2 . ? 20.020 -33.904 42.010 1.00 46.65 ? 509 NAG A C4 1 HETATM 5425 C C5 . NAG K 2 . ? 18.735 -33.417 42.667 1.00 47.11 ? 509 NAG A C5 1 HETATM 5426 C C6 . NAG K 2 . ? 18.071 -34.532 43.465 1.00 52.55 ? 509 NAG A C6 1 HETATM 5427 C C7 . NAG K 2 . ? 22.463 -29.836 41.531 1.00 48.05 ? 509 NAG A C7 1 HETATM 5428 C C8 . NAG K 2 . ? 22.782 -28.649 40.670 1.00 52.15 ? 509 NAG A C8 1 HETATM 5429 N N2 . NAG K 2 . ? 21.282 -30.414 41.329 1.00 33.85 ? 509 NAG A N2 1 HETATM 5430 O O3 . NAG K 2 . ? 21.934 -33.183 40.758 1.00 50.10 ? 509 NAG A O3 1 HETATM 5431 O O4 . NAG K 2 . ? 19.732 -34.971 41.133 1.00 49.86 ? 509 NAG A O4 1 HETATM 5432 O O5 . NAG K 2 . ? 19.012 -32.326 43.521 1.00 40.49 ? 509 NAG A O5 1 HETATM 5433 O O6 . NAG K 2 . ? 18.961 -34.996 44.456 1.00 62.00 ? 509 NAG A O6 1 HETATM 5434 O O7 . NAG K 2 . ? 23.270 -30.232 42.371 1.00 49.86 ? 509 NAG A O7 1 HETATM 5435 C C1 . NAG L 2 . ? 7.768 -34.089 41.769 1.00 93.18 ? 510 NAG A C1 1 HETATM 5436 C C2 . NAG L 2 . ? 8.929 -34.613 42.607 1.00 96.72 ? 510 NAG A C2 1 HETATM 5437 C C3 . NAG L 2 . ? 8.826 -36.122 42.770 1.00 98.35 ? 510 NAG A C3 1 HETATM 5438 C C4 . NAG L 2 . ? 7.464 -36.469 43.349 1.00 99.07 ? 510 NAG A C4 1 HETATM 5439 C C5 . NAG L 2 . ? 6.350 -35.848 42.512 1.00 101.65 ? 510 NAG A C5 1 HETATM 5440 C C6 . NAG L 2 . ? 4.997 -36.108 43.161 1.00 104.18 ? 510 NAG A C6 1 HETATM 5441 C C7 . NAG L 2 . ? 11.173 -33.699 42.771 1.00 103.94 ? 510 NAG A C7 1 HETATM 5442 C C8 . NAG L 2 . ? 10.943 -33.650 44.254 1.00 108.45 ? 510 NAG A C8 1 HETATM 5443 N N2 . NAG L 2 . ? 10.208 -34.241 42.030 1.00 97.53 ? 510 NAG A N2 1 HETATM 5444 O O3 . NAG L 2 . ? 9.838 -36.585 43.635 1.00 98.63 ? 510 NAG A O3 1 HETATM 5445 O O4 . NAG L 2 . ? 7.313 -37.870 43.381 1.00 99.36 ? 510 NAG A O4 1 HETATM 5446 O O5 . NAG L 2 . ? 6.538 -34.453 42.364 1.00 100.56 ? 510 NAG A O5 1 HETATM 5447 O O6 . NAG L 2 . ? 4.840 -37.494 43.366 1.00 106.05 ? 510 NAG A O6 1 HETATM 5448 O O7 . NAG L 2 . ? 12.215 -33.256 42.291 1.00 107.32 ? 510 NAG A O7 1 HETATM 5449 C C1 . NAG M 2 . ? 6.263 -9.821 50.783 1.00 73.02 ? 511 NAG A C1 1 HETATM 5450 C C2 . NAG M 2 . ? 6.665 -8.350 50.862 1.00 81.67 ? 511 NAG A C2 1 HETATM 5451 C C3 . NAG M 2 . ? 5.532 -7.507 51.436 1.00 88.24 ? 511 NAG A C3 1 HETATM 5452 C C4 . NAG M 2 . ? 4.226 -7.793 50.706 1.00 91.85 ? 511 NAG A C4 1 HETATM 5453 C C5 . NAG M 2 . ? 3.958 -9.292 50.647 1.00 91.06 ? 511 NAG A C5 1 HETATM 5454 C C6 . NAG M 2 . ? 2.695 -9.583 49.844 1.00 96.14 ? 511 NAG A C6 1 HETATM 5455 C C7 . NAG M 2 . ? 9.001 -7.702 51.163 1.00 82.27 ? 511 NAG A C7 1 HETATM 5456 C C8 . NAG M 2 . ? 8.888 -6.605 50.146 1.00 74.84 ? 511 NAG A C8 1 HETATM 5457 N N2 . NAG M 2 . ? 7.864 -8.186 51.664 1.00 84.56 ? 511 NAG A N2 1 HETATM 5458 O O3 . NAG M 2 . ? 5.849 -6.138 51.315 1.00 90.38 ? 511 NAG A O3 1 HETATM 5459 O O4 . NAG M 2 . ? 3.163 -7.150 51.373 1.00 93.24 ? 511 NAG A O4 1 HETATM 5460 O O5 . NAG M 2 . ? 5.055 -9.967 50.064 1.00 83.41 ? 511 NAG A O5 1 HETATM 5461 O O6 . NAG M 2 . ? 2.812 -9.015 48.559 1.00 97.25 ? 511 NAG A O6 1 HETATM 5462 O O7 . NAG M 2 . ? 10.108 -8.118 51.502 1.00 84.70 ? 511 NAG A O7 1 HETATM 5463 N N1 . EPE N 3 . ? 27.092 8.260 42.149 1.00 22.55 ? 512 EPE A N1 1 HETATM 5464 C C2 . EPE N 3 . ? 26.090 7.592 42.991 1.00 21.38 ? 512 EPE A C2 1 HETATM 5465 C C3 . EPE N 3 . ? 24.815 7.398 42.169 1.00 19.41 ? 512 EPE A C3 1 HETATM 5466 N N4 . EPE N 3 . ? 25.046 6.913 40.816 1.00 22.07 ? 512 EPE A N4 1 HETATM 5467 C C5 . EPE N 3 . ? 26.261 7.309 40.126 1.00 23.84 ? 512 EPE A C5 1 HETATM 5468 C C6 . EPE N 3 . ? 27.456 7.348 41.063 1.00 22.94 ? 512 EPE A C6 1 HETATM 5469 C C7 . EPE N 3 . ? 23.875 6.668 39.991 1.00 27.04 ? 512 EPE A C7 1 HETATM 5470 C C8 . EPE N 3 . ? 24.166 5.732 38.822 1.00 22.59 ? 512 EPE A C8 1 HETATM 5471 O O8 . EPE N 3 . ? 24.547 6.473 37.683 1.00 27.27 ? 512 EPE A O8 1 HETATM 5472 C C9 . EPE N 3 . ? 28.296 8.628 42.905 1.00 22.25 ? 512 EPE A C9 1 HETATM 5473 C C10 . EPE N 3 . ? 27.935 9.322 44.211 1.00 26.15 ? 512 EPE A C10 1 HETATM 5474 S S . EPE N 3 . ? 29.375 10.211 44.846 1.00 25.01 ? 512 EPE A S 1 HETATM 5475 O O1S . EPE N 3 . ? 28.962 11.181 45.857 1.00 21.99 ? 512 EPE A O1S 1 HETATM 5476 O O2S . EPE N 3 . ? 30.289 9.237 45.434 1.00 33.62 ? 512 EPE A O2S 1 HETATM 5477 O O3S . EPE N 3 . ? 30.039 10.901 43.747 1.00 23.55 ? 512 EPE A O3S 1 HETATM 5478 C C13 . 0LL O 4 . ? 27.183 -14.866 38.999 1.00 46.82 ? 513 0LL A C13 1 HETATM 5479 C C15 . 0LL O 4 . ? 26.859 -15.022 41.533 1.00 43.55 ? 513 0LL A C15 1 HETATM 5480 C C20 . 0LL O 4 . ? 25.443 -14.553 43.953 1.00 43.78 ? 513 0LL A C20 1 HETATM 5481 C C21 . 0LL O 4 . ? 24.785 -14.585 42.736 1.00 39.46 ? 513 0LL A C21 1 HETATM 5482 C C22 . 0LL O 4 . ? 25.470 -14.804 41.534 1.00 37.35 ? 513 0LL A C22 1 HETATM 5483 C C01 . 0LL O 4 . ? 25.912 -14.333 32.059 1.00 74.41 ? 513 0LL A C01 1 HETATM 5484 C C02 . 0LL O 4 . ? 26.489 -14.960 33.172 1.00 73.92 ? 513 0LL A C02 1 HETATM 5485 C C03 . 0LL O 4 . ? 27.457 -14.321 33.932 1.00 71.58 ? 513 0LL A C03 1 HETATM 5486 C C04 . 0LL O 4 . ? 27.840 -13.014 33.557 1.00 72.81 ? 513 0LL A C04 1 HETATM 5487 C C05 . 0LL O 4 . ? 27.272 -12.380 32.450 1.00 73.91 ? 513 0LL A C05 1 HETATM 5488 C C06 . 0LL O 4 . ? 26.297 -13.046 31.692 1.00 74.54 ? 513 0LL A C06 1 HETATM 5489 C C07 . 0LL O 4 . ? 28.211 -14.803 35.175 1.00 67.87 ? 513 0LL A C07 1 HETATM 5490 C C08 . 0LL O 4 . ? 29.417 -13.781 35.231 1.00 78.62 ? 513 0LL A C08 1 HETATM 5491 C C09 . 0LL O 4 . ? 28.888 -12.510 34.498 1.00 72.97 ? 513 0LL A C09 1 HETATM 5492 N N10 . 0LL O 4 . ? 30.598 -14.352 34.574 1.00 78.81 ? 513 0LL A N10 1 HETATM 5493 N N11 . 0LL O 4 . ? 27.518 -14.701 36.472 1.00 63.33 ? 513 0LL A N11 1 HETATM 5494 C C12 . 0LL O 4 . ? 28.034 -15.065 37.702 1.00 60.27 ? 513 0LL A C12 1 HETATM 5495 N N14 . 0LL O 4 . ? 27.597 -15.222 40.303 1.00 45.44 ? 513 0LL A N14 1 HETATM 5496 O O16 . 0LL O 4 . ? 26.067 -14.370 38.806 1.00 45.20 ? 513 0LL A O16 1 HETATM 5497 O O17 . 0LL O 4 . ? 29.162 -15.564 37.822 1.00 57.47 ? 513 0LL A O17 1 HETATM 5498 C C18 . 0LL O 4 . ? 27.516 -14.970 42.793 1.00 42.84 ? 513 0LL A C18 1 HETATM 5499 C C19 . 0LL O 4 . ? 26.814 -14.747 43.972 1.00 41.80 ? 513 0LL A C19 1 HETATM 5500 CL CL . 0LL O 4 . ? 24.555 -14.266 45.371 1.00 56.64 ? 513 0LL A CL 1 HETATM 5501 F F24 . 0LL O 4 . ? 23.471 -14.404 42.710 1.00 39.35 ? 513 0LL A F24 1 HETATM 5502 C C1 . NAG P 2 . ? -31.637 -26.001 15.496 1.00 48.73 ? 501 NAG C C1 1 HETATM 5503 C C2 . NAG P 2 . ? -32.136 -27.323 14.920 1.00 55.06 ? 501 NAG C C2 1 HETATM 5504 C C3 . NAG P 2 . ? -33.288 -27.101 13.948 1.00 61.91 ? 501 NAG C C3 1 HETATM 5505 C C4 . NAG P 2 . ? -34.360 -26.232 14.588 1.00 65.76 ? 501 NAG C C4 1 HETATM 5506 C C5 . NAG P 2 . ? -33.749 -24.954 15.150 1.00 66.69 ? 501 NAG C C5 1 HETATM 5507 C C6 . NAG P 2 . ? -34.800 -24.125 15.877 1.00 71.68 ? 501 NAG C C6 1 HETATM 5508 C C7 . NAG P 2 . ? -30.582 -29.172 14.722 1.00 59.47 ? 501 NAG C C7 1 HETATM 5509 C C8 . NAG P 2 . ? -29.680 -29.945 13.807 1.00 57.74 ? 501 NAG C C8 1 HETATM 5510 N N2 . NAG P 2 . ? -31.051 -28.018 14.256 1.00 55.84 ? 501 NAG C N2 1 HETATM 5511 O O3 . NAG P 2 . ? -33.842 -28.343 13.575 1.00 63.28 ? 501 NAG C O3 1 HETATM 5512 O O4 . NAG P 2 . ? -35.338 -25.906 13.625 1.00 67.00 ? 501 NAG C O4 1 HETATM 5513 O O5 . NAG P 2 . ? -32.703 -25.256 16.052 1.00 61.44 ? 501 NAG C O5 1 HETATM 5514 O O6 . NAG P 2 . ? -35.215 -24.810 17.038 1.00 74.61 ? 501 NAG C O6 1 HETATM 5515 O O7 . NAG P 2 . ? -30.859 -29.605 15.840 1.00 63.24 ? 501 NAG C O7 1 HETATM 5516 C C1 . NAG Q 2 . ? -25.157 -13.624 27.350 1.00 79.71 ? 502 NAG C C1 1 HETATM 5517 C C2 . NAG Q 2 . ? -25.096 -14.255 28.739 1.00 92.34 ? 502 NAG C C2 1 HETATM 5518 C C3 . NAG Q 2 . ? -23.839 -13.871 29.514 1.00 99.21 ? 502 NAG C C3 1 HETATM 5519 C C4 . NAG Q 2 . ? -22.597 -13.933 28.637 1.00 104.27 ? 502 NAG C C4 1 HETATM 5520 C C5 . NAG Q 2 . ? -22.835 -13.173 27.339 1.00 102.33 ? 502 NAG C C5 1 HETATM 5521 C C6 . NAG Q 2 . ? -21.600 -13.209 26.446 1.00 102.69 ? 502 NAG C C6 1 HETATM 5522 C C7 . NAG Q 2 . ? -27.204 -14.745 29.816 1.00 102.50 ? 502 NAG C C7 1 HETATM 5523 C C8 . NAG Q 2 . ? -28.524 -14.197 30.271 1.00 97.80 ? 502 NAG C C8 1 HETATM 5524 N N2 . NAG Q 2 . ? -26.268 -13.859 29.493 1.00 98.03 ? 502 NAG C N2 1 HETATM 5525 O O3 . NAG Q 2 . ? -23.681 -14.748 30.607 1.00 100.46 ? 502 NAG C O3 1 HETATM 5526 O O4 . NAG Q 2 . ? -21.506 -13.363 29.323 1.00 108.12 ? 502 NAG C O4 1 HETATM 5527 O O5 . NAG Q 2 . ? -23.930 -13.744 26.657 1.00 93.71 ? 502 NAG C O5 1 HETATM 5528 O O6 . NAG Q 2 . ? -21.288 -14.547 26.128 1.00 104.17 ? 502 NAG C O6 1 HETATM 5529 O O7 . NAG Q 2 . ? -27.015 -15.956 29.748 1.00 108.67 ? 502 NAG C O7 1 HETATM 5530 C C1 . NAG R 2 . ? -2.272 -28.118 17.351 1.00 19.72 ? 503 NAG C C1 1 HETATM 5531 C C2 . NAG R 2 . ? -1.313 -28.508 16.227 1.00 21.48 ? 503 NAG C C2 1 HETATM 5532 C C3 . NAG R 2 . ? 0.014 -28.974 16.812 1.00 23.68 ? 503 NAG C C3 1 HETATM 5533 C C4 . NAG R 2 . ? 0.576 -27.864 17.686 1.00 27.51 ? 503 NAG C C4 1 HETATM 5534 C C5 . NAG R 2 . ? -0.444 -27.476 18.750 1.00 27.08 ? 503 NAG C C5 1 HETATM 5535 C C6 . NAG R 2 . ? 0.079 -26.320 19.595 1.00 26.02 ? 503 NAG C C6 1 HETATM 5536 C C7 . NAG R 2 . ? -1.974 -29.351 14.045 1.00 27.32 ? 503 NAG C C7 1 HETATM 5537 C C8 . NAG R 2 . ? -2.507 -30.507 13.248 1.00 19.98 ? 503 NAG C C8 1 HETATM 5538 N N2 . NAG R 2 . ? -1.884 -29.526 15.362 1.00 20.93 ? 503 NAG C N2 1 HETATM 5539 O O3 . NAG R 2 . ? 0.932 -29.294 15.790 1.00 23.75 ? 503 NAG C O3 1 HETATM 5540 O O4 . NAG R 2 . ? 1.773 -28.292 18.295 1.00 23.98 ? 503 NAG C O4 1 HETATM 5541 O O5 . NAG R 2 . ? -1.683 -27.117 18.165 1.00 19.80 ? 503 NAG C O5 1 HETATM 5542 O O6 . NAG R 2 . ? 0.490 -25.264 18.754 1.00 25.50 ? 503 NAG C O6 1 HETATM 5543 O O7 . NAG R 2 . ? -1.645 -28.310 13.476 1.00 19.66 ? 503 NAG C O7 1 HETATM 5544 C C1 . NAG S 2 . ? -34.354 -32.545 4.788 1.00 63.08 ? 504 NAG C C1 1 HETATM 5545 C C2 . NAG S 2 . ? -35.202 -31.738 3.807 1.00 70.76 ? 504 NAG C C2 1 HETATM 5546 C C3 . NAG S 2 . ? -36.441 -32.504 3.356 1.00 79.74 ? 504 NAG C C3 1 HETATM 5547 C C4 . NAG S 2 . ? -36.085 -33.924 2.941 1.00 81.13 ? 504 NAG C C4 1 HETATM 5548 C C5 . NAG S 2 . ? -35.260 -34.604 4.026 1.00 77.16 ? 504 NAG C C5 1 HETATM 5549 C C6 . NAG S 2 . ? -34.857 -36.010 3.598 1.00 72.20 ? 504 NAG C C6 1 HETATM 5550 C C7 . NAG S 2 . ? -35.228 -29.315 3.900 1.00 76.54 ? 504 NAG C C7 1 HETATM 5551 C C8 . NAG S 2 . ? -35.547 -28.094 4.710 1.00 75.48 ? 504 NAG C C8 1 HETATM 5552 N N2 . NAG S 2 . ? -35.601 -30.483 4.414 1.00 71.94 ? 504 NAG C N2 1 HETATM 5553 O O3 . NAG S 2 . ? -37.036 -31.834 2.268 1.00 82.54 ? 504 NAG C O3 1 HETATM 5554 O O4 . NAG S 2 . ? -37.266 -34.659 2.714 1.00 81.10 ? 504 NAG C O4 1 HETATM 5555 O O5 . NAG S 2 . ? -34.100 -33.846 4.298 1.00 73.16 ? 504 NAG C O5 1 HETATM 5556 O O6 . NAG S 2 . ? -34.119 -35.942 2.399 1.00 73.80 ? 504 NAG C O6 1 HETATM 5557 O O7 . NAG S 2 . ? -34.650 -29.214 2.818 1.00 81.84 ? 504 NAG C O7 1 HETATM 5558 C C1 . NAG T 2 . ? -20.510 -32.436 27.964 1.00 41.99 ? 505 NAG C C1 1 HETATM 5559 C C2 . NAG T 2 . ? -20.489 -32.200 29.472 1.00 39.98 ? 505 NAG C C2 1 HETATM 5560 C C3 . NAG T 2 . ? -21.320 -33.239 30.210 1.00 47.26 ? 505 NAG C C3 1 HETATM 5561 C C4 . NAG T 2 . ? -22.704 -33.361 29.586 1.00 49.02 ? 505 NAG C C4 1 HETATM 5562 C C5 . NAG T 2 . ? -22.608 -33.557 28.077 1.00 47.44 ? 505 NAG C C5 1 HETATM 5563 C C6 . NAG T 2 . ? -24.002 -33.574 27.460 1.00 49.38 ? 505 NAG C C6 1 HETATM 5564 C C7 . NAG T 2 . ? -18.564 -31.119 30.473 1.00 45.55 ? 505 NAG C C7 1 HETATM 5565 C C8 . NAG T 2 . ? -17.114 -31.230 30.843 1.00 42.78 ? 505 NAG C C8 1 HETATM 5566 N N2 . NAG T 2 . ? -19.129 -32.211 29.967 1.00 34.35 ? 505 NAG C N2 1 HETATM 5567 O O3 . NAG T 2 . ? -21.445 -32.879 31.568 1.00 45.27 ? 505 NAG C O3 1 HETATM 5568 O O4 . NAG T 2 . ? -23.379 -34.459 30.161 1.00 48.48 ? 505 NAG C O4 1 HETATM 5569 O O5 . NAG T 2 . ? -21.839 -32.528 27.483 1.00 47.55 ? 505 NAG C O5 1 HETATM 5570 O O6 . NAG T 2 . ? -23.909 -33.790 26.070 1.00 37.26 ? 505 NAG C O6 1 HETATM 5571 O O7 . NAG T 2 . ? -19.169 -30.059 30.639 1.00 50.82 ? 505 NAG C O7 1 HETATM 5572 C C1 . NAG U 2 . ? 3.584 -37.805 22.665 1.00 37.53 ? 506 NAG C C1 1 HETATM 5573 C C2 . NAG U 2 . ? 4.002 -37.385 24.071 1.00 38.26 ? 506 NAG C C2 1 HETATM 5574 C C3 . NAG U 2 . ? 5.514 -37.503 24.234 1.00 55.40 ? 506 NAG C C3 1 HETATM 5575 C C4 . NAG U 2 . ? 5.991 -38.885 23.800 1.00 60.55 ? 506 NAG C C4 1 HETATM 5576 C C5 . NAG U 2 . ? 5.453 -39.219 22.411 1.00 55.35 ? 506 NAG C C5 1 HETATM 5577 C C6 . NAG U 2 . ? 5.872 -40.615 21.960 1.00 59.16 ? 506 NAG C C6 1 HETATM 5578 C C7 . NAG U 2 . ? 2.530 -35.775 25.111 1.00 42.96 ? 506 NAG C C7 1 HETATM 5579 C C8 . NAG U 2 . ? 2.120 -34.340 25.251 1.00 44.28 ? 506 NAG C C8 1 HETATM 5580 N N2 . NAG U 2 . ? 3.579 -36.022 24.333 1.00 34.33 ? 506 NAG C N2 1 HETATM 5581 O O3 . NAG U 2 . ? 5.865 -37.276 25.582 1.00 64.36 ? 506 NAG C O3 1 HETATM 5582 O O4 . NAG U 2 . ? 7.401 -38.913 23.778 1.00 63.45 ? 506 NAG C O4 1 HETATM 5583 O O5 . NAG U 2 . ? 4.043 -39.115 22.397 1.00 42.04 ? 506 NAG C O5 1 HETATM 5584 O O6 . NAG U 2 . ? 5.145 -41.585 22.678 1.00 59.82 ? 506 NAG C O6 1 HETATM 5585 O O7 . NAG U 2 . ? 1.909 -36.664 25.692 1.00 50.51 ? 506 NAG C O7 1 HETATM 5586 C C1 . NAG V 2 . ? -5.999 -41.658 30.509 1.00 63.11 ? 507 NAG C C1 1 HETATM 5587 C C2 . NAG V 2 . ? -4.894 -42.220 31.402 1.00 77.21 ? 507 NAG C C2 1 HETATM 5588 C C3 . NAG V 2 . ? -5.390 -42.609 32.792 1.00 85.73 ? 507 NAG C C3 1 HETATM 5589 C C4 . NAG V 2 . ? -6.328 -41.559 33.366 1.00 88.45 ? 507 NAG C C4 1 HETATM 5590 C C5 . NAG V 2 . ? -7.418 -41.233 32.357 1.00 84.71 ? 507 NAG C C5 1 HETATM 5591 C C6 . NAG V 2 . ? -8.402 -40.216 32.923 1.00 88.01 ? 507 NAG C C6 1 HETATM 5592 C C7 . NAG V 2 . ? -3.033 -43.423 30.367 1.00 79.30 ? 507 NAG C C7 1 HETATM 5593 C C8 . NAG V 2 . ? -2.169 -42.242 30.703 1.00 75.16 ? 507 NAG C C8 1 HETATM 5594 N N2 . NAG V 2 . ? -4.304 -43.382 30.763 1.00 79.14 ? 507 NAG C N2 1 HETATM 5595 O O3 . NAG V 2 . ? -4.286 -42.771 33.655 1.00 85.79 ? 507 NAG C O3 1 HETATM 5596 O O4 . NAG V 2 . ? -6.915 -42.044 34.553 1.00 94.67 ? 507 NAG C O4 1 HETATM 5597 O O5 . NAG V 2 . ? -6.820 -40.725 31.184 1.00 75.44 ? 507 NAG C O5 1 HETATM 5598 O O6 . NAG V 2 . ? -9.545 -40.156 32.099 1.00 96.65 ? 507 NAG C O6 1 HETATM 5599 O O7 . NAG V 2 . ? -2.562 -44.379 29.752 1.00 83.98 ? 507 NAG C O7 1 HETATM 5600 C C1 . NAG W 2 . ? -35.711 -41.648 24.710 1.00 82.17 ? 508 NAG C C1 1 HETATM 5601 C C2 . NAG W 2 . ? -37.161 -41.211 24.551 1.00 88.97 ? 508 NAG C C2 1 HETATM 5602 C C3 . NAG W 2 . ? -37.509 -40.210 25.642 1.00 92.40 ? 508 NAG C C3 1 HETATM 5603 C C4 . NAG W 2 . ? -37.215 -40.814 27.010 1.00 89.31 ? 508 NAG C C4 1 HETATM 5604 C C5 . NAG W 2 . ? -35.824 -41.445 27.082 1.00 88.67 ? 508 NAG C C5 1 HETATM 5605 C C6 . NAG W 2 . ? -35.693 -42.293 28.343 1.00 89.22 ? 508 NAG C C6 1 HETATM 5606 C C7 . NAG W 2 . ? -38.223 -41.252 22.379 1.00 100.24 ? 508 NAG C C7 1 HETATM 5607 C C8 . NAG W 2 . ? -38.363 -40.625 21.024 1.00 99.51 ? 508 NAG C C8 1 HETATM 5608 N N2 . NAG W 2 . ? -37.398 -40.652 23.234 1.00 92.91 ? 508 NAG C N2 1 HETATM 5609 O O3 . NAG W 2 . ? -38.875 -39.871 25.555 1.00 95.21 ? 508 NAG C O3 1 HETATM 5610 O O4 . NAG W 2 . ? -37.320 -39.806 27.992 1.00 85.19 ? 508 NAG C O4 1 HETATM 5611 O O5 . NAG W 2 . ? -35.547 -42.271 25.966 1.00 86.35 ? 508 NAG C O5 1 HETATM 5612 O O6 . NAG W 2 . ? -34.809 -41.671 29.248 1.00 88.13 ? 508 NAG C O6 1 HETATM 5613 O O7 . NAG W 2 . ? -38.851 -42.272 22.661 1.00 105.02 ? 508 NAG C O7 1 HETATM 5614 C C1 . NAG X 2 . ? -7.536 -49.289 8.534 1.00 41.34 ? 509 NAG C C1 1 HETATM 5615 C C2 . NAG X 2 . ? -7.698 -49.602 7.050 1.00 47.49 ? 509 NAG C C2 1 HETATM 5616 C C3 . NAG X 2 . ? -8.598 -50.813 6.840 1.00 55.58 ? 509 NAG C C3 1 HETATM 5617 C C4 . NAG X 2 . ? -8.136 -51.976 7.706 1.00 61.35 ? 509 NAG C C4 1 HETATM 5618 C C5 . NAG X 2 . ? -7.972 -51.535 9.156 1.00 56.11 ? 509 NAG C C5 1 HETATM 5619 C C6 . NAG X 2 . ? -7.427 -52.677 10.007 1.00 57.51 ? 509 NAG C C6 1 HETATM 5620 C C7 . NAG X 2 . ? -7.540 -47.848 5.389 1.00 49.19 ? 509 NAG C C7 1 HETATM 5621 C C8 . NAG X 2 . ? -8.215 -46.705 4.689 1.00 50.26 ? 509 NAG C C8 1 HETATM 5622 N N2 . NAG X 2 . ? -8.236 -48.454 6.347 1.00 47.35 ? 509 NAG C N2 1 HETATM 5623 O O3 . NAG X 2 . ? -8.568 -51.190 5.482 1.00 49.08 ? 509 NAG C O3 1 HETATM 5624 O O4 . NAG X 2 . ? -9.078 -53.023 7.636 1.00 64.22 ? 509 NAG C O4 1 HETATM 5625 O O5 . NAG X 2 . ? -7.094 -50.431 9.240 1.00 50.55 ? 509 NAG C O5 1 HETATM 5626 O O6 . NAG X 2 . ? -6.186 -53.097 9.484 1.00 53.97 ? 509 NAG C O6 1 HETATM 5627 O O7 . NAG X 2 . ? -6.401 -48.187 5.073 1.00 51.87 ? 509 NAG C O7 1 HETATM 5628 C C1 . NAG Y 2 . ? -12.620 -53.316 19.502 1.00 70.52 ? 510 NAG C C1 1 HETATM 5629 C C2 . NAG Y 2 . ? -11.851 -54.175 18.499 1.00 79.66 ? 510 NAG C C2 1 HETATM 5630 C C3 . NAG Y 2 . ? -11.407 -55.508 19.092 1.00 80.85 ? 510 NAG C C3 1 HETATM 5631 C C4 . NAG Y 2 . ? -10.800 -55.325 20.475 1.00 83.10 ? 510 NAG C C4 1 HETATM 5632 C C5 . NAG Y 2 . ? -11.726 -54.493 21.352 1.00 79.14 ? 510 NAG C C5 1 HETATM 5633 C C6 . NAG Y 2 . ? -11.129 -54.286 22.739 1.00 79.63 ? 510 NAG C C6 1 HETATM 5634 C C7 . NAG Y 2 . ? -12.191 -54.294 16.092 1.00 92.79 ? 510 NAG C C7 1 HETATM 5635 C C8 . NAG Y 2 . ? -11.196 -53.196 15.856 1.00 88.31 ? 510 NAG C C8 1 HETATM 5636 N N2 . NAG Y 2 . ? -12.671 -54.415 17.327 1.00 88.08 ? 510 NAG C N2 1 HETATM 5637 O O3 . NAG Y 2 . ? -10.455 -56.103 18.239 1.00 80.48 ? 510 NAG C O3 1 HETATM 5638 O O4 . NAG Y 2 . ? -10.591 -56.587 21.069 1.00 86.49 ? 510 NAG C O4 1 HETATM 5639 O O5 . NAG Y 2 . ? -11.952 -53.238 20.745 1.00 74.82 ? 510 NAG C O5 1 HETATM 5640 O O6 . NAG Y 2 . ? -9.895 -53.612 22.627 1.00 74.90 ? 510 NAG C O6 1 HETATM 5641 O O7 . NAG Y 2 . ? -12.529 -55.036 15.171 1.00 98.09 ? 510 NAG C O7 1 HETATM 5642 C C1 . NAG Z 2 . ? -5.610 -28.717 24.534 1.00 43.79 ? 511 NAG C C1 1 HETATM 5643 C C2 . NAG Z 2 . ? -4.966 -27.356 24.287 1.00 49.20 ? 511 NAG C C2 1 HETATM 5644 C C3 . NAG Z 2 . ? -4.243 -26.853 25.531 1.00 54.88 ? 511 NAG C C3 1 HETATM 5645 C C4 . NAG Z 2 . ? -5.157 -26.935 26.746 1.00 56.14 ? 511 NAG C C4 1 HETATM 5646 C C5 . NAG Z 2 . ? -5.774 -28.325 26.862 1.00 55.86 ? 511 NAG C C5 1 HETATM 5647 C C6 . NAG Z 2 . ? -6.758 -28.391 28.024 1.00 63.05 ? 511 NAG C C6 1 HETATM 5648 C C7 . NAG Z 2 . ? -4.229 -26.700 22.058 1.00 50.65 ? 511 NAG C C7 1 HETATM 5649 C C8 . NAG Z 2 . ? -5.471 -25.858 21.978 1.00 54.60 ? 511 NAG C C8 1 HETATM 5650 N N2 . NAG Z 2 . ? -4.051 -27.424 23.162 1.00 37.77 ? 511 NAG C N2 1 HETATM 5651 O O3 . NAG Z 2 . ? -3.837 -25.516 25.336 1.00 58.06 ? 511 NAG C O3 1 HETATM 5652 O O4 . NAG Z 2 . ? -4.418 -26.644 27.911 1.00 50.27 ? 511 NAG C O4 1 HETATM 5653 O O5 . NAG Z 2 . ? -6.450 -28.666 25.668 1.00 50.69 ? 511 NAG C O5 1 HETATM 5654 O O6 . NAG Z 2 . ? -7.841 -27.524 27.770 1.00 69.07 ? 511 NAG C O6 1 HETATM 5655 O O7 . NAG Z 2 . ? -3.426 -26.702 21.127 1.00 53.15 ? 511 NAG C O7 1 HETATM 5656 N N1 . EPE AA 3 . ? -7.072 -10.049 1.987 1.00 28.28 ? 512 EPE C N1 1 HETATM 5657 C C2 . EPE AA 3 . ? -6.667 -10.733 3.226 1.00 24.62 ? 512 EPE C C2 1 HETATM 5658 C C3 . EPE AA 3 . ? -7.897 -10.960 4.105 1.00 25.62 ? 512 EPE C C3 1 HETATM 5659 N N4 . EPE AA 3 . ? -9.050 -11.478 3.384 1.00 29.41 ? 512 EPE C N4 1 HETATM 5660 C C5 . EPE AA 3 . ? -9.263 -11.024 2.022 1.00 25.04 ? 512 EPE C C5 1 HETATM 5661 C C6 . EPE AA 3 . ? -7.961 -10.946 1.243 1.00 24.07 ? 512 EPE C C6 1 HETATM 5662 C C7 . EPE AA 3 . ? -10.229 -11.805 4.166 1.00 27.29 ? 512 EPE C C7 1 HETATM 5663 C C8 . EPE AA 3 . ? -11.155 -12.794 3.465 1.00 32.48 ? 512 EPE C C8 1 HETATM 5664 O O8 . EPE AA 3 . ? -12.109 -12.110 2.682 1.00 37.39 ? 512 EPE C O8 1 HETATM 5665 C C9 . EPE AA 3 . ? -5.910 -9.713 1.152 1.00 24.48 ? 512 EPE C C9 1 HETATM 5666 C C10 . EPE AA 3 . ? -4.932 -8.823 1.908 1.00 31.52 ? 512 EPE C C10 1 HETATM 5667 S S . EPE AA 3 . ? -3.864 -7.905 0.769 1.00 30.53 ? 512 EPE C S 1 HETATM 5668 O O1S . EPE AA 3 . ? -3.011 -6.987 1.520 1.00 23.96 ? 512 EPE C O1S 1 HETATM 5669 C C13 . 0LL BA 4 . ? -8.393 -33.341 0.398 1.00 55.68 ? 513 0LL C C13 1 HETATM 5670 C C15 . 0LL BA 4 . ? -6.166 -33.186 1.646 1.00 48.92 ? 513 0LL C C15 1 HETATM 5671 C C20 . 0LL BA 4 . ? -4.490 -32.375 3.802 1.00 38.68 ? 513 0LL C C20 1 HETATM 5672 C C21 . 0LL BA 4 . ? -5.836 -32.657 4.002 1.00 45.59 ? 513 0LL C C21 1 HETATM 5673 C C22 . 0LL BA 4 . ? -6.677 -33.052 2.952 1.00 43.85 ? 513 0LL C C22 1 HETATM 5674 C C01 . 0LL BA 4 . ? -15.296 -33.833 -0.585 1.00 77.06 ? 513 0LL C C01 1 HETATM 5675 C C02 . 0LL BA 4 . ? -13.970 -34.236 -0.783 1.00 78.34 ? 513 0LL C C02 1 HETATM 5676 C C03 . 0LL BA 4 . ? -13.106 -33.496 -1.578 1.00 79.86 ? 513 0LL C C03 1 HETATM 5677 C C04 . 0LL BA 4 . ? -13.600 -32.316 -2.178 1.00 78.51 ? 513 0LL C C04 1 HETATM 5678 C C05 . 0LL BA 4 . ? -14.921 -31.909 -1.989 1.00 77.31 ? 513 0LL C C05 1 HETATM 5679 C C06 . 0LL BA 4 . ? -15.778 -32.674 -1.184 1.00 77.00 ? 513 0LL C C06 1 HETATM 5680 C C07 . 0LL BA 4 . ? -11.632 -33.742 -1.918 1.00 81.81 ? 513 0LL C C07 1 HETATM 5681 C C08 . 0LL BA 4 . ? -11.397 -32.735 -3.122 1.00 86.46 ? 513 0LL C C08 1 HETATM 5682 C C09 . 0LL BA 4 . ? -12.522 -31.664 -2.989 1.00 77.69 ? 513 0LL C C09 1 HETATM 5683 N N10 . 0LL BA 4 . ? -11.476 -33.457 -4.398 1.00 86.13 ? 513 0LL C N10 1 HETATM 5684 N N11 . 0LL BA 4 . ? -10.636 -33.470 -0.843 1.00 83.40 ? 513 0LL C N11 1 HETATM 5685 C C12 . 0LL BA 4 . ? -9.269 -33.725 -0.851 1.00 83.57 ? 513 0LL C C12 1 HETATM 5686 N N14 . 0LL BA 4 . ? -7.005 -33.562 0.523 1.00 52.30 ? 513 0LL C N14 1 HETATM 5687 O O16 . 0LL BA 4 . ? -9.023 -32.817 1.322 1.00 55.88 ? 513 0LL C O16 1 HETATM 5688 O O17 . 0LL BA 4 . ? -8.698 -34.258 -1.816 1.00 83.35 ? 513 0LL C O17 1 HETATM 5689 C C18 . 0LL BA 4 . ? -4.792 -32.873 1.467 1.00 46.05 ? 513 0LL C C18 1 HETATM 5690 C C19 . 0LL BA 4 . ? -3.981 -32.490 2.531 1.00 32.62 ? 513 0LL C C19 1 HETATM 5691 CL CL . 0LL BA 4 . ? -3.511 -31.881 5.112 1.00 45.44 ? 513 0LL C CL 1 HETATM 5692 F F24 . 0LL BA 4 . ? -6.347 -32.555 5.220 1.00 52.23 ? 513 0LL C F24 1 HETATM 5693 O O . HOH CA 5 . ? 22.865 -6.032 47.408 1.00 18.10 ? 601 HOH A O 1 HETATM 5694 O O . HOH CA 5 . ? 9.826 -7.776 35.580 1.00 19.31 ? 602 HOH A O 1 HETATM 5695 O O . HOH CA 5 . ? 16.476 -11.048 43.232 1.00 23.19 ? 603 HOH A O 1 HETATM 5696 O O . HOH CA 5 . ? 21.799 -8.821 47.366 1.00 20.52 ? 604 HOH A O 1 HETATM 5697 O O . HOH CA 5 . ? 15.938 -6.044 52.263 1.00 21.96 ? 605 HOH A O 1 HETATM 5698 O O . HOH CA 5 . ? 12.773 0.810 29.821 1.00 24.83 ? 606 HOH A O 1 HETATM 5699 O O . HOH CA 5 . ? 15.229 -18.552 26.202 1.00 23.46 ? 607 HOH A O 1 HETATM 5700 O O . HOH CA 5 . ? 12.912 -18.293 24.396 1.00 24.88 ? 608 HOH A O 1 HETATM 5701 O O . HOH CA 5 . ? 10.108 -7.694 26.743 1.00 24.14 ? 609 HOH A O 1 HETATM 5702 O O . HOH CA 5 . ? 15.135 -29.411 45.127 1.00 26.79 ? 610 HOH A O 1 HETATM 5703 O O . HOH CA 5 . ? 15.826 -11.273 26.650 1.00 20.45 ? 611 HOH A O 1 HETATM 5704 O O . HOH CA 5 . ? 12.091 -25.913 23.889 1.00 23.54 ? 612 HOH A O 1 HETATM 5705 O O . HOH CA 5 . ? 16.059 -7.582 49.985 1.00 19.53 ? 613 HOH A O 1 HETATM 5706 O O . HOH CA 5 . ? 16.749 5.359 29.621 1.00 25.94 ? 614 HOH A O 1 HETATM 5707 O O . HOH CA 5 . ? 30.182 -17.960 54.620 1.00 26.76 ? 615 HOH A O 1 HETATM 5708 O O . HOH CA 5 . ? 2.928 -11.393 28.873 1.00 26.01 ? 616 HOH A O 1 HETATM 5709 O O . HOH CA 5 . ? 23.708 10.097 43.789 1.00 21.98 ? 617 HOH A O 1 HETATM 5710 O O . HOH CA 5 . ? 20.166 -10.014 49.462 1.00 22.24 ? 618 HOH A O 1 HETATM 5711 O O . HOH CA 5 . ? 24.989 4.402 57.597 1.00 25.12 ? 619 HOH A O 1 HETATM 5712 O O . HOH CA 5 . ? 0.284 -6.980 34.951 1.00 26.22 ? 620 HOH A O 1 HETATM 5713 O O . HOH CA 5 . ? 29.339 -17.183 52.062 1.00 26.02 ? 621 HOH A O 1 HETATM 5714 O O . HOH CA 5 . ? 1.385 -27.330 29.008 1.00 31.27 ? 622 HOH A O 1 HETATM 5715 O O . HOH CA 5 . ? -1.830 -7.499 32.460 1.00 28.41 ? 623 HOH A O 1 HETATM 5716 O O . HOH CA 5 . ? 20.508 -13.529 37.704 1.00 23.79 ? 624 HOH A O 1 HETATM 5717 O O . HOH CA 5 . ? 0.379 -10.840 30.028 1.00 28.05 ? 625 HOH A O 1 HETATM 5718 O O . HOH CA 5 . ? 3.474 -0.794 33.203 1.00 28.05 ? 626 HOH A O 1 HETATM 5719 O O . HOH CA 5 . ? 20.764 -1.753 28.701 1.00 28.92 ? 627 HOH A O 1 HETATM 5720 O O . HOH CA 5 . ? 28.988 -0.017 52.630 1.00 26.75 ? 628 HOH A O 1 HETATM 5721 O O . HOH CA 5 . ? 1.497 -17.445 20.578 1.00 25.81 ? 629 HOH A O 1 HETATM 5722 O O . HOH CA 5 . ? 12.292 -7.916 40.595 1.00 28.30 ? 630 HOH A O 1 HETATM 5723 O O . HOH CA 5 . ? 19.274 -26.624 41.406 1.00 27.23 ? 631 HOH A O 1 HETATM 5724 O O . HOH CA 5 . ? 29.449 -25.382 51.007 1.00 24.84 ? 632 HOH A O 1 HETATM 5725 O O . HOH CA 5 . ? 15.882 -17.395 48.758 1.00 24.65 ? 633 HOH A O 1 HETATM 5726 O O . HOH CA 5 . ? 3.987 -4.463 33.088 1.00 26.67 ? 634 HOH A O 1 HETATM 5727 O O . HOH CA 5 . ? 15.044 -16.117 51.144 1.00 26.25 ? 635 HOH A O 1 HETATM 5728 O O . HOH CA 5 . ? 12.789 -3.907 44.811 1.00 28.01 ? 636 HOH A O 1 HETATM 5729 O O . HOH CA 5 . ? 15.498 3.792 51.023 1.00 25.38 ? 637 HOH A O 1 HETATM 5730 O O . HOH CA 5 . ? 14.434 -7.895 42.761 1.00 37.07 ? 638 HOH A O 1 HETATM 5731 O O . HOH CA 5 . ? 3.722 -2.754 34.981 1.00 32.18 ? 639 HOH A O 1 HETATM 5732 O O . HOH CA 5 . ? 28.461 -3.817 58.551 1.00 26.52 ? 640 HOH A O 1 HETATM 5733 O O . HOH CA 5 . ? 17.573 -11.658 18.652 1.00 31.17 ? 641 HOH A O 1 HETATM 5734 O O . HOH CA 5 . ? 31.162 0.275 39.425 1.00 28.99 ? 642 HOH A O 1 HETATM 5735 O O . HOH CA 5 . ? 30.619 -11.640 44.356 1.00 28.29 ? 643 HOH A O 1 HETATM 5736 O O . HOH CA 5 . ? 9.934 -9.144 40.338 1.00 26.07 ? 644 HOH A O 1 HETATM 5737 O O . HOH CA 5 . ? 13.690 -12.257 56.813 1.00 29.50 ? 645 HOH A O 1 HETATM 5738 O O . HOH CA 5 . ? 20.196 -12.094 47.456 1.00 24.93 ? 646 HOH A O 1 HETATM 5739 O O . HOH CA 5 . ? 14.354 -5.315 43.453 1.00 29.23 ? 647 HOH A O 1 HETATM 5740 O O . HOH CA 5 . ? 27.219 4.933 37.151 1.00 34.32 ? 648 HOH A O 1 HETATM 5741 O O . HOH CA 5 . ? 8.266 -8.082 47.285 1.00 30.69 ? 649 HOH A O 1 HETATM 5742 O O . HOH CA 5 . ? 16.255 -26.679 38.977 1.00 29.11 ? 650 HOH A O 1 HETATM 5743 O O . HOH CA 5 . ? 2.159 -3.971 36.228 1.00 42.39 ? 651 HOH A O 1 HETATM 5744 O O . HOH CA 5 . ? 19.387 4.311 27.022 1.00 26.03 ? 652 HOH A O 1 HETATM 5745 O O . HOH CA 5 . ? 30.198 -14.403 52.882 1.00 30.81 ? 653 HOH A O 1 HETATM 5746 O O . HOH CA 5 . ? 8.847 12.061 40.952 1.00 31.23 ? 654 HOH A O 1 HETATM 5747 O O . HOH CA 5 . ? 19.402 -12.438 27.235 1.00 30.07 ? 655 HOH A O 1 HETATM 5748 O O . HOH CA 5 . ? 36.144 -24.666 57.590 1.00 32.83 ? 656 HOH A O 1 HETATM 5749 O O . HOH CA 5 . ? 34.111 -26.682 58.498 1.00 31.79 ? 657 HOH A O 1 HETATM 5750 O O . HOH CA 5 . ? 11.030 -24.273 19.518 1.00 29.06 ? 658 HOH A O 1 HETATM 5751 O O . HOH CA 5 . ? 19.544 -16.295 36.975 1.00 40.58 ? 659 HOH A O 1 HETATM 5752 O O . HOH CA 5 . ? 16.485 -8.561 41.921 1.00 38.22 ? 660 HOH A O 1 HETATM 5753 O O . HOH CA 5 . ? 13.470 -24.792 20.346 1.00 27.21 ? 661 HOH A O 1 HETATM 5754 O O . HOH CA 5 . ? 4.173 -2.550 23.899 1.00 39.16 ? 662 HOH A O 1 HETATM 5755 O O . HOH CA 5 . ? 17.124 -24.311 28.360 1.00 28.72 ? 663 HOH A O 1 HETATM 5756 O O . HOH CA 5 . ? 11.642 -16.635 60.018 1.00 30.79 ? 664 HOH A O 1 HETATM 5757 O O . HOH CA 5 . ? 28.795 -21.122 61.640 1.00 29.05 ? 665 HOH A O 1 HETATM 5758 O O . HOH CA 5 . ? 25.647 10.880 41.787 1.00 31.27 ? 666 HOH A O 1 HETATM 5759 O O . HOH CA 5 . ? 29.275 -27.804 52.249 1.00 36.21 ? 667 HOH A O 1 HETATM 5760 O O . HOH CA 5 . ? 23.373 1.342 27.921 1.00 39.80 ? 668 HOH A O 1 HETATM 5761 O O . HOH CA 5 . ? 21.817 -30.741 46.020 1.00 38.84 ? 669 HOH A O 1 HETATM 5762 O O . HOH CA 5 . ? 3.161 -4.814 25.823 1.00 38.55 ? 670 HOH A O 1 HETATM 5763 O O . HOH CA 5 . ? 7.303 5.177 40.267 1.00 40.86 ? 671 HOH A O 1 HETATM 5764 O O . HOH CA 5 . ? 20.560 -18.183 18.907 1.00 44.77 ? 672 HOH A O 1 HETATM 5765 O O . HOH CA 5 . ? 6.664 -0.057 39.946 1.00 43.67 ? 673 HOH A O 1 HETATM 5766 O O . HOH CA 5 . ? 18.980 6.431 29.635 1.00 37.52 ? 674 HOH A O 1 HETATM 5767 O O . HOH CA 5 . ? -0.299 7.483 32.961 1.00 32.82 ? 675 HOH A O 1 HETATM 5768 O O . HOH CA 5 . ? 30.847 -27.653 55.563 1.00 37.18 ? 676 HOH A O 1 HETATM 5769 O O . HOH CA 5 . ? 19.959 9.661 59.075 1.00 35.65 ? 677 HOH A O 1 HETATM 5770 O O . HOH CA 5 . ? 23.181 -3.197 61.565 1.00 36.85 ? 678 HOH A O 1 HETATM 5771 O O . HOH CA 5 . ? 5.602 -20.073 50.665 1.00 36.42 ? 679 HOH A O 1 HETATM 5772 O O . HOH CA 5 . ? 30.096 -11.288 54.143 1.00 40.50 ? 680 HOH A O 1 HETATM 5773 O O . HOH CA 5 . ? 13.854 15.644 36.604 1.00 37.22 ? 681 HOH A O 1 HETATM 5774 O O . HOH CA 5 . ? -0.612 -15.997 40.428 1.00 33.00 ? 682 HOH A O 1 HETATM 5775 O O . HOH CA 5 . ? 27.180 -12.626 57.776 1.00 35.12 ? 683 HOH A O 1 HETATM 5776 O O . HOH CA 5 . ? 27.163 6.103 57.486 1.00 28.19 ? 684 HOH A O 1 HETATM 5777 O O . HOH CA 5 . ? 20.759 8.545 51.154 1.00 33.20 ? 685 HOH A O 1 HETATM 5778 O O . HOH CA 5 . ? 23.552 -26.651 59.476 1.00 36.97 ? 686 HOH A O 1 HETATM 5779 O O . HOH CA 5 . ? 20.416 7.949 31.558 1.00 36.68 ? 687 HOH A O 1 HETATM 5780 O O . HOH CA 5 . ? 13.474 -22.250 56.690 1.00 32.17 ? 688 HOH A O 1 HETATM 5781 O O . HOH CA 5 . ? -3.198 -19.999 27.870 1.00 29.19 ? 689 HOH A O 1 HETATM 5782 O O . HOH CA 5 . ? 4.696 -13.115 22.268 1.00 36.83 ? 690 HOH A O 1 HETATM 5783 O O . HOH CA 5 . ? 23.987 -9.349 58.205 1.00 31.00 ? 691 HOH A O 1 HETATM 5784 O O . HOH CA 5 . ? 19.724 -29.538 53.542 1.00 41.53 ? 692 HOH A O 1 HETATM 5785 O O . HOH CA 5 . ? 0.460 -17.617 18.058 1.00 30.93 ? 693 HOH A O 1 HETATM 5786 O O . HOH CA 5 . ? 33.935 -12.181 53.360 1.00 32.61 ? 694 HOH A O 1 HETATM 5787 O O . HOH CA 5 . ? 15.309 2.569 53.571 1.00 35.72 ? 695 HOH A O 1 HETATM 5788 O O . HOH CA 5 . ? 27.185 -11.047 59.902 1.00 29.75 ? 696 HOH A O 1 HETATM 5789 O O . HOH CA 5 . ? -0.674 -8.021 41.621 1.00 44.26 ? 697 HOH A O 1 HETATM 5790 O O . HOH CA 5 . ? 12.342 -29.181 36.661 1.00 44.95 ? 698 HOH A O 1 HETATM 5791 O O . HOH CA 5 . ? 7.646 -20.481 53.301 1.00 38.52 ? 699 HOH A O 1 HETATM 5792 O O . HOH CA 5 . ? 16.524 4.505 26.969 1.00 40.11 ? 700 HOH A O 1 HETATM 5793 O O . HOH CA 5 . ? 13.063 10.820 45.830 1.00 34.64 ? 701 HOH A O 1 HETATM 5794 O O . HOH CA 5 . ? 19.098 -17.390 28.875 1.00 41.13 ? 702 HOH A O 1 HETATM 5795 O O . HOH CA 5 . ? 29.035 -11.074 56.782 1.00 28.79 ? 703 HOH A O 1 HETATM 5796 O O . HOH CA 5 . ? 6.934 -25.721 16.933 1.00 32.45 ? 704 HOH A O 1 HETATM 5797 O O . HOH CA 5 . ? 16.440 -5.030 21.613 1.00 35.18 ? 705 HOH A O 1 HETATM 5798 O O . HOH CA 5 . ? 12.915 -33.120 13.430 1.00 42.36 ? 706 HOH A O 1 HETATM 5799 O O . HOH CA 5 . ? 12.611 -30.366 16.718 1.00 31.74 ? 707 HOH A O 1 HETATM 5800 O O . HOH CA 5 . ? -3.283 -19.487 25.129 1.00 40.69 ? 708 HOH A O 1 HETATM 5801 O O . HOH CA 5 . ? 30.924 -3.104 57.654 1.00 41.05 ? 709 HOH A O 1 HETATM 5802 O O . HOH CA 5 . ? 18.127 -9.348 53.696 1.00 50.27 ? 710 HOH A O 1 HETATM 5803 O O . HOH CA 5 . ? 21.642 18.768 34.047 1.00 38.20 ? 711 HOH A O 1 HETATM 5804 O O . HOH CA 5 . ? 22.354 13.698 26.900 1.00 44.01 ? 712 HOH A O 1 HETATM 5805 O O . HOH CA 5 . ? 9.291 -11.537 21.568 1.00 44.91 ? 713 HOH A O 1 HETATM 5806 O O . HOH CA 5 . ? 9.136 3.261 46.288 1.00 33.96 ? 714 HOH A O 1 HETATM 5807 O O . HOH CA 5 . ? 22.761 -4.204 28.764 1.00 39.93 ? 715 HOH A O 1 HETATM 5808 O O . HOH CA 5 . ? 20.640 19.277 38.269 1.00 32.00 ? 716 HOH A O 1 HETATM 5809 O O . HOH CA 5 . ? 16.196 7.265 26.727 1.00 35.96 ? 717 HOH A O 1 HETATM 5810 O O . HOH CA 5 . ? -3.504 -9.297 39.826 1.00 52.22 ? 718 HOH A O 1 HETATM 5811 O O . HOH CA 5 . ? 14.954 10.267 53.242 1.00 40.06 ? 719 HOH A O 1 HETATM 5812 O O . HOH CA 5 . ? 10.946 -14.270 60.889 1.00 38.71 ? 720 HOH A O 1 HETATM 5813 O O . HOH CA 5 . ? -0.595 -28.620 27.379 1.00 35.74 ? 721 HOH A O 1 HETATM 5814 O O . HOH CA 5 . ? 31.003 -27.886 59.829 1.00 39.14 ? 722 HOH A O 1 HETATM 5815 O O . HOH CA 5 . ? 9.337 -30.676 53.284 1.00 46.79 ? 723 HOH A O 1 HETATM 5816 O O . HOH CA 5 . ? 2.317 5.649 38.162 1.00 35.36 ? 724 HOH A O 1 HETATM 5817 O O . HOH CA 5 . ? 17.645 -0.443 57.168 1.00 40.04 ? 725 HOH A O 1 HETATM 5818 O O . HOH CA 5 . ? 20.429 -11.997 29.633 1.00 37.19 ? 726 HOH A O 1 HETATM 5819 O O . HOH CA 5 . ? 18.960 -14.347 60.748 1.00 38.84 ? 727 HOH A O 1 HETATM 5820 O O . HOH CA 5 . ? 9.310 -32.491 36.851 1.00 39.47 ? 728 HOH A O 1 HETATM 5821 O O . HOH CA 5 . ? 27.329 -1.453 33.793 1.00 38.20 ? 729 HOH A O 1 HETATM 5822 O O . HOH CA 5 . ? 28.685 -4.529 61.527 1.00 43.28 ? 730 HOH A O 1 HETATM 5823 O O . HOH CA 5 . ? 25.842 -21.958 65.435 1.00 40.55 ? 731 HOH A O 1 HETATM 5824 O O . HOH CA 5 . ? 2.734 1.874 36.760 1.00 38.64 ? 732 HOH A O 1 HETATM 5825 O O . HOH CA 5 . ? 26.451 -32.704 55.658 1.00 54.25 ? 733 HOH A O 1 HETATM 5826 O O . HOH CA 5 . ? -3.121 -17.022 31.117 1.00 37.57 ? 734 HOH A O 1 HETATM 5827 O O . HOH CA 5 . ? 30.982 -0.323 54.612 1.00 41.01 ? 735 HOH A O 1 HETATM 5828 O O . HOH CA 5 . ? 10.002 -10.047 37.412 1.00 31.31 ? 736 HOH A O 1 HETATM 5829 O O . HOH CA 5 . ? 7.897 -22.107 19.384 1.00 29.72 ? 737 HOH A O 1 HETATM 5830 O O . HOH CA 5 . ? 15.069 14.204 39.761 1.00 35.33 ? 738 HOH A O 1 HETATM 5831 O O . HOH CA 5 . ? 32.428 -8.658 46.548 1.00 31.75 ? 739 HOH A O 1 HETATM 5832 O O . HOH CA 5 . ? 30.403 2.349 51.421 1.00 36.29 ? 740 HOH A O 1 HETATM 5833 O O . HOH CA 5 . ? 20.968 9.264 61.527 1.00 42.54 ? 741 HOH A O 1 HETATM 5834 O O . HOH CA 5 . ? 5.414 -21.470 18.971 1.00 35.47 ? 742 HOH A O 1 HETATM 5835 O O . HOH CA 5 . ? 22.379 -28.684 47.708 1.00 46.71 ? 743 HOH A O 1 HETATM 5836 O O . HOH CA 5 . ? 14.293 -29.909 25.134 1.00 35.26 ? 744 HOH A O 1 HETATM 5837 O O . HOH CA 5 . ? 15.730 0.262 21.055 1.00 41.29 ? 745 HOH A O 1 HETATM 5838 O O . HOH CA 5 . ? 3.610 -25.742 53.335 1.00 38.73 ? 746 HOH A O 1 HETATM 5839 O O . HOH CA 5 . ? -1.366 8.958 30.865 1.00 41.45 ? 747 HOH A O 1 HETATM 5840 O O . HOH CA 5 . ? 10.589 -31.369 49.918 1.00 40.94 ? 748 HOH A O 1 HETATM 5841 O O . HOH CA 5 . ? 9.341 7.363 21.700 1.00 44.11 ? 749 HOH A O 1 HETATM 5842 O O . HOH CA 5 . ? 11.648 -28.864 24.244 1.00 29.20 ? 750 HOH A O 1 HETATM 5843 O O . HOH CA 5 . ? 25.612 -27.867 38.880 1.00 43.93 ? 751 HOH A O 1 HETATM 5844 O O . HOH CA 5 . ? 29.255 4.675 39.351 1.00 42.36 ? 752 HOH A O 1 HETATM 5845 O O . HOH CA 5 . ? 1.270 -11.272 46.677 1.00 38.59 ? 753 HOH A O 1 HETATM 5846 O O . HOH CA 5 . ? 12.963 4.432 50.002 1.00 49.09 ? 754 HOH A O 1 HETATM 5847 O O . HOH CA 5 . ? 0.069 -15.619 16.845 1.00 31.74 ? 755 HOH A O 1 HETATM 5848 O O . HOH CA 5 . ? 32.620 -22.497 43.640 1.00 42.05 ? 756 HOH A O 1 HETATM 5849 O O . HOH CA 5 . ? 22.701 10.986 52.260 1.00 41.26 ? 757 HOH A O 1 HETATM 5850 O O . HOH CA 5 . ? 34.610 -10.281 61.501 1.00 43.78 ? 758 HOH A O 1 HETATM 5851 O O . HOH CA 5 . ? 1.653 -1.114 26.260 1.00 46.69 ? 759 HOH A O 1 HETATM 5852 O O . HOH CA 5 . ? -7.117 -20.469 18.297 1.00 32.50 ? 760 HOH A O 1 HETATM 5853 O O . HOH CA 5 . ? 15.699 -20.504 18.629 1.00 47.34 ? 761 HOH A O 1 HETATM 5854 O O . HOH CA 5 . ? 17.789 -32.516 38.999 1.00 51.69 ? 762 HOH A O 1 HETATM 5855 O O . HOH CA 5 . ? 13.423 12.421 53.020 1.00 44.13 ? 763 HOH A O 1 HETATM 5856 O O . HOH CA 5 . ? 29.718 5.120 58.422 1.00 46.24 ? 764 HOH A O 1 HETATM 5857 O O . HOH CA 5 . ? 33.670 2.173 43.095 1.00 55.50 ? 765 HOH A O 1 HETATM 5858 O O . HOH CA 5 . ? -0.263 8.335 27.610 1.00 50.92 ? 766 HOH A O 1 HETATM 5859 O O . HOH CA 5 . ? 6.719 -27.831 41.491 1.00 47.64 ? 767 HOH A O 1 HETATM 5860 O O . HOH CA 5 . ? 25.060 12.182 39.220 1.00 34.93 ? 768 HOH A O 1 HETATM 5861 O O . HOH CA 5 . ? -1.416 14.397 36.208 1.00 47.38 ? 769 HOH A O 1 HETATM 5862 O O . HOH CA 5 . ? 18.883 -21.939 25.072 1.00 48.15 ? 770 HOH A O 1 HETATM 5863 O O . HOH CA 5 . ? 5.210 1.237 40.258 1.00 43.51 ? 771 HOH A O 1 HETATM 5864 O O . HOH CA 5 . ? 18.772 7.043 24.918 1.00 47.16 ? 772 HOH A O 1 HETATM 5865 O O . HOH CA 5 . ? 29.691 -0.568 58.044 1.00 48.09 ? 773 HOH A O 1 HETATM 5866 O O . HOH CA 5 . ? 9.348 -7.576 23.951 1.00 43.88 ? 774 HOH A O 1 HETATM 5867 O O . HOH CA 5 . ? 29.587 4.666 44.336 1.00 43.91 ? 775 HOH A O 1 HETATM 5868 O O . HOH CA 5 . ? 2.113 -15.162 40.595 1.00 33.29 ? 776 HOH A O 1 HETATM 5869 O O . HOH CA 5 . ? 12.420 -21.366 18.421 1.00 43.13 ? 777 HOH A O 1 HETATM 5870 O O . HOH CA 5 . ? 28.621 4.197 41.923 1.00 35.05 ? 778 HOH A O 1 HETATM 5871 O O . HOH CA 5 . ? 20.689 17.298 39.628 1.00 36.68 ? 779 HOH A O 1 HETATM 5872 O O . HOH CA 5 . ? 34.484 -1.035 42.282 1.00 56.70 ? 780 HOH A O 1 HETATM 5873 O O . HOH CA 5 . ? 9.975 9.593 47.040 1.00 45.04 ? 781 HOH A O 1 HETATM 5874 O O . HOH CA 5 . ? 15.211 -7.707 57.030 1.00 52.52 ? 782 HOH A O 1 HETATM 5875 O O . HOH CA 5 . ? 4.352 -4.593 44.049 1.00 38.55 ? 783 HOH A O 1 HETATM 5876 O O . HOH CA 5 . ? 7.379 9.783 41.715 1.00 51.33 ? 784 HOH A O 1 HETATM 5877 O O . HOH CA 5 . ? 5.136 -14.908 20.992 1.00 51.65 ? 785 HOH A O 1 HETATM 5878 O O . HOH CA 5 . ? 33.415 -7.902 54.382 1.00 45.42 ? 786 HOH A O 1 HETATM 5879 O O . HOH CA 5 . ? 14.919 -22.734 18.815 1.00 51.47 ? 787 HOH A O 1 HETATM 5880 O O . HOH CA 5 . ? 33.162 -16.230 60.353 1.00 38.23 ? 788 HOH A O 1 HETATM 5881 O O . HOH CA 5 . ? 18.344 -28.561 39.767 1.00 37.96 ? 789 HOH A O 1 HETATM 5882 O O . HOH CA 5 . ? -1.472 -10.085 44.431 1.00 45.39 ? 790 HOH A O 1 HETATM 5883 O O . HOH CA 5 . ? 4.550 -28.232 32.931 1.00 44.25 ? 791 HOH A O 1 HETATM 5884 O O . HOH CA 5 . ? 2.453 -8.833 25.199 1.00 48.69 ? 792 HOH A O 1 HETATM 5885 O O . HOH CA 5 . ? 18.687 -2.641 55.913 1.00 38.57 ? 793 HOH A O 1 HETATM 5886 O O . HOH CA 5 . ? 10.548 12.314 43.086 1.00 54.23 ? 794 HOH A O 1 HETATM 5887 O O . HOH CA 5 . ? 15.080 -1.905 31.749 1.00 37.60 ? 795 HOH A O 1 HETATM 5888 O O . HOH CA 5 . ? 12.182 -3.514 53.791 1.00 48.71 ? 796 HOH A O 1 HETATM 5889 O O . HOH CA 5 . ? 18.672 -10.143 26.397 1.00 47.05 ? 797 HOH A O 1 HETATM 5890 O O . HOH CA 5 . ? 26.548 -9.725 36.148 1.00 45.56 ? 798 HOH A O 1 HETATM 5891 O O . HOH CA 5 . ? 13.715 -15.584 24.563 1.00 22.14 ? 799 HOH A O 1 HETATM 5892 O O . HOH CA 5 . ? 31.769 -21.723 62.611 1.00 37.83 ? 800 HOH A O 1 HETATM 5893 O O . HOH CA 5 . ? -1.849 -17.236 33.509 1.00 31.44 ? 801 HOH A O 1 HETATM 5894 O O . HOH CA 5 . ? 30.613 5.861 46.024 1.00 55.00 ? 802 HOH A O 1 HETATM 5895 O O . HOH CA 5 . ? 13.027 -31.358 21.101 1.00 32.01 ? 803 HOH A O 1 HETATM 5896 O O . HOH CA 5 . ? 1.156 -3.540 26.110 1.00 50.55 ? 804 HOH A O 1 HETATM 5897 O O . HOH CA 5 . ? 30.772 -22.023 42.408 1.00 42.70 ? 805 HOH A O 1 HETATM 5898 O O . HOH CA 5 . ? 2.492 -8.981 27.645 1.00 41.55 ? 806 HOH A O 1 HETATM 5899 O O . HOH CA 5 . ? 15.271 -29.808 22.310 1.00 40.87 ? 807 HOH A O 1 HETATM 5900 O O . HOH CA 5 . ? 35.331 -6.164 47.813 1.00 42.73 ? 808 HOH A O 1 HETATM 5901 O O . HOH CA 5 . ? 16.790 17.381 39.498 1.00 49.76 ? 809 HOH A O 1 HETATM 5902 O O . HOH CA 5 . ? 6.869 -18.159 54.719 1.00 47.93 ? 810 HOH A O 1 HETATM 5903 O O . HOH CA 5 . ? 33.505 -26.348 60.991 1.00 47.52 ? 811 HOH A O 1 HETATM 5904 O O . HOH CA 5 . ? 17.668 18.027 41.420 1.00 51.04 ? 812 HOH A O 1 HETATM 5905 O O . HOH CA 5 . ? 16.666 -24.406 17.706 1.00 52.78 ? 813 HOH A O 1 HETATM 5906 O O . HOH CA 5 . ? 23.078 15.948 39.832 1.00 49.09 ? 814 HOH A O 1 HETATM 5907 O O . HOH CA 5 . ? 10.912 -30.762 22.528 1.00 41.84 ? 815 HOH A O 1 HETATM 5908 O O . HOH CA 5 . ? 11.764 -31.660 27.695 1.00 40.79 ? 816 HOH A O 1 HETATM 5909 O O . HOH CA 5 . ? 16.895 -31.794 45.441 1.00 45.20 ? 817 HOH A O 1 HETATM 5910 O O . HOH CA 5 . ? 21.782 -3.281 26.488 1.00 50.32 ? 818 HOH A O 1 HETATM 5911 O O . HOH CA 5 . ? 14.461 -13.136 59.251 1.00 53.34 ? 819 HOH A O 1 HETATM 5912 O O . HOH CA 5 . ? 19.783 21.689 39.219 1.00 47.55 ? 820 HOH A O 1 HETATM 5913 O O . HOH CA 5 . ? -3.103 -22.371 39.101 1.00 46.31 ? 821 HOH A O 1 HETATM 5914 O O . HOH CA 5 . ? 13.031 -18.453 62.190 1.00 42.44 ? 822 HOH A O 1 HETATM 5915 O O . HOH CA 5 . ? 19.351 -25.305 24.241 1.00 50.46 ? 823 HOH A O 1 HETATM 5916 O O . HOH CA 5 . ? 21.825 8.985 55.739 1.00 42.03 ? 824 HOH A O 1 HETATM 5917 O O . HOH CA 5 . ? 32.446 -19.985 60.975 1.00 50.71 ? 825 HOH A O 1 HETATM 5918 O O . HOH CA 5 . ? 32.452 -5.193 59.829 1.00 48.64 ? 826 HOH A O 1 HETATM 5919 O O . HOH CA 5 . ? 12.874 -33.526 19.587 1.00 41.57 ? 827 HOH A O 1 HETATM 5920 O O . HOH CA 5 . ? 17.988 19.879 28.627 1.00 52.39 ? 828 HOH A O 1 HETATM 5921 O O . HOH CA 5 . ? 20.561 -8.343 58.602 1.00 49.82 ? 829 HOH A O 1 HETATM 5922 O O . HOH CA 5 . ? -4.156 -18.547 34.503 1.00 43.92 ? 830 HOH A O 1 HETATM 5923 O O . HOH CA 5 . ? 34.929 -7.429 45.728 1.00 56.23 ? 831 HOH A O 1 HETATM 5924 O O . HOH CA 5 . ? 23.641 13.958 38.386 1.00 45.22 ? 832 HOH A O 1 HETATM 5925 O O . HOH CA 5 . ? 9.823 -20.248 18.320 1.00 53.15 ? 833 HOH A O 1 HETATM 5926 O O . HOH CA 5 . ? 5.745 -34.509 26.890 1.00 52.01 ? 834 HOH A O 1 HETATM 5927 O O . HOH CA 5 . ? 16.568 -31.459 18.213 1.00 47.33 ? 835 HOH A O 1 HETATM 5928 O O . HOH CA 5 . ? 16.742 15.413 48.463 1.00 47.79 ? 836 HOH A O 1 HETATM 5929 O O . HOH CA 5 . ? 25.184 -24.738 62.407 1.00 44.74 ? 837 HOH A O 1 HETATM 5930 O O . HOH CA 5 . ? 15.930 -32.773 31.505 1.00 50.81 ? 838 HOH A O 1 HETATM 5931 O O . HOH CA 5 . ? 31.685 -12.794 54.602 1.00 37.84 ? 839 HOH A O 1 HETATM 5932 O O . HOH CA 5 . ? 8.004 -31.157 44.315 1.00 45.13 ? 840 HOH A O 1 HETATM 5933 O O . HOH CA 5 . ? 22.239 -29.365 51.874 1.00 48.72 ? 841 HOH A O 1 HETATM 5934 O O . HOH CA 5 . ? 10.985 9.905 45.169 1.00 54.40 ? 842 HOH A O 1 HETATM 5935 O O . HOH CA 5 . ? 7.463 -12.052 53.106 1.00 54.09 ? 843 HOH A O 1 HETATM 5936 O O . HOH CA 5 . ? 10.813 -2.722 43.880 1.00 54.04 ? 844 HOH A O 1 HETATM 5937 O O . HOH CA 5 . ? 36.761 -13.232 58.831 1.00 50.59 ? 845 HOH A O 1 HETATM 5938 O O . HOH CA 5 . ? 16.101 -33.370 47.699 1.00 56.38 ? 846 HOH A O 1 HETATM 5939 O O . HOH CA 5 . ? 20.632 -20.709 25.467 1.00 54.56 ? 847 HOH A O 1 HETATM 5940 O O . HOH CA 5 . ? 10.749 2.351 49.115 1.00 49.75 ? 848 HOH A O 1 HETATM 5941 O O . HOH CA 5 . ? -4.850 -16.284 41.490 1.00 52.44 ? 849 HOH A O 1 HETATM 5942 O O . HOH CA 5 . ? 21.277 -18.567 32.767 1.00 47.19 ? 850 HOH A O 1 HETATM 5943 O O . HOH CA 5 . ? -3.847 -25.221 39.906 1.00 52.27 ? 851 HOH A O 1 HETATM 5944 O O . HOH CA 5 . ? 23.748 17.594 29.260 1.00 58.60 ? 852 HOH A O 1 HETATM 5945 O O . HOH CA 5 . ? 19.512 -22.623 32.468 1.00 48.11 ? 853 HOH A O 1 HETATM 5946 O O . HOH CA 5 . ? 32.819 -24.497 63.288 1.00 50.98 ? 854 HOH A O 1 HETATM 5947 O O . HOH CA 5 . ? 35.608 -14.862 60.018 1.00 49.42 ? 855 HOH A O 1 HETATM 5948 O O . HOH CA 5 . ? 14.411 15.786 50.248 1.00 53.75 ? 856 HOH A O 1 HETATM 5949 O O . HOH CA 5 . ? 20.449 -24.615 31.352 1.00 51.93 ? 857 HOH A O 1 HETATM 5950 O O . HOH CA 5 . ? 19.854 -24.502 28.874 1.00 52.64 ? 858 HOH A O 1 HETATM 5951 O O . HOH CA 5 . ? -1.864 -26.084 44.044 1.00 50.69 ? 859 HOH A O 1 HETATM 5952 O O . HOH CA 5 . ? 22.800 -15.784 63.833 1.00 46.50 ? 860 HOH A O 1 HETATM 5953 O O . HOH CA 5 . ? 13.784 -33.014 53.366 1.00 47.11 ? 861 HOH A O 1 HETATM 5954 O O . HOH CA 5 . ? 17.588 -9.163 19.559 1.00 46.83 ? 862 HOH A O 1 HETATM 5955 O O . HOH CA 5 . ? 20.568 10.077 53.024 1.00 50.58 ? 863 HOH A O 1 HETATM 5956 O O . HOH CA 5 . ? 30.499 -23.042 39.893 1.00 52.10 ? 864 HOH A O 1 HETATM 5957 O O . HOH CA 5 . ? 6.421 -3.320 38.665 1.00 44.40 ? 865 HOH A O 1 HETATM 5958 O O . HOH CA 5 . ? 24.416 14.115 29.559 1.00 54.28 ? 866 HOH A O 1 HETATM 5959 O O . HOH CA 5 . ? 25.642 7.617 30.597 1.00 53.94 ? 867 HOH A O 1 HETATM 5960 O O . HOH CA 5 . ? 24.720 -16.839 32.647 1.00 55.94 ? 868 HOH A O 1 HETATM 5961 O O . HOH CA 5 . ? 3.841 -33.690 28.769 1.00 57.26 ? 869 HOH A O 1 HETATM 5962 O O . HOH CA 5 . ? 26.650 -29.766 40.849 1.00 57.02 ? 870 HOH A O 1 HETATM 5963 O O . HOH CA 5 . ? 11.887 -33.051 51.963 1.00 54.80 ? 871 HOH A O 1 HETATM 5964 O O . HOH CA 5 . ? 21.480 -20.453 69.303 1.00 55.09 ? 872 HOH A O 1 HETATM 5965 O O . HOH CA 5 . ? 19.274 -14.181 15.839 1.00 48.70 ? 873 HOH A O 1 HETATM 5966 O O . HOH CA 5 . ? -8.687 -21.186 25.905 1.00 64.73 ? 874 HOH A O 1 HETATM 5967 O O . HOH CA 5 . ? 29.772 2.869 60.143 1.00 53.66 ? 875 HOH A O 1 HETATM 5968 O O . HOH CA 5 . ? 29.362 -30.008 40.008 1.00 54.60 ? 876 HOH A O 1 HETATM 5969 O O . HOH CA 5 . ? 14.656 -32.172 50.742 1.00 56.43 ? 877 HOH A O 1 HETATM 5970 O O . HOH CA 5 . ? 19.184 -3.029 58.860 1.00 53.26 ? 878 HOH A O 1 HETATM 5971 O O . HOH CA 5 . ? 8.255 15.516 21.952 1.00 57.58 ? 879 HOH A O 1 HETATM 5972 O O . HOH CA 5 . ? 33.415 -14.761 37.905 1.00 55.37 ? 880 HOH A O 1 HETATM 5973 O O . HOH CA 5 . ? -9.771 -18.735 20.131 1.00 52.72 ? 881 HOH A O 1 HETATM 5974 O O . HOH CA 5 . ? 14.437 15.548 42.047 1.00 53.06 ? 882 HOH A O 1 HETATM 5975 O O . HOH CA 5 . ? 22.112 -28.839 60.076 1.00 53.50 ? 883 HOH A O 1 HETATM 5976 O O . HOH CA 5 . ? 17.883 -0.672 59.484 1.00 59.47 ? 884 HOH A O 1 HETATM 5977 O O . HOH CA 5 . ? 24.024 -30.777 60.276 1.00 53.07 ? 885 HOH A O 1 HETATM 5978 O O . HOH CA 5 . ? 40.100 -16.009 37.999 1.00 65.53 ? 886 HOH A O 1 HETATM 5979 O O . HOH CA 5 . ? 11.212 -0.556 20.994 1.00 51.00 ? 887 HOH A O 1 HETATM 5980 O O . HOH CA 5 . ? -1.138 -3.053 28.514 1.00 43.39 ? 888 HOH A O 1 HETATM 5981 O O . HOH CA 5 . ? 13.511 -22.126 14.903 1.00 60.60 ? 889 HOH A O 1 HETATM 5982 O O . HOH CA 5 . ? -0.118 -28.377 23.578 1.00 43.66 ? 890 HOH A O 1 HETATM 5983 O O . HOH CA 5 . ? 19.492 -20.244 70.015 1.00 58.16 ? 891 HOH A O 1 HETATM 5984 O O . HOH CA 5 . ? 3.376 -17.126 50.419 1.00 46.92 ? 892 HOH A O 1 HETATM 5985 O O . HOH CA 5 . ? -4.212 -17.438 23.420 1.00 56.73 ? 893 HOH A O 1 HETATM 5986 O O . HOH CA 5 . ? 13.697 10.494 20.531 1.00 50.64 ? 894 HOH A O 1 HETATM 5987 O O . HOH CA 5 . ? 27.616 8.252 58.816 1.00 48.70 ? 895 HOH A O 1 HETATM 5988 O O . HOH CA 5 . ? 5.434 9.252 42.336 1.00 61.50 ? 896 HOH A O 1 HETATM 5989 O O . HOH DA 5 . ? -3.202 -27.092 8.418 1.00 20.75 ? 601 HOH C O 1 HETATM 5990 O O . HOH DA 5 . ? -3.124 -24.335 7.348 1.00 22.23 ? 602 HOH C O 1 HETATM 5991 O O . HOH DA 5 . ? -6.807 -8.373 5.805 1.00 26.40 ? 603 HOH C O 1 HETATM 5992 O O . HOH DA 5 . ? -2.812 -25.903 14.638 1.00 19.35 ? 604 HOH C O 1 HETATM 5993 O O . HOH DA 5 . ? 1.179 -27.518 14.001 1.00 24.03 ? 605 HOH C O 1 HETATM 5994 O O . HOH DA 5 . ? 4.684 -35.238 2.976 1.00 25.48 ? 606 HOH C O 1 HETATM 5995 O O . HOH DA 5 . ? 3.595 -26.226 17.416 1.00 27.07 ? 607 HOH C O 1 HETATM 5996 O O . HOH DA 5 . ? -2.084 -34.274 16.042 1.00 24.05 ? 608 HOH C O 1 HETATM 5997 O O . HOH DA 5 . ? -1.737 -28.193 10.612 1.00 23.84 ? 609 HOH C O 1 HETATM 5998 O O . HOH DA 5 . ? -4.145 -24.161 19.585 1.00 28.26 ? 610 HOH C O 1 HETATM 5999 O O . HOH DA 5 . ? 6.541 -27.536 1.286 1.00 25.54 ? 611 HOH C O 1 HETATM 6000 O O . HOH DA 5 . ? 3.694 -17.747 3.463 1.00 25.78 ? 612 HOH C O 1 HETATM 6001 O O . HOH DA 5 . ? -12.585 -31.923 6.193 1.00 34.68 ? 613 HOH C O 1 HETATM 6002 O O . HOH DA 5 . ? 9.476 -21.650 5.915 1.00 27.28 ? 614 HOH C O 1 HETATM 6003 O O . HOH DA 5 . ? -8.959 -22.701 16.047 1.00 28.57 ? 615 HOH C O 1 HETATM 6004 O O . HOH DA 5 . ? 7.262 -36.359 2.969 1.00 28.97 ? 616 HOH C O 1 HETATM 6005 O O . HOH DA 5 . ? 6.336 -26.249 13.406 1.00 34.54 ? 617 HOH C O 1 HETATM 6006 O O . HOH DA 5 . ? -9.976 -24.109 13.765 1.00 31.68 ? 618 HOH C O 1 HETATM 6007 O O . HOH DA 5 . ? -0.725 -24.680 15.786 1.00 28.33 ? 619 HOH C O 1 HETATM 6008 O O . HOH DA 5 . ? 8.600 -30.618 6.764 1.00 33.46 ? 620 HOH C O 1 HETATM 6009 O O . HOH DA 5 . ? -21.551 -20.595 3.247 1.00 33.29 ? 621 HOH C O 1 HETATM 6010 O O . HOH DA 5 . ? -2.600 -14.471 15.983 1.00 29.76 ? 622 HOH C O 1 HETATM 6011 O O . HOH DA 5 . ? 5.753 -32.578 2.719 1.00 25.36 ? 623 HOH C O 1 HETATM 6012 O O . HOH DA 5 . ? 3.122 -15.459 2.024 1.00 29.81 ? 624 HOH C O 1 HETATM 6013 O O . HOH DA 5 . ? 6.981 -13.358 9.119 1.00 32.06 ? 625 HOH C O 1 HETATM 6014 O O . HOH DA 5 . ? -3.660 -35.748 14.381 1.00 29.35 ? 626 HOH C O 1 HETATM 6015 O O . HOH DA 5 . ? 12.597 -33.022 16.753 1.00 36.75 ? 627 HOH C O 1 HETATM 6016 O O . HOH DA 5 . ? 3.117 -40.213 19.685 1.00 34.57 ? 628 HOH C O 1 HETATM 6017 O O . HOH DA 5 . ? 7.336 -21.337 1.338 1.00 30.97 ? 629 HOH C O 1 HETATM 6018 O O . HOH DA 5 . ? -7.937 -17.850 -2.969 1.00 31.80 ? 630 HOH C O 1 HETATM 6019 O O . HOH DA 5 . ? -14.134 -27.846 17.171 1.00 36.47 ? 631 HOH C O 1 HETATM 6020 O O . HOH DA 5 . ? -6.663 -23.196 19.073 1.00 35.07 ? 632 HOH C O 1 HETATM 6021 O O . HOH DA 5 . ? 9.404 -20.988 3.291 1.00 37.19 ? 633 HOH C O 1 HETATM 6022 O O . HOH DA 5 . ? 7.620 -27.010 10.412 1.00 29.01 ? 634 HOH C O 1 HETATM 6023 O O . HOH DA 5 . ? -22.779 -26.141 24.742 1.00 38.32 ? 635 HOH C O 1 HETATM 6024 O O . HOH DA 5 . ? -1.035 -9.713 11.177 1.00 38.99 ? 636 HOH C O 1 HETATM 6025 O O . HOH DA 5 . ? 10.365 -40.706 -3.185 1.00 36.25 ? 637 HOH C O 1 HETATM 6026 O O . HOH DA 5 . ? -6.091 -41.467 -2.576 1.00 33.60 ? 638 HOH C O 1 HETATM 6027 O O . HOH DA 5 . ? 2.818 -28.293 12.051 1.00 35.74 ? 639 HOH C O 1 HETATM 6028 O O . HOH DA 5 . ? 10.428 -28.765 7.428 1.00 36.93 ? 640 HOH C O 1 HETATM 6029 O O . HOH DA 5 . ? -18.781 -26.770 15.681 1.00 32.54 ? 641 HOH C O 1 HETATM 6030 O O . HOH DA 5 . ? -6.663 -14.119 0.297 1.00 39.47 ? 642 HOH C O 1 HETATM 6031 O O . HOH DA 5 . ? -2.418 -29.516 -0.960 1.00 29.03 ? 643 HOH C O 1 HETATM 6032 O O . HOH DA 5 . ? -7.306 -51.486 32.990 1.00 56.77 ? 644 HOH C O 1 HETATM 6033 O O . HOH DA 5 . ? -11.118 -46.738 9.094 1.00 37.56 ? 645 HOH C O 1 HETATM 6034 O O . HOH DA 5 . ? 5.096 -34.108 22.549 1.00 29.90 ? 646 HOH C O 1 HETATM 6035 O O . HOH DA 5 . ? -6.140 -49.880 12.344 1.00 43.26 ? 647 HOH C O 1 HETATM 6036 O O . HOH DA 5 . ? -9.379 -15.489 20.519 1.00 40.18 ? 648 HOH C O 1 HETATM 6037 O O . HOH DA 5 . ? -28.074 -37.128 9.001 1.00 50.36 ? 649 HOH C O 1 HETATM 6038 O O . HOH DA 5 . ? -13.164 -26.584 15.150 1.00 33.25 ? 650 HOH C O 1 HETATM 6039 O O . HOH DA 5 . ? -5.339 -38.477 24.699 1.00 33.37 ? 651 HOH C O 1 HETATM 6040 O O . HOH DA 5 . ? -10.213 -26.501 13.614 1.00 40.24 ? 652 HOH C O 1 HETATM 6041 O O . HOH DA 5 . ? -13.701 -4.414 12.882 1.00 40.74 ? 653 HOH C O 1 HETATM 6042 O O . HOH DA 5 . ? -0.159 -29.215 -2.049 1.00 40.08 ? 654 HOH C O 1 HETATM 6043 O O . HOH DA 5 . ? -9.101 -44.818 8.463 1.00 33.84 ? 655 HOH C O 1 HETATM 6044 O O . HOH DA 5 . ? 9.426 -44.407 11.593 1.00 36.35 ? 656 HOH C O 1 HETATM 6045 O O . HOH DA 5 . ? -25.589 -17.005 10.167 1.00 37.13 ? 657 HOH C O 1 HETATM 6046 O O . HOH DA 5 . ? -10.966 -48.046 6.270 1.00 44.85 ? 658 HOH C O 1 HETATM 6047 O O . HOH DA 5 . ? -1.877 -40.142 -3.189 1.00 37.68 ? 659 HOH C O 1 HETATM 6048 O O . HOH DA 5 . ? -4.928 -23.527 -5.530 1.00 46.28 ? 660 HOH C O 1 HETATM 6049 O O . HOH DA 5 . ? 3.728 -20.516 14.245 1.00 32.20 ? 661 HOH C O 1 HETATM 6050 O O . HOH DA 5 . ? -9.007 -29.346 12.045 1.00 28.33 ? 662 HOH C O 1 HETATM 6051 O O . HOH DA 5 . ? 7.008 -39.254 2.898 1.00 32.22 ? 663 HOH C O 1 HETATM 6052 O O . HOH DA 5 . ? -11.857 -13.187 -0.121 1.00 40.95 ? 664 HOH C O 1 HETATM 6053 O O . HOH DA 5 . ? 15.976 -32.892 7.605 1.00 44.12 ? 665 HOH C O 1 HETATM 6054 O O . HOH DA 5 . ? 13.083 -38.959 7.248 1.00 32.55 ? 666 HOH C O 1 HETATM 6055 O O . HOH DA 5 . ? 12.036 -40.287 18.477 1.00 35.26 ? 667 HOH C O 1 HETATM 6056 O O . HOH DA 5 . ? -25.318 -37.346 7.335 1.00 45.86 ? 668 HOH C O 1 HETATM 6057 O O . HOH DA 5 . ? 9.568 -24.250 -4.941 1.00 37.43 ? 669 HOH C O 1 HETATM 6058 O O . HOH DA 5 . ? -3.870 -40.104 -1.758 1.00 32.75 ? 670 HOH C O 1 HETATM 6059 O O . HOH DA 5 . ? 6.003 -29.207 3.146 1.00 40.74 ? 671 HOH C O 1 HETATM 6060 O O . HOH DA 5 . ? -10.292 -27.088 11.345 1.00 44.06 ? 672 HOH C O 1 HETATM 6061 O O . HOH DA 5 . ? -12.496 -45.144 10.453 1.00 40.33 ? 673 HOH C O 1 HETATM 6062 O O . HOH DA 5 . ? 3.754 -9.232 11.586 1.00 43.36 ? 674 HOH C O 1 HETATM 6063 O O . HOH DA 5 . ? -10.712 -21.648 17.728 1.00 41.97 ? 675 HOH C O 1 HETATM 6064 O O . HOH DA 5 . ? 0.871 -6.833 9.262 1.00 42.35 ? 676 HOH C O 1 HETATM 6065 O O . HOH DA 5 . ? 8.736 -18.356 4.602 1.00 38.94 ? 677 HOH C O 1 HETATM 6066 O O . HOH DA 5 . ? -25.018 -30.170 6.953 1.00 41.82 ? 678 HOH C O 1 HETATM 6067 O O . HOH DA 5 . ? -1.924 -48.935 21.993 1.00 39.46 ? 679 HOH C O 1 HETATM 6068 O O . HOH DA 5 . ? -23.353 -18.201 11.228 1.00 37.33 ? 680 HOH C O 1 HETATM 6069 O O . HOH DA 5 . ? 7.628 -46.080 3.289 1.00 47.56 ? 681 HOH C O 1 HETATM 6070 O O . HOH DA 5 . ? -3.479 -30.270 9.590 1.00 31.86 ? 682 HOH C O 1 HETATM 6071 O O . HOH DA 5 . ? 6.390 -18.077 2.500 1.00 43.88 ? 683 HOH C O 1 HETATM 6072 O O . HOH DA 5 . ? -20.395 -17.122 22.915 1.00 53.18 ? 684 HOH C O 1 HETATM 6073 O O . HOH DA 5 . ? -10.475 -21.368 20.208 1.00 49.93 ? 685 HOH C O 1 HETATM 6074 O O . HOH DA 5 . ? -21.368 -17.401 0.513 1.00 47.36 ? 686 HOH C O 1 HETATM 6075 O O . HOH DA 5 . ? 7.422 -11.642 6.943 1.00 35.66 ? 687 HOH C O 1 HETATM 6076 O O . HOH DA 5 . ? -2.534 -18.976 10.410 1.00 32.61 ? 688 HOH C O 1 HETATM 6077 O O . HOH DA 5 . ? 8.527 -28.686 0.287 1.00 37.68 ? 689 HOH C O 1 HETATM 6078 O O . HOH DA 5 . ? -19.398 -11.175 4.394 1.00 46.20 ? 690 HOH C O 1 HETATM 6079 O O . HOH DA 5 . ? -6.505 -40.929 -5.328 1.00 40.43 ? 691 HOH C O 1 HETATM 6080 O O . HOH DA 5 . ? 6.991 -19.102 0.177 1.00 45.86 ? 692 HOH C O 1 HETATM 6081 O O . HOH DA 5 . ? 12.882 -23.174 3.251 1.00 45.31 ? 693 HOH C O 1 HETATM 6082 O O . HOH DA 5 . ? 5.500 -11.235 5.255 1.00 41.87 ? 694 HOH C O 1 HETATM 6083 O O . HOH DA 5 . ? 13.963 -34.726 2.358 1.00 41.50 ? 695 HOH C O 1 HETATM 6084 O O . HOH DA 5 . ? -16.737 -26.842 27.772 1.00 46.37 ? 696 HOH C O 1 HETATM 6085 O O . HOH DA 5 . ? -12.338 -23.959 23.820 1.00 44.69 ? 697 HOH C O 1 HETATM 6086 O O . HOH DA 5 . ? -16.851 -28.840 16.048 1.00 41.86 ? 698 HOH C O 1 HETATM 6087 O O . HOH DA 5 . ? 8.238 -28.984 4.444 1.00 42.45 ? 699 HOH C O 1 HETATM 6088 O O . HOH DA 5 . ? -21.272 -12.524 5.155 1.00 44.32 ? 700 HOH C O 1 HETATM 6089 O O . HOH DA 5 . ? 8.212 -41.741 -3.177 1.00 37.24 ? 701 HOH C O 1 HETATM 6090 O O . HOH DA 5 . ? -22.335 -13.653 7.451 1.00 34.11 ? 702 HOH C O 1 HETATM 6091 O O . HOH DA 5 . ? -1.912 -35.322 5.035 1.00 34.96 ? 703 HOH C O 1 HETATM 6092 O O . HOH DA 5 . ? 7.451 -23.757 13.078 1.00 47.62 ? 704 HOH C O 1 HETATM 6093 O O . HOH DA 5 . ? 0.536 -25.727 -3.954 1.00 50.37 ? 705 HOH C O 1 HETATM 6094 O O . HOH DA 5 . ? -19.824 -26.460 1.181 1.00 52.92 ? 706 HOH C O 1 HETATM 6095 O O . HOH DA 5 . ? -15.125 -11.920 19.349 1.00 45.20 ? 707 HOH C O 1 HETATM 6096 O O . HOH DA 5 . ? -23.075 -19.613 20.971 1.00 47.92 ? 708 HOH C O 1 HETATM 6097 O O . HOH DA 5 . ? 13.256 -28.336 7.924 1.00 46.02 ? 709 HOH C O 1 HETATM 6098 O O . HOH DA 5 . ? -5.048 -2.990 13.695 1.00 51.75 ? 710 HOH C O 1 HETATM 6099 O O . HOH DA 5 . ? 3.802 -43.331 2.593 1.00 25.77 ? 711 HOH C O 1 HETATM 6100 O O . HOH DA 5 . ? -6.830 -47.840 13.528 1.00 34.69 ? 712 HOH C O 1 HETATM 6101 O O . HOH DA 5 . ? -3.504 -48.618 7.707 1.00 48.03 ? 713 HOH C O 1 HETATM 6102 O O . HOH DA 5 . ? -0.808 -26.316 -1.774 1.00 49.43 ? 714 HOH C O 1 HETATM 6103 O O . HOH DA 5 . ? -27.376 -34.273 8.180 1.00 44.87 ? 715 HOH C O 1 HETATM 6104 O O . HOH DA 5 . ? -2.633 -29.707 23.963 1.00 44.01 ? 716 HOH C O 1 HETATM 6105 O O . HOH DA 5 . ? 12.154 -21.875 6.846 1.00 47.05 ? 717 HOH C O 1 HETATM 6106 O O . HOH DA 5 . ? 7.923 -31.625 2.072 1.00 43.66 ? 718 HOH C O 1 HETATM 6107 O O . HOH DA 5 . ? 0.639 -40.294 24.230 1.00 54.98 ? 719 HOH C O 1 HETATM 6108 O O . HOH DA 5 . ? -27.511 -30.487 20.256 1.00 48.65 ? 720 HOH C O 1 HETATM 6109 O O . HOH DA 5 . ? -28.248 -44.900 9.260 1.00 48.42 ? 721 HOH C O 1 HETATM 6110 O O . HOH DA 5 . ? -1.702 -46.826 7.698 1.00 54.60 ? 722 HOH C O 1 HETATM 6111 O O . HOH DA 5 . ? -26.960 -26.710 12.452 1.00 38.55 ? 723 HOH C O 1 HETATM 6112 O O . HOH DA 5 . ? -11.311 -29.774 27.585 1.00 44.07 ? 724 HOH C O 1 HETATM 6113 O O . HOH DA 5 . ? 12.216 -36.587 -3.636 1.00 48.69 ? 725 HOH C O 1 HETATM 6114 O O . HOH DA 5 . ? -12.486 -10.837 -1.026 1.00 48.21 ? 726 HOH C O 1 HETATM 6115 O O . HOH DA 5 . ? -16.748 -0.132 4.419 1.00 46.65 ? 727 HOH C O 1 HETATM 6116 O O . HOH DA 5 . ? 9.321 -31.270 -0.063 1.00 42.05 ? 728 HOH C O 1 HETATM 6117 O O . HOH DA 5 . ? -24.344 -36.314 25.778 1.00 45.85 ? 729 HOH C O 1 HETATM 6118 O O . HOH DA 5 . ? 11.595 -38.861 -3.936 1.00 56.19 ? 730 HOH C O 1 HETATM 6119 O O . HOH DA 5 . ? -26.151 -33.750 30.713 1.00 42.80 ? 731 HOH C O 1 HETATM 6120 O O . HOH DA 5 . ? -1.443 -40.641 24.923 1.00 53.43 ? 732 HOH C O 1 HETATM 6121 O O . HOH DA 5 . ? 15.217 -35.540 16.695 1.00 43.20 ? 733 HOH C O 1 HETATM 6122 O O . HOH DA 5 . ? 15.323 -31.830 10.595 1.00 54.00 ? 734 HOH C O 1 HETATM 6123 O O . HOH DA 5 . ? -7.546 -53.755 33.484 1.00 54.33 ? 735 HOH C O 1 HETATM 6124 O O . HOH DA 5 . ? -13.198 -24.063 -2.605 1.00 51.63 ? 736 HOH C O 1 HETATM 6125 O O . HOH DA 5 . ? -25.001 -11.956 6.918 1.00 46.20 ? 737 HOH C O 1 HETATM 6126 O O . HOH DA 5 . ? -8.558 -43.938 -2.264 1.00 42.52 ? 738 HOH C O 1 HETATM 6127 O O . HOH DA 5 . ? 4.629 -45.953 3.102 1.00 51.40 ? 739 HOH C O 1 HETATM 6128 O O . HOH DA 5 . ? -8.420 -8.077 16.759 1.00 46.79 ? 740 HOH C O 1 HETATM 6129 O O . HOH DA 5 . ? -14.518 -20.096 -1.269 1.00 34.57 ? 741 HOH C O 1 HETATM 6130 O O . HOH DA 5 . ? 7.073 -38.049 20.260 1.00 46.81 ? 742 HOH C O 1 HETATM 6131 O O . HOH DA 5 . ? 3.737 -18.595 15.983 1.00 37.77 ? 743 HOH C O 1 HETATM 6132 O O . HOH DA 5 . ? -7.101 -2.265 13.590 1.00 62.45 ? 744 HOH C O 1 HETATM 6133 O O . HOH DA 5 . ? -7.706 -4.873 14.294 1.00 54.59 ? 745 HOH C O 1 HETATM 6134 O O . HOH DA 5 . ? -23.067 0.560 5.958 1.00 57.51 ? 746 HOH C O 1 HETATM 6135 O O . HOH DA 5 . ? 15.587 -39.506 8.621 1.00 48.69 ? 747 HOH C O 1 HETATM 6136 O O . HOH DA 5 . ? -0.172 -31.121 26.512 1.00 48.52 ? 748 HOH C O 1 HETATM 6137 O O . HOH DA 5 . ? 10.656 -36.976 -4.839 1.00 58.79 ? 749 HOH C O 1 HETATM 6138 O O . HOH DA 5 . ? -3.570 -15.691 -3.789 1.00 52.82 ? 750 HOH C O 1 HETATM 6139 O O . HOH DA 5 . ? 14.708 -13.828 10.513 1.00 56.19 ? 751 HOH C O 1 HETATM 6140 O O . HOH DA 5 . ? -29.900 -26.793 11.747 1.00 54.00 ? 752 HOH C O 1 HETATM 6141 O O . HOH DA 5 . ? -7.832 -23.609 -5.919 1.00 43.10 ? 753 HOH C O 1 HETATM 6142 O O . HOH DA 5 . ? 9.622 -20.624 15.374 1.00 46.52 ? 754 HOH C O 1 HETATM 6143 O O . HOH DA 5 . ? -4.587 -49.418 20.007 1.00 46.85 ? 755 HOH C O 1 HETATM 6144 O O . HOH DA 5 . ? 11.499 -35.371 -7.125 1.00 54.10 ? 756 HOH C O 1 HETATM 6145 O O . HOH DA 5 . ? -3.413 -50.505 18.220 1.00 56.40 ? 757 HOH C O 1 HETATM 6146 O O . HOH DA 5 . ? -12.542 -20.432 -2.710 1.00 57.30 ? 758 HOH C O 1 HETATM 6147 O O . HOH DA 5 . ? -5.818 -47.560 33.539 1.00 53.27 ? 759 HOH C O 1 HETATM 6148 O O . HOH DA 5 . ? -9.685 -9.019 18.766 1.00 47.14 ? 760 HOH C O 1 HETATM 6149 O O . HOH DA 5 . ? 15.907 -39.423 11.383 1.00 51.92 ? 761 HOH C O 1 HETATM 6150 O O . HOH DA 5 . ? -20.751 -50.502 23.783 1.00 48.68 ? 762 HOH C O 1 HETATM 6151 O O . HOH DA 5 . ? -5.885 -17.945 -4.662 1.00 55.32 ? 763 HOH C O 1 HETATM 6152 O O . HOH DA 5 . ? 7.179 -48.271 2.574 1.00 58.08 ? 764 HOH C O 1 HETATM 6153 O O . HOH DA 5 . ? -10.784 -24.450 -4.712 1.00 49.95 ? 765 HOH C O 1 HETATM 6154 O O . HOH DA 5 . ? -4.945 -49.606 32.318 1.00 58.49 ? 766 HOH C O 1 HETATM 6155 O O . HOH DA 5 . ? -10.250 -19.212 -4.017 1.00 58.70 ? 767 HOH C O 1 HETATM 6156 O O . HOH DA 5 . ? -22.751 -4.807 1.335 1.00 56.40 ? 768 HOH C O 1 HETATM 6157 O O . HOH DA 5 . ? -6.588 -45.998 -1.849 1.00 53.03 ? 769 HOH C O 1 HETATM 6158 O O . HOH DA 5 . ? 9.064 -9.417 7.076 1.00 56.03 ? 770 HOH C O 1 HETATM 6159 O O . HOH DA 5 . ? -1.112 -36.525 24.545 1.00 52.05 ? 771 HOH C O 1 HETATM 6160 O O . HOH DA 5 . ? -0.537 -8.062 17.073 1.00 50.15 ? 772 HOH C O 1 HETATM 6161 O O . HOH DA 5 . ? 2.598 -47.285 12.521 1.00 48.76 ? 773 HOH C O 1 HETATM 6162 O O . HOH DA 5 . ? -22.948 -23.703 20.534 1.00 39.48 ? 774 HOH C O 1 HETATM 6163 O O . HOH DA 5 . ? 2.910 -15.828 16.126 1.00 43.70 ? 775 HOH C O 1 HETATM 6164 O O . HOH DA 5 . ? -14.705 -47.531 28.903 1.00 47.67 ? 776 HOH C O 1 HETATM 6165 O O . HOH DA 5 . ? 0.692 -3.931 8.705 1.00 46.54 ? 777 HOH C O 1 HETATM 6166 O O . HOH DA 5 . ? -17.949 -43.024 3.788 1.00 45.88 ? 778 HOH C O 1 HETATM 6167 O O . HOH DA 5 . ? -16.774 -44.971 29.755 1.00 48.23 ? 779 HOH C O 1 HETATM 6168 O O . HOH DA 5 . ? -19.169 -26.731 4.443 1.00 62.62 ? 780 HOH C O 1 HETATM 6169 O O . HOH DA 5 . ? -12.643 -47.114 29.766 1.00 56.95 ? 781 HOH C O 1 HETATM 6170 O O . HOH DA 5 . ? -38.454 -6.905 23.223 1.00 62.20 ? 782 HOH C O 1 HETATM 6171 O O . HOH DA 5 . ? -14.028 -44.994 29.684 1.00 59.08 ? 783 HOH C 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 . VAL A 1 ? 0.9700 0.8007 0.9188 0.1150 -0.1384 0.1131 44 VAL A N 2 C CA . VAL A 1 ? 0.9280 0.7649 0.8521 0.0986 -0.1329 0.1207 44 VAL A CA 3 C C . VAL A 1 ? 0.7554 0.5970 0.6787 0.0829 -0.1139 0.1146 44 VAL A C 4 O O . VAL A 1 ? 0.7597 0.5807 0.6847 0.0782 -0.1084 0.1164 44 VAL A O 5 C CB . VAL A 1 ? 0.9382 0.7454 0.8320 0.0945 -0.1422 0.1414 44 VAL A CB 6 C CG1 . VAL A 1 ? 0.9425 0.7583 0.8080 0.0792 -0.1349 0.1481 44 VAL A CG1 7 C CG2 . VAL A 1 ? 1.0186 0.8245 0.9163 0.1095 -0.1589 0.1462 44 VAL A CG2 8 N N . TRP A 2 ? 0.6746 0.5422 0.5957 0.0750 -0.1050 0.1074 45 TRP A N 9 C CA . TRP A 2 ? 0.5257 0.4013 0.4486 0.0620 -0.0875 0.1009 45 TRP A CA 10 C C . TRP A 2 ? 0.6023 0.4905 0.5038 0.0511 -0.0801 0.1031 45 TRP A C 11 O O . TRP A 2 ? 0.6093 0.4996 0.4926 0.0531 -0.0891 0.1086 45 TRP A O 12 C CB . TRP A 2 ? 0.5423 0.4389 0.4931 0.0665 -0.0814 0.0834 45 TRP A CB 13 C CG . TRP A 2 ? 0.5511 0.4752 0.5120 0.0726 -0.0864 0.0749 45 TRP A CG 14 C CD1 . TRP A 2 ? 0.5805 0.5235 0.5342 0.0649 -0.0820 0.0701 45 TRP A CD1 15 C CD2 . TRP A 2 ? 0.5892 0.5250 0.5706 0.0872 -0.0973 0.0702 45 TRP A CD2 16 N NE1 . TRP A 2 ? 0.5777 0.5423 0.5463 0.0719 -0.0908 0.0634 45 TRP A NE1 17 C CE2 . TRP A 2 ? 0.5745 0.5378 0.5619 0.0856 -0.0996 0.0638 45 TRP A CE2 18 C CE3 . TRP A 2 ? 0.6954 0.6212 0.6915 0.1020 -0.1052 0.0705 45 TRP A CE3 19 C CZ2 . TRP A 2 ? 0.7169 0.7016 0.7274 0.0968 -0.1093 0.0592 45 TRP A CZ2 20 C CZ3 . TRP A 2 ? 0.7977 0.7455 0.8162 0.1155 -0.1136 0.0652 45 TRP A CZ3 21 C CH2 . TRP A 2 ? 0.8039 0.7826 0.8309 0.1120 -0.1154 0.0602 45 TRP A CH2 22 N N . LYS A 3 ? 0.5196 0.4154 0.4227 0.0404 -0.0642 0.0983 46 LYS A N 23 C CA . LYS A 3 ? 0.5563 0.4645 0.4408 0.0318 -0.0547 0.0975 46 LYS A CA 24 C C . LYS A 3 ? 0.4435 0.3677 0.3442 0.0261 -0.0399 0.0852 46 LYS A C 25 O O . LYS A 3 ? 0.4360 0.3569 0.3560 0.0249 -0.0354 0.0822 46 LYS A O 26 C CB . LYS A 3 ? 0.6665 0.5590 0.5234 0.0230 -0.0496 0.1143 46 LYS A CB 27 C CG . LYS A 3 ? 0.7108 0.5925 0.5768 0.0138 -0.0391 0.1209 46 LYS A CG 28 C CD . LYS A 3 ? 0.8428 0.7126 0.6826 0.0036 -0.0327 0.1392 46 LYS A CD 29 C CE . LYS A 3 ? 0.8705 0.7330 0.7235 -0.0077 -0.0226 0.1465 46 LYS A CE 30 N NZ . LYS A 3 ? 0.9198 0.8046 0.7920 -0.0122 -0.0080 0.1339 46 LYS A NZ 31 N N . ASP A 4 ? 0.4716 0.4113 0.3632 0.0230 -0.0336 0.0778 47 ASP A N 32 C CA . ASP A 4 ? 0.3859 0.3395 0.2911 0.0184 -0.0203 0.0669 47 ASP A CA 33 C C . ASP A 4 ? 0.4081 0.3562 0.3144 0.0098 -0.0071 0.0743 47 ASP A C 34 O O . ASP A 4 ? 0.4827 0.4225 0.3693 0.0046 -0.0030 0.0869 47 ASP A O 35 C CB . ASP A 4 ? 0.4886 0.4543 0.3788 0.0170 -0.0166 0.0588 47 ASP A CB 36 C CG . ASP A 4 ? 0.5738 0.5482 0.4690 0.0230 -0.0299 0.0500 47 ASP A CG 37 O OD1 . ASP A 4 ? 0.5043 0.4814 0.4209 0.0287 -0.0386 0.0483 47 ASP A OD1 38 O OD2 . ASP A 4 ? 0.7745 0.7537 0.6528 0.0218 -0.0317 0.0445 47 ASP A OD2 39 N N . ALA A 5 ? 0.4189 0.3728 0.3486 0.0078 -0.0009 0.0673 48 ALA A N 40 C CA . ALA A 5 ? 0.3752 0.3268 0.3117 -0.0011 0.0097 0.0738 48 ALA A CA 41 C C . ALA A 5 ? 0.4070 0.3709 0.3666 -0.0025 0.0163 0.0626 48 ALA A C 42 O O . ALA A 5 ? 0.3844 0.3541 0.3557 0.0034 0.0116 0.0511 48 ALA A O 43 C CB . ALA A 5 ? 0.4164 0.3471 0.3554 -0.0034 0.0026 0.0853 48 ALA A CB 44 N N . ASP A 6 ? 0.3464 0.3153 0.3132 -0.0106 0.0271 0.0669 49 ASP A N 45 C CA . ASP A 6 ? 0.3538 0.3326 0.3429 -0.0126 0.0318 0.0586 49 ASP A CA 46 C C . ASP A 6 ? 0.3126 0.2799 0.3155 -0.0194 0.0286 0.0655 49 ASP A C 47 O O . ASP A 6 ? 0.3531 0.3104 0.3498 -0.0261 0.0289 0.0788 49 ASP A O 48 C CB . ASP A 6 ? 0.4097 0.4062 0.4000 -0.0156 0.0458 0.0569 49 ASP A CB 49 C CG . ASP A 6 ? 0.4752 0.4792 0.4502 -0.0091 0.0480 0.0481 49 ASP A CG 50 O OD1 . ASP A 6 ? 0.5260 0.5264 0.4981 -0.0033 0.0382 0.0406 49 ASP A OD1 51 O OD2 . ASP A 6 ? 0.5905 0.6041 0.5568 -0.0096 0.0594 0.0483 49 ASP A OD2 52 N N . THR A 7 ? 0.3674 0.3347 0.3873 -0.0183 0.0248 0.0566 50 THR A N 53 C CA . THR A 7 ? 0.3876 0.3423 0.4196 -0.0252 0.0202 0.0610 50 THR A CA 54 C C . THR A 7 ? 0.2959 0.2590 0.3453 -0.0257 0.0204 0.0508 50 THR A C 55 O O . THR A 7 ? 0.3244 0.3004 0.3761 -0.0197 0.0233 0.0407 50 THR A O 56 C CB . THR A 7 ? 0.4759 0.4056 0.5014 -0.0205 0.0074 0.0622 50 THR A CB 57 O OG1 . THR A 7 ? 0.5097 0.4225 0.5427 -0.0295 0.0023 0.0686 50 THR A OG1 58 C CG2 . THR A 7 ? 0.3743 0.3043 0.4034 -0.0092 0.0016 0.0480 50 THR A CG2 59 N N . THR A 8 ? 0.3535 0.3077 0.4142 -0.0337 0.0161 0.0543 51 THR A N 60 C CA . THR A 8 ? 0.3385 0.2977 0.4135 -0.0350 0.0139 0.0456 51 THR A CA 61 C C . THR A 8 ? 0.3014 0.2490 0.3709 -0.0251 0.0058 0.0336 51 THR A C 62 O O . THR A 8 ? 0.3979 0.3235 0.4615 -0.0232 -0.0032 0.0332 51 THR A O 63 C CB . THR A 8 ? 0.3212 0.2723 0.4090 -0.0475 0.0090 0.0529 51 THR A CB 64 O OG1 . THR A 8 ? 0.4111 0.3349 0.4898 -0.0497 -0.0005 0.0585 51 THR A OG1 65 C CG2 . THR A 8 ? 0.4363 0.4071 0.5357 -0.0573 0.0195 0.0646 51 THR A CG2 66 N N . LEU A 9 ? 0.2450 0.2070 0.3162 -0.0187 0.0095 0.0239 52 LEU A N 67 C CA . LEU A 9 ? 0.2482 0.2045 0.3155 -0.0097 0.0045 0.0132 52 LEU A CA 68 C C . LEU A 9 ? 0.2708 0.2210 0.3437 -0.0128 -0.0004 0.0076 52 LEU A C 69 O O . LEU A 9 ? 0.2956 0.2527 0.3789 -0.0213 0.0006 0.0109 52 LEU A O 70 C CB . LEU A 9 ? 0.2797 0.2539 0.3462 -0.0033 0.0103 0.0068 52 LEU A CB 71 C CG . LEU A 9 ? 0.3139 0.2947 0.3727 0.0001 0.0134 0.0101 52 LEU A CG 72 C CD1 . LEU A 9 ? 0.3558 0.3527 0.4157 0.0038 0.0175 0.0032 52 LEU A CD1 73 C CD2 . LEU A 9 ? 0.3509 0.3185 0.4019 0.0069 0.0064 0.0115 52 LEU A CD2 74 N N . PHE A 10 ? 0.2713 0.2095 0.3370 -0.0053 -0.0058 -0.0009 53 PHE A N 75 C CA . PHE A 10 ? 0.2555 0.1885 0.3212 -0.0065 -0.0102 -0.0081 53 PHE A CA 76 C C . PHE A 10 ? 0.2612 0.2048 0.3224 0.0026 -0.0061 -0.0173 53 PHE A C 77 O O . PHE A 10 ? 0.2905 0.2433 0.3502 0.0099 -0.0015 -0.0184 53 PHE A O 78 C CB . PHE A 10 ? 0.2632 0.1682 0.3213 -0.0072 -0.0208 -0.0104 53 PHE A CB 79 C CG . PHE A 10 ? 0.2971 0.1871 0.3433 0.0056 -0.0232 -0.0163 53 PHE A CG 80 C CD1 . PHE A 10 ? 0.2893 0.1693 0.3333 0.0083 -0.0250 -0.0098 53 PHE A CD1 81 C CD2 . PHE A 10 ? 0.2954 0.1812 0.3323 0.0156 -0.0237 -0.0280 53 PHE A CD2 82 C CE1 . PHE A 10 ? 0.4016 0.2684 0.4371 0.0217 -0.0281 -0.0150 53 PHE A CE1 83 C CE2 . PHE A 10 ? 0.4098 0.2842 0.4382 0.0293 -0.0248 -0.0339 53 PHE A CE2 84 C CZ . PHE A 10 ? 0.3823 0.2473 0.4114 0.0328 -0.0276 -0.0275 53 PHE A CZ 85 N N . CYS A 11 ? 0.2546 0.1979 0.3137 0.0014 -0.0082 -0.0230 54 CYS A N 86 C CA . CYS A 11 ? 0.2752 0.2294 0.3295 0.0083 -0.0032 -0.0298 54 CYS A CA 87 C C . CYS A 11 ? 0.3128 0.2524 0.3528 0.0154 -0.0069 -0.0390 54 CYS A C 88 O O . CYS A 11 ? 0.3024 0.2215 0.3352 0.0131 -0.0154 -0.0415 54 CYS A O 89 C CB . CYS A 11 ? 0.2987 0.2680 0.3598 0.0026 -0.0003 -0.0282 54 CYS A CB 90 S SG . CYS A 11 ? 0.3464 0.3068 0.4083 -0.0059 -0.0093 -0.0280 54 CYS A SG 91 N N . ALA A 12 ? 0.2745 0.2250 0.3102 0.0239 -0.0004 -0.0441 55 ALA A N 92 C CA . ALA A 12 ? 0.2872 0.2282 0.3076 0.0324 -0.0005 -0.0533 55 ALA A CA 93 C C . ALA A 12 ? 0.2251 0.1838 0.2428 0.0329 0.0069 -0.0550 55 ALA A C 94 O O . ALA A 12 ? 0.2802 0.2587 0.3092 0.0302 0.0129 -0.0500 55 ALA A O 95 C CB . ALA A 12 ? 0.3463 0.2828 0.3644 0.0452 0.0014 -0.0575 55 ALA A CB 96 N N . SER A 13 ? 0.2830 0.2325 0.2836 0.0358 0.0058 -0.0617 56 SER A N 97 C CA . SER A 13 ? 0.2518 0.2160 0.2464 0.0356 0.0128 -0.0620 56 SER A CA 98 C C . SER A 13 ? 0.3050 0.2579 0.2757 0.0437 0.0141 -0.0713 56 SER A C 99 O O . SER A 13 ? 0.3622 0.2927 0.3201 0.0490 0.0077 -0.0787 56 SER A O 100 C CB . SER A 13 ? 0.3671 0.3343 0.3658 0.0240 0.0085 -0.0557 56 SER A CB 101 O OG . SER A 13 ? 0.4807 0.4293 0.4652 0.0206 -0.0016 -0.0591 56 SER A OG 102 N N . ASP A 14 ? 0.2700 0.2370 0.2328 0.0445 0.0225 -0.0708 57 ASP A N 103 C CA . ASP A 14 ? 0.3541 0.3125 0.2905 0.0521 0.0257 -0.0791 57 ASP A CA 104 C C . ASP A 14 ? 0.4216 0.3713 0.3412 0.0434 0.0189 -0.0773 57 ASP A C 105 O O . ASP A 14 ? 0.4155 0.3672 0.3140 0.0463 0.0246 -0.0796 57 ASP A O 106 C CB . ASP A 14 ? 0.4356 0.4180 0.3733 0.0602 0.0416 -0.0792 57 ASP A CB 107 C CG . ASP A 14 ? 0.5734 0.5650 0.5272 0.0712 0.0470 -0.0819 57 ASP A CG 108 O OD1 . ASP A 14 ? 0.4729 0.4438 0.4219 0.0785 0.0402 -0.0888 57 ASP A OD1 109 O OD2 . ASP A 14 ? 0.6112 0.6299 0.5830 0.0721 0.0568 -0.0766 57 ASP A OD2 110 N N . ALA A 15 ? 0.3305 0.2718 0.2597 0.0329 0.0069 -0.0724 58 ALA A N 111 C CA . ALA A 15 ? 0.3877 0.3222 0.3060 0.0244 -0.0022 -0.0693 58 ALA A CA 112 C C . ALA A 15 ? 0.4298 0.3411 0.3154 0.0281 -0.0098 -0.0790 58 ALA A C 113 O O . ALA A 15 ? 0.4387 0.3316 0.3143 0.0345 -0.0137 -0.0885 58 ALA A O 114 C CB . ALA A 15 ? 0.3997 0.3323 0.3394 0.0142 -0.0134 -0.0627 58 ALA A CB 115 N N . LYS A 16 ? 0.3841 0.2942 0.2512 0.0242 -0.0128 -0.0766 59 LYS A N 116 C CA . LYS A 16 ? 0.4115 0.2985 0.2431 0.0267 -0.0216 -0.0856 59 LYS A CA 117 C C . LYS A 16 ? 0.4206 0.2922 0.2545 0.0159 -0.0424 -0.0837 59 LYS A C 118 O O . LYS A 16 ? 0.4379 0.3211 0.2896 0.0070 -0.0475 -0.0731 59 LYS A O 119 C CB . LYS A 16 ? 0.5275 0.4219 0.3332 0.0287 -0.0130 -0.0834 59 LYS A CB 120 C CG . LYS A 16 ? 0.6582 0.5760 0.4690 0.0360 0.0084 -0.0811 59 LYS A CG 121 C CD . LYS A 16 ? 0.7974 0.7233 0.5846 0.0346 0.0163 -0.0754 59 LYS A CD 122 C CE . LYS A 16 ? 0.9455 0.8996 0.7454 0.0380 0.0370 -0.0696 59 LYS A CE 123 N NZ . LYS A 16 ? 0.9803 0.9427 0.7591 0.0339 0.0447 -0.0609 59 LYS A NZ 124 N N . ALA A 17 ? 0.4819 0.3271 0.2984 0.0170 -0.0550 -0.0941 60 ALA A N 125 C CA . ALA A 17 ? 0.5272 0.3581 0.3481 0.0056 -0.0765 -0.0924 60 ALA A CA 126 C C . ALA A 17 ? 0.5408 0.3683 0.3398 0.0006 -0.0868 -0.0896 60 ALA A C 127 O O . ALA A 17 ? 0.6195 0.4452 0.4305 -0.0099 -0.1040 -0.0840 60 ALA A O 128 C CB . ALA A 17 ? 0.6527 0.4529 0.4595 0.0069 -0.0886 -0.1045 60 ALA A CB 129 N N . HIS A 18 ? 0.5086 0.3369 0.2763 0.0082 -0.0763 -0.0925 61 HIS A N 130 C CA . HIS A 18 ? 0.6264 0.4490 0.3666 0.0044 -0.0857 -0.0895 61 HIS A CA 131 C C . HIS A 18 ? 0.6309 0.4779 0.3865 0.0005 -0.0779 -0.0742 61 HIS A C 132 O O . HIS A 18 ? 0.6926 0.5364 0.4255 -0.0021 -0.0839 -0.0692 61 HIS A O 133 C CB . HIS A 18 ? 0.6156 0.4206 0.3053 0.0145 -0.0802 -0.1016 61 HIS A CB 134 C CG . HIS A 18 ? 0.6665 0.4882 0.3520 0.0258 -0.0541 -0.1028 61 HIS A CG 135 N ND1 . HIS A 18 ? 0.6647 0.4875 0.3616 0.0354 -0.0426 -0.1112 61 HIS A ND1 136 C CD2 . HIS A 18 ? 0.6795 0.5187 0.3525 0.0287 -0.0379 -0.0958 61 HIS A CD2 137 C CE1 . HIS A 18 ? 0.7568 0.5995 0.4505 0.0440 -0.0206 -0.1097 61 HIS A CE1 138 N NE2 . HIS A 18 ? 0.7537 0.6069 0.4331 0.0394 -0.0168 -0.1002 61 HIS A NE2 139 N N . GLU A 19 ? 0.4940 0.3628 0.2860 0.0001 -0.0657 -0.0669 62 GLU A N 140 C CA . GLU A 19 ? 0.4951 0.3838 0.3038 -0.0039 -0.0594 -0.0531 62 GLU A CA 141 C C . GLU A 19 ? 0.5148 0.4077 0.3516 -0.0125 -0.0750 -0.0442 62 GLU A C 142 O O . GLU A 19 ? 0.4969 0.3885 0.3568 -0.0159 -0.0836 -0.0463 62 GLU A O 143 C CB . GLU A 19 ? 0.5216 0.4307 0.3543 -0.0002 -0.0397 -0.0501 62 GLU A CB 144 C CG . GLU A 19 ? 0.6063 0.5250 0.4196 0.0048 -0.0220 -0.0486 62 GLU A CG 145 C CD . GLU A 19 ? 0.7151 0.6409 0.5246 -0.0013 -0.0216 -0.0354 62 GLU A CD 146 O OE1 . GLU A 19 ? 0.8244 0.7587 0.6183 0.0005 -0.0075 -0.0316 62 GLU A OE1 147 O OE2 . GLU A 19 ? 0.5797 0.5031 0.4030 -0.0076 -0.0352 -0.0281 62 GLU A OE2 148 N N . THR A 20 ? 0.4473 0.3459 0.2828 -0.0158 -0.0784 -0.0334 63 THR A N 149 C CA . THR A 20 ? 0.3846 0.2905 0.2496 -0.0216 -0.0915 -0.0242 63 THR A CA 150 C C . THR A 20 ? 0.3802 0.3051 0.2788 -0.0210 -0.0788 -0.0166 63 THR A C 151 O O . THR A 20 ? 0.4124 0.3462 0.3407 -0.0235 -0.0857 -0.0102 63 THR A O 152 C CB . THR A 20 ? 0.4798 0.3784 0.3252 -0.0244 -0.1055 -0.0163 63 THR A CB 153 O OG1 . THR A 20 ? 0.4927 0.3940 0.3196 -0.0223 -0.0927 -0.0097 63 THR A OG1 154 C CG2 . THR A 20 ? 0.5788 0.4566 0.3888 -0.0256 -0.1211 -0.0245 63 THR A CG2 155 N N . GLU A 21 ? 0.3462 0.2776 0.2400 -0.0173 -0.0605 -0.0177 64 GLU A N 156 C CA . GLU A 21 ? 0.3589 0.3058 0.2809 -0.0171 -0.0490 -0.0123 64 GLU A CA 157 C C . GLU A 21 ? 0.2817 0.2355 0.2350 -0.0174 -0.0503 -0.0154 64 GLU A C 158 O O . GLU A 21 ? 0.3191 0.2678 0.2702 -0.0163 -0.0511 -0.0234 64 GLU A O 159 C CB . GLU A 21 ? 0.3397 0.2934 0.2517 -0.0141 -0.0308 -0.0139 64 GLU A CB 160 C CG . GLU A 21 ? 0.2716 0.2383 0.2061 -0.0157 -0.0210 -0.0070 64 GLU A CG 161 C CD . GLU A 21 ? 0.3307 0.3063 0.2941 -0.0143 -0.0174 -0.0108 64 GLU A CD 162 O OE1 . GLU A 21 ? 0.3659 0.3408 0.3285 -0.0111 -0.0150 -0.0188 64 GLU A OE1 163 O OE2 . GLU A 21 ? 0.3431 0.3244 0.3278 -0.0158 -0.0173 -0.0058 64 GLU A OE2 164 N N . VAL A 22 ? 0.2819 0.2461 0.2629 -0.0185 -0.0503 -0.0089 65 VAL A N 165 C CA . VAL A 22 ? 0.2999 0.2720 0.3103 -0.0194 -0.0529 -0.0096 65 VAL A CA 166 C C . VAL A 22 ? 0.2453 0.2221 0.2640 -0.0176 -0.0415 -0.0152 65 VAL A C 167 O O . VAL A 22 ? 0.2480 0.2252 0.2793 -0.0194 -0.0452 -0.0176 65 VAL A O 168 C CB . VAL A 22 ? 0.2394 0.2219 0.2755 -0.0188 -0.0541 -0.0020 65 VAL A CB 169 C CG1 . VAL A 22 ? 0.3200 0.2984 0.3543 -0.0201 -0.0696 0.0041 65 VAL A CG1 170 C CG2 . VAL A 22 ? 0.2158 0.2013 0.2516 -0.0165 -0.0419 0.0006 65 VAL A CG2 171 N N . HIS A 23 ? 0.2361 0.2168 0.2488 -0.0147 -0.0285 -0.0163 66 HIS A N 172 C CA . HIS A 23 ? 0.2816 0.2666 0.3005 -0.0121 -0.0191 -0.0212 66 HIS A CA 173 C C . HIS A 23 ? 0.2382 0.2119 0.2404 -0.0101 -0.0218 -0.0289 66 HIS A C 174 O O . HIS A 23 ? 0.2488 0.2205 0.2594 -0.0095 -0.0218 -0.0322 66 HIS A O 175 C CB . HIS A 23 ? 0.2566 0.2499 0.2739 -0.0100 -0.0066 -0.0203 66 HIS A CB 176 C CG . HIS A 23 ? 0.2450 0.2452 0.2778 -0.0118 -0.0043 -0.0144 66 HIS A CG 177 N ND1 . HIS A 23 ? 0.2166 0.2137 0.2449 -0.0139 -0.0079 -0.0083 66 HIS A ND1 178 C CD2 . HIS A 23 ? 0.3126 0.3201 0.3627 -0.0113 0.0006 -0.0140 66 HIS A CD2 179 C CE1 . HIS A 23 ? 0.3253 0.3262 0.3687 -0.0141 -0.0054 -0.0051 66 HIS A CE1 180 N NE2 . HIS A 23 ? 0.2238 0.2313 0.2797 -0.0124 0.0000 -0.0091 66 HIS A NE2 181 N N . ASN A 24 ? 0.2572 0.2217 0.2337 -0.0088 -0.0243 -0.0317 67 ASN A N 182 C CA . ASN A 24 ? 0.2822 0.2316 0.2378 -0.0056 -0.0282 -0.0407 67 ASN A CA 183 C C . ASN A 24 ? 0.3342 0.2722 0.2964 -0.0106 -0.0433 -0.0423 67 ASN A C 184 O O . ASN A 24 ? 0.3406 0.2679 0.3013 -0.0093 -0.0455 -0.0485 67 ASN A O 185 C CB . ASN A 24 ? 0.3317 0.2730 0.2549 -0.0032 -0.0282 -0.0432 67 ASN A CB 186 C CG . ASN A 24 ? 0.3768 0.3282 0.2903 0.0028 -0.0115 -0.0443 67 ASN A CG 187 O OD1 . ASN A 24 ? 0.4213 0.3681 0.3208 0.0102 -0.0055 -0.0529 67 ASN A OD1 188 N ND2 . ASN A 24 ? 0.3450 0.3103 0.2669 -0.0002 -0.0043 -0.0356 67 ASN A ND2 189 N N . VAL A 25 ? 0.2817 0.2218 0.2526 -0.0165 -0.0543 -0.0361 68 VAL A N 190 C CA . VAL A 25 ? 0.2937 0.2275 0.2761 -0.0232 -0.0697 -0.0358 68 VAL A CA 191 C C . VAL A 25 ? 0.2693 0.2112 0.2800 -0.0256 -0.0659 -0.0335 68 VAL A C 192 O O . VAL A 25 ? 0.3288 0.2597 0.3415 -0.0295 -0.0735 -0.0367 68 VAL A O 193 C CB . VAL A 25 ? 0.3855 0.3258 0.3780 -0.0281 -0.0817 -0.0279 68 VAL A CB 194 C CG1 . VAL A 25 ? 0.3683 0.3086 0.3815 -0.0360 -0.0968 -0.0258 68 VAL A CG1 195 C CG2 . VAL A 25 ? 0.4413 0.3696 0.4010 -0.0267 -0.0884 -0.0295 68 VAL A CG2 196 N N . TRP A 26 ? 0.2851 0.2446 0.3157 -0.0238 -0.0544 -0.0279 69 TRP A N 197 C CA . TRP A 26 ? 0.2764 0.2447 0.3306 -0.0256 -0.0491 -0.0250 69 TRP A CA 198 C C . TRP A 26 ? 0.2473 0.2047 0.2911 -0.0224 -0.0439 -0.0309 69 TRP A C 199 O O . TRP A 26 ? 0.2900 0.2413 0.3424 -0.0266 -0.0483 -0.0304 69 TRP A O 200 C CB . TRP A 26 ? 0.2584 0.2446 0.3294 -0.0227 -0.0376 -0.0196 69 TRP A CB 201 C CG . TRP A 26 ? 0.2439 0.2390 0.3346 -0.0240 -0.0311 -0.0167 69 TRP A CG 202 C CD1 . TRP A 26 ? 0.2954 0.3014 0.4098 -0.0287 -0.0335 -0.0107 69 TRP A CD1 203 C CD2 . TRP A 26 ? 0.2133 0.2082 0.3007 -0.0204 -0.0209 -0.0188 69 TRP A CD2 204 N NE1 . TRP A 26 ? 0.2769 0.2883 0.4001 -0.0286 -0.0245 -0.0087 69 TRP A NE1 205 C CE2 . TRP A 26 ? 0.2657 0.2693 0.3719 -0.0235 -0.0178 -0.0137 69 TRP A CE2 206 C CE3 . TRP A 26 ? 0.2345 0.2246 0.3060 -0.0147 -0.0143 -0.0240 69 TRP A CE3 207 C CZ2 . TRP A 26 ? 0.2629 0.2675 0.3688 -0.0213 -0.0095 -0.0135 69 TRP A CZ2 208 C CZ3 . TRP A 26 ? 0.2899 0.2825 0.3647 -0.0121 -0.0071 -0.0239 69 TRP A CZ3 209 C CH2 . TRP A 26 ? 0.2328 0.2312 0.3230 -0.0155 -0.0053 -0.0187 69 TRP A CH2 210 N N . ALA A 27 ? 0.2705 0.2261 0.2973 -0.0150 -0.0348 -0.0358 70 ALA A N 211 C CA . ALA A 27 ? 0.2866 0.2342 0.3055 -0.0094 -0.0293 -0.0414 70 ALA A CA 212 C C . ALA A 27 ? 0.3305 0.2545 0.3319 -0.0091 -0.0395 -0.0489 70 ALA A C 213 O O . ALA A 27 ? 0.3248 0.2378 0.3259 -0.0067 -0.0396 -0.0517 70 ALA A O 214 C CB . ALA A 27 ? 0.2792 0.2347 0.2877 -0.0014 -0.0173 -0.0442 70 ALA A CB 215 N N . THR A 28 ? 0.3139 0.2277 0.2989 -0.0112 -0.0491 -0.0522 71 THR A N 216 C CA . THR A 28 ? 0.2979 0.1856 0.2624 -0.0115 -0.0610 -0.0607 71 THR A CA 217 C C . THR A 28 ? 0.3784 0.2570 0.3605 -0.0209 -0.0722 -0.0573 71 THR A C 218 O O . THR A 28 ? 0.4025 0.2582 0.3739 -0.0202 -0.0788 -0.0636 71 THR A O 219 C CB . THR A 28 ? 0.3939 0.2727 0.3364 -0.0136 -0.0714 -0.0640 71 THR A CB 220 O OG1 . THR A 28 ? 0.3752 0.2613 0.2987 -0.0054 -0.0599 -0.0662 71 THR A OG1 221 C CG2 . THR A 28 ? 0.4913 0.3398 0.4100 -0.0142 -0.0856 -0.0743 71 THR A CG2 222 N N . HIS A 29 ? 0.3298 0.2267 0.3397 -0.0295 -0.0738 -0.0469 72 HIS A N 223 C CA . HIS A 29 ? 0.3482 0.2417 0.3783 -0.0405 -0.0835 -0.0413 72 HIS A CA 224 C C . HIS A 29 ? 0.3447 0.2512 0.3967 -0.0412 -0.0724 -0.0336 72 HIS A C 225 O O . HIS A 29 ? 0.3885 0.2913 0.4557 -0.0502 -0.0778 -0.0279 72 HIS A O 226 C CB . HIS A 29 ? 0.4491 0.3550 0.4965 -0.0501 -0.0947 -0.0346 72 HIS A CB 227 C CG . HIS A 29 ? 0.7224 0.6149 0.7463 -0.0502 -0.1077 -0.0410 72 HIS A CG 228 N ND1 . HIS A 29 ? 0.6469 0.5466 0.6560 -0.0432 -0.1027 -0.0423 72 HIS A ND1 229 C CD2 . HIS A 29 ? 0.8047 0.6755 0.8150 -0.0569 -0.1264 -0.0462 72 HIS A CD2 230 C CE1 . HIS A 29 ? 0.7207 0.6045 0.7068 -0.0451 -0.1170 -0.0475 72 HIS A CE1 231 N NE2 . HIS A 29 ? 0.8114 0.6771 0.7971 -0.0531 -0.1321 -0.0508 72 HIS A NE2 232 N N . ALA A 30 ? 0.2816 0.2028 0.3344 -0.0327 -0.0573 -0.0329 73 ALA A N 233 C CA . ALA A 30 ? 0.2876 0.2214 0.3573 -0.0327 -0.0469 -0.0260 73 ALA A CA 234 C C . ALA A 30 ? 0.3360 0.2616 0.3927 -0.0233 -0.0390 -0.0306 73 ALA A C 235 O O . ALA A 30 ? 0.2937 0.2244 0.3597 -0.0233 -0.0329 -0.0252 73 ALA A O 236 C CB . ALA A 30 ? 0.2561 0.2157 0.3421 -0.0321 -0.0377 -0.0200 73 ALA A CB 237 N N . CYS A 31 ? 0.2546 0.1685 0.2897 -0.0146 -0.0390 -0.0401 74 CYS A N 238 C CA . CYS A 31 ? 0.3301 0.2399 0.3559 -0.0038 -0.0314 -0.0446 74 CYS A CA 239 C C . CYS A 31 ? 0.3475 0.2304 0.3519 0.0028 -0.0381 -0.0548 74 CYS A C 240 O O . CYS A 31 ? 0.3524 0.2199 0.3438 -0.0003 -0.0480 -0.0601 74 CYS A O 241 C CB . CYS A 31 ? 0.3215 0.2508 0.3453 0.0034 -0.0198 -0.0461 74 CYS A CB 242 S SG . CYS A 31 ? 0.2984 0.2541 0.3430 -0.0024 -0.0125 -0.0367 74 CYS A SG 243 N N . VAL A 32 ? 0.3598 0.2363 0.3600 0.0126 -0.0336 -0.0577 75 VAL A N 244 C CA . VAL A 32 ? 0.3516 0.2031 0.3311 0.0230 -0.0377 -0.0688 75 VAL A CA 245 C C . VAL A 32 ? 0.3982 0.2632 0.3672 0.0366 -0.0260 -0.0760 75 VAL A C 246 O O . VAL A 32 ? 0.3363 0.2283 0.3170 0.0367 -0.0159 -0.0709 75 VAL A O 247 C CB . VAL A 32 ? 0.4003 0.2340 0.3827 0.0269 -0.0412 -0.0671 75 VAL A CB 248 C CG1 . VAL A 32 ? 0.4811 0.2991 0.4722 0.0120 -0.0530 -0.0592 75 VAL A CG1 249 C CG2 . VAL A 32 ? 0.3213 0.1772 0.3182 0.0325 -0.0306 -0.0605 75 VAL A CG2 250 N N . PRO A 33 ? 0.4368 0.2832 0.3836 0.0478 -0.0272 -0.0880 76 PRO A N 251 C CA . PRO A 33 ? 0.4425 0.3051 0.3817 0.0616 -0.0139 -0.0940 76 PRO A CA 252 C C . PRO A 33 ? 0.4873 0.3675 0.4445 0.0702 -0.0052 -0.0900 76 PRO A C 253 O O . PRO A 33 ? 0.4090 0.2778 0.3753 0.0702 -0.0109 -0.0864 76 PRO A O 254 C CB . PRO A 33 ? 0.4863 0.3203 0.3976 0.0734 -0.0179 -0.1084 76 PRO A CB 255 C CG . PRO A 33 ? 0.5321 0.3391 0.4323 0.0612 -0.0342 -0.1098 76 PRO A CG 256 C CD . PRO A 33 ? 0.4631 0.2743 0.3891 0.0472 -0.0406 -0.0969 76 PRO A CD 257 N N . THR A 34 ? 0.4365 0.3444 0.3990 0.0766 0.0078 -0.0897 77 THR A N 258 C CA . THR A 34 ? 0.3920 0.3199 0.3732 0.0844 0.0149 -0.0858 77 THR A CA 259 C C . THR A 34 ? 0.4585 0.3728 0.4336 0.1021 0.0151 -0.0943 77 THR A C 260 O O . THR A 34 ? 0.5023 0.3992 0.4582 0.1065 0.0143 -0.1017 77 THR A O 261 C CB . THR A 34 ? 0.4693 0.4319 0.4602 0.0848 0.0279 -0.0826 77 THR A CB 262 O OG1 . THR A 34 ? 0.4873 0.4516 0.4606 0.0937 0.0358 -0.0911 77 THR A OG1 263 C CG2 . THR A 34 ? 0.4046 0.3789 0.4029 0.0685 0.0272 -0.0738 77 THR A CG2 264 N N . ASP A 35 ? 0.4837 0.4087 0.4766 0.1074 0.0160 -0.0889 78 ASP A N 265 C CA . ASP A 35 ? 0.5163 0.4353 0.5094 0.1200 0.0170 -0.0912 78 ASP A CA 266 C C . ASP A 35 ? 0.5116 0.4585 0.5092 0.1280 0.0310 -0.0936 78 ASP A C 267 O O . ASP A 35 ? 0.4682 0.4466 0.4835 0.1256 0.0384 -0.0876 78 ASP A O 268 C CB . ASP A 35 ? 0.5539 0.4752 0.5645 0.1225 0.0116 -0.0835 78 ASP A CB 269 C CG . ASP A 35 ? 0.6169 0.5213 0.6253 0.1346 0.0079 -0.0857 78 ASP A CG 270 O OD1 . ASP A 35 ? 0.5901 0.4977 0.5932 0.1446 0.0148 -0.0926 78 ASP A OD1 271 O OD2 . ASP A 35 ? 0.6540 0.5412 0.6656 0.1343 -0.0019 -0.0802 78 ASP A OD2 272 N N . PRO A 36 ? 0.5530 0.4882 0.5349 0.1366 0.0344 -0.1022 79 PRO A N 273 C CA . PRO A 36 ? 0.6468 0.6070 0.6321 0.1444 0.0487 -0.1049 79 PRO A CA 274 C C . PRO A 36 ? 0.6771 0.6606 0.6880 0.1533 0.0533 -0.1000 79 PRO A C 275 O O . PRO A 36 ? 0.6421 0.6570 0.6668 0.1544 0.0648 -0.0972 79 PRO A O 276 C CB . PRO A 36 ? 0.6422 0.5770 0.6029 0.1528 0.0482 -0.1163 79 PRO A CB 277 C CG . PRO A 36 ? 0.6193 0.5179 0.5720 0.1524 0.0330 -0.1181 79 PRO A CG 278 C CD . PRO A 36 ? 0.6107 0.5077 0.5706 0.1384 0.0247 -0.1100 79 PRO A CD 279 N N . ASN A 37 ? 0.5241 0.4921 0.5416 0.1588 0.0437 -0.0982 80 ASN A N 280 C CA . ASN A 37 ? 0.5680 0.5560 0.6095 0.1678 0.0455 -0.0932 80 ASN A CA 281 C C . ASN A 37 ? 0.5991 0.5846 0.6532 0.1630 0.0343 -0.0840 80 ASN A C 282 O O . ASN A 37 ? 0.5870 0.5512 0.6400 0.1696 0.0250 -0.0833 80 ASN A O 283 C CB . ASN A 37 ? 0.7179 0.6908 0.7550 0.1840 0.0457 -0.1006 80 ASN A CB 284 C CG . ASN A 37 ? 0.9039 0.9080 0.9663 0.1951 0.0540 -0.0981 80 ASN A CG 285 O OD1 . ASN A 37 ? 0.9468 0.9735 1.0134 0.1985 0.0671 -0.1013 80 ASN A OD1 286 N ND2 . ASN A 37 ? 0.9645 0.9703 1.0441 0.2005 0.0460 -0.0917 80 ASN A ND2 287 N N . PRO A 38 ? 0.4984 0.5048 0.5633 0.1514 0.0351 -0.0769 81 PRO A N 288 C CA . PRO A 38 ? 0.5227 0.5280 0.5972 0.1462 0.0250 -0.0687 81 PRO A CA 289 C C . PRO A 38 ? 0.5829 0.6043 0.6778 0.1552 0.0222 -0.0631 81 PRO A C 290 O O . PRO A 38 ? 0.5738 0.6217 0.6842 0.1608 0.0302 -0.0630 81 PRO A O 291 C CB . PRO A 38 ? 0.4911 0.5190 0.5721 0.1327 0.0292 -0.0646 81 PRO A CB 292 C CG . PRO A 38 ? 0.5257 0.5775 0.6109 0.1330 0.0421 -0.0668 81 PRO A CG 293 C CD . PRO A 38 ? 0.4670 0.4990 0.5349 0.1427 0.0456 -0.0760 81 PRO A CD 294 N N . GLN A 39 ? 0.5245 0.5298 0.6196 0.1563 0.0102 -0.0577 82 GLN A N 295 C CA . GLN A 39 ? 0.6733 0.6907 0.7857 0.1650 0.0046 -0.0515 82 GLN A CA 296 C C . GLN A 39 ? 0.5732 0.6097 0.6976 0.1565 -0.0015 -0.0428 82 GLN A C 297 O O . GLN A 39 ? 0.4225 0.4476 0.5374 0.1466 -0.0062 -0.0406 82 GLN A O 298 C CB . GLN A 39 ? 0.8592 0.8423 0.9613 0.1742 -0.0058 -0.0509 82 GLN A CB 299 C CG . GLN A 39 ? 1.0331 0.9770 1.1108 0.1684 -0.0102 -0.0548 82 GLN A CG 300 C CD . GLN A 39 ? 1.1465 1.0829 1.2183 0.1540 -0.0158 -0.0492 82 GLN A CD 301 O OE1 . GLN A 39 ? 1.0834 1.0052 1.1421 0.1449 -0.0145 -0.0532 82 GLN A OE1 302 N NE2 . GLN A 39 ? 1.2487 1.1952 1.3301 0.1521 -0.0227 -0.0399 82 GLN A NE2 303 N N . GLU A 40 ? 0.5164 0.5821 0.6623 0.1605 -0.0019 -0.0381 83 GLU A N 304 C CA . GLU A 40 ? 0.3322 0.4170 0.4893 0.1529 -0.0095 -0.0304 83 GLU A CA 305 C C . GLU A 40 ? 0.3381 0.4300 0.5089 0.1629 -0.0196 -0.0238 83 GLU A C 306 O O . GLU A 40 ? 0.3805 0.4895 0.5683 0.1720 -0.0155 -0.0243 83 GLU A O 307 C CB . GLU A 40 ? 0.3263 0.4453 0.4978 0.1424 -0.0007 -0.0305 83 GLU A CB 308 C CG . GLU A 40 ? 0.3277 0.4662 0.5099 0.1331 -0.0094 -0.0241 83 GLU A CG 309 C CD . GLU A 40 ? 0.5073 0.6744 0.7018 0.1204 -0.0015 -0.0239 83 GLU A CD 310 O OE1 . GLU A 40 ? 0.5393 0.7147 0.7373 0.1204 0.0110 -0.0270 83 GLU A OE1 311 O OE2 . GLU A 40 ? 0.4163 0.5956 0.6156 0.1100 -0.0082 -0.0206 83 GLU A OE2 312 N N . ILE A 41 ? 0.3333 0.4118 0.4968 0.1612 -0.0332 -0.0170 84 ILE A N 313 C CA . ILE A 41 ? 0.3750 0.4568 0.5478 0.1698 -0.0452 -0.0092 84 ILE A CA 314 C C . ILE A 41 ? 0.3364 0.4452 0.5208 0.1617 -0.0537 -0.0029 84 ILE A C 315 O O . ILE A 41 ? 0.3303 0.4301 0.5010 0.1526 -0.0610 0.0000 84 ILE A O 316 C CB . ILE A 41 ? 0.4120 0.4538 0.5639 0.1743 -0.0565 -0.0040 84 ILE A CB 317 C CG1 . ILE A 41 ? 0.5469 0.5591 0.6863 0.1806 -0.0500 -0.0109 84 ILE A CG1 318 C CG2 . ILE A 41 ? 0.4794 0.5243 0.6395 0.1831 -0.0694 0.0052 84 ILE A CG2 319 C CD1 . ILE A 41 ? 0.6541 0.6241 0.7730 0.1820 -0.0608 -0.0050 84 ILE A CD1 320 N N . HIS A 42 ? 0.3247 0.4660 0.5343 0.1645 -0.0534 -0.0007 85 HIS A N 321 C CA . HIS A 42 ? 0.2869 0.4539 0.5085 0.1559 -0.0635 0.0051 85 HIS A CA 322 C C . HIS A 42 ? 0.3203 0.4754 0.5349 0.1614 -0.0817 0.0141 85 HIS A C 323 O O . HIS A 42 ? 0.3816 0.5364 0.6062 0.1740 -0.0857 0.0182 85 HIS A O 324 C CB . HIS A 42 ? 0.3307 0.5364 0.5837 0.1549 -0.0572 0.0055 85 HIS A CB 325 C CG . HIS A 42 ? 0.3647 0.5829 0.6222 0.1459 -0.0406 -0.0011 85 HIS A CG 326 N ND1 . HIS A 42 ? 0.4067 0.6395 0.6655 0.1293 -0.0399 -0.0015 85 HIS A ND1 327 C CD2 . HIS A 42 ? 0.4106 0.6265 0.6689 0.1508 -0.0249 -0.0073 85 HIS A CD2 328 C CE1 . HIS A 42 ? 0.4096 0.6484 0.6705 0.1243 -0.0243 -0.0063 85 HIS A CE1 329 N NE2 . HIS A 42 ? 0.3474 0.5766 0.6071 0.1371 -0.0150 -0.0100 85 HIS A NE2 330 N N . LEU A 43 ? 0.3617 0.5059 0.5578 0.1520 -0.0926 0.0176 86 LEU A N 331 C CA . LEU A 43 ? 0.3578 0.4855 0.5393 0.1550 -0.1100 0.0274 86 LEU A CA 332 C C . LEU A 43 ? 0.4706 0.6285 0.6706 0.1536 -0.1218 0.0331 86 LEU A C 333 O O . LEU A 43 ? 0.4602 0.6473 0.6763 0.1437 -0.1201 0.0300 86 LEU A O 334 C CB . LEU A 43 ? 0.4149 0.5162 0.5630 0.1417 -0.1134 0.0306 86 LEU A CB 335 C CG . LEU A 43 ? 0.5202 0.5918 0.6487 0.1369 -0.0996 0.0271 86 LEU A CG 336 C CD1 . LEU A 43 ? 0.5726 0.6244 0.6701 0.1195 -0.0980 0.0316 86 LEU A CD1 337 C CD2 . LEU A 43 ? 0.5318 0.5759 0.6565 0.1524 -0.1029 0.0298 86 LEU A CD2 338 N N . GLU A 44 ? 0.5186 0.6682 0.7159 0.1628 -0.1343 0.0420 87 GLU A N 339 C CA . GLU A 44 ? 0.4035 0.5817 0.6193 0.1632 -0.1465 0.0483 87 GLU A CA 340 C C . GLU A 44 ? 0.4310 0.5967 0.6205 0.1550 -0.1649 0.0558 87 GLU A C 341 O O . GLU A 44 ? 0.5104 0.6426 0.6715 0.1579 -0.1714 0.0621 87 GLU A O 342 C CB . GLU A 44 ? 0.6251 0.8078 0.8598 0.1808 -0.1475 0.0533 87 GLU A CB 343 C CG . GLU A 44 ? 0.8098 1.0315 1.0742 0.1832 -0.1562 0.0590 87 GLU A CG 344 C CD . GLU A 44 ? 1.0072 1.2361 1.2950 0.2023 -0.1542 0.0629 87 GLU A CD 345 O OE1 . GLU A 44 ? 1.0388 1.2371 1.3149 0.2134 -0.1485 0.0611 87 GLU A OE1 346 O OE2 . GLU A 44 ? 1.0750 1.3399 1.3932 0.2061 -0.1585 0.0677 87 GLU A OE2 347 N N . ASN A 45 ? 0.4295 0.6208 0.6265 0.1435 -0.1730 0.0552 88 ASN A N 348 C CA . ASN A 45 ? 0.5501 0.7318 0.7205 0.1345 -0.1907 0.0609 88 ASN A CA 349 C C . ASN A 45 ? 0.6245 0.7683 0.7526 0.1273 -0.1912 0.0616 88 ASN A C 350 O O . ASN A 45 ? 0.7107 0.8301 0.8090 0.1283 -0.2016 0.0707 88 ASN A O 351 C CB . ASN A 45 ? 0.6016 0.7845 0.7733 0.1451 -0.2052 0.0714 88 ASN A CB 352 C CG . ASN A 45 ? 0.7887 0.9724 0.9392 0.1350 -0.2237 0.0759 88 ASN A CG 353 O OD1 . ASN A 45 ? 0.7915 0.9454 0.9054 0.1335 -0.2322 0.0827 88 ASN A OD1 354 N ND2 . ASN A 45 ? 0.8443 1.0616 1.0160 0.1271 -0.2295 0.0723 88 ASN A ND2 355 N N . VAL A 46 ? 0.6234 0.7629 0.7482 0.1202 -0.1790 0.0530 89 VAL A N 356 C CA . VAL A 46 ? 0.6464 0.7535 0.7299 0.1088 -0.1711 0.0538 89 VAL A CA 357 C C . VAL A 46 ? 0.6412 0.7563 0.7139 0.0910 -0.1670 0.0463 89 VAL A C 358 O O . VAL A 46 ? 0.6352 0.7765 0.7346 0.0862 -0.1632 0.0386 89 VAL A O 359 C CB . VAL A 46 ? 0.6114 0.6980 0.6909 0.1114 -0.1518 0.0512 89 VAL A CB 360 C CG1 . VAL A 46 ? 0.5947 0.6677 0.6822 0.1292 -0.1569 0.0577 89 VAL A CG1 361 C CG2 . VAL A 46 ? 0.6323 0.7392 0.7368 0.1077 -0.1356 0.0398 89 VAL A CG2 362 N N . THR A 47 ? 0.5823 0.6737 0.6148 0.0817 -0.1677 0.0489 90 THR A N 363 C CA . THR A 47 ? 0.5218 0.6140 0.5382 0.0665 -0.1629 0.0407 90 THR A CA 364 C C . THR A 47 ? 0.5159 0.5829 0.5039 0.0603 -0.1445 0.0395 90 THR A C 365 O O . THR A 47 ? 0.5853 0.6292 0.5421 0.0609 -0.1449 0.0477 90 THR A O 366 C CB . THR A 47 ? 0.5927 0.6833 0.5853 0.0609 -0.1825 0.0429 90 THR A CB 367 O OG1 . THR A 47 ? 0.5823 0.7005 0.6063 0.0654 -0.2010 0.0442 90 THR A OG1 368 C CG2 . THR A 47 ? 0.6023 0.6885 0.5747 0.0464 -0.1771 0.0328 90 THR A CG2 369 N N . GLU A 48 ? 0.3881 0.4608 0.3880 0.0541 -0.1286 0.0304 91 GLU A N 370 C CA . GLU A 48 ? 0.3558 0.4094 0.3356 0.0486 -0.1109 0.0289 91 GLU A CA 371 C C . GLU A 48 ? 0.3577 0.4124 0.3261 0.0372 -0.1046 0.0192 91 GLU A C 372 O O . GLU A 48 ? 0.3676 0.4394 0.3565 0.0330 -0.1065 0.0115 91 GLU A O 373 C CB . GLU A 48 ? 0.3225 0.3771 0.3251 0.0532 -0.0971 0.0273 91 GLU A CB 374 C CG . GLU A 48 ? 0.4730 0.5168 0.4800 0.0646 -0.1011 0.0360 91 GLU A CG 375 C CD . GLU A 48 ? 0.5921 0.6084 0.5680 0.0624 -0.0981 0.0456 91 GLU A CD 376 O OE1 . GLU A 48 ? 0.5875 0.5956 0.5456 0.0530 -0.0863 0.0438 91 GLU A OE1 377 O OE2 . GLU A 48 ? 0.6435 0.6468 0.6137 0.0703 -0.1074 0.0555 91 GLU A OE2 378 N N . ASN A 49 ? 0.4263 0.4624 0.3619 0.0326 -0.0968 0.0200 92 ASN A N 379 C CA . ASN A 49 ? 0.4777 0.5110 0.4000 0.0242 -0.0892 0.0101 92 ASN A CA 380 C C . ASN A 49 ? 0.4204 0.4534 0.3562 0.0221 -0.0704 0.0057 92 ASN A C 381 O O . ASN A 49 ? 0.3715 0.3968 0.3076 0.0248 -0.0603 0.0117 92 ASN A O 382 C CB . ASN A 49 ? 0.5496 0.5651 0.4289 0.0218 -0.0892 0.0121 92 ASN A CB 383 C CG . ASN A 49 ? 0.6986 0.7135 0.5598 0.0219 -0.1099 0.0136 92 ASN A CG 384 O OD1 . ASN A 49 ? 0.5907 0.6192 0.4692 0.0195 -0.1233 0.0080 92 ASN A OD1 385 N ND2 . ASN A 49 ? 0.8448 0.8445 0.6712 0.0239 -0.1131 0.0222 92 ASN A ND2 386 N N . PHE A 50 ? 0.3540 0.3944 0.3011 0.0166 -0.0672 -0.0042 93 PHE A N 387 C CA . PHE A 50 ? 0.3607 0.4008 0.3196 0.0145 -0.0513 -0.0086 93 PHE A CA 388 C C . PHE A 50 ? 0.4034 0.4341 0.3430 0.0093 -0.0452 -0.0169 93 PHE A C 389 O O . PHE A 50 ? 0.4070 0.4337 0.3300 0.0062 -0.0547 -0.0220 93 PHE A O 390 C CB . PHE A 50 ? 0.3098 0.3667 0.3025 0.0138 -0.0517 -0.0120 93 PHE A CB 391 C CG . PHE A 50 ? 0.3016 0.3670 0.3147 0.0213 -0.0530 -0.0059 93 PHE A CG 392 C CD1 . PHE A 50 ? 0.3875 0.4616 0.4073 0.0265 -0.0667 -0.0012 93 PHE A CD1 393 C CD2 . PHE A 50 ? 0.2576 0.3214 0.2828 0.0239 -0.0415 -0.0054 93 PHE A CD2 394 C CE1 . PHE A 50 ? 0.2910 0.3714 0.3295 0.0358 -0.0677 0.0034 93 PHE A CE1 395 C CE2 . PHE A 50 ? 0.2943 0.3625 0.3354 0.0321 -0.0429 -0.0015 93 PHE A CE2 396 C CZ . PHE A 50 ? 0.3389 0.4151 0.3868 0.0388 -0.0553 0.0026 93 PHE A CZ 397 N N . ASN A 51 ? 0.3513 0.3777 0.2931 0.0089 -0.0301 -0.0185 94 ASN A N 398 C CA . ASN A 51 ? 0.3675 0.3859 0.2960 0.0062 -0.0228 -0.0271 94 ASN A CA 399 C C . ASN A 51 ? 0.3386 0.3602 0.2874 0.0056 -0.0108 -0.0292 94 ASN A C 400 O O . ASN A 51 ? 0.3331 0.3530 0.2823 0.0077 0.0007 -0.0249 94 ASN A O 401 C CB . ASN A 51 ? 0.3592 0.3657 0.2554 0.0087 -0.0158 -0.0253 94 ASN A CB 402 C CG . ASN A 51 ? 0.4319 0.4288 0.3101 0.0083 -0.0101 -0.0361 94 ASN A CG 403 O OD1 . ASN A 51 ? 0.3553 0.3523 0.2472 0.0060 -0.0103 -0.0441 94 ASN A OD1 404 N ND2 . ASN A 51 ? 0.5022 0.4896 0.3484 0.0112 -0.0046 -0.0363 94 ASN A ND2 405 N N . MET A 52 ? 0.3089 0.3357 0.2750 0.0018 -0.0142 -0.0350 95 MET A N 406 C CA . MET A 52 ? 0.2394 0.2690 0.2242 0.0009 -0.0051 -0.0364 95 MET A CA 407 C C . MET A 52 ? 0.2895 0.3092 0.2630 0.0026 0.0058 -0.0405 95 MET A C 408 O O . MET A 52 ? 0.2740 0.2958 0.2609 0.0034 0.0143 -0.0395 95 MET A O 409 C CB . MET A 52 ? 0.2119 0.2478 0.2139 -0.0046 -0.0116 -0.0405 95 MET A CB 410 C CG . MET A 52 ? 0.2329 0.2589 0.2217 -0.0093 -0.0190 -0.0486 95 MET A CG 411 S SD . MET A 52 ? 0.2746 0.3066 0.2853 -0.0186 -0.0260 -0.0513 95 MET A SD 412 C CE . MET A 52 ? 0.2790 0.3074 0.3007 -0.0170 -0.0124 -0.0508 95 MET A CE 413 N N . TRP A 53 ? 0.2986 0.3080 0.2472 0.0039 0.0053 -0.0455 96 TRP A N 414 C CA . TRP A 53 ? 0.3398 0.3406 0.2769 0.0076 0.0162 -0.0510 96 TRP A CA 415 C C . TRP A 53 ? 0.3391 0.3427 0.2672 0.0121 0.0285 -0.0443 96 TRP A C 416 O O . TRP A 53 ? 0.3540 0.3559 0.2778 0.0163 0.0402 -0.0470 96 TRP A O 417 C CB . TRP A 53 ? 0.3486 0.3349 0.2613 0.0077 0.0101 -0.0617 96 TRP A CB 418 C CG . TRP A 53 ? 0.3589 0.3426 0.2822 0.0009 -0.0033 -0.0667 96 TRP A CG 419 C CD1 . TRP A 53 ? 0.3226 0.3080 0.2431 -0.0046 -0.0184 -0.0669 96 TRP A CD1 420 C CD2 . TRP A 53 ? 0.3549 0.3353 0.2956 -0.0023 -0.0032 -0.0705 96 TRP A CD2 421 N NE1 . TRP A 53 ? 0.3451 0.3301 0.2816 -0.0120 -0.0269 -0.0705 96 TRP A NE1 422 C CE2 . TRP A 53 ? 0.3402 0.3208 0.2878 -0.0108 -0.0176 -0.0725 96 TRP A CE2 423 C CE3 . TRP A 53 ? 0.3520 0.3299 0.3036 0.0010 0.0069 -0.0716 96 TRP A CE3 424 C CZ2 . TRP A 53 ? 0.3075 0.2844 0.2710 -0.0171 -0.0212 -0.0747 96 TRP A CZ2 425 C CZ3 . TRP A 53 ? 0.3683 0.3408 0.3339 -0.0039 0.0024 -0.0741 96 TRP A CZ3 426 C CH2 . TRP A 53 ? 0.3478 0.3193 0.3184 -0.0134 -0.0110 -0.0753 96 TRP A CH2 427 N N . LYS A 54 ? 0.2839 0.2922 0.2107 0.0112 0.0257 -0.0349 97 LYS A N 428 C CA . LYS A 54 ? 0.3166 0.3277 0.2378 0.0129 0.0362 -0.0257 97 LYS A CA 429 C C . LYS A 54 ? 0.3576 0.3743 0.2984 0.0106 0.0330 -0.0160 97 LYS A C 430 O O . LYS A 54 ? 0.3330 0.3474 0.2651 0.0104 0.0277 -0.0083 97 LYS A O 431 C CB . LYS A 54 ? 0.3634 0.3677 0.2520 0.0145 0.0355 -0.0233 97 LYS A CB 432 C CG . LYS A 54 ? 0.5838 0.5797 0.4470 0.0182 0.0399 -0.0340 97 LYS A CG 433 C CD . LYS A 54 ? 0.7593 0.7600 0.6266 0.0225 0.0581 -0.0352 97 LYS A CD 434 C CE . LYS A 54 ? 0.9042 0.8948 0.7429 0.0288 0.0637 -0.0469 97 LYS A CE 435 N NZ . LYS A 54 ? 0.8455 0.8440 0.6904 0.0352 0.0826 -0.0479 97 LYS A NZ 436 N N . ASN A 55 ? 0.3036 0.3257 0.2691 0.0094 0.0353 -0.0167 98 ASN A N 437 C CA . ASN A 55 ? 0.2470 0.2719 0.2299 0.0081 0.0312 -0.0105 98 ASN A CA 438 C C . ASN A 55 ? 0.2556 0.2838 0.2548 0.0065 0.0397 -0.0071 98 ASN A C 439 O O . ASN A 55 ? 0.2680 0.2997 0.2797 0.0063 0.0425 -0.0123 98 ASN A O 440 C CB . ASN A 55 ? 0.2669 0.2954 0.2630 0.0079 0.0219 -0.0157 98 ASN A CB 441 C CG . ASN A 55 ? 0.3153 0.3459 0.3260 0.0090 0.0178 -0.0110 98 ASN A CG 442 O OD1 . ASN A 55 ? 0.3179 0.3438 0.3281 0.0094 0.0199 -0.0040 98 ASN A OD1 443 N ND2 . ASN A 55 ? 0.2891 0.3262 0.3125 0.0096 0.0121 -0.0149 98 ASN A ND2 444 N N . ASN A 56 ? 0.2784 0.3046 0.2774 0.0046 0.0424 0.0024 99 ASN A N 445 C CA . ASN A 56 ? 0.2648 0.2946 0.2796 0.0014 0.0489 0.0069 99 ASN A CA 446 C C . ASN A 56 ? 0.2340 0.2638 0.2678 0.0007 0.0437 0.0036 99 ASN A C 447 O O . ASN A 56 ? 0.2320 0.2657 0.2798 -0.0019 0.0473 0.0046 99 ASN A O 448 C CB . ASN A 56 ? 0.2734 0.2990 0.2835 -0.0025 0.0511 0.0190 99 ASN A CB 449 C CG . ASN A 56 ? 0.3463 0.3779 0.3738 -0.0078 0.0578 0.0247 99 ASN A CG 450 O OD1 . ASN A 56 ? 0.3380 0.3634 0.3762 -0.0119 0.0525 0.0294 99 ASN A OD1 451 N ND2 . ASN A 56 ? 0.3941 0.4376 0.4250 -0.0074 0.0689 0.0239 99 ASN A ND2 452 N N . MET A 57 ? 0.2198 0.2466 0.2539 0.0032 0.0353 -0.0001 100 MET A N 453 C CA . MET A 57 ? 0.1893 0.2166 0.2373 0.0036 0.0316 -0.0040 100 MET A CA 454 C C . MET A 57 ? 0.2138 0.2472 0.2695 0.0027 0.0353 -0.0099 100 MET A C 455 O O . MET A 57 ? 0.2195 0.2533 0.2859 0.0015 0.0349 -0.0109 100 MET A O 456 C CB . MET A 57 ? 0.1691 0.1965 0.2167 0.0076 0.0241 -0.0071 100 MET A CB 457 C CG . MET A 57 ? 0.2184 0.2385 0.2592 0.0106 0.0186 -0.0014 100 MET A CG 458 S SD . MET A 57 ? 0.2561 0.2817 0.3020 0.0174 0.0102 -0.0053 100 MET A SD 459 C CE . MET A 57 ? 0.2307 0.2542 0.2891 0.0199 0.0112 -0.0092 100 MET A CE 460 N N . VAL A 58 ? 0.2309 0.2667 0.2791 0.0037 0.0378 -0.0138 101 VAL A N 461 C CA . VAL A 58 ? 0.2216 0.2596 0.2753 0.0038 0.0404 -0.0193 101 VAL A CA 462 C C . VAL A 58 ? 0.1802 0.2217 0.2428 0.0035 0.0473 -0.0166 101 VAL A C 463 O O . VAL A 58 ? 0.2020 0.2451 0.2762 0.0031 0.0467 -0.0181 101 VAL A O 464 C CB . VAL A 58 ? 0.2209 0.2564 0.2618 0.0053 0.0404 -0.0250 101 VAL A CB 465 C CG1 . VAL A 58 ? 0.2339 0.2675 0.2797 0.0062 0.0427 -0.0305 101 VAL A CG1 466 C CG2 . VAL A 58 ? 0.2167 0.2519 0.2534 0.0043 0.0318 -0.0272 101 VAL A CG2 467 N N . GLU A 59 ? 0.2009 0.2449 0.2588 0.0036 0.0535 -0.0118 102 GLU A N 468 C CA . GLU A 59 ? 0.2172 0.2693 0.2875 0.0029 0.0608 -0.0077 102 GLU A CA 469 C C . GLU A 59 ? 0.2456 0.2986 0.3321 -0.0018 0.0561 -0.0031 102 GLU A C 470 O O . GLU A 59 ? 0.1992 0.2588 0.3011 -0.0024 0.0573 -0.0023 102 GLU A O 471 C CB . GLU A 59 ? 0.3265 0.3832 0.3884 0.0026 0.0695 -0.0015 102 GLU A CB 472 C CG . GLU A 59 ? 0.4082 0.4679 0.4585 0.0087 0.0784 -0.0068 102 GLU A CG 473 C CD . GLU A 59 ? 0.4638 0.5124 0.4937 0.0117 0.0728 -0.0151 102 GLU A CD 474 O OE1 . GLU A 59 ? 0.4786 0.5244 0.5016 0.0170 0.0757 -0.0233 102 GLU A OE1 475 O OE2 . GLU A 59 ? 0.3861 0.4285 0.4078 0.0090 0.0646 -0.0134 102 GLU A OE2 476 N N . GLN A 60 ? 0.1865 0.2316 0.2688 -0.0044 0.0497 -0.0004 103 GLN A N 477 C CA . GLN A 60 ? 0.2230 0.2643 0.3161 -0.0085 0.0438 0.0024 103 GLN A CA 478 C C . GLN A 60 ? 0.2208 0.2608 0.3191 -0.0072 0.0386 -0.0038 103 GLN A C 479 O O . GLN A 60 ? 0.2086 0.2496 0.3177 -0.0101 0.0355 -0.0026 103 GLN A O 480 C CB . GLN A 60 ? 0.1964 0.2262 0.2814 -0.0099 0.0382 0.0059 103 GLN A CB 481 C CG . GLN A 60 ? 0.2014 0.2302 0.2821 -0.0136 0.0421 0.0152 103 GLN A CG 482 C CD . GLN A 60 ? 0.3202 0.3337 0.3952 -0.0154 0.0347 0.0199 103 GLN A CD 483 O OE1 . GLN A 60 ? 0.2401 0.2445 0.3211 -0.0173 0.0277 0.0187 103 GLN A OE1 484 N NE2 . GLN A 60 ? 0.2859 0.2944 0.3474 -0.0142 0.0353 0.0251 103 GLN A NE2 485 N N . MET A 61 ? 0.2017 0.2399 0.2921 -0.0035 0.0372 -0.0097 104 MET A N 486 C CA . MET A 61 ? 0.2281 0.2656 0.3215 -0.0029 0.0336 -0.0141 104 MET A CA 487 C C . MET A 61 ? 0.2125 0.2551 0.3148 -0.0028 0.0360 -0.0144 104 MET A C 488 O O . MET A 61 ? 0.1673 0.2092 0.2757 -0.0040 0.0321 -0.0143 104 MET A O 489 C CB . MET A 61 ? 0.2051 0.2423 0.2910 -0.0006 0.0324 -0.0186 104 MET A CB 490 C CG . MET A 61 ? 0.2445 0.2818 0.3325 -0.0012 0.0302 -0.0213 104 MET A CG 491 S SD . MET A 61 ? 0.2436 0.2844 0.3272 -0.0005 0.0290 -0.0244 104 MET A SD 492 C CE . MET A 61 ? 0.4121 0.4522 0.4969 -0.0027 0.0281 -0.0247 104 MET A CE 493 N N . GLN A 62 ? 0.1735 0.2202 0.2750 -0.0003 0.0420 -0.0150 105 GLN A N 494 C CA . GLN A 62 ? 0.2023 0.2538 0.3132 0.0024 0.0451 -0.0157 105 GLN A CA 495 C C . GLN A 62 ? 0.1910 0.2501 0.3185 0.0000 0.0442 -0.0102 105 GLN A C 496 O O . GLN A 62 ? 0.1741 0.2352 0.3119 0.0010 0.0407 -0.0101 105 GLN A O 497 C CB . GLN A 62 ? 0.1706 0.2247 0.2757 0.0070 0.0532 -0.0180 105 GLN A CB 498 C CG . GLN A 62 ? 0.2477 0.3077 0.3638 0.0125 0.0580 -0.0192 105 GLN A CG 499 C CD . GLN A 62 ? 0.1701 0.2200 0.2823 0.0161 0.0543 -0.0253 105 GLN A CD 500 O OE1 . GLN A 62 ? 0.2775 0.3188 0.3829 0.0124 0.0477 -0.0270 105 GLN A OE1 501 N NE2 . GLN A 62 ? 0.2589 0.3098 0.3761 0.0235 0.0590 -0.0283 105 GLN A NE2 502 N N . GLU A 63 ? 0.1664 0.2292 0.2970 -0.0039 0.0460 -0.0048 106 GLU A N 503 C CA . GLU A 63 ? 0.2226 0.2935 0.3710 -0.0085 0.0439 0.0014 106 GLU A CA 504 C C . GLU A 63 ? 0.1715 0.2347 0.3222 -0.0122 0.0325 0.0006 106 GLU A C 505 O O . GLU A 63 ? 0.1835 0.2531 0.3492 -0.0142 0.0279 0.0032 106 GLU A O 506 C CB . GLU A 63 ? 0.2583 0.3317 0.4076 -0.0139 0.0475 0.0085 106 GLU A CB 507 C CG . GLU A 63 ? 0.3248 0.4090 0.4726 -0.0107 0.0601 0.0110 106 GLU A CG 508 C CD . GLU A 63 ? 0.5965 0.6788 0.7372 -0.0161 0.0634 0.0187 106 GLU A CD 509 O OE1 . GLU A 63 ? 0.6417 0.7107 0.7761 -0.0209 0.0552 0.0204 106 GLU A OE1 510 O OE2 . GLU A 63 ? 0.5909 0.6840 0.7309 -0.0151 0.0746 0.0230 106 GLU A OE2 511 N N . ASP A 64 ? 0.2001 0.2505 0.3354 -0.0125 0.0280 -0.0031 107 ASP A N 512 C CA . ASP A 64 ? 0.2214 0.2628 0.3528 -0.0145 0.0185 -0.0054 107 ASP A CA 513 C C . ASP A 64 ? 0.2289 0.2719 0.3617 -0.0118 0.0160 -0.0077 107 ASP A C 514 O O . ASP A 64 ? 0.1718 0.2138 0.3096 -0.0142 0.0083 -0.0065 107 ASP A O 515 C CB . ASP A 64 ? 0.1192 0.1490 0.2337 -0.0127 0.0170 -0.0097 107 ASP A CB 516 C CG . ASP A 64 ? 0.2249 0.2462 0.3366 -0.0156 0.0142 -0.0074 107 ASP A CG 517 O OD1 . ASP A 64 ? 0.1999 0.2233 0.3225 -0.0213 0.0126 -0.0017 107 ASP A OD1 518 O OD2 . ASP A 64 ? 0.2355 0.2481 0.3352 -0.0122 0.0133 -0.0108 107 ASP A OD2 519 N N . VAL A 65 ? 0.1993 0.2430 0.3264 -0.0074 0.0212 -0.0107 108 VAL A N 520 C CA . VAL A 65 ? 0.1911 0.2328 0.3174 -0.0053 0.0185 -0.0119 108 VAL A CA 521 C C . VAL A 65 ? 0.1801 0.2296 0.3234 -0.0035 0.0171 -0.0086 108 VAL A C 522 O O . VAL A 65 ? 0.1923 0.2394 0.3378 -0.0035 0.0101 -0.0071 108 VAL A O 523 C CB . VAL A 65 ? 0.1739 0.2124 0.2912 -0.0025 0.0233 -0.0155 108 VAL A CB 524 C CG1 . VAL A 65 ? 0.2211 0.2545 0.3367 -0.0018 0.0197 -0.0152 108 VAL A CG1 525 C CG2 . VAL A 65 ? 0.2155 0.2508 0.3206 -0.0039 0.0242 -0.0180 108 VAL A CG2 526 N N . ILE A 66 ? 0.1532 0.2131 0.3083 -0.0015 0.0239 -0.0069 109 ILE A N 527 C CA . ILE A 66 ? 0.1723 0.2443 0.3481 0.0016 0.0240 -0.0033 109 ILE A CA 528 C C . ILE A 66 ? 0.1614 0.2380 0.3496 -0.0044 0.0141 0.0016 109 ILE A C 529 O O . ILE A 66 ? 0.1590 0.2395 0.3588 -0.0028 0.0070 0.0040 109 ILE A O 530 C CB . ILE A 66 ? 0.1509 0.2361 0.3364 0.0048 0.0356 -0.0020 109 ILE A CB 531 C CG1 . ILE A 66 ? 0.1539 0.2330 0.3266 0.0121 0.0434 -0.0082 109 ILE A CG1 532 C CG2 . ILE A 66 ? 0.1583 0.2613 0.3695 0.0073 0.0360 0.0030 109 ILE A CG2 533 C CD1 . ILE A 66 ? 0.2170 0.3072 0.3928 0.0166 0.0558 -0.0081 109 ILE A CD1 534 N N . SER A 67 ? 0.1433 0.2174 0.3280 -0.0114 0.0122 0.0031 110 SER A N 535 C CA . SER A 67 ? 0.2115 0.2857 0.4048 -0.0187 0.0009 0.0068 110 SER A CA 536 C C . SER A 67 ? 0.2768 0.3381 0.4568 -0.0190 -0.0105 0.0038 110 SER A C 537 O O . SER A 67 ? 0.2104 0.2748 0.4005 -0.0218 -0.0213 0.0068 110 SER A O 538 C CB . SER A 67 ? 0.2815 0.3487 0.4686 -0.0258 0.0004 0.0078 110 SER A CB 539 O OG . SER A 67 ? 0.3901 0.4536 0.5838 -0.0338 -0.0123 0.0104 110 SER A OG 540 N N . LEU A 68 ? 0.2215 0.2698 0.3789 -0.0164 -0.0080 -0.0014 111 LEU A N 541 C CA . LEU A 68 ? 0.1722 0.2087 0.3129 -0.0164 -0.0161 -0.0037 111 LEU A CA 542 C C . LEU A 68 ? 0.2076 0.2480 0.3559 -0.0130 -0.0204 -0.0005 111 LEU A C 543 O O . LEU A 68 ? 0.2513 0.2881 0.3980 -0.0151 -0.0319 0.0016 111 LEU A O 544 C CB . LEU A 68 ? 0.2055 0.2328 0.3248 -0.0139 -0.0097 -0.0086 111 LEU A CB 545 C CG . LEU A 68 ? 0.2681 0.2839 0.3661 -0.0143 -0.0147 -0.0112 111 LEU A CG 546 C CD1 . LEU A 68 ? 0.3043 0.3150 0.3869 -0.0127 -0.0081 -0.0161 111 LEU A CD1 547 C CD2 . LEU A 68 ? 0.3157 0.3306 0.4097 -0.0124 -0.0153 -0.0085 111 LEU A CD2 548 N N . TRP A 69 ? 0.2101 0.2556 0.3653 -0.0073 -0.0123 -0.0004 112 TRP A N 549 C CA . TRP A 69 ? 0.1934 0.2395 0.3559 -0.0024 -0.0162 0.0025 112 TRP A CA 550 C C . TRP A 69 ? 0.2384 0.2980 0.4260 -0.0015 -0.0236 0.0077 112 TRP A C 551 O O . TRP A 69 ? 0.2383 0.2958 0.4287 -0.0001 -0.0342 0.0113 112 TRP A O 552 C CB . TRP A 69 ? 0.1697 0.2152 0.3333 0.0041 -0.0062 0.0001 112 TRP A CB 553 C CG . TRP A 69 ? 0.1563 0.1877 0.2984 0.0030 -0.0038 -0.0026 112 TRP A CG 554 C CD1 . TRP A 69 ? 0.1882 0.2152 0.3142 -0.0016 -0.0006 -0.0056 112 TRP A CD1 555 C CD2 . TRP A 69 ? 0.1758 0.1968 0.3124 0.0060 -0.0046 -0.0019 112 TRP A CD2 556 N NE1 . TRP A 69 ? 0.1778 0.1958 0.2908 -0.0023 0.0012 -0.0062 112 TRP A NE1 557 C CE2 . TRP A 69 ? 0.1613 0.1739 0.2795 0.0013 -0.0016 -0.0037 112 TRP A CE2 558 C CE3 . TRP A 69 ? 0.2279 0.2453 0.3743 0.0125 -0.0081 0.0005 112 TRP A CE3 559 C CZ2 . TRP A 69 ? 0.2052 0.2059 0.3148 0.0006 -0.0021 -0.0023 112 TRP A CZ2 560 C CZ3 . TRP A 69 ? 0.2513 0.2530 0.3867 0.0129 -0.0093 0.0011 112 TRP A CZ3 561 C CH2 . TRP A 69 ? 0.2726 0.2661 0.3898 0.0060 -0.0064 0.0001 112 TRP A CH2 562 N N . ASP A 70 ? 0.2000 0.2747 0.4065 -0.0029 -0.0184 0.0090 113 ASP A N 563 C CA . ASP A 70 ? 0.2527 0.3458 0.4885 -0.0030 -0.0242 0.0149 113 ASP A CA 564 C C . ASP A 70 ? 0.3680 0.4575 0.6034 -0.0109 -0.0413 0.0179 113 ASP A C 565 O O . ASP A 70 ? 0.3307 0.4313 0.5863 -0.0101 -0.0516 0.0230 113 ASP A O 566 C CB . ASP A 70 ? 0.3264 0.4375 0.5813 -0.0050 -0.0136 0.0170 113 ASP A CB 567 C CG . ASP A 70 ? 0.6544 0.7712 0.9104 0.0047 0.0021 0.0143 113 ASP A CG 568 O OD1 . ASP A 70 ? 0.6959 0.8072 0.9500 0.0137 0.0028 0.0116 113 ASP A OD1 569 O OD2 . ASP A 70 ? 0.7078 0.8308 0.9613 0.0032 0.0128 0.0148 113 ASP A OD2 570 N N . GLN A 71 ? 0.2977 0.3714 0.5096 -0.0179 -0.0449 0.0142 114 GLN A N 571 C CA . GLN A 71 ? 0.3806 0.4461 0.5855 -0.0254 -0.0616 0.0149 114 GLN A CA 572 C C . GLN A 71 ? 0.3654 0.4152 0.5463 -0.0229 -0.0705 0.0136 114 GLN A C 573 O O . GLN A 71 ? 0.3780 0.4219 0.5531 -0.0272 -0.0863 0.0150 114 GLN A O 574 C CB . GLN A 71 ? 0.3879 0.4406 0.5766 -0.0327 -0.0616 0.0104 114 GLN A CB 575 C CG . GLN A 71 ? 0.4548 0.5196 0.6641 -0.0377 -0.0549 0.0134 114 GLN A CG 576 C CD . GLN A 71 ? 0.5317 0.5792 0.7216 -0.0428 -0.0541 0.0089 114 GLN A CD 577 O OE1 . GLN A 71 ? 0.5389 0.5666 0.7035 -0.0438 -0.0619 0.0030 114 GLN A OE1 578 N NE2 . GLN A 71 ? 0.5534 0.6073 0.7535 -0.0453 -0.0445 0.0116 114 GLN A NE2 579 N N . SER A 72 ? 0.2579 0.3003 0.4237 -0.0167 -0.0609 0.0116 115 SER A N 580 C CA . SER A 72 ? 0.2826 0.3088 0.4211 -0.0158 -0.0663 0.0112 115 SER A CA 581 C C . SER A 72 ? 0.3487 0.3753 0.4933 -0.0096 -0.0695 0.0169 115 SER A C 582 O O . SER A 72 ? 0.2952 0.3144 0.4300 -0.0102 -0.0825 0.0210 115 SER A O 583 C CB . SER A 72 ? 0.3034 0.3189 0.4174 -0.0155 -0.0542 0.0057 115 SER A CB 584 O OG . SER A 72 ? 0.3947 0.4073 0.5021 -0.0195 -0.0520 0.0004 115 SER A OG 585 N N . LEU A 73 ? 0.2900 0.3228 0.4484 -0.0033 -0.0585 0.0168 116 LEU A N 586 C CA . LEU A 73 ? 0.3602 0.3894 0.5240 0.0039 -0.0611 0.0213 116 LEU A CA 587 C C . LEU A 73 ? 0.5190 0.5660 0.7172 0.0104 -0.0653 0.0252 116 LEU A C 588 O O . LEU A 73 ? 0.5663 0.6263 0.7840 0.0153 -0.0541 0.0228 116 LEU A O 589 C CB . LEU A 73 ? 0.4772 0.4982 0.6324 0.0075 -0.0480 0.0181 116 LEU A CB 590 C CG . LEU A 73 ? 0.5279 0.5331 0.6529 0.0022 -0.0448 0.0170 116 LEU A CG 591 C CD1 . LEU A 73 ? 0.5273 0.5355 0.6418 -0.0031 -0.0371 0.0110 116 LEU A CD1 592 C CD2 . LEU A 73 ? 0.5802 0.5755 0.7014 0.0055 -0.0380 0.0169 116 LEU A CD2 593 N N . GLN A 74 ? 0.4037 0.4520 0.6087 0.0109 -0.0813 0.0314 117 GLN A N 594 C CA . GLN A 74 ? 0.4312 0.4999 0.6726 0.0174 -0.0873 0.0361 117 GLN A CA 595 C C . GLN A 74 ? 0.3969 0.4591 0.6447 0.0293 -0.0903 0.0401 117 GLN A C 596 O O . GLN A 74 ? 0.3014 0.3481 0.5332 0.0292 -0.1033 0.0453 117 GLN A O 597 C CB . GLN A 74 ? 0.4388 0.5148 0.6877 0.0104 -0.1062 0.0410 117 GLN A CB 598 C CG . GLN A 74 ? 0.5943 0.6671 0.8286 -0.0020 -0.1075 0.0367 117 GLN A CG 599 C CD . GLN A 74 ? 0.7735 0.8677 1.0357 -0.0055 -0.0987 0.0355 117 GLN A CD 600 O OE1 . GLN A 74 ? 0.8570 0.9707 1.1474 -0.0003 -0.0940 0.0389 117 GLN A OE1 601 N NE2 . GLN A 74 ? 0.7940 0.8807 1.0402 -0.0139 -0.0933 0.0304 117 GLN A NE2 602 N N . PRO A 75 ? 0.3449 0.4169 0.6138 0.0400 -0.0783 0.0376 118 PRO A N 603 C CA . PRO A 75 ? 0.3104 0.3754 0.5888 0.0534 -0.0820 0.0406 118 PRO A CA 604 C C . PRO A 75 ? 0.3158 0.3958 0.6143 0.0570 -0.0933 0.0465 118 PRO A C 605 O O . PRO A 75 ? 0.3625 0.4644 0.6770 0.0515 -0.0928 0.0469 118 PRO A O 606 C CB . PRO A 75 ? 0.3930 0.4638 0.6810 0.0625 -0.0629 0.0330 118 PRO A CB 607 C CG . PRO A 75 ? 0.4053 0.4978 0.7024 0.0551 -0.0523 0.0298 118 PRO A CG 608 C CD . PRO A 75 ? 0.3630 0.4499 0.6438 0.0408 -0.0605 0.0314 118 PRO A CD 609 N N . CYS A 76 ? 0.2768 0.3436 0.5721 0.0650 -0.1032 0.0513 119 CYS A N 610 C CA . CYS A 76 ? 0.3198 0.3998 0.6325 0.0693 -0.1144 0.0569 119 CYS A CA 611 C C . CYS A 76 ? 0.3397 0.4461 0.6812 0.0785 -0.1013 0.0533 119 CYS A C 612 O O . CYS A 76 ? 0.4687 0.5982 0.8313 0.0770 -0.1061 0.0567 119 CYS A O 613 C CB . CYS A 76 ? 0.3435 0.4010 0.6442 0.0771 -0.1265 0.0628 119 CYS A CB 614 S SG . CYS A 76 ? 0.6783 0.7036 0.9394 0.0662 -0.1418 0.0695 119 CYS A SG 615 N N . VAL A 77 ? 0.3962 0.4986 0.7365 0.0881 -0.0849 0.0465 120 VAL A N 616 C CA . VAL A 77 ? 0.4306 0.5565 0.7925 0.0985 -0.0708 0.0424 120 VAL A CA 617 C C . VAL A 77 ? 0.4308 0.5589 0.7850 0.0972 -0.0511 0.0340 120 VAL A C 618 O O . VAL A 77 ? 0.3627 0.4676 0.6965 0.0988 -0.0456 0.0288 120 VAL A O 619 C CB . VAL A 77 ? 0.3897 0.5075 0.7562 0.1168 -0.0712 0.0418 120 VAL A CB 620 C CG1 . VAL A 77 ? 0.4237 0.5666 0.8098 0.1293 -0.0554 0.0366 120 VAL A CG1 621 C CG2 . VAL A 77 ? 0.4271 0.5434 0.8012 0.1189 -0.0911 0.0509 120 VAL A CG2 622 N N . LYS A 78 ? 0.3326 0.4879 0.7022 0.0935 -0.0411 0.0332 121 LYS A N 623 C CA . LYS A 78 ? 0.3808 0.5405 0.7423 0.0927 -0.0224 0.0261 121 LYS A CA 624 C C . LYS A 78 ? 0.3057 0.4834 0.6799 0.1075 -0.0090 0.0220 121 LYS A C 625 O O . LYS A 78 ? 0.3869 0.5917 0.7856 0.1103 -0.0097 0.0261 121 LYS A O 626 C CB . LYS A 78 ? 0.5852 0.7593 0.9494 0.0766 -0.0203 0.0287 121 LYS A CB 627 C CG . LYS A 78 ? 0.7232 0.8793 1.0713 0.0630 -0.0314 0.0306 121 LYS A CG 628 C CD . LYS A 78 ? 0.7925 0.9597 1.1413 0.0485 -0.0286 0.0321 121 LYS A CD 629 C CE . LYS A 78 ? 0.9033 1.0522 1.2343 0.0369 -0.0393 0.0325 121 LYS A CE 630 N NZ . LYS A 78 ? 0.9773 1.1331 1.3070 0.0234 -0.0377 0.0334 121 LYS A NZ 631 N N . LEU A 79 ? 0.3247 0.4876 0.6817 0.1171 0.0028 0.0136 122 LEU A N 632 C CA . LEU A 79 ? 0.4948 0.6714 0.8585 0.1333 0.0157 0.0077 122 LEU A CA 633 C C . LEU A 79 ? 0.6024 0.7851 0.9528 0.1304 0.0330 0.0011 122 LEU A C 634 O O . LEU A 79 ? 0.6245 0.7874 0.9526 0.1375 0.0407 -0.0075 122 LEU A O 635 C CB . LEU A 79 ? 0.5007 0.6510 0.8523 0.1498 0.0132 0.0025 122 LEU A CB 636 C CG . LEU A 79 ? 0.5278 0.6666 0.8879 0.1529 -0.0048 0.0097 122 LEU A CG 637 C CD1 . LEU A 79 ? 0.6131 0.7135 0.9512 0.1622 -0.0087 0.0055 122 LEU A CD1 638 C CD2 . LEU A 79 ? 0.4995 0.6671 0.8891 0.1643 -0.0074 0.0139 122 LEU A CD2 639 N N . THR A 80 ? 0.7097 0.9184 1.0727 0.1194 0.0380 0.0055 123 THR A N 640 C CA . THR A 80 ? 0.8253 1.0397 1.1749 0.1142 0.0529 0.0013 123 THR A CA 641 C C . THR A 80 ? 0.8599 1.1087 1.2291 0.1186 0.0649 0.0015 123 THR A C 642 O O . THR A 80 ? 0.8384 1.1116 1.2324 0.1108 0.0612 0.0095 123 THR A O 643 C CB . THR A 80 ? 0.8921 1.1018 1.2338 0.0943 0.0492 0.0065 123 THR A CB 644 O OG1 . THR A 80 ? 0.9751 1.2098 1.3405 0.0842 0.0451 0.0152 123 THR A OG1 645 C CG2 . THR A 80 ? 0.8901 1.0723 1.2198 0.0886 0.0355 0.0076 123 THR A CG2 646 N N . GLY A 81 ? 0.8934 1.1436 1.2513 0.1306 0.0789 -0.0079 124 GLY A N 647 C CA . GLY A 81 ? 0.9025 1.1849 1.2763 0.1343 0.0928 -0.0093 124 GLY A CA 648 C C . GLY A 81 ? 0.9024 1.2134 1.3110 0.1441 0.0906 -0.0064 124 GLY A C 649 O O . GLY A 81 ? 0.9376 1.2802 1.3706 0.1374 0.0957 -0.0005 124 GLY A O 650 N N . GLY A 82 ? 0.8244 1.1236 1.2356 0.1600 0.0824 -0.0100 198 GLY A N 651 C CA . GLY A 82 ? 0.7871 1.1123 1.2309 0.1725 0.0793 -0.0080 198 GLY A CA 652 C C . GLY A 82 ? 0.7410 1.0787 1.2098 0.1608 0.0637 0.0051 198 GLY A C 653 O O . GLY A 82 ? 0.7458 1.1016 1.2413 0.1707 0.0570 0.0081 198 GLY A O 654 N N . SER A 83 ? 0.6744 1.0021 1.1342 0.1402 0.0570 0.0122 199 SER A N 655 C CA . SER A 83 ? 0.6202 0.9558 1.0994 0.1272 0.0407 0.0232 199 SER A CA 656 C C . SER A 83 ? 0.5886 0.8917 1.0528 0.1264 0.0235 0.0251 199 SER A C 657 O O . SER A 83 ? 0.6694 0.9426 1.1048 0.1228 0.0239 0.0212 199 SER A O 658 C CB . SER A 83 ? 0.6321 0.9751 1.1109 0.1051 0.0422 0.0294 199 SER A CB 659 O OG . SER A 83 ? 0.5977 0.9117 1.0439 0.0969 0.0444 0.0261 199 SER A OG 660 N N . VAL A 84 ? 0.5566 0.8665 1.0409 0.1295 0.0083 0.0312 200 VAL A N 661 C CA . VAL A 84 ? 0.4828 0.7634 0.9541 0.1283 -0.0092 0.0341 200 VAL A CA 662 C C . VAL A 84 ? 0.5125 0.7939 0.9888 0.1089 -0.0251 0.0427 200 VAL A C 663 O O . VAL A 84 ? 0.5374 0.8443 1.0401 0.1044 -0.0321 0.0491 200 VAL A O 664 C CB . VAL A 84 ? 0.5622 0.8434 1.0469 0.1468 -0.0177 0.0351 200 VAL A CB 665 C CG1 . VAL A 84 ? 0.6457 0.8945 1.1143 0.1442 -0.0361 0.0391 200 VAL A CG1 666 C CG2 . VAL A 84 ? 0.5308 0.8085 1.0085 0.1678 -0.0028 0.0254 200 VAL A CG2 667 N N . ILE A 85 ? 0.4056 0.6589 0.8564 0.0976 -0.0311 0.0423 201 ILE A N 668 C CA . ILE A 85 ? 0.4915 0.7410 0.9410 0.0799 -0.0464 0.0485 201 ILE A CA 669 C C . ILE A 85 ? 0.5687 0.7919 1.0037 0.0799 -0.0649 0.0512 201 ILE A C 670 O O . ILE A 85 ? 0.6023 0.7984 1.0125 0.0804 -0.0642 0.0476 201 ILE A O 671 C CB . ILE A 85 ? 0.5433 0.7838 0.9744 0.0652 -0.0390 0.0462 201 ILE A CB 672 C CG1 . ILE A 85 ? 0.5727 0.8375 1.0151 0.0638 -0.0213 0.0448 201 ILE A CG1 673 C CG2 . ILE A 85 ? 0.5369 0.7705 0.9640 0.0483 -0.0557 0.0513 201 ILE A CG2 674 C CD1 . ILE A 85 ? 0.5501 0.8054 0.9739 0.0503 -0.0139 0.0432 201 ILE A CD1 675 N N . LYS A 86 ? 0.5706 0.8024 1.0210 0.0789 -0.0819 0.0580 202 LYS A N 676 C CA . LYS A 86 ? 0.4984 0.7061 0.9330 0.0772 -0.1013 0.0619 202 LYS A CA 677 C C . LYS A 86 ? 0.5164 0.7180 0.9403 0.0586 -0.1151 0.0651 202 LYS A C 678 O O . LYS A 86 ? 0.6046 0.8260 1.0462 0.0500 -0.1203 0.0685 202 LYS A O 679 C CB . LYS A 86 ? 0.4715 0.6888 0.9252 0.0889 -0.1134 0.0673 202 LYS A CB 680 C CG . LYS A 86 ? 0.5361 0.7631 1.0038 0.1091 -0.1003 0.0637 202 LYS A CG 681 C CD . LYS A 86 ? 0.5911 0.8218 1.0737 0.1218 -0.1145 0.0694 202 LYS A CD 682 C CE . LYS A 86 ? 0.7051 0.9560 1.2098 0.1423 -0.1013 0.0659 202 LYS A CE 683 N NZ . LYS A 86 ? 0.7252 0.9571 1.2103 0.1526 -0.0839 0.0569 202 LYS A NZ 684 N N . GLN A 87 ? 0.4883 0.6617 0.8821 0.0526 -0.1212 0.0637 203 GLN A N 685 C CA . GLN A 87 ? 0.5825 0.7462 0.9599 0.0364 -0.1336 0.0649 203 GLN A CA 686 C C . GLN A 87 ? 0.6442 0.7782 0.9903 0.0349 -0.1479 0.0665 203 GLN A C 687 O O . GLN A 87 ? 0.5990 0.7186 0.9362 0.0452 -0.1468 0.0672 203 GLN A O 688 C CB . GLN A 87 ? 0.5547 0.7191 0.9248 0.0273 -0.1197 0.0594 203 GLN A CB 689 C CG . GLN A 87 ? 0.6465 0.7937 0.9974 0.0323 -0.1068 0.0538 203 GLN A CG 690 C CD . GLN A 87 ? 0.7659 0.9153 1.1108 0.0241 -0.0929 0.0487 203 GLN A CD 691 O OE1 . GLN A 87 ? 0.8725 1.0069 1.1991 0.0243 -0.0856 0.0442 203 GLN A OE1 692 N NE2 . GLN A 87 ? 0.7136 0.8816 1.0742 0.0166 -0.0896 0.0501 203 GLN A NE2 693 N N . ALA A 88 ? 0.6067 0.7301 0.9337 0.0219 -0.1614 0.0671 204 ALA A N 694 C CA . ALA A 88 ? 0.5563 0.6516 0.8476 0.0191 -0.1740 0.0685 204 ALA A CA 695 C C . ALA A 88 ? 0.5203 0.6007 0.7926 0.0204 -0.1613 0.0640 204 ALA A C 696 O O . ALA A 88 ? 0.4575 0.5466 0.7373 0.0177 -0.1466 0.0583 204 ALA A O 697 C CB . ALA A 88 ? 0.5214 0.6087 0.7933 0.0054 -0.1898 0.0682 204 ALA A CB 698 N N . CYS A 89 ? 0.5006 0.5581 0.7477 0.0242 -0.1671 0.0673 205 CYS A N 699 C CA . CYS A 89 ? 0.4743 0.5163 0.7029 0.0255 -0.1558 0.0643 205 CYS A CA 700 C C . CYS A 89 ? 0.4651 0.4794 0.6461 0.0179 -0.1620 0.0660 205 CYS A C 701 O O . CYS A 89 ? 0.4550 0.4503 0.6177 0.0219 -0.1620 0.0708 205 CYS A O 702 C CB . CYS A 89 ? 0.4643 0.5026 0.7057 0.0389 -0.1457 0.0651 205 CYS A CB 703 S SG . CYS A 89 ? 0.4638 0.4936 0.7074 0.0483 -0.1594 0.0736 205 CYS A SG 704 N N . PRO A 90 ? 0.5553 0.5666 0.7153 0.0069 -0.1667 0.0621 206 PRO A N 705 C CA . PRO A 90 ? 0.5441 0.5315 0.6574 0.0004 -0.1726 0.0634 206 PRO A CA 706 C C . PRO A 90 ? 0.3342 0.3074 0.4208 -0.0011 -0.1529 0.0594 206 PRO A C 707 O O . PRO A 90 ? 0.4188 0.4001 0.5182 -0.0003 -0.1358 0.0526 206 PRO A O 708 C CB . PRO A 90 ? 0.4800 0.4700 0.5833 -0.0092 -0.1808 0.0574 206 PRO A CB 709 C CG . PRO A 90 ? 0.5384 0.5483 0.6740 -0.0100 -0.1687 0.0508 206 PRO A CG 710 C CD . PRO A 90 ? 0.5632 0.5914 0.7399 0.0000 -0.1652 0.0558 206 PRO A CD 711 N N . LYS A 91 ? 0.4278 0.3808 0.4778 -0.0037 -0.1558 0.0646 207 LYS A N 712 C CA . LYS A 91 ? 0.3937 0.3355 0.4181 -0.0070 -0.1383 0.0622 207 LYS A CA 713 C C . LYS A 91 ? 0.4337 0.3774 0.4392 -0.0134 -0.1299 0.0521 207 LYS A C 714 O O . LYS A 91 ? 0.3972 0.3386 0.3885 -0.0171 -0.1414 0.0495 207 LYS A O 715 C CB . LYS A 91 ? 0.4161 0.3376 0.4079 -0.0089 -0.1437 0.0728 207 LYS A CB 716 C CG . LYS A 91 ? 0.4270 0.3412 0.4349 -0.0022 -0.1476 0.0823 207 LYS A CG 717 C CD . LYS A 91 ? 0.5337 0.4497 0.5568 -0.0003 -0.1290 0.0775 207 LYS A CD 718 C CE . LYS A 91 ? 0.6126 0.5289 0.6674 0.0102 -0.1329 0.0803 207 LYS A CE 719 N NZ . LYS A 91 ? 0.4012 0.3154 0.4660 0.0118 -0.1163 0.0747 207 LYS A NZ 720 N N . ILE A 92 ? 0.3423 0.2890 0.3476 -0.0143 -0.1109 0.0461 208 ILE A N 721 C CA . ILE A 92 ? 0.3173 0.2669 0.3102 -0.0180 -0.1020 0.0360 208 ILE A CA 722 C C . ILE A 92 ? 0.3486 0.2916 0.3141 -0.0205 -0.0870 0.0347 208 ILE A C 723 O O . ILE A 92 ? 0.3902 0.3277 0.3496 -0.0211 -0.0818 0.0421 208 ILE A O 724 C CB . ILE A 92 ? 0.3661 0.3309 0.3903 -0.0162 -0.0931 0.0286 208 ILE A CB 725 C CG1 . ILE A 92 ? 0.3741 0.3426 0.4121 -0.0131 -0.0786 0.0293 208 ILE A CG1 726 C CG2 . ILE A 92 ? 0.3898 0.3659 0.4443 -0.0146 -0.1059 0.0302 208 ILE A CG2 727 C CD1 . ILE A 92 ? 0.3788 0.3609 0.4419 -0.0112 -0.0686 0.0225 208 ILE A CD1 728 N N . SER A 93 ? 0.3385 0.2822 0.2888 -0.0221 -0.0803 0.0258 209 SER A N 729 C CA . SER A 93 ? 0.3526 0.2965 0.2843 -0.0231 -0.0637 0.0231 209 SER A CA 730 C C . SER A 93 ? 0.3623 0.3185 0.3195 -0.0214 -0.0507 0.0172 209 SER A C 731 O O . SER A 93 ? 0.2759 0.2371 0.2462 -0.0200 -0.0515 0.0097 209 SER A O 732 C CB . SER A 93 ? 0.4216 0.3589 0.3219 -0.0232 -0.0636 0.0156 209 SER A CB 733 O OG . SER A 93 ? 0.3989 0.3407 0.2855 -0.0225 -0.0461 0.0126 209 SER A OG 734 N N . PHE A 94 ? 0.3019 0.2617 0.2652 -0.0224 -0.0399 0.0213 210 PHE A N 735 C CA . PHE A 94 ? 0.3217 0.2918 0.3089 -0.0210 -0.0300 0.0167 210 PHE A CA 736 C C . PHE A 94 ? 0.3066 0.2821 0.2864 -0.0234 -0.0156 0.0163 210 PHE A C 737 O O . PHE A 94 ? 0.3259 0.2979 0.2978 -0.0275 -0.0127 0.0241 210 PHE A O 738 C CB . PHE A 94 ? 0.2926 0.2620 0.3028 -0.0193 -0.0341 0.0214 210 PHE A CB 739 C CG . PHE A 94 ? 0.2279 0.2061 0.2600 -0.0171 -0.0254 0.0160 210 PHE A CG 740 C CD1 . PHE A 94 ? 0.2941 0.2730 0.3266 -0.0195 -0.0160 0.0165 210 PHE A CD1 741 C CD2 . PHE A 94 ? 0.2876 0.2735 0.3391 -0.0135 -0.0272 0.0113 210 PHE A CD2 742 C CE1 . PHE A 94 ? 0.2711 0.2563 0.3201 -0.0176 -0.0097 0.0113 210 PHE A CE1 743 C CE2 . PHE A 94 ? 0.3198 0.3130 0.3873 -0.0114 -0.0190 0.0069 210 PHE A CE2 744 C CZ . PHE A 94 ? 0.2522 0.2441 0.3169 -0.0130 -0.0108 0.0064 210 PHE A CZ 745 N N . ASP A 95 ? 0.2514 0.2358 0.2353 -0.0213 -0.0074 0.0082 211 ASP A N 746 C CA . ASP A 95 ? 0.2644 0.2585 0.2470 -0.0227 0.0057 0.0073 211 ASP A CA 747 C C . ASP A 95 ? 0.2997 0.3025 0.2937 -0.0183 0.0109 -0.0018 211 ASP A C 748 O O . ASP A 95 ? 0.3063 0.3075 0.2896 -0.0144 0.0107 -0.0081 211 ASP A O 749 C CB . ASP A 95 ? 0.3628 0.3571 0.3192 -0.0240 0.0113 0.0099 211 ASP A CB 750 C CG . ASP A 95 ? 0.5408 0.5495 0.5001 -0.0265 0.0253 0.0115 211 ASP A CG 751 O OD1 . ASP A 95 ? 0.4673 0.4818 0.4466 -0.0298 0.0277 0.0137 211 ASP A OD1 752 O OD2 . ASP A 95 ? 0.6056 0.6204 0.5474 -0.0249 0.0337 0.0106 211 ASP A OD2 753 N N . PRO A 96 ? 0.2924 0.3019 0.3061 -0.0187 0.0145 -0.0026 212 PRO A N 754 C CA . PRO A 96 ? 0.2192 0.2356 0.2444 -0.0148 0.0178 -0.0096 212 PRO A CA 755 C C . PRO A 96 ? 0.2377 0.2612 0.2541 -0.0112 0.0253 -0.0144 212 PRO A C 756 O O . PRO A 96 ? 0.2469 0.2779 0.2561 -0.0127 0.0325 -0.0117 212 PRO A O 757 C CB . PRO A 96 ? 0.2069 0.2286 0.2481 -0.0172 0.0209 -0.0080 212 PRO A CB 758 C CG . PRO A 96 ? 0.2297 0.2426 0.2718 -0.0206 0.0158 -0.0019 212 PRO A CG 759 C CD . PRO A 96 ? 0.3251 0.3332 0.3492 -0.0230 0.0143 0.0032 212 PRO A CD 760 N N . ILE A 97 ? 0.2263 0.2476 0.2440 -0.0062 0.0237 -0.0210 213 ILE A N 761 C CA . ILE A 97 ? 0.1852 0.2113 0.1964 -0.0001 0.0300 -0.0267 213 ILE A CA 762 C C . ILE A 97 ? 0.1988 0.2310 0.2261 0.0030 0.0317 -0.0295 213 ILE A C 763 O O . ILE A 97 ? 0.2086 0.2373 0.2470 0.0008 0.0270 -0.0284 213 ILE A O 764 C CB . ILE A 97 ? 0.3225 0.3348 0.3151 0.0044 0.0250 -0.0328 213 ILE A CB 765 C CG1 . ILE A 97 ? 0.2649 0.2661 0.2656 0.0038 0.0153 -0.0352 213 ILE A CG1 766 C CG2 . ILE A 97 ? 0.3519 0.3569 0.3247 0.0014 0.0218 -0.0299 213 ILE A CG2 767 C CD1 . ILE A 97 ? 0.3206 0.3054 0.3043 0.0072 0.0086 -0.0422 213 ILE A CD1 768 N N . PRO A 98 ? 0.2316 0.2742 0.2604 0.0085 0.0387 -0.0325 214 PRO A N 769 C CA . PRO A 98 ? 0.1735 0.2215 0.2162 0.0119 0.0389 -0.0343 214 PRO A CA 770 C C . PRO A 98 ? 0.2297 0.2628 0.2704 0.0154 0.0323 -0.0381 214 PRO A C 771 O O . PRO A 98 ? 0.2389 0.2600 0.2665 0.0196 0.0298 -0.0428 214 PRO A O 772 C CB . PRO A 98 ? 0.2310 0.2936 0.2750 0.0188 0.0470 -0.0367 214 PRO A CB 773 C CG . PRO A 98 ? 0.3275 0.3984 0.3637 0.0152 0.0535 -0.0333 214 PRO A CG 774 C CD . PRO A 98 ? 0.2823 0.3353 0.3018 0.0117 0.0476 -0.0330 214 PRO A CD 775 N N . ILE A 99 ? 0.1990 0.2318 0.2512 0.0132 0.0293 -0.0358 215 ILE A N 776 C CA . ILE A 99 ? 0.2062 0.2264 0.2587 0.0146 0.0237 -0.0370 215 ILE A CA 777 C C . ILE A 99 ? 0.2274 0.2521 0.2871 0.0192 0.0248 -0.0368 215 ILE A C 778 O O . ILE A 99 ? 0.2466 0.2828 0.3148 0.0172 0.0271 -0.0340 215 ILE A O 779 C CB . ILE A 99 ? 0.2763 0.2927 0.3354 0.0074 0.0195 -0.0327 215 ILE A CB 780 C CG1 . ILE A 99 ? 0.2482 0.2613 0.3025 0.0033 0.0166 -0.0317 215 ILE A CG1 781 C CG2 . ILE A 99 ? 0.3074 0.3125 0.3683 0.0069 0.0144 -0.0320 215 ILE A CG2 782 C CD1 . ILE A 99 ? 0.3111 0.3114 0.3513 0.0051 0.0115 -0.0359 215 ILE A CD1 783 N N . HIS A 100 ? 0.2503 0.2638 0.3051 0.0254 0.0219 -0.0400 216 HIS A N 784 C CA . HIS A 100 ? 0.2691 0.2840 0.3293 0.0309 0.0211 -0.0390 216 HIS A CA 785 C C . HIS A 100 ? 0.2891 0.2916 0.3504 0.0264 0.0158 -0.0344 216 HIS A C 786 O O . HIS A 100 ? 0.2658 0.2541 0.3228 0.0224 0.0114 -0.0342 216 HIS A O 787 C CB . HIS A 100 ? 0.1941 0.2027 0.2484 0.0423 0.0211 -0.0448 216 HIS A CB 788 C CG . HIS A 100 ? 0.2814 0.3044 0.3343 0.0478 0.0286 -0.0490 216 HIS A CG 789 N ND1 . HIS A 100 ? 0.3056 0.3478 0.3689 0.0549 0.0336 -0.0492 216 HIS A ND1 790 C CD2 . HIS A 100 ? 0.2985 0.3208 0.3406 0.0468 0.0321 -0.0524 216 HIS A CD2 791 C CE1 . HIS A 100 ? 0.2758 0.3303 0.3364 0.0578 0.0414 -0.0520 216 HIS A CE1 792 N NE2 . HIS A 100 ? 0.2631 0.3045 0.3087 0.0531 0.0408 -0.0540 216 HIS A NE2 793 N N . TYR A 101 ? 0.2181 0.2265 0.2848 0.0263 0.0158 -0.0300 217 TYR A N 794 C CA . TYR A 101 ? 0.1775 0.1755 0.2434 0.0221 0.0123 -0.0242 217 TYR A CA 795 C C . TYR A 101 ? 0.2360 0.2237 0.2988 0.0291 0.0078 -0.0227 217 TYR A C 796 O O . TYR A 101 ? 0.2118 0.2087 0.2773 0.0359 0.0079 -0.0234 217 TYR A O 797 C CB . TYR A 101 ? 0.2354 0.2444 0.3051 0.0162 0.0156 -0.0198 217 TYR A CB 798 C CG . TYR A 101 ? 0.2318 0.2446 0.3051 0.0095 0.0183 -0.0198 217 TYR A CG 799 C CD1 . TYR A 101 ? 0.2718 0.2788 0.3477 0.0037 0.0175 -0.0156 217 TYR A CD1 800 C CD2 . TYR A 101 ? 0.2817 0.3041 0.3571 0.0091 0.0211 -0.0232 217 TYR A CD2 801 C CE1 . TYR A 101 ? 0.1923 0.2045 0.2743 -0.0009 0.0191 -0.0153 217 TYR A CE1 802 C CE2 . TYR A 101 ? 0.2923 0.3163 0.3710 0.0043 0.0222 -0.0227 217 TYR A CE2 803 C CZ . TYR A 101 ? 0.2760 0.2955 0.3586 0.0001 0.0210 -0.0191 217 TYR A CZ 804 O OH . TYR A 101 ? 0.3291 0.3521 0.4177 -0.0032 0.0213 -0.0182 217 TYR A OH 805 N N . CYS A 102 ? 0.2088 0.1769 0.2670 0.0269 0.0027 -0.0199 218 CYS A N 806 C CA . CYS A 102 ? 0.2704 0.2221 0.3238 0.0344 -0.0032 -0.0190 218 CYS A CA 807 C C . CYS A 102 ? 0.2326 0.1704 0.2831 0.0277 -0.0073 -0.0090 218 CYS A C 808 O O . CYS A 102 ? 0.2850 0.2215 0.3375 0.0169 -0.0061 -0.0041 218 CYS A O 809 C CB . CYS A 102 ? 0.3454 0.2793 0.3923 0.0403 -0.0070 -0.0268 218 CYS A CB 810 S SG . CYS A 102 ? 0.3717 0.3203 0.4176 0.0455 -0.0005 -0.0374 218 CYS A SG 811 N N . THR A 103 ? 0.2831 0.2113 0.3296 0.0344 -0.0121 -0.0050 219 THR A N 812 C CA . THR A 103 ? 0.2977 0.2110 0.3389 0.0283 -0.0161 0.0062 219 THR A CA 813 C C . THR A 103 ? 0.2871 0.1700 0.3232 0.0280 -0.0245 0.0072 219 THR A C 814 O O . THR A 103 ? 0.3340 0.2046 0.3675 0.0385 -0.0288 -0.0014 219 THR A O 815 C CB . THR A 103 ? 0.3011 0.2180 0.3383 0.0350 -0.0187 0.0120 219 THR A CB 816 O OG1 . THR A 103 ? 0.3252 0.2478 0.3665 0.0491 -0.0212 0.0041 219 THR A OG1 817 C CG2 . THR A 103 ? 0.3004 0.2391 0.3373 0.0292 -0.0123 0.0155 219 THR A CG2 818 N N . PRO A 104 ? 0.3477 0.2179 0.3822 0.0158 -0.0268 0.0179 220 PRO A N 819 C CA . PRO A 104 ? 0.3782 0.2157 0.4074 0.0131 -0.0367 0.0209 220 PRO A CA 820 C C . PRO A 104 ? 0.4484 0.2668 0.4689 0.0219 -0.0438 0.0270 220 PRO A C 821 O O . PRO A 104 ? 0.3868 0.2201 0.4063 0.0301 -0.0414 0.0285 220 PRO A O 822 C CB . PRO A 104 ? 0.4126 0.2509 0.4469 -0.0051 -0.0348 0.0328 220 PRO A CB 823 C CG . PRO A 104 ? 0.3632 0.2283 0.3990 -0.0074 -0.0245 0.0394 220 PRO A CG 824 C CD . PRO A 104 ? 0.4091 0.2955 0.4471 0.0035 -0.0194 0.0275 220 PRO A CD 825 N N . ALA A 105 ? 0.4650 0.2494 0.4794 0.0201 -0.0540 0.0306 221 ALA A N 826 C CA . ALA A 105 ? 0.4465 0.2074 0.4520 0.0288 -0.0628 0.0374 221 ALA A CA 827 C C . ALA A 105 ? 0.5058 0.2758 0.5072 0.0216 -0.0600 0.0540 221 ALA A C 828 O O . ALA A 105 ? 0.4799 0.2605 0.4836 0.0057 -0.0536 0.0634 221 ALA A O 829 C CB . ALA A 105 ? 0.4894 0.2080 0.4881 0.0255 -0.0750 0.0390 221 ALA A CB 830 N N . GLY A 106 ? 0.4978 0.2648 0.4930 0.0341 -0.0647 0.0575 222 GLY A N 831 C CA . GLY A 106 ? 0.5217 0.2947 0.5081 0.0290 -0.0637 0.0729 222 GLY A CA 832 C C . GLY A 106 ? 0.4768 0.2868 0.4657 0.0315 -0.0546 0.0692 222 GLY A C 833 O O . GLY A 106 ? 0.5197 0.3368 0.4983 0.0296 -0.0541 0.0794 222 GLY A O 834 N N . TYR A 107 ? 0.3601 0.1917 0.3607 0.0353 -0.0482 0.0547 223 TYR A N 835 C CA . TYR A 107 ? 0.3460 0.2104 0.3503 0.0366 -0.0404 0.0499 223 TYR A CA 836 C C . TYR A 107 ? 0.3826 0.2611 0.3979 0.0507 -0.0411 0.0360 223 TYR A C 837 O O . TYR A 107 ? 0.4036 0.2697 0.4238 0.0585 -0.0442 0.0280 223 TYR A O 838 C CB . TYR A 107 ? 0.3927 0.2740 0.4017 0.0233 -0.0290 0.0483 223 TYR A CB 839 C CG . TYR A 107 ? 0.4374 0.3134 0.4386 0.0092 -0.0249 0.0623 223 TYR A CG 840 C CD1 . TYR A 107 ? 0.4707 0.3261 0.4737 -0.0004 -0.0275 0.0693 223 TYR A CD1 841 C CD2 . TYR A 107 ? 0.4034 0.2956 0.3954 0.0051 -0.0180 0.0685 223 TYR A CD2 842 C CE1 . TYR A 107 ? 0.4887 0.3432 0.4877 -0.0144 -0.0224 0.0836 223 TYR A CE1 843 C CE2 . TYR A 107 ? 0.4385 0.3288 0.4231 -0.0071 -0.0118 0.0816 223 TYR A CE2 844 C CZ . TYR A 107 ? 0.4668 0.3401 0.4565 -0.0172 -0.0134 0.0899 223 TYR A CZ 845 O OH . TYR A 107 ? 0.5610 0.4361 0.5463 -0.0303 -0.0059 0.1046 223 TYR A OH 846 N N . VAL A 108 ? 0.3554 0.2598 0.3741 0.0535 -0.0381 0.0331 224 VAL A N 847 C CA . VAL A 108 ? 0.3113 0.2352 0.3436 0.0642 -0.0370 0.0215 224 VAL A CA 848 C C . VAL A 108 ? 0.3117 0.2636 0.3477 0.0582 -0.0304 0.0183 224 VAL A C 849 O O . VAL A 108 ? 0.3078 0.2626 0.3338 0.0495 -0.0285 0.0247 224 VAL A O 850 C CB . VAL A 108 ? 0.5095 0.4312 0.5458 0.0800 -0.0468 0.0223 224 VAL A CB 851 C CG1 . VAL A 108 ? 0.3906 0.3289 0.4244 0.0801 -0.0514 0.0283 224 VAL A CG1 852 C CG2 . VAL A 108 ? 0.5244 0.4591 0.5764 0.0926 -0.0442 0.0100 224 VAL A CG2 853 N N . ILE A 109 ? 0.2389 0.2101 0.2882 0.0627 -0.0264 0.0085 225 ILE A N 854 C CA . ILE A 109 ? 0.2219 0.2170 0.2758 0.0569 -0.0217 0.0052 225 ILE A CA 855 C C . ILE A 109 ? 0.2392 0.2524 0.3024 0.0649 -0.0282 0.0046 225 ILE A C 856 O O . ILE A 109 ? 0.2753 0.2957 0.3518 0.0759 -0.0300 0.0005 225 ILE A O 857 C CB . ILE A 109 ? 0.2328 0.2382 0.2956 0.0536 -0.0130 -0.0035 225 ILE A CB 858 C CG1 . ILE A 109 ? 0.3015 0.2921 0.3574 0.0449 -0.0083 -0.0025 225 ILE A CG1 859 C CG2 . ILE A 109 ? 0.2509 0.2783 0.3192 0.0481 -0.0098 -0.0065 225 ILE A CG2 860 C CD1 . ILE A 109 ? 0.2690 0.2658 0.3313 0.0426 -0.0020 -0.0102 225 ILE A CD1 861 N N . LEU A 110 ? 0.2115 0.2325 0.2679 0.0597 -0.0320 0.0084 226 LEU A N 862 C CA . LEU A 110 ? 0.2112 0.2519 0.2780 0.0647 -0.0398 0.0078 226 LEU A CA 863 C C . LEU A 110 ? 0.2330 0.2956 0.3118 0.0582 -0.0343 0.0006 226 LEU A C 864 O O . LEU A 110 ? 0.2438 0.3039 0.3144 0.0482 -0.0278 -0.0017 226 LEU A O 865 C CB . LEU A 110 ? 0.2468 0.2824 0.2971 0.0623 -0.0495 0.0154 226 LEU A CB 866 C CG . LEU A 110 ? 0.3027 0.3158 0.3396 0.0681 -0.0566 0.0252 226 LEU A CG 867 C CD1 . LEU A 110 ? 0.3515 0.3630 0.3714 0.0668 -0.0677 0.0329 226 LEU A CD1 868 C CD2 . LEU A 110 ? 0.3408 0.3521 0.3940 0.0826 -0.0616 0.0244 226 LEU A CD2 869 N N . LYS A 111 ? 0.2369 0.3213 0.3366 0.0642 -0.0369 -0.0024 227 LYS A N 870 C CA . LYS A 111 ? 0.2120 0.3177 0.3257 0.0574 -0.0319 -0.0077 227 LYS A CA 871 C C . LYS A 111 ? 0.2230 0.3503 0.3492 0.0560 -0.0423 -0.0062 227 LYS A C 872 O O . LYS A 111 ? 0.2288 0.3688 0.3698 0.0659 -0.0497 -0.0036 227 LYS A O 873 C CB . LYS A 111 ? 0.2288 0.3447 0.3587 0.0639 -0.0228 -0.0124 227 LYS A CB 874 C CG . LYS A 111 ? 0.2317 0.3695 0.3760 0.0563 -0.0166 -0.0159 227 LYS A CG 875 C CD . LYS A 111 ? 0.2277 0.3767 0.3852 0.0643 -0.0070 -0.0197 227 LYS A CD 876 C CE . LYS A 111 ? 0.3345 0.5054 0.5054 0.0555 0.0000 -0.0211 227 LYS A CE 877 N NZ . LYS A 111 ? 0.3241 0.5081 0.5054 0.0639 0.0108 -0.0242 227 LYS A NZ 878 N N . CYS A 112 ? 0.2157 0.3464 0.3363 0.0439 -0.0439 -0.0080 228 CYS A N 879 C CA . CYS A 112 ? 0.2486 0.3984 0.3805 0.0397 -0.0555 -0.0072 228 CYS A CA 880 C C . CYS A 112 ? 0.2321 0.4103 0.3939 0.0377 -0.0517 -0.0092 228 CYS A C 881 O O . CYS A 112 ? 0.2217 0.4009 0.3858 0.0305 -0.0415 -0.0126 228 CYS A O 882 C CB . CYS A 112 ? 0.2768 0.4149 0.3879 0.0276 -0.0600 -0.0094 228 CYS A CB 883 S SG . CYS A 112 ? 0.3381 0.4966 0.4618 0.0194 -0.0765 -0.0098 228 CYS A SG 884 N N . ASN A 113 ? 0.2261 0.4286 0.4115 0.0441 -0.0599 -0.0062 229 ASN A N 885 C CA . ASN A 113 ? 0.2243 0.4591 0.4419 0.0431 -0.0551 -0.0064 229 ASN A CA 886 C C . ASN A 113 ? 0.1902 0.4478 0.4254 0.0319 -0.0678 -0.0043 229 ASN A C 887 O O . ASN A 113 ? 0.2263 0.5162 0.4931 0.0305 -0.0659 -0.0023 229 ASN A O 888 C CB . ASN A 113 ? 0.2006 0.4514 0.4386 0.0609 -0.0515 -0.0049 229 ASN A CB 889 C CG . ASN A 113 ? 0.2368 0.4637 0.4580 0.0706 -0.0395 -0.0082 229 ASN A CG 890 O OD1 . ASN A 113 ? 0.2669 0.4838 0.4780 0.0643 -0.0278 -0.0118 229 ASN A OD1 891 N ND2 . ASN A 113 ? 0.2385 0.4545 0.4562 0.0857 -0.0441 -0.0066 229 ASN A ND2 892 N N . ASP A 114 ? 0.2243 0.4656 0.4387 0.0236 -0.0806 -0.0047 230 ASP A N 893 C CA . ASP A 114 ? 0.1626 0.4191 0.3884 0.0106 -0.0949 -0.0041 230 ASP A CA 894 C C . ASP A 114 ? 0.2087 0.4717 0.4443 -0.0041 -0.0866 -0.0065 230 ASP A C 895 O O . ASP A 114 ? 0.2134 0.4530 0.4279 -0.0088 -0.0765 -0.0106 230 ASP A O 896 C CB . ASP A 114 ? 0.2133 0.4442 0.4062 0.0052 -0.1090 -0.0059 230 ASP A CB 897 C CG . ASP A 114 ? 0.4188 0.6503 0.6072 0.0164 -0.1232 -0.0009 230 ASP A CG 898 O OD1 . ASP A 114 ? 0.3583 0.6054 0.5673 0.0302 -0.1209 0.0034 230 ASP A OD1 899 O OD2 . ASP A 114 ? 0.3557 0.5705 0.5181 0.0121 -0.1369 -0.0014 230 ASP A OD2 900 N N . LYS A 115 ? 0.2530 0.5487 0.5222 -0.0115 -0.0915 -0.0030 231 LYS A N 901 C CA . LYS A 115 ? 0.3890 0.6886 0.6679 -0.0240 -0.0806 -0.0045 231 LYS A CA 902 C C . LYS A 115 ? 0.2677 0.5467 0.5283 -0.0419 -0.0884 -0.0075 231 LYS A C 903 O O . LYS A 115 ? 0.2838 0.5557 0.5431 -0.0509 -0.0783 -0.0084 231 LYS A O 904 C CB . LYS A 115 ? 0.5439 0.8712 0.8529 -0.0252 -0.0791 -0.0032 231 LYS A CB 905 C CG . LYS A 115 ? 0.7316 1.0663 1.0546 -0.0271 -0.0599 -0.0018 231 LYS A CG 906 C CD . LYS A 115 ? 0.8625 1.2273 1.2163 -0.0284 -0.0583 0.0001 231 LYS A CD 907 C CE . LYS A 115 ? 0.8785 1.2503 1.2420 -0.0309 -0.0388 0.0024 231 LYS A CE 908 N NZ . LYS A 115 ? 0.8410 1.2422 1.2337 -0.0380 -0.0379 0.0052 231 LYS A NZ 909 N N . ASN A 116 ? 0.2455 0.5099 0.4887 -0.0459 -0.1063 -0.0101 232 ASN A N 910 C CA . ASN A 116 ? 0.4021 0.6392 0.6217 -0.0602 -0.1140 -0.0161 232 ASN A CA 911 C C . ASN A 116 ? 0.3056 0.5050 0.4817 -0.0531 -0.1127 -0.0227 232 ASN A C 912 O O . ASN A 116 ? 0.3399 0.5161 0.4909 -0.0603 -0.1235 -0.0288 232 ASN A O 913 C CB . ASN A 116 ? 0.4211 0.6651 0.6457 -0.0708 -0.1314 -0.0171 232 ASN A CB 914 C CG . ASN A 116 ? 0.5689 0.7875 0.7763 -0.0869 -0.1367 -0.0232 232 ASN A CG 915 O OD1 . ASN A 116 ? 0.5825 0.7759 0.7612 -0.0903 -0.1502 -0.0297 232 ASN A OD1 916 N ND2 . ASN A 116 ? 0.4069 0.6295 0.6289 -0.0957 -0.1258 -0.0215 232 ASN A ND2 917 N N . PHE A 117 ? 0.2681 0.4618 0.4354 -0.0389 -0.0991 -0.0216 233 PHE A N 918 C CA . PHE A 117 ? 0.2987 0.4617 0.4291 -0.0318 -0.0953 -0.0256 233 PHE A CA 919 C C . PHE A 117 ? 0.2538 0.3910 0.3635 -0.0386 -0.0875 -0.0322 233 PHE A C 920 O O . PHE A 117 ? 0.2581 0.3972 0.3788 -0.0412 -0.0755 -0.0318 233 PHE A O 921 C CB . PHE A 117 ? 0.2921 0.4566 0.4235 -0.0172 -0.0828 -0.0217 233 PHE A CB 922 C CG . PHE A 117 ? 0.3173 0.4544 0.4150 -0.0107 -0.0786 -0.0234 233 PHE A CG 923 C CD1 . PHE A 117 ? 0.4029 0.5279 0.4766 -0.0098 -0.0906 -0.0236 233 PHE A CD1 924 C CD2 . PHE A 117 ? 0.3665 0.4915 0.4569 -0.0060 -0.0627 -0.0238 233 PHE A CD2 925 C CE1 . PHE A 117 ? 0.4393 0.5417 0.4824 -0.0045 -0.0848 -0.0237 233 PHE A CE1 926 C CE2 . PHE A 117 ? 0.4082 0.5117 0.4715 -0.0013 -0.0582 -0.0239 233 PHE A CE2 927 C CZ . PHE A 117 ? 0.4373 0.5302 0.4771 -0.0006 -0.0682 -0.0235 233 PHE A CZ 928 N N . ASN A 118 ? 0.2541 0.3668 0.3324 -0.0406 -0.0943 -0.0384 234 ASN A N 929 C CA . ASN A 118 ? 0.2679 0.3553 0.3264 -0.0453 -0.0882 -0.0458 234 ASN A CA 930 C C . ASN A 118 ? 0.2801 0.3506 0.3182 -0.0354 -0.0725 -0.0471 234 ASN A C 931 O O . ASN A 118 ? 0.3386 0.3906 0.3636 -0.0368 -0.0656 -0.0527 234 ASN A O 932 C CB . ASN A 118 ? 0.2929 0.3617 0.3283 -0.0531 -0.1037 -0.0537 234 ASN A CB 933 C CG . ASN A 118 ? 0.4197 0.4793 0.4265 -0.0463 -0.1117 -0.0549 234 ASN A CG 934 O OD1 . ASN A 118 ? 0.4357 0.4941 0.4322 -0.0355 -0.1022 -0.0510 234 ASN A OD1 935 N ND2 . ASN A 118 ? 0.4361 0.4881 0.4288 -0.0534 -0.1303 -0.0599 234 ASN A ND2 936 N N . GLY A 119 ? 0.2477 0.3245 0.2847 -0.0255 -0.0677 -0.0416 235 GLY A N 937 C CA . GLY A 119 ? 0.2795 0.3438 0.3021 -0.0177 -0.0534 -0.0409 235 GLY A CA 938 C C . GLY A 119 ? 0.3605 0.4116 0.3537 -0.0120 -0.0550 -0.0405 235 GLY A C 939 O O . GLY A 119 ? 0.3370 0.3827 0.3223 -0.0057 -0.0443 -0.0367 235 GLY A O 940 N N . THR A 120 ? 0.3080 0.3534 0.2839 -0.0152 -0.0687 -0.0437 236 THR A N 941 C CA . THR A 120 ? 0.4460 0.4784 0.3893 -0.0102 -0.0709 -0.0427 236 THR A CA 942 C C . THR A 120 ? 0.5340 0.5743 0.4751 -0.0105 -0.0893 -0.0385 236 THR A C 943 O O . THR A 120 ? 0.5464 0.5989 0.5055 -0.0167 -0.1028 -0.0401 236 THR A O 944 C CB . THR A 120 ? 0.5716 0.5822 0.4825 -0.0120 -0.0691 -0.0527 236 THR A CB 945 O OG1 . THR A 120 ? 0.5481 0.5547 0.4553 -0.0200 -0.0857 -0.0600 236 THR A OG1 946 C CG2 . THR A 120 ? 0.4185 0.4222 0.3347 -0.0111 -0.0528 -0.0572 236 THR A CG2 947 N N . GLY A 121 ? 0.4365 0.4707 0.3566 -0.0041 -0.0903 -0.0321 237 GLY A N 948 C CA . GLY A 121 ? 0.4752 0.5143 0.3889 -0.0030 -0.1089 -0.0272 237 GLY A CA 949 C C . GLY A 121 ? 0.4155 0.4716 0.3562 0.0038 -0.1118 -0.0166 237 GLY A C 950 O O . GLY A 121 ? 0.3743 0.4340 0.3319 0.0083 -0.0980 -0.0131 237 GLY A O 951 N N . PRO A 122 ? 0.4167 0.4825 0.3614 0.0053 -0.1308 -0.0120 238 PRO A N 952 C CA . PRO A 122 ? 0.4708 0.5517 0.4398 0.0142 -0.1360 -0.0021 238 PRO A CA 953 C C . PRO A 122 ? 0.4598 0.5670 0.4748 0.0143 -0.1337 -0.0032 238 PRO A C 954 O O . PRO A 122 ? 0.4408 0.5596 0.4710 0.0052 -0.1372 -0.0094 238 PRO A O 955 C CB . PRO A 122 ? 0.4214 0.5043 0.3779 0.0148 -0.1592 0.0020 238 PRO A CB 956 C CG . PRO A 122 ? 0.4847 0.5646 0.4290 0.0033 -0.1687 -0.0081 238 PRO A CG 957 C CD . PRO A 122 ? 0.4178 0.4785 0.3411 -0.0008 -0.1499 -0.0163 238 PRO A CD 958 N N . CYS A 123 ? 0.3689 0.4842 0.4041 0.0246 -0.1276 0.0030 239 CYS A N 959 C CA . CYS A 123 ? 0.3007 0.4421 0.3774 0.0275 -0.1238 0.0025 239 CYS A CA 960 C C . CYS A 123 ? 0.3031 0.4596 0.3995 0.0400 -0.1350 0.0103 239 CYS A C 961 O O . CYS A 123 ? 0.4000 0.5405 0.4813 0.0495 -0.1358 0.0166 239 CYS A O 962 C CB . CYS A 123 ? 0.3567 0.4919 0.4389 0.0299 -0.1030 0.0002 239 CYS A CB 963 S SG . CYS A 123 ? 0.4098 0.5751 0.5362 0.0327 -0.0945 -0.0016 239 CYS A SG 964 N N . LYS A 124 ? 0.3203 0.5076 0.4515 0.0400 -0.1438 0.0106 240 LYS A N 965 C CA . LYS A 124 ? 0.4101 0.6159 0.5638 0.0528 -0.1566 0.0178 240 LYS A CA 966 C C . LYS A 124 ? 0.4172 0.6371 0.6004 0.0667 -0.1437 0.0187 240 LYS A C 967 O O . LYS A 124 ? 0.5003 0.7205 0.6908 0.0820 -0.1494 0.0243 240 LYS A O 968 C CB . LYS A 124 ? 0.3571 0.5921 0.5350 0.0462 -0.1754 0.0186 240 LYS A CB 969 C CG . LYS A 124 ? 0.6565 0.8761 0.8038 0.0317 -0.1894 0.0154 240 LYS A CG 970 C CD . LYS A 124 ? 0.7720 0.9618 0.8768 0.0368 -0.1986 0.0200 240 LYS A CD 971 C CE . LYS A 124 ? 0.7591 0.9609 0.8746 0.0481 -0.2144 0.0295 240 LYS A CE 972 N NZ . LYS A 124 ? 0.7106 0.8828 0.7818 0.0513 -0.2252 0.0353 240 LYS A NZ 973 N N . ASN A 125 ? 0.2542 0.4837 0.4523 0.0619 -0.1269 0.0129 241 ASN A N 974 C CA . ASN A 125 ? 0.1903 0.4307 0.4108 0.0748 -0.1128 0.0120 241 ASN A CA 975 C C . ASN A 125 ? 0.2694 0.4795 0.4652 0.0755 -0.0964 0.0085 241 ASN A C 976 O O . ASN A 125 ? 0.2714 0.4800 0.4647 0.0660 -0.0836 0.0033 241 ASN A O 977 C CB . ASN A 125 ? 0.2721 0.5480 0.5281 0.0696 -0.1050 0.0096 241 ASN A CB 978 C CG . ASN A 125 ? 0.3902 0.6937 0.6689 0.0657 -0.1167 0.0168 241 ASN A CG 979 O OD1 . ASN A 125 ? 0.3768 0.6819 0.6556 0.0750 -0.1289 0.0226 241 ASN A OD1 980 N ND2 . ASN A 125 ? 0.6397 0.9662 0.9364 0.0517 -0.1131 0.0170 241 ASN A ND2 981 N N . VAL A 126 ? 0.1992 0.3849 0.3774 0.0862 -0.0980 0.0121 242 VAL A N 982 C CA . VAL A 126 ? 0.2227 0.3785 0.3772 0.0853 -0.0852 0.0100 242 VAL A CA 983 C C . VAL A 126 ? 0.2698 0.4204 0.4346 0.1009 -0.0780 0.0089 242 VAL A C 984 O O . VAL A 126 ? 0.2867 0.4424 0.4640 0.1154 -0.0864 0.0125 242 VAL A O 985 C CB . VAL A 126 ? 0.3374 0.4630 0.4573 0.0817 -0.0920 0.0158 242 VAL A CB 986 C CG1 . VAL A 126 ? 0.2897 0.3890 0.3890 0.0774 -0.0784 0.0142 242 VAL A CG1 987 C CG2 . VAL A 126 ? 0.3759 0.5051 0.4822 0.0690 -0.1010 0.0158 242 VAL A CG2 988 N N . SER A 127 ? 0.2564 0.3957 0.4150 0.0983 -0.0632 0.0035 243 SER A N 989 C CA . SER A 127 ? 0.2665 0.3939 0.4279 0.1119 -0.0566 0.0007 243 SER A CA 990 C C . SER A 127 ? 0.2269 0.3193 0.3613 0.1063 -0.0512 0.0008 243 SER A C 991 O O . SER A 127 ? 0.2602 0.3445 0.3788 0.0921 -0.0484 0.0017 243 SER A O 992 C CB . SER A 127 ? 0.2332 0.3843 0.4163 0.1159 -0.0441 -0.0067 243 SER A CB 993 O OG . SER A 127 ? 0.2576 0.4096 0.4336 0.1010 -0.0339 -0.0105 243 SER A OG 994 N N . SER A 128 ? 0.2559 0.3277 0.3862 0.1177 -0.0502 -0.0002 244 SER A N 995 C CA . SER A 128 ? 0.2741 0.3139 0.3826 0.1116 -0.0460 0.0002 244 SER A CA 996 C C . SER A 128 ? 0.2818 0.3182 0.3937 0.1152 -0.0350 -0.0092 244 SER A C 997 O O . SER A 128 ? 0.3250 0.3674 0.4491 0.1300 -0.0335 -0.0145 244 SER A O 998 C CB . SER A 128 ? 0.3490 0.3594 0.4444 0.1188 -0.0563 0.0079 244 SER A CB 999 O OG . SER A 128 ? 0.5273 0.5344 0.6345 0.1375 -0.0597 0.0046 244 SER A OG 1000 N N . VAL A 129 ? 0.2685 0.2957 0.3690 0.1023 -0.0275 -0.0113 245 VAL A N 1001 C CA . VAL A 129 ? 0.3124 0.3344 0.4118 0.1036 -0.0185 -0.0198 245 VAL A CA 1002 C C . VAL A 129 ? 0.3269 0.3190 0.4083 0.0945 -0.0186 -0.0182 245 VAL A C 1003 O O . VAL A 129 ? 0.2990 0.2811 0.3711 0.0848 -0.0223 -0.0103 245 VAL A O 1004 C CB . VAL A 129 ? 0.2677 0.3157 0.3761 0.0958 -0.0089 -0.0243 245 VAL A CB 1005 C CG1 . VAL A 129 ? 0.2935 0.3737 0.4233 0.1032 -0.0082 -0.0252 245 VAL A CG1 1006 C CG2 . VAL A 129 ? 0.2688 0.3175 0.3696 0.0792 -0.0083 -0.0200 245 VAL A CG2 1007 N N . GLN A 130 ? 0.2547 0.2338 0.3313 0.0975 -0.0147 -0.0256 246 GLN A N 1008 C CA . GLN A 130 ? 0.2977 0.2503 0.3604 0.0877 -0.0161 -0.0244 246 GLN A CA 1009 C C . GLN A 130 ? 0.3194 0.2831 0.3814 0.0743 -0.0087 -0.0262 246 GLN A C 1010 O O . GLN A 130 ? 0.3134 0.2641 0.3687 0.0630 -0.0097 -0.0223 246 GLN A O 1011 C CB . GLN A 130 ? 0.3281 0.2552 0.3829 0.0977 -0.0189 -0.0318 246 GLN A CB 1012 C CG . GLN A 130 ? 0.6136 0.5287 0.6700 0.1145 -0.0260 -0.0318 246 GLN A CG 1013 C CD . GLN A 130 ? 0.7528 0.6529 0.8053 0.1106 -0.0355 -0.0193 246 GLN A CD 1014 O OE1 . GLN A 130 ? 0.8875 0.7648 0.9292 0.0989 -0.0395 -0.0130 246 GLN A OE1 1015 N NE2 . GLN A 130 ? 0.7434 0.6575 0.8049 0.1199 -0.0396 -0.0149 246 GLN A NE2 1016 N N . CYS A 131 ? 0.2888 0.2769 0.3592 0.0757 -0.0016 -0.0311 247 CYS A N 1017 C CA . CYS A 131 ? 0.2934 0.2912 0.3634 0.0644 0.0047 -0.0325 247 CYS A CA 1018 C C . CYS A 131 ? 0.2567 0.2831 0.3380 0.0619 0.0095 -0.0320 247 CYS A C 1019 O O . CYS A 131 ? 0.2497 0.2923 0.3413 0.0704 0.0100 -0.0332 247 CYS A O 1020 C CB . CYS A 131 ? 0.3906 0.3801 0.4535 0.0670 0.0080 -0.0405 247 CYS A CB 1021 S SG . CYS A 131 ? 0.4917 0.4448 0.5401 0.0652 0.0002 -0.0421 247 CYS A SG 1022 N N . THR A 132 ? 0.2273 0.2596 0.3081 0.0503 0.0125 -0.0301 248 THR A N 1023 C CA . THR A 132 ? 0.1761 0.2309 0.2660 0.0461 0.0163 -0.0301 248 THR A CA 1024 C C . THR A 132 ? 0.1851 0.2510 0.2786 0.0491 0.0231 -0.0350 248 THR A C 1025 O O . THR A 132 ? 0.1997 0.2544 0.2856 0.0548 0.0248 -0.0393 248 THR A O 1026 C CB . THR A 132 ? 0.2173 0.2710 0.3037 0.0342 0.0176 -0.0276 248 THR A CB 1027 O OG1 . THR A 132 ? 0.1869 0.2320 0.2680 0.0303 0.0207 -0.0297 248 THR A OG1 1028 C CG2 . THR A 132 ? 0.2470 0.2898 0.3268 0.0312 0.0134 -0.0228 248 THR A CG2 1029 N N . HIS A 133 ? 0.2309 0.3177 0.3344 0.0448 0.0267 -0.0340 249 HIS A N 1030 C CA . HIS A 133 ? 0.2456 0.3438 0.3508 0.0449 0.0346 -0.0364 249 HIS A CA 1031 C C . HIS A 133 ? 0.1439 0.2287 0.2369 0.0366 0.0361 -0.0367 249 HIS A C 1032 O O . HIS A 133 ? 0.1748 0.2461 0.2627 0.0308 0.0317 -0.0348 249 HIS A O 1033 C CB . HIS A 133 ? 0.1813 0.3057 0.3026 0.0401 0.0373 -0.0333 249 HIS A CB 1034 C CG . HIS A 133 ? 0.1713 0.2946 0.2929 0.0271 0.0340 -0.0298 249 HIS A CG 1035 N ND1 . HIS A 133 ? 0.2368 0.3554 0.3585 0.0240 0.0266 -0.0281 249 HIS A ND1 1036 C CD2 . HIS A 133 ? 0.2143 0.3383 0.3339 0.0173 0.0371 -0.0280 249 HIS A CD2 1037 C CE1 . HIS A 133 ? 0.2996 0.4157 0.4193 0.0137 0.0255 -0.0268 249 HIS A CE1 1038 N NE2 . HIS A 133 ? 0.2788 0.3976 0.3984 0.0094 0.0313 -0.0264 249 HIS A NE2 1039 N N . GLY A 134 ? 0.2179 0.3074 0.3063 0.0364 0.0424 -0.0384 250 GLY A N 1040 C CA . GLY A 134 ? 0.2274 0.3047 0.3041 0.0293 0.0424 -0.0380 250 GLY A CA 1041 C C . GLY A 134 ? 0.1574 0.2396 0.2396 0.0182 0.0416 -0.0329 250 GLY A C 1042 O O . GLY A 134 ? 0.2184 0.3162 0.3084 0.0140 0.0454 -0.0301 250 GLY A O 1043 N N . ILE A 135 ? 0.1748 0.2434 0.2537 0.0135 0.0367 -0.0318 251 ILE A N 1044 C CA . ILE A 135 ? 0.1658 0.2350 0.2485 0.0051 0.0354 -0.0284 251 ILE A CA 1045 C C . ILE A 135 ? 0.2045 0.2636 0.2799 0.0010 0.0345 -0.0270 251 ILE A C 1046 O O . ILE A 135 ? 0.2311 0.2789 0.3017 0.0022 0.0313 -0.0280 251 ILE A O 1047 C CB . ILE A 135 ? 0.1763 0.2404 0.2619 0.0043 0.0314 -0.0281 251 ILE A CB 1048 C CG1 . ILE A 135 ? 0.1880 0.2609 0.2792 0.0085 0.0301 -0.0285 251 ILE A CG1 1049 C CG2 . ILE A 135 ? 0.2152 0.2775 0.3025 -0.0023 0.0304 -0.0265 251 ILE A CG2 1050 C CD1 . ILE A 135 ? 0.2420 0.3088 0.3313 0.0081 0.0263 -0.0276 251 ILE A CD1 1051 N N . LYS A 136 ? 0.1885 0.2516 0.2639 -0.0045 0.0365 -0.0238 252 LYS A N 1052 C CA . LYS A 136 ? 0.2164 0.2694 0.2852 -0.0082 0.0342 -0.0212 252 LYS A CA 1053 C C . LYS A 136 ? 0.2177 0.2632 0.2922 -0.0106 0.0302 -0.0204 252 LYS A C 1054 O O . LYS A 136 ? 0.2100 0.2580 0.2903 -0.0134 0.0302 -0.0201 252 LYS A O 1055 C CB . LYS A 136 ? 0.2851 0.3430 0.3506 -0.0136 0.0375 -0.0165 252 LYS A CB 1056 C CG . LYS A 136 ? 0.2757 0.3411 0.3320 -0.0105 0.0433 -0.0170 252 LYS A CG 1057 C CD . LYS A 136 ? 0.2845 0.3545 0.3360 -0.0174 0.0474 -0.0101 252 LYS A CD 1058 C CE . LYS A 136 ? 0.4444 0.5217 0.4827 -0.0135 0.0549 -0.0105 252 LYS A CE 1059 N NZ . LYS A 136 ? 0.4279 0.5093 0.4588 -0.0213 0.0596 -0.0019 252 LYS A NZ 1060 N N . PRO A 137 ? 0.2248 0.2380 0.3251 0.0503 -0.0594 -0.0510 253 PRO A N 1061 C CA . PRO A 137 ? 0.1907 0.2053 0.2977 0.0391 -0.0519 -0.0387 253 PRO A CA 1062 C C . PRO A 137 ? 0.2249 0.2507 0.3276 0.0371 -0.0382 -0.0374 253 PRO A C 1063 O O . PRO A 137 ? 0.2153 0.2390 0.3217 0.0345 -0.0385 -0.0337 253 PRO A O 1064 C CB . PRO A 137 ? 0.2547 0.2562 0.3706 0.0359 -0.0646 -0.0341 253 PRO A CB 1065 C CG . PRO A 137 ? 0.2953 0.2899 0.4051 0.0459 -0.0751 -0.0451 253 PRO A CG 1066 C CD . PRO A 137 ? 0.2265 0.2260 0.3274 0.0556 -0.0746 -0.0558 253 PRO A CD 1067 N N . VAL A 138 ? 0.1838 0.2208 0.2795 0.0381 -0.0276 -0.0400 254 VAL A N 1068 C CA . VAL A 138 ? 0.1639 0.2092 0.2543 0.0357 -0.0163 -0.0384 254 VAL A CA 1069 C C . VAL A 138 ? 0.1936 0.2398 0.2884 0.0278 -0.0083 -0.0294 254 VAL A C 1070 O O . VAL A 138 ? 0.2261 0.2749 0.3208 0.0247 -0.0039 -0.0268 254 VAL A O 1071 C CB . VAL A 138 ? 0.2331 0.2903 0.3148 0.0386 -0.0088 -0.0439 254 VAL A CB 1072 C CG1 . VAL A 138 ? 0.2683 0.3308 0.3432 0.0353 0.0003 -0.0414 254 VAL A CG1 1073 C CG2 . VAL A 138 ? 0.2662 0.3262 0.3437 0.0481 -0.0156 -0.0540 254 VAL A CG2 1074 N N . VAL A 139 ? 0.1618 0.2063 0.2602 0.0255 -0.0070 -0.0254 255 VAL A N 1075 C CA . VAL A 139 ? 0.1461 0.1932 0.2490 0.0201 0.0006 -0.0183 255 VAL A CA 1076 C C . VAL A 139 ? 0.2045 0.2557 0.2988 0.0198 0.0098 -0.0192 255 VAL A C 1077 O O . VAL A 139 ? 0.2080 0.2581 0.2983 0.0216 0.0094 -0.0210 255 VAL A O 1078 C CB . VAL A 139 ? 0.2040 0.2490 0.3185 0.0182 -0.0034 -0.0133 255 VAL A CB 1079 C CG1 . VAL A 139 ? 0.1659 0.2170 0.2855 0.0144 0.0056 -0.0071 255 VAL A CG1 1080 C CG2 . VAL A 139 ? 0.2514 0.2906 0.3750 0.0168 -0.0144 -0.0110 255 VAL A CG2 1081 N N . SER A 140 ? 0.1780 0.2322 0.2685 0.0172 0.0168 -0.0177 256 SER A N 1082 C CA . SER A 140 ? 0.1546 0.2100 0.2367 0.0160 0.0236 -0.0182 256 SER A CA 1083 C C . SER A 140 ? 0.1863 0.2419 0.2667 0.0132 0.0299 -0.0153 256 SER A C 1084 O O . SER A 140 ? 0.1464 0.2029 0.2304 0.0119 0.0299 -0.0128 256 SER A O 1085 C CB . SER A 140 ? 0.1413 0.2009 0.2150 0.0166 0.0241 -0.0226 256 SER A CB 1086 O OG . SER A 140 ? 0.2437 0.3070 0.3178 0.0163 0.0240 -0.0241 256 SER A OG 1087 N N . THR A 141 ? 0.1987 0.2521 0.2721 0.0123 0.0342 -0.0155 257 THR A N 1088 C CA . THR A 141 ? 0.2240 0.2758 0.2924 0.0108 0.0390 -0.0146 257 THR A CA 1089 C C . THR A 141 ? 0.2426 0.2927 0.3013 0.0080 0.0399 -0.0165 257 THR A C 1090 O O . THR A 141 ? 0.1955 0.2467 0.2513 0.0069 0.0384 -0.0175 257 THR A O 1091 C CB . THR A 141 ? 0.2332 0.2822 0.3032 0.0129 0.0422 -0.0133 257 THR A CB 1092 O OG1 . THR A 141 ? 0.2153 0.2587 0.2815 0.0138 0.0405 -0.0144 257 THR A OG1 1093 C CG2 . THR A 141 ? 0.2590 0.3133 0.3415 0.0145 0.0417 -0.0102 257 THR A CG2 1094 N N . GLN A 142 ? 0.2083 0.2562 0.2616 0.0063 0.0421 -0.0166 258 GLN A N 1095 C CA . GLN A 142 ? 0.2234 0.2696 0.2689 0.0024 0.0418 -0.0177 258 GLN A CA 1096 C C . GLN A 142 ? 0.2542 0.3096 0.3023 0.0004 0.0397 -0.0190 258 GLN A C 1097 O O . GLN A 142 ? 0.2285 0.2862 0.2752 -0.0016 0.0389 -0.0198 258 GLN A O 1098 C CB . GLN A 142 ? 0.2017 0.2407 0.2414 0.0007 0.0413 -0.0171 258 GLN A CB 1099 C CG . GLN A 142 ? 0.1821 0.2111 0.2182 0.0040 0.0424 -0.0175 258 GLN A CG 1100 C CD . GLN A 142 ? 0.2331 0.2507 0.2609 0.0016 0.0393 -0.0172 258 GLN A CD 1101 O OE1 . GLN A 142 ? 0.2641 0.2824 0.2888 -0.0043 0.0370 -0.0153 258 GLN A OE1 1102 N NE2 . GLN A 142 ? 0.2531 0.2608 0.2775 0.0062 0.0389 -0.0190 258 GLN A NE2 1103 N N . LEU A 143 ? 0.1771 0.2385 0.2285 0.0016 0.0386 -0.0199 259 LEU A N 1104 C CA . LEU A 143 ? 0.1883 0.2613 0.2423 0.0016 0.0373 -0.0224 259 LEU A CA 1105 C C . LEU A 143 ? 0.2004 0.2768 0.2611 0.0074 0.0338 -0.0253 259 LEU A C 1106 O O . LEU A 143 ? 0.2392 0.3115 0.3018 0.0102 0.0322 -0.0250 259 LEU A O 1107 C CB . LEU A 143 ? 0.1573 0.2360 0.2071 -0.0013 0.0388 -0.0217 259 LEU A CB 1108 C CG . LEU A 143 ? 0.2384 0.3115 0.2812 -0.0083 0.0401 -0.0178 259 LEU A CG 1109 C CD1 . LEU A 143 ? 0.2436 0.3223 0.2816 -0.0121 0.0410 -0.0153 259 LEU A CD1 1110 C CD2 . LEU A 143 ? 0.2315 0.3080 0.2750 -0.0127 0.0397 -0.0177 259 LEU A CD2 1111 N N . LEU A 144 ? 0.2038 0.2867 0.2684 0.0092 0.0311 -0.0282 260 LEU A N 1112 C CA . LEU A 144 ? 0.1726 0.2569 0.2429 0.0153 0.0254 -0.0319 260 LEU A CA 1113 C C . LEU A 144 ? 0.2157 0.3116 0.2858 0.0194 0.0251 -0.0372 260 LEU A C 1114 O O . LEU A 144 ? 0.1919 0.3005 0.2619 0.0181 0.0279 -0.0390 260 LEU A O 1115 C CB . LEU A 144 ? 0.2059 0.2895 0.2799 0.0164 0.0210 -0.0329 260 LEU A CB 1116 C CG . LEU A 144 ? 0.2391 0.3124 0.3110 0.0125 0.0216 -0.0274 260 LEU A CG 1117 C CD1 . LEU A 144 ? 0.2558 0.3277 0.3290 0.0131 0.0162 -0.0279 260 LEU A CD1 1118 C CD2 . LEU A 144 ? 0.2421 0.3076 0.3165 0.0129 0.0206 -0.0238 260 LEU A CD2 1119 N N . LEU A 145 ? 0.1924 0.2853 0.2625 0.0242 0.0215 -0.0396 261 LEU A N 1120 C CA . LEU A 145 ? 0.2399 0.3433 0.3063 0.0288 0.0219 -0.0448 261 LEU A CA 1121 C C . LEU A 145 ? 0.2296 0.3345 0.2994 0.0385 0.0140 -0.0528 261 LEU A C 1122 O O . LEU A 145 ? 0.1845 0.2767 0.2587 0.0409 0.0063 -0.0528 261 LEU A O 1123 C CB . LEU A 145 ? 0.2149 0.3121 0.2748 0.0274 0.0232 -0.0420 261 LEU A CB 1124 C CG . LEU A 145 ? 0.2931 0.3844 0.3490 0.0195 0.0285 -0.0348 261 LEU A CG 1125 C CD1 . LEU A 145 ? 0.2054 0.2892 0.2559 0.0198 0.0271 -0.0329 261 LEU A CD1 1126 C CD2 . LEU A 145 ? 0.3250 0.4271 0.3769 0.0137 0.0344 -0.0328 261 LEU A CD2 1127 N N . ASN A 146 ? 0.2019 0.3229 0.2698 0.0440 0.0157 -0.0594 262 ASN A N 1128 C CA . ASN A 146 ? 0.1961 0.3197 0.2652 0.0556 0.0079 -0.0694 262 ASN A CA 1129 C C . ASN A 146 ? 0.3395 0.4549 0.4172 0.0598 -0.0015 -0.0722 262 ASN A C 1130 O O . ASN A 146 ? 0.2599 0.3661 0.3386 0.0682 -0.0120 -0.0784 262 ASN A O 1131 C CB . ASN A 146 ? 0.2166 0.3285 0.2794 0.0600 0.0022 -0.0716 262 ASN A CB 1132 C CG . ASN A 146 ? 0.2804 0.4014 0.3320 0.0586 0.0096 -0.0709 262 ASN A CG 1133 O OD1 . ASN A 146 ? 0.2285 0.3678 0.2772 0.0557 0.0185 -0.0701 262 ASN A OD1 1134 N ND2 . ASN A 146 ? 0.2308 0.3392 0.2763 0.0597 0.0049 -0.0703 262 ASN A ND2 1135 N N . GLY A 147 ? 0.3045 0.4213 0.3872 0.0539 0.0010 -0.0676 263 GLY A N 1136 C CA . GLY A 147 ? 0.2102 0.3183 0.2995 0.0567 -0.0082 -0.0689 263 GLY A CA 1137 C C . GLY A 147 ? 0.2682 0.3924 0.3631 0.0645 -0.0104 -0.0773 263 GLY A C 1138 O O . GLY A 147 ? 0.2336 0.3777 0.3279 0.0691 -0.0047 -0.0832 263 GLY A O 1139 N N . SER A 148 ? 0.2062 0.3227 0.3066 0.0660 -0.0188 -0.0776 264 SER A N 1140 C CA . SER A 148 ? 0.2477 0.3792 0.3557 0.0736 -0.0221 -0.0854 264 SER A CA 1141 C C . SER A 148 ? 0.1947 0.3389 0.3057 0.0647 -0.0137 -0.0799 264 SER A C 1142 O O . SER A 148 ? 0.2295 0.3639 0.3358 0.0538 -0.0090 -0.0704 264 SER A O 1143 C CB . SER A 148 ? 0.3597 0.4743 0.4717 0.0798 -0.0376 -0.0883 264 SER A CB 1144 O OG . SER A 148 ? 0.5731 0.6732 0.6824 0.0873 -0.0476 -0.0932 264 SER A OG 1145 N N . LEU A 149 ? 0.2662 0.4330 0.3856 0.0698 -0.0124 -0.0863 265 LEU A N 1146 C CA . LEU A 149 ? 0.2498 0.4297 0.3739 0.0613 -0.0064 -0.0815 265 LEU A CA 1147 C C . LEU A 149 ? 0.2513 0.4280 0.3833 0.0644 -0.0165 -0.0835 265 LEU A C 1148 O O . LEU A 149 ? 0.2343 0.4088 0.3715 0.0759 -0.0271 -0.0916 265 LEU A O 1149 C CB . LEU A 149 ? 0.3049 0.5153 0.4339 0.0618 0.0032 -0.0847 265 LEU A CB 1150 C CG . LEU A 149 ? 0.2953 0.5096 0.4145 0.0553 0.0141 -0.0799 265 LEU A CG 1151 C CD1 . LEU A 149 ? 0.3333 0.5696 0.4512 0.0550 0.0208 -0.0807 265 LEU A CD1 1152 C CD2 . LEU A 149 ? 0.2089 0.4135 0.3234 0.0411 0.0195 -0.0691 265 LEU A CD2 1153 N N . ALA A 150 ? 0.2064 0.3812 0.3383 0.0544 -0.0146 -0.0765 266 ALA A N 1154 C CA . ALA A 150 ? 0.2614 0.4356 0.4005 0.0563 -0.0241 -0.0779 266 ALA A CA 1155 C C . ALA A 150 ? 0.2527 0.4571 0.4076 0.0650 -0.0245 -0.0873 266 ALA A C 1156 O O . ALA A 150 ? 0.3322 0.5608 0.4916 0.0622 -0.0140 -0.0876 266 ALA A O 1157 C CB . ALA A 150 ? 0.1906 0.3575 0.3245 0.0437 -0.0214 -0.0690 266 ALA A CB 1158 N N . GLU A 151 ? 0.2051 0.4086 0.3684 0.0756 -0.0370 -0.0945 267 GLU A N 1159 C CA . GLU A 151 ? 0.2246 0.4467 0.3942 0.0828 -0.0367 -0.1016 267 GLU A CA 1160 C C . GLU A 151 ? 0.3268 0.5703 0.5080 0.0763 -0.0334 -0.0989 267 GLU A C 1161 O O . GLU A 151 ? 0.2643 0.5304 0.4507 0.0773 -0.0264 -0.1011 267 GLU A O 1162 C CB . GLU A 151 ? 0.2830 0.4899 0.4523 0.0953 -0.0514 -0.1096 267 GLU A CB 1163 C CG . GLU A 151 ? 0.4062 0.5939 0.5648 0.1020 -0.0557 -0.1133 267 GLU A CG 1164 C CD . GLU A 151 ? 0.6474 0.8218 0.8049 0.1142 -0.0702 -0.1226 267 GLU A CD 1165 O OE1 . GLU A 151 ? 0.7484 0.8973 0.8984 0.1174 -0.0804 -0.1231 267 GLU A OE1 1166 O OE2 . GLU A 151 ? 0.6992 0.8887 0.8638 0.1202 -0.0720 -0.1291 267 GLU A OE2 1167 N N . GLU A 152 ? 0.2469 0.4836 0.4322 0.0695 -0.0392 -0.0939 268 GLU A N 1168 C CA . GLU A 152 ? 0.2150 0.4697 0.4116 0.0624 -0.0384 -0.0911 268 GLU A CA 1169 C C . GLU A 152 ? 0.2005 0.4560 0.3926 0.0466 -0.0299 -0.0816 268 GLU A C 1170 O O . GLU A 152 ? 0.2352 0.5087 0.4288 0.0409 -0.0179 -0.0791 268 GLU A O 1171 C CB . GLU A 152 ? 0.3121 0.5557 0.5141 0.0660 -0.0542 -0.0928 268 GLU A CB 1172 C CG . GLU A 152 ? 0.5239 0.7875 0.7397 0.0615 -0.0554 -0.0917 268 GLU A CG 1173 C CD . GLU A 152 ? 0.7268 0.9785 0.9469 0.0674 -0.0719 -0.0946 268 GLU A CD 1174 O OE1 . GLU A 152 ? 0.8018 1.0388 1.0182 0.0608 -0.0809 -0.0900 268 GLU A OE1 1175 O OE2 . GLU A 152 ? 0.7843 1.0404 1.0098 0.0786 -0.0764 -0.1017 268 GLU A OE2 1176 N N . GLU A 153 ? 0.1743 0.4042 0.3552 0.0387 -0.0359 -0.0748 269 GLU A N 1177 C CA . GLU A 153 ? 0.1262 0.3471 0.2964 0.0240 -0.0293 -0.0655 269 GLU A CA 1178 C C . GLU A 153 ? 0.2082 0.4038 0.3587 0.0207 -0.0234 -0.0605 269 GLU A C 1179 O O . GLU A 153 ? 0.2433 0.4234 0.3871 0.0278 -0.0269 -0.0625 269 GLU A O 1180 C CB . GLU A 153 ? 0.2306 0.4385 0.3980 0.0178 -0.0389 -0.0618 269 GLU A CB 1181 C CG . GLU A 153 ? 0.3090 0.5420 0.4978 0.0195 -0.0459 -0.0659 269 GLU A CG 1182 C CD . GLU A 153 ? 0.5640 0.7834 0.7482 0.0111 -0.0552 -0.0613 269 GLU A CD 1183 O OE1 . GLU A 153 ? 0.6587 0.8768 0.8498 0.0168 -0.0679 -0.0649 269 GLU A OE1 1184 O OE2 . GLU A 153 ? 0.5003 0.7089 0.6733 -0.0006 -0.0510 -0.0546 269 GLU A OE2 1185 N N . ILE A 154 ? 0.2431 0.4345 0.3852 0.0097 -0.0156 -0.0538 270 ILE A N 1186 C CA . ILE A 154 ? 0.1985 0.3662 0.3226 0.0061 -0.0106 -0.0489 270 ILE A CA 1187 C C . ILE A 154 ? 0.2040 0.3458 0.3158 0.0069 -0.0183 -0.0467 270 ILE A C 1188 O O . ILE A 154 ? 0.2250 0.3626 0.3364 0.0044 -0.0258 -0.0460 270 ILE A O 1189 C CB . ILE A 154 ? 0.2020 0.3680 0.3195 -0.0054 -0.0037 -0.0427 270 ILE A CB 1190 C CG1 . ILE A 154 ? 0.2425 0.4335 0.3700 -0.0076 0.0044 -0.0429 270 ILE A CG1 1191 C CG2 . ILE A 154 ? 0.1705 0.3116 0.2701 -0.0077 0.0002 -0.0384 270 ILE A CG2 1192 C CD1 . ILE A 154 ? 0.3087 0.4975 0.4306 -0.0200 0.0091 -0.0359 270 ILE A CD1 1193 N N . ILE A 155 ? 0.2231 0.3484 0.3248 0.0100 -0.0169 -0.0451 271 ILE A N 1194 C CA . ILE A 155 ? 0.2862 0.3891 0.3757 0.0100 -0.0232 -0.0417 271 ILE A CA 1195 C C . ILE A 155 ? 0.2941 0.3807 0.3674 0.0040 -0.0161 -0.0356 271 ILE A C 1196 O O . ILE A 155 ? 0.2325 0.3202 0.3046 0.0035 -0.0081 -0.0346 271 ILE A O 1197 C CB . ILE A 155 ? 0.2140 0.3108 0.3062 0.0182 -0.0297 -0.0439 271 ILE A CB 1198 C CG1 . ILE A 155 ? 0.2673 0.3814 0.3763 0.0270 -0.0368 -0.0520 271 ILE A CG1 1199 C CG2 . ILE A 155 ? 0.1978 0.2728 0.2776 0.0166 -0.0372 -0.0386 271 ILE A CG2 1200 C CD1 . ILE A 155 ? 0.2189 0.3361 0.3330 0.0272 -0.0463 -0.0536 271 ILE A CD1 1201 N N . ILE A 156 ? 0.2291 0.3012 0.2896 0.0002 -0.0194 -0.0320 272 ILE A N 1202 C CA . ILE A 156 ? 0.2258 0.2833 0.2701 -0.0035 -0.0130 -0.0273 272 ILE A CA 1203 C C . ILE A 156 ? 0.2544 0.2988 0.2898 -0.0018 -0.0156 -0.0231 272 ILE A C 1204 O O . ILE A 156 ? 0.2735 0.3110 0.3049 -0.0012 -0.0244 -0.0219 272 ILE A O 1205 C CB . ILE A 156 ? 0.2888 0.3385 0.3215 -0.0086 -0.0144 -0.0266 272 ILE A CB 1206 C CG1 . ILE A 156 ? 0.2600 0.3223 0.3026 -0.0125 -0.0135 -0.0292 272 ILE A CG1 1207 C CG2 . ILE A 156 ? 0.2520 0.2878 0.2672 -0.0102 -0.0077 -0.0234 272 ILE A CG2 1208 C CD1 . ILE A 156 ? 0.2636 0.3328 0.3106 -0.0136 -0.0043 -0.0289 272 ILE A CD1 1209 N N . ARG A 157 ? 0.1687 0.2101 0.2016 -0.0016 -0.0086 -0.0200 273 ARG A N 1210 C CA . ARG A 157 ? 0.1862 0.2175 0.2127 -0.0017 -0.0105 -0.0142 273 ARG A CA 1211 C C . ARG A 157 ? 0.2266 0.2515 0.2391 -0.0049 -0.0016 -0.0092 273 ARG A C 1212 O O . ARG A 157 ? 0.3014 0.3302 0.3148 -0.0049 0.0069 -0.0104 273 ARG A O 1213 C CB . ARG A 157 ? 0.2392 0.2741 0.2779 0.0017 -0.0120 -0.0145 273 ARG A CB 1214 C CG . ARG A 157 ? 0.2051 0.2498 0.2582 0.0072 -0.0185 -0.0217 273 ARG A CG 1215 C CD . ARG A 157 ? 0.2041 0.2484 0.2661 0.0117 -0.0224 -0.0228 273 ARG A CD 1216 N NE . ARG A 157 ? 0.2543 0.3104 0.3289 0.0189 -0.0273 -0.0314 273 ARG A NE 1217 C CZ . ARG A 157 ? 0.2993 0.3557 0.3794 0.0240 -0.0383 -0.0356 273 ARG A CZ 1218 N NH1 . ARG A 157 ? 0.2171 0.2603 0.2902 0.0217 -0.0467 -0.0310 273 ARG A NH1 1219 N NH2 . ARG A 157 ? 0.1867 0.2575 0.2790 0.0319 -0.0411 -0.0445 273 ARG A NH2 1220 N N . SER A 158 ? 0.2524 0.2680 0.2516 -0.0071 -0.0039 -0.0038 274 SER A N 1221 C CA . SER A 158 ? 0.2612 0.2735 0.2466 -0.0092 0.0050 0.0011 274 SER A CA 1222 C C . SER A 158 ? 0.2851 0.2898 0.2589 -0.0124 0.0012 0.0093 274 SER A C 1223 O O . SER A 158 ? 0.2979 0.2953 0.2671 -0.0131 -0.0091 0.0101 274 SER A O 1224 C CB . SER A 158 ? 0.3299 0.3394 0.3024 -0.0087 0.0093 -0.0033 274 SER A CB 1225 O OG . SER A 158 ? 0.3037 0.3110 0.2616 -0.0087 0.0178 0.0000 274 SER A OG 1226 N N . GLU A 159 ? 0.2730 0.2803 0.2425 -0.0146 0.0092 0.0160 275 GLU A N 1227 C CA . GLU A 159 ? 0.3163 0.3184 0.2735 -0.0194 0.0072 0.0260 275 GLU A CA 1228 C C . GLU A 159 ? 0.3084 0.3037 0.2423 -0.0195 0.0079 0.0255 275 GLU A C 1229 O O . GLU A 159 ? 0.3273 0.3143 0.2481 -0.0231 0.0014 0.0320 275 GLU A O 1230 C CB . GLU A 159 ? 0.2787 0.2897 0.2388 -0.0224 0.0173 0.0337 275 GLU A CB 1231 C CG . GLU A 159 ? 0.3042 0.3121 0.2545 -0.0295 0.0151 0.0465 275 GLU A CG 1232 C CD . GLU A 159 ? 0.4472 0.4678 0.4051 -0.0337 0.0248 0.0551 275 GLU A CD 1233 O OE1 . GLU A 159 ? 0.5081 0.5397 0.4754 -0.0296 0.0345 0.0500 275 GLU A OE1 1234 O OE2 . GLU A 159 ? 0.5324 0.5519 0.4873 -0.0414 0.0219 0.0674 275 GLU A OE2 1235 N N . ASN A 160 ? 0.3018 0.2989 0.2297 -0.0155 0.0143 0.0176 276 ASN A N 1236 C CA . ASN A 160 ? 0.3237 0.3127 0.2286 -0.0143 0.0140 0.0149 276 ASN A CA 1237 C C . ASN A 160 ? 0.3197 0.3083 0.2251 -0.0099 0.0167 0.0046 276 ASN A C 1238 O O . ASN A 160 ? 0.3339 0.3273 0.2366 -0.0066 0.0268 0.0019 276 ASN A O 1239 C CB . ASN A 160 ? 0.2944 0.2865 0.1806 -0.0153 0.0238 0.0216 276 ASN A CB 1240 C CG . ASN A 160 ? 0.3288 0.3107 0.1870 -0.0138 0.0218 0.0194 276 ASN A CG 1241 O OD1 . ASN A 160 ? 0.3738 0.3460 0.2274 -0.0117 0.0138 0.0118 276 ASN A OD1 1242 N ND2 . ASN A 160 ? 0.4107 0.3957 0.2498 -0.0153 0.0291 0.0264 276 ASN A ND2 1243 N N . LEU A 161 ? 0.3131 0.2962 0.2226 -0.0099 0.0068 -0.0009 277 LEU A N 1244 C CA . LEU A 161 ? 0.3837 0.3654 0.2953 -0.0079 0.0070 -0.0093 277 LEU A CA 1245 C C . LEU A 161 ? 0.3447 0.3176 0.2332 -0.0047 0.0109 -0.0132 277 LEU A C 1246 O O . LEU A 161 ? 0.3716 0.3431 0.2605 -0.0020 0.0143 -0.0190 277 LEU A O 1247 C CB . LEU A 161 ? 0.3688 0.3483 0.2894 -0.0099 -0.0050 -0.0129 277 LEU A CB 1248 C CG . LEU A 161 ? 0.3657 0.3571 0.3122 -0.0106 -0.0071 -0.0139 277 LEU A CG 1249 C CD1 . LEU A 161 ? 0.4534 0.4461 0.4084 -0.0122 -0.0185 -0.0174 277 LEU A CD1 1250 C CD2 . LEU A 161 ? 0.3181 0.3162 0.2741 -0.0098 0.0013 -0.0169 277 LEU A CD2 1251 N N . THR A 162 ? 0.3564 0.3222 0.2233 -0.0046 0.0095 -0.0102 278 THR A N 1252 C CA . THR A 162 ? 0.3411 0.2981 0.1824 -0.0001 0.0127 -0.0149 278 THR A CA 1253 C C . THR A 162 ? 0.4149 0.3813 0.2539 0.0049 0.0273 -0.0153 278 THR A C 1254 O O . THR A 162 ? 0.4794 0.4405 0.3039 0.0111 0.0309 -0.0225 278 THR A O 1255 C CB . THR A 162 ? 0.4073 0.3557 0.2240 -0.0013 0.0079 -0.0109 278 THR A CB 1256 O OG1 . THR A 162 ? 0.5015 0.4427 0.3238 -0.0056 -0.0065 -0.0099 278 THR A OG1 1257 C CG2 . THR A 162 ? 0.5428 0.4799 0.3307 0.0045 0.0089 -0.0180 278 THR A CG2 1258 N N . ASN A 163 ? 0.3867 0.3669 0.2410 0.0026 0.0345 -0.0079 279 ASN A N 1259 C CA . ASN A 163 ? 0.3834 0.3760 0.2407 0.0067 0.0480 -0.0073 279 ASN A CA 1260 C C . ASN A 163 ? 0.3940 0.3903 0.2723 0.0088 0.0495 -0.0124 279 ASN A C 1261 O O . ASN A 163 ? 0.3756 0.3782 0.2752 0.0048 0.0476 -0.0086 279 ASN A O 1262 C CB . ASN A 163 ? 0.4074 0.4131 0.2716 0.0018 0.0538 0.0044 279 ASN A CB 1263 C CG . ASN A 163 ? 0.4314 0.4532 0.2969 0.0058 0.0684 0.0061 279 ASN A CG 1264 O OD1 . ASN A 163 ? 0.4334 0.4572 0.2997 0.0133 0.0738 -0.0023 279 ASN A OD1 1265 N ND2 . ASN A 163 ? 0.4349 0.4686 0.3016 0.0006 0.0740 0.0174 279 ASN A ND2 1266 N N . ASN A 164 ? 0.3808 0.3720 0.2516 0.0155 0.0520 -0.0210 280 ASN A N 1267 C CA . ASN A 164 ? 0.4077 0.3993 0.2953 0.0172 0.0519 -0.0256 280 ASN A CA 1268 C C . ASN A 164 ? 0.3551 0.3627 0.2609 0.0181 0.0611 -0.0212 280 ASN A C 1269 O O . ASN A 164 ? 0.3813 0.3905 0.3034 0.0179 0.0602 -0.0228 280 ASN A O 1270 C CB . ASN A 164 ? 0.4612 0.4403 0.3347 0.0243 0.0503 -0.0357 280 ASN A CB 1271 C CG . ASN A 164 ? 0.5964 0.5813 0.4563 0.0338 0.0607 -0.0391 280 ASN A CG 1272 O OD1 . ASN A 164 ? 0.6409 0.6249 0.4801 0.0365 0.0632 -0.0394 280 ASN A OD1 1273 N ND2 . ASN A 164 ? 0.6766 0.6688 0.5481 0.0393 0.0669 -0.0418 280 ASN A ND2 1274 N N . ALA A 165 ? 0.3556 0.3755 0.2585 0.0184 0.0695 -0.0151 281 ALA A N 1275 C CA . ALA A 165 ? 0.4119 0.4484 0.3333 0.0184 0.0776 -0.0100 281 ALA A CA 1276 C C . ALA A 165 ? 0.3853 0.4253 0.3258 0.0103 0.0724 -0.0023 281 ALA A C 1277 O O . ALA A 165 ? 0.3918 0.4425 0.3503 0.0094 0.0758 0.0013 281 ALA A O 1278 C CB . ALA A 165 ? 0.4590 0.5100 0.3716 0.0206 0.0887 -0.0052 281 ALA A CB 1279 N N . LYS A 166 ? 0.3686 0.3991 0.3053 0.0053 0.0631 -0.0007 282 LYS A N 1280 C CA . LYS A 166 ? 0.2902 0.3222 0.2434 -0.0006 0.0564 0.0048 282 LYS A CA 1281 C C . LYS A 166 ? 0.3493 0.3777 0.3158 -0.0001 0.0505 -0.0011 282 LYS A C 1282 O O . LYS A 166 ? 0.3232 0.3433 0.2832 0.0009 0.0459 -0.0071 282 LYS A O 1283 C CB . LYS A 166 ? 0.2870 0.3122 0.2309 -0.0054 0.0487 0.0099 282 LYS A CB 1284 C CG . LYS A 166 ? 0.3810 0.4115 0.3138 -0.0085 0.0541 0.0191 282 LYS A CG 1285 C CD . LYS A 166 ? 0.4688 0.5132 0.4184 -0.0111 0.0604 0.0264 282 LYS A CD 1286 C CE . LYS A 166 ? 0.6271 0.6804 0.5668 -0.0155 0.0670 0.0371 282 LYS A CE 1287 N NZ . LYS A 166 ? 0.6152 0.6587 0.5464 -0.0228 0.0573 0.0455 282 LYS A NZ 1288 N N . THR A 167 ? 0.2598 0.2949 0.2445 -0.0012 0.0502 0.0012 283 THR A N 1289 C CA . THR A 167 ? 0.2440 0.2783 0.2405 -0.0006 0.0461 -0.0037 283 THR A CA 1290 C C . THR A 167 ? 0.1938 0.2239 0.1915 -0.0029 0.0369 -0.0055 283 THR A C 1291 O O . THR A 167 ? 0.2944 0.3227 0.2914 -0.0050 0.0314 -0.0017 283 THR A O 1292 C CB . THR A 167 ? 0.2928 0.3347 0.3066 -0.0007 0.0471 -0.0008 283 THR A CB 1293 O OG1 . THR A 167 ? 0.3177 0.3660 0.3331 0.0016 0.0554 0.0010 283 THR A OG1 1294 C CG2 . THR A 167 ? 0.3419 0.3840 0.3650 0.0004 0.0439 -0.0059 283 THR A CG2 1295 N N . ILE A 168 ? 0.1781 0.2069 0.1779 -0.0025 0.0345 -0.0110 284 ILE A N 1296 C CA . ILE A 168 ? 0.1890 0.2186 0.1938 -0.0043 0.0266 -0.0134 284 ILE A CA 1297 C C . ILE A 168 ? 0.2192 0.2574 0.2399 -0.0035 0.0254 -0.0149 284 ILE A C 1298 O O . ILE A 168 ? 0.2907 0.3316 0.3153 -0.0029 0.0296 -0.0164 284 ILE A O 1299 C CB . ILE A 168 ? 0.2806 0.3053 0.2780 -0.0059 0.0242 -0.0176 284 ILE A CB 1300 C CG1 . ILE A 168 ? 0.3109 0.3252 0.2897 -0.0055 0.0240 -0.0175 284 ILE A CG1 1301 C CG2 . ILE A 168 ? 0.2716 0.3019 0.2780 -0.0079 0.0166 -0.0197 284 ILE A CG2 1302 C CD1 . ILE A 168 ? 0.2570 0.2632 0.2270 -0.0069 0.0202 -0.0220 284 ILE A CD1 1303 N N . ILE A 169 ? 0.1865 0.2281 0.2151 -0.0027 0.0189 -0.0150 285 ILE A N 1304 C CA . ILE A 169 ? 0.1792 0.2297 0.2210 -0.0004 0.0169 -0.0182 285 ILE A CA 1305 C C . ILE A 169 ? 0.2433 0.3014 0.2899 -0.0006 0.0125 -0.0227 285 ILE A C 1306 O O . ILE A 169 ? 0.2306 0.2877 0.2772 -0.0002 0.0057 -0.0233 285 ILE A O 1307 C CB . ILE A 169 ? 0.2037 0.2534 0.2527 0.0022 0.0113 -0.0167 285 ILE A CB 1308 C CG1 . ILE A 169 ? 0.2803 0.3256 0.3282 0.0011 0.0155 -0.0111 285 ILE A CG1 1309 C CG2 . ILE A 169 ? 0.1982 0.2569 0.2587 0.0065 0.0083 -0.0221 285 ILE A CG2 1310 C CD1 . ILE A 169 ? 0.3263 0.3683 0.3811 0.0019 0.0083 -0.0082 285 ILE A CD1 1311 N N . VAL A 170 ? 0.1940 0.2605 0.2450 -0.0018 0.0161 -0.0251 286 VAL A N 1312 C CA . VAL A 170 ? 0.2183 0.2974 0.2771 -0.0026 0.0132 -0.0285 286 VAL A CA 1313 C C . VAL A 170 ? 0.2764 0.3684 0.3469 0.0029 0.0119 -0.0324 286 VAL A C 1314 O O . VAL A 170 ? 0.2596 0.3537 0.3312 0.0045 0.0160 -0.0327 286 VAL A O 1315 C CB . VAL A 170 ? 0.2790 0.3615 0.3359 -0.0084 0.0175 -0.0277 286 VAL A CB 1316 C CG1 . VAL A 170 ? 0.2885 0.3881 0.3558 -0.0106 0.0150 -0.0299 286 VAL A CG1 1317 C CG2 . VAL A 170 ? 0.2298 0.2970 0.2736 -0.0123 0.0174 -0.0254 286 VAL A CG2 1318 N N . HIS A 171 ? 0.2036 0.3034 0.2820 0.0067 0.0052 -0.0362 287 HIS A N 1319 C CA . HIS A 171 ? 0.1975 0.3097 0.2863 0.0141 0.0028 -0.0419 287 HIS A CA 1320 C C . HIS A 171 ? 0.2182 0.3532 0.3171 0.0141 0.0049 -0.0459 287 HIS A C 1321 O O . HIS A 171 ? 0.2161 0.3590 0.3215 0.0141 0.0001 -0.0478 287 HIS A O 1322 C CB . HIS A 171 ? 0.1920 0.2970 0.2838 0.0204 -0.0075 -0.0443 287 HIS A CB 1323 C CG . HIS A 171 ? 0.2143 0.3251 0.3137 0.0297 -0.0117 -0.0506 287 HIS A CG 1324 N ND1 . HIS A 171 ? 0.1957 0.3006 0.2995 0.0370 -0.0232 -0.0544 287 HIS A ND1 1325 C CD2 . HIS A 171 ? 0.1974 0.3175 0.2992 0.0335 -0.0070 -0.0544 287 HIS A CD2 1326 C CE1 . HIS A 171 ? 0.2552 0.3653 0.3641 0.0455 -0.0257 -0.0611 287 HIS A CE1 1327 N NE2 . HIS A 171 ? 0.2187 0.3386 0.3260 0.0437 -0.0156 -0.0612 287 HIS A NE2 1328 N N . LEU A 172 ? 0.1543 0.3010 0.2544 0.0136 0.0120 -0.0465 288 LEU A N 1329 C CA . LEU A 172 ? 0.1914 0.3628 0.3004 0.0118 0.0160 -0.0485 288 LEU A CA 1330 C C . LEU A 172 ? 0.2101 0.4007 0.3318 0.0221 0.0118 -0.0569 288 LEU A C 1331 O O . LEU A 172 ? 0.2359 0.4197 0.3577 0.0317 0.0066 -0.0621 288 LEU A O 1332 C CB . LEU A 172 ? 0.2596 0.4372 0.3638 0.0081 0.0245 -0.0458 288 LEU A CB 1333 C CG . LEU A 172 ? 0.2346 0.3940 0.3271 -0.0010 0.0279 -0.0383 288 LEU A CG 1334 C CD1 . LEU A 172 ? 0.1751 0.3402 0.2629 -0.0041 0.0346 -0.0357 288 LEU A CD1 1335 C CD2 . LEU A 172 ? 0.2082 0.3654 0.3007 -0.0099 0.0261 -0.0342 288 LEU A CD2 1336 N N . ASN A 173 ? 0.1743 0.3891 0.3076 0.0202 0.0133 -0.0585 289 ASN A N 1337 C CA . ASN A 173 ? 0.2068 0.4452 0.3540 0.0312 0.0105 -0.0676 289 ASN A CA 1338 C C . ASN A 173 ? 0.2706 0.5319 0.4187 0.0316 0.0199 -0.0684 289 ASN A C 1339 O O . ASN A 173 ? 0.2412 0.5153 0.3933 0.0396 0.0189 -0.0739 289 ASN A O 1340 C CB . ASN A 173 ? 0.1951 0.4441 0.3554 0.0306 0.0037 -0.0690 289 ASN A CB 1341 C CG . ASN A 173 ? 0.2385 0.5043 0.4050 0.0177 0.0091 -0.0624 289 ASN A CG 1342 O OD1 . ASN A 173 ? 0.2633 0.5245 0.4209 0.0075 0.0163 -0.0551 289 ASN A OD1 1343 N ND2 . ASN A 173 ? 0.2289 0.5134 0.4114 0.0181 0.0041 -0.0647 289 ASN A ND2 1344 N N . LYS A 174 ? 0.1652 0.4247 0.3048 0.0220 0.0281 -0.0614 290 LYS A N 1345 C CA . LYS A 174 ? 0.1928 0.4641 0.3259 0.0204 0.0360 -0.0591 290 LYS A CA 1346 C C . LYS A 174 ? 0.2129 0.4699 0.3326 0.0155 0.0408 -0.0543 290 LYS A C 1347 O O . LYS A 174 ? 0.2712 0.5179 0.3880 0.0054 0.0421 -0.0477 290 LYS A O 1348 C CB . LYS A 174 ? 0.2872 0.5789 0.4275 0.0099 0.0406 -0.0526 290 LYS A CB 1349 C CG . LYS A 174 ? 0.3910 0.6973 0.5251 0.0077 0.0487 -0.0495 290 LYS A CG 1350 C CD . LYS A 174 ? 0.5682 0.8952 0.7114 -0.0035 0.0525 -0.0422 290 LYS A CD 1351 C CE . LYS A 174 ? 0.6317 0.9748 0.7684 -0.0061 0.0607 -0.0385 290 LYS A CE 1352 N NZ . LYS A 174 ? 0.6064 0.9611 0.7418 0.0089 0.0616 -0.0485 290 LYS A NZ 1353 N N . SER A 175 ? 0.1808 0.4358 0.2917 0.0229 0.0424 -0.0579 291 SER A N 1354 C CA . SER A 175 ? 0.2591 0.5006 0.3580 0.0199 0.0457 -0.0543 291 SER A CA 1355 C C . SER A 175 ? 0.3167 0.5663 0.4094 0.0077 0.0534 -0.0451 291 SER A C 1356 O O . SER A 175 ? 0.2410 0.5093 0.3370 0.0038 0.0569 -0.0425 291 SER A O 1357 C CB . SER A 175 ? 0.2458 0.4825 0.3376 0.0320 0.0433 -0.0618 291 SER A CB 1358 O OG . SER A 175 ? 0.3798 0.6348 0.4695 0.0363 0.0462 -0.0649 291 SER A OG 1359 N N . VAL A 176 ? 0.2071 0.4424 0.2911 0.0014 0.0554 -0.0399 292 VAL A N 1360 C CA . VAL A 176 ? 0.2541 0.4927 0.3294 -0.0099 0.0610 -0.0308 292 VAL A CA 1361 C C . VAL A 176 ? 0.1840 0.4077 0.2455 -0.0060 0.0611 -0.0309 292 VAL A C 1362 O O . VAL A 176 ? 0.2161 0.4148 0.2738 -0.0029 0.0560 -0.0316 292 VAL A O 1363 C CB . VAL A 176 ? 0.2402 0.4620 0.3141 -0.0230 0.0586 -0.0216 292 VAL A CB 1364 C CG1 . VAL A 176 ? 0.2462 0.4678 0.3102 -0.0350 0.0622 -0.0116 292 VAL A CG1 1365 C CG2 . VAL A 176 ? 0.3063 0.5410 0.3937 -0.0273 0.0568 -0.0214 292 VAL A CG2 1366 N N . GLU A 177 ? 0.2009 0.4397 0.2546 -0.0062 0.0664 -0.0299 293 GLU A N 1367 C CA . GLU A 177 ? 0.1843 0.4108 0.2241 -0.0019 0.0657 -0.0307 293 GLU A CA 1368 C C . GLU A 177 ? 0.2673 0.4690 0.2974 -0.0119 0.0634 -0.0210 293 GLU A C 1369 O O . GLU A 177 ? 0.3126 0.5148 0.3418 -0.0244 0.0651 -0.0118 293 GLU A O 1370 C CB . GLU A 177 ? 0.2386 0.4851 0.2696 0.0009 0.0709 -0.0318 293 GLU A CB 1371 C CG . GLU A 177 ? 0.4152 0.6717 0.4506 0.0154 0.0683 -0.0433 293 GLU A CG 1372 C CD . GLU A 177 ? 0.5344 0.8042 0.5574 0.0199 0.0719 -0.0453 293 GLU A CD 1373 O OE1 . GLU A 177 ? 0.3843 0.6582 0.3962 0.0102 0.0771 -0.0363 293 GLU A OE1 1374 O OE2 . GLU A 177 ? 0.5722 0.8475 0.5956 0.0332 0.0688 -0.0558 293 GLU A OE2 1375 N N . ILE A 178 ? 0.2458 0.4254 0.2697 -0.0061 0.0584 -0.0231 294 ILE A N 1376 C CA . ILE A 178 ? 0.1797 0.3370 0.1943 -0.0129 0.0555 -0.0154 294 ILE A CA 1377 C C . ILE A 178 ? 0.2604 0.4125 0.2622 -0.0081 0.0540 -0.0164 294 ILE A C 1378 O O . ILE A 178 ? 0.2857 0.4334 0.2884 0.0026 0.0503 -0.0241 294 ILE A O 1379 C CB . ILE A 178 ? 0.2645 0.3986 0.2852 -0.0120 0.0503 -0.0155 294 ILE A CB 1380 C CG1 . ILE A 178 ? 0.3075 0.4200 0.3195 -0.0168 0.0468 -0.0091 294 ILE A CG1 1381 C CG2 . ILE A 178 ? 0.2119 0.3413 0.2395 -0.0005 0.0465 -0.0239 294 ILE A CG2 1382 C CD1 . ILE A 178 ? 0.3821 0.4754 0.3995 -0.0159 0.0432 -0.0091 294 ILE A CD1 1383 N N . ASN A 179 ? 0.2525 0.4043 0.2418 -0.0167 0.0558 -0.0081 295 ASN A N 1384 C CA . ASN A 179 ? 0.3197 0.4697 0.2938 -0.0135 0.0548 -0.0081 295 ASN A CA 1385 C C . ASN A 179 ? 0.2742 0.3965 0.2407 -0.0163 0.0476 -0.0026 295 ASN A C 1386 O O . ASN A 179 ? 0.3205 0.4345 0.2800 -0.0270 0.0468 0.0071 295 ASN A O 1387 C CB . ASN A 179 ? 0.3619 0.5345 0.3253 -0.0215 0.0622 -0.0018 295 ASN A CB 1388 C CG . ASN A 179 ? 0.2805 0.4584 0.2268 -0.0157 0.0628 -0.0042 295 ASN A CG 1389 O OD1 . ASN A 179 ? 0.3151 0.4739 0.2553 -0.0082 0.0557 -0.0082 295 ASN A OD1 1390 N ND2 . ASN A 179 ? 0.3765 0.5817 0.3147 -0.0191 0.0713 -0.0018 295 ASN A ND2 1391 N N . CYS A 180 ? 0.3026 0.4106 0.2714 -0.0067 0.0415 -0.0087 296 CYS A N 1392 C CA . CYS A 180 ? 0.2723 0.3558 0.2384 -0.0076 0.0341 -0.0048 296 CYS A CA 1393 C C . CYS A 180 ? 0.3059 0.3828 0.2576 -0.0038 0.0292 -0.0049 296 CYS A C 1394 O O . CYS A 180 ? 0.2694 0.3526 0.2190 0.0051 0.0279 -0.0126 296 CYS A O 1395 C CB . CYS A 180 ? 0.2724 0.3447 0.2542 -0.0012 0.0302 -0.0098 296 CYS A CB 1396 S SG . CYS A 180 ? 0.3434 0.4212 0.3392 -0.0049 0.0349 -0.0099 296 CYS A SG 1397 N N . THR A 181 ? 0.3021 0.3640 0.2430 -0.0102 0.0250 0.0032 297 THR A N 1398 C CA . THR A 181 ? 0.3399 0.3945 0.2641 -0.0082 0.0196 0.0046 297 THR A CA 1399 C C . THR A 181 ? 0.3768 0.4060 0.2992 -0.0093 0.0097 0.0095 297 THR A C 1400 O O . THR A 181 ? 0.3408 0.3591 0.2638 -0.0167 0.0082 0.0165 297 THR A O 1401 C CB . THR A 181 ? 0.3658 0.4340 0.2706 -0.0165 0.0253 0.0117 297 THR A CB 1402 O OG1 . THR A 181 ? 0.3775 0.4729 0.2853 -0.0144 0.0349 0.0066 297 THR A OG1 1403 C CG2 . THR A 181 ? 0.4277 0.4885 0.3120 -0.0137 0.0196 0.0128 297 THR A CG2 1404 N N . ARG A 182 ? 0.3670 0.3865 0.2878 -0.0012 0.0018 0.0051 298 ARG A N 1405 C CA . ARG A 182 ? 0.3219 0.3199 0.2367 -0.0017 -0.0086 0.0099 298 ARG A CA 1406 C C . ARG A 182 ? 0.3623 0.3605 0.2520 -0.0034 -0.0110 0.0132 298 ARG A C 1407 O O . ARG A 182 ? 0.3866 0.3883 0.2707 0.0044 -0.0138 0.0066 298 ARG A O 1408 C CB . ARG A 182 ? 0.3199 0.3086 0.2510 0.0080 -0.0165 0.0033 298 ARG A CB 1409 C CG . ARG A 182 ? 0.3495 0.3178 0.2847 0.0085 -0.0266 0.0073 298 ARG A CG 1410 C CD . ARG A 182 ? 0.3750 0.3300 0.2891 0.0067 -0.0356 0.0124 298 ARG A CD 1411 N NE . ARG A 182 ? 0.3674 0.3259 0.2724 0.0129 -0.0397 0.0072 298 ARG A NE 1412 C CZ . ARG A 182 ? 0.3874 0.3367 0.3005 0.0204 -0.0504 0.0028 298 ARG A CZ 1413 N NH1 . ARG A 182 ? 0.3319 0.2713 0.2640 0.0228 -0.0567 0.0034 298 ARG A NH1 1414 N NH2 . ARG A 182 ? 0.3958 0.3466 0.2984 0.0258 -0.0551 -0.0024 298 ARG A NH2 1415 N N . PRO A 183 ? 0.3991 0.3927 0.2725 -0.0141 -0.0106 0.0239 299 PRO A N 1416 C CA . PRO A 183 ? 0.4311 0.4281 0.2776 -0.0185 -0.0106 0.0295 299 PRO A CA 1417 C C . PRO A 183 ? 0.5593 0.5384 0.3939 -0.0120 -0.0231 0.0282 299 PRO A C 1418 O O . PRO A 183 ? 0.4281 0.3891 0.2755 -0.0070 -0.0331 0.0261 299 PRO A O 1419 C CB . PRO A 183 ? 0.5722 0.5622 0.4087 -0.0331 -0.0103 0.0433 299 PRO A CB 1420 C CG . PRO A 183 ? 0.5847 0.5560 0.4398 -0.0328 -0.0166 0.0435 299 PRO A CG 1421 C CD . PRO A 183 ? 0.3807 0.3631 0.2596 -0.0229 -0.0116 0.0317 299 PRO A CD 1422 N N . SER A 184 ? 0.6504 0.6365 0.4605 -0.0118 -0.0222 0.0290 300 SER A N 1423 C CA . SER A 184 ? 0.7742 0.7438 0.5684 -0.0062 -0.0346 0.0280 300 SER A CA 1424 C C . SER A 184 ? 0.7981 0.7469 0.5753 -0.0164 -0.0431 0.0416 300 SER A C 1425 O O . SER A 184 ? 0.8192 0.7651 0.5997 -0.0269 -0.0402 0.0508 300 SER A O 1426 C CB . SER A 184 ? 0.8206 0.8051 0.5925 -0.0003 -0.0309 0.0221 300 SER A CB 1427 O OG . SER A 184 ? 0.9007 0.8667 0.6578 0.0059 -0.0447 0.0201 300 SER A OG 1428 N N . ASN A 185 ? 1.0390 0.9718 0.7974 -0.0132 -0.0549 0.0429 301 ASN A N 1429 C CA . ASN A 185 ? 1.1258 1.0357 0.8658 -0.0219 -0.0657 0.0558 301 ASN A CA 1430 C C . ASN A 185 ? 1.1102 1.0284 0.8276 -0.0374 -0.0575 0.0698 301 ASN A C 1431 O O . ASN A 185 ? 1.1225 1.0211 0.8293 -0.0475 -0.0658 0.0824 301 ASN A O 1432 C CB . ASN A 185 ? 1.1704 1.0641 0.8913 -0.0151 -0.0797 0.0539 301 ASN A CB 1433 C CG . ASN A 185 ? 1.2142 1.0998 0.9592 -0.0014 -0.0894 0.0416 301 ASN A CG 1434 O OD1 . ASN A 185 ? 1.2152 1.0965 0.9893 0.0010 -0.0910 0.0390 301 ASN A OD1 1435 N ND2 . ASN A 185 ? 1.1978 1.0822 0.9306 0.0075 -0.0960 0.0341 301 ASN A ND2 1436 N N . GLY A 192 ? 0.9450 0.7287 0.7763 -0.0103 -0.1314 0.0641 324 GLY A N 1437 C CA . GLY A 192 ? 0.8530 0.6646 0.6924 -0.0125 -0.1126 0.0594 324 GLY A CA 1438 C C . GLY A 192 ? 0.7600 0.5855 0.6322 -0.0013 -0.1065 0.0473 324 GLY A C 1439 O O . GLY A 192 ? 0.6312 0.4587 0.5182 0.0090 -0.1120 0.0404 324 GLY A O 1440 N N . ASP A 193 ? 0.6796 0.5150 0.5629 -0.0040 -0.0956 0.0456 325 ASP A N 1441 C CA . ASP A 193 ? 0.5956 0.4453 0.5077 0.0052 -0.0884 0.0354 325 ASP A CA 1442 C C . ASP A 193 ? 0.5290 0.4032 0.4470 0.0068 -0.0767 0.0297 325 ASP A C 1443 O O . ASP A 193 ? 0.4680 0.3561 0.3794 0.0001 -0.0652 0.0310 325 ASP A O 1444 C CB . ASP A 193 ? 0.5656 0.4139 0.4845 0.0019 -0.0827 0.0355 325 ASP A CB 1445 C CG . ASP A 193 ? 0.6481 0.5058 0.5947 0.0126 -0.0784 0.0258 325 ASP A CG 1446 O OD1 . ASP A 193 ? 0.5160 0.3886 0.4782 0.0197 -0.0751 0.0197 325 ASP A OD1 1447 O OD2 . ASP A 193 ? 0.5616 0.4116 0.5136 0.0137 -0.0786 0.0245 325 ASP A OD2 1448 N N . ILE A 194 ? 0.4008 0.2799 0.3323 0.0158 -0.0808 0.0234 326 ILE A N 1449 C CA . ILE A 194 ? 0.3598 0.2578 0.2962 0.0182 -0.0733 0.0176 326 ILE A CA 1450 C C . ILE A 194 ? 0.3174 0.2327 0.2736 0.0194 -0.0609 0.0124 326 ILE A C 1451 O O . ILE A 194 ? 0.3545 0.2849 0.3137 0.0204 -0.0541 0.0081 326 ILE A O 1452 C CB . ILE A 194 ? 0.4638 0.3599 0.4105 0.0266 -0.0837 0.0129 326 ILE A CB 1453 C CG1 . ILE A 194 ? 0.4496 0.3475 0.4266 0.0339 -0.0867 0.0088 326 ILE A CG1 1454 C CG2 . ILE A 194 ? 0.5553 0.4330 0.4809 0.0259 -0.0973 0.0178 326 ILE A CG2 1455 C CD1 . ILE A 194 ? 0.4635 0.3629 0.4557 0.0410 -0.0967 0.0047 326 ILE A CD1 1456 N N . ARG A 195 ? 0.3509 0.2630 0.3193 0.0200 -0.0589 0.0125 327 ARG A N 1457 C CA . ARG A 195 ? 0.3586 0.2855 0.3441 0.0212 -0.0478 0.0080 327 ARG A CA 1458 C C . ARG A 195 ? 0.3793 0.3076 0.3546 0.0132 -0.0395 0.0114 327 ARG A C 1459 O O . ARG A 195 ? 0.3505 0.2897 0.3367 0.0133 -0.0307 0.0082 327 ARG A O 1460 C CB . ARG A 195 ? 0.3067 0.2331 0.3154 0.0291 -0.0503 0.0041 327 ARG A CB 1461 C CG . ARG A 195 ? 0.3287 0.2602 0.3540 0.0362 -0.0567 0.0008 327 ARG A CG 1462 C CD . ARG A 195 ? 0.3189 0.2533 0.3681 0.0440 -0.0586 -0.0023 327 ARG A CD 1463 N NE . ARG A 195 ? 0.3589 0.2981 0.4251 0.0495 -0.0668 -0.0040 327 ARG A NE 1464 C CZ . ARG A 195 ? 0.4034 0.3298 0.4667 0.0527 -0.0801 -0.0027 327 ARG A CZ 1465 N NH1 . ARG A 195 ? 0.3650 0.2722 0.4077 0.0507 -0.0868 0.0009 327 ARG A NH1 1466 N NH2 . ARG A 195 ? 0.3382 0.2706 0.4194 0.0573 -0.0880 -0.0043 327 ARG A NH2 1467 N N . LYS A 196 ? 0.3718 0.2890 0.3261 0.0054 -0.0431 0.0185 328 LYS A N 1468 C CA . LYS A 196 ? 0.3489 0.2672 0.2937 -0.0041 -0.0369 0.0232 328 LYS A CA 1469 C C . LYS A 196 ? 0.3107 0.2492 0.2486 -0.0094 -0.0265 0.0234 328 LYS A C 1470 O O . LYS A 196 ? 0.3552 0.2984 0.2806 -0.0100 -0.0273 0.0247 328 LYS A O 1471 C CB . LYS A 196 ? 0.4261 0.3236 0.3521 -0.0119 -0.0461 0.0325 328 LYS A CB 1472 C CG . LYS A 196 ? 0.4750 0.3703 0.3938 -0.0227 -0.0425 0.0383 328 LYS A CG 1473 C CD . LYS A 196 ? 0.6380 0.5090 0.5390 -0.0309 -0.0543 0.0483 328 LYS A CD 1474 C CE . LYS A 196 ? 0.8599 0.7246 0.7572 -0.0412 -0.0537 0.0536 328 LYS A CE 1475 N NZ . LYS A 196 ? 0.9546 0.8144 0.8688 -0.0329 -0.0536 0.0450 328 LYS A NZ 1476 N N . ALA A 197 ? 0.3022 0.2528 0.2476 -0.0122 -0.0173 0.0216 329 ALA A N 1477 C CA . ALA A 197 ? 0.2971 0.2690 0.2394 -0.0156 -0.0075 0.0205 329 ALA A CA 1478 C C . ALA A 197 ? 0.2948 0.2731 0.2378 -0.0241 -0.0010 0.0238 329 ALA A C 1479 O O . ALA A 197 ? 0.3323 0.2965 0.2771 -0.0272 -0.0048 0.0265 329 ALA A O 1480 C CB . ALA A 197 ? 0.2874 0.2723 0.2446 -0.0063 -0.0037 0.0114 329 ALA A CB 1481 N N . TYR A 198 ? 0.2897 0.2891 0.2316 -0.0273 0.0078 0.0229 330 TYR A N 1482 C CA . TYR A 198 ? 0.3536 0.3621 0.2983 -0.0356 0.0136 0.0259 330 TYR A CA 1483 C C . TYR A 198 ? 0.3044 0.3385 0.2567 -0.0333 0.0230 0.0203 330 TYR A C 1484 O O . TYR A 198 ? 0.3253 0.3711 0.2753 -0.0271 0.0253 0.0157 330 TYR A O 1485 C CB . TYR A 198 ? 0.3599 0.3644 0.2889 -0.0491 0.0116 0.0375 330 TYR A CB 1486 C CG . TYR A 198 ? 0.3971 0.4134 0.3104 -0.0522 0.0140 0.0417 330 TYR A CG 1487 C CD1 . TYR A 198 ? 0.5040 0.5482 0.4158 -0.0555 0.0241 0.0418 330 TYR A CD1 1488 C CD2 . TYR A 198 ? 0.5023 0.5026 0.4017 -0.0510 0.0061 0.0453 330 TYR A CD2 1489 C CE1 . TYR A 198 ? 0.5677 0.6247 0.4634 -0.0572 0.0273 0.0449 330 TYR A CE1 1490 C CE2 . TYR A 198 ? 0.6181 0.6288 0.5001 -0.0535 0.0083 0.0491 330 TYR A CE2 1491 C CZ . TYR A 198 ? 0.6621 0.7017 0.5417 -0.0564 0.0195 0.0487 330 TYR A CZ 1492 O OH . TYR A 198 ? 0.7529 0.8049 0.6136 -0.0578 0.0226 0.0518 330 TYR A OH 1493 N N . CYS A 199 ? 0.2797 0.3211 0.2407 -0.0375 0.0271 0.0203 331 CYS A N 1494 C CA . CYS A 199 ? 0.3401 0.4057 0.3090 -0.0359 0.0350 0.0155 331 CYS A CA 1495 C C . CYS A 199 ? 0.4148 0.4943 0.3813 -0.0483 0.0393 0.0227 331 CYS A C 1496 O O . CYS A 199 ? 0.3985 0.4657 0.3644 -0.0570 0.0356 0.0289 331 CYS A O 1497 C CB . CYS A 199 ? 0.3488 0.4132 0.3331 -0.0288 0.0356 0.0080 331 CYS A CB 1498 S SG . CYS A 199 ? 0.3828 0.4405 0.3744 -0.0153 0.0323 -0.0003 331 CYS A SG 1499 N N . GLU A 200 ? 0.3416 0.4473 0.3074 -0.0487 0.0465 0.0217 332 GLU A N 1500 C CA . GLU A 200 ? 0.2852 0.4103 0.2517 -0.0606 0.0516 0.0288 332 GLU A CA 1501 C C . GLU A 200 ? 0.3136 0.4608 0.2962 -0.0567 0.0571 0.0218 332 GLU A C 1502 O O . GLU A 200 ? 0.3071 0.4662 0.2947 -0.0448 0.0601 0.0120 332 GLU A O 1503 C CB . GLU A 200 ? 0.3426 0.4853 0.2952 -0.0656 0.0566 0.0347 332 GLU A CB 1504 C CG . GLU A 200 ? 0.4329 0.5539 0.3677 -0.0728 0.0501 0.0444 332 GLU A CG 1505 C CD . GLU A 200 ? 0.6420 0.7810 0.5603 -0.0775 0.0554 0.0505 332 GLU A CD 1506 O OE1 . GLU A 200 ? 0.6225 0.7831 0.5399 -0.0676 0.0622 0.0422 332 GLU A OE1 1507 O OE2 . GLU A 200 ? 0.7314 0.8622 0.6364 -0.0909 0.0523 0.0637 332 GLU A OE2 1508 N N . ILE A 201 ? 0.3022 0.4528 0.2927 -0.0665 0.0569 0.0267 333 ILE A N 1509 C CA . ILE A 201 ? 0.2269 0.3971 0.2332 -0.0639 0.0605 0.0210 333 ILE A CA 1510 C C . ILE A 201 ? 0.2764 0.4668 0.2875 -0.0785 0.0635 0.0300 333 ILE A C 1511 O O . ILE A 201 ? 0.3148 0.4916 0.3202 -0.0917 0.0589 0.0405 333 ILE A O 1512 C CB . ILE A 201 ? 0.2739 0.4236 0.2882 -0.0594 0.0547 0.0159 333 ILE A CB 1513 C CG1 . ILE A 201 ? 0.3694 0.5021 0.3815 -0.0464 0.0521 0.0082 333 ILE A CG1 1514 C CG2 . ILE A 201 ? 0.3159 0.4841 0.3453 -0.0573 0.0569 0.0107 333 ILE A CG2 1515 C CD1 . ILE A 201 ? 0.4259 0.5287 0.4335 -0.0469 0.0455 0.0102 333 ILE A CD1 1516 N N . ASN A 202 ? 0.2793 0.5025 0.3018 -0.0760 0.0705 0.0261 334 ASN A N 1517 C CA . ASN A 202 ? 0.2756 0.5168 0.3064 -0.0872 0.0716 0.0333 334 ASN A CA 1518 C C . ASN A 202 ? 0.3025 0.5320 0.3431 -0.0959 0.0653 0.0362 334 ASN A C 1519 O O . ASN A 202 ? 0.3108 0.5412 0.3625 -0.0879 0.0639 0.0276 334 ASN A O 1520 C CB . ASN A 202 ? 0.2622 0.5309 0.3035 -0.0767 0.0766 0.0252 334 ASN A CB 1521 C CG . ASN A 202 ? 0.3309 0.6194 0.3798 -0.0871 0.0781 0.0330 334 ASN A CG 1522 O OD1 . ASN A 202 ? 0.3250 0.6076 0.3801 -0.0995 0.0734 0.0406 334 ASN A OD1 1523 N ND2 . ASN A 202 ? 0.5295 0.8418 0.5779 -0.0820 0.0844 0.0309 334 ASN A ND2 1524 N N . GLY A 203 ? 0.3060 0.5217 0.3409 -0.1118 0.0599 0.0482 335 GLY A N 1525 C CA . GLY A 203 ? 0.2851 0.4817 0.3254 -0.1192 0.0510 0.0506 335 GLY A CA 1526 C C . GLY A 203 ? 0.3187 0.5375 0.3771 -0.1214 0.0513 0.0487 335 GLY A C 1527 O O . GLY A 203 ? 0.3255 0.5331 0.3906 -0.1211 0.0452 0.0449 335 GLY A O 1528 N N . THR A 204 ? 0.2873 0.5327 0.3518 -0.1208 0.0567 0.0502 336 THR A N 1529 C CA . THR A 204 ? 0.3155 0.5819 0.3976 -0.1208 0.0565 0.0479 336 THR A CA 1530 C C . THR A 204 ? 0.3307 0.6048 0.4229 -0.1049 0.0583 0.0342 336 THR A C 1531 O O . THR A 204 ? 0.3868 0.6615 0.4910 -0.1056 0.0533 0.0313 336 THR A O 1532 C CB . THR A 204 ? 0.4680 0.7631 0.5541 -0.1232 0.0629 0.0523 336 THR A CB 1533 O OG1 . THR A 204 ? 0.5085 0.7959 0.5844 -0.1387 0.0604 0.0660 336 THR A OG1 1534 C CG2 . THR A 204 ? 0.5068 0.8237 0.6127 -0.1242 0.0621 0.0507 336 THR A CG2 1535 N N . LYS A 205 ? 0.3089 0.5873 0.3956 -0.0909 0.0639 0.0260 337 LYS A N 1536 C CA . LYS A 205 ? 0.3259 0.6080 0.4202 -0.0751 0.0641 0.0131 337 LYS A CA 1537 C C . LYS A 205 ? 0.2796 0.5395 0.3736 -0.0745 0.0585 0.0097 337 LYS A C 1538 O O . LYS A 205 ? 0.3202 0.5825 0.4250 -0.0696 0.0549 0.0035 337 LYS A O 1539 C CB . LYS A 205 ? 0.3292 0.6157 0.4154 -0.0611 0.0692 0.0055 337 LYS A CB 1540 C CG . LYS A 205 ? 0.3728 0.6842 0.4594 -0.0586 0.0751 0.0058 337 LYS A CG 1541 C CD . LYS A 205 ? 0.4527 0.7655 0.5299 -0.0442 0.0783 -0.0030 337 LYS A CD 1542 C CE . LYS A 205 ? 0.6010 0.9386 0.6759 -0.0422 0.0846 -0.0026 337 LYS A CE 1543 N NZ . LYS A 205 ? 0.5945 0.9561 0.6860 -0.0398 0.0855 -0.0058 337 LYS A NZ 1544 N N . TRP A 206 ? 0.2051 0.4389 0.2846 -0.0779 0.0565 0.0135 338 TRP A N 1545 C CA . TRP A 206 ? 0.2446 0.4451 0.3176 -0.0721 0.0496 0.0093 338 TRP A CA 1546 C C . TRP A 206 ? 0.2757 0.4644 0.3527 -0.0802 0.0418 0.0120 338 TRP A C 1547 O O . TRP A 206 ? 0.2522 0.4312 0.3320 -0.0731 0.0378 0.0055 338 TRP A O 1548 C CB . TRP A 206 ? 0.2250 0.3986 0.2815 -0.0721 0.0481 0.0124 338 TRP A CB 1549 C CG . TRP A 206 ? 0.2578 0.4004 0.3082 -0.0673 0.0418 0.0089 338 TRP A CG 1550 C CD1 . TRP A 206 ? 0.2572 0.3754 0.2999 -0.0743 0.0350 0.0133 338 TRP A CD1 1551 C CD2 . TRP A 206 ? 0.2679 0.4016 0.3191 -0.0544 0.0416 0.0004 338 TRP A CD2 1552 N NE1 . TRP A 206 ? 0.3103 0.4074 0.3486 -0.0654 0.0320 0.0073 338 TRP A NE1 1553 C CE2 . TRP A 206 ? 0.2674 0.3744 0.3112 -0.0542 0.0363 0.0003 338 TRP A CE2 1554 C CE3 . TRP A 206 ? 0.3303 0.4758 0.3874 -0.0431 0.0447 -0.0069 338 TRP A CE3 1555 C CZ2 . TRP A 206 ? 0.3433 0.4382 0.3859 -0.0441 0.0356 -0.0057 338 TRP A CZ2 1556 C CZ3 . TRP A 206 ? 0.3928 0.5232 0.4489 -0.0342 0.0423 -0.0122 338 TRP A CZ3 1557 C CH2 . TRP A 206 ? 0.3377 0.4446 0.3868 -0.0353 0.0386 -0.0110 338 TRP A CH2 1558 N N . ASN A 207 ? 0.2575 0.4457 0.3337 -0.0953 0.0388 0.0219 339 ASN A N 1559 C CA . ASN A 207 ? 0.2959 0.4704 0.3745 -0.1039 0.0294 0.0247 339 ASN A CA 1560 C C . ASN A 207 ? 0.2868 0.4839 0.3830 -0.1028 0.0284 0.0207 339 ASN A C 1561 O O . ASN A 207 ? 0.2772 0.4594 0.3740 -0.1029 0.0203 0.0180 339 ASN A O 1562 C CB . ASN A 207 ? 0.3479 0.5169 0.4227 -0.1217 0.0248 0.0371 339 ASN A CB 1563 C CG . ASN A 207 ? 0.4428 0.5791 0.4989 -0.1223 0.0209 0.0402 339 ASN A CG 1564 O OD1 . ASN A 207 ? 0.4468 0.5571 0.4936 -0.1120 0.0176 0.0332 339 ASN A OD1 1565 N ND2 . ASN A 207 ? 0.4457 0.5841 0.4963 -0.1343 0.0211 0.0510 339 ASN A ND2 1566 N N . LYS A 208 ? 0.2258 0.4591 0.3355 -0.1010 0.0362 0.0197 340 LYS A N 1567 C CA . LYS A 208 ? 0.3048 0.5629 0.4334 -0.0977 0.0352 0.0148 340 LYS A CA 1568 C C . LYS A 208 ? 0.3355 0.5805 0.4624 -0.0815 0.0326 0.0033 340 LYS A C 1569 O O . LYS A 208 ? 0.2642 0.5059 0.3979 -0.0801 0.0255 -0.0001 340 LYS A O 1570 C CB . LYS A 208 ? 0.3348 0.6237 0.4721 -0.0931 0.0431 0.0146 340 LYS A CB 1571 C CG . LYS A 208 ? 0.5429 0.8537 0.6989 -0.0879 0.0410 0.0095 340 LYS A CG 1572 C CD . LYS A 208 ? 0.6487 0.9871 0.8111 -0.0843 0.0487 0.0101 340 LYS A CD 1573 C CE . LYS A 208 ? 0.7607 1.1214 0.9431 -0.0787 0.0463 0.0049 340 LYS A CE 1574 N NZ . LYS A 208 ? 0.7724 1.1294 0.9579 -0.0626 0.0432 -0.0075 340 LYS A NZ 1575 N N . VAL A 209 ? 0.2603 0.4971 0.3775 -0.0701 0.0374 -0.0019 341 VAL A N 1576 C CA . VAL A 209 ? 0.2137 0.4362 0.3281 -0.0562 0.0347 -0.0110 341 VAL A CA 1577 C C . VAL A 209 ? 0.2140 0.4025 0.3164 -0.0578 0.0274 -0.0103 341 VAL A C 1578 O O . VAL A 209 ? 0.2333 0.4142 0.3373 -0.0523 0.0220 -0.0150 341 VAL A O 1579 C CB . VAL A 209 ? 0.2635 0.4835 0.3704 -0.0454 0.0404 -0.0155 341 VAL A CB 1580 C CG1 . VAL A 209 ? 0.2219 0.4198 0.3230 -0.0345 0.0362 -0.0218 341 VAL A CG1 1581 C CG2 . VAL A 209 ? 0.3250 0.5785 0.4430 -0.0391 0.0464 -0.0200 341 VAL A CG2 1582 N N . LEU A 210 ? 0.2334 0.4017 0.3231 -0.0648 0.0267 -0.0046 342 LEU A N 1583 C CA . LEU A 210 ? 0.2707 0.4076 0.3474 -0.0649 0.0204 -0.0050 342 LEU A CA 1584 C C . LEU A 210 ? 0.3221 0.4556 0.4026 -0.0716 0.0118 -0.0041 342 LEU A C 1585 O O . LEU A 210 ? 0.2795 0.3938 0.3519 -0.0673 0.0065 -0.0079 342 LEU A O 1586 C CB . LEU A 210 ? 0.3677 0.4846 0.4310 -0.0701 0.0204 0.0001 342 LEU A CB 1587 C CG . LEU A 210 ? 0.4763 0.5626 0.5249 -0.0640 0.0172 -0.0032 342 LEU A CG 1588 C CD1 . LEU A 210 ? 0.3505 0.4371 0.3990 -0.0512 0.0215 -0.0094 342 LEU A CD1 1589 C CD2 . LEU A 210 ? 0.4361 0.5050 0.4736 -0.0673 0.0167 0.0010 342 LEU A CD2 1590 N N . LYS A 211 ? 0.2269 0.3800 0.3194 -0.0825 0.0103 0.0012 343 LYS A N 1591 C CA . LYS A 211 ? 0.2838 0.4373 0.3833 -0.0898 0.0009 0.0024 343 LYS A CA 1592 C C . LYS A 211 ? 0.3041 0.4670 0.4123 -0.0800 -0.0013 -0.0051 343 LYS A C 1593 O O . LYS A 211 ? 0.2322 0.3800 0.3362 -0.0799 -0.0102 -0.0073 343 LYS A O 1594 C CB . LYS A 211 ? 0.3046 0.4836 0.4194 -0.1040 0.0007 0.0106 343 LYS A CB 1595 C CG . LYS A 211 ? 0.4285 0.6091 0.5530 -0.1134 -0.0104 0.0128 343 LYS A CG 1596 C CD . LYS A 211 ? 0.5508 0.6933 0.6578 -0.1194 -0.0215 0.0148 343 LYS A CD 1597 C CE . LYS A 211 ? 0.7066 0.8492 0.8227 -0.1300 -0.0345 0.0174 343 LYS A CE 1598 N NZ . LYS A 211 ? 0.6942 0.8441 0.8177 -0.1209 -0.0381 0.0097 343 LYS A NZ 1599 N N . GLN A 212 ? 0.2173 0.4035 0.3361 -0.0713 0.0057 -0.0092 344 GLN A N 1600 C CA . GLN A 212 ? 0.2042 0.3980 0.3310 -0.0609 0.0025 -0.0165 344 GLN A CA 1601 C C . GLN A 212 ? 0.2212 0.3857 0.3314 -0.0520 -0.0003 -0.0206 344 GLN A C 1602 O O . GLN A 212 ? 0.2089 0.3669 0.3190 -0.0478 -0.0074 -0.0241 344 GLN A O 1603 C CB . GLN A 212 ? 0.1653 0.3886 0.3058 -0.0523 0.0098 -0.0209 344 GLN A CB 1604 C CG . GLN A 212 ? 0.2232 0.4834 0.3839 -0.0591 0.0126 -0.0181 344 GLN A CG 1605 C CD . GLN A 212 ? 0.3664 0.6558 0.5378 -0.0485 0.0206 -0.0239 344 GLN A CD 1606 O OE1 . GLN A 212 ? 0.4632 0.7445 0.6241 -0.0405 0.0260 -0.0270 344 GLN A OE1 1607 N NE2 . GLN A 212 ? 0.4182 0.7380 0.6087 -0.0471 0.0206 -0.0257 344 GLN A NE2 1608 N N . VAL A 213 ? 0.1871 0.3350 0.2834 -0.0496 0.0052 -0.0197 345 VAL A N 1609 C CA . VAL A 213 ? 0.2319 0.3547 0.3128 -0.0425 0.0040 -0.0223 345 VAL A CA 1610 C C . VAL A 213 ? 0.2077 0.3083 0.2762 -0.0469 -0.0035 -0.0214 345 VAL A C 1611 O O . VAL A 213 ? 0.2318 0.3192 0.2918 -0.0417 -0.0074 -0.0241 345 VAL A O 1612 C CB . VAL A 213 ? 0.2690 0.3815 0.3401 -0.0395 0.0114 -0.0212 345 VAL A CB 1613 C CG1 . VAL A 213 ? 0.2522 0.3412 0.3086 -0.0337 0.0107 -0.0228 345 VAL A CG1 1614 C CG2 . VAL A 213 ? 0.1916 0.3224 0.2720 -0.0331 0.0173 -0.0235 345 VAL A CG2 1615 N N . THR A 214 ? 0.2440 0.3396 0.3103 -0.0568 -0.0064 -0.0173 346 THR A N 1616 C CA . THR A 214 ? 0.3329 0.4060 0.3865 -0.0609 -0.0154 -0.0174 346 THR A CA 1617 C C . THR A 214 ? 0.2756 0.3540 0.3357 -0.0615 -0.0243 -0.0195 346 THR A C 1618 O O . THR A 214 ? 0.3086 0.3674 0.3547 -0.0587 -0.0307 -0.0222 346 THR A O 1619 C CB . THR A 214 ? 0.4423 0.5084 0.4941 -0.0725 -0.0195 -0.0122 346 THR A CB 1620 O OG1 . THR A 214 ? 0.5896 0.6818 0.6610 -0.0819 -0.0204 -0.0076 346 THR A OG1 1621 C CG2 . THR A 214 ? 0.3592 0.4159 0.4024 -0.0716 -0.0128 -0.0101 346 THR A CG2 1622 N N . GLU A 215 ? 0.2531 0.3589 0.3342 -0.0644 -0.0247 -0.0185 347 GLU A N 1623 C CA . GLU A 215 ? 0.2626 0.3768 0.3537 -0.0646 -0.0340 -0.0207 347 GLU A CA 1624 C C . GLU A 215 ? 0.2729 0.3808 0.3584 -0.0530 -0.0353 -0.0258 347 GLU A C 1625 O O . GLU A 215 ? 0.2688 0.3674 0.3500 -0.0519 -0.0450 -0.0276 347 GLU A O 1626 C CB . GLU A 215 ? 0.2780 0.4275 0.3955 -0.0695 -0.0331 -0.0188 347 GLU A CB 1627 C CG . GLU A 215 ? 0.3795 0.5365 0.5039 -0.0841 -0.0344 -0.0117 347 GLU A CG 1628 C CD . GLU A 215 ? 0.6678 0.8046 0.7853 -0.0929 -0.0480 -0.0098 347 GLU A CD 1629 O OE1 . GLU A 215 ? 0.7004 0.8410 0.8253 -0.0918 -0.0573 -0.0125 347 GLU A OE1 1630 O OE2 . GLU A 215 ? 0.7736 0.8890 0.8776 -0.1003 -0.0506 -0.0060 347 GLU A OE2 1631 N N . LYS A 216 ? 0.2275 0.3391 0.3123 -0.0448 -0.0266 -0.0274 348 LYS A N 1632 C CA . LYS A 216 ? 0.2075 0.3109 0.2861 -0.0350 -0.0284 -0.0307 348 LYS A CA 1633 C C . LYS A 216 ? 0.2428 0.3172 0.2972 -0.0338 -0.0298 -0.0300 348 LYS A C 1634 O O . LYS A 216 ? 0.2719 0.3357 0.3179 -0.0303 -0.0365 -0.0311 348 LYS A O 1635 C CB . LYS A 216 ? 0.2205 0.3341 0.3051 -0.0275 -0.0201 -0.0323 348 LYS A CB 1636 C CG . LYS A 216 ? 0.4332 0.5753 0.5399 -0.0238 -0.0203 -0.0357 348 LYS A CG 1637 C CD . LYS A 216 ? 0.4433 0.5909 0.5592 -0.0209 -0.0315 -0.0387 348 LYS A CD 1638 C CE . LYS A 216 ? 0.3048 0.4344 0.4105 -0.0128 -0.0373 -0.0406 348 LYS A CE 1639 N NZ . LYS A 216 ? 0.3823 0.5179 0.4982 -0.0090 -0.0495 -0.0438 348 LYS A NZ 1640 N N . LEU A 217 ? 0.2540 0.3165 0.2967 -0.0362 -0.0237 -0.0283 349 LEU A N 1641 C CA . LEU A 217 ? 0.3001 0.3380 0.3198 -0.0340 -0.0236 -0.0285 349 LEU A CA 1642 C C . LEU A 217 ? 0.3142 0.3382 0.3229 -0.0374 -0.0344 -0.0297 349 LEU A C 1643 O O . LEU A 217 ? 0.3221 0.3295 0.3123 -0.0336 -0.0368 -0.0309 349 LEU A O 1644 C CB . LEU A 217 ? 0.2417 0.2712 0.2537 -0.0351 -0.0163 -0.0275 349 LEU A CB 1645 C CG . LEU A 217 ? 0.2552 0.2924 0.2723 -0.0303 -0.0061 -0.0266 349 LEU A CG 1646 C CD1 . LEU A 217 ? 0.3144 0.3441 0.3260 -0.0321 -0.0010 -0.0255 349 LEU A CD1 1647 C CD2 . LEU A 217 ? 0.2420 0.2721 0.2500 -0.0232 -0.0033 -0.0268 349 LEU A CD2 1648 N N . LYS A 218 ? 0.2929 0.3246 0.3131 -0.0452 -0.0413 -0.0290 350 LYS A N 1649 C CA . LYS A 218 ? 0.3210 0.3403 0.3335 -0.0494 -0.0539 -0.0302 350 LYS A CA 1650 C C . LYS A 218 ? 0.3583 0.3774 0.3691 -0.0446 -0.0611 -0.0319 350 LYS A C 1651 O O . LYS A 218 ? 0.3574 0.3573 0.3496 -0.0437 -0.0691 -0.0336 350 LYS A O 1652 C CB . LYS A 218 ? 0.3616 0.3945 0.3924 -0.0599 -0.0604 -0.0278 350 LYS A CB 1653 C CG . LYS A 218 ? 0.3945 0.4117 0.4161 -0.0675 -0.0629 -0.0260 350 LYS A CG 1654 C CD . LYS A 218 ? 0.3992 0.4287 0.4388 -0.0800 -0.0721 -0.0220 350 LYS A CD 1655 C CE . LYS A 218 ? 0.5272 0.5345 0.5549 -0.0882 -0.0790 -0.0201 350 LYS A CE 1656 N NZ . LYS A 218 ? 0.6819 0.6843 0.7037 -0.0871 -0.0687 -0.0183 350 LYS A NZ 1657 N N . GLU A 219 ? 0.3123 0.3517 0.3415 -0.0411 -0.0591 -0.0319 351 GLU A N 1658 C CA . GLU A 219 ? 0.3124 0.3513 0.3419 -0.0361 -0.0674 -0.0332 351 GLU A CA 1659 C C . GLU A 219 ? 0.3698 0.3879 0.3748 -0.0303 -0.0652 -0.0326 351 GLU A C 1660 O O . GLU A 219 ? 0.3843 0.3921 0.3791 -0.0281 -0.0743 -0.0326 351 GLU A O 1661 C CB . GLU A 219 ? 0.3515 0.4156 0.4056 -0.0317 -0.0657 -0.0344 351 GLU A CB 1662 C CG . GLU A 219 ? 0.4010 0.4915 0.4811 -0.0370 -0.0670 -0.0348 351 GLU A CG 1663 C CD . GLU A 219 ? 0.5429 0.6595 0.6458 -0.0301 -0.0648 -0.0378 351 GLU A CD 1664 O OE1 . GLU A 219 ? 0.5273 0.6378 0.6253 -0.0215 -0.0640 -0.0395 351 GLU A OE1 1665 O OE2 . GLU A 219 ? 0.5756 0.7191 0.7012 -0.0333 -0.0643 -0.0384 351 GLU A OE2 1666 N N . HIS A 220 ? 0.3017 0.3148 0.2978 -0.0281 -0.0535 -0.0313 352 HIS A N 1667 C CA . HIS A 220 ? 0.3388 0.3371 0.3142 -0.0233 -0.0492 -0.0296 352 HIS A CA 1668 C C . HIS A 220 ? 0.3350 0.3134 0.2848 -0.0238 -0.0481 -0.0306 352 HIS A C 1669 O O . HIS A 220 ? 0.3431 0.3098 0.2728 -0.0203 -0.0459 -0.0292 352 HIS A O 1670 C CB . HIS A 220 ? 0.2939 0.3005 0.2764 -0.0199 -0.0375 -0.0276 352 HIS A CB 1671 C CG . HIS A 220 ? 0.3019 0.3233 0.3037 -0.0169 -0.0397 -0.0275 352 HIS A CG 1672 N ND1 . HIS A 220 ? 0.4084 0.4244 0.4060 -0.0131 -0.0436 -0.0251 352 HIS A ND1 1673 C CD2 . HIS A 220 ? 0.3047 0.3457 0.3292 -0.0165 -0.0390 -0.0297 352 HIS A CD2 1674 C CE1 . HIS A 220 ? 0.4757 0.5053 0.4928 -0.0097 -0.0465 -0.0269 352 HIS A CE1 1675 N NE2 . HIS A 220 ? 0.3335 0.3797 0.3670 -0.0110 -0.0431 -0.0302 352 HIS A NE2 1676 N N . PHE A 221 ? 0.2960 0.2708 0.2460 -0.0279 -0.0499 -0.0330 353 PHE A N 1677 C CA . PHE A 221 ? 0.3266 0.2811 0.2521 -0.0267 -0.0502 -0.0358 353 PHE A CA 1678 C C . PHE A 221 ? 0.3451 0.2871 0.2634 -0.0313 -0.0644 -0.0388 353 PHE A C 1679 O O . PHE A 221 ? 0.3637 0.2926 0.2724 -0.0330 -0.0669 -0.0418 353 PHE A O 1680 C CB . PHE A 221 ? 0.3121 0.2661 0.2384 -0.0260 -0.0403 -0.0366 353 PHE A CB 1681 C CG . PHE A 221 ? 0.3597 0.3198 0.2852 -0.0203 -0.0273 -0.0344 353 PHE A CG 1682 C CD1 . PHE A 221 ? 0.3990 0.3484 0.3027 -0.0143 -0.0217 -0.0354 353 PHE A CD1 1683 C CD2 . PHE A 221 ? 0.3180 0.2956 0.2644 -0.0208 -0.0209 -0.0315 353 PHE A CD2 1684 C CE1 . PHE A 221 ? 0.4215 0.3788 0.3270 -0.0102 -0.0101 -0.0325 353 PHE A CE1 1685 C CE2 . PHE A 221 ? 0.3242 0.3064 0.2708 -0.0163 -0.0107 -0.0292 353 PHE A CE2 1686 C CZ . PHE A 221 ? 0.3433 0.3160 0.2707 -0.0117 -0.0053 -0.0292 353 PHE A CZ 1687 N N . ASN A 222 ? 0.3152 0.2601 0.2384 -0.0331 -0.0750 -0.0382 354 ASN A N 1688 C CA . ASN A 222 ? 0.3372 0.2687 0.2517 -0.0370 -0.0904 -0.0409 354 ASN A CA 1689 C C . ASN A 222 ? 0.3381 0.2704 0.2650 -0.0452 -0.0965 -0.0417 354 ASN A C 1690 O O . ASN A 222 ? 0.3618 0.2746 0.2734 -0.0477 -0.1073 -0.0449 354 ASN A O 1691 C CB . ASN A 222 ? 0.4040 0.3104 0.2829 -0.0316 -0.0927 -0.0443 354 ASN A CB 1692 C CG . ASN A 222 ? 0.4395 0.3329 0.3061 -0.0330 -0.1093 -0.0461 354 ASN A CG 1693 O OD1 . ASN A 222 ? 0.4078 0.3121 0.2904 -0.0354 -0.1172 -0.0437 354 ASN A OD1 1694 N ND2 . ASN A 222 ? 0.4192 0.2888 0.2569 -0.0306 -0.1156 -0.0511 354 ASN A ND2 1695 N N . ASN A 223 ? 0.3146 0.2686 0.2679 -0.0497 -0.0901 -0.0385 355 ASN A N 1696 C CA . ASN A 223 ? 0.3140 0.2727 0.2818 -0.0594 -0.0946 -0.0368 355 ASN A CA 1697 C C . ASN A 223 ? 0.3297 0.2662 0.2795 -0.0603 -0.0941 -0.0387 355 ASN A C 1698 O O . ASN A 223 ? 0.3441 0.2741 0.2981 -0.0692 -0.1037 -0.0376 355 ASN A O 1699 C CB . ASN A 223 ? 0.3249 0.2862 0.3036 -0.0673 -0.1110 -0.0363 355 ASN A CB 1700 C CG . ASN A 223 ? 0.5468 0.5369 0.5526 -0.0678 -0.1116 -0.0343 355 ASN A CG 1701 O OD1 . ASN A 223 ? 0.3697 0.3831 0.3944 -0.0666 -0.1004 -0.0321 355 ASN A OD1 1702 N ND2 . ASN A 223 ? 0.6706 0.6587 0.6779 -0.0685 -0.1254 -0.0357 355 ASN A ND2 1703 N N . LYS A 224 ? 0.3319 0.2572 0.2627 -0.0512 -0.0839 -0.0413 357 LYS A N 1704 C CA . LYS A 224 ? 0.3457 0.2519 0.2614 -0.0497 -0.0828 -0.0441 357 LYS A CA 1705 C C . LYS A 224 ? 0.3286 0.2481 0.2646 -0.0565 -0.0771 -0.0392 357 LYS A C 1706 O O . LYS A 224 ? 0.3199 0.2647 0.2779 -0.0592 -0.0699 -0.0347 357 LYS A O 1707 C CB . LYS A 224 ? 0.3508 0.2471 0.2444 -0.0375 -0.0719 -0.0482 357 LYS A CB 1708 C CG . LYS A 224 ? 0.3846 0.2649 0.2522 -0.0310 -0.0774 -0.0529 357 LYS A CG 1709 C CD . LYS A 224 ? 0.4772 0.3512 0.3236 -0.0195 -0.0653 -0.0563 357 LYS A CD 1710 C CE . LYS A 224 ? 0.4740 0.3316 0.3085 -0.0152 -0.0648 -0.0620 357 LYS A CE 1711 N NZ . LYS A 224 ? 0.5062 0.3586 0.3184 -0.0027 -0.0542 -0.0668 357 LYS A NZ 1712 N N . THR A 225 ? 0.3438 0.2454 0.2711 -0.0589 -0.0813 -0.0404 358 THR A N 1713 C CA . THR A 225 ? 0.3717 0.2822 0.3144 -0.0661 -0.0772 -0.0349 358 THR A CA 1714 C C . THR A 225 ? 0.3494 0.2691 0.2930 -0.0577 -0.0611 -0.0347 358 THR A C 1715 O O . THR A 225 ? 0.3870 0.2933 0.3126 -0.0471 -0.0562 -0.0400 358 THR A O 1716 C CB . THR A 225 ? 0.4511 0.3352 0.3826 -0.0713 -0.0892 -0.0358 358 THR A CB 1717 O OG1 . THR A 225 ? 0.4893 0.3641 0.4208 -0.0800 -0.1059 -0.0356 358 THR A OG1 1718 C CG2 . THR A 225 ? 0.4237 0.3165 0.3703 -0.0804 -0.0860 -0.0283 358 THR A CG2 1719 N N . ILE A 226 ? 0.2969 0.2409 0.2616 -0.0624 -0.0531 -0.0289 359 ILE A N 1720 C CA . ILE A 226 ? 0.3129 0.2676 0.2810 -0.0552 -0.0391 -0.0284 359 ILE A CA 1721 C C . ILE A 226 ? 0.2989 0.2480 0.2679 -0.0586 -0.0370 -0.0254 359 ILE A C 1722 O O . ILE A 226 ? 0.3430 0.3000 0.3241 -0.0695 -0.0405 -0.0194 359 ILE A O 1723 C CB . ILE A 226 ? 0.3268 0.3107 0.3155 -0.0560 -0.0319 -0.0251 359 ILE A CB 1724 C CG1 . ILE A 226 ? 0.3424 0.3307 0.3313 -0.0534 -0.0365 -0.0274 359 ILE A CG1 1725 C CG2 . ILE A 226 ? 0.2973 0.2893 0.2878 -0.0483 -0.0193 -0.0251 359 ILE A CG2 1726 C CD1 . ILE A 226 ? 0.2713 0.2450 0.2406 -0.0433 -0.0340 -0.0318 359 ILE A CD1 1727 N N . ILE A 227 ? 0.2776 0.2139 0.2340 -0.0493 -0.0316 -0.0291 360 ILE A N 1728 C CA . ILE A 227 ? 0.3426 0.2698 0.2977 -0.0507 -0.0313 -0.0271 360 ILE A CA 1729 C C . ILE A 227 ? 0.3827 0.3203 0.3417 -0.0424 -0.0185 -0.0273 360 ILE A C 1730 O O . ILE A 227 ? 0.3649 0.3043 0.3183 -0.0325 -0.0118 -0.0315 360 ILE A O 1731 C CB . ILE A 227 ? 0.3910 0.2872 0.3261 -0.0465 -0.0408 -0.0329 360 ILE A CB 1732 C CG1 . ILE A 227 ? 0.4400 0.3225 0.3700 -0.0548 -0.0557 -0.0332 360 ILE A CG1 1733 C CG2 . ILE A 227 ? 0.4500 0.3345 0.3840 -0.0479 -0.0426 -0.0306 360 ILE A CG2 1734 C CD1 . ILE A 227 ? 0.6283 0.4776 0.5375 -0.0504 -0.0676 -0.0398 360 ILE A CD1 1735 N N . PHE A 228 ? 0.3609 0.3055 0.3290 -0.0473 -0.0158 -0.0220 361 PHE A N 1736 C CA . PHE A 228 ? 0.3978 0.3494 0.3691 -0.0400 -0.0060 -0.0221 361 PHE A CA 1737 C C . PHE A 228 ? 0.4213 0.3521 0.3822 -0.0358 -0.0093 -0.0240 361 PHE A C 1738 O O . PHE A 228 ? 0.4121 0.3267 0.3678 -0.0426 -0.0191 -0.0219 361 PHE A O 1739 C CB . PHE A 228 ? 0.3271 0.3009 0.3139 -0.0461 -0.0004 -0.0159 361 PHE A CB 1740 C CG . PHE A 228 ? 0.2567 0.2525 0.2550 -0.0463 0.0038 -0.0158 361 PHE A CG 1741 C CD1 . PHE A 228 ? 0.3080 0.3113 0.3081 -0.0371 0.0106 -0.0190 361 PHE A CD1 1742 C CD2 . PHE A 228 ? 0.3690 0.3783 0.3772 -0.0557 0.0001 -0.0123 361 PHE A CD2 1743 C CE1 . PHE A 228 ? 0.3674 0.3880 0.3775 -0.0367 0.0124 -0.0193 361 PHE A CE1 1744 C CE2 . PHE A 228 ? 0.4431 0.4725 0.4627 -0.0542 0.0029 -0.0133 361 PHE A CE2 1745 C CZ . PHE A 228 ? 0.3911 0.4245 0.4108 -0.0443 0.0084 -0.0171 361 PHE A CZ 1746 N N . GLN A 229 ? 0.4402 0.3716 0.3993 -0.0248 -0.0019 -0.0277 362 GLN A N 1747 C CA . GLN A 229 ? 0.4167 0.3314 0.3685 -0.0185 -0.0044 -0.0305 362 GLN A CA 1748 C C . GLN A 229 ? 0.4358 0.3637 0.3964 -0.0118 0.0052 -0.0298 362 GLN A C 1749 O O . GLN A 229 ? 0.3077 0.2534 0.2760 -0.0091 0.0137 -0.0295 362 GLN A O 1750 C CB . GLN A 229 ? 0.4891 0.3859 0.4253 -0.0083 -0.0079 -0.0393 362 GLN A CB 1751 C CG . GLN A 229 ? 0.5634 0.4380 0.4876 -0.0137 -0.0217 -0.0412 362 GLN A CG 1752 C CD . GLN A 229 ? 0.6299 0.4867 0.5527 -0.0204 -0.0323 -0.0374 362 GLN A CD 1753 O OE1 . GLN A 229 ? 0.6533 0.4928 0.5684 -0.0120 -0.0364 -0.0421 362 GLN A OE1 1754 N NE2 . GLN A 229 ? 0.6602 0.5221 0.5910 -0.0355 -0.0370 -0.0284 362 GLN A NE2 1755 N N . PRO A 230 ? 0.4488 0.3667 0.4086 -0.0095 0.0025 -0.0292 363 PRO A N 1756 C CA . PRO A 230 ? 0.3976 0.3261 0.3658 -0.0025 0.0099 -0.0291 363 PRO A CA 1757 C C . PRO A 230 ? 0.3637 0.2960 0.3305 0.0101 0.0165 -0.0358 363 PRO A C 1758 O O . PRO A 230 ? 0.4908 0.4112 0.4461 0.0154 0.0135 -0.0418 363 PRO A O 1759 C CB . PRO A 230 ? 0.4461 0.3574 0.4105 -0.0024 0.0021 -0.0279 363 PRO A CB 1760 C CG . PRO A 230 ? 0.4852 0.3828 0.4427 -0.0143 -0.0080 -0.0235 363 PRO A CG 1761 C CD . PRO A 230 ? 0.4886 0.3844 0.4405 -0.0147 -0.0093 -0.0275 363 PRO A CD 1762 N N . PRO A 231 ? 0.3904 0.3395 0.3683 0.0145 0.0249 -0.0346 364 PRO A N 1763 C CA . PRO A 231 ? 0.4754 0.4329 0.4547 0.0248 0.0324 -0.0389 364 PRO A CA 1764 C C . PRO A 231 ? 0.5492 0.4931 0.5202 0.0356 0.0295 -0.0462 364 PRO A C 1765 O O . PRO A 231 ? 0.5397 0.4704 0.5101 0.0366 0.0225 -0.0467 364 PRO A O 1766 C CB . PRO A 231 ? 0.4511 0.4249 0.4459 0.0255 0.0381 -0.0349 364 PRO A CB 1767 C CG . PRO A 231 ? 0.3668 0.3450 0.3664 0.0154 0.0358 -0.0292 364 PRO A CG 1768 C CD . PRO A 231 ? 0.3424 0.3045 0.3324 0.0093 0.0275 -0.0287 364 PRO A CD 1769 N N . SER A 232 ? 0.6806 0.6275 0.6446 0.0439 0.0344 -0.0518 365 SER A N 1770 C CA . SER A 232 ? 0.8383 0.7737 0.7929 0.0564 0.0321 -0.0608 365 SER A CA 1771 C C . SER A 232 ? 0.8085 0.7521 0.7759 0.0652 0.0352 -0.0621 365 SER A C 1772 O O . SER A 232 ? 0.8637 0.7920 0.8277 0.0722 0.0276 -0.0673 365 SER A O 1773 C CB . SER A 232 ? 0.9020 0.8432 0.8452 0.0638 0.0385 -0.0663 365 SER A CB 1774 O OG . SER A 232 ? 0.9404 0.9068 0.8944 0.0642 0.0507 -0.0619 365 SER A OG 1775 N N . GLY A 233 ? 0.6625 0.6295 0.6450 0.0646 0.0449 -0.0572 366 GLY A N 1776 C CA . GLY A 233 ? 0.6778 0.6560 0.6755 0.0720 0.0479 -0.0577 366 GLY A CA 1777 C C . GLY A 233 ? 0.6618 0.6653 0.6760 0.0682 0.0574 -0.0507 366 GLY A C 1778 O O . GLY A 233 ? 0.6488 0.6581 0.6630 0.0588 0.0598 -0.0450 366 GLY A O 1779 N N . GLY A 234 ? 0.6733 0.6916 0.7025 0.0756 0.0617 -0.0514 367 GLY A N 1780 C CA . GLY A 234 ? 0.6050 0.6465 0.6517 0.0716 0.0690 -0.0442 367 GLY A CA 1781 C C . GLY A 234 ? 0.5227 0.5647 0.5846 0.0684 0.0635 -0.0399 367 GLY A C 1782 O O . GLY A 234 ? 0.5331 0.5599 0.5928 0.0712 0.0552 -0.0428 367 GLY A O 1783 N N . ASP A 235 ? 0.4696 0.5277 0.5460 0.0623 0.0669 -0.0328 368 ASP A N 1784 C CA . ASP A 235 ? 0.4437 0.5027 0.5339 0.0593 0.0611 -0.0289 368 ASP A CA 1785 C C . ASP A 235 ? 0.4160 0.4565 0.4958 0.0522 0.0528 -0.0276 368 ASP A C 1786 O O . ASP A 235 ? 0.3431 0.3753 0.4095 0.0468 0.0526 -0.0275 368 ASP A O 1787 C CB . ASP A 235 ? 0.5328 0.6108 0.6393 0.0537 0.0650 -0.0217 368 ASP A CB 1788 C CG . ASP A 235 ? 0.7113 0.8117 0.8326 0.0595 0.0730 -0.0210 368 ASP A CG 1789 O OD1 . ASP A 235 ? 0.7608 0.8640 0.8868 0.0696 0.0734 -0.0265 368 ASP A OD1 1790 O OD2 . ASP A 235 ? 0.7523 0.8683 0.8810 0.0540 0.0786 -0.0146 368 ASP A OD2 1791 N N . LEU A 236 ? 0.3090 0.3445 0.3952 0.0522 0.0458 -0.0264 369 LEU A N 1792 C CA . LEU A 236 ? 0.3506 0.3712 0.4266 0.0456 0.0386 -0.0244 369 LEU A CA 1793 C C . LEU A 236 ? 0.4281 0.4545 0.5033 0.0370 0.0404 -0.0203 369 LEU A C 1794 O O . LEU A 236 ? 0.3534 0.3715 0.4175 0.0311 0.0377 -0.0194 369 LEU A O 1795 C CB . LEU A 236 ? 0.3365 0.3523 0.4192 0.0476 0.0310 -0.0233 369 LEU A CB 1796 C CG . LEU A 236 ? 0.4570 0.4608 0.5376 0.0558 0.0253 -0.0276 369 LEU A CG 1797 C CD1 . LEU A 236 ? 0.4907 0.4903 0.5783 0.0573 0.0169 -0.0256 369 LEU A CD1 1798 C CD2 . LEU A 236 ? 0.5294 0.5128 0.5905 0.0532 0.0210 -0.0292 369 LEU A CD2 1799 N N . GLU A 237 ? 0.3692 0.4105 0.4568 0.0363 0.0443 -0.0177 370 GLU A N 1800 C CA . GLU A 237 ? 0.5109 0.5566 0.5987 0.0297 0.0445 -0.0146 370 GLU A CA 1801 C C . GLU A 237 ? 0.4989 0.5420 0.5746 0.0264 0.0480 -0.0155 370 GLU A C 1802 O O . GLU A 237 ? 0.6561 0.6993 0.7285 0.0214 0.0465 -0.0144 370 GLU A O 1803 C CB . GLU A 237 ? 0.4485 0.5083 0.5523 0.0291 0.0462 -0.0107 370 GLU A CB 1804 C CG . GLU A 237 ? 0.4961 0.5588 0.6136 0.0308 0.0406 -0.0092 370 GLU A CG 1805 C CD . GLU A 237 ? 0.4768 0.5442 0.6033 0.0378 0.0420 -0.0108 370 GLU A CD 1806 O OE1 . GLU A 237 ? 0.5251 0.5969 0.6491 0.0418 0.0487 -0.0130 370 GLU A OE1 1807 O OE2 . GLU A 237 ? 0.3979 0.4645 0.5336 0.0401 0.0359 -0.0105 370 GLU A OE2 1808 N N . ILE A 238 ? 0.4727 0.5132 0.5415 0.0300 0.0518 -0.0184 371 ILE A N 1809 C CA . ILE A 238 ? 0.4587 0.4956 0.5154 0.0274 0.0541 -0.0196 371 ILE A CA 1810 C C . ILE A 238 ? 0.4499 0.4715 0.4930 0.0259 0.0497 -0.0226 371 ILE A C 1811 O O . ILE A 238 ? 0.3336 0.3518 0.3690 0.0205 0.0483 -0.0222 371 ILE A O 1812 C CB . ILE A 238 ? 0.6834 0.7271 0.7385 0.0321 0.0609 -0.0209 371 ILE A CB 1813 C CG1 . ILE A 238 ? 0.7633 0.8239 0.8336 0.0321 0.0652 -0.0161 371 ILE A CG1 1814 C CG2 . ILE A 238 ? 0.7551 0.7946 0.7968 0.0289 0.0621 -0.0217 371 ILE A CG2 1815 C CD1 . ILE A 238 ? 0.7609 0.8252 0.8359 0.0247 0.0628 -0.0109 371 ILE A CD1 1816 N N . THR A 239 ? 0.2716 0.2838 0.3126 0.0304 0.0464 -0.0252 372 THR A N 1817 C CA . THR A 239 ? 0.2496 0.2447 0.2775 0.0282 0.0404 -0.0270 372 THR A CA 1818 C C . THR A 239 ? 0.2690 0.2605 0.2956 0.0203 0.0354 -0.0228 372 THR A C 1819 O O . THR A 239 ? 0.3286 0.3090 0.3452 0.0148 0.0307 -0.0218 372 THR A O 1820 C CB . THR A 239 ? 0.3825 0.3658 0.4075 0.0366 0.0366 -0.0315 372 THR A CB 1821 O OG1 . THR A 239 ? 0.2980 0.2847 0.3339 0.0398 0.0346 -0.0300 372 THR A OG1 1822 C CG2 . THR A 239 ? 0.4526 0.4413 0.4767 0.0456 0.0424 -0.0369 372 THR A CG2 1823 N N . MET A 240 ? 0.2636 0.2650 0.2998 0.0195 0.0362 -0.0200 373 MET A N 1824 C CA . MET A 240 ? 0.2671 0.2679 0.3008 0.0133 0.0327 -0.0165 373 MET A CA 1825 C C . MET A 240 ? 0.2485 0.2632 0.2881 0.0105 0.0357 -0.0154 373 MET A C 1826 O O . MET A 240 ? 0.2490 0.2722 0.2969 0.0135 0.0390 -0.0161 373 MET A O 1827 C CB . MET A 240 ? 0.2495 0.2451 0.2858 0.0162 0.0280 -0.0154 373 MET A CB 1828 C CG . MET A 240 ? 0.3690 0.3497 0.4010 0.0210 0.0234 -0.0174 373 MET A CG 1829 S SD . MET A 240 ? 0.4964 0.4695 0.5311 0.0242 0.0158 -0.0155 373 MET A SD 1830 C CE . MET A 240 ? 0.4774 0.4424 0.4973 0.0130 0.0110 -0.0094 373 MET A CE 1831 N N . HIS A 241 ? 0.2063 0.2236 0.2415 0.0050 0.0342 -0.0135 374 HIS A N 1832 C CA . HIS A 241 ? 0.1741 0.2039 0.2146 0.0045 0.0355 -0.0138 374 HIS A CA 1833 C C . HIS A 241 ? 0.2470 0.2780 0.2932 0.0085 0.0328 -0.0138 374 HIS A C 1834 O O . HIS A 241 ? 0.2890 0.3159 0.3298 0.0075 0.0296 -0.0123 374 HIS A O 1835 C CB . HIS A 241 ? 0.1720 0.2073 0.2060 -0.0016 0.0355 -0.0126 374 HIS A CB 1836 C CG . HIS A 241 ? 0.1818 0.2297 0.2198 0.0000 0.0359 -0.0145 374 HIS A CG 1837 N ND1 . HIS A 241 ? 0.1746 0.2280 0.2210 0.0042 0.0360 -0.0173 374 HIS A ND1 1838 C CD2 . HIS A 241 ? 0.1909 0.2467 0.2247 -0.0015 0.0357 -0.0144 374 HIS A CD2 1839 C CE1 . HIS A 241 ? 0.1769 0.2392 0.2244 0.0061 0.0347 -0.0198 374 HIS A CE1 1840 N NE2 . HIS A 241 ? 0.2211 0.2863 0.2608 0.0033 0.0353 -0.0186 374 HIS A NE2 1841 N N . SER A 242 ? 0.2037 0.2395 0.2604 0.0123 0.0332 -0.0146 375 SER A N 1842 C CA . SER A 242 ? 0.1983 0.2350 0.2625 0.0156 0.0291 -0.0144 375 SER A CA 1843 C C . SER A 242 ? 0.2733 0.3165 0.3406 0.0160 0.0267 -0.0161 375 SER A C 1844 O O . SER A 242 ? 0.2260 0.2741 0.2956 0.0152 0.0285 -0.0169 375 SER A O 1845 C CB . SER A 242 ? 0.2235 0.2613 0.2995 0.0192 0.0298 -0.0134 375 SER A CB 1846 O OG . SER A 242 ? 0.3375 0.3824 0.4201 0.0185 0.0330 -0.0126 375 SER A OG 1847 N N . PHE A 243 ? 0.2014 0.2432 0.2675 0.0179 0.0216 -0.0171 376 PHE A N 1848 C CA . PHE A 243 ? 0.1861 0.2320 0.2537 0.0202 0.0174 -0.0203 376 PHE A CA 1849 C C . PHE A 243 ? 0.2625 0.3038 0.3303 0.0233 0.0101 -0.0212 376 PHE A C 1850 O O . PHE A 243 ? 0.2478 0.2834 0.3136 0.0233 0.0088 -0.0190 376 PHE A O 1851 C CB . PHE A 243 ? 0.2057 0.2583 0.2634 0.0192 0.0202 -0.0232 376 PHE A CB 1852 C CG . PHE A 243 ? 0.2914 0.3436 0.3365 0.0168 0.0218 -0.0220 376 PHE A CG 1853 C CD1 . PHE A 243 ? 0.2974 0.3464 0.3373 0.0116 0.0258 -0.0181 376 PHE A CD1 1854 C CD2 . PHE A 243 ? 0.3147 0.3689 0.3517 0.0194 0.0186 -0.0244 376 PHE A CD2 1855 C CE1 . PHE A 243 ? 0.2841 0.3316 0.3122 0.0077 0.0261 -0.0153 376 PHE A CE1 1856 C CE2 . PHE A 243 ? 0.3259 0.3805 0.3498 0.0160 0.0203 -0.0218 376 PHE A CE2 1857 C CZ . PHE A 243 ? 0.3260 0.3771 0.3460 0.0094 0.0239 -0.0165 376 PHE A CZ 1858 N N . ASN A 244 ? 0.2014 0.2433 0.2709 0.0266 0.0041 -0.0248 377 ASN A N 1859 C CA . ASN A 244 ? 0.2393 0.2752 0.3077 0.0301 -0.0046 -0.0265 377 ASN A CA 1860 C C . ASN A 244 ? 0.2001 0.2379 0.2536 0.0338 -0.0066 -0.0321 377 ASN A C 1861 O O . ASN A 244 ? 0.2669 0.3099 0.3190 0.0368 -0.0071 -0.0370 377 ASN A O 1862 C CB . ASN A 244 ? 0.2519 0.2847 0.3352 0.0313 -0.0127 -0.0261 377 ASN A CB 1863 C CG . ASN A 244 ? 0.2769 0.3021 0.3615 0.0341 -0.0230 -0.0269 377 ASN A CG 1864 O OD1 . ASN A 244 ? 0.2637 0.2849 0.3375 0.0384 -0.0293 -0.0323 377 ASN A OD1 1865 N ND2 . ASN A 244 ? 0.2921 0.3161 0.3899 0.0322 -0.0251 -0.0220 377 ASN A ND2 1866 N N . CYS A 245 ? 0.2552 0.2894 0.2971 0.0340 -0.0079 -0.0314 378 CYS A N 1867 C CA . CYS A 245 ? 0.2693 0.3070 0.2944 0.0375 -0.0087 -0.0362 378 CYS A CA 1868 C C . CYS A 245 ? 0.2799 0.3077 0.2998 0.0421 -0.0195 -0.0386 378 CYS A C 1869 O O . CYS A 245 ? 0.2300 0.2498 0.2483 0.0401 -0.0226 -0.0342 378 CYS A O 1870 C CB . CYS A 245 ? 0.3486 0.3916 0.3602 0.0322 -0.0005 -0.0320 378 CYS A CB 1871 S SG . CYS A 245 ? 0.3910 0.4427 0.3801 0.0350 0.0009 -0.0358 378 CYS A SG 1872 N N . ARG A 246 ? 0.3022 0.3293 0.3196 0.0489 -0.0265 -0.0461 379 ARG A N 1873 C CA . ARG A 246 ? 0.3280 0.3443 0.3388 0.0542 -0.0387 -0.0500 379 ARG A CA 1874 C C . ARG A 246 ? 0.3540 0.3591 0.3808 0.0518 -0.0476 -0.0451 379 ARG A C 1875 O O . ARG A 246 ? 0.3168 0.3124 0.3380 0.0537 -0.0565 -0.0452 379 ARG A O 1876 C CB . ARG A 246 ? 0.5102 0.5272 0.4980 0.0551 -0.0369 -0.0502 379 ARG A CB 1877 C CG . ARG A 246 ? 0.5991 0.6321 0.5723 0.0554 -0.0256 -0.0525 379 ARG A CG 1878 C CD . ARG A 246 ? 0.7665 0.8070 0.7391 0.0642 -0.0275 -0.0630 379 ARG A CD 1879 N NE . ARG A 246 ? 0.9146 0.9749 0.8797 0.0641 -0.0154 -0.0648 379 ARG A NE 1880 C CZ . ARG A 246 ? 0.8615 0.9328 0.8264 0.0722 -0.0148 -0.0742 379 ARG A CZ 1881 N NH1 . ARG A 246 ? 0.7319 0.7929 0.7018 0.0811 -0.0267 -0.0828 379 ARG A NH1 1882 N NH2 . ARG A 246 ? 0.8259 0.9184 0.7866 0.0715 -0.0032 -0.0750 379 ARG A NH2 1883 N N . GLY A 247 ? 0.2272 0.2346 0.2740 0.0476 -0.0451 -0.0407 380 GLY A N 1884 C CA . GLY A 247 ? 0.2419 0.2440 0.3070 0.0448 -0.0517 -0.0354 380 GLY A CA 1885 C C . GLY A 247 ? 0.2720 0.2767 0.3420 0.0406 -0.0442 -0.0287 380 GLY A C 1886 O O . GLY A 247 ? 0.2840 0.2894 0.3722 0.0385 -0.0465 -0.0242 380 GLY A O 1887 N N . GLU A 248 ? 0.2573 0.2642 0.3116 0.0393 -0.0359 -0.0281 381 GLU A N 1888 C CA . GLU A 248 ? 0.2549 0.2607 0.3108 0.0361 -0.0308 -0.0226 381 GLU A CA 1889 C C . GLU A 248 ? 0.2630 0.2768 0.3251 0.0325 -0.0196 -0.0204 381 GLU A C 1890 O O . GLU A 248 ? 0.2459 0.2658 0.3013 0.0313 -0.0135 -0.0224 381 GLU A O 1891 C CB . GLU A 248 ? 0.2702 0.2705 0.3043 0.0354 -0.0306 -0.0217 381 GLU A CB 1892 C CG . GLU A 248 ? 0.2665 0.2595 0.2873 0.0394 -0.0407 -0.0250 381 GLU A CG 1893 C CD . GLU A 248 ? 0.3420 0.3253 0.3732 0.0416 -0.0525 -0.0235 381 GLU A CD 1894 O OE1 . GLU A 248 ? 0.4092 0.3930 0.4577 0.0403 -0.0518 -0.0196 381 GLU A OE1 1895 O OE2 . GLU A 248 ? 0.3783 0.3540 0.4003 0.0453 -0.0629 -0.0267 381 GLU A OE2 1896 N N . PHE A 249 ? 0.2542 0.2683 0.3289 0.0315 -0.0173 -0.0167 382 PHE A N 1897 C CA . PHE A 249 ? 0.2940 0.3140 0.3729 0.0290 -0.0075 -0.0151 382 PHE A CA 1898 C C . PHE A 249 ? 0.2528 0.2683 0.3173 0.0265 -0.0027 -0.0137 382 PHE A C 1899 O O . PHE A 249 ? 0.2479 0.2555 0.3104 0.0274 -0.0058 -0.0118 382 PHE A O 1900 C CB . PHE A 249 ? 0.2529 0.2776 0.3515 0.0301 -0.0066 -0.0126 382 PHE A CB 1901 C CG . PHE A 249 ? 0.2613 0.2924 0.3760 0.0297 -0.0103 -0.0119 382 PHE A CG 1902 C CD1 . PHE A 249 ? 0.3351 0.3731 0.4543 0.0271 -0.0050 -0.0111 382 PHE A CD1 1903 C CD2 . PHE A 249 ? 0.2280 0.2570 0.3530 0.0313 -0.0204 -0.0113 382 PHE A CD2 1904 C CE1 . PHE A 249 ? 0.3051 0.3470 0.4385 0.0254 -0.0098 -0.0089 382 PHE A CE1 1905 C CE2 . PHE A 249 ? 0.2971 0.3306 0.4375 0.0294 -0.0254 -0.0094 382 PHE A CE2 1906 C CZ . PHE A 249 ? 0.3563 0.3959 0.5008 0.0261 -0.0201 -0.0079 382 PHE A CZ 1907 N N . PHE A 250 ? 0.2248 0.2446 0.2798 0.0233 0.0036 -0.0145 383 PHE A N 1908 C CA . PHE A 250 ? 0.1861 0.2019 0.2281 0.0190 0.0075 -0.0121 383 PHE A CA 1909 C C . PHE A 250 ? 0.2645 0.2811 0.3120 0.0177 0.0133 -0.0115 383 PHE A C 1910 O O . PHE A 250 ? 0.2677 0.2920 0.3236 0.0182 0.0173 -0.0131 383 PHE A O 1911 C CB . PHE A 250 ? 0.2458 0.2686 0.2751 0.0156 0.0107 -0.0129 383 PHE A CB 1912 C CG . PHE A 250 ? 0.2907 0.3112 0.3067 0.0160 0.0062 -0.0126 383 PHE A CG 1913 C CD1 . PHE A 250 ? 0.2799 0.2996 0.2983 0.0215 -0.0002 -0.0162 383 PHE A CD1 1914 C CD2 . PHE A 250 ? 0.3723 0.3910 0.3723 0.0103 0.0077 -0.0084 383 PHE A CD2 1915 C CE1 . PHE A 250 ? 0.3082 0.3253 0.3116 0.0226 -0.0047 -0.0166 383 PHE A CE1 1916 C CE2 . PHE A 250 ? 0.4097 0.4273 0.3949 0.0104 0.0042 -0.0076 383 PHE A CE2 1917 C CZ . PHE A 250 ? 0.3404 0.3571 0.3265 0.0172 -0.0019 -0.0122 383 PHE A CZ 1918 N N . TYR A 251 ? 0.2350 0.2419 0.2763 0.0162 0.0126 -0.0094 384 TYR A N 1919 C CA . TYR A 251 ? 0.1856 0.1904 0.2280 0.0156 0.0169 -0.0098 384 TYR A CA 1920 C C . TYR A 251 ? 0.2839 0.2806 0.3115 0.0090 0.0164 -0.0069 384 TYR A C 1921 O O . TYR A 251 ? 0.3001 0.2846 0.3196 0.0077 0.0107 -0.0041 384 TYR A O 1922 C CB . TYR A 251 ? 0.1882 0.1874 0.2394 0.0218 0.0147 -0.0110 384 TYR A CB 1923 C CG . TYR A 251 ? 0.3004 0.3110 0.3689 0.0266 0.0170 -0.0125 384 TYR A CG 1924 C CD1 . TYR A 251 ? 0.3290 0.3437 0.4063 0.0283 0.0124 -0.0119 384 TYR A CD1 1925 C CD2 . TYR A 251 ? 0.3551 0.3723 0.4305 0.0288 0.0232 -0.0140 384 TYR A CD2 1926 C CE1 . TYR A 251 ? 0.3499 0.3753 0.4444 0.0309 0.0135 -0.0118 384 TYR A CE1 1927 C CE2 . TYR A 251 ? 0.4133 0.4428 0.5046 0.0316 0.0257 -0.0136 384 TYR A CE2 1928 C CZ . TYR A 251 ? 0.5090 0.5427 0.6108 0.0320 0.0206 -0.0120 384 TYR A CZ 1929 O OH . TYR A 251 ? 0.6013 0.6476 0.7203 0.0329 0.0222 -0.0102 384 TYR A OH 1930 N N . CYS A 252 ? 0.2042 0.2070 0.2288 0.0044 0.0212 -0.0070 385 CYS A N 1931 C CA . CYS A 252 ? 0.2362 0.2345 0.2488 -0.0039 0.0204 -0.0031 385 CYS A CA 1932 C C . CYS A 252 ? 0.2670 0.2581 0.2778 -0.0060 0.0210 -0.0038 385 CYS A C 1933 O O . CYS A 252 ? 0.2718 0.2690 0.2890 -0.0031 0.0251 -0.0073 385 CYS A O 1934 C CB . CYS A 252 ? 0.2846 0.2983 0.2945 -0.0087 0.0244 -0.0022 385 CYS A CB 1935 S SG . CYS A 252 ? 0.3682 0.3888 0.3756 -0.0054 0.0228 -0.0027 385 CYS A SG 1936 N N . ASN A 253 ? 0.2712 0.2477 0.2719 -0.0112 0.0155 0.0000 386 ASN A N 1937 C CA . ASN A 253 ? 0.3067 0.2723 0.3033 -0.0135 0.0133 -0.0008 386 ASN A CA 1938 C C . ASN A 253 ? 0.2928 0.2681 0.2873 -0.0229 0.0162 0.0019 386 ASN A C 1939 O O . ASN A 253 ? 0.3007 0.2797 0.2898 -0.0321 0.0151 0.0080 386 ASN A O 1940 C CB . ASN A 253 ? 0.3471 0.2901 0.3337 -0.0156 0.0037 0.0023 386 ASN A CB 1941 C CG . ASN A 253 ? 0.3954 0.3224 0.3772 -0.0148 -0.0010 -0.0007 386 ASN A CG 1942 O OD1 . ASN A 253 ? 0.4546 0.3858 0.4356 -0.0197 0.0011 -0.0010 386 ASN A OD1 1943 N ND2 . ASN A 253 ? 0.4860 0.3942 0.4647 -0.0077 -0.0084 -0.0037 386 ASN A ND2 1944 N N . THR A 254 ? 0.2907 0.2712 0.2897 -0.0208 0.0196 -0.0023 387 THR A N 1945 C CA . THR A 254 ? 0.3106 0.3027 0.3106 -0.0284 0.0220 -0.0006 387 THR A CA 1946 C C . THR A 254 ? 0.3004 0.2793 0.2940 -0.0343 0.0164 0.0003 387 THR A C 1947 O O . THR A 254 ? 0.2833 0.2704 0.2797 -0.0383 0.0177 -0.0002 387 THR A O 1948 C CB . THR A 254 ? 0.2740 0.2817 0.2832 -0.0231 0.0282 -0.0054 387 THR A CB 1949 O OG1 . THR A 254 ? 0.2857 0.2851 0.2954 -0.0156 0.0286 -0.0102 387 THR A OG1 1950 C CG2 . THR A 254 ? 0.3035 0.3241 0.3189 -0.0187 0.0319 -0.0062 387 THR A CG2 1951 N N . THR A 255 ? 0.3362 0.2934 0.3214 -0.0346 0.0087 0.0014 388 THR A N 1952 C CA . THR A 255 ? 0.3836 0.3236 0.3611 -0.0401 0.0007 0.0020 388 THR A CA 1953 C C . THR A 255 ? 0.4038 0.3528 0.3819 -0.0548 -0.0010 0.0096 388 THR A C 1954 O O . THR A 255 ? 0.4026 0.3493 0.3803 -0.0595 -0.0043 0.0090 388 THR A O 1955 C CB . THR A 255 ? 0.4235 0.3366 0.3913 -0.0381 -0.0096 0.0024 388 THR A CB 1956 O OG1 . THR A 255 ? 0.5381 0.4453 0.5072 -0.0234 -0.0079 -0.0059 388 THR A OG1 1957 C CG2 . THR A 255 ? 0.4336 0.3262 0.3924 -0.0453 -0.0205 0.0038 388 THR A CG2 1958 N N . GLN A 256 ? 0.3023 0.2634 0.2815 -0.0619 0.0015 0.0168 389 GLN A N 1959 C CA . GLN A 256 ? 0.3690 0.3434 0.3500 -0.0765 0.0013 0.0252 389 GLN A CA 1960 C C . GLN A 256 ? 0.3097 0.3109 0.3024 -0.0766 0.0092 0.0225 389 GLN A C 1961 O O . GLN A 256 ? 0.4113 0.4233 0.4082 -0.0876 0.0079 0.0275 389 GLN A O 1962 C CB . GLN A 256 ? 0.3621 0.3438 0.3390 -0.0832 0.0028 0.0336 389 GLN A CB 1963 C CG . GLN A 256 ? 0.5349 0.4898 0.5000 -0.0831 -0.0062 0.0371 389 GLN A CG 1964 C CD . GLN A 256 ? 0.5539 0.5155 0.5123 -0.0916 -0.0055 0.0469 389 GLN A CD 1965 O OE1 . GLN A 256 ? 0.4804 0.4497 0.4364 -0.1065 -0.0068 0.0571 389 GLN A OE1 1966 N NE2 . GLN A 256 ? 0.5021 0.4619 0.4574 -0.0826 -0.0036 0.0443 389 GLN A NE2 1967 N N . LEU A 257 ? 0.2806 0.2926 0.2793 -0.0649 0.0163 0.0150 390 LEU A N 1968 C CA . LEU A 257 ? 0.3073 0.3429 0.3169 -0.0634 0.0224 0.0117 390 LEU A CA 1969 C C . LEU A 257 ? 0.4560 0.4864 0.4677 -0.0645 0.0184 0.0087 390 LEU A C 1970 O O . LEU A 257 ? 0.5581 0.6050 0.5778 -0.0701 0.0190 0.0099 390 LEU A O 1971 C CB . LEU A 257 ? 0.2962 0.3407 0.3108 -0.0511 0.0287 0.0051 390 LEU A CB 1972 C CG . LEU A 257 ? 0.3559 0.4124 0.3705 -0.0492 0.0331 0.0066 390 LEU A CG 1973 C CD1 . LEU A 257 ? 0.3610 0.4265 0.3823 -0.0379 0.0372 -0.0004 390 LEU A CD1 1974 C CD2 . LEU A 257 ? 0.4018 0.4795 0.4186 -0.0586 0.0360 0.0121 390 LEU A CD2 1975 N N . PHE A 258 ? 0.3292 0.3374 0.3333 -0.0584 0.0141 0.0042 391 PHE A N 1976 C CA . PHE A 258 ? 0.4486 0.4491 0.4512 -0.0578 0.0099 0.0003 391 PHE A CA 1977 C C . PHE A 258 ? 0.6173 0.5969 0.6112 -0.0664 -0.0008 0.0037 391 PHE A C 1978 O O . PHE A 258 ? 0.5712 0.5271 0.5544 -0.0611 -0.0064 -0.0002 391 PHE A O 1979 C CB . PHE A 258 ? 0.3772 0.3698 0.3762 -0.0449 0.0129 -0.0073 391 PHE A CB 1980 C CG . PHE A 258 ? 0.3521 0.3626 0.3598 -0.0379 0.0212 -0.0094 391 PHE A CG 1981 C CD1 . PHE A 258 ? 0.3869 0.4123 0.4020 -0.0369 0.0235 -0.0114 391 PHE A CD1 1982 C CD2 . PHE A 258 ? 0.3097 0.3209 0.3185 -0.0324 0.0250 -0.0094 391 PHE A CD2 1983 C CE1 . PHE A 258 ? 0.3291 0.3680 0.3517 -0.0306 0.0289 -0.0134 391 PHE A CE1 1984 C CE2 . PHE A 258 ? 0.2902 0.3156 0.3069 -0.0266 0.0306 -0.0113 391 PHE A CE2 1985 C CZ . PHE A 258 ? 0.3387 0.3772 0.3620 -0.0257 0.0323 -0.0134 391 PHE A CZ 1986 N N . ASN A 259 ? 0.6253 0.6150 0.6246 -0.0798 -0.0039 0.0111 392 ASN A N 1987 C CA . ASN A 259 ? 0.7748 0.7460 0.7676 -0.0915 -0.0153 0.0171 392 ASN A CA 1988 C C . ASN A 259 ? 0.7530 0.7291 0.7515 -0.1002 -0.0214 0.0184 392 ASN A C 1989 O O . ASN A 259 ? 0.7473 0.7478 0.7582 -0.1102 -0.0188 0.0246 392 ASN A O 1990 C CB . ASN A 259 ? 0.8844 0.8640 0.8786 -0.1028 -0.0145 0.0278 392 ASN A CB 1991 C CG . ASN A 259 ? 1.0837 1.0371 1.0681 -0.1139 -0.0279 0.0350 392 ASN A CG 1992 O OD1 . ASN A 259 ? 1.0628 0.9948 1.0416 -0.1157 -0.0389 0.0326 392 ASN A OD1 1993 N ND2 . ASN A 259 ? 1.3056 1.2588 1.2864 -0.1214 -0.0282 0.0440 392 ASN A ND2 1994 N N . ASN A 260 ? 0.6395 0.5933 0.6290 -0.0958 -0.0298 0.0121 393 ASN A N 1995 C CA . ASN A 260 ? 0.5262 0.4818 0.5198 -0.1024 -0.0371 0.0118 393 ASN A CA 1996 C C . ASN A 260 ? 0.5705 0.5284 0.5706 -0.1212 -0.0463 0.0226 393 ASN A C 1997 O O . ASN A 260 ? 0.6273 0.5987 0.6380 -0.1291 -0.0500 0.0247 393 ASN A O 1998 C CB . ASN A 260 ? 0.5695 0.4965 0.5478 -0.0936 -0.0456 0.0027 393 ASN A CB 1999 C CG . ASN A 260 ? 0.5212 0.4489 0.4937 -0.0765 -0.0359 -0.0066 393 ASN A CG 2000 O OD1 . ASN A 260 ? 0.4583 0.4039 0.4376 -0.0719 -0.0291 -0.0094 393 ASN A OD1 2001 N ND2 . ASN A 260 ? 0.6455 0.5540 0.6062 -0.0672 -0.0360 -0.0109 393 ASN A ND2 2002 N N . THR A 261 ? 0.6767 0.6217 0.6710 -0.1288 -0.0508 0.0300 394 THR A N 2003 C CA . THR A 261 ? 0.7230 0.6700 0.7230 -0.1488 -0.0598 0.0426 394 THR A CA 2004 C C . THR A 261 ? 0.6851 0.6749 0.7044 -0.1578 -0.0486 0.0503 394 THR A C 2005 O O . THR A 261 ? 0.7447 0.7493 0.7762 -0.1722 -0.0535 0.0577 394 THR A O 2006 C CB . THR A 261 ? 0.7694 0.6926 0.7574 -0.1549 -0.0670 0.0499 394 THR A CB 2007 O OG1 . THR A 261 ? 0.8957 0.7808 0.8664 -0.1431 -0.0765 0.0407 394 THR A OG1 2008 C CG2 . THR A 261 ? 0.7758 0.6967 0.7682 -0.1775 -0.0788 0.0643 394 THR A CG2 2009 N N . CYS A 262 ? 0.6726 0.6830 0.6949 -0.1487 -0.0341 0.0480 395 CYS A N 2010 C CA . CYS A 262 ? 0.6760 0.7278 0.7147 -0.1539 -0.0225 0.0532 395 CYS A CA 2011 C C . CYS A 262 ? 0.6931 0.7687 0.7468 -0.1484 -0.0185 0.0463 395 CYS A C 2012 O O . CYS A 262 ? 0.6965 0.8076 0.7667 -0.1537 -0.0117 0.0501 395 CYS A O 2013 C CB . CYS A 262 ? 0.7334 0.7958 0.7680 -0.1447 -0.0102 0.0518 395 CYS A CB 2014 S SG . CYS A 262 ? 0.7867 0.8251 0.8047 -0.1520 -0.0149 0.0612 395 CYS A SG 2015 N N . ILE A 263 ? 0.6984 0.7549 0.7459 -0.1373 -0.0230 0.0362 396 ILE A N 2016 C CA . ILE A 263 ? 0.7467 0.8204 0.8060 -0.1318 -0.0217 0.0297 396 ILE A CA 2017 C C . ILE A 263 ? 0.7565 0.8352 0.8264 -0.1458 -0.0326 0.0350 396 ILE A C 2018 O O . ILE A 263 ? 0.8104 0.8632 0.8716 -0.1550 -0.0453 0.0391 396 ILE A O 2019 C CB . ILE A 263 ? 0.7980 0.8496 0.8450 -0.1161 -0.0230 0.0183 396 ILE A CB 2020 C CG1 . ILE A 263 ? 0.7218 0.7855 0.7695 -0.1019 -0.0105 0.0124 396 ILE A CG1 2021 C CG2 . ILE A 263 ? 0.9020 0.9559 0.9549 -0.1158 -0.0301 0.0141 396 ILE A CG2 2022 C CD1 . ILE A 263 ? 0.7414 0.7972 0.7803 -0.0992 -0.0049 0.0145 396 ILE A CD1 2023 N N . ASN A 272 ? 0.6649 0.8252 0.6996 -0.1759 0.0213 0.0915 411 ASN A N 2024 C CA . ASN A 272 ? 0.6063 0.8063 0.6531 -0.1705 0.0328 0.0886 411 ASN A CA 2025 C C . ASN A 272 ? 0.5891 0.8026 0.6257 -0.1637 0.0427 0.0881 411 ASN A C 2026 O O . ASN A 272 ? 0.6000 0.8413 0.6437 -0.1528 0.0527 0.0806 411 ASN A O 2027 C CB . ASN A 272 ? 0.7925 1.0073 0.8485 -0.1836 0.0295 0.0983 411 ASN A CB 2028 C CG . ASN A 272 ? 0.9440 1.1990 1.0166 -0.1772 0.0398 0.0934 411 ASN A CG 2029 O OD1 . ASN A 272 ? 0.9889 1.2532 1.0764 -0.1718 0.0393 0.0859 411 ASN A OD1 2030 N ND2 . ASN A 272 ? 0.9708 1.2491 1.0404 -0.1776 0.0484 0.0974 411 ASN A ND2 2031 N N . GLY A 273 ? 0.4260 0.6175 0.4451 -0.1697 0.0386 0.0957 412 GLY A N 2032 C CA . GLY A 273 ? 0.4966 0.6966 0.5032 -0.1642 0.0462 0.0960 412 GLY A CA 2033 C C . GLY A 273 ? 0.4820 0.6728 0.4830 -0.1499 0.0498 0.0853 412 GLY A C 2034 O O . GLY A 273 ? 0.4457 0.6333 0.4561 -0.1420 0.0496 0.0760 412 GLY A O 2035 N N . THR A 274 ? 0.4466 0.6332 0.4319 -0.1469 0.0526 0.0871 413 THR A N 2036 C CA . THR A 274 ? 0.3789 0.5570 0.3579 -0.1339 0.0555 0.0778 413 THR A CA 2037 C C . THR A 274 ? 0.3835 0.5196 0.3576 -0.1311 0.0436 0.0758 413 THR A C 2038 O O . THR A 274 ? 0.4976 0.6088 0.4607 -0.1416 0.0344 0.0856 413 THR A O 2039 C CB . THR A 274 ? 0.3824 0.5649 0.3445 -0.1299 0.0598 0.0795 413 THR A CB 2040 O OG1 . THR A 274 ? 0.4421 0.6574 0.4091 -0.1251 0.0686 0.0763 413 THR A OG1 2041 C CG2 . THR A 274 ? 0.4462 0.6133 0.4039 -0.1122 0.0589 0.0671 413 THR A CG2 2042 N N . ILE A 275 ? 0.3906 0.5185 0.3728 -0.1160 0.0432 0.0625 414 ILE A N 2043 C CA . ILE A 275 ? 0.3952 0.4871 0.3735 -0.1096 0.0337 0.0581 414 ILE A CA 2044 C C . ILE A 275 ? 0.4237 0.5038 0.3930 -0.0974 0.0337 0.0528 414 ILE A C 2045 O O . ILE A 275 ? 0.4070 0.5025 0.3803 -0.0860 0.0403 0.0444 414 ILE A O 2046 C CB . ILE A 275 ? 0.3797 0.4697 0.3711 -0.1009 0.0333 0.0478 414 ILE A CB 2047 C CG1 . ILE A 275 ? 0.4791 0.5802 0.4802 -0.1127 0.0318 0.0525 414 ILE A CG1 2048 C CG2 . ILE A 275 ? 0.4187 0.4751 0.4053 -0.0932 0.0252 0.0428 414 ILE A CG2 2049 C CD1 . ILE A 275 ? 0.4826 0.5817 0.4946 -0.1049 0.0306 0.0430 414 ILE A CD1 2050 N N . THR A 276 ? 0.4632 0.5149 0.4206 -0.0997 0.0248 0.0577 415 THR A N 2051 C CA . THR A 276 ? 0.3790 0.4180 0.3286 -0.0889 0.0230 0.0535 415 THR A CA 2052 C C . THR A 276 ? 0.3945 0.4077 0.3481 -0.0785 0.0161 0.0459 415 THR A C 2053 O O . THR A 276 ? 0.4246 0.4128 0.3728 -0.0823 0.0066 0.0496 415 THR A O 2054 C CB . THR A 276 ? 0.4489 0.4770 0.3812 -0.0980 0.0178 0.0647 415 THR A CB 2055 O OG1 . THR A 276 ? 0.4572 0.5131 0.3847 -0.1076 0.0258 0.0722 415 THR A OG1 2056 C CG2 . THR A 276 ? 0.4067 0.4220 0.3320 -0.0863 0.0146 0.0599 415 THR A CG2 2057 N N . LEU A 277 ? 0.3205 0.3404 0.2834 -0.0651 0.0205 0.0354 416 LEU A N 2058 C CA . LEU A 277 ? 0.3147 0.3160 0.2829 -0.0546 0.0162 0.0282 416 LEU A CA 2059 C C . LEU A 277 ? 0.3672 0.3543 0.3295 -0.0480 0.0111 0.0279 416 LEU A C 2060 O O . LEU A 277 ? 0.3603 0.3578 0.3202 -0.0447 0.0139 0.0271 416 LEU A O 2061 C CB . LEU A 277 ? 0.2925 0.3079 0.2738 -0.0448 0.0228 0.0188 416 LEU A CB 2062 C CG . LEU A 277 ? 0.4050 0.4369 0.3940 -0.0488 0.0277 0.0175 416 LEU A CG 2063 C CD1 . LEU A 277 ? 0.3356 0.3753 0.3357 -0.0383 0.0317 0.0086 416 LEU A CD1 2064 C CD2 . LEU A 277 ? 0.3864 0.4046 0.3731 -0.0569 0.0224 0.0211 416 LEU A CD2 2065 N N . PRO A 278 ? 0.3778 0.3407 0.3378 -0.0452 0.0026 0.0277 417 PRO A N 2066 C CA . PRO A 278 ? 0.3387 0.2884 0.2963 -0.0374 -0.0033 0.0264 417 PRO A CA 2067 C C . PRO A 278 ? 0.3019 0.2602 0.2733 -0.0245 0.0009 0.0172 417 PRO A C 2068 O O . PRO A 278 ? 0.3027 0.2630 0.2839 -0.0194 0.0040 0.0115 417 PRO A O 2069 C CB . PRO A 278 ? 0.4229 0.3459 0.3761 -0.0375 -0.0138 0.0277 417 PRO A CB 2070 C CG . PRO A 278 ? 0.4138 0.3372 0.3715 -0.0396 -0.0116 0.0249 417 PRO A CG 2071 C CD . PRO A 278 ? 0.3903 0.3363 0.3490 -0.0489 -0.0032 0.0285 417 PRO A CD 2072 N N . CYS A 279 ? 0.3140 0.2770 0.2852 -0.0199 0.0003 0.0163 418 CYS A N 2073 C CA . CYS A 279 ? 0.3118 0.2831 0.2967 -0.0094 0.0029 0.0091 418 CYS A CA 2074 C C . CYS A 279 ? 0.3265 0.2862 0.3131 -0.0026 -0.0051 0.0084 418 CYS A C 2075 O O . CYS A 279 ? 0.3082 0.2549 0.2826 -0.0059 -0.0123 0.0135 418 CYS A O 2076 C CB . CYS A 279 ? 0.3455 0.3363 0.3316 -0.0091 0.0089 0.0069 418 CYS A CB 2077 S SG . CYS A 279 ? 0.4458 0.4543 0.4340 -0.0149 0.0179 0.0062 418 CYS A SG 2078 N N . LYS A 280 ? 0.2837 0.2485 0.2858 0.0062 -0.0042 0.0028 419 LYS A N 2079 C CA . LYS A 280 ? 0.2949 0.2531 0.3031 0.0132 -0.0116 0.0016 419 LYS A CA 2080 C C . LYS A 280 ? 0.3403 0.3124 0.3620 0.0183 -0.0093 -0.0025 419 LYS A C 2081 O O . LYS A 280 ? 0.3053 0.2891 0.3377 0.0195 -0.0026 -0.0054 419 LYS A O 2082 C CB . LYS A 280 ? 0.3461 0.2945 0.3634 0.0195 -0.0151 -0.0008 419 LYS A CB 2083 C CG . LYS A 280 ? 0.5673 0.4967 0.5716 0.0158 -0.0207 0.0023 419 LYS A CG 2084 C CD . LYS A 280 ? 0.7893 0.7036 0.7789 0.0118 -0.0308 0.0084 419 LYS A CD 2085 C CE . LYS A 280 ? 0.8749 0.7661 0.8542 0.0098 -0.0398 0.0114 419 LYS A CE 2086 N NZ . LYS A 280 ? 0.8971 0.7725 0.8591 0.0034 -0.0499 0.0194 419 LYS A NZ 2087 N N . ILE A 281 ? 0.2433 0.2127 0.2638 0.0208 -0.0163 -0.0022 420 ILE A N 2088 C CA . ILE A 281 ? 0.2448 0.2236 0.2800 0.0258 -0.0176 -0.0057 420 ILE A CA 2089 C C . ILE A 281 ? 0.3041 0.2825 0.3585 0.0321 -0.0208 -0.0070 420 ILE A C 2090 O O . ILE A 281 ? 0.3605 0.3279 0.4141 0.0349 -0.0280 -0.0058 420 ILE A O 2091 C CB . ILE A 281 ? 0.2820 0.2572 0.3075 0.0265 -0.0252 -0.0056 420 ILE A CB 2092 C CG1 . ILE A 281 ? 0.2745 0.2550 0.2818 0.0218 -0.0204 -0.0053 420 ILE A CG1 2093 C CG2 . ILE A 281 ? 0.2820 0.2636 0.3242 0.0315 -0.0295 -0.0091 420 ILE A CG2 2094 C CD1 . ILE A 281 ? 0.4159 0.3942 0.4107 0.0237 -0.0270 -0.0065 420 ILE A CD1 2095 N N . LYS A 282 ? 0.2087 0.2000 0.2805 0.0342 -0.0156 -0.0091 421 LYS A N 2096 C CA . LYS A 282 ? 0.2948 0.2916 0.3870 0.0398 -0.0165 -0.0100 421 LYS A CA 2097 C C . LYS A 282 ? 0.3048 0.3112 0.4147 0.0414 -0.0208 -0.0100 421 LYS A C 2098 O O . LYS A 282 ? 0.2522 0.2649 0.3634 0.0383 -0.0191 -0.0101 421 LYS A O 2099 C CB . LYS A 282 ? 0.3161 0.3212 0.4147 0.0406 -0.0065 -0.0113 421 LYS A CB 2100 C CG . LYS A 282 ? 0.3779 0.3712 0.4633 0.0409 -0.0051 -0.0121 421 LYS A CG 2101 C CD . LYS A 282 ? 0.3914 0.3925 0.4840 0.0442 0.0031 -0.0147 421 LYS A CD 2102 C CE . LYS A 282 ? 0.3132 0.3256 0.4268 0.0521 0.0032 -0.0165 421 LYS A CE 2103 N NZ . LYS A 282 ? 0.4602 0.4618 0.5755 0.0586 -0.0059 -0.0181 421 LYS A NZ 2104 N N . GLN A 283 ? 0.3199 0.3271 0.4446 0.0462 -0.0276 -0.0097 422 GLN A N 2105 C CA . GLN A 283 ? 0.3795 0.3965 0.5244 0.0469 -0.0331 -0.0087 422 GLN A CA 2106 C C . GLN A 283 ? 0.3057 0.3415 0.4737 0.0480 -0.0253 -0.0076 422 GLN A C 2107 O O . GLN A 283 ? 0.4146 0.4614 0.5966 0.0446 -0.0251 -0.0053 422 GLN A O 2108 C CB . GLN A 283 ? 0.2958 0.3053 0.4461 0.0511 -0.0459 -0.0086 422 GLN A CB 2109 C CG . GLN A 283 ? 0.4198 0.4106 0.5454 0.0500 -0.0541 -0.0088 422 GLN A CG 2110 C CD . GLN A 283 ? 0.4870 0.4684 0.6163 0.0545 -0.0676 -0.0083 422 GLN A CD 2111 O OE1 . GLN A 283 ? 0.5775 0.5436 0.6899 0.0556 -0.0723 -0.0076 422 GLN A OE1 2112 N NE2 . GLN A 283 ? 0.4559 0.4460 0.6079 0.0565 -0.0749 -0.0081 422 GLN A NE2 2113 N N . ILE A 284 ? 0.3071 0.3460 0.4779 0.0528 -0.0194 -0.0093 423 ILE A N 2114 C CA . ILE A 284 ? 0.3281 0.3870 0.5185 0.0550 -0.0105 -0.0087 423 ILE A CA 2115 C C . ILE A 284 ? 0.3249 0.3869 0.5043 0.0518 0.0013 -0.0091 423 ILE A C 2116 O O . ILE A 284 ? 0.3227 0.3753 0.4865 0.0541 0.0051 -0.0122 423 ILE A O 2117 C CB . ILE A 284 ? 0.3456 0.4085 0.5468 0.0645 -0.0113 -0.0118 423 ILE A CB 2118 C CG1 . ILE A 284 ? 0.2617 0.3233 0.4770 0.0676 -0.0241 -0.0111 423 ILE A CG1 2119 C CG2 . ILE A 284 ? 0.4069 0.4935 0.6261 0.0677 0.0001 -0.0119 423 ILE A CG2 2120 C CD1 . ILE A 284 ? 0.3669 0.4317 0.5941 0.0782 -0.0272 -0.0149 423 ILE A CD1 2121 N N . ILE A 285 ? 0.2939 0.3674 0.4810 0.0461 0.0056 -0.0055 424 ILE A N 2122 C CA . ILE A 285 ? 0.3153 0.3906 0.4914 0.0425 0.0152 -0.0054 424 ILE A CA 2123 C C . ILE A 285 ? 0.2419 0.3378 0.4344 0.0408 0.0233 -0.0014 424 ILE A C 2124 O O . ILE A 285 ? 0.2990 0.4091 0.5132 0.0402 0.0211 0.0024 424 ILE A O 2125 C CB . ILE A 285 ? 0.4670 0.5328 0.6299 0.0361 0.0119 -0.0046 424 ILE A CB 2126 C CG1 . ILE A 285 ? 0.3575 0.4311 0.5356 0.0315 0.0070 -0.0003 424 ILE A CG1 2127 C CG2 . ILE A 285 ? 0.5163 0.5655 0.6635 0.0369 0.0041 -0.0073 424 ILE A CG2 2128 C CD1 . ILE A 285 ? 0.5401 0.6058 0.7065 0.0269 0.0042 -0.0007 424 ILE A CD1 2129 N N . ASN A 286 ? 0.3211 0.4191 0.5032 0.0393 0.0325 -0.0018 425 ASN A N 2130 C CA . ASN A 286 ? 0.3638 0.4793 0.5560 0.0354 0.0402 0.0033 425 ASN A CA 2131 C C . ASN A 286 ? 0.3217 0.4324 0.5116 0.0267 0.0356 0.0078 425 ASN A C 2132 O O . ASN A 286 ? 0.3361 0.4333 0.5085 0.0249 0.0344 0.0052 425 ASN A O 2133 C CB . ASN A 286 ? 0.4376 0.5557 0.6170 0.0385 0.0510 0.0005 425 ASN A CB 2134 C CG . ASN A 286 ? 0.5104 0.6339 0.6927 0.0488 0.0551 -0.0050 425 ASN A CG 2135 O OD1 . ASN A 286 ? 0.4204 0.5593 0.6226 0.0528 0.0551 -0.0039 425 ASN A OD1 2136 N ND2 . ASN A 286 ? 0.5349 0.6457 0.6983 0.0535 0.0575 -0.0113 425 ASN A ND2 2137 N N . MET A 287 ? 0.2004 0.3221 0.4088 0.0215 0.0321 0.0145 426 MET A N 2138 C CA . MET A 287 ? 0.2080 0.3225 0.4156 0.0140 0.0246 0.0184 426 MET A CA 2139 C C . MET A 287 ? 0.2175 0.3313 0.4130 0.0099 0.0308 0.0205 426 MET A C 2140 O O . MET A 287 ? 0.3061 0.4338 0.5052 0.0083 0.0402 0.0247 426 MET A O 2141 C CB . MET A 287 ? 0.1907 0.3164 0.4222 0.0083 0.0180 0.0262 426 MET A CB 2142 C CG . MET A 287 ? 0.2494 0.3768 0.4951 0.0123 0.0105 0.0246 426 MET A CG 2143 S SD . MET A 287 ? 0.3875 0.5283 0.6634 0.0040 0.0008 0.0345 426 MET A SD 2144 C CE . MET A 287 ? 0.5653 0.6826 0.8302 -0.0016 -0.0142 0.0343 426 MET A CE 2145 N N . TRP A 288 ? 0.2426 0.3412 0.4236 0.0086 0.0256 0.0173 427 TRP A N 2146 C CA . TRP A 288 ? 0.2460 0.3419 0.4154 0.0051 0.0292 0.0186 427 TRP A CA 2147 C C . TRP A 288 ? 0.2105 0.3136 0.3913 -0.0029 0.0269 0.0281 427 TRP A C 2148 O O . TRP A 288 ? 0.2885 0.3935 0.4621 -0.0064 0.0318 0.0317 427 TRP A O 2149 C CB . TRP A 288 ? 0.2709 0.3513 0.4253 0.0064 0.0232 0.0126 427 TRP A CB 2150 C CG . TRP A 288 ? 0.2425 0.3146 0.4020 0.0052 0.0105 0.0123 427 TRP A CG 2151 C CD1 . TRP A 288 ? 0.1995 0.2653 0.3595 0.0088 0.0031 0.0079 427 TRP A CD1 2152 C CD2 . TRP A 288 ? 0.2051 0.2723 0.3680 0.0005 0.0022 0.0160 427 TRP A CD2 2153 N NE1 . TRP A 288 ? 0.2335 0.2910 0.3967 0.0075 -0.0090 0.0077 427 TRP A NE1 2154 C CE2 . TRP A 288 ? 0.2219 0.2795 0.3876 0.0024 -0.0103 0.0125 427 TRP A CE2 2155 C CE3 . TRP A 288 ? 0.1729 0.2414 0.3356 -0.0051 0.0030 0.0220 427 TRP A CE3 2156 C CZ2 . TRP A 288 ? 0.2088 0.2569 0.3776 -0.0003 -0.0227 0.0140 427 TRP A CZ2 2157 C CZ3 . TRP A 288 ? 0.2291 0.2881 0.3954 -0.0087 -0.0094 0.0246 427 TRP A CZ3 2158 C CH2 . TRP A 288 ? 0.2768 0.3252 0.4464 -0.0060 -0.0225 0.0202 427 TRP A CH2 2159 N N . GLN A 289 ? 0.1894 0.2954 0.3876 -0.0064 0.0185 0.0329 428 GLN A N 2160 C CA . GLN A 289 ? 0.3068 0.4193 0.5182 -0.0159 0.0145 0.0437 428 GLN A CA 2161 C C . GLN A 289 ? 0.4640 0.5986 0.6833 -0.0192 0.0276 0.0514 428 GLN A C 2162 O O . GLN A 289 ? 0.4618 0.6044 0.6889 -0.0284 0.0272 0.0622 428 GLN A O 2163 C CB . GLN A 289 ? 0.2788 0.3892 0.5083 -0.0192 0.0011 0.0469 428 GLN A CB 2164 C CG . GLN A 289 ? 0.2744 0.3633 0.4949 -0.0153 -0.0126 0.0390 428 GLN A CG 2165 C CD . GLN A 289 ? 0.3285 0.4137 0.5439 -0.0064 -0.0124 0.0298 428 GLN A CD 2166 O OE1 . GLN A 289 ? 0.2548 0.3466 0.4641 -0.0014 -0.0013 0.0262 428 GLN A OE1 2167 N NE2 . GLN A 289 ? 0.3061 0.3794 0.5230 -0.0045 -0.0258 0.0260 428 GLN A NE2 2168 N N . GLY A 290 ? 0.5252 0.6698 0.7419 -0.0114 0.0387 0.0460 429 GLY A N 2169 C CA . GLY A 290 ? 0.5194 0.6861 0.7409 -0.0115 0.0524 0.0506 429 GLY A CA 2170 C C . GLY A 290 ? 0.5864 0.7754 0.8339 -0.0121 0.0541 0.0557 429 GLY A C 2171 O O . GLY A 290 ? 0.5758 0.7838 0.8249 -0.0115 0.0645 0.0579 429 GLY A O 2172 N N . THR A 291 ? 0.6929 0.8756 0.9540 -0.0127 0.0420 0.0551 430 THR A N 2173 C CA . THR A 291 ? 0.7421 0.9417 1.0254 -0.0139 0.0400 0.0591 430 THR A CA 2174 C C . THR A 291 ? 0.7499 0.9524 1.0357 -0.0019 0.0422 0.0493 430 THR A C 2175 O O . THR A 291 ? 0.8887 1.0848 1.1853 0.0001 0.0315 0.0471 430 THR A O 2176 C CB . THR A 291 ? 0.7150 0.9059 1.0136 -0.0223 0.0233 0.0652 430 THR A CB 2177 O OG1 . THR A 291 ? 0.6895 0.8565 0.9784 -0.0174 0.0123 0.0567 430 THR A OG1 2178 C CG2 . THR A 291 ? 0.7462 0.9348 1.0443 -0.0349 0.0194 0.0762 430 THR A CG2 2179 N N . GLY A 292 ? 0.5553 0.7654 0.8296 0.0062 0.0546 0.0432 431 GLY A N 2180 C CA . GLY A 292 ? 0.4756 0.6891 0.7522 0.0179 0.0562 0.0342 431 GLY A CA 2181 C C . GLY A 292 ? 0.4128 0.6050 0.6843 0.0247 0.0479 0.0269 431 GLY A C 2182 O O . GLY A 292 ? 0.3370 0.5092 0.5891 0.0237 0.0458 0.0237 431 GLY A O 2183 N N . GLN A 293 ? 0.4043 0.5979 0.6871 0.0308 0.0417 0.0232 432 GLN A N 2184 C CA . GLN A 293 ? 0.4482 0.6206 0.7228 0.0374 0.0331 0.0159 432 GLN A CA 2185 C C . GLN A 293 ? 0.2793 0.4443 0.5659 0.0336 0.0181 0.0184 432 GLN A C 2186 O O . GLN A 293 ? 0.3865 0.5658 0.6935 0.0280 0.0143 0.0251 432 GLN A O 2187 C CB . GLN A 293 ? 0.4507 0.6260 0.7251 0.0499 0.0365 0.0081 432 GLN A CB 2188 C CG . GLN A 293 ? 0.6350 0.8182 0.8966 0.0552 0.0500 0.0041 432 GLN A CG 2189 C CD . GLN A 293 ? 0.7652 0.9768 1.0383 0.0542 0.0581 0.0074 432 GLN A CD 2190 O OE1 . GLN A 293 ? 0.8022 1.0278 1.0939 0.0479 0.0542 0.0139 432 GLN A OE1 2191 N NE2 . GLN A 293 ? 0.7643 0.9843 1.0261 0.0603 0.0688 0.0024 432 GLN A NE2 2192 N N . ALA A 294 ? 0.2774 0.4179 0.5463 0.0360 0.0090 0.0130 433 ALA A N 2193 C CA . ALA A 294 ? 0.2827 0.4130 0.5579 0.0337 -0.0061 0.0140 433 ALA A CA 2194 C C . ALA A 294 ? 0.3766 0.4856 0.6339 0.0402 -0.0135 0.0071 433 ALA A C 2195 O O . ALA A 294 ? 0.3102 0.4070 0.5453 0.0431 -0.0084 0.0026 433 ALA A O 2196 C CB . ALA A 294 ? 0.3558 0.4770 0.6253 0.0249 -0.0121 0.0176 433 ALA A CB 2197 N N . MET A 295 ? 0.2883 0.3927 0.5553 0.0418 -0.0264 0.0071 434 MET A N 2198 C CA . MET A 295 ? 0.3304 0.4132 0.5787 0.0464 -0.0354 0.0021 434 MET A CA 2199 C C . MET A 295 ? 0.2681 0.3355 0.5062 0.0419 -0.0474 0.0022 434 MET A C 2200 O O . MET A 295 ? 0.3876 0.4585 0.6426 0.0394 -0.0579 0.0051 434 MET A O 2201 C CB . MET A 295 ? 0.2973 0.3835 0.5604 0.0538 -0.0423 0.0006 434 MET A CB 2202 C CG . MET A 295 ? 0.2924 0.3543 0.5343 0.0578 -0.0528 -0.0032 434 MET A CG 2203 S SD . MET A 295 ? 0.2930 0.3554 0.5512 0.0672 -0.0638 -0.0051 434 MET A SD 2204 C CE . MET A 295 ? 0.3100 0.3836 0.5950 0.0627 -0.0761 -0.0006 434 MET A CE 2205 N N . TYR A 296 ? 0.2948 0.3460 0.5053 0.0413 -0.0461 -0.0012 435 TYR A N 2206 C CA . TYR A 296 ? 0.3608 0.3977 0.5578 0.0392 -0.0566 -0.0029 435 TYR A CA 2207 C C . TYR A 296 ? 0.3107 0.3321 0.4939 0.0435 -0.0669 -0.0057 435 TYR A C 2208 O O . TYR A 296 ? 0.3881 0.4079 0.5711 0.0476 -0.0659 -0.0059 435 TYR A O 2209 C CB . TYR A 296 ? 0.2618 0.2932 0.4378 0.0366 -0.0495 -0.0052 435 TYR A CB 2210 C CG . TYR A 296 ? 0.2707 0.3139 0.4582 0.0317 -0.0426 -0.0022 435 TYR A CG 2211 C CD1 . TYR A 296 ? 0.3376 0.3926 0.5299 0.0311 -0.0294 -0.0001 435 TYR A CD1 2212 C CD2 . TYR A 296 ? 0.3029 0.3434 0.4946 0.0281 -0.0504 -0.0013 435 TYR A CD2 2213 C CE1 . TYR A 296 ? 0.4047 0.4697 0.6053 0.0262 -0.0235 0.0036 435 TYR A CE1 2214 C CE2 . TYR A 296 ? 0.2593 0.3085 0.4604 0.0229 -0.0456 0.0026 435 TYR A CE2 2215 C CZ . TYR A 296 ? 0.4003 0.4621 0.6054 0.0216 -0.0318 0.0055 435 TYR A CZ 2216 O OH . TYR A 296 ? 0.3955 0.4652 0.6078 0.0159 -0.0273 0.0103 435 TYR A OH 2217 N N . ALA A 297 ? 0.3697 0.3786 0.5400 0.0431 -0.0775 -0.0080 436 ALA A N 2218 C CA . ALA A 297 ? 0.2574 0.2509 0.4124 0.0467 -0.0886 -0.0100 436 ALA A CA 2219 C C . ALA A 297 ? 0.3744 0.3578 0.5005 0.0474 -0.0820 -0.0115 436 ALA A C 2220 O O . ALA A 297 ? 0.3840 0.3703 0.4983 0.0450 -0.0711 -0.0124 436 ALA A O 2221 C CB . ALA A 297 ? 0.4016 0.3853 0.5503 0.0465 -0.1023 -0.0127 436 ALA A CB 2222 N N . PRO A 298 ? 0.3363 0.3076 0.4513 0.0502 -0.0895 -0.0110 437 PRO A N 2223 C CA . PRO A 298 ? 0.4180 0.3781 0.5048 0.0493 -0.0854 -0.0105 437 PRO A CA 2224 C C . PRO A 298 ? 0.4394 0.3948 0.5006 0.0472 -0.0845 -0.0130 437 PRO A C 2225 O O . PRO A 298 ? 0.3955 0.3490 0.4565 0.0488 -0.0927 -0.0161 437 PRO A O 2226 C CB . PRO A 298 ? 0.3968 0.3436 0.4799 0.0527 -0.0981 -0.0088 437 PRO A CB 2227 C CG . PRO A 298 ? 0.3854 0.3345 0.4885 0.0554 -0.1107 -0.0099 437 PRO A CG 2228 C CD . PRO A 298 ? 0.3538 0.3217 0.4838 0.0539 -0.1030 -0.0100 437 PRO A CD 2229 N N . PRO A 299 ? 0.3880 0.3418 0.4281 0.0440 -0.0752 -0.0118 438 PRO A N 2230 C CA . PRO A 299 ? 0.3342 0.2898 0.3525 0.0424 -0.0709 -0.0145 438 PRO A CA 2231 C C . PRO A 299 ? 0.4212 0.3668 0.4194 0.0451 -0.0818 -0.0167 438 PRO A C 2232 O O . PRO A 299 ? 0.3829 0.3164 0.3769 0.0465 -0.0926 -0.0144 438 PRO A O 2233 C CB . PRO A 299 ? 0.4017 0.3577 0.4042 0.0372 -0.0605 -0.0106 438 PRO A CB 2234 C CG . PRO A 299 ? 0.3957 0.3416 0.4032 0.0371 -0.0649 -0.0061 438 PRO A CG 2235 C CD . PRO A 299 ? 0.3812 0.3319 0.4176 0.0417 -0.0691 -0.0080 438 PRO A CD 2236 N N . ILE A 300 ? 0.3688 0.3191 0.3538 0.0466 -0.0795 -0.0218 439 ILE A N 2237 C CA . ILE A 300 ? 0.4616 0.4037 0.4225 0.0502 -0.0882 -0.0252 439 ILE A CA 2238 C C . ILE A 300 ? 0.4695 0.4082 0.4024 0.0461 -0.0837 -0.0201 439 ILE A C 2239 O O . ILE A 300 ? 0.4473 0.3907 0.3797 0.0402 -0.0735 -0.0146 439 ILE A O 2240 C CB . ILE A 300 ? 0.6116 0.5611 0.5656 0.0547 -0.0865 -0.0337 439 ILE A CB 2241 C CG1 . ILE A 300 ? 0.5582 0.5232 0.5080 0.0516 -0.0701 -0.0337 439 ILE A CG1 2242 C CG2 . ILE A 300 ? 0.5932 0.5417 0.5719 0.0579 -0.0949 -0.0378 439 ILE A CG2 2243 C CD1 . ILE A 300 ? 0.6208 0.5943 0.5646 0.0575 -0.0684 -0.0429 439 ILE A CD1 2244 N N . ASP A 301 ? 0.5039 0.4338 0.4125 0.0489 -0.0921 -0.0215 440 ASP A N 2245 C CA . ASP A 301 ? 0.4890 0.4159 0.3682 0.0440 -0.0886 -0.0154 440 ASP A CA 2246 C C . ASP A 301 ? 0.5117 0.4560 0.3737 0.0428 -0.0749 -0.0179 440 ASP A C 2247 O O . ASP A 301 ? 0.5082 0.4637 0.3779 0.0481 -0.0709 -0.0263 440 ASP A O 2248 C CB . ASP A 301 ? 0.5537 0.4643 0.4116 0.0474 -0.1034 -0.0154 440 ASP A CB 2249 C CG . ASP A 301 ? 0.6931 0.5875 0.5677 0.0483 -0.1177 -0.0120 440 ASP A CG 2250 O OD1 . ASP A 301 ? 0.6633 0.5564 0.5541 0.0442 -0.1146 -0.0062 440 ASP A OD1 2251 O OD2 . ASP A 301 ? 0.8995 0.7824 0.7713 0.0539 -0.1327 -0.0158 440 ASP A OD2 2252 N N . GLY A 302 ? 0.5222 0.4690 0.3615 0.0357 -0.0682 -0.0103 441 GLY A N 2253 C CA . GLY A 302 ? 0.5062 0.4729 0.3287 0.0339 -0.0547 -0.0115 441 GLY A CA 2254 C C . GLY A 302 ? 0.5428 0.5254 0.3824 0.0281 -0.0409 -0.0092 441 GLY A C 2255 O O . GLY A 302 ? 0.4576 0.4340 0.3190 0.0249 -0.0414 -0.0061 441 GLY A O 2256 N N . LYS A 303 ? 0.4826 0.4867 0.3122 0.0273 -0.0287 -0.0113 442 LYS A N 2257 C CA . LYS A 303 ? 0.5032 0.5238 0.3480 0.0217 -0.0161 -0.0094 442 LYS A CA 2258 C C . LYS A 303 ? 0.4582 0.4829 0.3285 0.0294 -0.0161 -0.0192 442 LYS A C 2259 O O . LYS A 303 ? 0.4412 0.4710 0.3105 0.0393 -0.0187 -0.0296 442 LYS A O 2260 C CB . LYS A 303 ? 0.4918 0.5371 0.3196 0.0185 -0.0033 -0.0084 442 LYS A CB 2261 C CG . LYS A 303 ? 0.5048 0.5675 0.3479 0.0110 0.0088 -0.0049 442 LYS A CG 2262 C CD . LYS A 303 ? 0.6607 0.7536 0.4940 0.0117 0.0213 -0.0077 442 LYS A CD 2263 C CE . LYS A 303 ? 0.8303 0.9333 0.6689 0.0271 0.0207 -0.0235 442 LYS A CE 2264 N NZ . LYS A 303 ? 0.8422 0.9776 0.6751 0.0296 0.0333 -0.0280 442 LYS A NZ 2265 N N . ILE A 304 ? 0.3405 0.3617 0.2323 0.0249 -0.0141 -0.0157 443 ILE A N 2266 C CA . ILE A 304 ? 0.3103 0.3363 0.2255 0.0299 -0.0130 -0.0226 443 ILE A CA 2267 C C . ILE A 304 ? 0.3153 0.3591 0.2366 0.0249 -0.0005 -0.0213 443 ILE A C 2268 O O . ILE A 304 ? 0.3553 0.3976 0.2801 0.0161 0.0038 -0.0134 443 ILE A O 2269 C CB . ILE A 304 ? 0.3646 0.3754 0.3003 0.0294 -0.0197 -0.0202 443 ILE A CB 2270 C CG1 . ILE A 304 ? 0.3820 0.3757 0.3130 0.0331 -0.0329 -0.0199 443 ILE A CG1 2271 C CG2 . ILE A 304 ? 0.3267 0.3425 0.2844 0.0339 -0.0191 -0.0262 443 ILE A CG2 2272 C CD1 . ILE A 304 ? 0.3389 0.3212 0.2911 0.0330 -0.0391 -0.0173 443 ILE A CD1 2273 N N . ASN A 305 ? 0.2643 0.3244 0.1870 0.0310 0.0040 -0.0295 444 ASN A N 2274 C CA . ASN A 305 ? 0.3440 0.4240 0.2714 0.0269 0.0154 -0.0288 444 ASN A CA 2275 C C . ASN A 305 ? 0.3735 0.4616 0.3179 0.0341 0.0161 -0.0377 444 ASN A C 2276 O O . ASN A 305 ? 0.3180 0.4049 0.2622 0.0444 0.0101 -0.0472 444 ASN A O 2277 C CB . ASN A 305 ? 0.3684 0.4677 0.2759 0.0253 0.0231 -0.0279 444 ASN A CB 2278 C CG . ASN A 305 ? 0.4115 0.5355 0.3264 0.0215 0.0345 -0.0276 444 ASN A CG 2279 O OD1 . ASN A 305 ? 0.4023 0.5429 0.3214 0.0303 0.0375 -0.0373 444 ASN A OD1 2280 N ND2 . ASN A 305 ? 0.3482 0.4740 0.2651 0.0087 0.0397 -0.0168 444 ASN A ND2 2281 N N . CYS A 306 ? 0.3176 0.4118 0.2757 0.0285 0.0221 -0.0346 445 CYS A N 2282 C CA . CYS A 306 ? 0.2646 0.3671 0.2376 0.0340 0.0230 -0.0417 445 CYS A CA 2283 C C . CYS A 306 ? 0.2135 0.3349 0.1909 0.0280 0.0329 -0.0390 445 CYS A C 2284 O O . CYS A 306 ? 0.3268 0.4450 0.3070 0.0180 0.0364 -0.0306 445 CYS A O 2285 C CB . CYS A 306 ? 0.4036 0.4898 0.3933 0.0342 0.0169 -0.0410 445 CYS A CB 2286 S SG . CYS A 306 ? 0.5122 0.5813 0.5048 0.0429 0.0036 -0.0465 445 CYS A SG 2287 N N . VAL A 307 ? 0.2389 0.3797 0.2174 0.0346 0.0364 -0.0468 446 VAL A N 2288 C CA . VAL A 307 ? 0.2597 0.4209 0.2462 0.0300 0.0447 -0.0453 446 VAL A CA 2289 C C . VAL A 307 ? 0.2637 0.4243 0.2666 0.0365 0.0410 -0.0523 446 VAL A C 2290 O O . VAL A 307 ? 0.2346 0.3975 0.2389 0.0481 0.0361 -0.0625 446 VAL A O 2291 C CB . VAL A 307 ? 0.3394 0.5285 0.3164 0.0327 0.0524 -0.0486 446 VAL A CB 2292 C CG1 . VAL A 307 ? 0.3747 0.5869 0.3631 0.0265 0.0606 -0.0459 446 VAL A CG1 2293 C CG2 . VAL A 307 ? 0.3130 0.5019 0.2707 0.0262 0.0553 -0.0410 446 VAL A CG2 2294 N N . SER A 308 ? 0.2317 0.3876 0.2456 0.0291 0.0423 -0.0469 447 SER A N 2295 C CA . SER A 308 ? 0.2021 0.3542 0.2299 0.0336 0.0380 -0.0515 447 SER A CA 2296 C C . SER A 308 ? 0.2319 0.4008 0.2686 0.0292 0.0434 -0.0504 447 SER A C 2297 O O . SER A 308 ? 0.2346 0.4131 0.2687 0.0196 0.0499 -0.0435 447 SER A O 2298 C CB . SER A 308 ? 0.2524 0.3812 0.2854 0.0300 0.0330 -0.0467 447 SER A CB 2299 O OG . SER A 308 ? 0.2716 0.3861 0.2983 0.0324 0.0280 -0.0462 447 SER A OG 2300 N N . ASN A 309 ? 0.1952 0.3667 0.2425 0.0358 0.0394 -0.0568 448 ASN A N 2301 C CA . ASN A 309 ? 0.2319 0.4163 0.2894 0.0321 0.0422 -0.0559 448 ASN A CA 2302 C C . ASN A 309 ? 0.1855 0.3510 0.2478 0.0258 0.0391 -0.0502 448 ASN A C 2303 O O . ASN A 309 ? 0.2408 0.3903 0.3059 0.0302 0.0325 -0.0522 448 ASN A O 2304 C CB . ASN A 309 ? 0.2382 0.4359 0.3042 0.0438 0.0384 -0.0665 448 ASN A CB 2305 C CG . ASN A 309 ? 0.4146 0.6305 0.4744 0.0503 0.0412 -0.0719 448 ASN A CG 2306 O OD1 . ASN A 309 ? 0.4009 0.6303 0.4546 0.0433 0.0489 -0.0663 448 ASN A OD1 2307 N ND2 . ASN A 309 ? 0.7394 0.9525 0.7992 0.0631 0.0335 -0.0819 448 ASN A ND2 2308 N N . ILE A 310 ? 0.1689 0.3362 0.2316 0.0153 0.0434 -0.0431 449 ILE A N 2309 C CA . ILE A 310 ? 0.1992 0.3513 0.2651 0.0106 0.0408 -0.0392 449 ILE A CA 2310 C C . ILE A 310 ? 0.1962 0.3570 0.2722 0.0146 0.0374 -0.0440 449 ILE A C 2311 O O . ILE A 310 ? 0.1847 0.3654 0.2666 0.0132 0.0400 -0.0453 449 ILE A O 2312 C CB . ILE A 310 ? 0.2051 0.3541 0.2670 -0.0010 0.0444 -0.0312 449 ILE A CB 2313 C CG1 . ILE A 310 ? 0.2010 0.3395 0.2525 -0.0046 0.0461 -0.0263 449 ILE A CG1 2314 C CG2 . ILE A 310 ? 0.2097 0.3434 0.2731 -0.0041 0.0413 -0.0289 449 ILE A CG2 2315 C CD1 . ILE A 310 ? 0.2317 0.3655 0.2780 -0.0159 0.0477 -0.0185 449 ILE A CD1 2316 N N . THR A 311 ? 0.1379 0.2845 0.2166 0.0193 0.0311 -0.0460 450 THR A N 2317 C CA . THR A 311 ? 0.1372 0.2886 0.2243 0.0241 0.0257 -0.0506 450 THR A CA 2318 C C . THR A 311 ? 0.1348 0.2708 0.2212 0.0191 0.0226 -0.0459 450 THR A C 2319 O O . THR A 311 ? 0.1910 0.3285 0.2828 0.0213 0.0175 -0.0481 450 THR A O 2320 C CB . THR A 311 ? 0.2337 0.3821 0.3237 0.0355 0.0183 -0.0582 450 THR A CB 2321 O OG1 . THR A 311 ? 0.2388 0.3664 0.3244 0.0353 0.0146 -0.0549 450 THR A OG1 2322 C CG2 . THR A 311 ? 0.2234 0.3888 0.3123 0.0424 0.0210 -0.0647 450 THR A CG2 2323 N N . GLY A 312 ? 0.2415 0.3629 0.3205 0.0132 0.0256 -0.0399 451 GLY A N 2324 C CA . GLY A 312 ? 0.1976 0.3051 0.2732 0.0093 0.0240 -0.0357 451 GLY A CA 2325 C C . GLY A 312 ? 0.1909 0.2881 0.2583 0.0031 0.0288 -0.0304 451 GLY A C 2326 O O . GLY A 312 ? 0.1804 0.2774 0.2450 0.0023 0.0323 -0.0292 451 GLY A O 2327 N N . ILE A 313 ? 0.1625 0.2501 0.2249 -0.0004 0.0283 -0.0278 452 ILE A N 2328 C CA . ILE A 313 ? 0.1631 0.2393 0.2170 -0.0043 0.0318 -0.0243 452 ILE A CA 2329 C C . ILE A 313 ? 0.2226 0.2872 0.2712 -0.0030 0.0314 -0.0225 452 ILE A C 2330 O O . ILE A 313 ? 0.2244 0.2878 0.2721 -0.0028 0.0279 -0.0228 452 ILE A O 2331 C CB . ILE A 313 ? 0.2022 0.2790 0.2523 -0.0107 0.0317 -0.0233 452 ILE A CB 2332 C CG1 . ILE A 313 ? 0.2201 0.3125 0.2761 -0.0137 0.0328 -0.0235 452 ILE A CG1 2333 C CG2 . ILE A 313 ? 0.2815 0.3439 0.3218 -0.0132 0.0335 -0.0210 452 ILE A CG2 2334 C CD1 . ILE A 313 ? 0.2234 0.3188 0.2787 -0.0219 0.0313 -0.0212 452 ILE A CD1 2335 N N . LEU A 314 ? 0.1754 0.2326 0.2205 -0.0019 0.0349 -0.0206 453 LEU A N 2336 C CA . LEU A 314 ? 0.1874 0.2369 0.2268 -0.0008 0.0366 -0.0184 453 LEU A CA 2337 C C . LEU A 314 ? 0.2788 0.3197 0.3073 -0.0022 0.0386 -0.0191 453 LEU A C 2338 O O . LEU A 314 ? 0.2682 0.3056 0.2951 -0.0023 0.0402 -0.0197 453 LEU A O 2339 C CB . LEU A 314 ? 0.2330 0.2827 0.2775 0.0020 0.0391 -0.0161 453 LEU A CB 2340 C CG . LEU A 314 ? 0.3112 0.3660 0.3657 0.0036 0.0351 -0.0159 453 LEU A CG 2341 C CD1 . LEU A 314 ? 0.3814 0.4360 0.4422 0.0052 0.0364 -0.0129 453 LEU A CD1 2342 C CD2 . LEU A 314 ? 0.3100 0.3644 0.3650 0.0033 0.0300 -0.0151 453 LEU A CD2 2343 N N . LEU A 315 ? 0.2235 0.2593 0.2434 -0.0029 0.0373 -0.0193 454 LEU A N 2344 C CA . LEU A 315 ? 0.2567 0.2822 0.2644 -0.0033 0.0372 -0.0214 454 LEU A CA 2345 C C . LEU A 315 ? 0.2235 0.2436 0.2203 0.0004 0.0406 -0.0212 454 LEU A C 2346 O O . LEU A 315 ? 0.2171 0.2409 0.2139 0.0007 0.0413 -0.0184 454 LEU A O 2347 C CB . LEU A 315 ? 0.2419 0.2655 0.2466 -0.0080 0.0311 -0.0228 454 LEU A CB 2348 C CG . LEU A 315 ? 0.2313 0.2628 0.2455 -0.0127 0.0285 -0.0226 454 LEU A CG 2349 C CD1 . LEU A 315 ? 0.2608 0.2932 0.2744 -0.0176 0.0222 -0.0234 454 LEU A CD1 2350 C CD2 . LEU A 315 ? 0.2346 0.2604 0.2466 -0.0143 0.0298 -0.0222 454 LEU A CD2 2351 N N . THR A 316 ? 0.2285 0.2397 0.2153 0.0033 0.0422 -0.0243 455 THR A N 2352 C CA . THR A 316 ? 0.2280 0.2349 0.2014 0.0080 0.0458 -0.0258 455 THR A CA 2353 C C . THR A 316 ? 0.2746 0.2670 0.2325 0.0082 0.0404 -0.0308 455 THR A C 2354 O O . THR A 316 ? 0.3243 0.3080 0.2813 0.0077 0.0366 -0.0337 455 THR A O 2355 C CB . THR A 316 ? 0.3496 0.3602 0.3253 0.0143 0.0530 -0.0265 455 THR A CB 2356 O OG1 . THR A 316 ? 0.3626 0.3858 0.3535 0.0133 0.0566 -0.0214 455 THR A OG1 2357 C CG2 . THR A 316 ? 0.3621 0.3718 0.3233 0.0201 0.0581 -0.0286 455 THR A CG2 2358 N N . ARG A 317 ? 0.3034 0.2917 0.2482 0.0085 0.0388 -0.0314 456 ARG A N 2359 C CA . ARG A 317 ? 0.3205 0.2935 0.2495 0.0085 0.0316 -0.0365 456 ARG A CA 2360 C C . ARG A 317 ? 0.3560 0.3198 0.2680 0.0173 0.0349 -0.0425 456 ARG A C 2361 O O . ARG A 317 ? 0.3350 0.3069 0.2424 0.0229 0.0434 -0.0418 456 ARG A O 2362 C CB . ARG A 317 ? 0.2719 0.2434 0.1938 0.0049 0.0262 -0.0349 456 ARG A CB 2363 C CG . ARG A 317 ? 0.3312 0.2861 0.2366 0.0043 0.0170 -0.0401 456 ARG A CG 2364 C CD . ARG A 317 ? 0.3262 0.2804 0.2275 0.0001 0.0100 -0.0380 456 ARG A CD 2365 N NE . ARG A 317 ? 0.3410 0.2992 0.2319 0.0033 0.0153 -0.0351 456 ARG A NE 2366 C CZ . ARG A 317 ? 0.3724 0.3209 0.2398 0.0077 0.0151 -0.0379 456 ARG A CZ 2367 N NH1 . ARG A 317 ? 0.3521 0.2846 0.2039 0.0105 0.0089 -0.0451 456 ARG A NH1 2368 N NH2 . ARG A 317 ? 0.3576 0.3118 0.2160 0.0090 0.0205 -0.0333 456 ARG A NH2 2369 N N . ASP A 318 ? 0.3913 0.3387 0.2944 0.0186 0.0276 -0.0483 457 ASP A N 2370 C CA . ASP A 318 ? 0.4188 0.3545 0.3042 0.0287 0.0284 -0.0563 457 ASP A CA 2371 C C . ASP A 318 ? 0.4566 0.3887 0.3210 0.0329 0.0291 -0.0592 457 ASP A C 2372 O O . ASP A 318 ? 0.4360 0.3633 0.2948 0.0269 0.0222 -0.0575 457 ASP A O 2373 C CB . ASP A 318 ? 0.4536 0.3681 0.3333 0.0280 0.0168 -0.0616 457 ASP A CB 2374 C CG . ASP A 318 ? 0.5335 0.4474 0.4252 0.0295 0.0176 -0.0615 457 ASP A CG 2375 O OD1 . ASP A 318 ? 0.4706 0.4014 0.3791 0.0280 0.0255 -0.0560 457 ASP A OD1 2376 O OD2 . ASP A 318 ? 0.4733 0.3679 0.3569 0.0322 0.0089 -0.0668 457 ASP A OD2 2377 N N . GLY A 319 ? 0.4621 0.3977 0.3145 0.0437 0.0373 -0.0639 458 GLY A N 2378 C CA . GLY A 319 ? 0.5291 0.4608 0.3573 0.0491 0.0386 -0.0676 458 GLY A CA 2379 C C . GLY A 319 ? 0.5889 0.4969 0.3955 0.0566 0.0290 -0.0791 458 GLY A C 2380 O O . GLY A 319 ? 0.5724 0.4682 0.3837 0.0588 0.0227 -0.0840 458 GLY A O 2381 N N . GLY A 320 ? 0.5304 0.4301 0.3123 0.0603 0.0264 -0.0833 459 GLY A N 2382 C CA . GLY A 320 ? 0.5645 0.4402 0.3220 0.0691 0.0165 -0.0955 459 GLY A CA 2383 C C . GLY A 320 ? 0.5816 0.4335 0.3376 0.0606 -0.0021 -0.0971 459 GLY A C 2384 O O . GLY A 320 ? 0.5657 0.3943 0.3076 0.0664 -0.0132 -0.1068 459 GLY A O 2385 N N . ALA A 321 ? 0.4912 0.3490 0.2621 0.0470 -0.0062 -0.0877 460 ALA A N 2386 C CA . ALA A 321 ? 0.5059 0.3465 0.2806 0.0370 -0.0230 -0.0874 460 ALA A CA 2387 C C . ALA A 321 ? 0.4833 0.3163 0.2435 0.0327 -0.0321 -0.0870 460 ALA A C 2388 O O . ALA A 321 ? 0.5324 0.3569 0.3000 0.0227 -0.0455 -0.0847 460 ALA A O 2389 C CB . ALA A 321 ? 0.4063 0.2603 0.2117 0.0250 -0.0225 -0.0779 460 ALA A CB 2390 N N . ASN A 322 ? 0.4674 0.3045 0.2072 0.0400 -0.0251 -0.0887 461 ASN A N 2391 C CA . ASN A 322 ? 0.5100 0.3400 0.2336 0.0367 -0.0334 -0.0877 461 ASN A CA 2392 C C . ASN A 322 ? 0.5530 0.3549 0.2594 0.0362 -0.0526 -0.0959 461 ASN A C 2393 O O . ASN A 322 ? 0.5821 0.3781 0.2884 0.0281 -0.0646 -0.0930 461 ASN A O 2394 C CB . ASN A 322 ? 0.6419 0.4797 0.3420 0.0454 -0.0220 -0.0882 461 ASN A CB 2395 C CG . ASN A 322 ? 0.7266 0.5912 0.4443 0.0417 -0.0068 -0.0771 461 ASN A CG 2396 O OD1 . ASN A 322 ? 0.6993 0.5760 0.4460 0.0344 -0.0045 -0.0705 461 ASN A OD1 2397 N ND2 . ASN A 322 ? 0.7796 0.6533 0.4790 0.0464 0.0032 -0.0746 461 ASN A ND2 2398 N N . ASN A 323 ? 0.5360 0.3198 0.2283 0.0453 -0.0569 -0.1063 462 ASN A N 2399 C CA . ASN A 323 ? 0.5700 0.3235 0.2430 0.0460 -0.0767 -0.1152 462 ASN A CA 2400 C C . ASN A 323 ? 0.5630 0.3047 0.2569 0.0349 -0.0910 -0.1131 462 ASN A C 2401 O O . ASN A 323 ? 0.5980 0.3131 0.2795 0.0352 -0.1082 -0.1200 462 ASN A O 2402 C CB . ASN A 323 ? 0.6028 0.3447 0.2512 0.0623 -0.0746 -0.1266 462 ASN A CB 2403 C CG . ASN A 323 ? 0.6828 0.4383 0.3112 0.0710 -0.0619 -0.1269 462 ASN A CG 2404 O OD1 . ASN A 323 ? 0.6817 0.4408 0.3026 0.0651 -0.0633 -0.1216 462 ASN A OD1 2405 N ND2 . ASN A 323 ? 0.6327 0.3969 0.2535 0.0845 -0.0498 -0.1325 462 ASN A ND2 2406 N N . THR A 324 ? 0.5261 0.2886 0.2521 0.0247 -0.0839 -0.1026 463 THR A N 2407 C CA . THR A 324 ? 0.5653 0.3224 0.3132 0.0119 -0.0953 -0.0978 463 THR A CA 2408 C C . THR A 324 ? 0.5687 0.3477 0.3431 -0.0023 -0.0948 -0.0864 463 THR A C 2409 O O . THR A 324 ? 0.5519 0.3495 0.3294 -0.0012 -0.0849 -0.0822 463 THR A O 2410 C CB . THR A 324 ? 0.5799 0.3413 0.3418 0.0138 -0.0876 -0.0967 463 THR A CB 2411 O OG1 . THR A 324 ? 0.5714 0.3630 0.3542 0.0120 -0.0699 -0.0883 463 THR A OG1 2412 C CG2 . THR A 324 ? 0.5743 0.3191 0.3126 0.0307 -0.0855 -0.1087 463 THR A CG2 2413 N N . SER A 325 ? 0.4975 0.2747 0.2911 -0.0156 -0.1060 -0.0811 464 SER A N 2414 C CA . SER A 325 ? 0.4766 0.2772 0.2973 -0.0282 -0.1058 -0.0712 464 SER A CA 2415 C C . SER A 325 ? 0.4208 0.2462 0.2676 -0.0323 -0.0919 -0.0635 464 SER A C 2416 O O . SER A 325 ? 0.3989 0.2451 0.2700 -0.0423 -0.0913 -0.0559 464 SER A O 2417 C CB . SER A 325 ? 0.5681 0.3582 0.3972 -0.0415 -0.1253 -0.0689 464 SER A CB 2418 O OG . SER A 325 ? 0.6261 0.3976 0.4344 -0.0390 -0.1389 -0.0749 464 SER A OG 2419 N N . ASN A 326 ? 0.4175 0.2415 0.2591 -0.0238 -0.0811 -0.0660 465 ASN A N 2420 C CA . ASN A 326 ? 0.3918 0.2363 0.2551 -0.0265 -0.0688 -0.0594 465 ASN A CA 2421 C C . ASN A 326 ? 0.4350 0.2975 0.2993 -0.0174 -0.0518 -0.0589 465 ASN A C 2422 O O . ASN A 326 ? 0.4749 0.3308 0.3197 -0.0067 -0.0471 -0.0646 465 ASN A O 2423 C CB . ASN A 326 ? 0.5432 0.3728 0.4044 -0.0256 -0.0713 -0.0611 465 ASN A CB 2424 C CG . ASN A 326 ? 0.6616 0.4762 0.5274 -0.0383 -0.0881 -0.0581 465 ASN A CG 2425 O OD1 . ASN A 326 ? 0.7558 0.5727 0.6277 -0.0477 -0.0977 -0.0551 465 ASN A OD1 2426 N ND2 . ASN A 326 ? 0.6616 0.4606 0.5253 -0.0389 -0.0927 -0.0583 465 ASN A ND2 2427 N N . GLU A 327 ? 0.3398 0.2257 0.2267 -0.0221 -0.0430 -0.0518 466 GLU A N 2428 C CA . GLU A 327 ? 0.3478 0.2496 0.2389 -0.0151 -0.0281 -0.0502 466 GLU A CA 2429 C C . GLU A 327 ? 0.4017 0.3129 0.3092 -0.0173 -0.0216 -0.0465 466 GLU A C 2430 O O . GLU A 327 ? 0.3502 0.2708 0.2745 -0.0267 -0.0245 -0.0414 466 GLU A O 2431 C CB . GLU A 327 ? 0.3464 0.2661 0.2474 -0.0174 -0.0250 -0.0458 466 GLU A CB 2432 C CG . GLU A 327 ? 0.3987 0.3093 0.2818 -0.0147 -0.0309 -0.0486 466 GLU A CG 2433 C CD . GLU A 327 ? 0.4917 0.3963 0.3533 -0.0042 -0.0228 -0.0521 466 GLU A CD 2434 O OE1 . GLU A 327 ? 0.4339 0.3449 0.2982 0.0011 -0.0118 -0.0520 466 GLU A OE1 2435 O OE2 . GLU A 327 ? 0.4460 0.3408 0.2880 -0.0014 -0.0275 -0.0548 466 GLU A OE2 2436 N N . THR A 328 ? 0.3030 0.2130 0.2056 -0.0085 -0.0130 -0.0490 467 THR A N 2437 C CA . THR A 328 ? 0.3707 0.2862 0.2859 -0.0094 -0.0083 -0.0461 467 THR A CA 2438 C C . THR A 328 ? 0.2944 0.2310 0.2228 -0.0067 0.0040 -0.0422 467 THR A C 2439 O O . THR A 328 ? 0.3438 0.2852 0.2663 0.0005 0.0111 -0.0436 467 THR A O 2440 C CB . THR A 328 ? 0.4320 0.3292 0.3344 -0.0013 -0.0100 -0.0521 467 THR A CB 2441 O OG1 . THR A 328 ? 0.4794 0.3535 0.3687 -0.0040 -0.0237 -0.0561 467 THR A OG1 2442 C CG2 . THR A 328 ? 0.4315 0.3325 0.3465 -0.0029 -0.0070 -0.0486 467 THR A CG2 2443 N N . PHE A 329 ? 0.2732 0.2222 0.2187 -0.0127 0.0058 -0.0369 468 PHE A N 2444 C CA . PHE A 329 ? 0.2605 0.2277 0.2190 -0.0106 0.0151 -0.0336 468 PHE A CA 2445 C C . PHE A 329 ? 0.2668 0.2355 0.2327 -0.0098 0.0185 -0.0319 468 PHE A C 2446 O O . PHE A 329 ? 0.3432 0.3066 0.3112 -0.0158 0.0134 -0.0301 468 PHE A O 2447 C CB . PHE A 329 ? 0.2203 0.2032 0.1921 -0.0169 0.0139 -0.0298 468 PHE A CB 2448 C CG . PHE A 329 ? 0.2668 0.2483 0.2326 -0.0176 0.0093 -0.0309 468 PHE A CG 2449 C CD1 . PHE A 329 ? 0.3861 0.3589 0.3471 -0.0231 -0.0003 -0.0321 468 PHE A CD1 2450 C CD2 . PHE A 329 ? 0.2617 0.2495 0.2266 -0.0134 0.0131 -0.0302 468 PHE A CD2 2451 C CE1 . PHE A 329 ? 0.3137 0.2842 0.2687 -0.0235 -0.0059 -0.0333 468 PHE A CE1 2452 C CE2 . PHE A 329 ? 0.3007 0.2855 0.2585 -0.0141 0.0076 -0.0307 468 PHE A CE2 2453 C CZ . PHE A 329 ? 0.3118 0.2881 0.2646 -0.0187 -0.0019 -0.0327 468 PHE A CZ 2454 N N . ARG A 330 ? 0.2939 0.2698 0.2636 -0.0032 0.0264 -0.0319 469 ARG A N 2455 C CA . ARG A 330 ? 0.2307 0.2081 0.2076 -0.0015 0.0290 -0.0306 469 ARG A CA 2456 C C . ARG A 330 ? 0.2505 0.2451 0.2411 -0.0011 0.0350 -0.0270 469 ARG A C 2457 O O . ARG A 330 ? 0.2732 0.2756 0.2656 0.0015 0.0389 -0.0265 469 ARG A O 2458 C CB . ARG A 330 ? 0.2639 0.2314 0.2327 0.0077 0.0310 -0.0351 469 ARG A CB 2459 C CG . ARG A 330 ? 0.3310 0.2790 0.2835 0.0100 0.0240 -0.0406 469 ARG A CG 2460 C CD . ARG A 330 ? 0.3663 0.3072 0.3111 0.0219 0.0267 -0.0469 469 ARG A CD 2461 N NE . ARG A 330 ? 0.4437 0.3655 0.3703 0.0262 0.0198 -0.0539 469 ARG A NE 2462 C CZ . ARG A 330 ? 0.5805 0.4815 0.4995 0.0274 0.0100 -0.0577 469 ARG A CZ 2463 N NH1 . ARG A 330 ? 0.4557 0.3529 0.3834 0.0239 0.0065 -0.0541 469 ARG A NH1 2464 N NH2 . ARG A 330 ? 0.4749 0.3572 0.3762 0.0322 0.0026 -0.0651 469 ARG A NH2 2465 N N . PRO A 331 ? 0.2908 0.2901 0.2900 -0.0040 0.0348 -0.0243 470 PRO A N 2466 C CA . PRO A 331 ? 0.2606 0.2737 0.2716 -0.0027 0.0389 -0.0220 470 PRO A CA 2467 C C . PRO A 331 ? 0.2572 0.2719 0.2707 0.0044 0.0437 -0.0226 470 PRO A C 2468 O O . PRO A 331 ? 0.2740 0.2807 0.2829 0.0089 0.0443 -0.0248 470 PRO A O 2469 C CB . PRO A 331 ? 0.3174 0.3315 0.3322 -0.0064 0.0370 -0.0198 470 PRO A CB 2470 C CG . PRO A 331 ? 0.2767 0.2748 0.2820 -0.0078 0.0327 -0.0204 470 PRO A CG 2471 C CD . PRO A 331 ? 0.2767 0.2672 0.2734 -0.0088 0.0299 -0.0229 470 PRO A CD 2472 N N . GLY A 332 ? 0.3570 0.3822 0.3785 0.0054 0.0465 -0.0206 471 GLY A N 2473 C CA . GLY A 332 ? 0.5042 0.5339 0.5301 0.0104 0.0511 -0.0196 471 GLY A CA 2474 C C . GLY A 332 ? 0.6951 0.7349 0.7317 0.0093 0.0515 -0.0159 471 GLY A C 2475 O O . GLY A 332 ? 0.6784 0.7214 0.7218 0.0074 0.0483 -0.0154 471 GLY A O 2476 N N . GLY A 333 ? 0.7781 0.8225 0.8152 0.0105 0.0551 -0.0133 472 GLY A N 2477 C CA . GLY A 333 ? 0.6929 0.7447 0.7403 0.0085 0.0540 -0.0086 472 GLY A CA 2478 C C . GLY A 333 ? 0.6956 0.7544 0.7541 0.0108 0.0571 -0.0059 472 GLY A C 2479 O O . GLY A 333 ? 0.6796 0.7421 0.7365 0.0141 0.0629 -0.0060 472 GLY A O 2480 N N . GLY A 334 ? 0.5523 0.6137 0.6224 0.0096 0.0527 -0.0040 473 GLY A N 2481 C CA . GLY A 334 ? 0.4277 0.4961 0.5108 0.0109 0.0537 -0.0010 473 GLY A CA 2482 C C . GLY A 334 ? 0.6500 0.7243 0.7428 0.0066 0.0514 0.0058 473 GLY A C 2483 O O . GLY A 334 ? 0.8157 0.8927 0.9213 0.0057 0.0470 0.0084 473 GLY A O 2484 N N . ASN A 335 ? 0.5303 0.4742 0.5739 0.0341 0.0369 -0.0717 474 ASN A N 2485 C CA . ASN A 335 ? 0.3838 0.3502 0.4312 0.0339 0.0445 -0.0670 474 ASN A CA 2486 C C . ASN A 335 ? 0.3280 0.3052 0.3835 0.0227 0.0393 -0.0586 474 ASN A C 2487 O O . ASN A 335 ? 0.2989 0.2741 0.3460 0.0151 0.0340 -0.0593 474 ASN A O 2488 C CB . ASN A 335 ? 0.4772 0.4420 0.5042 0.0361 0.0486 -0.0735 474 ASN A CB 2489 C CG . ASN A 335 ? 0.5320 0.5176 0.5617 0.0360 0.0569 -0.0673 474 ASN A CG 2490 O OD1 . ASN A 335 ? 0.4539 0.4548 0.5021 0.0349 0.0599 -0.0591 474 ASN A OD1 2491 N ND2 . ASN A 335 ? 0.6020 0.5866 0.6120 0.0365 0.0594 -0.0707 474 ASN A ND2 2492 N N . ILE A 336 ? 0.2536 0.2424 0.3255 0.0225 0.0405 -0.0512 475 ILE A N 2493 C CA . ILE A 336 ? 0.2234 0.2199 0.3016 0.0138 0.0359 -0.0443 475 ILE A CA 2494 C C . ILE A 336 ? 0.2142 0.2212 0.2873 0.0099 0.0374 -0.0428 475 ILE A C 2495 O O . ILE A 336 ? 0.2381 0.2490 0.3124 0.0036 0.0334 -0.0397 475 ILE A O 2496 C CB . ILE A 336 ? 0.2677 0.2723 0.3612 0.0153 0.0359 -0.0379 475 ILE A CB 2497 C CG1 . ILE A 336 ? 0.2692 0.2628 0.3680 0.0207 0.0332 -0.0386 475 ILE A CG1 2498 C CG2 . ILE A 336 ? 0.2635 0.2722 0.3588 0.0075 0.0311 -0.0324 475 ILE A CG2 2499 C CD1 . ILE A 336 ? 0.2895 0.2656 0.3803 0.0154 0.0259 -0.0394 475 ILE A CD1 2500 N N . LYS A 337 ? 0.2596 0.2710 0.3266 0.0142 0.0435 -0.0447 476 LYS A N 2501 C CA . LYS A 337 ? 0.2734 0.2915 0.3333 0.0111 0.0438 -0.0427 476 LYS A CA 2502 C C . LYS A 337 ? 0.2315 0.2441 0.2820 0.0059 0.0364 -0.0457 476 LYS A C 2503 O O . LYS A 337 ? 0.2398 0.2594 0.2906 0.0025 0.0335 -0.0424 476 LYS A O 2504 C CB . LYS A 337 ? 0.2347 0.2561 0.2853 0.0163 0.0518 -0.0437 476 LYS A CB 2505 C CG . LYS A 337 ? 0.2564 0.2898 0.3204 0.0190 0.0595 -0.0378 476 LYS A CG 2506 C CD . LYS A 337 ? 0.3518 0.3905 0.4053 0.0227 0.0689 -0.0370 476 LYS A CD 2507 C CE . LYS A 337 ? 0.4772 0.5310 0.5477 0.0238 0.0771 -0.0297 476 LYS A CE 2508 N NZ . LYS A 337 ? 0.4766 0.5376 0.5366 0.0264 0.0881 -0.0271 476 LYS A NZ 2509 N N . ASP A 338 ? 0.2149 0.2150 0.2585 0.0054 0.0326 -0.0517 477 ASP A N 2510 C CA . ASP A 338 ? 0.2327 0.2283 0.2705 -0.0014 0.0240 -0.0541 477 ASP A CA 2511 C C . ASP A 338 ? 0.2616 0.2657 0.3133 -0.0083 0.0201 -0.0483 477 ASP A C 2512 O O . ASP A 338 ? 0.2153 0.2263 0.2684 -0.0136 0.0150 -0.0471 477 ASP A O 2513 C CB . ASP A 338 ? 0.2502 0.2270 0.2779 -0.0016 0.0194 -0.0619 477 ASP A CB 2514 C CG . ASP A 338 ? 0.3746 0.3423 0.3832 0.0059 0.0231 -0.0697 477 ASP A CG 2515 O OD1 . ASP A 338 ? 0.3678 0.3439 0.3677 0.0075 0.0258 -0.0685 477 ASP A OD1 2516 O OD2 . ASP A 338 ? 0.3605 0.3115 0.3612 0.0107 0.0235 -0.0769 477 ASP A OD2 2517 N N . ASN A 339 ? 0.2267 0.2313 0.2882 -0.0079 0.0225 -0.0444 478 ASN A N 2518 C CA . ASN A 339 ? 0.2346 0.2477 0.3057 -0.0133 0.0209 -0.0387 478 ASN A CA 2519 C C . ASN A 339 ? 0.1490 0.1763 0.2232 -0.0122 0.0227 -0.0358 478 ASN A C 2520 O O . ASN A 339 ? 0.2200 0.2565 0.2990 -0.0160 0.0207 -0.0336 478 ASN A O 2521 C CB . ASN A 339 ? 0.1985 0.2081 0.2756 -0.0121 0.0225 -0.0350 478 ASN A CB 2522 C CG . ASN A 339 ? 0.2608 0.2543 0.3359 -0.0131 0.0192 -0.0365 478 ASN A CG 2523 O OD1 . ASN A 339 ? 0.2597 0.2420 0.3280 -0.0101 0.0182 -0.0426 478 ASN A OD1 2524 N ND2 . ASN A 339 ? 0.2535 0.2437 0.3325 -0.0170 0.0170 -0.0311 478 ASN A ND2 2525 N N . TRP A 340 ? 0.1753 0.2044 0.2475 -0.0068 0.0267 -0.0355 479 TRP A N 2526 C CA . TRP A 340 ? 0.2282 0.2659 0.3019 -0.0052 0.0273 -0.0327 479 TRP A CA 2527 C C . TRP A 340 ? 0.1889 0.2300 0.2568 -0.0055 0.0237 -0.0340 479 TRP A C 2528 O O . TRP A 340 ? 0.1925 0.2415 0.2642 -0.0048 0.0217 -0.0319 479 TRP A O 2529 C CB . TRP A 340 ? 0.2023 0.2395 0.2764 -0.0014 0.0316 -0.0303 479 TRP A CB 2530 C CG . TRP A 340 ? 0.1870 0.2217 0.2677 -0.0006 0.0338 -0.0292 479 TRP A CG 2531 C CD1 . TRP A 340 ? 0.2119 0.2472 0.2957 0.0024 0.0381 -0.0283 479 TRP A CD1 2532 C CD2 . TRP A 340 ? 0.2383 0.2712 0.3242 -0.0027 0.0315 -0.0281 479 TRP A CD2 2533 N NE1 . TRP A 340 ? 0.1964 0.2310 0.2892 0.0029 0.0373 -0.0269 479 TRP A NE1 2534 C CE2 . TRP A 340 ? 0.1910 0.2225 0.2833 -0.0003 0.0328 -0.0267 479 TRP A CE2 2535 C CE3 . TRP A 340 ? 0.2347 0.2683 0.3205 -0.0063 0.0288 -0.0273 479 TRP A CE3 2536 C CZ2 . TRP A 340 ? 0.1742 0.2026 0.2709 -0.0012 0.0296 -0.0246 479 TRP A CZ2 2537 C CZ3 . TRP A 340 ? 0.2678 0.2978 0.3557 -0.0078 0.0272 -0.0249 479 TRP A CZ3 2538 C CH2 . TRP A 340 ? 0.1818 0.2081 0.2742 -0.0052 0.0267 -0.0236 479 TRP A CH2 2539 N N . ARG A 341 ? 0.1978 0.2320 0.2557 -0.0056 0.0223 -0.0380 480 ARG A N 2540 C CA . ARG A 341 ? 0.2031 0.2391 0.2531 -0.0065 0.0165 -0.0395 480 ARG A CA 2541 C C . ARG A 341 ? 0.2484 0.2927 0.3082 -0.0121 0.0098 -0.0391 480 ARG A C 2542 O O . ARG A 341 ? 0.2387 0.2917 0.3002 -0.0121 0.0044 -0.0378 480 ARG A O 2543 C CB . ARG A 341 ? 0.2283 0.2525 0.2618 -0.0057 0.0155 -0.0454 480 ARG A CB 2544 C CG . ARG A 341 ? 0.2896 0.3094 0.3133 0.0004 0.0240 -0.0453 480 ARG A CG 2545 C CD . ARG A 341 ? 0.2656 0.2739 0.2690 0.0027 0.0237 -0.0524 480 ARG A CD 2546 N NE . ARG A 341 ? 0.3440 0.3497 0.3417 0.0093 0.0345 -0.0534 480 ARG A NE 2547 C CZ . ARG A 341 ? 0.3847 0.3967 0.3774 0.0124 0.0418 -0.0483 480 ARG A CZ 2548 N NH1 . ARG A 341 ? 0.3649 0.3822 0.3553 0.0100 0.0383 -0.0420 480 ARG A NH1 2549 N NH2 . ARG A 341 ? 0.4870 0.5003 0.4782 0.0180 0.0527 -0.0487 480 ARG A NH2 2550 N N . SER A 342 ? 0.1816 0.2244 0.2490 -0.0169 0.0099 -0.0393 481 SER A N 2551 C CA . SER A 342 ? 0.2154 0.2680 0.2941 -0.0241 0.0048 -0.0375 481 SER A CA 2552 C C . SER A 342 ? 0.1631 0.2339 0.2546 -0.0218 0.0073 -0.0328 481 SER A C 2553 O O . SER A 342 ? 0.1971 0.2824 0.3006 -0.0260 0.0039 -0.0306 481 SER A O 2554 C CB . SER A 342 ? 0.2069 0.2516 0.2892 -0.0306 0.0051 -0.0370 481 SER A CB 2555 O OG . SER A 342 ? 0.2315 0.2780 0.3183 -0.0282 0.0118 -0.0331 481 SER A OG 2556 N N . GLU A 343 ? 0.1632 0.2331 0.2526 -0.0149 0.0130 -0.0315 482 GLU A N 2557 C CA . GLU A 343 ? 0.1814 0.2639 0.2794 -0.0103 0.0156 -0.0288 482 GLU A CA 2558 C C . GLU A 343 ? 0.2135 0.2954 0.3071 -0.0030 0.0138 -0.0284 482 GLU A C 2559 O O . GLU A 343 ? 0.2365 0.3290 0.3376 0.0018 0.0128 -0.0269 482 GLU A O 2560 C CB . GLU A 343 ? 0.2266 0.3056 0.3244 -0.0089 0.0219 -0.0276 482 GLU A CB 2561 C CG . GLU A 343 ? 0.2457 0.3265 0.3476 -0.0157 0.0237 -0.0258 482 GLU A CG 2562 C CD . GLU A 343 ? 0.3320 0.4317 0.4459 -0.0185 0.0248 -0.0231 482 GLU A CD 2563 O OE1 . GLU A 343 ? 0.4021 0.5134 0.5210 -0.0118 0.0269 -0.0232 482 GLU A OE1 2564 O OE2 . GLU A 343 ? 0.2822 0.3852 0.4014 -0.0273 0.0236 -0.0206 482 GLU A OE2 2565 N N . LEU A 344 ? 0.1791 0.2486 0.2605 -0.0017 0.0138 -0.0290 483 LEU A N 2566 C CA . LEU A 344 ? 0.1496 0.2155 0.2246 0.0039 0.0125 -0.0267 483 LEU A CA 2567 C C . LEU A 344 ? 0.2968 0.3638 0.3645 0.0040 0.0053 -0.0265 483 LEU A C 2568 O O . LEU A 344 ? 0.2202 0.2827 0.2799 0.0082 0.0033 -0.0233 483 LEU A O 2569 C CB . LEU A 344 ? 0.1745 0.2285 0.2410 0.0045 0.0176 -0.0255 483 LEU A CB 2570 C CG . LEU A 344 ? 0.2070 0.2582 0.2792 0.0052 0.0220 -0.0246 483 LEU A CG 2571 C CD1 . LEU A 344 ? 0.1951 0.2388 0.2633 0.0040 0.0262 -0.0230 483 LEU A CD1 2572 C CD2 . LEU A 344 ? 0.2231 0.2741 0.2980 0.0102 0.0202 -0.0228 483 LEU A CD2 2573 N N . TYR A 345 ? 0.2342 0.3060 0.3037 -0.0012 0.0003 -0.0293 484 TYR A N 2574 C CA . TYR A 345 ? 0.2510 0.3217 0.3104 -0.0023 -0.0086 -0.0303 484 TYR A CA 2575 C C . TYR A 345 ? 0.2965 0.3764 0.3604 0.0030 -0.0156 -0.0260 484 TYR A C 2576 O O . TYR A 345 ? 0.2792 0.3538 0.3288 0.0045 -0.0222 -0.0247 484 TYR A O 2577 C CB . TYR A 345 ? 0.2156 0.2894 0.2791 -0.0104 -0.0149 -0.0343 484 TYR A CB 2578 C CG . TYR A 345 ? 0.2412 0.3345 0.3281 -0.0137 -0.0176 -0.0319 484 TYR A CG 2579 C CD1 . TYR A 345 ? 0.2057 0.3036 0.3046 -0.0167 -0.0104 -0.0311 484 TYR A CD1 2580 C CD2 . TYR A 345 ? 0.2176 0.3266 0.3151 -0.0135 -0.0272 -0.0297 484 TYR A CD2 2581 C CE1 . TYR A 345 ? 0.1901 0.3081 0.3097 -0.0198 -0.0106 -0.0281 484 TYR A CE1 2582 C CE2 . TYR A 345 ? 0.2437 0.3749 0.3658 -0.0160 -0.0280 -0.0268 484 TYR A CE2 2583 C CZ . TYR A 345 ? 0.2755 0.4115 0.4081 -0.0193 -0.0187 -0.0260 484 TYR A CZ 2584 O OH . TYR A 345 ? 0.2684 0.4288 0.4249 -0.0220 -0.0173 -0.0223 484 TYR A OH 2585 N N . LYS A 346 ? 0.2116 0.3047 0.2938 0.0068 -0.0143 -0.0238 485 LYS A N 2586 C CA . LYS A 346 ? 0.2104 0.3143 0.3012 0.0136 -0.0216 -0.0202 485 LYS A CA 2587 C C . LYS A 346 ? 0.1969 0.2896 0.2804 0.0224 -0.0195 -0.0164 485 LYS A C 2588 O O . LYS A 346 ? 0.2917 0.3899 0.3817 0.0301 -0.0255 -0.0131 485 LYS A O 2589 C CB . LYS A 346 ? 0.2517 0.3781 0.3678 0.0147 -0.0209 -0.0201 485 LYS A CB 2590 C CG . LYS A 346 ? 0.2535 0.3802 0.3760 0.0174 -0.0093 -0.0213 485 LYS A CG 2591 C CD . LYS A 346 ? 0.3323 0.4833 0.4780 0.0208 -0.0069 -0.0207 485 LYS A CD 2592 C CE . LYS A 346 ? 0.3794 0.5482 0.5392 0.0102 -0.0106 -0.0200 485 LYS A CE 2593 N NZ . LYS A 346 ? 0.3208 0.5181 0.5060 0.0129 -0.0065 -0.0179 485 LYS A NZ 2594 N N . TYR A 347 ? 0.1856 0.2627 0.2571 0.0212 -0.0118 -0.0163 486 TYR A N 2595 C CA . TYR A 347 ? 0.1878 0.2521 0.2532 0.0271 -0.0102 -0.0120 486 TYR A CA 2596 C C . TYR A 347 ? 0.2312 0.2806 0.2762 0.0245 -0.0101 -0.0076 486 TYR A C 2597 O O . TYR A 347 ? 0.2337 0.2805 0.2687 0.0187 -0.0063 -0.0098 486 TYR A O 2598 C CB . TYR A 347 ? 0.1516 0.2110 0.2225 0.0273 -0.0018 -0.0141 486 TYR A CB 2599 C CG . TYR A 347 ? 0.2078 0.2808 0.2948 0.0302 0.0007 -0.0181 486 TYR A CG 2600 C CD1 . TYR A 347 ? 0.1894 0.2675 0.2856 0.0400 -0.0016 -0.0181 486 TYR A CD1 2601 C CD2 . TYR A 347 ? 0.2058 0.2858 0.2979 0.0240 0.0060 -0.0216 486 TYR A CD2 2602 C CE1 . TYR A 347 ? 0.2092 0.3019 0.3190 0.0435 0.0030 -0.0217 486 TYR A CE1 2603 C CE2 . TYR A 347 ? 0.2147 0.3078 0.3193 0.0259 0.0098 -0.0239 486 TYR A CE2 2604 C CZ . TYR A 347 ? 0.2361 0.3367 0.3493 0.0358 0.0091 -0.0242 486 TYR A CZ 2605 O OH . TYR A 347 ? 0.1835 0.2992 0.3081 0.0385 0.0150 -0.0265 486 TYR A OH 2606 N N . LYS A 348 ? 0.2317 0.2708 0.2700 0.0293 -0.0138 -0.0012 487 LYS A N 2607 C CA . LYS A 348 ? 0.2701 0.2949 0.2896 0.0262 -0.0114 0.0053 487 LYS A CA 2608 C C . LYS A 348 ? 0.2858 0.2964 0.3050 0.0301 -0.0130 0.0122 487 LYS A C 2609 O O . LYS A 348 ? 0.2971 0.3074 0.3255 0.0378 -0.0194 0.0123 487 LYS A O 2610 C CB . LYS A 348 ? 0.2776 0.3019 0.2792 0.0255 -0.0181 0.0082 487 LYS A CB 2611 C CG . LYS A 348 ? 0.3556 0.3778 0.3553 0.0323 -0.0302 0.0143 487 LYS A CG 2612 C CD . LYS A 348 ? 0.4148 0.4330 0.3907 0.0305 -0.0371 0.0183 487 LYS A CD 2613 C CE . LYS A 348 ? 0.4361 0.4506 0.4091 0.0378 -0.0508 0.0261 487 LYS A CE 2614 N NZ . LYS A 348 ? 0.4025 0.4115 0.3483 0.0358 -0.0588 0.0308 487 LYS A NZ 2615 N N . VAL A 349 ? 0.2585 0.2576 0.2683 0.0247 -0.0071 0.0179 488 VAL A N 2616 C CA . VAL A 349 ? 0.2859 0.2680 0.2947 0.0257 -0.0092 0.0253 488 VAL A CA 2617 C C . VAL A 349 ? 0.2933 0.2638 0.2844 0.0264 -0.0154 0.0364 488 VAL A C 2618 O O . VAL A 349 ? 0.3389 0.3116 0.3139 0.0218 -0.0121 0.0405 488 VAL A O 2619 C CB . VAL A 349 ? 0.2876 0.2644 0.2990 0.0174 -0.0005 0.0274 488 VAL A CB 2620 C CG1 . VAL A 349 ? 0.3013 0.2578 0.3110 0.0160 -0.0044 0.0359 488 VAL A CG1 2621 C CG2 . VAL A 349 ? 0.2681 0.2542 0.2947 0.0169 0.0039 0.0174 488 VAL A CG2 2622 N N . VAL A 350 ? 0.3409 0.2977 0.3332 0.0331 -0.0243 0.0411 489 VAL A N 2623 C CA . VAL A 350 ? 0.3303 0.2719 0.3051 0.0338 -0.0314 0.0537 489 VAL A CA 2624 C C . VAL A 350 ? 0.3711 0.2883 0.3459 0.0330 -0.0343 0.0618 489 VAL A C 2625 O O . VAL A 350 ? 0.3420 0.2529 0.3309 0.0370 -0.0355 0.0554 489 VAL A O 2626 C CB . VAL A 350 ? 0.3902 0.3365 0.3638 0.0442 -0.0442 0.0539 489 VAL A CB 2627 C CG1 . VAL A 350 ? 0.4106 0.3780 0.3818 0.0425 -0.0436 0.0471 489 VAL A CG1 2628 C CG2 . VAL A 350 ? 0.3917 0.3384 0.3857 0.0558 -0.0501 0.0474 489 VAL A CG2 2629 N N . GLN A 351 ? 0.4053 0.3072 0.3624 0.0272 -0.0357 0.0759 490 GLN A N 2630 C CA . GLN A 351 ? 0.4611 0.3363 0.4165 0.0243 -0.0399 0.0858 490 GLN A CA 2631 C C . GLN A 351 ? 0.5127 0.3689 0.4605 0.0350 -0.0547 0.0929 490 GLN A C 2632 O O . GLN A 351 ? 0.5160 0.3740 0.4480 0.0373 -0.0600 0.1004 490 GLN A O 2633 C CB . GLN A 351 ? 0.5148 0.3847 0.4575 0.0096 -0.0314 0.0994 490 GLN A CB 2634 C CG . GLN A 351 ? 0.5559 0.3975 0.4981 0.0030 -0.0361 0.1111 490 GLN A CG 2635 C CD . GLN A 351 ? 0.6676 0.5093 0.6012 -0.0132 -0.0259 0.1258 490 GLN A CD 2636 O OE1 . GLN A 351 ? 0.7563 0.6162 0.6781 -0.0169 -0.0159 0.1289 490 GLN A OE1 2637 N NE2 . GLN A 351 ? 0.7470 0.5684 0.6864 -0.0230 -0.0281 0.1348 490 GLN A NE2 2638 N N . ILE A 352 ? 0.4646 0.3012 0.4223 0.0422 -0.0622 0.0902 491 ILE A N 2639 C CA . ILE A 352 ? 0.5917 0.4069 0.5442 0.0544 -0.0768 0.0967 491 ILE A CA 2640 C C . ILE A 352 ? 0.7286 0.5139 0.6625 0.0452 -0.0815 0.1157 491 ILE A C 2641 O O . ILE A 352 ? 0.7537 0.5204 0.6889 0.0350 -0.0788 0.1197 491 ILE A O 2642 C CB . ILE A 352 ? 0.6657 0.4685 0.6343 0.0677 -0.0826 0.0853 491 ILE A CB 2643 C CG1 . ILE A 352 ? 0.6244 0.4580 0.6114 0.0749 -0.0757 0.0679 491 ILE A CG1 2644 C CG2 . ILE A 352 ? 0.7505 0.5327 0.7157 0.0833 -0.0980 0.0913 491 ILE A CG2 2645 C CD1 . ILE A 352 ? 0.5914 0.4523 0.5820 0.0824 -0.0786 0.0661 491 ILE A CD1 2646 N N . GLU A 353 ? 0.8969 0.6776 0.8130 0.0479 -0.0892 0.1281 492 GLU A N 2647 C CA . GLU A 353 ? 1.0848 0.8370 0.9801 0.0390 -0.0938 0.1486 492 GLU A CA 2648 C C . GLU A 353 ? 1.0624 0.7782 0.9596 0.0490 -0.1092 0.1534 492 GLU A C 2649 O O . GLU A 353 ? 1.0518 0.7524 0.9604 0.0458 -0.1071 0.1477 492 GLU A O 2650 C CB . GLU A 353 ? 1.2099 0.9699 1.0808 0.0379 -0.0965 0.1605 492 GLU A CB 2651 C CG . GLU A 353 ? 1.2884 1.0788 1.1519 0.0278 -0.0811 0.1565 492 GLU A CG 2652 C CD . GLU A 353 ? 1.3926 1.1877 1.2273 0.0278 -0.0850 0.1667 492 GLU A CD 2653 O OE1 . GLU A 353 ? 1.4529 1.2318 1.2767 0.0371 -0.1013 0.1756 492 GLU A OE1 2654 O OE2 . GLU A 353 ? 1.3689 1.1829 1.1907 0.0194 -0.0724 0.1654 492 GLU A OE2 2655 N N . VAL B 1 ? 1.0574 1.1180 1.1107 0.4138 0.1877 0.2051 44 VAL C N 2656 C CA . VAL B 1 ? 1.0301 1.1351 1.1239 0.4003 0.1728 0.2286 44 VAL C CA 2657 C C . VAL B 1 ? 0.9647 1.0554 1.0525 0.3739 0.1525 0.2262 44 VAL C C 2658 O O . VAL B 1 ? 1.0173 1.0562 1.0776 0.3690 0.1457 0.2119 44 VAL C O 2659 C CB . VAL B 1 ? 1.0773 1.1839 1.1897 0.4136 0.1698 0.2394 44 VAL C CB 2660 C CG1 . VAL B 1 ? 1.1282 1.1687 1.2091 0.4202 0.1680 0.2222 44 VAL C CG1 2661 C CG2 . VAL B 1 ? 1.0271 1.1739 1.1748 0.3971 0.1500 0.2601 44 VAL C CG2 2662 N N . TRP B 2 ? 0.7830 0.9192 0.8974 0.3557 0.1426 0.2405 45 TRP C N 2663 C CA . TRP B 2 ? 0.6338 0.7601 0.7431 0.3302 0.1223 0.2392 45 TRP C CA 2664 C C . TRP B 2 ? 0.5595 0.7394 0.7085 0.3126 0.1053 0.2594 45 TRP C C 2665 O O . TRP B 2 ? 0.6372 0.8629 0.8207 0.3196 0.1088 0.2751 45 TRP C O 2666 C CB . TRP B 2 ? 0.6300 0.7375 0.7140 0.3211 0.1263 0.2253 45 TRP C CB 2667 C CG . TRP B 2 ? 0.6680 0.8225 0.7722 0.3204 0.1366 0.2347 45 TRP C CG 2668 C CD1 . TRP B 2 ? 0.6173 0.8188 0.7550 0.3011 0.1258 0.2511 45 TRP C CD1 2669 C CD2 . TRP B 2 ? 0.7584 0.9164 0.8496 0.3382 0.1596 0.2282 45 TRP C CD2 2670 N NE1 . TRP B 2 ? 0.6789 0.9140 0.8290 0.3054 0.1419 0.2574 45 TRP C NE1 2671 C CE2 . TRP B 2 ? 0.7589 0.9688 0.8785 0.3286 0.1634 0.2439 45 TRP C CE2 2672 C CE3 . TRP B 2 ? 0.8734 0.9946 0.9300 0.3598 0.1763 0.2102 45 TRP C CE3 2673 C CZ2 . TRP B 2 ? 0.8475 1.0742 0.9598 0.3406 0.1849 0.2438 45 TRP C CZ2 2674 C CZ3 . TRP B 2 ? 0.9508 1.0881 0.9973 0.3721 0.1958 0.2080 45 TRP C CZ3 2675 C CH2 . TRP B 2 ? 0.9204 1.1104 0.9936 0.3629 0.2007 0.2257 45 TRP C CH2 2676 N N . LYS B 3 ? 0.5811 0.7537 0.7240 0.2888 0.0860 0.2579 46 LYS C N 2677 C CA . LYS B 3 ? 0.6285 0.8445 0.8030 0.2687 0.0657 0.2725 46 LYS C CA 2678 C C . LYS B 3 ? 0.5980 0.7980 0.7556 0.2429 0.0491 0.2655 46 LYS C C 2679 O O . LYS B 3 ? 0.5314 0.6823 0.6518 0.2403 0.0492 0.2510 46 LYS C O 2680 C CB . LYS B 3 ? 0.7168 0.9376 0.9014 0.2725 0.0530 0.2807 46 LYS C CB 2681 C CG . LYS B 3 ? 0.7556 0.9207 0.9032 0.2744 0.0486 0.2695 46 LYS C CG 2682 C CD . LYS B 3 ? 0.8410 1.0120 0.9987 0.2836 0.0402 0.2797 46 LYS C CD 2683 C CE . LYS B 3 ? 0.8117 0.9271 0.9347 0.2851 0.0380 0.2708 46 LYS C CE 2684 N NZ . LYS B 3 ? 0.6847 0.7798 0.7844 0.2611 0.0231 0.2633 46 LYS C NZ 2685 N N . ASP B 4 ? 0.5864 0.8268 0.7719 0.2229 0.0346 0.2754 47 ASP C N 2686 C CA . ASP B 4 ? 0.5823 0.8076 0.7512 0.1945 0.0179 0.2659 47 ASP C CA 2687 C C . ASP B 4 ? 0.6387 0.8330 0.7819 0.1888 0.0012 0.2612 47 ASP C C 2688 O O . ASP B 4 ? 0.6729 0.8819 0.8280 0.1924 -0.0094 0.2689 47 ASP C O 2689 C CB . ASP B 4 ? 0.6786 0.9524 0.8858 0.1735 0.0039 0.2768 47 ASP C CB 2690 C CG . ASP B 4 ? 0.7607 1.0609 0.9894 0.1737 0.0213 0.2817 47 ASP C CG 2691 O OD1 . ASP B 4 ? 0.8324 1.1254 1.0527 0.1964 0.0446 0.2807 47 ASP C OD1 2692 O OD2 . ASP B 4 ? 0.7243 1.0512 0.9775 0.1515 0.0120 0.2867 47 ASP C OD2 2693 N N . ALA B 5 ? 0.6337 0.7829 0.7385 0.1754 0.0004 0.2432 48 ALA C N 2694 C CA . ALA B 5 ? 0.5604 0.6786 0.6382 0.1699 -0.0120 0.2391 48 ALA C CA 2695 C C . ALA B 5 ? 0.5810 0.6660 0.6277 0.1474 -0.0160 0.2209 48 ALA C C 2696 O O . ALA B 5 ? 0.6342 0.7101 0.6743 0.1404 -0.0063 0.2095 48 ALA C O 2697 C CB . ALA B 5 ? 0.6155 0.7004 0.6771 0.1914 0.0000 0.2380 48 ALA C CB 2698 N N . ASP B 6 ? 0.5617 0.6305 0.5888 0.1375 -0.0298 0.2192 49 ASP C N 2699 C CA . ASP B 6 ? 0.5383 0.5752 0.5357 0.1190 -0.0324 0.2031 49 ASP C CA 2700 C C . ASP B 6 ? 0.5230 0.5167 0.4919 0.1266 -0.0253 0.1993 49 ASP C C 2701 O O . ASP B 6 ? 0.5147 0.5055 0.4834 0.1400 -0.0269 0.2106 49 ASP C O 2702 C CB . ASP B 6 ? 0.5918 0.6442 0.5876 0.1001 -0.0532 0.2028 49 ASP C CB 2703 C CG . ASP B 6 ? 0.6286 0.7206 0.6558 0.0889 -0.0619 0.2062 49 ASP C CG 2704 O OD1 . ASP B 6 ? 0.5733 0.6754 0.6172 0.0912 -0.0492 0.2059 49 ASP C OD1 2705 O OD2 . ASP B 6 ? 0.7026 0.8152 0.7374 0.0775 -0.0817 0.2091 49 ASP C OD2 2706 N N . THR B 7 ? 0.5144 0.4752 0.4617 0.1172 -0.0177 0.1837 50 THR C N 2707 C CA . THR B 7 ? 0.6301 0.5497 0.5543 0.1205 -0.0111 0.1799 50 THR C CA 2708 C C . THR B 7 ? 0.5920 0.4886 0.4963 0.1018 -0.0107 0.1642 50 THR C C 2709 O O . THR B 7 ? 0.5451 0.4545 0.4522 0.0890 -0.0140 0.1554 50 THR C O 2710 C CB . THR B 7 ? 0.6862 0.5828 0.6117 0.1390 0.0047 0.1780 50 THR C CB 2711 O OG1 . THR B 7 ? 0.7270 0.5848 0.6359 0.1420 0.0090 0.1784 50 THR C OG1 2712 C CG2 . THR B 7 ? 0.7536 0.6414 0.6754 0.1350 0.0142 0.1610 50 THR C CG2 2713 N N . THR B 8 ? 0.5973 0.4606 0.4838 0.1008 -0.0063 0.1623 51 THR C N 2714 C CA . THR B 8 ? 0.5878 0.4303 0.4586 0.0845 -0.0048 0.1490 51 THR C CA 2715 C C . THR B 8 ? 0.5793 0.4049 0.4503 0.0837 0.0049 0.1336 51 THR C C 2716 O O . THR B 8 ? 0.5710 0.3714 0.4404 0.0935 0.0137 0.1310 51 THR C O 2717 C CB . THR B 8 ? 0.6204 0.4359 0.4761 0.0833 -0.0020 0.1546 51 THR C CB 2718 O OG1 . THR B 8 ? 0.8093 0.6065 0.6713 0.0970 0.0058 0.1599 51 THR C OG1 2719 C CG2 . THR B 8 ? 0.6203 0.4550 0.4696 0.0799 -0.0133 0.1648 51 THR C CG2 2720 N N . LEU B 9 ? 0.5736 0.4119 0.4453 0.0725 0.0023 0.1232 52 LEU C N 2721 C CA . LEU B 9 ? 0.4892 0.3150 0.3576 0.0715 0.0094 0.1086 52 LEU C CA 2722 C C . LEU B 9 ? 0.5446 0.3439 0.4006 0.0592 0.0103 0.0977 52 LEU C C 2723 O O . LEU B 9 ? 0.5280 0.3252 0.3788 0.0495 0.0061 0.1013 52 LEU C O 2724 C CB . LEU B 9 ? 0.4940 0.3464 0.3695 0.0657 0.0066 0.1052 52 LEU C CB 2725 C CG . LEU B 9 ? 0.5622 0.4485 0.4565 0.0733 0.0044 0.1178 52 LEU C CG 2726 C CD1 . LEU B 9 ? 0.5210 0.4298 0.4234 0.0638 0.0020 0.1158 52 LEU C CD1 2727 C CD2 . LEU B 9 ? 0.5390 0.4249 0.4397 0.0936 0.0148 0.1216 52 LEU C CD2 2728 N N . PHE B 10 ? 0.5153 0.2956 0.3668 0.0602 0.0157 0.0843 53 PHE C N 2729 C CA . PHE B 10 ? 0.4285 0.1902 0.2735 0.0467 0.0150 0.0729 53 PHE C CA 2730 C C . PHE B 10 ? 0.4554 0.2274 0.2975 0.0415 0.0131 0.0602 53 PHE C C 2731 O O . PHE B 10 ? 0.5096 0.2962 0.3524 0.0504 0.0151 0.0594 53 PHE C O 2732 C CB . PHE B 10 ? 0.5416 0.2685 0.3849 0.0495 0.0201 0.0677 53 PHE C CB 2733 C CG . PHE B 10 ? 0.5722 0.2853 0.4118 0.0609 0.0242 0.0552 53 PHE C CG 2734 C CD1 . PHE B 10 ? 0.6294 0.3397 0.4707 0.0794 0.0297 0.0611 53 PHE C CD1 2735 C CD2 . PHE B 10 ? 0.5316 0.2346 0.3647 0.0546 0.0222 0.0372 53 PHE C CD2 2736 C CE1 . PHE B 10 ? 0.6811 0.3772 0.5156 0.0922 0.0347 0.0482 53 PHE C CE1 2737 C CE2 . PHE B 10 ? 0.5975 0.2865 0.4219 0.0664 0.0252 0.0237 53 PHE C CE2 2738 C CZ . PHE B 10 ? 0.6497 0.3340 0.4736 0.0857 0.0322 0.0287 53 PHE C CZ 2739 N N . CYS B 11 ? 0.4584 0.2248 0.2978 0.0282 0.0100 0.0520 54 CYS C N 2740 C CA . CYS B 11 ? 0.4536 0.2305 0.2898 0.0237 0.0072 0.0417 54 CYS C CA 2741 C C . CYS B 11 ? 0.4818 0.2387 0.3127 0.0218 0.0069 0.0260 54 CYS C C 2742 O O . CYS B 11 ? 0.4705 0.2049 0.3042 0.0175 0.0076 0.0227 54 CYS C O 2743 C CB . CYS B 11 ? 0.4223 0.2135 0.2608 0.0114 0.0022 0.0441 54 CYS C CB 2744 S SG . CYS B 11 ? 0.5282 0.3050 0.3687 -0.0010 0.0020 0.0430 54 CYS C SG 2745 N N . ALA B 12 ? 0.4706 0.2361 0.2942 0.0247 0.0052 0.0170 55 ALA C N 2746 C CA . ALA B 12 ? 0.4565 0.2065 0.2724 0.0229 0.0017 0.0001 55 ALA C CA 2747 C C . ALA B 12 ? 0.4132 0.1806 0.2256 0.0169 -0.0041 -0.0048 55 ALA C C 2748 O O . ALA B 12 ? 0.4804 0.2694 0.2917 0.0200 -0.0028 0.0033 55 ALA C O 2749 C CB . ALA B 12 ? 0.5043 0.2421 0.3077 0.0386 0.0058 -0.0086 55 ALA C CB 2750 N N . SER B 13 ? 0.5044 0.2630 0.3177 0.0080 -0.0108 -0.0169 56 SER C N 2751 C CA . SER B 13 ? 0.4431 0.2181 0.2540 0.0033 -0.0174 -0.0210 56 SER C CA 2752 C C . SER B 13 ? 0.5294 0.2932 0.3373 -0.0015 -0.0264 -0.0384 56 SER C C 2753 O O . SER B 13 ? 0.6051 0.3459 0.4145 -0.0031 -0.0277 -0.0479 56 SER C O 2754 C CB . SER B 13 ? 0.4868 0.2746 0.3118 -0.0076 -0.0182 -0.0111 56 SER C CB 2755 O OG . SER B 13 ? 0.5525 0.3309 0.3903 -0.0190 -0.0214 -0.0160 56 SER C OG 2756 N N . ASP B 14 ? 0.5460 0.3258 0.3510 -0.0039 -0.0338 -0.0422 57 ASP C N 2757 C CA . ASP B 14 ? 0.5537 0.3286 0.3579 -0.0095 -0.0455 -0.0585 57 ASP C CA 2758 C C . ASP B 14 ? 0.6240 0.4114 0.4505 -0.0233 -0.0509 -0.0551 57 ASP C C 2759 O O . ASP B 14 ? 0.5926 0.3917 0.4199 -0.0262 -0.0614 -0.0625 57 ASP C O 2760 C CB . ASP B 14 ? 0.6403 0.4260 0.4205 0.0017 -0.0510 -0.0662 57 ASP C CB 2761 C CG . ASP B 14 ? 0.8084 0.5824 0.5653 0.0173 -0.0445 -0.0714 57 ASP C CG 2762 O OD1 . ASP B 14 ? 0.8532 0.6029 0.6109 0.0180 -0.0424 -0.0793 57 ASP C OD1 2763 O OD2 . ASP B 14 ? 0.8644 0.6536 0.6030 0.0298 -0.0404 -0.0663 57 ASP C OD2 2764 N N . ALA B 15 ? 0.4302 0.2166 0.2738 -0.0304 -0.0434 -0.0433 58 ALA C N 2765 C CA . ALA B 15 ? 0.4778 0.2771 0.3424 -0.0412 -0.0449 -0.0383 58 ALA C CA 2766 C C . ALA B 15 ? 0.4996 0.2943 0.3822 -0.0528 -0.0537 -0.0494 58 ALA C C 2767 O O . ALA B 15 ? 0.5083 0.2821 0.3903 -0.0555 -0.0567 -0.0594 58 ALA C O 2768 C CB . ALA B 15 ? 0.4760 0.2733 0.3498 -0.0442 -0.0339 -0.0243 58 ALA C CB 2769 N N . LYS B 16 ? 0.4644 0.2784 0.3651 -0.0598 -0.0582 -0.0475 59 LYS C N 2770 C CA . LYS B 16 ? 0.5806 0.3968 0.5055 -0.0725 -0.0674 -0.0561 59 LYS C CA 2771 C C . LYS B 16 ? 0.5344 0.3529 0.4872 -0.0833 -0.0575 -0.0445 59 LYS C C 2772 O O . LYS B 16 ? 0.5133 0.3454 0.4693 -0.0804 -0.0483 -0.0321 59 LYS C O 2773 C CB . LYS B 16 ? 0.6370 0.4778 0.5659 -0.0719 -0.0805 -0.0619 59 LYS C CB 2774 C CG . LYS B 16 ? 0.8429 0.6790 0.7524 -0.0676 -0.0959 -0.0793 59 LYS C CG 2775 C CD . LYS B 16 ? 0.9936 0.8176 0.8672 -0.0524 -0.0905 -0.0800 59 LYS C CD 2776 C CE . LYS B 16 ? 1.0792 0.8955 0.9291 -0.0465 -0.1040 -0.0988 59 LYS C CE 2777 N NZ . LYS B 16 ? 1.0636 0.8694 0.8800 -0.0303 -0.0957 -0.0983 59 LYS C NZ 2778 N N . ALA B 17 ? 0.5221 0.3264 0.4946 -0.0953 -0.0590 -0.0487 60 ALA C N 2779 C CA . ALA B 17 ? 0.5924 0.3968 0.5908 -0.1053 -0.0471 -0.0353 60 ALA C CA 2780 C C . ALA B 17 ? 0.6324 0.4671 0.6597 -0.1121 -0.0470 -0.0292 60 ALA C C 2781 O O . ALA B 17 ? 0.7411 0.5836 0.7827 -0.1146 -0.0331 -0.0147 60 ALA C O 2782 C CB . ALA B 17 ? 0.6154 0.3938 0.6294 -0.1170 -0.0485 -0.0399 60 ALA C CB 2783 N N . HIS B 18 ? 0.5041 0.3572 0.5390 -0.1134 -0.0621 -0.0398 61 HIS C N 2784 C CA . HIS B 18 ? 0.5951 0.4798 0.6619 -0.1190 -0.0637 -0.0346 61 HIS C CA 2785 C C . HIS B 18 ? 0.6013 0.5066 0.6565 -0.1054 -0.0580 -0.0264 61 HIS C C 2786 O O . HIS B 18 ? 0.6145 0.5459 0.6943 -0.1063 -0.0559 -0.0200 61 HIS C O 2787 C CB . HIS B 18 ? 0.7343 0.6313 0.8195 -0.1278 -0.0850 -0.0495 61 HIS C CB 2788 C CG . HIS B 18 ? 0.7943 0.6887 0.8467 -0.1168 -0.1000 -0.0634 61 HIS C CG 2789 N ND1 . HIS B 18 ? 0.8251 0.7403 0.8634 -0.1038 -0.1026 -0.0599 61 HIS C ND1 2790 C CD2 . HIS B 18 ? 0.8215 0.6943 0.8509 -0.1157 -0.1120 -0.0800 61 HIS C CD2 2791 C CE1 . HIS B 18 ? 0.8099 0.7185 0.8181 -0.0955 -0.1150 -0.0718 61 HIS C CE1 2792 N NE2 . HIS B 18 ? 0.8372 0.7207 0.8381 -0.1019 -0.1207 -0.0850 61 HIS C NE2 2793 N N . GLU B 19 ? 0.5676 0.4605 0.5875 -0.0928 -0.0553 -0.0263 62 GLU C N 2794 C CA . GLU B 19 ? 0.4101 0.3166 0.4176 -0.0805 -0.0514 -0.0196 62 GLU C CA 2795 C C . GLU B 19 ? 0.4605 0.3686 0.4714 -0.0779 -0.0340 -0.0066 62 GLU C C 2796 O O . GLU B 19 ? 0.5088 0.4016 0.5161 -0.0813 -0.0236 -0.0013 62 GLU C O 2797 C CB . GLU B 19 ? 0.4641 0.3577 0.4364 -0.0696 -0.0545 -0.0229 62 GLU C CB 2798 C CG . GLU B 19 ? 0.6617 0.5669 0.6249 -0.0637 -0.0694 -0.0307 62 GLU C CG 2799 C CD . GLU B 19 ? 0.6902 0.6167 0.6597 -0.0560 -0.0699 -0.0233 62 GLU C CD 2800 O OE1 . GLU B 19 ? 0.8067 0.7458 0.7708 -0.0504 -0.0820 -0.0269 62 GLU C OE1 2801 O OE2 . GLU B 19 ? 0.4576 0.3871 0.4355 -0.0543 -0.0580 -0.0139 62 GLU C OE2 2802 N N . THR B 20 ? 0.3975 0.3234 0.4135 -0.0704 -0.0310 -0.0016 63 THR C N 2803 C CA . THR B 20 ? 0.4358 0.3618 0.4487 -0.0650 -0.0153 0.0080 63 THR C CA 2804 C C . THR B 20 ? 0.4282 0.3414 0.4103 -0.0542 -0.0138 0.0088 63 THR C C 2805 O O . THR B 20 ? 0.4108 0.3191 0.3830 -0.0490 -0.0031 0.0140 63 THR C O 2806 C CB . THR B 20 ? 0.4867 0.4387 0.5262 -0.0622 -0.0105 0.0129 63 THR C CB 2807 O OG1 . THR B 20 ? 0.5629 0.5265 0.6009 -0.0535 -0.0207 0.0097 63 THR C OG1 2808 C CG2 . THR B 20 ? 0.4863 0.4552 0.5631 -0.0748 -0.0121 0.0138 63 THR C CG2 2809 N N . GLU B 21 ? 0.3539 0.2621 0.3210 -0.0509 -0.0248 0.0035 64 GLU C N 2810 C CA . GLU B 21 ? 0.3406 0.2372 0.2829 -0.0429 -0.0240 0.0056 64 GLU C CA 2811 C C . GLU B 21 ? 0.3616 0.2405 0.2887 -0.0449 -0.0165 0.0083 64 GLU C C 2812 O O . GLU B 21 ? 0.3628 0.2333 0.2899 -0.0505 -0.0169 0.0064 64 GLU C O 2813 C CB . GLU B 21 ? 0.3374 0.2342 0.2679 -0.0392 -0.0353 0.0017 64 GLU C CB 2814 C CG . GLU B 21 ? 0.3868 0.2769 0.2993 -0.0314 -0.0346 0.0066 64 GLU C CG 2815 C CD . GLU B 21 ? 0.4558 0.3303 0.3520 -0.0324 -0.0300 0.0085 64 GLU C CD 2816 O OE1 . GLU B 21 ? 0.4242 0.2927 0.3158 -0.0354 -0.0312 0.0049 64 GLU C OE1 2817 O OE2 . GLU B 21 ? 0.4136 0.2816 0.3025 -0.0298 -0.0260 0.0132 64 GLU C OE2 2818 N N . VAL B 22 ? 0.4005 0.2730 0.3147 -0.0399 -0.0108 0.0123 65 VAL C N 2819 C CA . VAL B 22 ? 0.4263 0.2862 0.3275 -0.0409 -0.0039 0.0160 65 VAL C CA 2820 C C . VAL B 22 ? 0.3942 0.2429 0.2827 -0.0418 -0.0077 0.0161 65 VAL C C 2821 O O . VAL B 22 ? 0.3511 0.1913 0.2358 -0.0441 -0.0032 0.0193 65 VAL C O 2822 C CB . VAL B 22 ? 0.3539 0.2096 0.2426 -0.0353 0.0005 0.0179 65 VAL C CB 2823 C CG1 . VAL B 22 ? 0.3747 0.2399 0.2742 -0.0324 0.0086 0.0184 65 VAL C CG1 2824 C CG2 . VAL B 22 ? 0.3806 0.2332 0.2618 -0.0311 -0.0068 0.0164 65 VAL C CG2 2825 N N . HIS B 23 ? 0.3321 0.1816 0.2145 -0.0387 -0.0148 0.0142 66 HIS C N 2826 C CA . HIS B 23 ? 0.4017 0.2438 0.2739 -0.0374 -0.0169 0.0147 66 HIS C CA 2827 C C . HIS B 23 ? 0.3862 0.2233 0.2635 -0.0407 -0.0179 0.0097 66 HIS C C 2828 O O . HIS B 23 ? 0.3645 0.1908 0.2364 -0.0403 -0.0154 0.0111 66 HIS C O 2829 C CB . HIS B 23 ? 0.3882 0.2351 0.2538 -0.0325 -0.0221 0.0154 66 HIS C CB 2830 C CG . HIS B 23 ? 0.4353 0.2825 0.2975 -0.0307 -0.0219 0.0207 66 HIS C CG 2831 N ND1 . HIS B 23 ? 0.3739 0.2242 0.2410 -0.0296 -0.0228 0.0206 66 HIS C ND1 2832 C CD2 . HIS B 23 ? 0.4167 0.2606 0.2729 -0.0303 -0.0219 0.0257 66 HIS C CD2 2833 C CE1 . HIS B 23 ? 0.4035 0.2488 0.2664 -0.0290 -0.0234 0.0243 66 HIS C CE1 2834 N NE2 . HIS B 23 ? 0.3835 0.2263 0.2408 -0.0304 -0.0236 0.0275 66 HIS C NE2 2835 N N . ASN B 24 ? 0.3724 0.2168 0.2615 -0.0439 -0.0226 0.0036 67 ASN C N 2836 C CA . ASN B 24 ? 0.3700 0.2080 0.2671 -0.0494 -0.0257 -0.0033 67 ASN C CA 2837 C C . ASN B 24 ? 0.3977 0.2265 0.3052 -0.0560 -0.0177 0.0014 67 ASN C C 2838 O O . ASN B 24 ? 0.3815 0.1947 0.2878 -0.0580 -0.0167 -0.0001 67 ASN C O 2839 C CB . ASN B 24 ? 0.3841 0.2355 0.2952 -0.0529 -0.0345 -0.0106 67 ASN C CB 2840 C CG . ASN B 24 ? 0.4309 0.2873 0.3279 -0.0460 -0.0440 -0.0168 67 ASN C CG 2841 O OD1 . ASN B 24 ? 0.4726 0.3215 0.3624 -0.0459 -0.0505 -0.0262 67 ASN C OD1 2842 N ND2 . ASN B 24 ? 0.3842 0.2517 0.2757 -0.0395 -0.0446 -0.0112 67 ASN C ND2 2843 N N . VAL B 25 ? 0.3595 0.1970 0.2764 -0.0581 -0.0109 0.0080 68 VAL C N 2844 C CA . VAL B 25 ? 0.4489 0.2806 0.3746 -0.0633 -0.0009 0.0156 68 VAL C CA 2845 C C . VAL B 25 ? 0.3938 0.2098 0.3019 -0.0592 0.0041 0.0222 68 VAL C C 2846 O O . VAL B 25 ? 0.3838 0.1863 0.2962 -0.0628 0.0081 0.0260 68 VAL C O 2847 C CB . VAL B 25 ? 0.3810 0.2271 0.3147 -0.0627 0.0075 0.0220 68 VAL C CB 2848 C CG1 . VAL B 25 ? 0.4184 0.2590 0.3554 -0.0657 0.0202 0.0327 68 VAL C CG1 2849 C CG2 . VAL B 25 ? 0.3915 0.2561 0.3491 -0.0666 0.0032 0.0175 68 VAL C CG2 2850 N N . TRP B 26 ? 0.3962 0.2138 0.2862 -0.0517 0.0032 0.0241 69 TRP C N 2851 C CA . TRP B 26 ? 0.3671 0.1745 0.2418 -0.0470 0.0057 0.0307 69 TRP C CA 2852 C C . TRP B 26 ? 0.4284 0.2233 0.3017 -0.0453 0.0025 0.0280 69 TRP C C 2853 O O . TRP B 26 ? 0.4327 0.2146 0.3047 -0.0446 0.0070 0.0340 69 TRP C O 2854 C CB . TRP B 26 ? 0.3380 0.1517 0.1983 -0.0412 0.0024 0.0318 69 TRP C CB 2855 C CG . TRP B 26 ? 0.4105 0.2184 0.2581 -0.0367 0.0027 0.0388 69 TRP C CG 2856 C CD1 . TRP B 26 ? 0.5012 0.3068 0.3388 -0.0349 0.0070 0.0465 69 TRP C CD1 2857 C CD2 . TRP B 26 ? 0.4193 0.2255 0.2630 -0.0320 -0.0017 0.0396 69 TRP C CD2 2858 N NE1 . TRP B 26 ? 0.4563 0.2595 0.2852 -0.0300 0.0038 0.0520 69 TRP C NE1 2859 C CE2 . TRP B 26 ? 0.4887 0.2928 0.3232 -0.0281 -0.0009 0.0482 69 TRP C CE2 2860 C CE3 . TRP B 26 ? 0.4209 0.2287 0.2671 -0.0294 -0.0056 0.0345 69 TRP C CE3 2861 C CZ2 . TRP B 26 ? 0.4614 0.2671 0.2939 -0.0222 -0.0041 0.0523 69 TRP C CZ2 2862 C CZ3 . TRP B 26 ? 0.5149 0.3233 0.3572 -0.0229 -0.0067 0.0385 69 TRP C CZ3 2863 C CH2 . TRP B 26 ? 0.4585 0.2666 0.2963 -0.0196 -0.0060 0.0476 69 TRP C CH2 2864 N N . ALA B 27 ? 0.3902 0.1882 0.2623 -0.0431 -0.0046 0.0192 70 ALA C N 2865 C CA . ALA B 27 ? 0.3783 0.1646 0.2452 -0.0387 -0.0070 0.0144 70 ALA C CA 2866 C C . ALA B 27 ? 0.5373 0.3069 0.4151 -0.0446 -0.0066 0.0094 70 ALA C C 2867 O O . ALA B 27 ? 0.4604 0.2131 0.3337 -0.0403 -0.0057 0.0075 70 ALA C O 2868 C CB . ALA B 27 ? 0.4185 0.2137 0.2786 -0.0339 -0.0136 0.0066 70 ALA C CB 2869 N N . THR B 28 ? 0.3738 0.1478 0.2679 -0.0544 -0.0070 0.0075 71 THR C N 2870 C CA . THR B 28 ? 0.4308 0.1897 0.3412 -0.0634 -0.0074 0.0035 71 THR C CA 2871 C C . THR B 28 ? 0.5123 0.2537 0.4249 -0.0639 0.0025 0.0158 71 THR C C 2872 O O . THR B 28 ? 0.4496 0.1684 0.3670 -0.0658 0.0023 0.0130 71 THR C O 2873 C CB . THR B 28 ? 0.4826 0.2560 0.4161 -0.0747 -0.0097 0.0012 71 THR C CB 2874 O OG1 . THR B 28 ? 0.4963 0.2833 0.4279 -0.0735 -0.0210 -0.0109 71 THR C OG1 2875 C CG2 . THR B 28 ? 0.5074 0.2655 0.4635 -0.0867 -0.0095 -0.0004 71 THR C CG2 2876 N N . HIS B 29 ? 0.4839 0.2342 0.3911 -0.0613 0.0106 0.0294 72 HIS C N 2877 C CA . HIS B 29 ? 0.5236 0.2600 0.4303 -0.0605 0.0202 0.0439 72 HIS C CA 2878 C C . HIS B 29 ? 0.5012 0.2323 0.3875 -0.0481 0.0211 0.0506 72 HIS C C 2879 O O . HIS B 29 ? 0.5207 0.2370 0.4052 -0.0448 0.0271 0.0620 72 HIS C O 2880 C CB . HIS B 29 ? 0.5734 0.3223 0.4864 -0.0651 0.0299 0.0561 72 HIS C CB 2881 C CG . HIS B 29 ? 0.5232 0.2904 0.4185 -0.0580 0.0305 0.0586 72 HIS C CG 2882 N ND1 . HIS B 29 ? 0.6778 0.4437 0.5518 -0.0485 0.0311 0.0659 72 HIS C ND1 2883 C CD2 . HIS B 29 ? 0.5781 0.3640 0.4748 -0.0588 0.0296 0.0541 72 HIS C CD2 2884 C CE1 . HIS B 29 ? 0.5929 0.3740 0.4554 -0.0452 0.0297 0.0643 72 HIS C CE1 2885 N NE2 . HIS B 29 ? 0.6223 0.4143 0.4977 -0.0506 0.0297 0.0573 72 HIS C NE2 2886 N N . ALA B 30 ? 0.4255 0.1697 0.2991 -0.0411 0.0149 0.0451 73 ALA C N 2887 C CA . ALA B 30 ? 0.4867 0.2323 0.3459 -0.0303 0.0145 0.0522 73 ALA C CA 2888 C C . ALA B 30 ? 0.5044 0.2437 0.3602 -0.0221 0.0105 0.0449 73 ALA C C 2889 O O . ALA B 30 ? 0.4709 0.2104 0.3198 -0.0123 0.0111 0.0519 73 ALA C O 2890 C CB . ALA B 30 ? 0.4648 0.2308 0.3140 -0.0285 0.0117 0.0546 73 ALA C CB 2891 N N . CYS B 31 ? 0.4194 0.1550 0.2794 -0.0250 0.0062 0.0310 74 CYS C N 2892 C CA . CYS B 31 ? 0.4333 0.1630 0.2860 -0.0155 0.0037 0.0225 74 CYS C CA 2893 C C . CYS B 31 ? 0.4468 0.1518 0.3042 -0.0179 0.0023 0.0105 74 CYS C C 2894 O O . CYS B 31 ? 0.5215 0.2178 0.3917 -0.0297 0.0015 0.0079 74 CYS C O 2895 C CB . CYS B 31 ? 0.5176 0.2676 0.3641 -0.0135 -0.0016 0.0155 74 CYS C CB 2896 S SG . CYS B 31 ? 0.4887 0.2640 0.3318 -0.0117 -0.0019 0.0271 74 CYS C SG 2897 N N . VAL B 32 ? 0.4603 0.1542 0.3081 -0.0065 0.0021 0.0029 75 VAL C N 2898 C CA . VAL B 32 ? 0.4849 0.1526 0.3324 -0.0070 -0.0013 -0.0130 75 VAL C CA 2899 C C . VAL B 32 ? 0.5072 0.1850 0.3418 -0.0034 -0.0086 -0.0294 75 VAL C C 2900 O O . VAL B 32 ? 0.4974 0.2002 0.3238 0.0021 -0.0083 -0.0251 75 VAL C O 2901 C CB . VAL B 32 ? 0.5879 0.2306 0.4303 0.0065 0.0047 -0.0112 75 VAL C CB 2902 C CG1 . VAL B 32 ? 0.5998 0.2284 0.4547 0.0028 0.0112 0.0055 75 VAL C CG1 2903 C CG2 . VAL B 32 ? 0.5978 0.2580 0.4275 0.0238 0.0089 -0.0060 75 VAL C CG2 2904 N N . PRO B 33 ? 0.5532 0.2115 0.3859 -0.0070 -0.0158 -0.0478 76 PRO C N 2905 C CA . PRO B 33 ? 0.5755 0.2424 0.3902 -0.0008 -0.0233 -0.0639 76 PRO C CA 2906 C C . PRO B 33 ? 0.6140 0.2846 0.4073 0.0197 -0.0163 -0.0635 76 PRO C C 2907 O O . PRO B 33 ? 0.6242 0.2809 0.4173 0.0298 -0.0078 -0.0570 76 PRO C O 2908 C CB . PRO B 33 ? 0.6531 0.2914 0.4693 -0.0076 -0.0329 -0.0846 76 PRO C CB 2909 C CG . PRO B 33 ? 0.7297 0.3580 0.5740 -0.0251 -0.0326 -0.0766 76 PRO C CG 2910 C CD . PRO B 33 ? 0.6539 0.2854 0.5034 -0.0201 -0.0193 -0.0542 76 PRO C CD 2911 N N . THR B 34 ? 0.6665 0.3572 0.4431 0.0267 -0.0192 -0.0687 77 THR C N 2912 C CA . THR B 34 ? 0.6194 0.3187 0.3770 0.0465 -0.0108 -0.0664 77 THR C CA 2913 C C . THR B 34 ? 0.7370 0.4075 0.4756 0.0601 -0.0100 -0.0849 77 THR C C 2914 O O . THR B 34 ? 0.8078 0.4532 0.5442 0.0529 -0.0197 -0.1034 77 THR C O 2915 C CB . THR B 34 ? 0.6692 0.3979 0.4134 0.0504 -0.0127 -0.0647 77 THR C CB 2916 O OG1 . THR B 34 ? 0.6730 0.3958 0.4043 0.0463 -0.0251 -0.0836 77 THR C OG1 2917 C CG2 . THR B 34 ? 0.5778 0.3317 0.3398 0.0392 -0.0127 -0.0469 77 THR C CG2 2918 N N . ASP B 35 ? 0.8242 0.4989 0.5507 0.0800 0.0016 -0.0801 78 ASP C N 2919 C CA . ASP B 35 ? 0.8547 0.5031 0.5592 0.0976 0.0047 -0.0979 78 ASP C CA 2920 C C . ASP B 35 ? 0.8319 0.4885 0.5060 0.1055 -0.0007 -0.1145 78 ASP C C 2921 O O . ASP B 35 ? 0.8102 0.4985 0.4747 0.1142 0.0055 -0.1037 78 ASP C O 2922 C CB . ASP B 35 ? 0.9355 0.5900 0.6402 0.1182 0.0208 -0.0844 78 ASP C CB 2923 C CG . ASP B 35 ? 1.1090 0.7278 0.7967 0.1368 0.0258 -0.1016 78 ASP C CG 2924 O OD1 . ASP B 35 ? 1.1776 0.7728 0.8427 0.1384 0.0175 -0.1267 78 ASP C OD1 2925 O OD2 . ASP B 35 ? 1.0926 0.7065 0.7894 0.1505 0.0373 -0.0904 78 ASP C OD2 2926 N N . PRO B 36 ? 1.0063 0.6345 0.6656 0.1022 -0.0131 -0.1403 79 PRO C N 2927 C CA . PRO B 36 ? 1.0876 0.7248 0.7167 0.1093 -0.0210 -0.1574 79 PRO C CA 2928 C C . PRO B 36 ? 1.1660 0.8106 0.7694 0.1356 -0.0073 -0.1588 79 PRO C C 2929 O O . PRO B 36 ? 1.2383 0.9062 0.8197 0.1443 -0.0077 -0.1608 79 PRO C O 2930 C CB . PRO B 36 ? 1.1470 0.7631 0.7878 0.0940 -0.0364 -0.1784 79 PRO C CB 2931 C CG . PRO B 36 ? 1.1279 0.7131 0.7908 0.0906 -0.0307 -0.1763 79 PRO C CG 2932 C CD . PRO B 36 ? 1.0407 0.6314 0.7162 0.0895 -0.0209 -0.1525 79 PRO C CD 2933 N N . ASN B 37 ? 1.1746 0.8015 0.7829 0.1487 0.0055 -0.1556 80 ASN C N 2934 C CA . ASN B 37 ? 1.2463 0.8816 0.8349 0.1748 0.0205 -0.1551 80 ASN C CA 2935 C C . ASN B 37 ? 1.2382 0.8831 0.8379 0.1899 0.0397 -0.1326 80 ASN C C 2936 O O . ASN B 37 ? 1.2950 0.9207 0.9047 0.1998 0.0476 -0.1320 80 ASN C O 2937 C CB . ASN B 37 ? 1.3130 0.9182 0.8958 0.1800 0.0173 -0.1769 80 ASN C CB 2938 C CG . ASN B 37 ? 1.4020 1.0192 0.9540 0.2012 0.0241 -0.1860 80 ASN C CG 2939 O OD1 . ASN B 37 ? 1.4810 1.1065 1.0139 0.1974 0.0134 -0.1991 80 ASN C OD1 2940 N ND2 . ASN B 37 ? 1.4130 1.0326 0.9609 0.2242 0.0423 -0.1779 80 ASN C ND2 2941 N N . PRO B 38 ? 1.1242 0.8091 0.7347 0.1869 0.0457 -0.1094 81 PRO C N 2942 C CA . PRO B 38 ? 1.0908 0.8011 0.7285 0.1927 0.0602 -0.0821 81 PRO C CA 2943 C C . PRO B 38 ? 1.1257 0.8455 0.7484 0.2231 0.0792 -0.0795 81 PRO C C 2944 O O . PRO B 38 ? 1.1896 0.9147 0.7792 0.2387 0.0840 -0.0905 81 PRO C O 2945 C CB . PRO B 38 ? 0.9814 0.7323 0.6335 0.1784 0.0582 -0.0617 81 PRO C CB 2946 C CG . PRO B 38 ? 1.0873 0.8416 0.7085 0.1792 0.0512 -0.0760 81 PRO C CG 2947 C CD . PRO B 38 ? 1.1404 0.8526 0.7430 0.1759 0.0378 -0.1058 81 PRO C CD 2948 N N . GLN B 39 ? 1.0735 0.7975 0.7199 0.2327 0.0903 -0.0641 82 GLN C N 2949 C CA . GLN B 39 ? 1.1500 0.8843 0.7877 0.2632 0.1099 -0.0601 82 GLN C CA 2950 C C . GLN B 39 ? 1.0547 0.8394 0.7233 0.2668 0.1226 -0.0279 82 GLN C C 2951 O O . GLN B 39 ? 1.1409 0.9350 0.8441 0.2570 0.1203 -0.0103 82 GLN C O 2952 C CB . GLN B 39 ? 1.2902 0.9852 0.9300 0.2762 0.1127 -0.0710 82 GLN C CB 2953 C CG . GLN B 39 ? 1.3962 1.0514 1.0148 0.2689 0.0989 -0.1006 82 GLN C CG 2954 C CD . GLN B 39 ? 1.4842 1.1511 1.0718 0.2808 0.1015 -0.1140 82 GLN C CD 2955 O OE1 . GLN B 39 ? 1.4855 1.1716 1.0678 0.3031 0.1173 -0.1065 82 GLN C OE1 2956 N NE2 . GLN B 39 ? 1.5012 1.1586 1.0695 0.2660 0.0856 -0.1325 82 GLN C NE2 2957 N N . GLU B 40 ? 0.9897 0.8075 0.6457 0.2806 0.1356 -0.0199 83 GLU C N 2958 C CA . GLU B 40 ? 0.8625 0.7302 0.5498 0.2853 0.1492 0.0107 83 GLU C CA 2959 C C . GLU B 40 ? 0.8985 0.7783 0.5779 0.3196 0.1721 0.0137 83 GLU C C 2960 O O . GLU B 40 ? 0.9338 0.8063 0.5823 0.3304 0.1745 0.0001 83 GLU C O 2961 C CB . GLU B 40 ? 0.8246 0.7263 0.5115 0.2723 0.1484 0.0240 83 GLU C CB 2962 C CG . GLU B 40 ? 0.8700 0.8235 0.5924 0.2746 0.1620 0.0562 83 GLU C CG 2963 C CD . GLU B 40 ? 0.9016 0.8835 0.6257 0.2601 0.1607 0.0703 83 GLU C CD 2964 O OE1 . GLU B 40 ? 0.9715 0.9346 0.6658 0.2517 0.1502 0.0551 83 GLU C OE1 2965 O OE2 . GLU B 40 ? 0.8717 0.8946 0.6290 0.2569 0.1696 0.0974 83 GLU C OE2 2966 N N . ILE B 41 ? 0.8551 0.7573 0.5716 0.3276 0.1811 0.0343 84 ILE C N 2967 C CA . ILE B 41 ? 0.9684 0.8858 0.6882 0.3535 0.1982 0.0409 84 ILE C CA 2968 C C . ILE B 41 ? 0.9126 0.8909 0.6703 0.3576 0.2127 0.0743 84 ILE C C 2969 O O . ILE B 41 ? 0.8120 0.8148 0.6112 0.3491 0.2109 0.0942 84 ILE C O 2970 C CB . ILE B 41 ? 0.9899 0.8777 0.7212 0.3633 0.1965 0.0350 84 ILE C CB 2971 C CG1 . ILE B 41 ? 1.0131 0.8399 0.7126 0.3561 0.1815 0.0031 84 ILE C CG1 2972 C CG2 . ILE B 41 ? 0.9894 0.8951 0.7260 0.3875 0.2127 0.0429 84 ILE C CG2 2973 C CD1 . ILE B 41 ? 1.0475 0.8413 0.7588 0.3629 0.1792 -0.0019 84 ILE C CD1 2974 N N . HIS B 42 ? 0.9637 0.9667 0.7098 0.3684 0.2246 0.0809 85 HIS C N 2975 C CA . HIS B 42 ? 0.9728 1.0330 0.7568 0.3714 0.2385 0.1133 85 HIS C CA 2976 C C . HIS B 42 ? 0.9548 1.0303 0.7704 0.3873 0.2475 0.1264 85 HIS C C 2977 O O . HIS B 42 ? 1.1189 1.1666 0.9141 0.4055 0.2513 0.1109 85 HIS C O 2978 C CB . HIS B 42 ? 1.1135 1.1915 0.8748 0.3802 0.2488 0.1170 85 HIS C CB 2979 C CG . HIS B 42 ? 1.1486 1.2817 0.9492 0.3849 0.2640 0.1501 85 HIS C CG 2980 N ND1 . HIS B 42 ? 1.0625 1.2353 0.9080 0.3655 0.2624 0.1766 85 HIS C ND1 2981 C CD2 . HIS B 42 ? 1.2094 1.3643 1.0128 0.4058 0.2804 0.1608 85 HIS C CD2 2982 C CE1 . HIS B 42 ? 1.0794 1.2956 0.9559 0.3728 0.2759 0.2024 85 HIS C CE1 2983 N NE2 . HIS B 42 ? 1.1905 1.3975 1.0415 0.3981 0.2880 0.1940 85 HIS C NE2 2984 N N . LEU B 43 ? 0.8705 0.9909 0.7378 0.3792 0.2495 0.1548 86 LEU C N 2985 C CA . LEU B 43 ? 0.8733 1.0153 0.7762 0.3919 0.2558 0.1704 86 LEU C CA 2986 C C . LEU B 43 ? 0.9475 1.1363 0.8690 0.4028 0.2729 0.1932 86 LEU C C 2987 O O . LEU B 43 ? 0.9010 1.1338 0.8565 0.3887 0.2744 0.2173 86 LEU C O 2988 C CB . LEU B 43 ? 0.7848 0.9474 0.7358 0.3754 0.2433 0.1869 86 LEU C CB 2989 C CG . LEU B 43 ? 0.7697 0.8886 0.7066 0.3635 0.2257 0.1684 86 LEU C CG 2990 C CD1 . LEU B 43 ? 0.7225 0.8624 0.7062 0.3464 0.2096 0.1863 86 LEU C CD1 2991 C CD2 . LEU B 43 ? 0.8421 0.9036 0.7412 0.3783 0.2242 0.1419 86 LEU C CD2 2992 N N . GLU B 44 ? 1.0619 1.2397 0.9623 0.4276 0.2855 0.1854 87 GLU C N 2993 C CA . GLU B 44 ? 1.0978 1.3146 1.0081 0.4418 0.3037 0.2043 87 GLU C CA 2994 C C . GLU B 44 ? 1.0110 1.2809 0.9827 0.4393 0.3083 0.2365 87 GLU C C 2995 O O . GLU B 44 ? 0.9909 1.2597 0.9843 0.4457 0.3055 0.2385 87 GLU C O 2996 C CB . GLU B 44 ? 1.2013 1.3899 1.0715 0.4705 0.3157 0.1854 87 GLU C CB 2997 C CG . GLU B 44 ? 1.2960 1.5207 1.1679 0.4882 0.3359 0.2023 87 GLU C CG 2998 C CD . GLU B 44 ? 1.3891 1.6203 1.2350 0.4817 0.3382 0.2028 87 GLU C CD 2999 O OE1 . GLU B 44 ? 1.3940 1.5944 1.2110 0.4672 0.3242 0.1840 87 GLU C OE1 3000 O OE2 . GLU B 44 ? 1.4186 1.6863 1.2740 0.4913 0.3538 0.2229 87 GLU C OE2 3001 N N . ASN B 45 ? 1.0139 1.3296 1.0142 0.4288 0.3141 0.2618 88 ASN C N 3002 C CA . ASN B 45 ? 0.9681 1.3382 1.0289 0.4240 0.3180 0.2936 88 ASN C CA 3003 C C . ASN B 45 ? 0.9483 1.3284 1.0516 0.4061 0.3002 0.3006 88 ASN C C 3004 O O . ASN B 45 ? 0.8975 1.3035 1.0378 0.4120 0.3010 0.3149 88 ASN C O 3005 C CB . ASN B 45 ? 0.9373 1.3218 1.0001 0.4527 0.3366 0.3003 88 ASN C CB 3006 C CG . ASN B 45 ? 0.9329 1.3753 1.0394 0.4513 0.3489 0.3333 88 ASN C CG 3007 O OD1 . ASN B 45 ? 0.8631 1.3303 0.9917 0.4298 0.3447 0.3494 88 ASN C OD1 3008 N ND2 . ASN B 45 ? 0.9858 1.4492 1.1062 0.4741 0.3642 0.3437 88 ASN C ND2 3009 N N . VAL B 46 ? 0.9144 1.2747 1.0117 0.3848 0.2836 0.2904 89 VAL C N 3010 C CA . VAL B 46 ? 0.8386 1.2058 0.9719 0.3671 0.2644 0.2953 89 VAL C CA 3011 C C . VAL B 46 ? 0.8146 1.2112 0.9823 0.3360 0.2520 0.3110 89 VAL C C 3012 O O . VAL B 46 ? 0.8661 1.2472 1.0101 0.3248 0.2506 0.3029 89 VAL C O 3013 C CB . VAL B 46 ? 0.8301 1.1423 0.9276 0.3700 0.2529 0.2677 89 VAL C CB 3014 C CG1 . VAL B 46 ? 0.7569 1.0762 0.8891 0.3499 0.2307 0.2738 89 VAL C CG1 3015 C CG2 . VAL B 46 ? 0.9364 1.2174 1.0073 0.3976 0.2619 0.2529 89 VAL C CG2 3016 N N . THR B 47 ? 0.7789 1.2168 1.0025 0.3214 0.2417 0.3327 90 THR C N 3017 C CA . THR B 47 ? 0.7274 1.1919 0.9884 0.2894 0.2266 0.3470 90 THR C CA 3018 C C . THR B 47 ? 0.6959 1.1537 0.9757 0.2725 0.2011 0.3416 90 THR C C 3019 O O . THR B 47 ? 0.6580 1.1253 0.9590 0.2775 0.1923 0.3457 90 THR C O 3020 C CB . THR B 47 ? 0.7059 1.2231 1.0191 0.2802 0.2300 0.3759 90 THR C CB 3021 O OG1 . THR B 47 ? 0.7607 1.2843 1.0559 0.2967 0.2530 0.3825 90 THR C OG1 3022 C CG2 . THR B 47 ? 0.6461 1.1839 0.9970 0.2448 0.2119 0.3880 90 THR C CG2 3023 N N . GLU B 48 ? 0.6572 1.0978 0.9274 0.2532 0.1885 0.3326 91 GLU C N 3024 C CA . GLU B 48 ? 0.6089 1.0343 0.8873 0.2348 0.1604 0.3251 91 GLU C CA 3025 C C . GLU B 48 ? 0.5320 0.9764 0.8420 0.1981 0.1406 0.3349 91 GLU C C 3026 O O . GLU B 48 ? 0.4199 0.8684 0.7282 0.1852 0.1477 0.3392 91 GLU C O 3027 C CB . GLU B 48 ? 0.6734 1.0311 0.8892 0.2347 0.1534 0.2949 91 GLU C CB 3028 C CG . GLU B 48 ? 0.7608 1.0902 0.9522 0.2636 0.1602 0.2829 91 GLU C CG 3029 C CD . GLU B 48 ? 0.7754 1.1136 0.9939 0.2628 0.1423 0.2903 91 GLU C CD 3030 O OE1 . GLU B 48 ? 0.7483 1.1002 0.9899 0.2362 0.1196 0.2965 91 GLU C OE1 3031 O OE2 . GLU B 48 ? 0.8481 1.1763 1.0608 0.2878 0.1500 0.2884 91 GLU C OE2 3032 N N . ASN B 49 ? 0.4219 0.8761 0.7591 0.1823 0.1153 0.3380 92 ASN C N 3033 C CA . ASN B 49 ? 0.4085 0.8753 0.7737 0.1472 0.0927 0.3434 92 ASN C CA 3034 C C . ASN B 49 ? 0.4824 0.8938 0.8028 0.1275 0.0728 0.3189 92 ASN C C 3035 O O . ASN B 49 ? 0.4582 0.8376 0.7495 0.1341 0.0627 0.3040 92 ASN C O 3036 C CB . ASN B 49 ? 0.4860 0.9985 0.9068 0.1402 0.0742 0.3600 92 ASN C CB 3037 C CG . ASN B 49 ? 0.5734 1.1253 1.0260 0.1520 0.0919 0.3791 92 ASN C CG 3038 O OD1 . ASN B 49 ? 0.5753 1.1388 1.0306 0.1558 0.1134 0.3888 92 ASN C OD1 3039 N ND2 . ASN B 49 ? 0.5998 1.1698 1.0726 0.1582 0.0824 0.3844 92 ASN C ND2 3040 N N . PHE B 50 ? 0.4551 0.8561 0.7717 0.1043 0.0685 0.3165 93 PHE C N 3041 C CA . PHE B 50 ? 0.3921 0.7436 0.6687 0.0863 0.0519 0.2944 93 PHE C CA 3042 C C . PHE B 50 ? 0.4046 0.7644 0.7090 0.0549 0.0267 0.2969 93 PHE C C 3043 O O . PHE B 50 ? 0.4247 0.8262 0.7793 0.0433 0.0242 0.3160 93 PHE C O 3044 C CB . PHE B 50 ? 0.4491 0.7717 0.6882 0.0878 0.0676 0.2852 93 PHE C CB 3045 C CG . PHE B 50 ? 0.5342 0.8318 0.7308 0.1154 0.0860 0.2729 93 PHE C CG 3046 C CD1 . PHE B 50 ? 0.5038 0.8284 0.7101 0.1413 0.1095 0.2847 93 PHE C CD1 3047 C CD2 . PHE B 50 ? 0.5228 0.7698 0.6708 0.1154 0.0800 0.2489 93 PHE C CD2 3048 C CE1 . PHE B 50 ? 0.4167 0.7142 0.5815 0.1669 0.1252 0.2705 93 PHE C CE1 3049 C CE2 . PHE B 50 ? 0.5093 0.7310 0.6201 0.1387 0.0947 0.2359 93 PHE C CE2 3050 C CZ . PHE B 50 ? 0.4418 0.6867 0.5593 0.1646 0.1166 0.2454 93 PHE C CZ 3051 N N . ASN B 51 ? 0.4182 0.7377 0.6902 0.0414 0.0083 0.2772 94 ASN C N 3052 C CA . ASN B 51 ? 0.4686 0.7855 0.7562 0.0126 -0.0156 0.2741 94 ASN C CA 3053 C C . ASN B 51 ? 0.4250 0.6897 0.6647 0.0027 -0.0244 0.2509 94 ASN C C 3054 O O . ASN B 51 ? 0.3695 0.6104 0.5817 0.0052 -0.0361 0.2371 94 ASN C O 3055 C CB . ASN B 51 ? 0.4858 0.8289 0.8027 0.0070 -0.0383 0.2790 94 ASN C CB 3056 C CG . ASN B 51 ? 0.4463 0.7918 0.7850 -0.0230 -0.0639 0.2762 94 ASN C CG 3057 O OD1 . ASN B 51 ? 0.3473 0.6785 0.6868 -0.0397 -0.0628 0.2740 94 ASN C OD1 3058 N ND2 . ASN B 51 ? 0.4245 0.7875 0.7803 -0.0293 -0.0878 0.2762 94 ASN C ND2 3059 N N . MET B 52 ? 0.3287 0.5774 0.5600 -0.0077 -0.0177 0.2488 95 MET C N 3060 C CA . MET B 52 ? 0.3675 0.5697 0.5560 -0.0150 -0.0227 0.2286 95 MET C CA 3061 C C . MET B 52 ? 0.4126 0.5987 0.5990 -0.0348 -0.0484 0.2167 95 MET C C 3062 O O . MET B 52 ? 0.4206 0.5696 0.5702 -0.0378 -0.0539 0.1989 95 MET C O 3063 C CB . MET B 52 ? 0.2978 0.4915 0.4827 -0.0205 -0.0101 0.2325 95 MET C CB 3064 C CG . MET B 52 ? 0.3123 0.5285 0.5413 -0.0410 -0.0162 0.2481 95 MET C CG 3065 S SD . MET B 52 ? 0.3594 0.5579 0.5795 -0.0481 -0.0034 0.2530 95 MET C SD 3066 C CE . MET B 52 ? 0.3218 0.4669 0.4974 -0.0571 -0.0192 0.2255 95 MET C CE 3067 N N . TRP B 53 ? 0.3691 0.5841 0.5950 -0.0479 -0.0643 0.2262 96 TRP C N 3068 C CA . TRP B 53 ? 0.3664 0.5673 0.5905 -0.0671 -0.0905 0.2138 96 TRP C CA 3069 C C . TRP B 53 ? 0.3368 0.5371 0.5439 -0.0592 -0.1048 0.2060 96 TRP C C 3070 O O . TRP B 53 ? 0.3851 0.5674 0.5757 -0.0703 -0.1250 0.1921 96 TRP C O 3071 C CB . TRP B 53 ? 0.3469 0.5758 0.6222 -0.0886 -0.1035 0.2259 96 TRP C CB 3072 C CG . TRP B 53 ? 0.4332 0.6611 0.7247 -0.0960 -0.0881 0.2366 96 TRP C CG 3073 C CD1 . TRP B 53 ? 0.4394 0.7025 0.7673 -0.0914 -0.0700 0.2598 96 TRP C CD1 3074 C CD2 . TRP B 53 ? 0.4519 0.6419 0.7223 -0.1070 -0.0878 0.2261 96 TRP C CD2 3075 N NE1 . TRP B 53 ? 0.3751 0.6243 0.7046 -0.0997 -0.0588 0.2654 96 TRP C NE1 3076 C CE2 . TRP B 53 ? 0.3944 0.5983 0.6896 -0.1092 -0.0701 0.2449 96 TRP C CE2 3077 C CE3 . TRP B 53 ? 0.4355 0.5824 0.6688 -0.1139 -0.0999 0.2038 96 TRP C CE3 3078 C CZ2 . TRP B 53 ? 0.4136 0.5885 0.6978 -0.1181 -0.0654 0.2427 96 TRP C CZ2 3079 C CZ3 . TRP B 53 ? 0.4036 0.5225 0.6278 -0.1223 -0.0949 0.2005 96 TRP C CZ3 3080 C CH2 . TRP B 53 ? 0.3896 0.5220 0.6391 -0.1244 -0.0785 0.2201 96 TRP C CH2 3081 N N . LYS B 54 ? 0.3968 0.6158 0.6064 -0.0386 -0.0937 0.2154 97 LYS C N 3082 C CA . LYS B 54 ? 0.4240 0.6377 0.6122 -0.0268 -0.1028 0.2102 97 LYS C CA 3083 C C . LYS B 54 ? 0.4284 0.6221 0.5857 -0.0038 -0.0814 0.2077 97 LYS C C 3084 O O . LYS B 54 ? 0.3862 0.6005 0.5566 0.0147 -0.0712 0.2194 97 LYS C O 3085 C CB . LYS B 54 ? 0.4710 0.7300 0.6992 -0.0244 -0.1159 0.2255 97 LYS C CB 3086 C CG . LYS B 54 ? 0.6625 0.9387 0.9184 -0.0485 -0.1431 0.2244 97 LYS C CG 3087 C CD . LYS B 54 ? 0.7973 1.1130 1.0812 -0.0445 -0.1617 0.2352 97 LYS C CD 3088 C CE . LYS B 54 ? 0.9389 1.2343 1.1798 -0.0306 -0.1702 0.2263 97 LYS C CE 3089 N NZ . LYS B 54 ? 0.9906 1.2477 1.1904 -0.0445 -0.1863 0.2048 97 LYS C NZ 3090 N N . ASN B 55 ? 0.4823 0.6354 0.6003 -0.0050 -0.0751 0.1921 98 ASN C N 3091 C CA . ASN B 55 ? 0.4461 0.5753 0.5347 0.0131 -0.0565 0.1869 98 ASN C CA 3092 C C . ASN B 55 ? 0.4327 0.5241 0.4811 0.0119 -0.0624 0.1713 98 ASN C C 3093 O O . ASN B 55 ? 0.4213 0.4902 0.4521 -0.0012 -0.0669 0.1593 98 ASN C O 3094 C CB . ASN B 55 ? 0.3578 0.4792 0.4425 0.0135 -0.0391 0.1853 98 ASN C CB 3095 C CG . ASN B 55 ? 0.4343 0.5380 0.4949 0.0336 -0.0202 0.1808 98 ASN C CG 3096 O OD1 . ASN B 55 ? 0.4708 0.5589 0.5140 0.0450 -0.0200 0.1764 98 ASN C OD1 3097 N ND2 . ASN B 55 ? 0.4629 0.5674 0.5213 0.0382 -0.0047 0.1818 98 ASN C ND2 3098 N N . ASN B 56 ? 0.3905 0.4753 0.4259 0.0264 -0.0612 0.1731 99 ASN C N 3099 C CA . ASN B 56 ? 0.3774 0.4296 0.3775 0.0260 -0.0654 0.1622 99 ASN C CA 3100 C C . ASN B 56 ? 0.3559 0.3738 0.3294 0.0252 -0.0524 0.1489 99 ASN C C 3101 O O . ASN B 56 ? 0.4128 0.4054 0.3606 0.0200 -0.0557 0.1391 99 ASN C O 3102 C CB . ASN B 56 ? 0.3662 0.4185 0.3609 0.0428 -0.0650 0.1706 99 ASN C CB 3103 C CG . ASN B 56 ? 0.4140 0.4369 0.3750 0.0417 -0.0696 0.1634 99 ASN C CG 3104 O OD1 . ASN B 56 ? 0.5820 0.5776 0.5238 0.0505 -0.0574 0.1601 99 ASN C OD1 3105 N ND2 . ASN B 56 ? 0.5466 0.5746 0.5002 0.0308 -0.0872 0.1610 99 ASN C ND2 3106 N N . MET B 57 ? 0.3525 0.3718 0.3322 0.0310 -0.0379 0.1490 100 MET C N 3107 C CA . MET B 57 ? 0.4254 0.4166 0.3823 0.0296 -0.0280 0.1363 100 MET C CA 3108 C C . MET B 57 ? 0.3956 0.3776 0.3456 0.0119 -0.0363 0.1276 100 MET C C 3109 O O . MET B 57 ? 0.4066 0.3631 0.3346 0.0083 -0.0342 0.1162 100 MET C O 3110 C CB . MET B 57 ? 0.3617 0.3607 0.3253 0.0394 -0.0129 0.1385 100 MET C CB 3111 C CG . MET B 57 ? 0.4261 0.4322 0.3955 0.0598 -0.0024 0.1454 100 MET C CG 3112 S SD . MET B 57 ? 0.4761 0.4894 0.4454 0.0735 0.0166 0.1454 100 MET C SD 3113 C CE . MET B 57 ? 0.5007 0.4722 0.4334 0.0707 0.0200 0.1246 100 MET C CE 3114 N N . VAL B 58 ? 0.3717 0.3746 0.3430 0.0009 -0.0459 0.1334 101 VAL C N 3115 C CA . VAL B 58 ? 0.3809 0.3736 0.3482 -0.0153 -0.0544 0.1254 101 VAL C CA 3116 C C . VAL B 58 ? 0.3585 0.3316 0.3028 -0.0203 -0.0650 0.1152 101 VAL C C 3117 O O . VAL B 58 ? 0.3866 0.3377 0.3123 -0.0257 -0.0640 0.1042 101 VAL C O 3118 C CB . VAL B 58 ? 0.3860 0.4035 0.3845 -0.0271 -0.0640 0.1342 101 VAL C CB 3119 C CG1 . VAL B 58 ? 0.5333 0.5343 0.5263 -0.0432 -0.0741 0.1244 101 VAL C CG1 3120 C CG2 . VAL B 58 ? 0.4112 0.4496 0.4324 -0.0220 -0.0507 0.1465 101 VAL C CG2 3121 N N . GLU B 59 ? 0.3978 0.3811 0.3431 -0.0171 -0.0747 0.1201 102 GLU C N 3122 C CA . GLU B 59 ? 0.4375 0.4049 0.3575 -0.0193 -0.0838 0.1125 102 GLU C CA 3123 C C . GLU B 59 ? 0.4109 0.3522 0.3050 -0.0118 -0.0711 0.1068 102 GLU C C 3124 O O . GLU B 59 ? 0.4616 0.3846 0.3340 -0.0162 -0.0727 0.0977 102 GLU C O 3125 C CB . GLU B 59 ? 0.4184 0.4045 0.3433 -0.0144 -0.0962 0.1214 102 GLU C CB 3126 C CG . GLU B 59 ? 0.5099 0.5164 0.4526 -0.0267 -0.1161 0.1216 102 GLU C CG 3127 C CD . GLU B 59 ? 0.6030 0.6353 0.5851 -0.0319 -0.1150 0.1309 102 GLU C CD 3128 O OE1 . GLU B 59 ? 0.7364 0.7747 0.7343 -0.0472 -0.1268 0.1275 102 GLU C OE1 3129 O OE2 . GLU B 59 ? 0.5662 0.6121 0.5637 -0.0204 -0.1018 0.1419 102 GLU C OE2 3130 N N . GLN B 60 ? 0.4043 0.3438 0.3020 -0.0004 -0.0584 0.1119 103 GLN C N 3131 C CA . GLN B 60 ? 0.4250 0.3393 0.3032 0.0052 -0.0473 0.1068 103 GLN C CA 3132 C C . GLN B 60 ? 0.3672 0.2659 0.2377 -0.0021 -0.0413 0.0952 103 GLN C C 3133 O O . GLN B 60 ? 0.4273 0.3072 0.2814 -0.0041 -0.0377 0.0887 103 GLN C O 3134 C CB . GLN B 60 ? 0.4278 0.3409 0.3121 0.0194 -0.0368 0.1135 103 GLN C CB 3135 C CG . GLN B 60 ? 0.4323 0.3569 0.3217 0.0296 -0.0414 0.1262 103 GLN C CG 3136 C CD . GLN B 60 ? 0.5049 0.4173 0.3944 0.0451 -0.0296 0.1310 103 GLN C CD 3137 O OE1 . GLN B 60 ? 0.5351 0.4206 0.4110 0.0461 -0.0209 0.1242 103 GLN C OE1 3138 N NE2 . GLN B 60 ? 0.5074 0.4395 0.4143 0.0573 -0.0296 0.1425 103 GLN C NE2 3139 N N . MET B 61 ? 0.3791 0.2874 0.2628 -0.0056 -0.0398 0.0942 104 MET C N 3140 C CA . MET B 61 ? 0.3989 0.2950 0.2761 -0.0116 -0.0358 0.0847 104 MET C CA 3141 C C . MET B 61 ? 0.3581 0.2467 0.2267 -0.0218 -0.0440 0.0780 104 MET C C 3142 O O . MET B 61 ? 0.3799 0.2532 0.2364 -0.0242 -0.0404 0.0697 104 MET C O 3143 C CB . MET B 61 ? 0.4283 0.3373 0.3198 -0.0117 -0.0320 0.0879 104 MET C CB 3144 C CG . MET B 61 ? 0.3785 0.2761 0.2625 -0.0160 -0.0286 0.0797 104 MET C CG 3145 S SD . MET B 61 ? 0.4205 0.3320 0.3152 -0.0127 -0.0216 0.0857 104 MET C SD 3146 C CE . MET B 61 ? 0.5553 0.4502 0.4361 -0.0163 -0.0204 0.0751 104 MET C CE 3147 N N . GLN B 62 ? 0.3691 0.2689 0.2449 -0.0274 -0.0555 0.0810 105 GLN C N 3148 C CA . GLN B 62 ? 0.4111 0.3017 0.2760 -0.0357 -0.0647 0.0726 105 GLN C CA 3149 C C . GLN B 62 ? 0.4548 0.3302 0.2950 -0.0319 -0.0619 0.0675 105 GLN C C 3150 O O . GLN B 62 ? 0.4250 0.2867 0.2524 -0.0348 -0.0600 0.0586 105 GLN C O 3151 C CB . GLN B 62 ? 0.4359 0.3412 0.3119 -0.0419 -0.0801 0.0758 105 GLN C CB 3152 C CG . GLN B 62 ? 0.4786 0.3718 0.3387 -0.0492 -0.0918 0.0647 105 GLN C CG 3153 C CD . GLN B 62 ? 0.4826 0.3667 0.3516 -0.0589 -0.0947 0.0577 105 GLN C CD 3154 O OE1 . GLN B 62 ? 0.4630 0.3447 0.3416 -0.0587 -0.0848 0.0600 105 GLN C OE1 3155 N NE2 . GLN B 62 ? 0.4856 0.3631 0.3499 -0.0670 -0.1092 0.0490 105 GLN C NE2 3156 N N . GLU B 63 ? 0.4545 0.3332 0.2894 -0.0243 -0.0604 0.0749 106 GLU C N 3157 C CA . GLU B 63 ? 0.3894 0.2551 0.2024 -0.0199 -0.0558 0.0743 106 GLU C CA 3158 C C . GLU B 63 ? 0.4451 0.2957 0.2545 -0.0198 -0.0425 0.0694 106 GLU C C 3159 O O . GLU B 63 ? 0.4301 0.2705 0.2245 -0.0205 -0.0384 0.0653 106 GLU C O 3160 C CB . GLU B 63 ? 0.4536 0.3250 0.2650 -0.0108 -0.0556 0.0863 106 GLU C CB 3161 C CG . GLU B 63 ? 0.5065 0.3954 0.3192 -0.0104 -0.0711 0.0915 106 GLU C CG 3162 C CD . GLU B 63 ? 0.7337 0.6321 0.5514 0.0007 -0.0709 0.1056 106 GLU C CD 3163 O OE1 . GLU B 63 ? 0.6306 0.5168 0.4469 0.0082 -0.0582 0.1108 106 GLU C OE1 3164 O OE2 . GLU B 63 ? 0.8589 0.7767 0.6835 0.0019 -0.0844 0.1116 106 GLU C OE2 3165 N N . ASP B 64 ? 0.3986 0.2495 0.2220 -0.0183 -0.0361 0.0699 107 ASP C N 3166 C CA . ASP B 64 ? 0.3857 0.2246 0.2087 -0.0193 -0.0265 0.0642 107 ASP C CA 3167 C C . ASP B 64 ? 0.3758 0.2122 0.1975 -0.0256 -0.0274 0.0552 107 ASP C C 3168 O O . ASP B 64 ? 0.4041 0.2322 0.2201 -0.0269 -0.0216 0.0510 107 ASP C O 3169 C CB . ASP B 64 ? 0.3878 0.2280 0.2225 -0.0153 -0.0219 0.0645 107 ASP C CB 3170 C CG . ASP B 64 ? 0.4761 0.3099 0.3108 -0.0074 -0.0169 0.0707 107 ASP C CG 3171 O OD1 . ASP B 64 ? 0.4601 0.2876 0.2867 -0.0056 -0.0161 0.0764 107 ASP C OD1 3172 O OD2 . ASP B 64 ? 0.4258 0.2595 0.2672 -0.0018 -0.0133 0.0701 107 ASP C OD2 3173 N N . VAL B 65 ? 0.3606 0.2045 0.1900 -0.0291 -0.0338 0.0535 108 VAL C N 3174 C CA . VAL B 65 ? 0.3623 0.2019 0.1921 -0.0336 -0.0347 0.0462 108 VAL C CA 3175 C C . VAL B 65 ? 0.3518 0.1835 0.1667 -0.0350 -0.0370 0.0406 108 VAL C C 3176 O O . VAL B 65 ? 0.3968 0.2217 0.2079 -0.0351 -0.0324 0.0345 108 VAL C O 3177 C CB . VAL B 65 ? 0.4586 0.3061 0.3017 -0.0374 -0.0407 0.0482 108 VAL C CB 3178 C CG1 . VAL B 65 ? 0.4273 0.2670 0.2709 -0.0408 -0.0413 0.0419 108 VAL C CG1 3179 C CG2 . VAL B 65 ? 0.3911 0.2482 0.2454 -0.0336 -0.0361 0.0543 108 VAL C CG2 3180 N N . ILE B 66 ? 0.3775 0.2114 0.1831 -0.0347 -0.0441 0.0426 109 ILE C N 3181 C CA . ILE B 66 ? 0.4139 0.2400 0.1988 -0.0337 -0.0462 0.0366 109 ILE C CA 3182 C C . ILE B 66 ? 0.4421 0.2628 0.2164 -0.0289 -0.0335 0.0383 109 ILE C C 3183 O O . ILE B 66 ? 0.4297 0.2439 0.1939 -0.0274 -0.0282 0.0320 109 ILE C O 3184 C CB . ILE B 66 ? 0.4596 0.2914 0.2341 -0.0332 -0.0579 0.0392 109 ILE C CB 3185 C CG1 . ILE B 66 ? 0.5002 0.3367 0.2871 -0.0407 -0.0720 0.0356 109 ILE C CG1 3186 C CG2 . ILE B 66 ? 0.4839 0.3078 0.2295 -0.0288 -0.0575 0.0342 109 ILE C CG2 3187 C CD1 . ILE B 66 ? 0.4681 0.3131 0.2481 -0.0418 -0.0870 0.0369 109 ILE C CD1 3188 N N . SER B 67 ? 0.4264 0.2495 0.2050 -0.0261 -0.0279 0.0473 110 SER C N 3189 C CA . SER B 67 ? 0.5001 0.3177 0.2744 -0.0235 -0.0156 0.0514 110 SER C CA 3190 C C . SER B 67 ? 0.4780 0.2937 0.2651 -0.0266 -0.0082 0.0455 110 SER C C 3191 O O . SER B 67 ? 0.4564 0.2702 0.2393 -0.0257 0.0005 0.0448 110 SER C O 3192 C CB . SER B 67 ? 0.5428 0.3594 0.3234 -0.0207 -0.0120 0.0618 110 SER C CB 3193 O OG . SER B 67 ? 0.5534 0.3628 0.3336 -0.0202 -0.0001 0.0670 110 SER C OG 3194 N N . LEU B 68 ? 0.4038 0.2223 0.2066 -0.0294 -0.0116 0.0424 111 LEU C N 3195 C CA . LEU B 68 ? 0.4337 0.2531 0.2490 -0.0317 -0.0075 0.0371 111 LEU C CA 3196 C C . LEU B 68 ? 0.4094 0.2281 0.2197 -0.0311 -0.0068 0.0307 111 LEU C C 3197 O O . LEU B 68 ? 0.4272 0.2475 0.2421 -0.0305 0.0010 0.0293 111 LEU C O 3198 C CB . LEU B 68 ? 0.4174 0.2407 0.2446 -0.0328 -0.0126 0.0355 111 LEU C CB 3199 C CG . LEU B 68 ? 0.4455 0.2716 0.2845 -0.0342 -0.0109 0.0307 111 LEU C CG 3200 C CD1 . LEU B 68 ? 0.4070 0.2353 0.2515 -0.0330 -0.0134 0.0309 111 LEU C CD1 3201 C CD2 . LEU B 68 ? 0.5119 0.3405 0.3528 -0.0340 -0.0136 0.0266 111 LEU C CD2 3202 N N . TRP B 69 ? 0.3918 0.2082 0.1949 -0.0310 -0.0148 0.0269 112 TRP C N 3203 C CA . TRP B 69 ? 0.4455 0.2567 0.2427 -0.0291 -0.0148 0.0192 112 TRP C CA 3204 C C . TRP B 69 ? 0.4552 0.2632 0.2347 -0.0240 -0.0071 0.0175 112 TRP C C 3205 O O . TRP B 69 ? 0.4748 0.2822 0.2547 -0.0201 0.0002 0.0132 112 TRP C O 3206 C CB . TRP B 69 ? 0.4157 0.2212 0.2099 -0.0317 -0.0265 0.0150 112 TRP C CB 3207 C CG . TRP B 69 ? 0.3714 0.1793 0.1837 -0.0348 -0.0303 0.0166 112 TRP C CG 3208 C CD1 . TRP B 69 ? 0.3722 0.1891 0.1973 -0.0365 -0.0303 0.0233 112 TRP C CD1 3209 C CD2 . TRP B 69 ? 0.4022 0.2021 0.2197 -0.0353 -0.0340 0.0121 112 TRP C CD2 3210 N NE1 . TRP B 69 ? 0.3537 0.1712 0.1902 -0.0378 -0.0331 0.0246 112 TRP C NE1 3211 C CE2 . TRP B 69 ? 0.4150 0.2215 0.2486 -0.0375 -0.0356 0.0187 112 TRP C CE2 3212 C CE3 . TRP B 69 ? 0.4733 0.2592 0.2820 -0.0328 -0.0355 0.0033 112 TRP C CE3 3213 C CZ2 . TRP B 69 ? 0.4374 0.2379 0.2802 -0.0380 -0.0385 0.0193 112 TRP C CZ2 3214 C CZ3 . TRP B 69 ? 0.4775 0.2548 0.2967 -0.0334 -0.0390 0.0022 112 TRP C CZ3 3215 C CH2 . TRP B 69 ? 0.4466 0.2316 0.2835 -0.0364 -0.0404 0.0113 112 TRP C CH2 3216 N N . ASP B 70 ? 0.4789 0.2864 0.2426 -0.0227 -0.0079 0.0220 113 ASP C N 3217 C CA . ASP B 70 ? 0.5109 0.3164 0.2530 -0.0164 0.0003 0.0225 113 ASP C CA 3218 C C . ASP B 70 ? 0.5149 0.3266 0.2679 -0.0149 0.0162 0.0288 113 ASP C C 3219 O O . ASP B 70 ? 0.5427 0.3554 0.2854 -0.0088 0.0265 0.0275 113 ASP C O 3220 C CB . ASP B 70 ? 0.5580 0.3637 0.2812 -0.0145 -0.0044 0.0290 113 ASP C CB 3221 C CG . ASP B 70 ? 0.8058 0.6076 0.5159 -0.0156 -0.0209 0.0212 113 ASP C CG 3222 O OD1 . ASP B 70 ? 0.8125 0.6070 0.5218 -0.0167 -0.0263 0.0096 113 ASP C OD1 3223 O OD2 . ASP B 70 ? 0.8583 0.6642 0.5607 -0.0155 -0.0291 0.0271 113 ASP C OD2 3224 N N . GLN B 71 ? 0.5038 0.3198 0.2785 -0.0204 0.0181 0.0353 114 GLN C N 3225 C CA . GLN B 71 ? 0.5231 0.3452 0.3142 -0.0221 0.0308 0.0416 114 GLN C CA 3226 C C . GLN B 71 ? 0.5438 0.3732 0.3556 -0.0235 0.0325 0.0353 114 GLN C C 3227 O O . GLN B 71 ? 0.5808 0.4191 0.4085 -0.0245 0.0428 0.0393 114 GLN C O 3228 C CB . GLN B 71 ? 0.5636 0.3836 0.3687 -0.0278 0.0303 0.0493 114 GLN C CB 3229 C CG . GLN B 71 ? 0.6912 0.5050 0.4800 -0.0251 0.0296 0.0585 114 GLN C CG 3230 C CD . GLN B 71 ? 0.6985 0.5065 0.5019 -0.0291 0.0280 0.0639 114 GLN C CD 3231 O OE1 . GLN B 71 ? 0.7004 0.5082 0.5248 -0.0347 0.0296 0.0613 114 GLN C OE1 3232 N NE2 . GLN B 71 ? 0.7137 0.5167 0.5055 -0.0253 0.0239 0.0708 114 GLN C NE2 3233 N N . SER B 72 ? 0.4733 0.3004 0.2872 -0.0234 0.0224 0.0271 115 SER C N 3234 C CA . SER B 72 ? 0.4055 0.2402 0.2403 -0.0243 0.0215 0.0231 115 SER C CA 3235 C C . SER B 72 ? 0.5178 0.3519 0.3489 -0.0170 0.0237 0.0166 115 SER C C 3236 O O . SER B 72 ? 0.4920 0.3367 0.3388 -0.0141 0.0306 0.0168 115 SER C O 3237 C CB . SER B 72 ? 0.4211 0.2544 0.2638 -0.0284 0.0100 0.0213 115 SER C CB 3238 O OG . SER B 72 ? 0.5007 0.3335 0.3479 -0.0332 0.0089 0.0258 115 SER C OG 3239 N N . LEU B 73 ? 0.4579 0.2794 0.2702 -0.0139 0.0171 0.0106 116 LEU C N 3240 C CA . LEU B 73 ? 0.4518 0.2669 0.2599 -0.0064 0.0179 0.0027 116 LEU C CA 3241 C C . LEU B 73 ? 0.5395 0.3539 0.3312 0.0028 0.0301 0.0000 116 LEU C C 3242 O O . LEU B 73 ? 0.6406 0.4518 0.4111 0.0037 0.0329 0.0016 116 LEU C O 3243 C CB . LEU B 73 ? 0.5931 0.3923 0.3911 -0.0082 0.0050 -0.0036 116 LEU C CB 3244 C CG . LEU B 73 ? 0.6831 0.4847 0.5000 -0.0137 -0.0036 -0.0001 116 LEU C CG 3245 C CD1 . LEU B 73 ? 0.5704 0.3778 0.3902 -0.0214 -0.0090 0.0065 116 LEU C CD1 3246 C CD2 . LEU B 73 ? 0.7159 0.5019 0.5306 -0.0129 -0.0119 -0.0054 116 LEU C CD2 3247 N N . GLN B 74 ? 0.5398 0.3586 0.3407 0.0111 0.0381 -0.0031 117 GLN C N 3248 C CA . GLN B 74 ? 0.5392 0.3612 0.3270 0.0223 0.0532 -0.0046 117 GLN C CA 3249 C C . GLN B 74 ? 0.5925 0.3995 0.3675 0.0345 0.0536 -0.0170 117 GLN C C 3250 O O . GLN B 74 ? 0.5743 0.3888 0.3677 0.0421 0.0602 -0.0173 117 GLN C O 3251 C CB . GLN B 74 ? 0.5474 0.3940 0.3633 0.0229 0.0671 0.0054 117 GLN C CB 3252 C CG . GLN B 74 ? 0.5318 0.3896 0.3643 0.0101 0.0660 0.0164 117 GLN C CG 3253 C CD . GLN B 74 ? 0.7305 0.6120 0.5930 0.0086 0.0791 0.0261 117 GLN C CD 3254 O OE1 . GLN B 74 ? 0.7255 0.6170 0.5868 0.0178 0.0950 0.0293 117 GLN C OE1 3255 N NE2 . GLN B 74 ? 0.6152 0.5065 0.5054 -0.0027 0.0724 0.0306 117 GLN C NE2 3256 N N . PRO B 75 ? 0.5960 0.3810 0.3401 0.0365 0.0456 -0.0277 118 PRO C N 3257 C CA . PRO B 75 ? 0.5994 0.3636 0.3268 0.0481 0.0451 -0.0422 118 PRO C CA 3258 C C . PRO B 75 ? 0.5792 0.3484 0.2893 0.0647 0.0640 -0.0455 118 PRO C C 3259 O O . PRO B 75 ? 0.6420 0.4262 0.3428 0.0654 0.0748 -0.0371 118 PRO C O 3260 C CB . PRO B 75 ? 0.6462 0.3880 0.3460 0.0422 0.0289 -0.0523 118 PRO C CB 3261 C CG . PRO B 75 ? 0.6296 0.3848 0.3207 0.0347 0.0285 -0.0427 118 PRO C CG 3262 C CD . PRO B 75 ? 0.5934 0.3714 0.3181 0.0276 0.0347 -0.0272 118 PRO C CD 3263 N N . CYS B 76 ? 0.6038 0.3603 0.3098 0.0788 0.0690 -0.0563 119 CYS C N 3264 C CA . CYS B 76 ? 0.6065 0.3669 0.2936 0.0977 0.0885 -0.0608 119 CYS C CA 3265 C C . CYS B 76 ? 0.8090 0.5535 0.4473 0.1025 0.0873 -0.0713 119 CYS C C 3266 O O . CYS B 76 ? 0.7487 0.5062 0.3678 0.1132 0.1045 -0.0672 119 CYS C O 3267 C CB . CYS B 76 ? 0.7410 0.4866 0.4329 0.1135 0.0927 -0.0719 119 CYS C CB 3268 S SG . CYS B 76 ? 1.7179 1.4922 1.4639 0.1167 0.1017 -0.0574 119 CYS C SG 3269 N N . VAL B 77 ? 0.6587 0.3765 0.2775 0.0948 0.0666 -0.0842 120 VAL C N 3270 C CA . VAL B 77 ? 0.7293 0.4315 0.3011 0.0981 0.0601 -0.0961 120 VAL C CA 3271 C C . VAL B 77 ? 0.8001 0.4921 0.3708 0.0794 0.0353 -0.0977 120 VAL C C 3272 O O . VAL B 77 ? 0.7540 0.4347 0.3486 0.0685 0.0210 -0.0998 120 VAL C O 3273 C CB . VAL B 77 ? 0.9125 0.5854 0.4501 0.1161 0.0617 -0.1196 120 VAL C CB 3274 C CG1 . VAL B 77 ? 1.0108 0.6560 0.5665 0.1117 0.0469 -0.1315 120 VAL C CG1 3275 C CG2 . VAL B 77 ? 0.8050 0.4752 0.3093 0.1152 0.0505 -0.1287 120 VAL C CG2 3276 N N . LYS B 78 ? 0.7521 0.4508 0.2968 0.0763 0.0312 -0.0942 121 LYS C N 3277 C CA . LYS B 78 ? 0.6888 0.3811 0.2311 0.0607 0.0078 -0.0956 121 LYS C CA 3278 C C . LYS B 78 ? 0.7706 0.4535 0.2776 0.0650 -0.0042 -0.1101 121 LYS C C 3279 O O . LYS B 78 ? 0.8513 0.5475 0.3349 0.0755 0.0062 -0.1071 121 LYS C O 3280 C CB . LYS B 78 ? 0.8663 0.5842 0.4264 0.0502 0.0094 -0.0740 121 LYS C CB 3281 C CG . LYS B 78 ? 0.9793 0.6953 0.5473 0.0344 -0.0133 -0.0726 121 LYS C CG 3282 C CD . LYS B 78 ? 1.0498 0.7884 0.6447 0.0250 -0.0100 -0.0515 121 LYS C CD 3283 C CE . LYS B 78 ? 1.1918 0.9444 0.7652 0.0317 0.0015 -0.0394 121 LYS C CE 3284 N NZ . LYS B 78 ? 1.2142 0.9833 0.8134 0.0225 0.0030 -0.0204 121 LYS C NZ 3285 N N . LEU B 79 ? 0.7445 0.4109 0.2581 0.0552 -0.0260 -0.1232 122 LEU C N 3286 C CA . LEU B 79 ? 0.7856 0.4476 0.2771 0.0561 -0.0403 -0.1373 122 LEU C CA 3287 C C . LEU B 79 ? 1.0056 0.6782 0.5028 0.0409 -0.0607 -0.1312 122 LEU C C 3288 O O . LEU B 79 ? 0.8025 0.4669 0.3235 0.0263 -0.0780 -0.1337 122 LEU C O 3289 C CB . LEU B 79 ? 0.9205 0.5565 0.4174 0.0559 -0.0499 -0.1572 122 LEU C CB 3290 C CG . LEU B 79 ? 1.0752 0.6993 0.5738 0.0711 -0.0309 -0.1627 122 LEU C CG 3291 C CD1 . LEU B 79 ? 1.1777 0.7739 0.6861 0.0692 -0.0421 -0.1806 122 LEU C CD1 3292 C CD2 . LEU B 79 ? 1.0113 0.6468 0.4788 0.0906 -0.0114 -0.1640 122 LEU C CD2 3293 N N . THR B 80 ? 0.9253 0.6179 0.4032 0.0448 -0.0578 -0.1213 123 THR C N 3294 C CA . THR B 80 ? 0.9021 0.6089 0.3868 0.0330 -0.0749 -0.1124 123 THR C CA 3295 C C . THR B 80 ? 0.9676 0.6887 0.4219 0.0400 -0.0793 -0.1133 123 THR C C 3296 O O . THR B 80 ? 1.0235 0.7545 0.4555 0.0533 -0.0617 -0.1067 123 THR C O 3297 C CB . THR B 80 ? 1.0365 0.7573 0.5408 0.0274 -0.0666 -0.0901 123 THR C CB 3298 O OG1 . THR B 80 ? 1.2030 0.9406 0.7105 0.0201 -0.0805 -0.0799 123 THR C OG1 3299 C CG2 . THR B 80 ? 1.0200 0.7509 0.5125 0.0402 -0.0403 -0.0776 123 THR C CG2 3300 N N . GLY B 81 ? 1.0010 0.7246 0.4563 0.0306 -0.1029 -0.1207 124 GLY C N 3301 C CA . GLY B 81 ? 1.1028 0.8417 0.5305 0.0357 -0.1108 -0.1214 124 GLY C CA 3302 C C . GLY B 81 ? 1.2195 0.9499 0.6102 0.0494 -0.1045 -0.1377 124 GLY C C 3303 O O . GLY B 81 ? 1.3222 1.0664 0.6836 0.0574 -0.1042 -0.1351 124 GLY C O 3304 N N . GLY B 82 ? 1.1699 0.8774 0.5614 0.0528 -0.0991 -0.1538 198 GLY C N 3305 C CA . GLY B 82 ? 1.0392 0.7359 0.3962 0.0671 -0.0919 -0.1707 198 GLY C CA 3306 C C . GLY B 82 ? 1.0233 0.7259 0.3668 0.0842 -0.0620 -0.1605 198 GLY C C 3307 O O . GLY B 82 ? 1.1141 0.8115 0.4277 0.0986 -0.0518 -0.1712 198 GLY C O 3308 N N . SER B 83 ? 0.9568 0.6709 0.3234 0.0823 -0.0477 -0.1396 199 SER C N 3309 C CA . SER B 83 ? 1.1012 0.8244 0.4629 0.0963 -0.0187 -0.1271 199 SER C CA 3310 C C . SER B 83 ? 1.0869 0.7969 0.4743 0.0972 -0.0070 -0.1292 199 SER C C 3311 O O . SER B 83 ? 0.9855 0.6841 0.3998 0.0843 -0.0193 -0.1316 199 SER C O 3312 C CB . SER B 83 ? 1.2322 0.9799 0.6008 0.0945 -0.0085 -0.1002 199 SER C CB 3313 O OG . SER B 83 ? 1.3568 1.1181 0.6994 0.0970 -0.0160 -0.0961 199 SER C OG 3314 N N . VAL B 84 ? 1.0997 0.8130 0.4796 0.1127 0.0172 -0.1273 200 VAL C N 3315 C CA . VAL B 84 ? 1.0797 0.7842 0.4835 0.1164 0.0305 -0.1281 200 VAL C CA 3316 C C . VAL B 84 ? 1.0669 0.7940 0.4855 0.1212 0.0559 -0.1048 200 VAL C C 3317 O O . VAL B 84 ? 1.2018 0.9443 0.6070 0.1348 0.0763 -0.0975 200 VAL C O 3318 C CB . VAL B 84 ? 1.1118 0.8004 0.5006 0.1317 0.0378 -0.1475 200 VAL C CB 3319 C CG1 . VAL B 84 ? 1.1407 0.8228 0.5571 0.1371 0.0519 -0.1464 200 VAL C CG1 3320 C CG2 . VAL B 84 ? 1.1482 0.8125 0.5243 0.1255 0.0127 -0.1711 200 VAL C CG2 3321 N N . ILE B 85 ? 0.8736 0.6032 0.3213 0.1093 0.0548 -0.0929 201 ILE C N 3322 C CA . ILE B 85 ? 0.9119 0.6628 0.3782 0.1103 0.0770 -0.0704 201 ILE C CA 3323 C C . ILE B 85 ? 0.9234 0.6715 0.4151 0.1149 0.0912 -0.0710 201 ILE C C 3324 O O . ILE B 85 ? 0.8739 0.6111 0.3897 0.1042 0.0798 -0.0742 201 ILE C O 3325 C CB . ILE B 85 ? 1.0383 0.7966 0.5195 0.0939 0.0679 -0.0541 201 ILE C CB 3326 C CG1 . ILE B 85 ? 1.1364 0.8973 0.5968 0.0893 0.0501 -0.0545 201 ILE C CG1 3327 C CG2 . ILE B 85 ? 1.0342 0.8148 0.5346 0.0939 0.0910 -0.0300 201 ILE C CG2 3328 C CD1 . ILE B 85 ? 1.2017 0.9786 0.6373 0.1014 0.0628 -0.0474 201 ILE C CD1 3329 N N . LYS B 86 ? 0.9240 0.6871 0.4179 0.1302 0.1154 -0.0661 202 LYS C N 3330 C CA . LYS B 86 ? 0.8578 0.6246 0.3799 0.1371 0.1311 -0.0648 202 LYS C CA 3331 C C . LYS B 86 ? 0.8710 0.6715 0.4356 0.1285 0.1465 -0.0387 202 LYS C C 3332 O O . LYS B 86 ? 0.9094 0.7279 0.4639 0.1316 0.1624 -0.0232 202 LYS C O 3333 C CB . LYS B 86 ? 0.8935 0.6620 0.4068 0.1575 0.1456 -0.0746 202 LYS C CB 3334 C CG . LYS B 86 ? 0.9773 0.7164 0.4632 0.1622 0.1273 -0.1000 202 LYS C CG 3335 C CD . LYS B 86 ? 1.0671 0.8071 0.5437 0.1834 0.1435 -0.1093 202 LYS C CD 3336 C CE . LYS B 86 ? 1.2576 0.9667 0.7059 0.1870 0.1253 -0.1351 202 LYS C CE 3337 N NZ . LYS B 86 ? 1.3415 1.0221 0.8071 0.1763 0.1047 -0.1478 202 LYS C NZ 3338 N N . GLN B 87 ? 0.8162 0.6247 0.4293 0.1172 0.1407 -0.0337 203 GLN C N 3339 C CA . GLN B 87 ? 0.8137 0.6521 0.4714 0.1061 0.1504 -0.0119 203 GLN C CA 3340 C C . GLN B 87 ? 0.7970 0.6457 0.5014 0.1035 0.1490 -0.0114 203 GLN C C 3341 O O . GLN B 87 ? 0.7571 0.5879 0.4593 0.1097 0.1400 -0.0262 203 GLN C O 3342 C CB . GLN B 87 ? 0.7928 0.6301 0.4563 0.0865 0.1353 -0.0025 203 GLN C CB 3343 C CG . GLN B 87 ? 0.9228 0.7402 0.5917 0.0746 0.1095 -0.0138 203 GLN C CG 3344 C CD . GLN B 87 ? 0.9701 0.7877 0.6437 0.0582 0.0965 -0.0045 203 GLN C CD 3345 O OE1 . GLN B 87 ? 1.0281 0.8491 0.6814 0.0583 0.1011 0.0044 203 GLN C OE1 3346 N NE2 . GLN B 87 ? 0.9097 0.7241 0.6094 0.0456 0.0810 -0.0057 203 GLN C NE2 3347 N N . ALA B 88 ? 0.7869 0.6639 0.5339 0.0943 0.1569 0.0058 204 ALA C N 3348 C CA . ALA B 88 ? 0.7466 0.6380 0.5393 0.0909 0.1535 0.0079 204 ALA C CA 3349 C C . ALA B 88 ? 0.6759 0.5494 0.4755 0.0776 0.1283 0.0007 204 ALA C C 3350 O O . ALA B 88 ? 0.6019 0.4639 0.3884 0.0649 0.1158 0.0013 204 ALA C O 3351 C CB . ALA B 88 ? 0.7766 0.7022 0.6126 0.0814 0.1647 0.0271 204 ALA C CB 3352 N N . CYS B 89 ? 0.6409 0.5134 0.4614 0.0817 0.1220 -0.0047 205 CYS C N 3353 C CA . CYS B 89 ? 0.6242 0.4811 0.4514 0.0710 0.1004 -0.0096 205 CYS C CA 3354 C C . CYS B 89 ? 0.5920 0.4700 0.4624 0.0663 0.0955 -0.0020 205 CYS C C 3355 O O . CYS B 89 ? 0.5791 0.4505 0.4587 0.0735 0.0896 -0.0065 205 CYS C O 3356 C CB . CYS B 89 ? 0.6362 0.4612 0.4375 0.0807 0.0924 -0.0255 205 CYS C CB 3357 S SG . CYS B 89 ? 0.8167 0.6409 0.6210 0.1053 0.1078 -0.0327 205 CYS C SG 3358 N N . PRO B 90 ? 0.5870 0.4893 0.4837 0.0543 0.0970 0.0097 206 PRO C N 3359 C CA . PRO B 90 ? 0.5509 0.4740 0.4864 0.0491 0.0893 0.0153 206 PRO C CA 3360 C C . PRO B 90 ? 0.5346 0.4418 0.4658 0.0398 0.0689 0.0115 206 PRO C C 3361 O O . PRO B 90 ? 0.5091 0.3971 0.4168 0.0317 0.0616 0.0085 206 PRO C O 3362 C CB . PRO B 90 ? 0.5483 0.4958 0.5080 0.0366 0.0950 0.0265 206 PRO C CB 3363 C CG . PRO B 90 ? 0.6218 0.5520 0.5512 0.0301 0.0974 0.0269 206 PRO C CG 3364 C CD . PRO B 90 ? 0.5677 0.4771 0.4592 0.0445 0.1038 0.0180 206 PRO C CD 3365 N N . LYS B 91 ? 0.4288 0.3458 0.3827 0.0421 0.0603 0.0129 207 LYS C N 3366 C CA . LYS B 91 ? 0.4769 0.3823 0.4274 0.0348 0.0429 0.0118 207 LYS C CA 3367 C C . LYS B 91 ? 0.5442 0.4586 0.5015 0.0188 0.0354 0.0155 207 LYS C C 3368 O O . LYS B 91 ? 0.5590 0.4951 0.5382 0.0131 0.0398 0.0202 207 LYS C O 3369 C CB . LYS B 91 ? 0.3762 0.2920 0.3478 0.0433 0.0364 0.0145 207 LYS C CB 3370 C CG . LYS B 91 ? 0.4922 0.3911 0.4551 0.0601 0.0420 0.0102 207 LYS C CG 3371 C CD . LYS B 91 ? 0.5320 0.3946 0.4638 0.0580 0.0358 0.0030 207 LYS C CD 3372 C CE . LYS B 91 ? 0.5990 0.4391 0.5224 0.0738 0.0397 -0.0031 207 LYS C CE 3373 N NZ . LYS B 91 ? 0.5949 0.3991 0.4927 0.0692 0.0313 -0.0104 207 LYS C NZ 3374 N N . ILE B 92 ? 0.4370 0.3342 0.3772 0.0116 0.0244 0.0134 208 ILE C N 3375 C CA . ILE B 92 ? 0.4089 0.3097 0.3509 -0.0014 0.0179 0.0153 208 ILE C CA 3376 C C . ILE B 92 ? 0.4370 0.3404 0.3838 -0.0041 0.0038 0.0157 208 ILE C C 3377 O O . ILE B 92 ? 0.4379 0.3365 0.3826 0.0031 -0.0012 0.0163 208 ILE C O 3378 C CB . ILE B 92 ? 0.3979 0.2792 0.3141 -0.0066 0.0188 0.0137 208 ILE C CB 3379 C CG1 . ILE B 92 ? 0.4628 0.3247 0.3608 -0.0047 0.0103 0.0107 208 ILE C CG1 3380 C CG2 . ILE B 92 ? 0.5497 0.4282 0.4550 -0.0024 0.0323 0.0138 208 ILE C CG2 3381 C CD1 . ILE B 92 ? 0.4275 0.2750 0.3049 -0.0107 0.0079 0.0099 208 ILE C CD1 3382 N N . SER B 93 ? 0.4326 0.3420 0.3843 -0.0137 -0.0022 0.0157 209 SER C N 3383 C CA . SER B 93 ? 0.3815 0.2919 0.3304 -0.0156 -0.0148 0.0152 209 SER C CA 3384 C C . SER B 93 ? 0.4000 0.2914 0.3259 -0.0191 -0.0166 0.0147 209 SER C C 3385 O O . SER B 93 ? 0.3783 0.2630 0.2981 -0.0252 -0.0128 0.0138 209 SER C O 3386 C CB . SER B 93 ? 0.3818 0.3085 0.3480 -0.0230 -0.0215 0.0129 209 SER C CB 3387 O OG . SER B 93 ? 0.4394 0.3668 0.3974 -0.0228 -0.0336 0.0109 209 SER C OG 3388 N N . PHE B 94 ? 0.3466 0.2309 0.2623 -0.0148 -0.0220 0.0171 210 PHE C N 3389 C CA . PHE B 94 ? 0.3460 0.2151 0.2443 -0.0174 -0.0226 0.0185 210 PHE C CA 3390 C C . PHE B 94 ? 0.3419 0.2129 0.2349 -0.0155 -0.0298 0.0227 210 PHE C C 3391 O O . PHE B 94 ? 0.3990 0.2706 0.2940 -0.0098 -0.0324 0.0275 210 PHE C O 3392 C CB . PHE B 94 ? 0.3733 0.2278 0.2642 -0.0144 -0.0188 0.0187 210 PHE C CB 3393 C CG . PHE B 94 ? 0.4174 0.2590 0.2949 -0.0186 -0.0207 0.0201 210 PHE C CG 3394 C CD1 . PHE B 94 ? 0.3505 0.1885 0.2266 -0.0186 -0.0258 0.0256 210 PHE C CD1 3395 C CD2 . PHE B 94 ? 0.4348 0.2699 0.3027 -0.0223 -0.0174 0.0174 210 PHE C CD2 3396 C CE1 . PHE B 94 ? 0.3828 0.2129 0.2522 -0.0233 -0.0278 0.0281 210 PHE C CE1 3397 C CE2 . PHE B 94 ? 0.4584 0.2853 0.3170 -0.0260 -0.0209 0.0191 210 PHE C CE2 3398 C CZ . PHE B 94 ? 0.3778 0.2031 0.2391 -0.0271 -0.0263 0.0242 210 PHE C CZ 3399 N N . ASP B 95 ? 0.3717 0.2430 0.2572 -0.0191 -0.0316 0.0218 211 ASP C N 3400 C CA . ASP B 95 ? 0.3473 0.2214 0.2241 -0.0159 -0.0359 0.0262 211 ASP C CA 3401 C C . ASP B 95 ? 0.3984 0.2683 0.2656 -0.0189 -0.0343 0.0246 211 ASP C C 3402 O O . ASP B 95 ? 0.4101 0.2816 0.2770 -0.0210 -0.0355 0.0178 211 ASP C O 3403 C CB . ASP B 95 ? 0.3854 0.2733 0.2648 -0.0115 -0.0428 0.0247 211 ASP C CB 3404 C CG . ASP B 95 ? 0.5237 0.4157 0.3896 -0.0057 -0.0459 0.0306 211 ASP C CG 3405 O OD1 . ASP B 95 ? 0.4215 0.3073 0.2826 -0.0045 -0.0419 0.0395 211 ASP C OD1 3406 O OD2 . ASP B 95 ? 0.5719 0.4741 0.4321 -0.0023 -0.0526 0.0265 211 ASP C OD2 3407 N N . PRO B 96 ? 0.3656 0.2302 0.2274 -0.0190 -0.0317 0.0310 212 PRO C N 3408 C CA . PRO B 96 ? 0.3653 0.2276 0.2207 -0.0201 -0.0292 0.0313 212 PRO C CA 3409 C C . PRO B 96 ? 0.3754 0.2430 0.2220 -0.0152 -0.0304 0.0281 212 PRO C C 3410 O O . PRO B 96 ? 0.4085 0.2839 0.2498 -0.0098 -0.0330 0.0307 212 PRO C O 3411 C CB . PRO B 96 ? 0.4029 0.2646 0.2594 -0.0204 -0.0279 0.0411 212 PRO C CB 3412 C CG . PRO B 96 ? 0.4195 0.2752 0.2825 -0.0226 -0.0296 0.0424 212 PRO C CG 3413 C CD . PRO B 96 ? 0.4751 0.3353 0.3401 -0.0186 -0.0315 0.0388 212 PRO C CD 3414 N N . ILE B 97 ? 0.3469 0.2088 0.1900 -0.0160 -0.0286 0.0225 213 ILE C N 3415 C CA . ILE B 97 ? 0.3489 0.2112 0.1809 -0.0104 -0.0295 0.0167 213 ILE C CA 3416 C C . ILE B 97 ? 0.3868 0.2471 0.2135 -0.0058 -0.0234 0.0215 213 ILE C C 3417 O O . ILE B 97 ? 0.3517 0.2095 0.1855 -0.0092 -0.0204 0.0274 213 ILE C O 3418 C CB . ILE B 97 ? 0.3802 0.2346 0.2149 -0.0146 -0.0332 0.0043 213 ILE C CB 3419 C CG1 . ILE B 97 ? 0.3758 0.2188 0.2181 -0.0202 -0.0284 0.0049 213 ILE C CG1 3420 C CG2 . ILE B 97 ? 0.4131 0.2752 0.2575 -0.0186 -0.0397 0.0005 213 ILE C CG2 3421 C CD1 . ILE B 97 ? 0.4074 0.2403 0.2555 -0.0256 -0.0305 -0.0048 213 ILE C CD1 3422 N N . PRO B 98 ? 0.4351 0.2979 0.2487 0.0032 -0.0218 0.0191 214 PRO C N 3423 C CA . PRO B 98 ? 0.3855 0.2494 0.1963 0.0099 -0.0144 0.0247 214 PRO C CA 3424 C C . PRO B 98 ? 0.4507 0.3007 0.2655 0.0080 -0.0127 0.0202 214 PRO C C 3425 O O . PRO B 98 ? 0.3981 0.2348 0.2107 0.0054 -0.0159 0.0089 214 PRO C O 3426 C CB . PRO B 98 ? 0.4107 0.2781 0.2025 0.0219 -0.0126 0.0196 214 PRO C CB 3427 C CG . PRO B 98 ? 0.3944 0.2689 0.1801 0.0213 -0.0191 0.0181 214 PRO C CG 3428 C CD . PRO B 98 ? 0.3556 0.2234 0.1551 0.0095 -0.0263 0.0126 214 PRO C CD 3429 N N . ILE B 99 ? 0.3967 0.2507 0.2193 0.0090 -0.0082 0.0301 215 ILE C N 3430 C CA . ILE B 99 ? 0.3849 0.2273 0.2107 0.0096 -0.0060 0.0294 215 ILE C CA 3431 C C . ILE B 99 ? 0.4012 0.2497 0.2256 0.0217 0.0009 0.0352 215 ILE C C 3432 O O . ILE B 99 ? 0.4444 0.3111 0.2755 0.0244 0.0037 0.0464 215 ILE C O 3433 C CB . ILE B 99 ? 0.3775 0.2205 0.2139 0.0009 -0.0082 0.0365 215 ILE C CB 3434 C CG1 . ILE B 99 ? 0.4350 0.2739 0.2733 -0.0088 -0.0126 0.0314 215 ILE C CG1 3435 C CG2 . ILE B 99 ? 0.4895 0.3213 0.3272 0.0031 -0.0058 0.0382 215 ILE C CG2 3436 C CD1 . ILE B 99 ? 0.4773 0.3025 0.3139 -0.0115 -0.0134 0.0210 215 ILE C CD1 3437 N N . HIS B 100 ? 0.4192 0.2522 0.2371 0.0291 0.0039 0.0281 216 HIS C N 3438 C CA . HIS B 100 ? 0.4103 0.2475 0.2274 0.0433 0.0117 0.0330 216 HIS C CA 3439 C C . HIS B 100 ? 0.4651 0.2975 0.2936 0.0435 0.0125 0.0412 216 HIS C C 3440 O O . HIS B 100 ? 0.4422 0.2563 0.2710 0.0370 0.0095 0.0372 216 HIS C O 3441 C CB . HIS B 100 ? 0.4204 0.2401 0.2201 0.0546 0.0148 0.0185 216 HIS C CB 3442 C CG . HIS B 100 ? 0.4966 0.3211 0.2803 0.0566 0.0126 0.0095 216 HIS C CG 3443 N ND1 . HIS B 100 ? 0.5654 0.4033 0.3364 0.0711 0.0201 0.0114 216 HIS C ND1 3444 C CD2 . HIS B 100 ? 0.6376 0.4570 0.4153 0.0473 0.0039 -0.0005 216 HIS C CD2 3445 C CE1 . HIS B 100 ? 0.6614 0.5010 0.4162 0.0708 0.0155 0.0030 216 HIS C CE1 3446 N NE2 . HIS B 100 ? 0.6021 0.4311 0.3619 0.0563 0.0048 -0.0046 216 HIS C NE2 3447 N N . TYR B 101 ? 0.4393 0.2903 0.2783 0.0511 0.0167 0.0541 217 TYR C N 3448 C CA . TYR B 101 ? 0.4366 0.2865 0.2859 0.0538 0.0164 0.0633 217 TYR C CA 3449 C C . TYR B 101 ? 0.5310 0.3755 0.3791 0.0722 0.0251 0.0642 217 TYR C C 3450 O O . TYR B 101 ? 0.4870 0.3476 0.3362 0.0840 0.0323 0.0672 217 TYR C O 3451 C CB . TYR B 101 ? 0.4671 0.3430 0.3330 0.0475 0.0115 0.0776 217 TYR C CB 3452 C CG . TYR B 101 ? 0.5275 0.4001 0.3925 0.0312 0.0026 0.0756 217 TYR C CG 3453 C CD1 . TYR B 101 ? 0.5110 0.3724 0.3738 0.0264 -0.0019 0.0770 217 TYR C CD1 3454 C CD2 . TYR B 101 ? 0.4708 0.3502 0.3355 0.0223 -0.0003 0.0728 217 TYR C CD2 3455 C CE1 . TYR B 101 ? 0.5426 0.4010 0.4019 0.0139 -0.0083 0.0744 217 TYR C CE1 3456 C CE2 . TYR B 101 ? 0.4787 0.3533 0.3420 0.0096 -0.0074 0.0700 217 TYR C CE2 3457 C CZ . TYR B 101 ? 0.4512 0.3157 0.3111 0.0059 -0.0110 0.0701 217 TYR C CZ 3458 O OH . TYR B 101 ? 0.5005 0.3604 0.3564 -0.0044 -0.0164 0.0667 217 TYR C OH 3459 N N . CYS B 102 ? 0.4760 0.2972 0.3220 0.0755 0.0254 0.0625 218 CYS C N 3460 C CA . CYS B 102 ? 0.4791 0.2857 0.3215 0.0938 0.0337 0.0600 218 CYS C CA 3461 C C . CYS B 102 ? 0.4742 0.2793 0.3283 0.1013 0.0344 0.0738 218 CYS C C 3462 O O . CYS B 102 ? 0.5534 0.3567 0.4119 0.0908 0.0278 0.0811 218 CYS C O 3463 C CB . CYS B 102 ? 0.5155 0.2857 0.3418 0.0930 0.0339 0.0414 218 CYS C CB 3464 S SG . CYS B 102 ? 0.6252 0.3958 0.4377 0.0804 0.0282 0.0252 218 CYS C SG 3465 N N . THR B 103 ? 0.5311 0.3376 0.3889 0.1214 0.0429 0.0777 219 THR C N 3466 C CA . THR B 103 ? 0.5326 0.3382 0.4021 0.1324 0.0441 0.0920 219 THR C CA 3467 C C . THR B 103 ? 0.6496 0.4114 0.5096 0.1387 0.0474 0.0849 219 THR C C 3468 O O . THR B 103 ? 0.6177 0.3526 0.4640 0.1424 0.0518 0.0676 219 THR C O 3469 C CB . THR B 103 ? 0.5713 0.4043 0.4548 0.1531 0.0524 0.1027 219 THR C CB 3470 O OG1 . THR B 103 ? 0.6399 0.4684 0.5112 0.1645 0.0625 0.0896 219 THR C OG1 3471 C CG2 . THR B 103 ? 0.5006 0.3791 0.4044 0.1452 0.0463 0.1178 219 THR C CG2 3472 N N . PRO B 104 ? 0.5576 0.3113 0.4247 0.1397 0.0448 0.0986 220 PRO C N 3473 C CA . PRO B 104 ? 0.6360 0.3472 0.4981 0.1465 0.0490 0.0965 220 PRO C CA 3474 C C . PRO B 104 ? 0.6905 0.3926 0.5562 0.1729 0.0589 0.0982 220 PRO C C 3475 O O . PRO B 104 ? 0.6823 0.4156 0.5553 0.1858 0.0632 0.1022 220 PRO C O 3476 C CB . PRO B 104 ? 0.6765 0.3911 0.5447 0.1403 0.0433 0.1154 220 PRO C CB 3477 C CG . PRO B 104 ? 0.6360 0.3972 0.5156 0.1418 0.0375 0.1290 220 PRO C CG 3478 C CD . PRO B 104 ? 0.5824 0.3653 0.4609 0.1334 0.0366 0.1168 220 PRO C CD 3479 N N . ALA B 105 ? 0.7371 0.3968 0.5994 0.1811 0.0634 0.0959 221 ALA C N 3480 C CA . ALA B 105 ? 0.7435 0.3921 0.6096 0.2056 0.0727 0.0950 221 ALA C CA 3481 C C . ALA B 105 ? 0.7076 0.3958 0.5931 0.2197 0.0734 0.1176 221 ALA C C 3482 O O . ALA B 105 ? 0.7917 0.4979 0.6870 0.2104 0.0653 0.1343 221 ALA C O 3483 C CB . ALA B 105 ? 0.8025 0.4089 0.6693 0.2018 0.0729 0.0876 221 ALA C CB 3484 N N . GLY B 106 ? 0.7150 0.4193 0.6059 0.2420 0.0827 0.1172 222 GLY C N 3485 C CA . GLY B 106 ? 0.7384 0.4848 0.6521 0.2557 0.0834 0.1378 222 GLY C CA 3486 C C . GLY B 106 ? 0.7598 0.5563 0.6850 0.2537 0.0809 0.1481 222 GLY C C 3487 O O . GLY B 106 ? 0.7417 0.5804 0.6902 0.2623 0.0800 0.1649 222 GLY C O 3488 N N . TYR B 107 ? 0.6692 0.4661 0.5812 0.2360 0.0777 0.1353 223 TYR C N 3489 C CA . TYR B 107 ? 0.5847 0.4303 0.5091 0.2251 0.0735 0.1409 223 TYR C CA 3490 C C . TYR B 107 ? 0.6069 0.4513 0.5159 0.2231 0.0810 0.1229 223 TYR C C 3491 O O . TYR B 107 ? 0.7292 0.5341 0.6145 0.2210 0.0833 0.1032 223 TYR C O 3492 C CB . TYR B 107 ? 0.5429 0.3994 0.4687 0.1985 0.0577 0.1463 223 TYR C CB 3493 C CG . TYR B 107 ? 0.5349 0.3995 0.4726 0.2001 0.0486 0.1653 223 TYR C CG 3494 C CD1 . TYR B 107 ? 0.6128 0.4388 0.5382 0.2004 0.0473 0.1664 223 TYR C CD1 3495 C CD2 . TYR B 107 ? 0.5425 0.4542 0.5041 0.2008 0.0406 0.1829 223 TYR C CD2 3496 C CE1 . TYR B 107 ? 0.6745 0.5129 0.6088 0.1982 0.0383 0.1808 223 TYR C CE1 3497 C CE2 . TYR B 107 ? 0.5783 0.4999 0.5480 0.2013 0.0300 0.1979 223 TYR C CE2 3498 C CZ . TYR B 107 ? 0.6470 0.5326 0.6012 0.1992 0.0291 0.1953 223 TYR C CZ 3499 O OH . TYR B 107 ? 0.6682 0.5657 0.6276 0.1974 0.0184 0.2075 223 TYR C OH 3500 N N . VAL B 108 ? 0.5548 0.4433 0.4781 0.2233 0.0839 0.1307 224 VAL C N 3501 C CA . VAL B 108 ? 0.6024 0.4960 0.5111 0.2231 0.0919 0.1180 224 VAL C CA 3502 C C . VAL B 108 ? 0.6138 0.5526 0.5405 0.2071 0.0871 0.1298 224 VAL C C 3503 O O . VAL B 108 ? 0.6054 0.5813 0.5618 0.2066 0.0835 0.1490 224 VAL C O 3504 C CB . VAL B 108 ? 0.7834 0.6776 0.6872 0.2536 0.1105 0.1145 224 VAL C CB 3505 C CG1 . VAL B 108 ? 0.8777 0.8053 0.7803 0.2567 0.1205 0.1155 224 VAL C CG1 3506 C CG2 . VAL B 108 ? 0.8969 0.7352 0.7698 0.2637 0.1145 0.0915 224 VAL C CG2 3507 N N . ILE B 109 ? 0.5829 0.5176 0.4929 0.1935 0.0857 0.1184 225 ILE C N 3508 C CA . ILE B 109 ? 0.5179 0.4899 0.4438 0.1787 0.0824 0.1291 225 ILE C CA 3509 C C . ILE B 109 ? 0.5560 0.5588 0.4884 0.1951 0.0990 0.1365 225 ILE C C 3510 O O . ILE B 109 ? 0.5655 0.5523 0.4715 0.2082 0.1101 0.1232 225 ILE C O 3511 C CB . ILE B 109 ? 0.5226 0.4770 0.4289 0.1570 0.0734 0.1160 225 ILE C CB 3512 C CG1 . ILE B 109 ? 0.5267 0.4529 0.4267 0.1414 0.0593 0.1095 225 ILE C CG1 3513 C CG2 . ILE B 109 ? 0.5452 0.5344 0.4693 0.1424 0.0703 0.1281 225 ILE C CG2 3514 C CD1 . ILE B 109 ? 0.4812 0.3889 0.3630 0.1227 0.0516 0.0959 225 ILE C CD1 3515 N N . LEU B 110 ? 0.5245 0.5727 0.4924 0.1944 0.1005 0.1579 226 LEU C N 3516 C CA . LEU B 110 ? 0.5366 0.6207 0.5164 0.2076 0.1176 0.1696 226 LEU C CA 3517 C C . LEU B 110 ? 0.5570 0.6563 0.5382 0.1878 0.1148 0.1735 226 LEU C C 3518 O O . LEU B 110 ? 0.4996 0.6059 0.4975 0.1640 0.0992 0.1791 226 LEU C O 3519 C CB . LEU B 110 ? 0.5278 0.6569 0.5514 0.2178 0.1220 0.1930 226 LEU C CB 3520 C CG . LEU B 110 ? 0.5392 0.6589 0.5654 0.2427 0.1279 0.1932 226 LEU C CG 3521 C CD1 . LEU B 110 ? 0.5575 0.7305 0.6307 0.2545 0.1340 0.2185 226 LEU C CD1 3522 C CD2 . LEU B 110 ? 0.5457 0.6334 0.5350 0.2677 0.1453 0.1754 226 LEU C CD2 3523 N N . LYS B 111 ? 0.5242 0.6269 0.4856 0.1989 0.1300 0.1706 227 LYS C N 3524 C CA . LYS B 111 ? 0.4996 0.6125 0.4577 0.1829 0.1289 0.1748 227 LYS C CA 3525 C C . LYS B 111 ? 0.4421 0.6008 0.4232 0.1922 0.1470 0.1973 227 LYS C C 3526 O O . LYS B 111 ? 0.5548 0.7229 0.5239 0.2179 0.1667 0.1984 227 LYS C O 3527 C CB . LYS B 111 ? 0.5129 0.5885 0.4233 0.1849 0.1287 0.1521 227 LYS C CB 3528 C CG . LYS B 111 ? 0.5164 0.6009 0.4191 0.1723 0.1287 0.1569 227 LYS C CG 3529 C CD . LYS B 111 ? 0.6077 0.6576 0.4635 0.1758 0.1261 0.1339 227 LYS C CD 3530 C CE . LYS B 111 ? 0.5588 0.6191 0.4056 0.1665 0.1267 0.1409 227 LYS C CE 3531 N NZ . LYS B 111 ? 0.5753 0.6059 0.3772 0.1707 0.1223 0.1188 227 LYS C NZ 3532 N N . CYS B 112 ? 0.4507 0.6371 0.4651 0.1714 0.1409 0.2155 228 CYS C N 3533 C CA . CYS B 112 ? 0.4626 0.6938 0.5044 0.1758 0.1578 0.2402 228 CYS C CA 3534 C C . CYS B 112 ? 0.5375 0.7612 0.5472 0.1780 0.1682 0.2384 228 CYS C C 3535 O O . CYS B 112 ? 0.4885 0.6885 0.4820 0.1597 0.1550 0.2297 228 CYS C O 3536 C CB . CYS B 112 ? 0.5311 0.7932 0.6253 0.1508 0.1456 0.2607 228 CYS C CB 3537 S SG . CYS B 112 ? 0.6963 1.0152 0.8334 0.1516 0.1660 0.2949 228 CYS C SG 3538 N N . ASN B 113 ? 0.5507 0.7960 0.5504 0.2020 0.1924 0.2475 229 ASN C N 3539 C CA . ASN B 113 ? 0.5738 0.8122 0.5368 0.2085 0.2027 0.2453 229 ASN C CA 3540 C C . ASN B 113 ? 0.6194 0.8928 0.6138 0.2053 0.2105 0.2687 229 ASN C C 3541 O O . ASN B 113 ? 0.7024 0.9708 0.6709 0.2135 0.2163 0.2660 229 ASN C O 3542 C CB . ASN B 113 ? 0.6254 0.8388 0.5381 0.2371 0.2122 0.2224 229 ASN C CB 3543 C CG . ASN B 113 ? 0.7515 0.9196 0.6352 0.2366 0.1976 0.1936 229 ASN C CG 3544 O OD1 . ASN B 113 ? 0.7887 0.9246 0.6458 0.2228 0.1821 0.1764 229 ASN C OD1 3545 N ND2 . ASN B 113 ? 0.7607 0.9245 0.6538 0.2506 0.2000 0.1880 229 ASN C ND2 3546 N N . ASP B 114 ? 0.5368 0.8456 0.5874 0.1930 0.2097 0.2920 230 ASP C N 3547 C CA . ASP B 114 ? 0.5574 0.8976 0.6427 0.1861 0.2151 0.3156 230 ASP C CA 3548 C C . ASP B 114 ? 0.5089 0.8331 0.5903 0.1632 0.2035 0.3155 230 ASP C C 3549 O O . ASP B 114 ? 0.4925 0.8000 0.5818 0.1403 0.1863 0.3102 230 ASP C O 3550 C CB . ASP B 114 ? 0.5774 0.9568 0.7261 0.1751 0.2127 0.3386 230 ASP C CB 3551 C CG . ASP B 114 ? 0.7411 1.1421 0.8989 0.2004 0.2261 0.3430 230 ASP C CG 3552 O OD1 . ASP B 114 ? 0.8953 1.2830 1.0118 0.2273 0.2402 0.3316 230 ASP C OD1 3553 O OD2 . ASP B 114 ? 0.6768 1.1064 0.8823 0.1932 0.2209 0.3571 230 ASP C OD2 3554 N N . LYS B 115 ? 0.5614 0.8896 0.6295 0.1704 0.2128 0.3218 231 LYS C N 3555 C CA . LYS B 115 ? 0.6367 0.9482 0.6968 0.1531 0.2038 0.3214 231 LYS C CA 3556 C C . LYS B 115 ? 0.5806 0.9055 0.6936 0.1245 0.1926 0.3393 231 LYS C C 3557 O O . LYS B 115 ? 0.5678 0.8712 0.6773 0.1058 0.1800 0.3350 231 LYS C O 3558 C CB . LYS B 115 ? 0.7087 1.0259 0.7445 0.1699 0.2180 0.3270 231 LYS C CB 3559 C CG . LYS B 115 ? 0.7661 1.0612 0.7419 0.1947 0.2238 0.3044 231 LYS C CG 3560 C CD . LYS B 115 ? 0.9080 1.1639 0.8465 0.1846 0.2073 0.2803 231 LYS C CD 3561 C CE . LYS B 115 ? 0.9680 1.2005 0.8493 0.2073 0.2097 0.2554 231 LYS C CE 3562 N NZ . LYS B 115 ? 1.0097 1.2544 0.8681 0.2285 0.2241 0.2608 231 LYS C NZ 3563 N N . ASN B 116 ? 0.4617 0.8207 0.6236 0.1213 0.1962 0.3587 232 ASN C N 3564 C CA . ASN B 116 ? 0.5381 0.9107 0.7529 0.0940 0.1842 0.3754 232 ASN C CA 3565 C C . ASN B 116 ? 0.4649 0.8406 0.7101 0.0769 0.1673 0.3723 232 ASN C C 3566 O O . ASN B 116 ? 0.5276 0.9204 0.8217 0.0562 0.1565 0.3862 232 ASN C O 3567 C CB . ASN B 116 ? 0.5431 0.9540 0.7971 0.0986 0.1977 0.4025 232 ASN C CB 3568 C CG . ASN B 116 ? 0.6622 1.1030 0.9256 0.1210 0.2119 0.4099 232 ASN C CG 3569 O OD1 . ASN B 116 ? 0.5843 1.0185 0.8313 0.1313 0.2102 0.3956 232 ASN C OD1 3570 N ND2 . ASN B 116 ? 0.6587 1.1319 0.9489 0.1294 0.2265 0.4331 232 ASN C ND2 3571 N N . PHE B 117 ? 0.4048 0.7628 0.6199 0.0854 0.1642 0.3539 233 PHE C N 3572 C CA . PHE B 117 ? 0.5053 0.8665 0.7438 0.0723 0.1491 0.3509 233 PHE C CA 3573 C C . PHE B 117 ? 0.5303 0.8719 0.7857 0.0403 0.1258 0.3476 233 PHE C C 3574 O O . PHE B 117 ? 0.4443 0.7489 0.6652 0.0335 0.1186 0.3326 233 PHE C O 3575 C CB . PHE B 117 ? 0.4940 0.8330 0.6890 0.0891 0.1518 0.3315 233 PHE C CB 3576 C CG . PHE B 117 ? 0.4589 0.7943 0.6712 0.0793 0.1324 0.3226 233 PHE C CG 3577 C CD1 . PHE B 117 ? 0.4561 0.8316 0.7159 0.0812 0.1322 0.3377 233 PHE C CD1 3578 C CD2 . PHE B 117 ? 0.5034 0.7942 0.6833 0.0698 0.1120 0.2967 233 PHE C CD2 3579 C CE1 . PHE B 117 ? 0.4379 0.8079 0.7097 0.0740 0.1107 0.3271 233 PHE C CE1 3580 C CE2 . PHE B 117 ? 0.5021 0.7868 0.6931 0.0627 0.0926 0.2867 233 PHE C CE2 3581 C CZ . PHE B 117 ? 0.4220 0.7456 0.6573 0.0650 0.0913 0.3017 233 PHE C CZ 3582 N N . ASN B 118 ? 0.5043 0.8697 0.8122 0.0213 0.1128 0.3599 234 ASN C N 3583 C CA . ASN B 118 ? 0.3426 0.6890 0.6693 -0.0091 0.0894 0.3560 234 ASN C CA 3584 C C . ASN B 118 ? 0.3485 0.6731 0.6643 -0.0211 0.0690 0.3389 234 ASN C C 3585 O O . ASN B 118 ? 0.3764 0.6748 0.6936 -0.0431 0.0488 0.3289 234 ASN C O 3586 C CB . ASN B 118 ? 0.5519 0.9280 0.9373 -0.0257 0.0815 0.3743 234 ASN C CB 3587 C CG . ASN B 118 ? 0.6472 1.0640 1.0708 -0.0212 0.0794 0.3847 234 ASN C CG 3588 O OD1 . ASN B 118 ? 0.5591 0.9793 0.9730 -0.0133 0.0762 0.3761 234 ASN C OD1 3589 N ND2 . ASN B 118 ? 0.7778 1.2257 1.2457 -0.0258 0.0813 0.4039 234 ASN C ND2 3590 N N . GLY B 119 ? 0.3673 0.6930 0.6638 -0.0022 0.0698 0.3268 235 GLY C N 3591 C CA . GLY B 119 ? 0.4051 0.7022 0.6804 -0.0070 0.0473 0.3027 235 GLY C CA 3592 C C . GLY B 119 ? 0.4027 0.7283 0.7062 -0.0021 0.0386 0.3063 235 GLY C C 3593 O O . GLY B 119 ? 0.4260 0.7325 0.7029 0.0069 0.0298 0.2894 235 GLY C O 3594 N N . THR B 120 ? 0.3660 0.7389 0.7255 -0.0081 0.0409 0.3299 236 THR C N 3595 C CA . THR B 120 ? 0.4291 0.8364 0.8221 -0.0030 0.0320 0.3365 236 THR C CA 3596 C C . THR B 120 ? 0.3909 0.8493 0.8195 0.0160 0.0565 0.3618 236 THR C C 3597 O O . THR B 120 ? 0.4993 0.9735 0.9394 0.0177 0.0772 0.3786 236 THR C O 3598 C CB . THR B 120 ? 0.4559 0.8782 0.8929 -0.0321 0.0034 0.3398 236 THR C CB 3599 O OG1 . THR B 120 ? 0.5695 1.0196 1.0547 -0.0497 0.0089 0.3618 236 THR C OG1 3600 C CG2 . THR B 120 ? 0.3734 0.7457 0.7735 -0.0490 -0.0199 0.3141 236 THR C CG2 3601 N N . GLY B 121 ? 0.3263 0.8110 0.7718 0.0319 0.0550 0.3657 237 GLY C N 3602 C CA . GLY B 121 ? 0.3710 0.9028 0.8495 0.0519 0.0771 0.3882 237 GLY C CA 3603 C C . GLY B 121 ? 0.4229 0.9468 0.8634 0.0881 0.1032 0.3828 237 GLY C C 3604 O O . GLY B 121 ? 0.5043 0.9801 0.8902 0.0967 0.0989 0.3585 237 GLY C O 3605 N N . PRO B 122 ? 0.4362 0.9814 0.8832 0.1073 0.1250 0.3970 238 PRO C N 3606 C CA . PRO B 122 ? 0.4857 1.0217 0.8958 0.1431 0.1495 0.3910 238 PRO C CA 3607 C C . PRO B 122 ? 0.5326 1.0386 0.8929 0.1531 0.1682 0.3810 238 PRO C C 3608 O O . PRO B 122 ? 0.4983 0.9994 0.8590 0.1354 0.1676 0.3864 238 PRO C O 3609 C CB . PRO B 122 ? 0.5342 1.1063 0.9742 0.1546 0.1628 0.4116 238 PRO C CB 3610 C CG . PRO B 122 ? 0.5360 1.1272 1.0138 0.1270 0.1550 0.4285 238 PRO C CG 3611 C CD . PRO B 122 ? 0.3999 0.9780 0.8909 0.0957 0.1260 0.4191 238 PRO C CD 3612 N N . CYS B 123 ? 0.4992 0.9811 0.8143 0.1814 0.1827 0.3650 239 CYS C N 3613 C CA . CYS B 123 ? 0.5147 0.9647 0.7751 0.1935 0.1986 0.3518 239 CYS C CA 3614 C C . CYS B 123 ? 0.5490 0.9944 0.7798 0.2285 0.2199 0.3474 239 CYS C C 3615 O O . CYS B 123 ? 0.5716 1.0100 0.7963 0.2471 0.2212 0.3387 239 CYS C O 3616 C CB . CYS B 123 ? 0.4673 0.8636 0.6806 0.1856 0.1834 0.3235 239 CYS C CB 3617 S SG . CYS B 123 ? 0.7368 1.0931 0.8841 0.1932 0.1957 0.3063 239 CYS C SG 3618 N N . LYS B 124 ? 0.5314 0.9788 0.7435 0.2374 0.2351 0.3530 240 LYS C N 3619 C CA . LYS B 124 ? 0.5554 1.0008 0.7404 0.2696 0.2551 0.3501 240 LYS C CA 3620 C C . LYS B 124 ? 0.6434 1.0409 0.7618 0.2889 0.2603 0.3204 240 LYS C C 3621 O O . LYS B 124 ? 0.7691 1.1519 0.8642 0.3140 0.2691 0.3085 240 LYS C O 3622 C CB . LYS B 124 ? 0.6601 1.1321 0.8564 0.2726 0.2690 0.3706 240 LYS C CB 3623 C CG . LYS B 124 ? 0.7313 1.2493 0.9943 0.2540 0.2643 0.3999 240 LYS C CG 3624 C CD . LYS B 124 ? 0.7689 1.3109 1.0649 0.2632 0.2638 0.4075 240 LYS C CD 3625 C CE . LYS B 124 ? 0.8355 1.3809 1.1089 0.2977 0.2862 0.4074 240 LYS C CE 3626 N NZ . LYS B 124 ? 0.8318 1.4004 1.1382 0.3071 0.2857 0.4154 240 LYS C NZ 3627 N N . ASN B 125 ? 0.5608 0.9317 0.6485 0.2761 0.2535 0.3075 241 ASN C N 3628 C CA . ASN B 125 ? 0.6653 0.9891 0.6901 0.2902 0.2544 0.2776 241 ASN C CA 3629 C C . ASN B 125 ? 0.5469 0.8411 0.5620 0.2800 0.2401 0.2593 241 ASN C C 3630 O O . ASN B 125 ? 0.5857 0.8660 0.5928 0.2581 0.2285 0.2547 241 ASN C O 3631 C CB . ASN B 125 ? 0.7991 1.1101 0.7909 0.2849 0.2552 0.2731 241 ASN C CB 3632 C CG . ASN B 125 ? 1.0607 1.3290 0.9876 0.3039 0.2573 0.2435 241 ASN C CG 3633 O OD1 . ASN B 125 ? 1.0608 1.2960 0.9633 0.3102 0.2514 0.2209 241 ASN C OD1 3634 N ND2 . ASN B 125 ? 1.3663 1.6346 1.2660 0.3128 0.2646 0.2433 241 ASN C ND2 3635 N N . VAL B 126 ? 0.5839 0.8666 0.5993 0.2962 0.2405 0.2494 242 VAL C N 3636 C CA . VAL B 126 ? 0.5454 0.7909 0.5528 0.2841 0.2197 0.2309 242 VAL C CA 3637 C C . VAL B 126 ? 0.6555 0.8478 0.6077 0.3022 0.2207 0.1997 242 VAL C C 3638 O O . VAL B 126 ? 0.7461 0.9349 0.6813 0.3317 0.2378 0.1940 242 VAL C O 3639 C CB . VAL B 126 ? 0.5707 0.8369 0.6246 0.2836 0.2115 0.2435 242 VAL C CB 3640 C CG1 . VAL B 126 ? 0.4982 0.7216 0.5403 0.2675 0.1864 0.2257 242 VAL C CG1 3641 C CG2 . VAL B 126 ? 0.5139 0.8348 0.6261 0.2652 0.2087 0.2733 242 VAL C CG2 3642 N N . SER B 127 ? 0.5996 0.7487 0.5248 0.2827 0.2008 0.1791 243 SER C N 3643 C CA . SER B 127 ? 0.6812 0.7772 0.5598 0.2941 0.1973 0.1489 243 SER C CA 3644 C C . SER B 127 ? 0.7057 0.7686 0.5909 0.2770 0.1756 0.1385 243 SER C C 3645 O O . SER B 127 ? 0.6510 0.7289 0.5673 0.2541 0.1614 0.1514 243 SER C O 3646 C CB . SER B 127 ? 0.7341 0.8083 0.5681 0.2891 0.1954 0.1320 243 SER C CB 3647 O OG . SER B 127 ? 0.7358 0.8099 0.5795 0.2579 0.1778 0.1359 243 SER C OG 3648 N N . SER B 128 ? 0.7069 0.7238 0.5620 0.2885 0.1734 0.1153 244 SER C N 3649 C CA . SER B 128 ? 0.7026 0.6853 0.5612 0.2739 0.1553 0.1064 244 SER C CA 3650 C C . SER B 128 ? 0.7209 0.6596 0.5438 0.2588 0.1424 0.0814 244 SER C C 3651 O O . SER B 128 ? 0.7617 0.6754 0.5485 0.2720 0.1481 0.0613 244 SER C O 3652 C CB . SER B 128 ? 0.8098 0.7733 0.6712 0.2974 0.1621 0.1031 244 SER C CB 3653 O OG . SER B 128 ? 0.9632 0.8900 0.7853 0.3185 0.1717 0.0794 244 SER C OG 3654 N N . VAL B 129 ? 0.6835 0.6142 0.5167 0.2317 0.1245 0.0825 245 VAL C N 3655 C CA . VAL B 129 ? 0.6980 0.5919 0.5048 0.2155 0.1114 0.0615 245 VAL C CA 3656 C C . VAL B 129 ? 0.6721 0.5376 0.4878 0.2015 0.0979 0.0581 245 VAL C C 3657 O O . VAL B 129 ? 0.5965 0.4767 0.4391 0.1991 0.0953 0.0746 245 VAL C O 3658 C CB . VAL B 129 ? 0.6814 0.5941 0.4877 0.1950 0.1042 0.0658 245 VAL C CB 3659 C CG1 . VAL B 129 ? 0.6331 0.5698 0.4250 0.2089 0.1181 0.0693 245 VAL C CG1 3660 C CG2 . VAL B 129 ? 0.5715 0.5124 0.4136 0.1765 0.0963 0.0867 245 VAL C CG2 3661 N N . GLN B 130 ? 0.6232 0.4498 0.4169 0.1924 0.0890 0.0375 246 GLN C N 3662 C CA . GLN B 130 ? 0.6980 0.4971 0.4993 0.1780 0.0777 0.0352 246 GLN C CA 3663 C C . GLN B 130 ? 0.6515 0.4616 0.4616 0.1514 0.0649 0.0402 246 GLN C C 3664 O O . GLN B 130 ? 0.5993 0.4032 0.4225 0.1393 0.0573 0.0473 246 GLN C O 3665 C CB . GLN B 130 ? 0.9109 0.6616 0.6895 0.1810 0.0752 0.0115 246 GLN C CB 3666 C CG . GLN B 130 ? 1.1128 0.8386 0.8906 0.2033 0.0843 0.0090 246 GLN C CG 3667 C CD . GLN B 130 ? 1.2807 1.0287 1.0544 0.2305 0.1002 0.0132 246 GLN C CD 3668 O OE1 . GLN B 130 ? 1.2982 1.0664 1.0932 0.2441 0.1082 0.0313 246 GLN C OE1 3669 N NE2 . GLN B 130 ? 1.3753 1.1217 1.1217 0.2395 0.1051 -0.0028 246 GLN C NE2 3670 N N . CYS B 131 ? 0.5956 0.4216 0.3967 0.1442 0.0633 0.0370 247 CYS C N 3671 C CA . CYS B 131 ? 0.5721 0.4080 0.3806 0.1214 0.0523 0.0409 247 CYS C CA 3672 C C . CYS B 131 ? 0.5668 0.4373 0.3801 0.1196 0.0556 0.0517 247 CYS C C 3673 O O . CYS B 131 ? 0.5115 0.3940 0.3143 0.1348 0.0660 0.0517 247 CYS C O 3674 C CB . CYS B 131 ? 0.6900 0.4975 0.4810 0.1096 0.0433 0.0217 247 CYS C CB 3675 S SG . CYS B 131 ? 0.8295 0.5953 0.6211 0.1049 0.0383 0.0116 247 CYS C SG 3676 N N . THR B 132 ? 0.5221 0.4073 0.3507 0.1017 0.0474 0.0614 248 THR C N 3677 C CA . THR B 132 ? 0.4993 0.4119 0.3341 0.0968 0.0490 0.0718 248 THR C CA 3678 C C . THR B 132 ? 0.4613 0.3626 0.2731 0.0930 0.0457 0.0588 248 THR C C 3679 O O . THR B 132 ? 0.5015 0.3760 0.2967 0.0912 0.0401 0.0417 248 THR C O 3680 C CB . THR B 132 ? 0.4869 0.4136 0.3447 0.0786 0.0396 0.0840 248 THR C CB 3681 O OG1 . THR B 132 ? 0.4367 0.3417 0.2866 0.0640 0.0288 0.0732 248 THR C OG1 3682 C CG2 . THR B 132 ? 0.4224 0.3608 0.3022 0.0809 0.0389 0.0958 248 THR C CG2 3683 N N . HIS B 133 ? 0.4362 0.3587 0.2489 0.0913 0.0486 0.0683 249 HIS C N 3684 C CA . HIS B 133 ? 0.5100 0.4258 0.3030 0.0872 0.0438 0.0593 249 HIS C CA 3685 C C . HIS B 133 ? 0.4902 0.3936 0.2910 0.0678 0.0303 0.0547 249 HIS C C 3686 O O . HIS B 133 ? 0.5261 0.4292 0.3460 0.0578 0.0260 0.0605 249 HIS C O 3687 C CB . HIS B 133 ? 0.4979 0.4401 0.2919 0.0909 0.0515 0.0748 249 HIS C CB 3688 C CG . HIS B 133 ? 0.5582 0.5186 0.3824 0.0767 0.0492 0.0934 249 HIS C CG 3689 N ND1 . HIS B 133 ? 0.5512 0.5290 0.4026 0.0759 0.0531 0.1075 249 HIS C ND1 3690 C CD2 . HIS B 133 ? 0.5090 0.4718 0.3411 0.0627 0.0422 0.0995 249 HIS C CD2 3691 C CE1 . HIS B 133 ? 0.5064 0.4955 0.3806 0.0606 0.0475 0.1200 249 HIS C CE1 3692 N NE2 . HIS B 133 ? 0.4659 0.4443 0.3283 0.0529 0.0416 0.1153 249 HIS C NE2 3693 N N . GLY B 134 ? 0.4503 0.3449 0.2355 0.0637 0.0237 0.0444 250 GLY C N 3694 C CA . GLY B 134 ? 0.4830 0.3679 0.2758 0.0477 0.0126 0.0400 250 GLY C CA 3695 C C . GLY B 134 ? 0.3783 0.2781 0.1889 0.0376 0.0110 0.0551 250 GLY C C 3696 O O . GLY B 134 ? 0.3754 0.2884 0.1835 0.0398 0.0136 0.0638 250 GLY C O 3697 N N . ILE B 135 ? 0.4139 0.3100 0.2411 0.0269 0.0066 0.0582 251 ILE C N 3698 C CA . ILE B 135 ? 0.4389 0.3445 0.2830 0.0166 0.0034 0.0697 251 ILE C CA 3699 C C . ILE B 135 ? 0.3493 0.2419 0.1941 0.0054 -0.0052 0.0623 251 ILE C C 3700 O O . ILE B 135 ? 0.3823 0.2626 0.2266 0.0014 -0.0084 0.0546 251 ILE C O 3701 C CB . ILE B 135 ? 0.4120 0.3267 0.2744 0.0139 0.0039 0.0794 251 ILE C CB 3702 C CG1 . ILE B 135 ? 0.4574 0.3883 0.3231 0.0266 0.0139 0.0880 251 ILE C CG1 3703 C CG2 . ILE B 135 ? 0.4043 0.3264 0.2840 0.0020 -0.0015 0.0890 251 ILE C CG2 3704 C CD1 . ILE B 135 ? 0.4611 0.4043 0.3470 0.0257 0.0134 0.0977 251 ILE C CD1 3705 N N . LYS B 136 ? 0.3568 0.2524 0.2033 0.0016 -0.0077 0.0661 252 LYS C N 3706 C CA . LYS B 136 ? 0.3594 0.2445 0.2085 -0.0070 -0.0144 0.0604 252 LYS C CA 3707 C C . LYS B 136 ? 0.3244 0.2075 0.1870 -0.0159 -0.0178 0.0652 252 LYS C C 3708 O O . LYS B 136 ? 0.3861 0.2776 0.2602 -0.0186 -0.0175 0.0761 252 LYS C O 3709 C CB . LYS B 136 ? 0.3576 0.2456 0.2036 -0.0056 -0.0160 0.0630 252 LYS C CB 3710 C CG . LYS B 136 ? 0.3710 0.2600 0.2010 0.0022 -0.0168 0.0547 252 LYS C CG 3711 C CD . LYS B 136 ? 0.3779 0.2706 0.2056 0.0038 -0.0206 0.0579 252 LYS C CD 3712 C CE . LYS B 136 ? 0.3407 0.2358 0.1523 0.0106 -0.0249 0.0476 252 LYS C CE 3713 N NZ . LYS B 136 ? 0.3765 0.2782 0.1853 0.0141 -0.0296 0.0525 252 LYS C NZ 3714 N N . PRO B 137 ? 0.4034 0.2469 0.1729 -0.0164 0.0102 0.0436 253 PRO C N 3715 C CA . PRO B 137 ? 0.3947 0.2319 0.1615 -0.0204 0.0006 0.0474 253 PRO C CA 3716 C C . PRO B 137 ? 0.3788 0.2140 0.1501 -0.0283 -0.0094 0.0440 253 PRO C C 3717 O O . PRO B 137 ? 0.4504 0.2693 0.2114 -0.0314 -0.0105 0.0355 253 PRO C O 3718 C CB . PRO B 137 ? 0.4644 0.2797 0.2133 -0.0187 0.0087 0.0392 253 PRO C CB 3719 C CG . PRO B 137 ? 0.4318 0.2416 0.1796 -0.0195 0.0195 0.0271 253 PRO C CG 3720 C CD . PRO B 137 ? 0.3784 0.2051 0.1362 -0.0155 0.0214 0.0309 253 PRO C CD 3721 N N . VAL B 138 ? 0.3722 0.2220 0.1574 -0.0308 -0.0154 0.0512 254 VAL C N 3722 C CA . VAL B 138 ? 0.3704 0.2155 0.1592 -0.0374 -0.0245 0.0490 254 VAL C CA 3723 C C . VAL B 138 ? 0.4064 0.2464 0.1963 -0.0438 -0.0373 0.0538 254 VAL C C 3724 O O . VAL B 138 ? 0.4531 0.3071 0.2555 -0.0462 -0.0433 0.0655 254 VAL C O 3725 C CB . VAL B 138 ? 0.4384 0.2973 0.2392 -0.0375 -0.0254 0.0562 254 VAL C CB 3726 C CG1 . VAL B 138 ? 0.4415 0.2907 0.2433 -0.0427 -0.0338 0.0535 254 VAL C CG1 3727 C CG2 . VAL B 138 ? 0.3788 0.2438 0.1761 -0.0303 -0.0148 0.0509 254 VAL C CG2 3728 N N . VAL B 139 ? 0.3879 0.2083 0.1651 -0.0466 -0.0413 0.0442 255 VAL C N 3729 C CA . VAL B 139 ? 0.4258 0.2371 0.1994 -0.0526 -0.0549 0.0457 255 VAL C CA 3730 C C . VAL B 139 ? 0.4329 0.2395 0.2147 -0.0598 -0.0643 0.0467 255 VAL C C 3731 O O . VAL B 139 ? 0.5219 0.3149 0.2968 -0.0588 -0.0623 0.0377 255 VAL C O 3732 C CB . VAL B 139 ? 0.4274 0.2164 0.1778 -0.0505 -0.0537 0.0348 255 VAL C CB 3733 C CG1 . VAL B 139 ? 0.4706 0.2485 0.2134 -0.0561 -0.0696 0.0350 255 VAL C CG1 3734 C CG2 . VAL B 139 ? 0.4584 0.2474 0.1984 -0.0433 -0.0429 0.0350 255 VAL C CG2 3735 N N . SER B 140 ? 0.4766 0.2946 0.2744 -0.0668 -0.0739 0.0579 256 SER C N 3736 C CA . SER B 140 ? 0.4689 0.2795 0.2749 -0.0749 -0.0824 0.0606 256 SER C CA 3737 C C . SER B 140 ? 0.4124 0.2287 0.2325 -0.0860 -0.0966 0.0692 256 SER C C 3738 O O . SER B 140 ? 0.4796 0.3112 0.3060 -0.0861 -0.1000 0.0742 256 SER C O 3739 C CB . SER B 140 ? 0.4689 0.2913 0.2865 -0.0723 -0.0743 0.0679 256 SER C CB 3740 O OG . SER B 140 ? 0.5299 0.3772 0.3654 -0.0733 -0.0712 0.0820 256 SER C OG 3741 N N . THR B 141 ? 0.4783 0.2819 0.3040 -0.0953 -0.1053 0.0706 257 THR C N 3742 C CA . THR B 141 ? 0.4339 0.2426 0.2772 -0.1088 -0.1194 0.0784 257 THR C CA 3743 C C . THR B 141 ? 0.4272 0.2430 0.2916 -0.1162 -0.1167 0.0916 257 THR C C 3744 O O . THR B 141 ? 0.5511 0.3591 0.4094 -0.1103 -0.1073 0.0920 257 THR C O 3745 C CB . THR B 141 ? 0.5274 0.3069 0.3550 -0.1161 -0.1348 0.0666 257 THR C CB 3746 O OG1 . THR B 141 ? 0.5714 0.3240 0.3871 -0.1152 -0.1327 0.0600 257 THR C OG1 3747 C CG2 . THR B 141 ? 0.5748 0.3456 0.3777 -0.1079 -0.1363 0.0547 257 THR C CG2 3748 N N . GLN B 142 ? 0.4755 0.3069 0.3650 -0.1289 -0.1249 0.1027 258 GLN C N 3749 C CA . GLN B 142 ? 0.4628 0.3012 0.3747 -0.1383 -0.1214 0.1177 258 GLN C CA 3750 C C . GLN B 142 ? 0.5151 0.3767 0.4344 -0.1282 -0.1033 0.1298 258 GLN C C 3751 O O . GLN B 142 ? 0.5310 0.4198 0.4756 -0.1329 -0.0985 0.1449 258 GLN C O 3752 C CB . GLN B 142 ? 0.5307 0.3336 0.4313 -0.1440 -0.1259 0.1134 258 GLN C CB 3753 C CG . GLN B 142 ? 0.5712 0.3478 0.4642 -0.1553 -0.1442 0.1017 258 GLN C CG 3754 C CD . GLN B 142 ? 0.6372 0.3812 0.5247 -0.1614 -0.1475 0.1000 258 GLN C CD 3755 O OE1 . GLN B 142 ? 0.5340 0.2795 0.4262 -0.1565 -0.1358 0.1086 258 GLN C OE1 3756 N NE2 . GLN B 142 ? 0.6385 0.3599 0.5152 -0.1661 -0.1608 0.0863 258 GLN C NE2 3757 N N . LEU B 143 ? 0.5164 0.3679 0.4139 -0.1144 -0.0932 0.1229 259 LEU C N 3758 C CA . LEU B 143 ? 0.5056 0.3751 0.4042 -0.1037 -0.0774 0.1316 259 LEU C CA 3759 C C . LEU B 143 ? 0.4402 0.3230 0.3284 -0.0905 -0.0696 0.1241 259 LEU C C 3760 O O . LEU B 143 ? 0.4073 0.2755 0.2776 -0.0855 -0.0722 0.1093 259 LEU C O 3761 C CB . LEU B 143 ? 0.4753 0.3250 0.3581 -0.0977 -0.0726 0.1299 259 LEU C CB 3762 C CG . LEU B 143 ? 0.5603 0.3899 0.4485 -0.1084 -0.0782 0.1378 259 LEU C CG 3763 C CD1 . LEU B 143 ? 0.5138 0.3268 0.3846 -0.0967 -0.0729 0.1334 259 LEU C CD1 3764 C CD2 . LEU B 143 ? 0.5466 0.3982 0.4617 -0.1170 -0.0727 0.1557 259 LEU C CD2 3765 N N . LEU B 144 ? 0.4095 0.3185 0.3086 -0.0847 -0.0588 0.1346 260 LEU C N 3766 C CA . LEU B 144 ? 0.3741 0.2926 0.2622 -0.0715 -0.0496 0.1282 260 LEU C CA 3767 C C . LEU B 144 ? 0.4557 0.3691 0.3272 -0.0606 -0.0388 0.1242 260 LEU C C 3768 O O . LEU B 144 ? 0.4328 0.3544 0.3084 -0.0588 -0.0319 0.1352 260 LEU C O 3769 C CB . LEU B 144 ? 0.4001 0.3485 0.3073 -0.0689 -0.0437 0.1405 260 LEU C CB 3770 C CG . LEU B 144 ? 0.4061 0.3654 0.3318 -0.0778 -0.0560 0.1439 260 LEU C CG 3771 C CD1 . LEU B 144 ? 0.4056 0.3997 0.3567 -0.0749 -0.0493 0.1588 260 LEU C CD1 3772 C CD2 . LEU B 144 ? 0.4907 0.4355 0.3979 -0.0733 -0.0627 0.1296 260 LEU C CD2 3773 N N . LEU B 145 ? 0.4252 0.3256 0.2783 -0.0536 -0.0375 0.1086 261 LEU C N 3774 C CA . LEU B 145 ? 0.4140 0.3087 0.2524 -0.0448 -0.0311 0.1016 261 LEU C CA 3775 C C . LEU B 145 ? 0.4068 0.3097 0.2359 -0.0342 -0.0207 0.0947 261 LEU C C 3776 O O . LEU B 145 ? 0.3709 0.2740 0.1987 -0.0331 -0.0191 0.0895 261 LEU C O 3777 C CB . LEU B 145 ? 0.4345 0.3074 0.2618 -0.0460 -0.0380 0.0877 261 LEU C CB 3778 C CG . LEU B 145 ? 0.4615 0.3185 0.2932 -0.0556 -0.0489 0.0908 261 LEU C CG 3779 C CD1 . LEU B 145 ? 0.4482 0.2843 0.2671 -0.0535 -0.0533 0.0754 261 LEU C CD1 3780 C CD2 . LEU B 145 ? 0.4304 0.2896 0.2686 -0.0575 -0.0482 0.1054 261 LEU C CD2 3781 N N . ASN B 146 ? 0.4057 0.3130 0.2263 -0.0261 -0.0142 0.0943 262 ASN C N 3782 C CA . ASN B 146 ? 0.4431 0.3545 0.2523 -0.0164 -0.0052 0.0852 262 ASN C CA 3783 C C . ASN B 146 ? 0.4811 0.4041 0.2949 -0.0126 0.0027 0.0910 262 ASN C C 3784 O O . ASN B 146 ? 0.4150 0.3333 0.2202 -0.0078 0.0080 0.0808 262 ASN C O 3785 C CB . ASN B 146 ? 0.3893 0.2866 0.1893 -0.0164 -0.0073 0.0662 262 ASN C CB 3786 C CG . ASN B 146 ? 0.3370 0.2270 0.1326 -0.0159 -0.0136 0.0590 262 ASN C CG 3787 O OD1 . ASN B 146 ? 0.3886 0.2824 0.1824 -0.0128 -0.0153 0.0672 262 ASN C OD1 3788 N ND2 . ASN B 146 ? 0.4466 0.3260 0.2401 -0.0179 -0.0163 0.0444 262 ASN C ND2 3789 N N . GLY B 147 ? 0.4099 0.3481 0.2384 -0.0148 0.0040 0.1076 263 GLY C N 3790 C CA . GLY B 147 ? 0.4472 0.4002 0.2836 -0.0095 0.0113 0.1149 263 GLY C CA 3791 C C . GLY B 147 ? 0.4636 0.4320 0.2976 0.0008 0.0240 0.1239 263 GLY C C 3792 O O . GLY B 147 ? 0.4563 0.4206 0.2762 0.0055 0.0273 0.1214 263 GLY C O 3793 N N . SER B 148 ? 0.4965 0.4830 0.3432 0.0058 0.0310 0.1346 264 SER C N 3794 C CA . SER B 148 ? 0.5197 0.5209 0.3679 0.0159 0.0437 0.1402 264 SER C CA 3795 C C . SER B 148 ? 0.5043 0.5243 0.3750 0.0097 0.0451 0.1573 264 SER C C 3796 O O . SER B 148 ? 0.5209 0.5462 0.4108 -0.0026 0.0360 0.1662 264 SER C O 3797 C CB . SER B 148 ? 0.7209 0.7311 0.5711 0.0272 0.0525 0.1407 264 SER C CB 3798 O OG . SER B 148 ? 0.8842 0.8735 0.7127 0.0327 0.0534 0.1245 264 SER C OG 3799 N N . LEU B 149 ? 0.4522 0.4813 0.3201 0.0177 0.0563 0.1617 265 LEU C N 3800 C CA . LEU B 149 ? 0.3900 0.4365 0.2784 0.0127 0.0610 0.1784 265 LEU C CA 3801 C C . LEU B 149 ? 0.4209 0.4959 0.3287 0.0212 0.0740 0.1907 265 LEU C C 3802 O O . LEU B 149 ? 0.5703 0.6470 0.4674 0.0351 0.0819 0.1843 265 LEU C O 3803 C CB . LEU B 149 ? 0.5106 0.5458 0.3803 0.0157 0.0648 0.1766 265 LEU C CB 3804 C CG . LEU B 149 ? 0.5342 0.5447 0.3867 0.0091 0.0529 0.1678 265 LEU C CG 3805 C CD1 . LEU B 149 ? 0.5615 0.5636 0.3916 0.0167 0.0571 0.1655 265 LEU C CD1 3806 C CD2 . LEU B 149 ? 0.4919 0.4999 0.3639 -0.0062 0.0441 0.1776 265 LEU C CD2 3807 N N . ALA B 150 ? 0.4382 0.5358 0.3761 0.0130 0.0765 0.2086 266 ALA C N 3808 C CA . ALA B 150 ? 0.4364 0.5657 0.3966 0.0215 0.0907 0.2228 266 ALA C CA 3809 C C . ALA B 150 ? 0.5174 0.6432 0.4583 0.0344 0.1052 0.2211 266 ALA C C 3810 O O . ALA B 150 ? 0.5324 0.6423 0.4586 0.0300 0.1041 0.2194 266 ALA C O 3811 C CB . ALA B 150 ? 0.4332 0.5890 0.4343 0.0063 0.0887 0.2426 266 ALA C CB 3812 N N . GLU B 151 ? 0.4703 0.6095 0.4093 0.0512 0.1183 0.2217 267 GLU C N 3813 C CA . GLU B 151 ? 0.5677 0.7000 0.4829 0.0653 0.1309 0.2176 267 GLU C CA 3814 C C . GLU B 151 ? 0.6356 0.7846 0.5655 0.0635 0.1423 0.2343 267 GLU C C 3815 O O . GLU B 151 ? 0.6508 0.7874 0.5564 0.0703 0.1488 0.2314 267 GLU C O 3816 C CB . GLU B 151 ? 0.7348 0.8713 0.6402 0.0850 0.1413 0.2116 267 GLU C CB 3817 C CG . GLU B 151 ? 0.8686 0.9800 0.7496 0.0887 0.1326 0.1921 267 GLU C CG 3818 C CD . GLU B 151 ? 1.0108 1.1192 0.8769 0.1088 0.1437 0.1849 267 GLU C CD 3819 O OE1 . GLU B 151 ? 1.1016 1.2161 0.9774 0.1145 0.1444 0.1858 267 GLU C OE1 3820 O OE2 . GLU B 151 ? 1.0591 1.1572 0.9021 0.1195 0.1513 0.1785 267 GLU C OE2 3821 N N . GLU B 152 ? 0.5031 0.6805 0.4729 0.0538 0.1445 0.2522 268 GLU C N 3822 C CA . GLU B 152 ? 0.5836 0.7776 0.5711 0.0503 0.1565 0.2691 268 GLU C CA 3823 C C . GLU B 152 ? 0.5556 0.7511 0.5678 0.0274 0.1473 0.2796 268 GLU C C 3824 O O . GLU B 152 ? 0.5713 0.7390 0.5625 0.0192 0.1394 0.2738 268 GLU C O 3825 C CB . GLU B 152 ? 0.6225 0.8530 0.6387 0.0614 0.1720 0.2828 268 GLU C CB 3826 C CG . GLU B 152 ? 0.7101 0.9352 0.6984 0.0857 0.1846 0.2741 268 GLU C CG 3827 C CD . GLU B 152 ? 0.7924 1.0524 0.8080 0.0981 0.2017 0.2890 268 GLU C CD 3828 O OE1 . GLU B 152 ? 0.8233 1.1151 0.8828 0.0869 0.2032 0.3061 268 GLU C OE1 3829 O OE2 . GLU B 152 ? 0.8050 1.0606 0.7990 0.1188 0.2131 0.2832 268 GLU C OE2 3830 N N . GLU B 153 ? 0.4905 0.7181 0.5478 0.0170 0.1478 0.2951 269 GLU C N 3831 C CA . GLU B 153 ? 0.5186 0.7478 0.6031 -0.0065 0.1385 0.3049 269 GLU C CA 3832 C C . GLU B 153 ? 0.5605 0.7775 0.6486 -0.0201 0.1170 0.2966 269 GLU C C 3833 O O . GLU B 153 ? 0.4803 0.6975 0.5597 -0.0120 0.1108 0.2873 269 GLU C O 3834 C CB . GLU B 153 ? 0.5854 0.8559 0.7207 -0.0144 0.1469 0.3246 269 GLU C CB 3835 C CG . GLU B 153 ? 0.7074 0.9909 0.8422 -0.0024 0.1693 0.3349 269 GLU C CG 3836 C CD . GLU B 153 ? 0.8450 1.1663 1.0323 -0.0146 0.1767 0.3542 269 GLU C CD 3837 O OE1 . GLU B 153 ? 0.8375 1.1624 1.0545 -0.0376 0.1641 0.3593 269 GLU C OE1 3838 O OE2 . GLU B 153 ? 0.9138 1.2604 1.1129 -0.0014 0.1946 0.3634 269 GLU C OE2 3839 N N . ILE B 154 ? 0.4310 0.6347 0.5297 -0.0403 0.1060 0.2997 270 ILE C N 3840 C CA . ILE B 154 ? 0.4132 0.6048 0.5176 -0.0552 0.0847 0.2929 270 ILE C CA 3841 C C . ILE B 154 ? 0.3968 0.6260 0.5445 -0.0630 0.0779 0.3024 270 ILE C C 3842 O O . ILE B 154 ? 0.4372 0.6985 0.6253 -0.0708 0.0837 0.3172 270 ILE C O 3843 C CB . ILE B 154 ? 0.4266 0.5945 0.5343 -0.0750 0.0752 0.2945 270 ILE C CB 3844 C CG1 . ILE B 154 ? 0.5151 0.6452 0.5780 -0.0662 0.0796 0.2852 270 ILE C CG1 3845 C CG2 . ILE B 154 ? 0.4121 0.5695 0.5295 -0.0915 0.0523 0.2881 270 ILE C CG2 3846 C CD1 . ILE B 154 ? 0.5359 0.6376 0.5964 -0.0823 0.0709 0.2860 270 ILE C CD1 3847 N N . ILE B 155 ? 0.3778 0.6032 0.5171 -0.0608 0.0654 0.2939 271 ILE C N 3848 C CA . ILE B 155 ? 0.3980 0.6596 0.5744 -0.0658 0.0580 0.3030 271 ILE C CA 3849 C C . ILE B 155 ? 0.4242 0.6740 0.6145 -0.0864 0.0308 0.2936 271 ILE C C 3850 O O . ILE B 155 ? 0.4285 0.6397 0.5864 -0.0890 0.0178 0.2777 271 ILE C O 3851 C CB . ILE B 155 ? 0.3534 0.6143 0.5065 -0.0422 0.0603 0.2906 271 ILE C CB 3852 C CG1 . ILE B 155 ? 0.4707 0.7368 0.6044 -0.0202 0.0854 0.2946 271 ILE C CG1 3853 C CG2 . ILE B 155 ? 0.3654 0.6602 0.5541 -0.0411 0.0498 0.2922 271 ILE C CG2 3854 C CD1 . ILE B 155 ? 0.5138 0.8198 0.6851 -0.0173 0.1011 0.3112 271 ILE C CD1 3855 N N . ILE B 156 ? 0.4336 0.7178 0.6725 -0.1007 0.0223 0.3031 272 ILE C N 3856 C CA . ILE B 156 ? 0.3588 0.6356 0.6124 -0.1195 -0.0052 0.2936 272 ILE C CA 3857 C C . ILE B 156 ? 0.4008 0.6976 0.6623 -0.1087 -0.0187 0.2852 272 ILE C C 3858 O O . ILE B 156 ? 0.3643 0.7048 0.6595 -0.1010 -0.0122 0.2960 272 ILE C O 3859 C CB . ILE B 156 ? 0.3800 0.6802 0.6839 -0.1455 -0.0100 0.3079 272 ILE C CB 3860 C CG1 . ILE B 156 ? 0.3878 0.6628 0.6794 -0.1534 0.0042 0.3155 272 ILE C CG1 3861 C CG2 . ILE B 156 ? 0.3898 0.6798 0.7054 -0.1648 -0.0405 0.2955 272 ILE C CG2 3862 C CD1 . ILE B 156 ? 0.3931 0.6133 0.6384 -0.1559 -0.0048 0.3012 272 ILE C CD1 3863 N N . ARG B 157 ? 0.3882 0.6527 0.6178 -0.1071 -0.0368 0.2666 273 ARG C N 3864 C CA . ARG B 157 ? 0.4339 0.7098 0.6618 -0.0948 -0.0494 0.2584 273 ARG C CA 3865 C C . ARG B 157 ? 0.3480 0.6202 0.5875 -0.1116 -0.0788 0.2494 273 ARG C C 3866 O O . ARG B 157 ? 0.3558 0.5914 0.5744 -0.1251 -0.0907 0.2386 273 ARG C O 3867 C CB . ARG B 157 ? 0.4044 0.6461 0.5806 -0.0744 -0.0431 0.2443 273 ARG C CB 3868 C CG . ARG B 157 ? 0.3903 0.6265 0.5468 -0.0593 -0.0168 0.2491 273 ARG C CG 3869 C CD . ARG B 157 ? 0.3693 0.5760 0.4806 -0.0401 -0.0115 0.2346 273 ARG C CD 3870 N NE . ARG B 157 ? 0.3611 0.5580 0.4500 -0.0280 0.0106 0.2362 273 ARG C NE 3871 C CZ . ARG B 157 ? 0.4328 0.6530 0.5286 -0.0116 0.0295 0.2458 273 ARG C CZ 3872 N NH1 . ARG B 157 ? 0.4382 0.6954 0.5661 -0.0048 0.0300 0.2555 273 ARG C NH1 3873 N NH2 . ARG B 157 ? 0.3379 0.5450 0.4081 -0.0010 0.0477 0.2453 273 ARG C NH2 3874 N N . SER B 158 ? 0.3481 0.6583 0.6202 -0.1094 -0.0908 0.2534 274 SER C N 3875 C CA . SER B 158 ? 0.4119 0.7225 0.6944 -0.1231 -0.1209 0.2443 274 SER C CA 3876 C C . SER B 158 ? 0.3935 0.7444 0.6994 -0.1096 -0.1312 0.2477 274 SER C C 3877 O O . SER B 158 ? 0.3507 0.7448 0.6906 -0.0996 -0.1173 0.2623 274 SER C O 3878 C CB . SER B 158 ? 0.3968 0.7181 0.7185 -0.1527 -0.1315 0.2500 274 SER C CB 3879 O OG . SER B 158 ? 0.3841 0.7080 0.7171 -0.1661 -0.1624 0.2401 274 SER C OG 3880 N N . GLU B 159 ? 0.3685 0.7048 0.6546 -0.1078 -0.1552 0.2346 275 GLU C N 3881 C CA . GLU B 159 ? 0.4097 0.7816 0.7145 -0.0942 -0.1691 0.2372 275 GLU C CA 3882 C C . GLU B 159 ? 0.3945 0.8197 0.7646 -0.1121 -0.1840 0.2473 275 GLU C C 3883 O O . GLU B 159 ? 0.4263 0.8997 0.8319 -0.1004 -0.1868 0.2568 275 GLU C O 3884 C CB . GLU B 159 ? 0.3883 0.7269 0.6503 -0.0885 -0.1917 0.2207 275 GLU C CB 3885 C CG . GLU B 159 ? 0.3978 0.7659 0.6676 -0.0689 -0.2048 0.2233 275 GLU C CG 3886 C CD . GLU B 159 ? 0.5140 0.8444 0.7345 -0.0617 -0.2248 0.2081 275 GLU C CD 3887 O OE1 . GLU B 159 ? 0.5146 0.8033 0.7045 -0.0762 -0.2333 0.1948 275 GLU C OE1 3888 O OE2 . GLU B 159 ? 0.6262 0.9679 0.8373 -0.0402 -0.2311 0.2100 275 GLU C OE2 3889 N N . ASN B 160 ? 0.3842 0.8003 0.7714 -0.1407 -0.1931 0.2452 276 ASN C N 3890 C CA . ASN B 160 ? 0.4337 0.8962 0.8849 -0.1633 -0.2076 0.2535 276 ASN C CA 3891 C C . ASN B 160 ? 0.3991 0.8381 0.8595 -0.1927 -0.2051 0.2537 276 ASN C C 3892 O O . ASN B 160 ? 0.4196 0.8191 0.8563 -0.2079 -0.2243 0.2379 276 ASN C O 3893 C CB . ASN B 160 ? 0.4836 0.9496 0.9336 -0.1647 -0.2401 0.2393 276 ASN C CB 3894 C CG . ASN B 160 ? 0.6761 1.1821 1.1801 -0.1783 -0.2478 0.2415 276 ASN C CG 3895 O OD1 . ASN B 160 ? 0.5117 1.0439 1.0566 -0.1882 -0.2293 0.2551 276 ASN C OD1 3896 N ND2 . ASN B 160 ? 0.9752 1.4860 1.4782 -0.1778 -0.2747 0.2277 276 ASN C ND2 3897 N N . LEU B 161 ? 0.3901 0.8454 0.8760 -0.1967 -0.1780 0.2701 277 LEU C N 3898 C CA . LEU B 161 ? 0.4795 0.9043 0.9649 -0.2191 -0.1692 0.2712 277 LEU C CA 3899 C C . LEU B 161 ? 0.4798 0.9010 0.9880 -0.2417 -0.1890 0.2618 277 LEU C C 3900 O O . LEU B 161 ? 0.4570 0.8351 0.9464 -0.2589 -0.1952 0.2527 277 LEU C O 3901 C CB . LEU B 161 ? 0.4950 0.9400 1.0011 -0.2150 -0.1351 0.2911 277 LEU C CB 3902 C CG . LEU B 161 ? 0.5209 0.9369 0.9857 -0.2011 -0.1106 0.2956 277 LEU C CG 3903 C CD1 . LEU B 161 ? 0.5397 0.9776 1.0248 -0.1965 -0.0781 0.3151 277 LEU C CD1 3904 C CD2 . LEU B 161 ? 0.4527 0.8064 0.8736 -0.2133 -0.1179 0.2825 277 LEU C CD2 3905 N N . THR B 162 ? 0.4576 0.9242 1.0063 -0.2407 -0.1985 0.2634 278 THR C N 3906 C CA . THR B 162 ? 0.5154 0.9852 1.0903 -0.2619 -0.2184 0.2534 278 THR C CA 3907 C C . THR B 162 ? 0.5219 0.9518 1.0584 -0.2667 -0.2487 0.2305 278 THR C C 3908 O O . THR B 162 ? 0.5751 0.9858 1.1159 -0.2865 -0.2640 0.2186 278 THR C O 3909 C CB . THR B 162 ? 0.5298 1.0615 1.1581 -0.2580 -0.2223 0.2593 278 THR C CB 3910 O OG1 . THR B 162 ? 0.6490 1.2021 1.2659 -0.2328 -0.2304 0.2576 278 THR C OG1 3911 C CG2 . THR B 162 ? 0.5193 1.0864 1.1873 -0.2572 -0.1914 0.2805 278 THR C CG2 3912 N N . ASN B 163 ? 0.5325 0.9488 1.0293 -0.2473 -0.2559 0.2241 279 ASN C N 3913 C CA . ASN B 163 ? 0.5693 0.9418 1.0195 -0.2478 -0.2804 0.2026 279 ASN C CA 3914 C C . ASN B 163 ? 0.5907 0.9047 0.9967 -0.2544 -0.2730 0.1969 279 ASN C C 3915 O O . ASN B 163 ? 0.5878 0.8888 0.9669 -0.2413 -0.2591 0.2023 279 ASN C O 3916 C CB . ASN B 163 ? 0.5909 0.9722 1.0145 -0.2221 -0.2901 0.1981 279 ASN C CB 3917 C CG . ASN B 163 ? 0.5923 0.9362 0.9721 -0.2208 -0.3165 0.1754 279 ASN C CG 3918 O OD1 . ASN B 163 ? 0.6125 0.9128 0.9685 -0.2361 -0.3242 0.1624 279 ASN C OD1 3919 N ND2 . ASN B 163 ? 0.5734 0.9327 0.9395 -0.2004 -0.3287 0.1708 279 ASN C ND2 3920 N N . ASN B 164 ? 0.5923 0.8718 0.9913 -0.2738 -0.2823 0.1854 280 ASN C N 3921 C CA . ASN B 164 ? 0.6339 0.8568 0.9929 -0.2796 -0.2749 0.1795 280 ASN C CA 3922 C C . ASN B 164 ? 0.6449 0.8270 0.9449 -0.2655 -0.2845 0.1642 280 ASN C C 3923 O O . ASN B 164 ? 0.7054 0.8456 0.9703 -0.2644 -0.2749 0.1609 280 ASN C O 3924 C CB . ASN B 164 ? 0.6433 0.8392 1.0089 -0.3013 -0.2831 0.1699 280 ASN C CB 3925 C CG . ASN B 164 ? 0.6703 0.8606 1.0290 -0.3059 -0.3115 0.1502 280 ASN C CG 3926 O OD1 . ASN B 164 ? 0.6690 0.8999 1.0679 -0.3123 -0.3225 0.1508 280 ASN C OD1 3927 N ND2 . ASN B 164 ? 0.6513 0.7916 0.9580 -0.3015 -0.3227 0.1320 280 ASN C ND2 3928 N N . ALA B 165 ? 0.5372 0.7313 0.8253 -0.2533 -0.3022 0.1547 281 ALA C N 3929 C CA . ALA B 165 ? 0.6504 0.8058 0.8802 -0.2381 -0.3101 0.1398 281 ALA C CA 3930 C C . ALA B 165 ? 0.6522 0.8138 0.8640 -0.2191 -0.2945 0.1497 281 ALA C C 3931 O O . ALA B 165 ? 0.7313 0.8563 0.8927 -0.2070 -0.2948 0.1393 281 ALA C O 3932 C CB . ALA B 165 ? 0.6772 0.8402 0.8964 -0.2302 -0.3332 0.1263 281 ALA C CB 3933 N N . LYS B 166 ? 0.5485 0.7565 0.8009 -0.2155 -0.2795 0.1695 282 LYS C N 3934 C CA . LYS B 166 ? 0.4518 0.6592 0.6803 -0.1896 -0.2534 0.1760 282 LYS C CA 3935 C C . LYS B 166 ? 0.5703 0.7464 0.7801 -0.1907 -0.2280 0.1790 282 LYS C C 3936 O O . LYS B 166 ? 0.5787 0.7610 0.8179 -0.2080 -0.2206 0.1884 282 LYS C O 3937 C CB . LYS B 166 ? 0.4718 0.7375 0.7438 -0.1781 -0.2432 0.1934 282 LYS C CB 3938 C CG . LYS B 166 ? 0.4437 0.7425 0.7306 -0.1703 -0.2671 0.1914 282 LYS C CG 3939 C CD . LYS B 166 ? 0.5233 0.7884 0.7516 -0.1485 -0.2731 0.1784 282 LYS C CD 3940 C CE . LYS B 166 ? 0.6995 0.9943 0.9375 -0.1378 -0.2961 0.1767 282 LYS C CE 3941 N NZ . LYS B 166 ? 0.7476 1.0074 0.9261 -0.1159 -0.3003 0.1661 282 LYS C NZ 3942 N N . THR B 167 ? 0.4974 0.6401 0.6584 -0.1721 -0.2149 0.1712 283 THR C N 3943 C CA . THR B 167 ? 0.4235 0.5357 0.5623 -0.1705 -0.1933 0.1717 283 THR C CA 3944 C C . THR B 167 ? 0.4035 0.5463 0.5693 -0.1648 -0.1684 0.1899 283 THR C C 3945 O O . THR B 167 ? 0.3904 0.5659 0.5691 -0.1494 -0.1597 0.1981 283 THR C O 3946 C CB . THR B 167 ? 0.4925 0.5673 0.5768 -0.1516 -0.1855 0.1587 283 THR C CB 3947 O OG1 . THR B 167 ? 0.6319 0.6781 0.6880 -0.1549 -0.2068 0.1424 283 THR C OG1 3948 C CG2 . THR B 167 ? 0.6398 0.6844 0.7031 -0.1509 -0.1670 0.1576 283 THR C CG2 3949 N N . ILE B 168 ? 0.4048 0.5353 0.5770 -0.1762 -0.1565 0.1965 284 ILE C N 3950 C CA . ILE B 168 ? 0.3908 0.5435 0.5802 -0.1698 -0.1310 0.2133 284 ILE C CA 3951 C C . ILE B 168 ? 0.5039 0.6253 0.6496 -0.1532 -0.1126 0.2081 284 ILE C C 3952 O O . ILE B 168 ? 0.4005 0.4818 0.5170 -0.1575 -0.1157 0.1978 284 ILE C O 3953 C CB . ILE B 168 ? 0.4038 0.5638 0.6278 -0.1921 -0.1274 0.2265 284 ILE C CB 3954 C CG1 . ILE B 168 ? 0.4363 0.6312 0.7100 -0.2112 -0.1461 0.2315 284 ILE C CG1 3955 C CG2 . ILE B 168 ? 0.4433 0.6229 0.6784 -0.1835 -0.0989 0.2444 284 ILE C CG2 3956 C CD1 . ILE B 168 ? 0.4276 0.6288 0.7390 -0.2361 -0.1427 0.2447 284 ILE C CD1 3957 N N . ILE B 169 ? 0.4154 0.5556 0.5573 -0.1339 -0.0941 0.2144 285 ILE C N 3958 C CA . ILE B 169 ? 0.4011 0.5167 0.5061 -0.1189 -0.0764 0.2101 285 ILE C CA 3959 C C . ILE B 169 ? 0.4056 0.5373 0.5244 -0.1171 -0.0548 0.2264 285 ILE C C 3960 O O . ILE B 169 ? 0.4135 0.5823 0.5587 -0.1108 -0.0436 0.2396 285 ILE C O 3961 C CB . ILE B 169 ? 0.3731 0.4893 0.4544 -0.0969 -0.0706 0.2024 285 ILE C CB 3962 C CG1 . ILE B 169 ? 0.4421 0.5385 0.5037 -0.0971 -0.0899 0.1870 285 ILE C CG1 3963 C CG2 . ILE B 169 ? 0.3898 0.4833 0.4371 -0.0834 -0.0528 0.1973 285 ILE C CG2 3964 C CD1 . ILE B 169 ? 0.5203 0.6122 0.5569 -0.0766 -0.0838 0.1802 285 ILE C CD1 3965 N N . VAL B 170 ? 0.3969 0.5005 0.4967 -0.1214 -0.0487 0.2260 286 VAL C N 3966 C CA . VAL B 170 ? 0.4354 0.5478 0.5388 -0.1176 -0.0277 0.2410 286 VAL C CA 3967 C C . VAL B 170 ? 0.4708 0.5707 0.5369 -0.0958 -0.0133 0.2340 286 VAL C C 3968 O O . VAL B 170 ? 0.4653 0.5334 0.4986 -0.0913 -0.0188 0.2186 286 VAL C O 3969 C CB . VAL B 170 ? 0.4892 0.5766 0.5911 -0.1332 -0.0290 0.2462 286 VAL C CB 3970 C CG1 . VAL B 170 ? 0.5159 0.6104 0.6159 -0.1253 -0.0067 0.2592 286 VAL C CG1 3971 C CG2 . VAL B 170 ? 0.4438 0.5395 0.5825 -0.1573 -0.0444 0.2514 286 VAL C CG2 3972 N N . HIS B 171 ? 0.4480 0.5736 0.5202 -0.0823 0.0051 0.2445 287 HIS C N 3973 C CA . HIS B 171 ? 0.4233 0.5374 0.4605 -0.0621 0.0187 0.2374 287 HIS C CA 3974 C C . HIS B 171 ? 0.3840 0.4929 0.4108 -0.0567 0.0342 0.2420 287 HIS C C 3975 O O . HIS B 171 ? 0.4402 0.5742 0.4863 -0.0533 0.0481 0.2549 287 HIS C O 3976 C CB . HIS B 171 ? 0.3786 0.5177 0.4214 -0.0456 0.0275 0.2381 287 HIS C CB 3977 C CG . HIS B 171 ? 0.4060 0.5249 0.4105 -0.0275 0.0341 0.2234 287 HIS C CG 3978 N ND1 . HIS B 171 ? 0.4520 0.5844 0.4530 -0.0101 0.0442 0.2224 287 HIS C ND1 3979 C CD2 . HIS B 171 ? 0.4194 0.5056 0.3891 -0.0246 0.0317 0.2088 287 HIS C CD2 3980 C CE1 . HIS B 171 ? 0.5448 0.6514 0.5099 0.0012 0.0478 0.2074 287 HIS C CE1 3981 N NE2 . HIS B 171 ? 0.5172 0.5976 0.4647 -0.0076 0.0399 0.1982 287 HIS C NE2 3982 N N . LEU B 172 ? 0.4293 0.5050 0.4251 -0.0545 0.0312 0.2291 288 LEU C N 3983 C CA . LEU B 172 ? 0.3919 0.4572 0.3726 -0.0487 0.0425 0.2308 288 LEU C CA 3984 C C . LEU B 172 ? 0.5052 0.5776 0.4663 -0.0288 0.0579 0.2268 288 LEU C C 3985 O O . LEU B 172 ? 0.4204 0.4940 0.3697 -0.0184 0.0581 0.2169 288 LEU C O 3986 C CB . LEU B 172 ? 0.4330 0.4624 0.3867 -0.0508 0.0333 0.2191 288 LEU C CB 3987 C CG . LEU B 172 ? 0.4513 0.4656 0.4178 -0.0690 0.0171 0.2193 288 LEU C CG 3988 C CD1 . LEU B 172 ? 0.5398 0.5200 0.4780 -0.0665 0.0106 0.2080 288 LEU C CD1 3989 C CD2 . LEU B 172 ? 0.5115 0.5382 0.5096 -0.0840 0.0192 0.2360 288 LEU C CD2 3990 N N . ASN B 173 ? 0.4387 0.5133 0.3947 -0.0238 0.0706 0.2343 289 ASN C N 3991 C CA . ASN B 173 ? 0.5181 0.5957 0.4519 -0.0055 0.0839 0.2297 289 ASN C CA 3992 C C . ASN B 173 ? 0.6291 0.6791 0.5265 0.0007 0.0827 0.2203 289 ASN C C 3993 O O . ASN B 173 ? 0.5439 0.5933 0.4199 0.0146 0.0917 0.2161 289 ASN C O 3994 C CB . ASN B 173 ? 0.4493 0.5555 0.4046 -0.0012 0.1007 0.2461 289 ASN C CB 3995 C CG . ASN B 173 ? 0.5510 0.6541 0.5138 -0.0105 0.1061 0.2596 289 ASN C CG 3996 O OD1 . ASN B 173 ? 0.5732 0.6566 0.5348 -0.0234 0.0960 0.2597 289 ASN C OD1 3997 N ND2 . ASN B 173 ? 0.7090 0.8302 0.6788 -0.0033 0.1231 0.2714 289 ASN C ND2 3998 N N . LYS B 174 ? 0.4974 0.5252 0.3882 -0.0091 0.0708 0.2173 290 LYS C N 3999 C CA . LYS B 174 ? 0.5430 0.5456 0.4010 -0.0033 0.0664 0.2087 290 LYS C CA 4000 C C . LYS B 174 ? 0.5825 0.5635 0.4362 -0.0115 0.0504 0.2000 290 LYS C C 4001 O O . LYS B 174 ? 0.6006 0.5760 0.4717 -0.0244 0.0449 0.2073 290 LYS C O 4002 C CB . LYS B 174 ? 0.6512 0.6484 0.5036 -0.0039 0.0743 0.2218 290 LYS C CB 4003 C CG . LYS B 174 ? 0.7567 0.7324 0.5741 0.0051 0.0700 0.2148 290 LYS C CG 4004 C CD . LYS B 174 ? 0.8932 0.8622 0.7037 0.0046 0.0782 0.2297 290 LYS C CD 4005 C CE . LYS B 174 ? 0.9744 0.9263 0.7503 0.0157 0.0731 0.2238 290 LYS C CE 4006 N NZ . LYS B 174 ? 1.0321 0.9949 0.7897 0.0313 0.0770 0.2130 290 LYS C NZ 4007 N N . SER B 175 ? 0.5468 0.5167 0.3788 -0.0040 0.0433 0.1841 291 SER C N 4008 C CA . SER B 175 ? 0.6501 0.6017 0.4778 -0.0094 0.0294 0.1751 291 SER C CA 4009 C C . SER B 175 ? 0.6610 0.5911 0.4759 -0.0104 0.0237 0.1782 291 SER C C 4010 O O . SER B 175 ? 0.5655 0.4923 0.3642 -0.0036 0.0281 0.1825 291 SER C O 4011 C CB . SER B 175 ? 0.6742 0.6232 0.4846 -0.0013 0.0249 0.1580 291 SER C CB 4012 O OG . SER B 175 ? 0.8144 0.7618 0.6022 0.0098 0.0267 0.1522 291 SER C OG 4013 N N . VAL B 176 ? 0.5172 0.4332 0.3397 -0.0182 0.0137 0.1763 292 VAL C N 4014 C CA . VAL B 176 ? 0.4866 0.3801 0.2971 -0.0166 0.0077 0.1781 292 VAL C CA 4015 C C . VAL B 176 ? 0.5346 0.4196 0.3399 -0.0143 -0.0047 0.1643 292 VAL C C 4016 O O . VAL B 176 ? 0.5325 0.4177 0.3516 -0.0245 -0.0120 0.1573 292 VAL C O 4017 C CB . VAL B 176 ? 0.5627 0.4478 0.3937 -0.0303 0.0073 0.1904 292 VAL C CB 4018 C CG1 . VAL B 176 ? 0.6008 0.4603 0.4175 -0.0262 0.0027 0.1929 292 VAL C CG1 4019 C CG2 . VAL B 176 ? 0.6774 0.5770 0.5206 -0.0350 0.0201 0.2051 292 VAL C CG2 4020 N N . GLU B 177 ? 0.5087 0.3880 0.2945 -0.0021 -0.0086 0.1597 293 GLU C N 4021 C CA . GLU B 177 ? 0.5508 0.4203 0.3298 -0.0017 -0.0216 0.1429 293 GLU C CA 4022 C C . GLU B 177 ? 0.4439 0.2908 0.2307 -0.0109 -0.0310 0.1419 293 GLU C C 4023 O O . GLU B 177 ? 0.5149 0.3504 0.3045 -0.0121 -0.0301 0.1534 293 GLU C O 4024 C CB . GLU B 177 ? 0.5554 0.4256 0.3131 0.0134 -0.0252 0.1353 293 GLU C CB 4025 C CG . GLU B 177 ? 0.6353 0.5232 0.3827 0.0215 -0.0205 0.1255 293 GLU C CG 4026 C CD . GLU B 177 ? 0.7371 0.6254 0.4661 0.0353 -0.0276 0.1124 293 GLU C CD 4027 O OE1 . GLU B 177 ? 0.6340 0.5118 0.3574 0.0408 -0.0346 0.1153 293 GLU C OE1 4028 O OE2 . GLU B 177 ? 0.6654 0.5642 0.3861 0.0409 -0.0267 0.0988 293 GLU C OE2 4029 N N . ILE B 178 ? 0.5183 0.3569 0.3067 -0.0169 -0.0392 0.1280 294 ILE C N 4030 C CA . ILE B 178 ? 0.4397 0.2540 0.2295 -0.0223 -0.0491 0.1228 294 ILE C CA 4031 C C . ILE B 178 ? 0.4739 0.2858 0.2555 -0.0118 -0.0545 0.1032 294 ILE C C 4032 O O . ILE B 178 ? 0.5208 0.3452 0.3049 -0.0110 -0.0529 0.0890 294 ILE C O 4033 C CB . ILE B 178 ? 0.4425 0.2519 0.2481 -0.0383 -0.0526 0.1219 294 ILE C CB 4034 C CG1 . ILE B 178 ? 0.5601 0.3421 0.3634 -0.0420 -0.0625 0.1135 294 ILE C CG1 4035 C CG2 . ILE B 178 ? 0.4633 0.2904 0.2740 -0.0394 -0.0499 0.1105 294 ILE C CG2 4036 C CD1 . ILE B 178 ? 0.5947 0.3678 0.4096 -0.0577 -0.0684 0.1129 294 ILE C CD1 4037 N N . ASN B 179 ? 0.5298 0.3259 0.3025 -0.0035 -0.0601 0.1032 295 ASN C N 4038 C CA . ASN B 179 ? 0.4840 0.2827 0.2514 0.0089 -0.0649 0.0866 295 ASN C CA 4039 C C . ASN B 179 ? 0.4547 0.2330 0.2255 0.0072 -0.0712 0.0766 295 ASN C C 4040 O O . ASN B 179 ? 0.5393 0.2957 0.3044 0.0110 -0.0759 0.0829 295 ASN C O 4041 C CB . ASN B 179 ? 0.5069 0.3063 0.2599 0.0243 -0.0672 0.0935 295 ASN C CB 4042 C CG . ASN B 179 ? 0.5871 0.3983 0.3380 0.0380 -0.0731 0.0760 295 ASN C CG 4043 O OD1 . ASN B 179 ? 0.5272 0.3425 0.2889 0.0357 -0.0746 0.0593 295 ASN C OD1 4044 N ND2 . ASN B 179 ? 0.6069 0.4248 0.3442 0.0525 -0.0764 0.0800 295 ASN C ND2 4045 N N . CYS B 180 ? 0.5163 0.2996 0.2944 0.0024 -0.0704 0.0613 296 CYS C N 4046 C CA . CYS B 180 ? 0.4829 0.2466 0.2620 0.0009 -0.0745 0.0510 296 CYS C CA 4047 C C . CYS B 180 ? 0.4927 0.2645 0.2734 0.0135 -0.0754 0.0345 296 CYS C C 4048 O O . CYS B 180 ? 0.5304 0.3250 0.3166 0.0159 -0.0715 0.0244 296 CYS C O 4049 C CB . CYS B 180 ? 0.4657 0.2264 0.2493 -0.0125 -0.0726 0.0463 296 CYS C CB 4050 S SG . CYS B 180 ? 0.6139 0.3739 0.4027 -0.0276 -0.0724 0.0647 296 CYS C SG 4051 N N . THR B 181 ? 0.4980 0.2508 0.2752 0.0214 -0.0802 0.0316 297 THR C N 4052 C CA . THR B 181 ? 0.5178 0.2810 0.2999 0.0354 -0.0814 0.0175 297 THR C CA 4053 C C . THR B 181 ? 0.5882 0.3292 0.3691 0.0391 -0.0826 0.0084 297 THR C C 4054 O O . THR B 181 ? 0.5687 0.2798 0.3400 0.0384 -0.0867 0.0160 297 THR C O 4055 C CB . THR B 181 ? 0.5433 0.3135 0.3211 0.0509 -0.0873 0.0241 297 THR C CB 4056 O OG1 . THR B 181 ? 0.5570 0.3498 0.3335 0.0499 -0.0857 0.0292 297 THR C OG1 4057 C CG2 . THR B 181 ? 0.5408 0.3240 0.3275 0.0663 -0.0903 0.0094 297 THR C CG2 4058 N N . ARG B 182 ? 0.5595 0.3140 0.3497 0.0427 -0.0779 -0.0080 298 ARG C N 4059 C CA . ARG B 182 ? 0.5682 0.3077 0.3581 0.0519 -0.0774 -0.0183 298 ARG C CA 4060 C C . ARG B 182 ? 0.5465 0.3094 0.3491 0.0693 -0.0796 -0.0254 298 ARG C C 4061 O O . ARG B 182 ? 0.5125 0.3052 0.3308 0.0699 -0.0749 -0.0368 298 ARG C O 4062 C CB . ARG B 182 ? 0.5141 0.2535 0.3059 0.0442 -0.0686 -0.0312 298 ARG C CB 4063 C CG . ARG B 182 ? 0.5176 0.2285 0.2998 0.0493 -0.0672 -0.0387 298 ARG C CG 4064 C CD . ARG B 182 ? 0.5490 0.2668 0.3405 0.0686 -0.0667 -0.0473 298 ARG C CD 4065 N NE . ARG B 182 ? 0.5380 0.2943 0.3512 0.0726 -0.0598 -0.0582 298 ARG C NE 4066 C CZ . ARG B 182 ? 0.5520 0.3168 0.3731 0.0731 -0.0485 -0.0716 298 ARG C CZ 4067 N NH1 . ARG B 182 ? 0.5794 0.3159 0.3845 0.0717 -0.0432 -0.0759 298 ARG C NH1 4068 N NH2 . ARG B 182 ? 0.4996 0.3004 0.3439 0.0747 -0.0424 -0.0807 298 ARG C NH2 4069 N N . PRO B 183 ? 0.5525 0.3020 0.3490 0.0835 -0.0872 -0.0184 299 PRO C N 4070 C CA . PRO B 183 ? 0.5415 0.3146 0.3493 0.1024 -0.0923 -0.0232 299 PRO C CA 4071 C C . PRO B 183 ? 0.5987 0.3888 0.4250 0.1108 -0.0869 -0.0412 299 PRO C C 4072 O O . PRO B 183 ? 0.5841 0.3551 0.4069 0.1076 -0.0799 -0.0476 299 PRO C O 4073 C CB . PRO B 183 ? 0.5421 0.2854 0.3342 0.1156 -0.1002 -0.0104 299 PRO C CB 4074 C CG . PRO B 183 ? 0.6676 0.3701 0.4454 0.1046 -0.0972 -0.0063 299 PRO C CG 4075 C CD . PRO B 183 ? 0.5850 0.2941 0.3636 0.0828 -0.0916 -0.0061 299 PRO C CD 4076 N N . SER B 184 ? 0.5997 0.4265 0.4456 0.1215 -0.0901 -0.0495 300 SER C N 4077 C CA . SER B 184 ? 0.6737 0.5241 0.5436 0.1290 -0.0840 -0.0664 300 SER C CA 4078 C C . SER B 184 ? 0.7886 0.6173 0.6553 0.1460 -0.0835 -0.0682 300 SER C C 4079 O O . SER B 184 ? 0.8359 0.6524 0.7031 0.1437 -0.0729 -0.0766 300 SER C O 4080 C CB . SER B 184 ? 0.7365 0.6321 0.6304 0.1374 -0.0908 -0.0743 300 SER C CB 4081 O OG . SER B 184 ? 0.8118 0.7347 0.7346 0.1428 -0.0838 -0.0905 300 SER C OG 4082 N N . ASN B 185 ? 0.9093 0.7310 0.7698 0.1643 -0.0947 -0.0602 301 ASN C N 4083 C CA . ASN B 185 ? 1.1686 0.9655 1.0235 0.1831 -0.0951 -0.0607 301 ASN C CA 4084 C C . ASN B 185 ? 1.2572 1.0025 1.0804 0.1830 -0.1000 -0.0447 301 ASN C C 4085 O O . ASN B 185 ? 1.2736 0.9830 1.0840 0.1880 -0.0964 -0.0461 301 ASN C O 4086 C CB . ASN B 185 ? 1.2254 1.0529 1.1001 0.2081 -0.1035 -0.0650 301 ASN C CB 4087 C CG . ASN B 185 ? 1.2401 1.1056 1.1486 0.2136 -0.0948 -0.0836 301 ASN C CG 4088 O OD1 . ASN B 185 ? 1.2573 1.1295 1.1740 0.1972 -0.0817 -0.0928 301 ASN C OD1 4089 N ND2 . ASN B 185 ? 1.1980 1.0892 1.1267 0.2373 -0.1015 -0.0884 301 ASN C ND2 4090 N N . GLY B 192 ? 1.0799 0.6863 0.8522 0.1995 -0.0730 -0.0729 324 GLY C N 4091 C CA . GLY B 192 ? 1.1506 0.7096 0.8943 0.1818 -0.0775 -0.0647 324 GLY C CA 4092 C C . GLY B 192 ? 1.1277 0.6824 0.8635 0.1610 -0.0699 -0.0730 324 GLY C C 4093 O O . GLY B 192 ? 1.1331 0.7037 0.8760 0.1649 -0.0584 -0.0869 324 GLY C O 4094 N N . ASP B 193 ? 1.0316 0.5657 0.7529 0.1393 -0.0760 -0.0638 325 ASP C N 4095 C CA . ASP B 193 ? 0.9344 0.4660 0.6473 0.1191 -0.0712 -0.0695 325 ASP C CA 4096 C C . ASP B 193 ? 0.7318 0.3056 0.4621 0.1063 -0.0680 -0.0676 325 ASP C C 4097 O O . ASP B 193 ? 0.7539 0.3394 0.4900 0.0963 -0.0747 -0.0548 325 ASP C O 4098 C CB . ASP B 193 ? 1.0515 0.5555 0.7495 0.0995 -0.0787 -0.0596 325 ASP C CB 4099 C CG . ASP B 193 ? 1.1181 0.6262 0.8097 0.0804 -0.0754 -0.0644 325 ASP C CG 4100 O OD1 . ASP B 193 ? 0.9382 0.4630 0.6321 0.0838 -0.0650 -0.0756 325 ASP C OD1 4101 O OD2 . ASP B 193 ? 1.2661 0.7625 0.9516 0.0626 -0.0830 -0.0562 325 ASP C OD2 4102 N N . ILE B 194 ? 0.6583 0.2553 0.3969 0.1063 -0.0561 -0.0798 326 ILE C N 4103 C CA . ILE B 194 ? 0.6230 0.2607 0.3798 0.0950 -0.0510 -0.0794 326 ILE C CA 4104 C C . ILE B 194 ? 0.6931 0.3226 0.4383 0.0731 -0.0550 -0.0716 326 ILE C C 4105 O O . ILE B 194 ? 0.6170 0.2755 0.3750 0.0635 -0.0532 -0.0678 326 ILE C O 4106 C CB . ILE B 194 ? 0.5946 0.2547 0.3623 0.0994 -0.0352 -0.0938 326 ILE C CB 4107 C CG1 . ILE B 194 ? 0.7369 0.3647 0.4780 0.0942 -0.0285 -0.1012 326 ILE C CG1 4108 C CG2 . ILE B 194 ? 0.6644 0.3416 0.4507 0.1213 -0.0307 -0.1016 326 ILE C CG2 4109 C CD1 . ILE B 194 ? 0.6801 0.3257 0.4279 0.0987 -0.0103 -0.1138 326 ILE C CD1 4110 N N . ARG B 195 ? 0.6170 0.2071 0.3388 0.0657 -0.0610 -0.0698 327 ARG C N 4111 C CA . ARG B 195 ? 0.5982 0.1819 0.3111 0.0456 -0.0662 -0.0627 327 ARG C CA 4112 C C . ARG B 195 ? 0.6964 0.2704 0.4106 0.0373 -0.0783 -0.0467 327 ARG C C 4113 O O . ARG B 195 ? 0.6820 0.2552 0.3940 0.0209 -0.0832 -0.0390 327 ARG C O 4114 C CB . ARG B 195 ? 0.6875 0.2601 0.3878 0.0384 -0.0640 -0.0666 327 ARG C CB 4115 C CG . ARG B 195 ? 0.6090 0.1967 0.3093 0.0435 -0.0496 -0.0782 327 ARG C CG 4116 C CD . ARG B 195 ? 0.6389 0.2114 0.3227 0.0398 -0.0486 -0.0817 327 ARG C CD 4117 N NE . ARG B 195 ? 0.6735 0.2565 0.3559 0.0475 -0.0332 -0.0921 327 ARG C NE 4118 C CZ . ARG B 195 ? 0.7390 0.3177 0.4219 0.0629 -0.0244 -0.1013 327 ARG C CZ 4119 N NH1 . ARG B 195 ? 0.7101 0.2731 0.3940 0.0733 -0.0305 -0.1013 327 ARG C NH1 4120 N NH2 . ARG B 195 ? 0.8397 0.4294 0.5223 0.0685 -0.0089 -0.1097 327 ARG C NH2 4121 N N . LYS B 196 ? 0.6362 0.2037 0.3544 0.0493 -0.0822 -0.0411 328 LYS C N 4122 C CA . LYS B 196 ? 0.6870 0.2433 0.4052 0.0427 -0.0913 -0.0244 328 LYS C CA 4123 C C . LYS B 196 ? 0.7338 0.3287 0.4689 0.0410 -0.0901 -0.0142 328 LYS C C 4124 O O . LYS B 196 ? 0.6672 0.2906 0.4146 0.0536 -0.0860 -0.0187 328 LYS C O 4125 C CB . LYS B 196 ? 0.7415 0.2677 0.4516 0.0575 -0.0959 -0.0213 328 LYS C CB 4126 C CG . LYS B 196 ? 0.7642 0.2734 0.4721 0.0497 -0.1033 -0.0028 328 LYS C CG 4127 C CD . LYS B 196 ? 0.9222 0.4076 0.6240 0.0631 -0.1049 -0.0001 328 LYS C CD 4128 C CE . LYS B 196 ? 0.9692 0.4439 0.6722 0.0534 -0.1086 0.0185 328 LYS C CE 4129 N NZ . LYS B 196 ? 0.9287 0.3773 0.6247 0.0661 -0.1091 0.0214 328 LYS C NZ 4130 N N . ALA B 197 ? 0.6159 0.2123 0.3521 0.0253 -0.0938 -0.0011 329 ALA C N 4131 C CA . ALA B 197 ? 0.5888 0.2179 0.3370 0.0236 -0.0921 0.0092 329 ALA C CA 4132 C C . ALA B 197 ? 0.6582 0.2750 0.4044 0.0130 -0.0969 0.0281 329 ALA C C 4133 O O . ALA B 197 ? 0.6536 0.2370 0.3917 0.0054 -0.1021 0.0328 329 ALA C O 4134 C CB . ALA B 197 ? 0.6431 0.3011 0.3994 0.0148 -0.0859 0.0029 329 ALA C CB 4135 N N . TYR B 198 ? 0.6374 0.2806 0.3910 0.0122 -0.0945 0.0388 330 TYR C N 4136 C CA . TYR B 198 ? 0.6378 0.2736 0.3909 0.0029 -0.0961 0.0583 330 TYR C CA 4137 C C . TYR B 198 ? 0.6623 0.3321 0.4238 -0.0017 -0.0908 0.0661 330 TYR C C 4138 O O . TYR B 198 ? 0.5837 0.2808 0.3488 0.0066 -0.0873 0.0578 330 TYR C O 4139 C CB . TYR B 198 ? 0.6701 0.2858 0.4141 0.0156 -0.0989 0.0691 330 TYR C CB 4140 C CG . TYR B 198 ? 0.6982 0.3357 0.4414 0.0362 -0.0983 0.0650 330 TYR C CG 4141 C CD1 . TYR B 198 ? 0.8102 0.4728 0.5536 0.0406 -0.0960 0.0750 330 TYR C CD1 4142 C CD2 . TYR B 198 ? 0.8125 0.4465 0.5548 0.0520 -0.1004 0.0507 330 TYR C CD2 4143 C CE1 . TYR B 198 ? 0.8246 0.5079 0.5666 0.0592 -0.0981 0.0699 330 TYR C CE1 4144 C CE2 . TYR B 198 ? 0.8117 0.4696 0.5571 0.0705 -0.1017 0.0464 330 TYR C CE2 4145 C CZ . TYR B 198 ? 0.8509 0.5332 0.5958 0.0736 -0.1017 0.0555 330 TYR C CZ 4146 O OH . TYR B 198 ? 0.9638 0.6706 0.7111 0.0918 -0.1054 0.0498 330 TYR C OH 4147 N N . CYS B 199 ? 0.5881 0.2558 0.3535 -0.0152 -0.0900 0.0817 331 CYS C N 4148 C CA . CYS B 199 ? 0.5406 0.2377 0.3123 -0.0181 -0.0837 0.0915 331 CYS C CA 4149 C C . CYS B 199 ? 0.5882 0.2812 0.3567 -0.0158 -0.0807 0.1113 331 CYS C C 4150 O O . CYS B 199 ? 0.6002 0.2766 0.3748 -0.0231 -0.0804 0.1191 331 CYS C O 4151 C CB . CYS B 199 ? 0.5282 0.2354 0.3116 -0.0351 -0.0824 0.0928 331 CYS C CB 4152 S SG . CYS B 199 ? 0.6725 0.3919 0.4577 -0.0360 -0.0822 0.0716 331 CYS C SG 4153 N N . GLU B 200 ? 0.5570 0.2715 0.3198 -0.0050 -0.0761 0.1164 332 GLU C N 4154 C CA . GLU B 200 ? 0.5506 0.2703 0.3128 -0.0001 -0.0693 0.1327 332 GLU C CA 4155 C C . GLU B 200 ? 0.5517 0.2985 0.3234 -0.0067 -0.0590 0.1432 332 GLU C C 4156 O O . GLU B 200 ? 0.5555 0.3233 0.3257 -0.0048 -0.0573 0.1364 332 GLU C O 4157 C CB . GLU B 200 ? 0.6446 0.3668 0.3899 0.0210 -0.0723 0.1308 332 GLU C CB 4158 C CG . GLU B 200 ? 0.7222 0.4180 0.4592 0.0314 -0.0811 0.1237 332 GLU C CG 4159 C CD . GLU B 200 ? 0.8070 0.5110 0.5304 0.0538 -0.0855 0.1214 332 GLU C CD 4160 O OE1 . GLU B 200 ? 0.9448 0.6754 0.6639 0.0606 -0.0852 0.1172 332 GLU C OE1 4161 O OE2 . GLU B 200 ? 0.8216 0.5063 0.5391 0.0648 -0.0898 0.1228 332 GLU C OE2 4162 N N . ILE B 201 ? 0.5726 0.3175 0.3541 -0.0139 -0.0512 0.1596 333 ILE C N 4163 C CA . ILE B 201 ? 0.5342 0.3031 0.3253 -0.0183 -0.0395 0.1713 333 ILE C CA 4164 C C . ILE B 201 ? 0.5786 0.3452 0.3645 -0.0113 -0.0290 0.1903 333 ILE C C 4165 O O . ILE B 201 ? 0.6326 0.3759 0.4192 -0.0137 -0.0293 0.1979 333 ILE C O 4166 C CB . ILE B 201 ? 0.6019 0.3738 0.4154 -0.0381 -0.0386 0.1729 333 ILE C CB 4167 C CG1 . ILE B 201 ? 0.6398 0.4135 0.4566 -0.0443 -0.0485 0.1558 333 ILE C CG1 4168 C CG2 . ILE B 201 ? 0.5290 0.3255 0.3525 -0.0408 -0.0256 0.1850 333 ILE C CG2 4169 C CD1 . ILE B 201 ? 0.6478 0.3929 0.4641 -0.0513 -0.0600 0.1461 333 ILE C CD1 4170 N N . ASN B 202 ? 0.6129 0.4019 0.3920 -0.0019 -0.0191 0.1979 334 ASN C N 4171 C CA . ASN B 202 ? 0.6467 0.4358 0.4196 0.0056 -0.0071 0.2178 334 ASN C CA 4172 C C . ASN B 202 ? 0.6195 0.3887 0.3983 -0.0094 0.0046 0.2272 334 ASN C C 4173 O O . ASN B 202 ? 0.7175 0.4999 0.5068 -0.0215 0.0090 0.2259 334 ASN C O 4174 C CB . ASN B 202 ? 0.7683 0.5912 0.5368 0.0053 -0.0110 0.2187 334 ASN C CB 4175 C CG . ASN B 202 ? 0.8353 0.6368 0.5734 0.0039 -0.0109 0.2296 334 ASN C CG 4176 O OD1 . ASN B 202 ? 0.7656 0.5421 0.4974 -0.0062 -0.0035 0.2392 334 ASN C OD1 4177 N ND2 . ASN B 202 ? 1.1178 0.9297 0.8367 0.0214 -0.0121 0.2256 334 ASN C ND2 4178 N N . GLY B 203 ? 0.6368 0.3816 0.4165 -0.0119 0.0065 0.2379 335 GLY C N 4179 C CA . GLY B 203 ? 0.7919 0.5217 0.5836 -0.0308 0.0142 0.2476 335 GLY C CA 4180 C C . GLY B 203 ? 0.7970 0.5297 0.5750 -0.0355 0.0273 0.2584 335 GLY C C 4181 O O . GLY B 203 ? 0.7309 0.4751 0.5352 -0.0533 0.0333 0.2655 335 GLY C O 4182 N N . THR B 204 ? 0.7862 0.5162 0.5298 -0.0250 0.0247 0.2587 336 THR C N 4183 C CA . THR B 204 ? 0.8118 0.5578 0.5518 -0.0307 0.0337 0.2721 336 THR C CA 4184 C C . THR B 204 ? 0.7325 0.5172 0.4933 -0.0320 0.0408 0.2669 336 THR C C 4185 O O . THR B 204 ? 0.7872 0.5899 0.5661 -0.0400 0.0542 0.2775 336 THR C O 4186 C CB . THR B 204 ? 0.8887 0.6394 0.6039 -0.0185 0.0275 0.2782 336 THR C CB 4187 O OG1 . THR B 204 ? 0.9567 0.6795 0.6613 -0.0182 0.0182 0.2868 336 THR C OG1 4188 C CG2 . THR B 204 ? 0.9782 0.7462 0.6919 -0.0175 0.0450 0.2915 336 THR C CG2 4189 N N . LYS B 205 ? 0.7029 0.5002 0.4636 -0.0248 0.0318 0.2510 337 LYS C N 4190 C CA . LYS B 205 ? 0.6119 0.4428 0.3913 -0.0257 0.0369 0.2452 337 LYS C CA 4191 C C . LYS B 205 ? 0.7041 0.5464 0.5212 -0.0409 0.0378 0.2456 337 LYS C C 4192 O O . LYS B 205 ? 0.7102 0.5797 0.5503 -0.0473 0.0458 0.2506 337 LYS C O 4193 C CB . LYS B 205 ? 0.6681 0.5087 0.4331 -0.0137 0.0267 0.2283 337 LYS C CB 4194 C CG . LYS B 205 ? 0.7598 0.6027 0.4989 -0.0002 0.0222 0.2275 337 LYS C CG 4195 C CD . LYS B 205 ? 0.9120 0.7701 0.6456 0.0101 0.0124 0.2103 337 LYS C CD 4196 C CE . LYS B 205 ? 1.1001 0.9805 0.8440 0.0098 0.0201 0.2024 337 LYS C CE 4197 N NZ . LYS B 205 ? 1.2315 1.1271 0.9714 0.0152 0.0349 0.2103 337 LYS C NZ 4198 N N . TRP B 206 ? 0.6459 0.4707 0.4725 -0.0469 0.0278 0.2408 338 TRP C N 4199 C CA . TRP B 206 ? 0.6107 0.4477 0.4725 -0.0637 0.0209 0.2378 338 TRP C CA 4200 C C . TRP B 206 ? 0.6671 0.5091 0.5576 -0.0822 0.0271 0.2519 338 TRP C C 4201 O O . TRP B 206 ? 0.5782 0.4486 0.4967 -0.0920 0.0286 0.2547 338 TRP C O 4202 C CB . TRP B 206 ? 0.6472 0.4638 0.5085 -0.0658 0.0052 0.2260 338 TRP C CB 4203 C CG . TRP B 206 ? 0.5931 0.4152 0.4832 -0.0849 -0.0057 0.2211 338 TRP C CG 4204 C CD1 . TRP B 206 ? 0.6618 0.4655 0.5670 -0.1008 -0.0125 0.2233 338 TRP C CD1 4205 C CD2 . TRP B 206 ? 0.6118 0.4574 0.5161 -0.0898 -0.0121 0.2128 338 TRP C CD2 4206 N NE1 . TRP B 206 ? 0.6716 0.4865 0.5986 -0.1155 -0.0244 0.2160 338 TRP C NE1 4207 C CE2 . TRP B 206 ? 0.5505 0.3911 0.4770 -0.1086 -0.0241 0.2105 338 TRP C CE2 4208 C CE3 . TRP B 206 ? 0.5909 0.4591 0.4894 -0.0797 -0.0090 0.2068 338 TRP C CE3 4209 C CZ2 . TRP B 206 ? 0.5344 0.3923 0.4760 -0.1168 -0.0336 0.2037 338 TRP C CZ2 4210 C CZ3 . TRP B 206 ? 0.6531 0.5376 0.5676 -0.0876 -0.0167 0.2006 338 TRP C CZ3 4211 C CH2 . TRP B 206 ? 0.5803 0.4599 0.5155 -0.1057 -0.0292 0.1998 338 TRP C CH2 4212 N N . ASN B 207 ? 0.6758 0.4910 0.5605 -0.0867 0.0308 0.2613 339 ASN C N 4213 C CA . ASN B 207 ? 0.6520 0.4693 0.5636 -0.1054 0.0378 0.2751 339 ASN C CA 4214 C C . ASN B 207 ? 0.6746 0.5209 0.5953 -0.1052 0.0541 0.2879 339 ASN C C 4215 O O . ASN B 207 ? 0.7485 0.6113 0.7020 -0.1214 0.0596 0.2982 339 ASN C O 4216 C CB . ASN B 207 ? 0.8248 0.6025 0.7212 -0.1076 0.0411 0.2829 339 ASN C CB 4217 C CG . ASN B 207 ? 0.8122 0.5624 0.7077 -0.1102 0.0257 0.2715 339 ASN C CG 4218 O OD1 . ASN B 207 ? 0.8059 0.5635 0.7260 -0.1242 0.0127 0.2624 339 ASN C OD1 4219 N ND2 . ASN B 207 ? 0.8840 0.6025 0.7499 -0.0959 0.0263 0.2719 339 ASN C ND2 4220 N N . LYS B 208 ? 0.6852 0.5386 0.5781 -0.0871 0.0614 0.2870 340 LYS C N 4221 C CA . LYS B 208 ? 0.6983 0.5816 0.5992 -0.0842 0.0767 0.2971 340 LYS C CA 4222 C C . LYS B 208 ? 0.6913 0.6126 0.6232 -0.0873 0.0744 0.2921 340 LYS C C 4223 O O . LYS B 208 ? 0.6289 0.5781 0.5927 -0.0963 0.0833 0.3028 340 LYS C O 4224 C CB . LYS B 208 ? 0.7578 0.6378 0.6193 -0.0640 0.0825 0.2955 340 LYS C CB 4225 C CG . LYS B 208 ? 0.7779 0.6872 0.6460 -0.0591 0.0998 0.3061 340 LYS C CG 4226 C CD . LYS B 208 ? 0.8756 0.7838 0.7059 -0.0388 0.1031 0.3019 340 LYS C CD 4227 C CE . LYS B 208 ? 0.9879 0.9214 0.8229 -0.0328 0.1223 0.3136 340 LYS C CE 4228 N NZ . LYS B 208 ? 0.9898 0.9594 0.8586 -0.0350 0.1284 0.3126 340 LYS C NZ 4229 N N . VAL B 209 ? 0.5736 0.4958 0.4962 -0.0796 0.0624 0.2762 341 VAL C N 4230 C CA . VAL B 209 ? 0.5388 0.4919 0.4857 -0.0816 0.0582 0.2706 341 VAL C CA 4231 C C . VAL B 209 ? 0.5885 0.5517 0.5759 -0.1030 0.0494 0.2751 341 VAL C C 4232 O O . VAL B 209 ? 0.5936 0.5900 0.6130 -0.1094 0.0528 0.2821 341 VAL C O 4233 C CB . VAL B 209 ? 0.5920 0.5374 0.5179 -0.0709 0.0462 0.2522 341 VAL C CB 4234 C CG1 . VAL B 209 ? 0.5503 0.5200 0.5015 -0.0769 0.0386 0.2470 341 VAL C CG1 4235 C CG2 . VAL B 209 ? 0.6856 0.6305 0.5779 -0.0510 0.0536 0.2462 341 VAL C CG2 4236 N N . LEU B 210 ? 0.5482 0.4828 0.5342 -0.1137 0.0372 0.2708 342 LEU C N 4237 C CA . LEU B 210 ? 0.5766 0.5151 0.5970 -0.1352 0.0247 0.2717 342 LEU C CA 4238 C C . LEU B 210 ? 0.6778 0.6337 0.7309 -0.1496 0.0354 0.2885 342 LEU C C 4239 O O . LEU B 210 ? 0.6411 0.6174 0.7314 -0.1663 0.0274 0.2911 342 LEU C O 4240 C CB . LEU B 210 ? 0.6849 0.5839 0.6917 -0.1416 0.0107 0.2621 342 LEU C CB 4241 C CG . LEU B 210 ? 0.8253 0.7218 0.8573 -0.1613 -0.0082 0.2552 342 LEU C CG 4242 C CD1 . LEU B 210 ? 0.7938 0.7185 0.8384 -0.1614 -0.0181 0.2482 342 LEU C CD1 4243 C CD2 . LEU B 210 ? 0.8703 0.7254 0.8801 -0.1617 -0.0210 0.2424 342 LEU C CD2 4244 N N . LYS B 211 ? 0.5908 0.5388 0.6295 -0.1432 0.0530 0.2998 343 LYS C N 4245 C CA . LYS B 211 ? 0.6144 0.5800 0.6819 -0.1551 0.0668 0.3167 343 LYS C CA 4246 C C . LYS B 211 ? 0.7224 0.7360 0.8161 -0.1506 0.0756 0.3230 343 LYS C C 4247 O O . LYS B 211 ? 0.6487 0.6901 0.7843 -0.1653 0.0778 0.3325 343 LYS C O 4248 C CB . LYS B 211 ? 0.6763 0.6175 0.7148 -0.1479 0.0837 0.3272 343 LYS C CB 4249 C CG . LYS B 211 ? 0.7360 0.6946 0.8009 -0.1592 0.1010 0.3456 343 LYS C CG 4250 C CD . LYS B 211 ? 0.7498 0.7062 0.8539 -0.1857 0.0933 0.3490 343 LYS C CD 4251 C CE . LYS B 211 ? 0.8314 0.8068 0.9644 -0.1980 0.1116 0.3674 343 LYS C CE 4252 N NZ . LYS B 211 ? 0.7445 0.7179 0.9172 -0.2253 0.1035 0.3693 343 LYS C NZ 4253 N N . GLN B 212 ? 0.6099 0.6329 0.6790 -0.1298 0.0804 0.3170 344 GLN C N 4254 C CA . GLN B 212 ? 0.6155 0.6808 0.7044 -0.1215 0.0894 0.3215 344 GLN C CA 4255 C C . GLN B 212 ? 0.5806 0.6716 0.7045 -0.1318 0.0740 0.3173 344 GLN C C 4256 O O . GLN B 212 ? 0.5808 0.7110 0.7391 -0.1335 0.0796 0.3261 344 GLN C O 4257 C CB . GLN B 212 ? 0.6010 0.6641 0.6513 -0.0968 0.0963 0.3129 344 GLN C CB 4258 C CG . GLN B 212 ? 0.6564 0.7031 0.6743 -0.0850 0.1121 0.3188 344 GLN C CG 4259 C CD . GLN B 212 ? 0.7104 0.7546 0.6907 -0.0620 0.1157 0.3078 344 GLN C CD 4260 O OE1 . GLN B 212 ? 0.8914 0.9263 0.8556 -0.0557 0.1032 0.2923 344 GLN C OE1 4261 N NE2 . GLN B 212 ? 0.7770 0.8290 0.7434 -0.0498 0.1326 0.3153 344 GLN C NE2 4262 N N . VAL B 213 ? 0.5500 0.6186 0.6643 -0.1379 0.0543 0.3042 345 VAL C N 4263 C CA . VAL B 213 ? 0.5506 0.6376 0.6927 -0.1490 0.0365 0.2993 345 VAL C CA 4264 C C . VAL B 213 ? 0.6775 0.7809 0.8656 -0.1725 0.0306 0.3086 345 VAL C C 4265 O O . VAL B 213 ? 0.6176 0.7581 0.8423 -0.1788 0.0257 0.3133 345 VAL C O 4266 C CB . VAL B 213 ? 0.4822 0.5362 0.5988 -0.1505 0.0168 0.2822 345 VAL C CB 4267 C CG1 . VAL B 213 ? 0.4606 0.5294 0.6037 -0.1646 -0.0033 0.2777 345 VAL C CG1 4268 C CG2 . VAL B 213 ? 0.4732 0.5159 0.5492 -0.1282 0.0215 0.2714 345 VAL C CG2 4269 N N . THR B 214 ? 0.6203 0.6958 0.8063 -0.1849 0.0310 0.3109 346 THR C N 4270 C CA . THR B 214 ? 0.6103 0.6960 0.8377 -0.2084 0.0258 0.3177 346 THR C CA 4271 C C . THR B 214 ? 0.5586 0.6869 0.8217 -0.2093 0.0439 0.3345 346 THR C C 4272 O O . THR B 214 ? 0.5588 0.7179 0.8669 -0.2246 0.0370 0.3388 346 THR C O 4273 C CB . THR B 214 ? 0.5994 0.6415 0.8127 -0.2198 0.0262 0.3173 346 THR C CB 4274 O OG1 . THR B 214 ? 0.6088 0.6363 0.7944 -0.2065 0.0482 0.3266 346 THR C OG1 4275 C CG2 . THR B 214 ? 0.6058 0.6075 0.7894 -0.2199 0.0070 0.3000 346 THR C CG2 4276 N N . GLU B 215 ? 0.5667 0.6968 0.8086 -0.1922 0.0666 0.3430 347 GLU C N 4277 C CA . GLU B 215 ? 0.5764 0.7449 0.8469 -0.1898 0.0865 0.3588 347 GLU C CA 4278 C C . GLU B 215 ? 0.5813 0.7968 0.8787 -0.1813 0.0842 0.3595 347 GLU C C 4279 O O . GLU B 215 ? 0.5882 0.8434 0.9257 -0.1852 0.0935 0.3711 347 GLU C O 4280 C CB . GLU B 215 ? 0.6083 0.7630 0.8420 -0.1714 0.1099 0.3656 347 GLU C CB 4281 C CG . GLU B 215 ? 0.7344 0.8485 0.9472 -0.1803 0.1165 0.3703 347 GLU C CG 4282 C CD . GLU B 215 ? 0.8863 1.0121 1.1409 -0.2032 0.1232 0.3835 347 GLU C CD 4283 O OE1 . GLU B 215 ? 0.9245 1.0876 1.2076 -0.2022 0.1391 0.3961 347 GLU C OE1 4284 O OE2 . GLU B 215 ? 0.9836 1.0807 1.2427 -0.2220 0.1128 0.3806 347 GLU C OE2 4285 N N . LYS B 216 ? 0.5411 0.7518 0.8165 -0.1694 0.0724 0.3474 348 LYS C N 4286 C CA . LYS B 216 ? 0.5109 0.7619 0.8082 -0.1607 0.0689 0.3478 348 LYS C CA 4287 C C . LYS B 216 ? 0.5113 0.7810 0.8500 -0.1815 0.0458 0.3452 348 LYS C C 4288 O O . LYS B 216 ? 0.5504 0.8641 0.9268 -0.1812 0.0442 0.3511 348 LYS C O 4289 C CB . LYS B 216 ? 0.5024 0.7385 0.7580 -0.1404 0.0663 0.3358 348 LYS C CB 4290 C CG . LYS B 216 ? 0.4797 0.7549 0.7512 -0.1266 0.0684 0.3378 348 LYS C CG 4291 C CD . LYS B 216 ? 0.4486 0.7559 0.7348 -0.1125 0.0926 0.3506 348 LYS C CD 4292 C CE . LYS B 216 ? 0.8151 1.1646 1.1248 -0.0996 0.0943 0.3541 348 LYS C CE 4293 N NZ . LYS B 216 ? 0.6986 1.0327 0.9706 -0.0819 0.0907 0.3420 348 LYS C NZ 4294 N N . LEU B 217 ? 0.5094 0.7447 0.8395 -0.1985 0.0271 0.3352 349 LEU C N 4295 C CA . LEU B 217 ? 0.4893 0.7352 0.8531 -0.2194 0.0025 0.3295 349 LEU C CA 4296 C C . LEU B 217 ? 0.5813 0.8543 0.9939 -0.2368 0.0067 0.3400 349 LEU C C 4297 O O . LEU B 217 ? 0.6092 0.9111 1.0610 -0.2495 -0.0095 0.3380 349 LEU C O 4298 C CB . LEU B 217 ? 0.4941 0.6905 0.8300 -0.2309 -0.0175 0.3141 349 LEU C CB 4299 C CG . LEU B 217 ? 0.5828 0.7552 0.8779 -0.2184 -0.0282 0.3007 349 LEU C CG 4300 C CD1 . LEU B 217 ? 0.5962 0.7182 0.8637 -0.2287 -0.0452 0.2857 349 LEU C CD1 4301 C CD2 . LEU B 217 ? 0.4501 0.6560 0.7646 -0.2167 -0.0425 0.2981 349 LEU C CD2 4302 N N . LYS B 218 ? 0.6010 0.8641 1.0099 -0.2374 0.0283 0.3504 350 LYS C N 4303 C CA . LYS B 218 ? 0.6052 0.8934 1.0593 -0.2539 0.0367 0.3619 350 LYS C CA 4304 C C . LYS B 218 ? 0.5806 0.9273 1.0733 -0.2444 0.0472 0.3727 350 LYS C C 4305 O O . LYS B 218 ? 0.6185 0.9986 1.1604 -0.2596 0.0444 0.3779 350 LYS C O 4306 C CB . LYS B 218 ? 0.7630 1.0238 1.1987 -0.2553 0.0595 0.3716 350 LYS C CB 4307 C CG . LYS B 218 ? 0.8430 1.0483 1.2505 -0.2681 0.0500 0.3628 350 LYS C CG 4308 C CD . LYS B 218 ? 0.9324 1.1132 1.3242 -0.2697 0.0736 0.3748 350 LYS C CD 4309 C CE . LYS B 218 ? 1.0028 1.1263 1.3638 -0.2797 0.0653 0.3665 350 LYS C CE 4310 N NZ . LYS B 218 ? 1.0698 1.1866 1.4611 -0.3057 0.0442 0.3577 350 LYS C NZ 4311 N N . GLU B 219 ? 0.5916 0.9499 1.0615 -0.2187 0.0594 0.3751 351 GLU C N 4312 C CA . GLU B 219 ? 0.6221 1.0332 1.1231 -0.2051 0.0705 0.3845 351 GLU C CA 4313 C C . GLU B 219 ? 0.5473 0.9931 1.0871 -0.2128 0.0466 0.3788 351 GLU C C 4314 O O . GLU B 219 ? 0.5412 1.0334 1.1276 -0.2151 0.0495 0.3866 351 GLU C O 4315 C CB . GLU B 219 ? 0.6398 1.0488 1.1015 -0.1748 0.0862 0.3847 351 GLU C CB 4316 C CG . GLU B 219 ? 0.7288 1.1149 1.1557 -0.1624 0.1122 0.3912 351 GLU C CG 4317 C CD . GLU B 219 ? 0.7640 1.1549 1.1581 -0.1319 0.1276 0.3902 351 GLU C CD 4318 O OE1 . GLU B 219 ? 0.7678 1.1877 1.1751 -0.1203 0.1228 0.3884 351 GLU C OE1 4319 O OE2 . GLU B 219 ? 0.7550 1.1193 1.1087 -0.1192 0.1438 0.3904 351 GLU C OE2 4320 N N . HIS B 220 ? 0.5630 0.9860 1.0822 -0.2162 0.0226 0.3647 352 HIS C N 4321 C CA . HIS B 220 ? 0.5635 1.0146 1.1111 -0.2213 -0.0026 0.3572 352 HIS C CA 4322 C C . HIS B 220 ? 0.5802 1.0309 1.1608 -0.2494 -0.0245 0.3504 352 HIS C C 4323 O O . HIS B 220 ? 0.5928 1.0772 1.2084 -0.2550 -0.0429 0.3462 352 HIS C O 4324 C CB . HIS B 220 ? 0.5246 0.9514 1.0333 -0.2118 -0.0186 0.3446 352 HIS C CB 4325 C CG . HIS B 220 ? 0.5210 0.9562 1.0036 -0.1838 -0.0003 0.3492 352 HIS C CG 4326 N ND1 . HIS B 220 ? 0.5332 0.9360 0.9714 -0.1705 0.0200 0.3506 352 HIS C ND1 4327 C CD2 . HIS B 220 ? 0.4880 0.9585 0.9805 -0.1653 0.0006 0.3513 352 HIS C CD2 4328 C CE1 . HIS B 220 ? 0.5056 0.9217 0.9264 -0.1460 0.0327 0.3524 352 HIS C CE1 4329 N NE2 . HIS B 220 ? 0.5623 1.0194 1.0161 -0.1423 0.0224 0.3537 352 HIS C NE2 4330 N N . PHE B 221 ? 0.5587 0.9701 1.1265 -0.2661 -0.0227 0.3483 353 PHE C N 4331 C CA . PHE B 221 ? 0.6252 1.0278 1.2179 -0.2931 -0.0432 0.3395 353 PHE C CA 4332 C C . PHE B 221 ? 0.6808 1.0921 1.3062 -0.3096 -0.0264 0.3507 353 PHE C C 4333 O O . PHE B 221 ? 0.7355 1.1176 1.3632 -0.3312 -0.0348 0.3444 353 PHE C O 4334 C CB . PHE B 221 ? 0.6472 0.9915 1.1974 -0.3014 -0.0614 0.3233 353 PHE C CB 4335 C CG . PHE B 221 ? 0.6341 0.9710 1.1587 -0.2910 -0.0830 0.3099 353 PHE C CG 4336 C CD1 . PHE B 221 ? 0.5914 0.9399 1.1334 -0.3010 -0.1120 0.2966 353 PHE C CD1 4337 C CD2 . PHE B 221 ? 0.5758 0.8934 1.0574 -0.2711 -0.0740 0.3097 353 PHE C CD2 4338 C CE1 . PHE B 221 ? 0.5428 0.8826 1.0581 -0.2909 -0.1312 0.2842 353 PHE C CE1 4339 C CE2 . PHE B 221 ? 0.5805 0.8908 1.0390 -0.2629 -0.0925 0.2978 353 PHE C CE2 4340 C CZ . PHE B 221 ? 0.5376 0.8586 1.0124 -0.2726 -0.1210 0.2853 353 PHE C CZ 4341 N N . ASN B 222 ? 0.7292 1.1796 1.3785 -0.2989 -0.0019 0.3669 354 ASN C N 4342 C CA . ASN B 222 ? 0.7794 1.2484 1.4671 -0.3142 0.0156 0.3790 354 ASN C CA 4343 C C . ASN B 222 ? 0.7785 1.1989 1.4431 -0.3280 0.0278 0.3817 354 ASN C C 4344 O O . ASN B 222 ? 0.7595 1.1761 1.4527 -0.3531 0.0241 0.3811 354 ASN C O 4345 C CB . ASN B 222 ? 0.8982 1.4046 1.6430 -0.3352 -0.0041 0.3737 354 ASN C CB 4346 C CG . ASN B 222 ? 0.9546 1.5122 1.7248 -0.3203 -0.0154 0.3720 354 ASN C CG 4347 O OD1 . ASN B 222 ? 0.9830 1.5861 1.7821 -0.3083 0.0028 0.3849 354 ASN C OD1 4348 N ND2 . ASN B 222 ? 0.9250 1.4741 1.6827 -0.3199 -0.0451 0.3560 354 ASN C ND2 4349 N N . ASN B 223 ? 0.8103 1.1934 1.4227 -0.3113 0.0420 0.3841 355 ASN C N 4350 C CA . ASN B 223 ? 0.9071 1.2433 1.4913 -0.3191 0.0564 0.3881 355 ASN C CA 4351 C C . ASN B 223 ? 0.8278 1.1224 1.4081 -0.3433 0.0362 0.3754 355 ASN C C 4352 O O . ASN B 223 ? 0.8173 1.0819 1.3921 -0.3568 0.0478 0.3805 355 ASN C O 4353 C CB . ASN B 223 ? 1.0766 1.4344 1.6871 -0.3242 0.0851 0.4066 355 ASN C CB 4354 C CG . ASN B 223 ? 1.2187 1.6099 1.8248 -0.2979 0.1082 0.4188 355 ASN C CG 4355 O OD1 . ASN B 223 ? 1.1146 1.4914 1.6775 -0.2741 0.1113 0.4155 355 ASN C OD1 4356 N ND2 . ASN B 223 ? 1.4791 1.9150 2.1298 -0.3020 0.1246 0.4320 355 ASN C ND2 4357 N N . LYS B 224 ? 0.7693 1.0604 1.3500 -0.3479 0.0067 0.3587 357 LYS C N 4358 C CA . LYS B 224 ? 0.7658 1.0152 1.3384 -0.3683 -0.0141 0.3440 357 LYS C CA 4359 C C . LYS B 224 ? 0.7939 0.9832 1.3070 -0.3584 -0.0124 0.3377 357 LYS C C 4360 O O . LYS B 224 ? 0.7323 0.9153 1.2105 -0.3354 -0.0010 0.3414 357 LYS C O 4361 C CB . LYS B 224 ? 0.6815 0.9468 1.2711 -0.3752 -0.0467 0.3271 357 LYS C CB 4362 C CG . LYS B 224 ? 0.6903 1.0101 1.3418 -0.3899 -0.0533 0.3298 357 LYS C CG 4363 C CD . LYS B 224 ? 0.7583 1.0911 1.4197 -0.3938 -0.0871 0.3117 357 LYS C CD 4364 C CE . LYS B 224 ? 0.8280 1.1086 1.4644 -0.4096 -0.1093 0.2926 357 LYS C CE 4365 N NZ . LYS B 224 ? 0.8510 1.1416 1.4913 -0.4119 -0.1423 0.2738 357 LYS C NZ 4366 N N . THR B 225 ? 0.8606 1.0058 1.3625 -0.3753 -0.0238 0.3273 358 THR C N 4367 C CA . THR B 225 ? 0.8346 0.9215 1.2824 -0.3665 -0.0226 0.3208 358 THR C CA 4368 C C . THR B 225 ? 0.7035 0.7775 1.1180 -0.3511 -0.0429 0.3048 358 THR C C 4369 O O . THR B 225 ? 0.6986 0.7760 1.1229 -0.3596 -0.0683 0.2899 358 THR C O 4370 C CB . THR B 225 ? 0.8364 0.8786 1.2824 -0.3883 -0.0287 0.3137 358 THR C CB 4371 O OG1 . THR B 225 ? 0.8843 0.9338 1.3575 -0.4031 -0.0071 0.3297 358 THR C OG1 4372 C CG2 . THR B 225 ? 0.7953 0.7782 1.1855 -0.3764 -0.0276 0.3068 358 THR C CG2 4373 N N . ILE B 226 ? 0.7588 0.8171 1.1323 -0.3285 -0.0315 0.3073 359 ILE C N 4374 C CA . ILE B 226 ? 0.6735 0.7183 1.0130 -0.3132 -0.0471 0.2931 359 ILE C CA 4375 C C . ILE B 226 ? 0.7381 0.7239 1.0345 -0.3114 -0.0537 0.2808 359 ILE C C 4376 O O . ILE B 226 ? 0.8187 0.7764 1.0893 -0.3035 -0.0364 0.2876 359 ILE C O 4377 C CB . ILE B 226 ? 0.6306 0.6961 0.9515 -0.2885 -0.0315 0.3011 359 ILE C CB 4378 C CG1 . ILE B 226 ? 0.6655 0.7893 1.0283 -0.2874 -0.0218 0.3144 359 ILE C CG1 4379 C CG2 . ILE B 226 ? 0.5857 0.6384 0.8743 -0.2751 -0.0474 0.2863 359 ILE C CG2 4380 C CD1 . ILE B 226 ? 0.6928 0.8496 1.0906 -0.2977 -0.0446 0.3070 359 ILE C CD1 4381 N N . ILE B 227 ? 0.6697 0.6368 0.9570 -0.3172 -0.0785 0.2624 360 ILE C N 4382 C CA . ILE B 227 ? 0.7038 0.6159 0.9524 -0.3152 -0.0860 0.2490 360 ILE C CA 4383 C C . ILE B 227 ? 0.7054 0.6053 0.9211 -0.3009 -0.1022 0.2326 360 ILE C C 4384 O O . ILE B 227 ? 0.6771 0.5993 0.9044 -0.3037 -0.1193 0.2245 360 ILE C O 4385 C CB . ILE B 227 ? 0.7354 0.6249 0.9998 -0.3378 -0.0998 0.2397 360 ILE C CB 4386 C CG1 . ILE B 227 ? 0.7919 0.6950 1.0929 -0.3550 -0.0838 0.2556 360 ILE C CG1 4387 C CG2 . ILE B 227 ? 0.8002 0.6318 1.0242 -0.3335 -0.1046 0.2270 360 ILE C CG2 4388 C CD1 . ILE B 227 ? 0.8303 0.7145 1.1515 -0.3796 -0.0965 0.2465 360 ILE C CD1 4389 N N . PHE B 228 ? 0.6622 0.5266 0.8365 -0.2852 -0.0963 0.2279 361 PHE C N 4390 C CA . PHE B 228 ? 0.6414 0.4897 0.7823 -0.2719 -0.1095 0.2116 361 PHE C CA 4391 C C . PHE B 228 ? 0.6707 0.4746 0.7904 -0.2771 -0.1253 0.1936 361 PHE C C 4392 O O . PHE B 228 ? 0.7047 0.4774 0.8189 -0.2821 -0.1196 0.1950 361 PHE C O 4393 C CB . PHE B 228 ? 0.6709 0.5117 0.7799 -0.2494 -0.0940 0.2155 361 PHE C CB 4394 C CG . PHE B 228 ? 0.6106 0.4934 0.7318 -0.2399 -0.0807 0.2284 361 PHE C CG 4395 C CD1 . PHE B 228 ? 0.6584 0.5657 0.7812 -0.2347 -0.0897 0.2232 361 PHE C CD1 4396 C CD2 . PHE B 228 ? 0.7368 0.6322 0.8649 -0.2350 -0.0584 0.2456 361 PHE C CD2 4397 C CE1 . PHE B 228 ? 0.6486 0.5933 0.7816 -0.2245 -0.0763 0.2350 361 PHE C CE1 4398 C CE2 . PHE B 228 ? 0.7416 0.6745 0.8781 -0.2241 -0.0452 0.2562 361 PHE C CE2 4399 C CZ . PHE B 228 ? 0.6972 0.6551 0.8370 -0.2187 -0.0540 0.2508 361 PHE C CZ 4400 N N . GLN B 229 ? 0.6605 0.4604 0.7663 -0.2748 -0.1443 0.1770 362 GLN C N 4401 C CA . GLN B 229 ? 0.7835 0.5422 0.8642 -0.2762 -0.1590 0.1580 362 GLN C CA 4402 C C . GLN B 229 ? 0.7121 0.4607 0.7579 -0.2596 -0.1670 0.1433 362 GLN C C 4403 O O . GLN B 229 ? 0.6848 0.4617 0.7337 -0.2538 -0.1683 0.1455 362 GLN C O 4404 C CB . GLN B 229 ? 0.7873 0.5505 0.8916 -0.2961 -0.1770 0.1500 362 GLN C CB 4405 C CG . GLN B 229 ? 0.7939 0.5597 0.9316 -0.3150 -0.1699 0.1612 362 GLN C CG 4406 C CD . GLN B 229 ? 0.9324 0.6508 1.0508 -0.3153 -0.1618 0.1594 362 GLN C CD 4407 O OE1 . GLN B 229 ? 0.9996 0.6813 1.0839 -0.3061 -0.1689 0.1444 362 GLN C OE1 4408 N NE2 . GLN B 229 ? 0.9763 0.6950 1.1160 -0.3252 -0.1456 0.1752 362 GLN C NE2 4409 N N . PRO B 230 ? 0.7682 0.4760 0.7810 -0.2515 -0.1711 0.1288 363 PRO C N 4410 C CA . PRO B 230 ? 0.6933 0.3894 0.6725 -0.2362 -0.1777 0.1135 363 PRO C CA 4411 C C . PRO B 230 ? 0.7551 0.4628 0.7362 -0.2424 -0.1965 0.1021 363 PRO C C 4412 O O . PRO B 230 ? 0.6971 0.4125 0.7014 -0.2586 -0.2073 0.1018 363 PRO C O 4413 C CB . PRO B 230 ? 0.7128 0.3640 0.6635 -0.2291 -0.1778 0.1014 363 PRO C CB 4414 C CG . PRO B 230 ? 0.8940 0.5314 0.8643 -0.2457 -0.1790 0.1058 363 PRO C CG 4415 C CD . PRO B 230 ? 0.8623 0.5326 0.8676 -0.2555 -0.1679 0.1265 363 PRO C CD 4416 N N . PRO B 231 ? 0.6889 0.3980 0.6459 -0.2294 -0.1999 0.0928 364 PRO C N 4417 C CA . PRO B 231 ? 0.7535 0.4708 0.7057 -0.2317 -0.2169 0.0817 364 PRO C CA 4418 C C . PRO B 231 ? 0.8163 0.5075 0.7596 -0.2391 -0.2315 0.0670 364 PRO C C 4419 O O . PRO B 231 ? 0.8541 0.5106 0.7761 -0.2341 -0.2283 0.0587 364 PRO C O 4420 C CB . PRO B 231 ? 0.7046 0.4117 0.6216 -0.2131 -0.2128 0.0722 364 PRO C CB 4421 C CG . PRO B 231 ? 0.7245 0.4396 0.6440 -0.2049 -0.1944 0.0844 364 PRO C CG 4422 C CD . PRO B 231 ? 0.7343 0.4388 0.6679 -0.2113 -0.1868 0.0930 364 PRO C CD 4423 N N . SER B 232 ? 0.8730 0.5819 0.8329 -0.2502 -0.2476 0.0637 365 SER C N 4424 C CA . SER B 232 ? 1.0033 0.6904 0.9580 -0.2591 -0.2625 0.0497 365 SER C CA 4425 C C . SER B 232 ? 1.0068 0.6613 0.9158 -0.2443 -0.2676 0.0307 365 SER C C 4426 O O . SER B 232 ? 1.0516 0.6746 0.9455 -0.2465 -0.2730 0.0187 365 SER C O 4427 C CB . SER B 232 ? 0.9749 0.6939 0.9609 -0.2739 -0.2790 0.0508 365 SER C CB 4428 O OG . SER B 232 ? 0.9873 0.7281 0.9645 -0.2643 -0.2859 0.0484 365 SER C OG 4429 N N . GLY B 233 ? 0.9308 0.5926 0.8182 -0.2290 -0.2645 0.0281 366 GLY C N 4430 C CA . GLY B 233 ? 0.8979 0.5323 0.7428 -0.2134 -0.2657 0.0117 366 GLY C CA 4431 C C . GLY B 233 ? 0.9165 0.5652 0.7439 -0.1994 -0.2621 0.0111 366 GLY C C 4432 O O . GLY B 233 ? 0.9337 0.6139 0.7820 -0.2021 -0.2605 0.0229 366 GLY C O 4433 N N . GLY B 234 ? 0.8401 0.4656 0.6295 -0.1842 -0.2596 -0.0022 367 GLY C N 4434 C CA . GLY B 234 ? 0.8096 0.4438 0.5787 -0.1699 -0.2539 -0.0039 367 GLY C CA 4435 C C . GLY B 234 ? 0.7723 0.3854 0.5125 -0.1528 -0.2364 -0.0096 367 GLY C C 4436 O O . GLY B 234 ? 0.8285 0.4194 0.5621 -0.1505 -0.2306 -0.0137 367 GLY C O 4437 N N . ASP B 235 ? 0.7469 0.3681 0.4717 -0.1406 -0.2275 -0.0098 368 ASP C N 4438 C CA . ASP B 235 ? 0.7944 0.4012 0.4962 -0.1246 -0.2095 -0.0150 368 ASP C CA 4439 C C . ASP B 235 ? 0.6950 0.3060 0.4131 -0.1254 -0.1979 -0.0069 368 ASP C C 4440 O O . ASP B 235 ? 0.7042 0.3328 0.4498 -0.1371 -0.2013 0.0048 368 ASP C O 4441 C CB . ASP B 235 ? 0.8056 0.4221 0.4908 -0.1133 -0.2017 -0.0159 368 ASP C CB 4442 C CG . ASP B 235 ? 0.9521 0.5633 0.6177 -0.1100 -0.2121 -0.0234 368 ASP C CG 4443 O OD1 . ASP B 235 ? 0.9685 0.5614 0.6240 -0.1122 -0.2216 -0.0320 368 ASP C OD1 4444 O OD2 . ASP B 235 ? 0.9606 0.5852 0.6196 -0.1046 -0.2107 -0.0209 368 ASP C OD2 4445 N N . LEU B 236 ? 0.6980 0.2947 0.4004 -0.1124 -0.1838 -0.0129 369 LEU C N 4446 C CA . LEU B 236 ? 0.6692 0.2684 0.3840 -0.1104 -0.1730 -0.0068 369 LEU C CA 4447 C C . LEU B 236 ? 0.6567 0.2804 0.3853 -0.1115 -0.1662 0.0033 369 LEU C C 4448 O O . LEU B 236 ? 0.6527 0.2841 0.3991 -0.1152 -0.1618 0.0127 369 LEU C O 4449 C CB . LEU B 236 ? 0.6419 0.2244 0.3381 -0.0948 -0.1601 -0.0164 369 LEU C CB 4450 C CG . LEU B 236 ? 0.6908 0.2464 0.3757 -0.0930 -0.1644 -0.0251 369 LEU C CG 4451 C CD1 . LEU B 236 ? 0.7492 0.2932 0.4201 -0.0768 -0.1505 -0.0330 369 LEU C CD1 4452 C CD2 . LEU B 236 ? 0.7810 0.3305 0.4850 -0.1055 -0.1726 -0.0178 369 LEU C CD2 4453 N N . GLU B 237 ? 0.6081 0.2423 0.3271 -0.1077 -0.1647 0.0016 370 GLU C N 4454 C CA . GLU B 237 ? 0.6536 0.3089 0.3828 -0.1088 -0.1587 0.0099 370 GLU C CA 4455 C C . GLU B 237 ? 0.7162 0.3908 0.4743 -0.1250 -0.1694 0.0237 370 GLU C C 4456 O O . GLU B 237 ? 0.6463 0.3463 0.4240 -0.1232 -0.1590 0.0353 370 GLU C O 4457 C CB . GLU B 237 ? 0.6335 0.2939 0.3439 -0.1008 -0.1551 0.0049 370 GLU C CB 4458 C CG . GLU B 237 ? 0.6863 0.3340 0.3744 -0.0852 -0.1391 -0.0056 370 GLU C CG 4459 C CD . GLU B 237 ? 0.7224 0.3493 0.3931 -0.0802 -0.1423 -0.0153 370 GLU C CD 4460 O OE1 . GLU B 237 ? 0.6571 0.2791 0.3265 -0.0873 -0.1575 -0.0157 370 GLU C OE1 4461 O OE2 . GLU B 237 ? 0.6730 0.2897 0.3324 -0.0693 -0.1298 -0.0228 370 GLU C OE2 4462 N N . ILE B 238 ? 0.6966 0.3706 0.4639 -0.1352 -0.1844 0.0242 371 ILE C N 4463 C CA . ILE B 238 ? 0.7750 0.4722 0.5753 -0.1515 -0.1945 0.0376 371 ILE C CA 4464 C C . ILE B 238 ? 0.7772 0.4704 0.5986 -0.1600 -0.1923 0.0457 371 ILE C C 4465 O O . ILE B 238 ? 0.6853 0.3986 0.5337 -0.1677 -0.1875 0.0610 371 ILE C O 4466 C CB . ILE B 238 ? 0.8596 0.5634 0.6629 -0.1584 -0.2126 0.0339 371 ILE C CB 4467 C CG1 . ILE B 238 ? 0.9603 0.6642 0.7366 -0.1460 -0.2134 0.0255 371 ILE C CG1 4468 C CG2 . ILE B 238 ? 0.9081 0.6450 0.7516 -0.1745 -0.2220 0.0485 371 ILE C CG2 4469 C CD1 . ILE B 238 ? 0.9222 0.6518 0.7031 -0.1390 -0.2035 0.0338 371 ILE C CD1 4470 N N . THR B 239 ? 0.5982 0.2651 0.4063 -0.1575 -0.1944 0.0362 372 THR C N 4471 C CA . THR B 239 ? 0.6121 0.2705 0.4363 -0.1651 -0.1931 0.0423 372 THR C CA 4472 C C . THR B 239 ? 0.7088 0.3651 0.5330 -0.1563 -0.1770 0.0490 372 THR C C 4473 O O . THR B 239 ? 0.6848 0.3397 0.5250 -0.1617 -0.1729 0.0587 372 THR C O 4474 C CB . THR B 239 ? 0.6946 0.3223 0.5020 -0.1643 -0.2002 0.0292 372 THR C CB 4475 O OG1 . THR B 239 ? 0.6564 0.2640 0.4333 -0.1471 -0.1917 0.0172 372 THR C OG1 4476 C CG2 . THR B 239 ? 0.6722 0.3016 0.4791 -0.1727 -0.2169 0.0223 372 THR C CG2 4477 N N . MET B 240 ? 0.5875 0.2436 0.3935 -0.1423 -0.1674 0.0438 373 MET C N 4478 C CA . MET B 240 ? 0.6208 0.2775 0.4260 -0.1323 -0.1531 0.0490 373 MET C CA 4479 C C . MET B 240 ? 0.6260 0.3063 0.4359 -0.1285 -0.1446 0.0564 373 MET C C 4480 O O . MET B 240 ? 0.5983 0.2899 0.4051 -0.1295 -0.1479 0.0535 373 MET C O 4481 C CB . MET B 240 ? 0.6336 0.2668 0.4137 -0.1172 -0.1478 0.0347 373 MET C CB 4482 C CG . MET B 240 ? 0.7779 0.3849 0.5488 -0.1184 -0.1551 0.0260 373 MET C CG 4483 S SD . MET B 240 ? 0.8123 0.3956 0.5572 -0.0991 -0.1467 0.0113 373 MET C SD 4484 C CE . MET B 240 ? 0.7090 0.2915 0.4639 -0.0926 -0.1373 0.0218 373 MET C CE 4485 N N . HIS B 241 ? 0.5560 0.2454 0.3723 -0.1220 -0.1326 0.0660 374 HIS C N 4486 C CA . HIS B 241 ? 0.5093 0.2269 0.3288 -0.1121 -0.1204 0.0702 374 HIS C CA 4487 C C . HIS B 241 ? 0.4998 0.2095 0.2975 -0.0982 -0.1146 0.0543 374 HIS C C 4488 O O . HIS B 241 ? 0.5556 0.2517 0.3435 -0.0890 -0.1099 0.0487 374 HIS C O 4489 C CB . HIS B 241 ? 0.5107 0.2399 0.3403 -0.1077 -0.1100 0.0839 374 HIS C CB 4490 C CG . HIS B 241 ? 0.4829 0.2374 0.3111 -0.0947 -0.0972 0.0842 374 HIS C CG 4491 N ND1 . HIS B 241 ? 0.4450 0.2235 0.2784 -0.0934 -0.0935 0.0841 374 HIS C ND1 4492 C CD2 . HIS B 241 ? 0.4543 0.2127 0.2760 -0.0824 -0.0880 0.0841 374 HIS C CD2 4493 C CE1 . HIS B 241 ? 0.4819 0.2754 0.3115 -0.0818 -0.0820 0.0832 374 HIS C CE1 4494 N NE2 . HIS B 241 ? 0.4455 0.2286 0.2685 -0.0753 -0.0793 0.0828 374 HIS C NE2 4495 N N . SER B 242 ? 0.5058 0.2244 0.2968 -0.0965 -0.1147 0.0475 375 SER C N 4496 C CA . SER B 242 ? 0.4735 0.1845 0.2449 -0.0850 -0.1075 0.0332 375 SER C CA 4497 C C . SER B 242 ? 0.5218 0.2587 0.2977 -0.0770 -0.0946 0.0352 375 SER C C 4498 O O . SER B 242 ? 0.5084 0.2662 0.2956 -0.0800 -0.0940 0.0443 375 SER C O 4499 C CB . SER B 242 ? 0.5355 0.2287 0.2885 -0.0877 -0.1161 0.0225 375 SER C CB 4500 O OG . SER B 242 ? 0.5861 0.2972 0.3447 -0.0922 -0.1205 0.0280 375 SER C OG 4501 N N . PHE B 243 ? 0.4970 0.2326 0.2652 -0.0668 -0.0843 0.0262 376 PHE C N 4502 C CA . PHE B 243 ? 0.5488 0.3050 0.3205 -0.0600 -0.0721 0.0257 376 PHE C CA 4503 C C . PHE B 243 ? 0.5561 0.3055 0.3181 -0.0514 -0.0632 0.0116 376 PHE C C 4504 O O . PHE B 243 ? 0.5268 0.2583 0.2812 -0.0490 -0.0658 0.0038 376 PHE C O 4505 C CB . PHE B 243 ? 0.4936 0.2692 0.2803 -0.0583 -0.0683 0.0367 376 PHE C CB 4506 C CG . PHE B 243 ? 0.5146 0.2823 0.3024 -0.0544 -0.0697 0.0366 376 PHE C CG 4507 C CD1 . PHE B 243 ? 0.4898 0.2433 0.2805 -0.0605 -0.0786 0.0443 376 PHE C CD1 4508 C CD2 . PHE B 243 ? 0.5183 0.2924 0.3047 -0.0445 -0.0627 0.0289 376 PHE C CD2 4509 C CE1 . PHE B 243 ? 0.4753 0.2185 0.2645 -0.0551 -0.0795 0.0455 376 PHE C CE1 4510 C CE2 . PHE B 243 ? 0.4549 0.2228 0.2416 -0.0386 -0.0652 0.0294 376 PHE C CE2 4511 C CZ . PHE B 243 ? 0.4507 0.2019 0.2373 -0.0430 -0.0732 0.0383 376 PHE C CZ 4512 N N . ASN B 244 ? 0.4949 0.2584 0.2584 -0.0470 -0.0521 0.0082 377 ASN C N 4513 C CA . ASN B 244 ? 0.4599 0.2212 0.2195 -0.0407 -0.0423 -0.0048 377 ASN C CA 4514 C C . ASN B 244 ? 0.4645 0.2439 0.2370 -0.0354 -0.0373 -0.0064 377 ASN C C 4515 O O . ASN B 244 ? 0.4854 0.2807 0.2642 -0.0355 -0.0337 -0.0013 377 ASN C O 4516 C CB . ASN B 244 ? 0.4801 0.2391 0.2297 -0.0407 -0.0329 -0.0099 377 ASN C CB 4517 C CG . ASN B 244 ? 0.5104 0.2649 0.2568 -0.0362 -0.0217 -0.0233 377 ASN C CG 4518 O OD1 . ASN B 244 ? 0.4794 0.2483 0.2386 -0.0333 -0.0148 -0.0284 377 ASN C OD1 4519 N ND2 . ASN B 244 ? 0.5894 0.3248 0.3192 -0.0355 -0.0198 -0.0293 377 ASN C ND2 4520 N N . CYS B 245 ? 0.3938 0.1706 0.1694 -0.0298 -0.0376 -0.0141 378 CYS C N 4521 C CA . CYS B 245 ? 0.4854 0.2798 0.2727 -0.0236 -0.0358 -0.0168 378 CYS C CA 4522 C C . CYS B 245 ? 0.4297 0.2295 0.2228 -0.0189 -0.0277 -0.0318 378 CYS C C 4523 O O . CYS B 245 ? 0.4439 0.2334 0.2353 -0.0146 -0.0282 -0.0383 378 CYS C O 4524 C CB . CYS B 245 ? 0.4789 0.2691 0.2680 -0.0194 -0.0455 -0.0097 378 CYS C CB 4525 S SG . CYS B 245 ? 0.5708 0.3811 0.3699 -0.0087 -0.0466 -0.0129 378 CYS C SG 4526 N N . ARG B 246 ? 0.4744 0.2902 0.2751 -0.0198 -0.0197 -0.0375 379 ARG C N 4527 C CA . ARG B 246 ? 0.4500 0.2752 0.2615 -0.0180 -0.0106 -0.0517 379 ARG C CA 4528 C C . ARG B 246 ? 0.4758 0.2850 0.2792 -0.0197 -0.0018 -0.0576 379 ARG C C 4529 O O . ARG B 246 ? 0.5008 0.3141 0.3130 -0.0159 0.0042 -0.0679 379 ARG C O 4530 C CB . ARG B 246 ? 0.4703 0.3092 0.2955 -0.0092 -0.0165 -0.0577 379 ARG C CB 4531 C CG . ARG B 246 ? 0.4399 0.2895 0.2665 -0.0048 -0.0270 -0.0499 379 ARG C CG 4532 C CD . ARG B 246 ? 0.4286 0.2925 0.2574 -0.0087 -0.0239 -0.0503 379 ARG C CD 4533 N NE . ARG B 246 ? 0.4557 0.3265 0.2799 -0.0037 -0.0327 -0.0410 379 ARG C NE 4534 C CZ . ARG B 246 ? 0.3935 0.2725 0.2136 -0.0051 -0.0312 -0.0378 379 ARG C CZ 4535 N NH1 . ARG B 246 ? 0.4882 0.3679 0.3089 -0.0117 -0.0220 -0.0435 379 ARG C NH1 4536 N NH2 . ARG B 246 ? 0.4746 0.3586 0.2877 0.0008 -0.0379 -0.0286 379 ARG C NH2 4537 N N . GLY B 247 ? 0.4235 0.2155 0.2098 -0.0246 -0.0011 -0.0508 380 GLY C N 4538 C CA . GLY B 247 ? 0.4323 0.2062 0.2043 -0.0252 0.0066 -0.0554 380 GLY C CA 4539 C C . GLY B 247 ? 0.4868 0.2409 0.2454 -0.0220 -0.0023 -0.0542 380 GLY C C 4540 O O . GLY B 247 ? 0.4900 0.2262 0.2316 -0.0219 0.0015 -0.0566 380 GLY C O 4541 N N . GLU B 248 ? 0.4507 0.2068 0.2159 -0.0189 -0.0141 -0.0501 381 GLU C N 4542 C CA . GLU B 248 ? 0.4678 0.2020 0.2212 -0.0161 -0.0231 -0.0497 381 GLU C CA 4543 C C . GLU B 248 ? 0.4513 0.1733 0.1949 -0.0235 -0.0356 -0.0381 381 GLU C C 4544 O O . GLU B 248 ? 0.4846 0.2203 0.2372 -0.0277 -0.0396 -0.0283 381 GLU C O 4545 C CB . GLU B 248 ? 0.5402 0.2801 0.3061 -0.0075 -0.0281 -0.0517 381 GLU C CB 4546 C CG . GLU B 248 ? 0.5187 0.2777 0.3011 0.0002 -0.0179 -0.0631 381 GLU C CG 4547 C CD . GLU B 248 ? 0.6155 0.3620 0.3900 0.0049 -0.0075 -0.0739 381 GLU C CD 4548 O OE1 . GLU B 248 ? 0.6488 0.3680 0.4027 0.0058 -0.0115 -0.0737 381 GLU C OE1 4549 O OE2 . GLU B 248 ? 0.5604 0.3243 0.3492 0.0074 0.0050 -0.0829 381 GLU C OE2 4550 N N . PHE B 249 ? 0.4642 0.1610 0.1900 -0.0250 -0.0417 -0.0399 382 PHE C N 4551 C CA . PHE B 249 ? 0.5112 0.1973 0.2303 -0.0338 -0.0549 -0.0304 382 PHE C CA 4552 C C . PHE B 249 ? 0.5048 0.1798 0.2288 -0.0349 -0.0665 -0.0249 382 PHE C C 4553 O O . PHE B 249 ? 0.5721 0.2257 0.2864 -0.0312 -0.0702 -0.0308 382 PHE C O 4554 C CB . PHE B 249 ? 0.5176 0.1914 0.2205 -0.0351 -0.0559 -0.0327 382 PHE C CB 4555 C CG . PHE B 249 ? 0.5538 0.2367 0.2510 -0.0350 -0.0456 -0.0332 382 PHE C CG 4556 C CD1 . PHE B 249 ? 0.4835 0.1711 0.1801 -0.0280 -0.0299 -0.0409 382 PHE C CD1 4557 C CD2 . PHE B 249 ? 0.6076 0.2935 0.3004 -0.0419 -0.0513 -0.0257 382 PHE C CD2 4558 C CE1 . PHE B 249 ? 0.5662 0.2585 0.2567 -0.0283 -0.0194 -0.0400 382 PHE C CE1 4559 C CE2 . PHE B 249 ? 0.5838 0.2743 0.2688 -0.0404 -0.0415 -0.0254 382 PHE C CE2 4560 C CZ . PHE B 249 ? 0.5518 0.2440 0.2353 -0.0338 -0.0251 -0.0321 382 PHE C CZ 4561 N N . PHE B 250 ? 0.5003 0.1907 0.2394 -0.0392 -0.0706 -0.0126 383 PHE C N 4562 C CA . PHE B 250 ? 0.4709 0.1510 0.2152 -0.0409 -0.0797 -0.0045 383 PHE C CA 4563 C C . PHE B 250 ? 0.5126 0.1787 0.2544 -0.0539 -0.0917 0.0032 383 PHE C C 4564 O O . PHE B 250 ? 0.5338 0.2121 0.2788 -0.0614 -0.0935 0.0081 383 PHE C O 4565 C CB . PHE B 250 ? 0.4646 0.1680 0.2248 -0.0382 -0.0767 0.0058 383 PHE C CB 4566 C CG . PHE B 250 ? 0.5021 0.2152 0.2665 -0.0252 -0.0704 -0.0013 383 PHE C CG 4567 C CD1 . PHE B 250 ? 0.5596 0.2869 0.3259 -0.0201 -0.0607 -0.0128 383 PHE C CD1 4568 C CD2 . PHE B 250 ? 0.5513 0.2598 0.3187 -0.0183 -0.0744 0.0039 383 PHE C CD2 4569 C CE1 . PHE B 250 ? 0.5903 0.3306 0.3651 -0.0093 -0.0562 -0.0201 383 PHE C CE1 4570 C CE2 . PHE B 250 ? 0.5880 0.3086 0.3607 -0.0053 -0.0707 -0.0028 383 PHE C CE2 4571 C CZ . PHE B 250 ? 0.5522 0.2907 0.3305 -0.0013 -0.0622 -0.0155 383 PHE C CZ 4572 N N . TYR B 251 ? 0.5405 0.1807 0.2776 -0.0561 -0.1003 0.0038 384 TYR C N 4573 C CA . TYR B 251 ? 0.5491 0.1794 0.2895 -0.0695 -0.1121 0.0108 384 TYR C CA 4574 C C . TYR B 251 ? 0.5389 0.1623 0.2900 -0.0715 -0.1148 0.0221 384 TYR C C 4575 O O . TYR B 251 ? 0.6140 0.2195 0.3585 -0.0630 -0.1142 0.0175 384 TYR C O 4576 C CB . TYR B 251 ? 0.6032 0.2175 0.3297 -0.0683 -0.1169 -0.0006 384 TYR C CB 4577 C CG . TYR B 251 ? 0.5963 0.2173 0.3110 -0.0670 -0.1148 -0.0082 384 TYR C CG 4578 C CD1 . TYR B 251 ? 0.6377 0.2653 0.3442 -0.0559 -0.1020 -0.0165 384 TYR C CD1 4579 C CD2 . TYR B 251 ? 0.6437 0.2643 0.3559 -0.0766 -0.1254 -0.0068 384 TYR C CD2 4580 C CE1 . TYR B 251 ? 0.6165 0.2488 0.3115 -0.0540 -0.0980 -0.0214 384 TYR C CE1 4581 C CE2 . TYR B 251 ? 0.6221 0.2461 0.3206 -0.0736 -0.1236 -0.0124 384 TYR C CE2 4582 C CZ . TYR B 251 ? 0.6525 0.2814 0.3416 -0.0621 -0.1090 -0.0190 384 TYR C CZ 4583 O OH . TYR B 251 ? 0.5897 0.2201 0.2642 -0.0587 -0.1054 -0.0228 384 TYR C OH 4584 N N . CYS B 252 ? 0.5312 0.1699 0.2991 -0.0815 -0.1163 0.0376 385 CYS C N 4585 C CA . CYS B 252 ? 0.5859 0.2224 0.3642 -0.0821 -0.1152 0.0503 385 CYS C CA 4586 C C . CYS B 252 ? 0.5997 0.2361 0.3936 -0.0977 -0.1221 0.0594 385 CYS C C 4587 O O . CYS B 252 ? 0.5938 0.2469 0.3996 -0.1091 -0.1261 0.0639 385 CYS C O 4588 C CB . CYS B 252 ? 0.6242 0.2826 0.4092 -0.0762 -0.1064 0.0626 385 CYS C CB 4589 S SG . CYS B 252 ? 0.6710 0.3436 0.4470 -0.0562 -0.0969 0.0494 385 CYS C SG 4590 N N . ASN B 253 ? 0.6360 0.2530 0.4305 -0.0978 -0.1233 0.0622 386 ASN C N 4591 C CA . ASN B 253 ? 0.6682 0.2809 0.4782 -0.1130 -0.1287 0.0703 386 ASN C CA 4592 C C . ASN B 253 ? 0.6144 0.2484 0.4448 -0.1183 -0.1209 0.0901 386 ASN C C 4593 O O . ASN B 253 ? 0.6591 0.2911 0.4866 -0.1085 -0.1122 0.0984 386 ASN C O 4594 C CB . ASN B 253 ? 0.6656 0.2450 0.4658 -0.1102 -0.1314 0.0650 386 ASN C CB 4595 C CG . ASN B 253 ? 0.7234 0.2928 0.5368 -0.1274 -0.1389 0.0684 386 ASN C CG 4596 O OD1 . ASN B 253 ? 0.6858 0.2715 0.5211 -0.1397 -0.1371 0.0825 386 ASN C OD1 4597 N ND2 . ASN B 253 ? 0.8502 0.3931 0.6505 -0.1280 -0.1466 0.0551 386 ASN C ND2 4598 N N . THR B 254 ? 0.6024 0.2575 0.4531 -0.1327 -0.1237 0.0978 387 THR C N 4599 C CA . THR B 254 ? 0.6850 0.3656 0.5562 -0.1368 -0.1139 0.1167 387 THR C CA 4600 C C . THR B 254 ? 0.6213 0.2960 0.5118 -0.1507 -0.1134 0.1282 387 THR C C 4601 O O . THR B 254 ? 0.6435 0.3422 0.5556 -0.1580 -0.1063 0.1433 387 THR C O 4602 C CB . THR B 254 ? 0.6108 0.3244 0.4958 -0.1423 -0.1143 0.1209 387 THR C CB 4603 O OG1 . THR B 254 ? 0.6339 0.3462 0.5274 -0.1565 -0.1284 0.1143 387 THR C OG1 4604 C CG2 . THR B 254 ? 0.5684 0.2892 0.4353 -0.1281 -0.1105 0.1126 387 THR C CG2 4605 N N . THR B 255 ? 0.6281 0.2707 0.5109 -0.1539 -0.1196 0.1209 388 THR C N 4606 C CA . THR B 255 ? 0.7563 0.3880 0.6562 -0.1678 -0.1187 0.1305 388 THR C CA 4607 C C . THR B 255 ? 0.6805 0.3191 0.5876 -0.1635 -0.1021 0.1500 388 THR C C 4608 O O . THR B 255 ? 0.7972 0.4491 0.7277 -0.1763 -0.0962 0.1638 388 THR C O 4609 C CB . THR B 255 ? 0.8213 0.4122 0.7062 -0.1680 -0.1257 0.1191 388 THR C CB 4610 O OG1 . THR B 255 ? 0.7415 0.3264 0.6202 -0.1737 -0.1407 0.1019 388 THR C OG1 4611 C CG2 . THR B 255 ? 0.8021 0.3779 0.7035 -0.1817 -0.1219 0.1302 388 THR C CG2 4612 N N . GLN B 256 ? 0.6846 0.3151 0.5712 -0.1446 -0.0942 0.1510 389 GLN C N 4613 C CA . GLN B 256 ? 0.7030 0.3358 0.5891 -0.1366 -0.0788 0.1687 389 GLN C CA 4614 C C . GLN B 256 ? 0.7513 0.4227 0.6486 -0.1347 -0.0683 0.1806 389 GLN C C 4615 O O . GLN B 256 ? 0.7243 0.4016 0.6245 -0.1314 -0.0542 0.1970 389 GLN C O 4616 C CB . GLN B 256 ? 0.8158 0.4283 0.6755 -0.1156 -0.0764 0.1653 389 GLN C CB 4617 C CG . GLN B 256 ? 0.9741 0.5469 0.8221 -0.1148 -0.0839 0.1558 389 GLN C CG 4618 C CD . GLN B 256 ? 1.0747 0.6322 0.8982 -0.0928 -0.0843 0.1494 389 GLN C CD 4619 O OE1 . GLN B 256 ? 1.1261 0.6660 0.9407 -0.0823 -0.0780 0.1593 389 GLN C OE1 4620 N NE2 . GLN B 256 ? 0.9566 0.5208 0.7696 -0.0852 -0.0915 0.1334 389 GLN C NE2 4621 N N . LEU B 257 ? 0.6053 0.3010 0.5067 -0.1355 -0.0741 0.1724 390 LEU C N 4622 C CA . LEU B 257 ? 0.6880 0.4203 0.5996 -0.1327 -0.0644 0.1821 390 LEU C CA 4623 C C . LEU B 257 ? 0.7629 0.5146 0.7044 -0.1495 -0.0595 0.1960 390 LEU C C 4624 O O . LEU B 257 ? 0.8203 0.5959 0.7695 -0.1458 -0.0456 0.2094 390 LEU C O 4625 C CB . LEU B 257 ? 0.7489 0.4991 0.6566 -0.1292 -0.0717 0.1698 390 LEU C CB 4626 C CG . LEU B 257 ? 0.7542 0.5068 0.6383 -0.1094 -0.0676 0.1628 390 LEU C CG 4627 C CD1 . LEU B 257 ? 0.6303 0.4013 0.5136 -0.1085 -0.0721 0.1529 390 LEU C CD1 4628 C CD2 . LEU B 257 ? 0.7547 0.5214 0.6342 -0.0973 -0.0521 0.1765 390 LEU C CD2 4629 N N . PHE B 258 ? 0.6064 0.3481 0.5643 -0.1674 -0.0709 0.1919 391 PHE C N 4630 C CA . PHE B 258 ? 0.6873 0.4498 0.6785 -0.1855 -0.0688 0.2036 391 PHE C CA 4631 C C . PHE B 258 ? 0.7140 0.4503 0.7133 -0.1977 -0.0661 0.2099 391 PHE C C 4632 O O . PHE B 258 ? 0.6773 0.4090 0.6958 -0.2159 -0.0773 0.2056 391 PHE C O 4633 C CB . PHE B 258 ? 0.6614 0.4413 0.6704 -0.1984 -0.0857 0.1943 391 PHE C CB 4634 C CG . PHE B 258 ? 0.7310 0.5325 0.7307 -0.1873 -0.0880 0.1884 391 PHE C CG 4635 C CD1 . PHE B 258 ? 0.7121 0.5519 0.7281 -0.1842 -0.0777 0.2003 391 PHE C CD1 4636 C CD2 . PHE B 258 ? 0.7288 0.5114 0.7029 -0.1793 -0.0990 0.1710 391 PHE C CD2 4637 C CE1 . PHE B 258 ? 0.6658 0.5227 0.6721 -0.1737 -0.0787 0.1952 391 PHE C CE1 4638 C CE2 . PHE B 258 ? 0.6847 0.4841 0.6494 -0.1698 -0.0995 0.1659 391 PHE C CE2 4639 C CZ . PHE B 258 ? 0.6189 0.4546 0.5994 -0.1672 -0.0896 0.1781 391 PHE C CZ 4640 N N . ASN B 259 ? 0.8071 0.5250 0.7904 -0.1873 -0.0514 0.2199 392 ASN C N 4641 C CA . ASN B 259 ? 0.8699 0.5597 0.8581 -0.1973 -0.0452 0.2283 392 ASN C CA 4642 C C . ASN B 259 ? 0.9076 0.6201 0.9216 -0.2088 -0.0299 0.2471 392 ASN C C 4643 O O . ASN B 259 ? 0.7232 0.4499 0.7290 -0.1970 -0.0132 0.2599 392 ASN C O 4644 C CB . ASN B 259 ? 0.9653 0.6213 0.9214 -0.1791 -0.0367 0.2311 392 ASN C CB 4645 C CG . ASN B 259 ? 1.0966 0.7138 1.0529 -0.1884 -0.0334 0.2363 392 ASN C CG 4646 O OD1 . ASN B 259 ? 1.0816 0.7007 1.0592 -0.2049 -0.0250 0.2480 392 ASN C OD1 4647 N ND2 . ASN B 259 ? 1.3957 0.9775 1.3291 -0.1777 -0.0394 0.2275 392 ASN C ND2 4648 N N . ASN B 260 ? 0.7469 0.4627 0.7913 -0.2316 -0.0357 0.2480 393 ASN C N 4649 C CA . ASN B 260 ? 0.7570 0.4998 0.8329 -0.2453 -0.0226 0.2646 393 ASN C CA 4650 C C . ASN B 260 ? 0.8681 0.5918 0.9319 -0.2415 0.0004 0.2824 393 ASN C C 4651 O O . ASN B 260 ? 0.8405 0.5900 0.9191 -0.2441 0.0164 0.2977 393 ASN C O 4652 C CB . ASN B 260 ? 0.7746 0.5222 0.8861 -0.2715 -0.0356 0.2598 393 ASN C CB 4653 C CG . ASN B 260 ? 0.8343 0.6021 0.9561 -0.2753 -0.0585 0.2434 393 ASN C CG 4654 O OD1 . ASN B 260 ? 0.7773 0.5875 0.9191 -0.2751 -0.0598 0.2468 393 ASN C OD1 4655 N ND2 . ASN B 260 ? 0.7849 0.5211 0.8909 -0.2776 -0.0761 0.2257 393 ASN C ND2 4656 N N . THR B 261 ? 0.8974 0.5752 0.9329 -0.2342 0.0023 0.2808 394 THR C N 4657 C CA . THR B 261 ? 0.9175 0.5696 0.9352 -0.2295 0.0234 0.2979 394 THR C CA 4658 C C . THR B 261 ? 0.9340 0.5945 0.9197 -0.2044 0.0364 0.3057 394 THR C C 4659 O O . THR B 261 ? 0.9986 0.6579 0.9741 -0.2017 0.0553 0.3222 394 THR C O 4660 C CB . THR B 261 ? 0.9442 0.5421 0.9422 -0.2287 0.0212 0.2946 394 THR C CB 4661 O OG1 . THR B 261 ? 1.0210 0.6050 0.9915 -0.2081 0.0097 0.2812 394 THR C OG1 4662 C CG2 . THR B 261 ? 0.9315 0.5175 0.9582 -0.2543 0.0085 0.2857 394 THR C CG2 4663 N N . CYS B 262 ? 0.8160 0.4840 0.7841 -0.1865 0.0257 0.2929 395 CYS C N 4664 C CA . CYS B 262 ? 0.9115 0.5866 0.8478 -0.1621 0.0350 0.2969 395 CYS C CA 4665 C C . CYS B 262 ? 0.9893 0.7100 0.9388 -0.1614 0.0428 0.3023 395 CYS C C 4666 O O . CYS B 262 ? 0.9899 0.7167 0.9146 -0.1455 0.0546 0.3094 395 CYS C O 4667 C CB . CYS B 262 ? 0.8199 0.4880 0.7355 -0.1442 0.0208 0.2807 395 CYS C CB 4668 S SG . CYS B 262 ? 1.0726 0.6893 0.9670 -0.1362 0.0145 0.2763 395 CYS C SG 4669 N N . ILE B 263 ? 1.0677 0.8202 1.0554 -0.1780 0.0350 0.2985 396 ILE C N 4670 C CA . ILE B 263 ? 1.0450 0.8436 1.0512 -0.1770 0.0419 0.3037 396 ILE C CA 4671 C C . ILE B 263 ? 0.9435 0.7512 0.9550 -0.1807 0.0632 0.3231 396 ILE C C 4672 O O . ILE B 263 ? 0.9428 0.7477 0.9801 -0.2003 0.0678 0.3320 396 ILE C O 4673 C CB . ILE B 263 ? 1.0749 0.9046 1.1228 -0.1944 0.0277 0.2970 396 ILE C CB 4674 C CG1 . ILE B 263 ? 1.0843 0.9065 1.1222 -0.1897 0.0068 0.2776 396 ILE C CG1 4675 C CG2 . ILE B 263 ? 1.0390 0.9172 1.1092 -0.1921 0.0370 0.3051 396 ILE C CG2 4676 C CD1 . ILE B 263 ? 1.0676 0.9121 1.1395 -0.2071 -0.0104 0.2698 396 ILE C CD1 4677 N N . ASN B 272 ? 0.9698 0.5851 0.7313 -0.0323 0.0414 0.2962 411 ASN C N 4678 C CA . ASN B 272 ? 0.9159 0.5408 0.6378 -0.0276 0.0348 0.2878 411 ASN C CA 4679 C C . ASN B 272 ? 0.9089 0.6143 0.6930 -0.0031 0.0232 0.2964 411 ASN C C 4680 O O . ASN B 272 ? 0.9530 0.6563 0.6946 -0.0220 -0.0075 0.2825 411 ASN C O 4681 C CB . ASN B 272 ? 1.0230 0.6446 0.7253 -0.0432 0.0219 0.3077 411 ASN C CB 4682 C CG . ASN B 272 ? 1.0604 0.6899 0.7740 -0.0349 0.0035 0.3239 411 ASN C CG 4683 O OD1 . ASN B 272 ? 1.1826 0.8236 0.8779 -0.0180 0.0052 0.3323 411 ASN C OD1 4684 N ND2 . ASN B 272 ? 0.9985 0.6270 0.7512 -0.0358 -0.0017 0.3320 411 ASN C ND2 4685 N N . GLY B 273 ? 0.9019 0.5803 0.6802 -0.0013 0.0100 0.2905 412 GLY C N 4686 C CA . GLY B 273 ? 0.8170 0.4993 0.5789 0.0105 -0.0087 0.2783 412 GLY C CA 4687 C C . GLY B 273 ? 0.8855 0.5749 0.6508 0.0082 -0.0128 0.2553 412 GLY C C 4688 O O . GLY B 273 ? 0.7908 0.4882 0.5669 -0.0031 -0.0043 0.2521 412 GLY C O 4689 N N . THR B 274 ? 0.6994 0.3827 0.4523 0.0178 -0.0273 0.2373 413 THR C N 4690 C CA . THR B 274 ? 0.6648 0.3558 0.4210 0.0137 -0.0353 0.2157 413 THR C CA 4691 C C . THR B 274 ? 0.7186 0.3863 0.4885 -0.0033 -0.0391 0.2079 413 THR C C 4692 O O . THR B 274 ? 0.7965 0.4343 0.5637 -0.0035 -0.0435 0.2076 413 THR C O 4693 C CB . THR B 274 ? 0.7918 0.4830 0.5308 0.0306 -0.0482 0.1991 413 THR C CB 4694 O OG1 . THR B 274 ? 0.7949 0.5087 0.5203 0.0447 -0.0474 0.2027 413 THR C OG1 4695 C CG2 . THR B 274 ? 0.7242 0.4230 0.4678 0.0254 -0.0555 0.1786 413 THR C CG2 4696 N N . ILE B 275 ? 0.6899 0.3721 0.4743 -0.0180 -0.0386 0.2011 414 ILE C N 4697 C CA . ILE B 275 ? 0.7981 0.4644 0.5960 -0.0355 -0.0461 0.1911 414 ILE C CA 4698 C C . ILE B 275 ? 0.7683 0.4298 0.5578 -0.0305 -0.0590 0.1701 414 ILE C C 4699 O O . ILE B 275 ? 0.7254 0.4087 0.5119 -0.0259 -0.0607 0.1615 414 ILE C O 4700 C CB . ILE B 275 ? 0.7365 0.4238 0.5554 -0.0533 -0.0417 0.1935 414 ILE C CB 4701 C CG1 . ILE B 275 ? 0.8283 0.5207 0.6549 -0.0577 -0.0265 0.2138 414 ILE C CG1 4702 C CG2 . ILE B 275 ? 0.7879 0.4608 0.6204 -0.0712 -0.0524 0.1826 414 ILE C CG2 4703 C CD1 . ILE B 275 ? 0.8264 0.5430 0.6750 -0.0739 -0.0220 0.2169 414 ILE C CD1 4704 N N . THR B 276 ? 0.6874 0.3187 0.4720 -0.0306 -0.0670 0.1619 415 THR C N 4705 C CA . THR B 276 ? 0.6395 0.2623 0.4143 -0.0241 -0.0773 0.1423 415 THR C CA 4706 C C . THR B 276 ? 0.6400 0.2499 0.4234 -0.0404 -0.0841 0.1304 415 THR C C 4707 O O . THR B 276 ? 0.7155 0.2999 0.5013 -0.0479 -0.0867 0.1307 415 THR C O 4708 C CB . THR B 276 ? 0.6848 0.2836 0.4431 -0.0059 -0.0813 0.1391 415 THR C CB 4709 O OG1 . THR B 276 ? 0.7023 0.3157 0.4511 0.0107 -0.0772 0.1491 415 THR C OG1 4710 C CG2 . THR B 276 ? 0.7094 0.3008 0.4588 0.0024 -0.0900 0.1189 415 THR C CG2 4711 N N . LEU B 277 ? 0.6153 0.2425 0.4018 -0.0453 -0.0872 0.1198 416 LEU C N 4712 C CA . LEU B 277 ? 0.6297 0.2477 0.4212 -0.0588 -0.0946 0.1076 416 LEU C CA 4713 C C . LEU B 277 ? 0.6814 0.2802 0.4566 -0.0482 -0.1007 0.0895 416 LEU C C 4714 O O . LEU B 277 ? 0.6473 0.2550 0.4133 -0.0354 -0.0997 0.0832 416 LEU C O 4715 C CB . LEU B 277 ? 0.6055 0.2522 0.4086 -0.0691 -0.0939 0.1073 416 LEU C CB 4716 C CG . LEU B 277 ? 0.6601 0.3325 0.4809 -0.0774 -0.0859 0.1244 416 LEU C CG 4717 C CD1 . LEU B 277 ? 0.6195 0.3180 0.4506 -0.0856 -0.0865 0.1219 416 LEU C CD1 4718 C CD2 . LEU B 277 ? 0.7277 0.3869 0.5620 -0.0905 -0.0857 0.1346 416 LEU C CD2 4719 N N . PRO B 278 ? 0.7114 0.2836 0.4827 -0.0529 -0.1065 0.0806 417 PRO C N 4720 C CA . PRO B 278 ? 0.6741 0.2291 0.4302 -0.0423 -0.1102 0.0625 417 PRO C CA 4721 C C . PRO B 278 ? 0.6939 0.2631 0.4490 -0.0475 -0.1119 0.0505 417 PRO C C 4722 O O . PRO B 278 ? 0.6428 0.2214 0.4070 -0.0630 -0.1152 0.0517 417 PRO C O 4723 C CB . PRO B 278 ? 0.6906 0.2160 0.4435 -0.0480 -0.1149 0.0581 417 PRO C CB 4724 C CG . PRO B 278 ? 0.7331 0.2653 0.5028 -0.0679 -0.1164 0.0694 417 PRO C CG 4725 C CD . PRO B 278 ? 0.7801 0.3374 0.5611 -0.0675 -0.1089 0.0866 417 PRO C CD 4726 N N . CYS B 279 ? 0.6418 0.2128 0.3866 -0.0341 -0.1094 0.0393 418 CYS C N 4727 C CA . CYS B 279 ? 0.6007 0.1840 0.3431 -0.0374 -0.1082 0.0280 418 CYS C CA 4728 C C . CYS B 279 ? 0.6682 0.2376 0.3973 -0.0261 -0.1064 0.0096 418 CYS C C 4729 O O . CYS B 279 ? 0.6473 0.2006 0.3704 -0.0126 -0.1057 0.0057 418 CYS C O 4730 C CB . CYS B 279 ? 0.6775 0.2981 0.4297 -0.0327 -0.1005 0.0311 418 CYS C CB 4731 S SG . CYS B 279 ? 0.7374 0.3809 0.5042 -0.0434 -0.0990 0.0522 418 CYS C SG 4732 N N . LYS B 280 ? 0.6743 0.2524 0.3994 -0.0302 -0.1045 -0.0009 419 LYS C N 4733 C CA . LYS B 280 ? 0.6541 0.2278 0.3686 -0.0188 -0.0986 -0.0171 419 LYS C CA 4734 C C . LYS B 280 ? 0.6661 0.2612 0.3804 -0.0198 -0.0911 -0.0240 419 LYS C C 4735 O O . LYS B 280 ? 0.6041 0.2109 0.3213 -0.0315 -0.0935 -0.0187 419 LYS C O 4736 C CB . LYS B 280 ? 0.7462 0.3008 0.4505 -0.0209 -0.1028 -0.0234 419 LYS C CB 4737 C CG . LYS B 280 ? 0.8173 0.3753 0.5208 -0.0364 -0.1098 -0.0210 419 LYS C CG 4738 C CD . LYS B 280 ? 0.9641 0.4991 0.6553 -0.0374 -0.1153 -0.0282 419 LYS C CD 4739 C CE . LYS B 280 ? 0.8777 0.4150 0.5681 -0.0520 -0.1250 -0.0265 419 LYS C CE 4740 N NZ . LYS B 280 ? 0.9200 0.4326 0.5971 -0.0533 -0.1318 -0.0343 419 LYS C NZ 4741 N N . ILE B 281 ? 0.5552 0.1569 0.2678 -0.0071 -0.0813 -0.0354 420 ILE C N 4742 C CA . ILE B 281 ? 0.5357 0.1577 0.2488 -0.0076 -0.0711 -0.0423 420 ILE C CA 4743 C C . ILE B 281 ? 0.6196 0.2344 0.3212 -0.0061 -0.0672 -0.0497 420 ILE C C 4744 O O . ILE B 281 ? 0.5835 0.1862 0.2799 0.0040 -0.0639 -0.0574 420 ILE C O 4745 C CB . ILE B 281 ? 0.5186 0.1626 0.2441 0.0042 -0.0599 -0.0494 420 ILE C CB 4746 C CG1 . ILE B 281 ? 0.5339 0.2029 0.2786 0.0049 -0.0625 -0.0389 420 ILE C CG1 4747 C CG2 . ILE B 281 ? 0.5039 0.1638 0.2288 0.0020 -0.0478 -0.0565 420 ILE C CG2 4748 C CD1 . ILE B 281 ? 0.5916 0.2895 0.3533 0.0154 -0.0540 -0.0458 420 ILE C CD1 4749 N N . LYS B 282 ? 0.5571 0.1777 0.2532 -0.0149 -0.0679 -0.0473 421 LYS C N 4750 C CA . LYS B 282 ? 0.5683 0.1786 0.2491 -0.0136 -0.0663 -0.0531 421 LYS C CA 4751 C C . LYS B 282 ? 0.5729 0.1966 0.2503 -0.0092 -0.0516 -0.0587 421 LYS C C 4752 O O . LYS B 282 ? 0.6004 0.2409 0.2844 -0.0133 -0.0468 -0.0550 421 LYS C O 4753 C CB . LYS B 282 ? 0.6069 0.2087 0.2803 -0.0254 -0.0799 -0.0468 421 LYS C CB 4754 C CG . LYS B 282 ? 0.6457 0.2296 0.3206 -0.0307 -0.0932 -0.0431 421 LYS C CG 4755 C CD . LYS B 282 ? 0.6555 0.2345 0.3270 -0.0436 -0.1070 -0.0382 421 LYS C CD 4756 C CE . LYS B 282 ? 0.6777 0.2490 0.3297 -0.0411 -0.1069 -0.0456 421 LYS C CE 4757 N NZ . LYS B 282 ? 0.7398 0.2920 0.3773 -0.0307 -0.1020 -0.0561 421 LYS C NZ 4758 N N . GLN B 283 ? 0.6149 0.2293 0.2811 -0.0008 -0.0438 -0.0674 422 GLN C N 4759 C CA . GLN B 283 ? 0.6312 0.2546 0.2921 0.0031 -0.0288 -0.0720 422 GLN C CA 4760 C C . GLN B 283 ? 0.6227 0.2375 0.2642 -0.0024 -0.0333 -0.0684 422 GLN C C 4761 O O . GLN B 283 ? 0.6558 0.2797 0.2942 -0.0039 -0.0249 -0.0662 422 GLN C O 4762 C CB . GLN B 283 ? 0.6531 0.2700 0.3096 0.0151 -0.0173 -0.0825 422 GLN C CB 4763 C CG . GLN B 283 ? 0.6452 0.2714 0.3208 0.0233 -0.0119 -0.0876 422 GLN C CG 4764 C CD . GLN B 283 ? 0.8147 0.4350 0.4868 0.0365 -0.0003 -0.0983 422 GLN C CD 4765 O OE1 . GLN B 283 ? 0.9034 0.5139 0.5784 0.0453 -0.0037 -0.1021 422 GLN C OE1 4766 N NE2 . GLN B 283 ? 0.7698 0.3950 0.4348 0.0388 0.0143 -0.1025 422 GLN C NE2 4767 N N . ILE B 284 ? 0.6450 0.2406 0.2728 -0.0051 -0.0470 -0.0683 423 ILE C N 4768 C CA . ILE B 284 ? 0.7119 0.2972 0.3199 -0.0093 -0.0546 -0.0662 423 ILE C CA 4769 C C . ILE B 284 ? 0.6703 0.2603 0.2857 -0.0211 -0.0703 -0.0571 423 ILE C C 4770 O O . ILE B 284 ? 0.6874 0.2721 0.3115 -0.0270 -0.0827 -0.0547 423 ILE C O 4771 C CB . ILE B 284 ? 0.7223 0.2830 0.3094 -0.0054 -0.0611 -0.0734 423 ILE C CB 4772 C CG1 . ILE B 284 ? 0.7759 0.3321 0.3565 0.0071 -0.0449 -0.0826 423 ILE C CG1 4773 C CG2 . ILE B 284 ? 0.7476 0.2974 0.3123 -0.0087 -0.0699 -0.0725 423 ILE C CG2 4774 C CD1 . ILE B 284 ? 0.8709 0.4013 0.4302 0.0125 -0.0499 -0.0906 423 ILE C CD1 4775 N N . ILE B 285 ? 0.6400 0.2395 0.2525 -0.0245 -0.0691 -0.0518 424 ILE C N 4776 C CA . ILE B 285 ? 0.6771 0.2846 0.2990 -0.0350 -0.0825 -0.0430 424 ILE C CA 4777 C C . ILE B 285 ? 0.7039 0.3062 0.3089 -0.0375 -0.0909 -0.0409 424 ILE C C 4778 O O . ILE B 285 ? 0.6657 0.2602 0.2511 -0.0302 -0.0828 -0.0447 424 ILE C O 4779 C CB . ILE B 285 ? 0.5879 0.2161 0.2271 -0.0368 -0.0738 -0.0373 424 ILE C CB 4780 C CG1 . ILE B 285 ? 0.6469 0.2806 0.2768 -0.0311 -0.0583 -0.0382 424 ILE C CG1 4781 C CG2 . ILE B 285 ? 0.6117 0.2464 0.2680 -0.0338 -0.0672 -0.0395 424 ILE C CG2 4782 C CD1 . ILE B 285 ? 0.6547 0.3062 0.2982 -0.0337 -0.0510 -0.0329 424 ILE C CD1 4783 N N . ASN B 286 ? 0.6857 0.2929 0.2992 -0.0476 -0.1074 -0.0346 425 ASN C N 4784 C CA . ASN B 286 ? 0.7162 0.3252 0.3193 -0.0499 -0.1166 -0.0314 425 ASN C CA 4785 C C . ASN B 286 ? 0.7074 0.3345 0.3185 -0.0499 -0.1084 -0.0241 425 ASN C C 4786 O O . ASN B 286 ? 0.6552 0.2963 0.2862 -0.0560 -0.1092 -0.0183 425 ASN C O 4787 C CB . ASN B 286 ? 0.6350 0.2444 0.2474 -0.0616 -0.1392 -0.0286 425 ASN C CB 4788 C CG . ASN B 286 ? 0.7055 0.2943 0.3066 -0.0618 -0.1481 -0.0369 425 ASN C CG 4789 O OD1 . ASN B 286 ? 0.6963 0.2700 0.2730 -0.0530 -0.1440 -0.0443 425 ASN C OD1 4790 N ND2 . ASN B 286 ? 0.7677 0.3545 0.3854 -0.0719 -0.1597 -0.0354 425 ASN C ND2 4791 N N . MET B 287 ? 0.6827 0.3081 0.2769 -0.0423 -0.0998 -0.0241 426 MET C N 4792 C CA . MET B 287 ? 0.7344 0.3744 0.3338 -0.0405 -0.0898 -0.0175 426 MET C CA 4793 C C . MET B 287 ? 0.6726 0.3295 0.2838 -0.0473 -0.1056 -0.0086 426 MET C C 4794 O O . MET B 287 ? 0.7865 0.4427 0.3916 -0.0486 -0.1209 -0.0077 426 MET C O 4795 C CB . MET B 287 ? 0.6478 0.2791 0.2259 -0.0303 -0.0754 -0.0189 426 MET C CB 4796 C CG . MET B 287 ? 0.7442 0.3643 0.3145 -0.0239 -0.0575 -0.0260 426 MET C CG 4797 S SD . MET B 287 ? 0.9575 0.5672 0.5051 -0.0138 -0.0385 -0.0252 426 MET C SD 4798 C CE . MET B 287 ? 1.4863 1.1129 1.0499 -0.0156 -0.0282 -0.0172 426 MET C CE 4799 N N . TRP B 288 ? 0.6066 0.2815 0.2361 -0.0510 -0.1019 -0.0016 427 TRP C N 4800 C CA . TRP B 288 ? 0.6455 0.3425 0.2912 -0.0565 -0.1148 0.0097 427 TRP C CA 4801 C C . TRP B 288 ? 0.6628 0.3678 0.3006 -0.0480 -0.1133 0.0151 427 TRP C C 4802 O O . TRP B 288 ? 0.6553 0.3784 0.3050 -0.0503 -0.1275 0.0234 427 TRP C O 4803 C CB . TRP B 288 ? 0.5516 0.2701 0.2246 -0.0593 -0.1064 0.0177 427 TRP C CB 4804 C CG . TRP B 288 ? 0.5660 0.2884 0.2370 -0.0509 -0.0849 0.0180 427 TRP C CG 4805 C CD1 . TRP B 288 ? 0.5749 0.2897 0.2445 -0.0484 -0.0698 0.0102 427 TRP C CD1 4806 C CD2 . TRP B 288 ? 0.5448 0.2798 0.2170 -0.0442 -0.0767 0.0259 427 TRP C CD2 4807 N NE1 . TRP B 288 ? 0.5524 0.2740 0.2228 -0.0425 -0.0532 0.0121 427 TRP C NE1 4808 C CE2 . TRP B 288 ? 0.5590 0.2907 0.2294 -0.0395 -0.0565 0.0217 427 TRP C CE2 4809 C CE3 . TRP B 288 ? 0.5593 0.3082 0.2349 -0.0411 -0.0848 0.0359 427 TRP C CE3 4810 C CZ2 . TRP B 288 ? 0.5277 0.2663 0.1996 -0.0327 -0.0435 0.0263 427 TRP C CZ2 4811 C CZ3 . TRP B 288 ? 0.5460 0.3037 0.2243 -0.0319 -0.0706 0.0409 427 TRP C CZ3 4812 C CH2 . TRP B 288 ? 0.5265 0.2774 0.2027 -0.0282 -0.0501 0.0358 427 TRP C CH2 4813 N N . GLN B 289 ? 0.6104 0.3029 0.2300 -0.0379 -0.0960 0.0109 428 GLN C N 4814 C CA . GLN B 289 ? 0.6996 0.3946 0.3081 -0.0283 -0.0928 0.0155 428 GLN C CA 4815 C C . GLN B 289 ? 0.9028 0.5924 0.4978 -0.0273 -0.1115 0.0134 428 GLN C C 4816 O O . GLN B 289 ? 0.9534 0.6513 0.5432 -0.0202 -0.1163 0.0192 428 GLN C O 4817 C CB . GLN B 289 ? 0.7508 0.4294 0.3423 -0.0196 -0.0698 0.0112 428 GLN C CB 4818 C CG . GLN B 289 ? 0.6868 0.3710 0.2922 -0.0207 -0.0512 0.0114 428 GLN C CG 4819 C CD . GLN B 289 ? 0.7049 0.3802 0.3127 -0.0261 -0.0459 0.0026 428 GLN C CD 4820 O OE1 . GLN B 289 ? 0.6536 0.3275 0.2651 -0.0322 -0.0598 -0.0004 428 GLN C OE1 4821 N NE2 . GLN B 289 ? 0.7142 0.3845 0.3222 -0.0237 -0.0259 -0.0017 428 GLN C NE2 4822 N N . GLY B 290 ? 0.8293 0.5050 0.4189 -0.0337 -0.1219 0.0050 429 GLY C N 4823 C CA . GLY B 290 ? 0.8933 0.5625 0.4708 -0.0340 -0.1406 0.0010 429 GLY C CA 4824 C C . GLY B 290 ? 1.1041 0.7513 0.6489 -0.0224 -0.1316 -0.0049 429 GLY C C 4825 O O . GLY B 290 ? 1.2628 0.9087 0.7929 -0.0177 -0.1437 -0.0052 429 GLY C O 4826 N N . THR B 291 ? 1.1347 0.7658 0.6686 -0.0178 -0.1105 -0.0091 430 THR C N 4827 C CA . THR B 291 ? 1.1780 0.7884 0.6822 -0.0070 -0.0985 -0.0130 430 THR C CA 4828 C C . THR B 291 ? 1.2110 0.8004 0.6998 -0.0070 -0.0996 -0.0231 430 THR C C 4829 O O . THR B 291 ? 1.3793 0.9519 0.8406 0.0008 -0.0990 -0.0269 430 THR C O 4830 C CB . THR B 291 ? 1.4034 1.0111 0.9065 -0.0012 -0.0720 -0.0097 430 THR C CB 4831 O OG1 . THR B 291 ? 1.4386 1.0500 0.9605 -0.0074 -0.0614 -0.0126 430 THR C OG1 4832 C CG2 . THR B 291 ? 1.3460 0.9705 0.8590 0.0020 -0.0696 0.0003 430 THR C CG2 4833 N N . GLY B 292 ? 1.0823 0.6730 0.5883 -0.0148 -0.1009 -0.0270 431 GLY C N 4834 C CA . GLY B 292 ? 0.9114 0.4841 0.4059 -0.0141 -0.1023 -0.0362 431 GLY C CA 4835 C C . GLY B 292 ? 0.8620 0.4383 0.3777 -0.0196 -0.0969 -0.0388 431 GLY C C 4836 O O . GLY B 292 ? 0.7609 0.3521 0.3013 -0.0283 -0.1036 -0.0345 431 GLY C O 4837 N N . GLN B 293 ? 0.7361 0.2994 0.2417 -0.0137 -0.0848 -0.0456 432 GLN C N 4838 C CA . GLN B 293 ? 0.7379 0.3059 0.2628 -0.0160 -0.0780 -0.0486 432 GLN C CA 4839 C C . GLN B 293 ? 0.7931 0.3662 0.3209 -0.0092 -0.0534 -0.0494 432 GLN C C 4840 O O . GLN B 293 ? 0.7817 0.3477 0.2912 -0.0022 -0.0409 -0.0493 432 GLN C O 4841 C CB . GLN B 293 ? 0.8368 0.3880 0.3527 -0.0153 -0.0869 -0.0570 432 GLN C CB 4842 C CG . GLN B 293 ? 0.9922 0.5406 0.5146 -0.0253 -0.1110 -0.0568 432 GLN C CG 4843 C CD . GLN B 293 ? 1.1176 0.6592 0.6206 -0.0257 -0.1256 -0.0572 432 GLN C CD 4844 O OE1 . GLN B 293 ? 1.2598 0.7870 0.7350 -0.0167 -0.1209 -0.0618 432 GLN C OE1 4845 N NE2 . GLN B 293 ? 1.0632 0.6167 0.5815 -0.0360 -0.1438 -0.0523 432 GLN C NE2 4846 N N . ALA B 294 ? 0.7130 0.2989 0.2646 -0.0114 -0.0467 -0.0502 433 ALA C N 4847 C CA . ALA B 294 ? 0.6960 0.2911 0.2564 -0.0064 -0.0248 -0.0523 433 ALA C CA 4848 C C . ALA B 294 ? 0.7105 0.3102 0.2876 -0.0046 -0.0218 -0.0587 433 ALA C C 4849 O O . ALA B 294 ? 0.7220 0.3229 0.3110 -0.0093 -0.0352 -0.0583 433 ALA C O 4850 C CB . ALA B 294 ? 0.6821 0.2944 0.2583 -0.0105 -0.0172 -0.0456 433 ALA C CB 4851 N N . MET B 295 ? 0.6655 0.2674 0.2438 0.0024 -0.0040 -0.0645 434 MET C N 4852 C CA . MET B 295 ? 0.7029 0.3108 0.2983 0.0062 0.0000 -0.0714 434 MET C CA 4853 C C . MET B 295 ? 0.6924 0.3213 0.3104 0.0073 0.0171 -0.0731 434 MET C C 4854 O O . MET B 295 ? 0.7109 0.3432 0.3249 0.0091 0.0333 -0.0731 434 MET C O 4855 C CB . MET B 295 ? 0.7673 0.3576 0.3448 0.0151 0.0035 -0.0798 434 MET C CB 4856 C CG . MET B 295 ? 0.7219 0.3158 0.3155 0.0211 0.0069 -0.0873 434 MET C CG 4857 S SD . MET B 295 ? 0.8551 0.4250 0.4255 0.0323 0.0094 -0.0973 434 MET C SD 4858 C CE . MET B 295 ? 0.9514 0.5250 0.5100 0.0394 0.0337 -0.0999 434 MET C CE 4859 N N . TYR B 296 ? 0.6228 0.2646 0.2642 0.0061 0.0133 -0.0745 435 TYR C N 4860 C CA . TYR B 296 ? 0.6972 0.3600 0.3621 0.0067 0.0266 -0.0778 435 TYR C CA 4861 C C . TYR B 296 ? 0.6777 0.3434 0.3544 0.0158 0.0318 -0.0877 435 TYR C C 4862 O O . TYR B 296 ? 0.6812 0.3314 0.3482 0.0211 0.0239 -0.0906 435 TYR C O 4863 C CB . TYR B 296 ? 0.6493 0.3258 0.3309 -0.0008 0.0181 -0.0718 435 TYR C CB 4864 C CG . TYR B 296 ? 0.6001 0.2766 0.2731 -0.0082 0.0158 -0.0627 435 TYR C CG 4865 C CD1 . TYR B 296 ? 0.5666 0.2295 0.2232 -0.0118 0.0007 -0.0562 435 TYR C CD1 4866 C CD2 . TYR B 296 ? 0.5835 0.2724 0.2647 -0.0113 0.0287 -0.0612 435 TYR C CD2 4867 C CE1 . TYR B 296 ? 0.5259 0.1882 0.1740 -0.0167 -0.0018 -0.0485 435 TYR C CE1 4868 C CE2 . TYR B 296 ? 0.6236 0.3096 0.2951 -0.0163 0.0272 -0.0529 435 TYR C CE2 4869 C CZ . TYR B 296 ? 0.6175 0.2906 0.2721 -0.0181 0.0118 -0.0466 435 TYR C CZ 4870 O OH . TYR B 296 ? 0.6209 0.2909 0.2654 -0.0213 0.0098 -0.0390 435 TYR C OH 4871 N N . ALA B 297 ? 0.6144 0.2991 0.3121 0.0179 0.0451 -0.0932 436 ALA C N 4872 C CA . ALA B 297 ? 0.6732 0.3637 0.3851 0.0282 0.0506 -0.1034 436 ALA C CA 4873 C C . ALA B 297 ? 0.6433 0.3320 0.3641 0.0298 0.0342 -0.1024 436 ALA C C 4874 O O . ALA B 297 ? 0.5868 0.2767 0.3085 0.0213 0.0223 -0.0943 436 ALA C O 4875 C CB . ALA B 297 ? 0.7061 0.4196 0.4401 0.0290 0.0693 -0.1102 436 ALA C CB 4876 N N . PRO B 298 ? 0.5669 0.2513 0.2929 0.0419 0.0341 -0.1098 437 PRO C N 4877 C CA . PRO B 298 ? 0.6429 0.3234 0.3762 0.0464 0.0198 -0.1084 437 PRO C CA 4878 C C . PRO B 298 ? 0.6466 0.3471 0.3976 0.0427 0.0182 -0.1077 437 PRO C C 4879 O O . PRO B 298 ? 0.6088 0.3326 0.3753 0.0390 0.0314 -0.1113 437 PRO C O 4880 C CB . PRO B 298 ? 0.6639 0.3418 0.4031 0.0636 0.0264 -0.1184 437 PRO C CB 4881 C CG . PRO B 298 ? 0.7679 0.4358 0.4920 0.0653 0.0369 -0.1217 437 PRO C CG 4882 C CD . PRO B 298 ? 0.5796 0.2585 0.3009 0.0536 0.0463 -0.1184 437 PRO C CD 4883 N N . PRO B 299 ? 0.6053 0.3065 0.3623 0.0419 0.0020 -0.0998 438 PRO C N 4884 C CA . PRO B 299 ? 0.5399 0.2720 0.3205 0.0364 -0.0023 -0.0939 438 PRO C CA 4885 C C . PRO B 299 ? 0.5372 0.3047 0.3488 0.0434 0.0066 -0.1022 438 PRO C C 4886 O O . PRO B 299 ? 0.5236 0.2944 0.3436 0.0560 0.0123 -0.1104 438 PRO C O 4887 C CB . PRO B 299 ? 0.6373 0.3594 0.4158 0.0394 -0.0194 -0.0845 438 PRO C CB 4888 C CG . PRO B 299 ? 0.6194 0.3020 0.3704 0.0383 -0.0255 -0.0829 438 PRO C CG 4889 C CD . PRO B 299 ? 0.6351 0.3062 0.3754 0.0456 -0.0126 -0.0953 438 PRO C CD 4890 N N . ILE B 300 ? 0.5217 0.3160 0.3510 0.0353 0.0075 -0.1007 439 ILE C N 4891 C CA . ILE B 300 ? 0.5428 0.3737 0.4045 0.0392 0.0128 -0.1091 439 ILE C CA 4892 C C . ILE B 300 ? 0.5313 0.3742 0.4067 0.0537 0.0004 -0.1092 439 ILE C C 4893 O O . ILE B 300 ? 0.5148 0.3375 0.3742 0.0583 -0.0124 -0.1003 439 ILE C O 4894 C CB . ILE B 300 ? 0.5249 0.3769 0.3985 0.0270 0.0128 -0.1075 439 ILE C CB 4895 C CG1 . ILE B 300 ? 0.5343 0.3785 0.3951 0.0241 -0.0027 -0.0953 439 ILE C CG1 4896 C CG2 . ILE B 300 ? 0.5739 0.4170 0.4380 0.0148 0.0278 -0.1086 439 ILE C CG2 4897 C CD1 . ILE B 300 ? 0.6069 0.4671 0.4740 0.0136 -0.0024 -0.0935 439 ILE C CD1 4898 N N . ASP B 301 ? 0.5431 0.4193 0.4491 0.0608 0.0041 -0.1189 440 ASP C N 4899 C CA . ASP B 301 ? 0.5431 0.4350 0.4639 0.0767 -0.0084 -0.1194 440 ASP C CA 4900 C C . ASP B 301 ? 0.5069 0.4128 0.4302 0.0740 -0.0234 -0.1125 440 ASP C C 4901 O O . ASP B 301 ? 0.5059 0.4199 0.4295 0.0601 -0.0218 -0.1116 440 ASP C O 4902 C CB . ASP B 301 ? 0.6545 0.5824 0.6110 0.0857 -0.0002 -0.1327 440 ASP C CB 4903 C CG . ASP B 301 ? 0.8493 0.7637 0.8026 0.0940 0.0148 -0.1389 440 ASP C CG 4904 O OD1 . ASP B 301 ? 0.7718 0.6480 0.6951 0.0997 0.0127 -0.1336 440 ASP C OD1 4905 O OD2 . ASP B 301 ? 0.9581 0.8996 0.9390 0.0946 0.0292 -0.1495 440 ASP C OD2 4906 N N . GLY B 302 ? 0.5312 0.4376 0.4535 0.0887 -0.0375 -0.1074 441 GLY C N 4907 C CA . GLY B 302 ? 0.5655 0.4867 0.4885 0.0898 -0.0516 -0.1013 441 GLY C CA 4908 C C . GLY B 302 ? 0.5203 0.4128 0.4140 0.0830 -0.0584 -0.0855 441 GLY C C 4909 O O . GLY B 302 ? 0.4788 0.3391 0.3525 0.0770 -0.0545 -0.0790 441 GLY C O 4910 N N . LYS B 303 ? 0.4428 0.3485 0.3346 0.0840 -0.0687 -0.0797 442 LYS C N 4911 C CA . LYS B 303 ? 0.4662 0.3502 0.3335 0.0784 -0.0741 -0.0636 442 LYS C CA 4912 C C . LYS B 303 ? 0.4216 0.2995 0.2818 0.0597 -0.0653 -0.0617 442 LYS C C 4913 O O . LYS B 303 ? 0.4389 0.3381 0.3106 0.0522 -0.0606 -0.0700 442 LYS C O 4914 C CB . LYS B 303 ? 0.4929 0.3943 0.3583 0.0875 -0.0862 -0.0585 442 LYS C CB 4915 C CG . LYS B 303 ? 0.5096 0.3972 0.3532 0.0806 -0.0887 -0.0429 442 LYS C CG 4916 C CD . LYS B 303 ? 0.5919 0.4946 0.4294 0.0932 -0.1003 -0.0380 442 LYS C CD 4917 C CE . LYS B 303 ? 0.6714 0.5732 0.4927 0.0850 -0.0993 -0.0280 442 LYS C CE 4918 N NZ . LYS B 303 ? 0.7425 0.6542 0.5510 0.0991 -0.1103 -0.0217 442 LYS C NZ 4919 N N . ILE B 304 ? 0.4544 0.3024 0.2962 0.0524 -0.0636 -0.0511 443 ILE C N 4920 C CA . ILE B 304 ? 0.4289 0.2702 0.2628 0.0367 -0.0570 -0.0472 443 ILE C CA 4921 C C . ILE B 304 ? 0.4866 0.3192 0.3066 0.0333 -0.0631 -0.0307 443 ILE C C 4922 O O . ILE B 304 ? 0.5227 0.3333 0.3317 0.0355 -0.0685 -0.0198 443 ILE C O 4923 C CB . ILE B 304 ? 0.4569 0.2732 0.2815 0.0299 -0.0506 -0.0486 443 ILE C CB 4924 C CG1 . ILE B 304 ? 0.4544 0.2767 0.2905 0.0355 -0.0425 -0.0635 443 ILE C CG1 4925 C CG2 . ILE B 304 ? 0.4524 0.2650 0.2698 0.0156 -0.0446 -0.0450 443 ILE C CG2 4926 C CD1 . ILE B 304 ? 0.4940 0.2890 0.3158 0.0318 -0.0364 -0.0658 443 ILE C CD1 4927 N N . ASN B 305 ? 0.4294 0.2780 0.2501 0.0280 -0.0612 -0.0288 444 ASN C N 4928 C CA . ASN B 305 ? 0.4255 0.2706 0.2344 0.0269 -0.0651 -0.0132 444 ASN C CA 4929 C C . ASN B 305 ? 0.4679 0.3179 0.2739 0.0158 -0.0584 -0.0092 444 ASN C C 4930 O O . ASN B 305 ? 0.4166 0.2819 0.2289 0.0131 -0.0531 -0.0194 444 ASN C O 4931 C CB . ASN B 305 ? 0.4190 0.2801 0.2267 0.0395 -0.0725 -0.0121 444 ASN C CB 4932 C CG . ASN B 305 ? 0.4656 0.3255 0.2593 0.0392 -0.0736 0.0037 444 ASN C CG 4933 O OD1 . ASN B 305 ? 0.5030 0.3781 0.2948 0.0372 -0.0706 0.0017 444 ASN C OD1 4934 N ND2 . ASN B 305 ? 0.4563 0.2968 0.2397 0.0412 -0.0768 0.0195 444 ASN C ND2 4935 N N . CYS B 306 ? 0.3925 0.2291 0.1903 0.0095 -0.0586 0.0057 445 CYS C N 4936 C CA . CYS B 306 ? 0.3949 0.2374 0.1906 0.0013 -0.0528 0.0122 445 CYS C CA 4937 C C . CYS B 306 ? 0.4905 0.3322 0.2795 0.0020 -0.0546 0.0303 445 CYS C C 4938 O O . CYS B 306 ? 0.5102 0.3361 0.2974 -0.0015 -0.0581 0.0418 445 CYS C O 4939 C CB . CYS B 306 ? 0.5031 0.3334 0.2996 -0.0093 -0.0494 0.0119 445 CYS C CB 4940 S SG . CYS B 306 ? 0.6307 0.4635 0.4318 -0.0116 -0.0417 -0.0066 445 CYS C SG 4941 N N . VAL B 307 ? 0.4500 0.3074 0.2347 0.0063 -0.0513 0.0326 446 VAL C N 4942 C CA . VAL B 307 ? 0.3954 0.2543 0.1727 0.0075 -0.0496 0.0504 446 VAL C CA 4943 C C . VAL B 307 ? 0.5211 0.3879 0.3013 0.0003 -0.0413 0.0558 446 VAL C C 4944 O O . VAL B 307 ? 0.4505 0.3286 0.2292 0.0023 -0.0363 0.0467 446 VAL C O 4945 C CB . VAL B 307 ? 0.4612 0.3310 0.2268 0.0204 -0.0515 0.0505 446 VAL C CB 4946 C CG1 . VAL B 307 ? 0.4831 0.3535 0.2385 0.0223 -0.0468 0.0703 446 VAL C CG1 4947 C CG2 . VAL B 307 ? 0.4750 0.3390 0.2384 0.0299 -0.0608 0.0457 446 VAL C CG2 4948 N N . SER B 308 ? 0.4329 0.2937 0.2186 -0.0080 -0.0402 0.0703 447 SER C N 4949 C CA . SER B 308 ? 0.3849 0.2553 0.1769 -0.0140 -0.0334 0.0763 447 SER C CA 4950 C C . SER B 308 ? 0.4716 0.3497 0.2649 -0.0143 -0.0284 0.0962 447 SER C C 4951 O O . SER B 308 ? 0.5344 0.4043 0.3265 -0.0149 -0.0310 0.1077 447 SER C O 4952 C CB . SER B 308 ? 0.4219 0.2829 0.2235 -0.0249 -0.0371 0.0744 447 SER C CB 4953 O OG . SER B 308 ? 0.4767 0.3285 0.2755 -0.0244 -0.0399 0.0576 447 SER C OG 4954 N N . ASN B 309 ? 0.4063 0.2994 0.2022 -0.0134 -0.0198 0.1006 448 ASN C N 4955 C CA . ASN B 309 ? 0.4472 0.3513 0.2489 -0.0145 -0.0126 0.1201 448 ASN C CA 4956 C C . ASN B 309 ? 0.4227 0.3290 0.2451 -0.0275 -0.0150 0.1291 448 ASN C C 4957 O O . ASN B 309 ? 0.4296 0.3400 0.2587 -0.0306 -0.0159 0.1221 448 ASN C O 4958 C CB . ASN B 309 ? 0.4991 0.4196 0.2937 -0.0050 -0.0014 0.1205 448 ASN C CB 4959 C CG . ASN B 309 ? 0.5344 0.4550 0.3071 0.0079 0.0011 0.1163 448 ASN C CG 4960 O OD1 . ASN B 309 ? 0.5520 0.4656 0.3182 0.0105 -0.0038 0.1198 448 ASN C OD1 4961 N ND2 . ASN B 309 ? 0.6618 0.5913 0.4258 0.0159 0.0075 0.1071 448 ASN C ND2 4962 N N . ILE B 310 ? 0.4366 0.3407 0.2715 -0.0341 -0.0157 0.1420 449 ILE C N 4963 C CA . ILE B 310 ? 0.4755 0.3860 0.3337 -0.0471 -0.0184 0.1502 449 ILE C CA 4964 C C . ILE B 310 ? 0.4792 0.4153 0.3498 -0.0439 -0.0065 0.1611 449 ILE C C 4965 O O . ILE B 310 ? 0.5021 0.4449 0.3738 -0.0400 0.0032 0.1714 449 ILE C O 4966 C CB . ILE B 310 ? 0.4908 0.3880 0.3594 -0.0574 -0.0236 0.1589 449 ILE C CB 4967 C CG1 . ILE B 310 ? 0.4746 0.3444 0.3297 -0.0585 -0.0350 0.1474 449 ILE C CG1 4968 C CG2 . ILE B 310 ? 0.4684 0.3749 0.3630 -0.0729 -0.0284 0.1673 449 ILE C CG2 4969 C CD1 . ILE B 310 ? 0.4738 0.3253 0.3337 -0.0652 -0.0387 0.1549 449 ILE C CD1 4970 N N . THR B 311 ? 0.4410 0.3899 0.3190 -0.0445 -0.0067 0.1586 450 THR C N 4971 C CA . THR B 311 ? 0.4776 0.4516 0.3667 -0.0386 0.0050 0.1674 450 THR C CA 4972 C C . THR B 311 ? 0.4422 0.4346 0.3614 -0.0505 0.0007 0.1798 450 THR C C 4973 O O . THR B 311 ? 0.3931 0.4108 0.3285 -0.0469 0.0101 0.1904 450 THR C O 4974 C CB . THR B 311 ? 0.4566 0.4332 0.3300 -0.0264 0.0102 0.1564 450 THR C CB 4975 O OG1 . THR B 311 ? 0.4442 0.4132 0.3182 -0.0316 0.0002 0.1473 450 THR C OG1 4976 C CG2 . THR B 311 ? 0.5274 0.4897 0.3734 -0.0163 0.0131 0.1449 450 THR C CG2 4977 N N . GLY B 312 ? 0.4177 0.3975 0.3444 -0.0647 -0.0144 0.1782 451 GLY C N 4978 C CA . GLY B 312 ? 0.4228 0.4188 0.3785 -0.0771 -0.0225 0.1861 451 GLY C CA 4979 C C . GLY B 312 ? 0.4902 0.4661 0.4518 -0.0936 -0.0386 0.1828 451 GLY C C 4980 O O . GLY B 312 ? 0.3996 0.3468 0.3398 -0.0934 -0.0443 0.1715 451 GLY C O 4981 N N . ILE B 313 ? 0.4701 0.4615 0.4618 -0.1079 -0.0460 0.1923 452 ILE C N 4982 C CA . ILE B 313 ? 0.4573 0.4289 0.4561 -0.1253 -0.0626 0.1887 452 ILE C CA 4983 C C . ILE B 313 ? 0.5040 0.4918 0.5237 -0.1341 -0.0775 0.1860 452 ILE C C 4984 O O . ILE B 313 ? 0.4587 0.4813 0.5066 -0.1349 -0.0740 0.1972 452 ILE C O 4985 C CB . ILE B 313 ? 0.5013 0.4713 0.5190 -0.1390 -0.0588 0.2050 452 ILE C CB 4986 C CG1 . ILE B 313 ? 0.4123 0.3700 0.4082 -0.1256 -0.0433 0.2061 452 ILE C CG1 4987 C CG2 . ILE B 313 ? 0.5060 0.4489 0.5274 -0.1570 -0.0764 0.1992 452 ILE C CG2 4988 C CD1 . ILE B 313 ? 0.5848 0.5408 0.5952 -0.1327 -0.0358 0.2176 452 ILE C CD1 4989 N N . LEU B 314 ? 0.3967 0.3598 0.4017 -0.1394 -0.0941 0.1708 453 LEU C N 4990 C CA . LEU B 314 ? 0.4017 0.3759 0.4220 -0.1481 -0.1116 0.1668 453 LEU C CA 4991 C C . LEU B 314 ? 0.4934 0.4601 0.5357 -0.1706 -0.1258 0.1703 453 LEU C C 4992 O O . LEU B 314 ? 0.5497 0.4810 0.5753 -0.1774 -0.1310 0.1633 453 LEU C O 4993 C CB . LEU B 314 ? 0.5006 0.4513 0.4884 -0.1398 -0.1212 0.1479 453 LEU C CB 4994 C CG . LEU B 314 ? 0.5356 0.4911 0.5025 -0.1197 -0.1083 0.1432 453 LEU C CG 4995 C CD1 . LEU B 314 ? 0.5839 0.5121 0.5182 -0.1136 -0.1159 0.1256 453 LEU C CD1 4996 C CD2 . LEU B 314 ? 0.5453 0.5388 0.5345 -0.1130 -0.1042 0.1537 453 LEU C CD2 4997 N N . LEU B 315 ? 0.5015 0.5014 0.5824 -0.1820 -0.1321 0.1808 454 LEU C N 4998 C CA . LEU B 315 ? 0.4600 0.4564 0.5682 -0.2061 -0.1452 0.1852 454 LEU C CA 4999 C C . LEU B 315 ? 0.4561 0.4710 0.5857 -0.2170 -0.1683 0.1794 454 LEU C C 5000 O O . LEU B 315 ? 0.4499 0.4951 0.5871 -0.2061 -0.1703 0.1799 454 LEU C O 5001 C CB . LEU B 315 ? 0.4976 0.5190 0.6412 -0.2149 -0.1293 0.2071 454 LEU C CB 5002 C CG . LEU B 315 ? 0.6054 0.6066 0.7299 -0.2076 -0.1087 0.2154 454 LEU C CG 5003 C CD1 . LEU B 315 ? 0.4740 0.5044 0.6319 -0.2122 -0.0916 0.2355 454 LEU C CD1 5004 C CD2 . LEU B 315 ? 0.5464 0.4989 0.6446 -0.2129 -0.1162 0.2035 454 LEU C CD2 5005 N N . THR B 316 ? 0.4827 0.4777 0.6209 -0.2380 -0.1864 0.1736 455 THR C N 5006 C CA . THR B 316 ? 0.5382 0.5516 0.7010 -0.2521 -0.2111 0.1682 455 THR C CA 5007 C C . THR B 316 ? 0.5523 0.5716 0.7486 -0.2691 -0.2114 0.1740 455 THR C C 5008 O O . THR B 316 ? 0.6113 0.5938 0.7923 -0.2742 -0.2078 0.1692 455 THR C O 5009 C CB . THR B 316 ? 0.5570 0.5323 0.6798 -0.2498 -0.2319 0.1451 455 THR C CB 5010 O OG1 . THR B 316 ? 0.6941 0.6629 0.7794 -0.2260 -0.2251 0.1374 455 THR C OG1 5011 C CG2 . THR B 316 ? 0.5700 0.5633 0.7106 -0.2568 -0.2539 0.1374 455 THR C CG2 5012 N N . ARG B 317 ? 0.5833 0.6496 0.8251 -0.2760 -0.2147 0.1839 456 ARG C N 5013 C CA . ARG B 317 ? 0.5507 0.6279 0.8290 -0.2925 -0.2126 0.1902 456 ARG C CA 5014 C C . ARG B 317 ? 0.6129 0.6760 0.8925 -0.3051 -0.2374 0.1728 456 ARG C C 5015 O O . ARG B 317 ? 0.5788 0.6536 0.8539 -0.3009 -0.2565 0.1622 456 ARG C O 5016 C CB . ARG B 317 ? 0.5257 0.6622 0.8548 -0.2931 -0.2010 0.2096 456 ARG C CB 5017 C CG . ARG B 317 ? 0.6254 0.7764 0.9954 -0.3106 -0.1955 0.2175 456 ARG C CG 5018 C CD . ARG B 317 ? 0.6067 0.8160 1.0235 -0.3076 -0.1795 0.2373 456 ARG C CD 5019 N NE . ARG B 317 ? 0.5547 0.8066 0.9914 -0.3001 -0.1939 0.2354 456 ARG C NE 5020 C CZ . ARG B 317 ? 0.6134 0.8934 1.0845 -0.3104 -0.2116 0.2300 456 ARG C CZ 5021 N NH1 . ARG B 317 ? 0.6351 0.9054 1.1265 -0.3310 -0.2168 0.2258 456 ARG C NH1 5022 N NH2 . ARG B 317 ? 0.5652 0.8830 1.0500 -0.2995 -0.2241 0.2283 456 ARG C NH2 5023 N N . ASP B 318 ? 0.6109 0.6482 0.8949 -0.3194 -0.2365 0.1696 457 ASP C N 5024 C CA . ASP B 318 ? 0.7324 0.7536 1.0178 -0.3328 -0.2582 0.1527 457 ASP C CA 5025 C C . ASP B 318 ? 0.7295 0.8006 1.0644 -0.3439 -0.2701 0.1557 457 ASP C C 5026 O O . ASP B 318 ? 0.6551 0.7683 1.0327 -0.3478 -0.2565 0.1734 457 ASP C O 5027 C CB . ASP B 318 ? 0.8123 0.7943 1.0928 -0.3459 -0.2519 0.1500 457 ASP C CB 5028 C CG . ASP B 318 ? 0.8366 0.7624 1.0628 -0.3352 -0.2508 0.1374 457 ASP C CG 5029 O OD1 . ASP B 318 ? 0.8111 0.7303 1.0065 -0.3176 -0.2467 0.1363 457 ASP C OD1 5030 O OD2 . ASP B 318 ? 0.8218 0.7105 1.0370 -0.3443 -0.2535 0.1284 457 ASP C OD2 5031 N N . GLY B 319 ? 0.8061 0.8728 1.1342 -0.3477 -0.2949 0.1378 458 GLY C N 5032 C CA . GLY B 319 ? 0.8414 0.9534 1.2148 -0.3584 -0.3094 0.1371 458 GLY C CA 5033 C C . GLY B 319 ? 0.8999 1.0015 1.2983 -0.3824 -0.3151 0.1312 458 GLY C C 5034 O O . GLY B 319 ? 0.9056 0.9582 1.2776 -0.3888 -0.3124 0.1235 458 GLY C O 5035 N N . GLY B 320 ? 0.9126 1.0609 1.3629 -0.3954 -0.3227 0.1345 459 GLY C N 5036 C CA . GLY B 320 ? 0.9843 1.1284 1.4649 -0.4206 -0.3283 0.1289 459 GLY C CA 5037 C C . GLY B 320 ? 1.0598 1.1922 1.5576 -0.4320 -0.3020 0.1451 459 GLY C C 5038 O O . GLY B 320 ? 1.1166 1.2065 1.6022 -0.4455 -0.3008 0.1379 459 GLY C O 5039 N N . ALA B 321 ? 1.0653 1.2344 1.5895 -0.4252 -0.2800 0.1670 460 ALA C N 5040 C CA . ALA B 321 ? 1.1035 1.2645 1.6419 -0.4329 -0.2522 0.1843 460 ALA C CA 5041 C C . ALA B 321 ? 1.0863 1.3075 1.6850 -0.4401 -0.2379 0.2028 460 ALA C C 5042 O O . ALA B 321 ? 1.1077 1.3312 1.7206 -0.4435 -0.2117 0.2202 460 ALA C O 5043 C CB . ALA B 321 ? 1.0516 1.1846 1.5471 -0.4128 -0.2327 0.1936 460 ALA C CB 5044 N N . ASN B 322 ? 1.0275 1.2976 1.6604 -0.4411 -0.2547 0.1986 461 ASN C N 5045 C CA . ASN B 322 ? 1.0032 1.3355 1.6964 -0.4464 -0.2428 0.2146 461 ASN C CA 5046 C C . ASN B 322 ? 0.9406 1.2793 1.6778 -0.4755 -0.2398 0.2150 461 ASN C C 5047 O O . ASN B 322 ? 0.9571 1.3438 1.7459 -0.4827 -0.2256 0.2293 461 ASN C O 5048 C CB . ASN B 322 ? 1.0806 1.4644 1.7956 -0.4354 -0.2622 0.2095 461 ASN C CB 5049 C CG . ASN B 322 ? 1.1506 1.5117 1.8373 -0.4363 -0.2960 0.1844 461 ASN C CG 5050 O OD1 . ASN B 322 ? 1.2169 1.5335 1.8834 -0.4514 -0.3071 0.1695 461 ASN C OD1 5051 N ND2 . ASN B 322 ? 1.1115 1.5016 1.7940 -0.4185 -0.3116 0.1794 461 ASN C ND2 5052 N N . ASN B 323 ? 0.9011 1.1909 1.6176 -0.4921 -0.2523 0.1991 462 ASN C N 5053 C CA . ASN B 323 ? 0.9535 1.2396 1.7063 -0.5215 -0.2487 0.1983 462 ASN C CA 5054 C C . ASN B 323 ? 0.9506 1.1922 1.6844 -0.5267 -0.2210 0.2107 462 ASN C C 5055 O O . ASN B 323 ? 0.9564 1.2055 1.7261 -0.5472 -0.2053 0.2202 462 ASN C O 5056 C CB . ASN B 323 ? 0.9997 1.2606 1.7451 -0.5383 -0.2797 0.1722 462 ASN C CB 5057 C CG . ASN B 323 ? 1.0052 1.3232 1.8009 -0.5493 -0.3018 0.1633 462 ASN C CG 5058 O OD1 . ASN B 323 ? 1.0508 1.3857 1.8918 -0.5756 -0.3042 0.1606 462 ASN C OD1 5059 N ND2 . ASN B 323 ? 0.9669 1.3153 1.7552 -0.5290 -0.3180 0.1585 462 ASN C ND2 5060 N N . THR B 324 ? 0.8762 1.0718 1.5530 -0.5079 -0.2148 0.2104 463 THR C N 5061 C CA . THR B 324 ? 0.9269 1.0770 1.5782 -0.5087 -0.1898 0.2210 463 THR C CA 5062 C C . THR B 324 ? 0.9320 1.1092 1.5904 -0.4932 -0.1593 0.2459 463 THR C C 5063 O O . THR B 324 ? 0.9390 1.1663 1.6175 -0.4801 -0.1581 0.2536 463 THR C O 5064 C CB . THR B 324 ? 0.9131 1.0004 1.4992 -0.4948 -0.1976 0.2077 463 THR C CB 5065 O OG1 . THR B 324 ? 0.9210 0.9993 1.4930 -0.4962 -0.2294 0.1842 463 THR C OG1 5066 C CG2 . THR B 324 ? 0.9301 0.9616 1.4975 -0.5070 -0.1841 0.2085 463 THR C CG2 5067 N N . SER B 325 ? 0.9333 1.0762 1.5731 -0.4938 -0.1342 0.2581 464 SER C N 5068 C CA . SER B 325 ? 0.9420 1.1041 1.5816 -0.4784 -0.1037 0.2809 464 SER C CA 5069 C C . SER B 325 ? 0.9153 1.0486 1.4984 -0.4506 -0.0985 0.2813 464 SER C C 5070 O O . SER B 325 ? 0.8732 1.0064 1.4416 -0.4363 -0.0730 0.2977 464 SER C O 5071 C CB . SER B 325 ? 1.0560 1.1991 1.7067 -0.4941 -0.0774 0.2953 464 SER C CB 5072 O OG . SER B 325 ? 1.0879 1.2439 1.7299 -0.4771 -0.0475 0.3164 464 SER C OG 5073 N N . ASN B 326 ? 0.9005 1.0096 1.4510 -0.4429 -0.1227 0.2626 465 ASN C N 5074 C CA . ASN B 326 ? 0.8990 0.9781 1.3959 -0.4187 -0.1198 0.2602 465 ASN C CA 5075 C C . ASN B 326 ? 0.8030 0.9087 1.2913 -0.4018 -0.1360 0.2529 465 ASN C C 5076 O O . ASN B 326 ? 0.7301 0.8657 1.2447 -0.4089 -0.1565 0.2441 465 ASN C O 5077 C CB . ASN B 326 ? 0.9904 1.0048 1.4448 -0.4217 -0.1296 0.2447 465 ASN C CB 5078 C CG . ASN B 326 ? 1.1327 1.1140 1.5903 -0.4371 -0.1128 0.2519 465 ASN C CG 5079 O OD1 . ASN B 326 ? 1.1788 1.1721 1.6488 -0.4366 -0.0871 0.2712 465 ASN C OD1 5080 N ND2 . ASN B 326 ? 1.2077 1.1453 1.6520 -0.4503 -0.1266 0.2364 465 ASN C ND2 5081 N N . GLU B 327 ? 0.8054 0.8996 1.2559 -0.3791 -0.1264 0.2565 466 GLU C N 5082 C CA . GLU B 327 ? 0.8133 0.9199 1.2450 -0.3626 -0.1409 0.2482 466 GLU C CA 5083 C C . GLU B 327 ? 0.7702 0.8273 1.1446 -0.3476 -0.1409 0.2392 466 GLU C C 5084 O O . GLU B 327 ? 0.7830 0.8266 1.1358 -0.3351 -0.1198 0.2493 466 GLU C O 5085 C CB . GLU B 327 ? 0.7759 0.9351 1.2295 -0.3483 -0.1263 0.2644 466 GLU C CB 5086 C CG . GLU B 327 ? 0.7786 0.9937 1.2891 -0.3589 -0.1312 0.2701 466 GLU C CG 5087 C CD . GLU B 327 ? 0.7226 0.9487 1.2411 -0.3644 -0.1628 0.2527 466 GLU C CD 5088 O OE1 . GLU B 327 ? 0.6147 0.8144 1.0936 -0.3542 -0.1780 0.2391 466 GLU C OE1 5089 O OE2 . GLU B 327 ? 0.7454 1.0066 1.3090 -0.3783 -0.1723 0.2520 466 GLU C OE2 5090 N N . THR B 328 ? 0.7089 0.7393 1.0580 -0.3480 -0.1644 0.2193 467 THR C N 5091 C CA . THR B 328 ? 0.7040 0.6846 1.0002 -0.3355 -0.1660 0.2080 467 THR C CA 5092 C C . THR B 328 ? 0.7023 0.6901 0.9720 -0.3165 -0.1709 0.2032 467 THR C C 5093 O O . THR B 328 ? 0.6238 0.6350 0.9026 -0.3164 -0.1878 0.1964 467 THR C O 5094 C CB . THR B 328 ? 0.6925 0.6311 0.9709 -0.3464 -0.1858 0.1878 467 THR C CB 5095 O OG1 . THR B 328 ? 0.8113 0.7378 1.1119 -0.3647 -0.1793 0.1923 467 THR C OG1 5096 C CG2 . THR B 328 ? 0.6921 0.5819 0.9171 -0.3315 -0.1861 0.1760 467 THR C CG2 5097 N N . PHE B 329 ? 0.6010 0.5680 0.8372 -0.3004 -0.1559 0.2064 468 PHE C N 5098 C CA . PHE B 329 ? 0.5679 0.5376 0.7770 -0.2830 -0.1576 0.2020 468 PHE C CA 5099 C C . PHE B 329 ? 0.5751 0.4940 0.7347 -0.2731 -0.1615 0.1864 468 PHE C C 5100 O O . PHE B 329 ? 0.6360 0.5235 0.7797 -0.2718 -0.1520 0.1865 468 PHE C O 5101 C CB . PHE B 329 ? 0.5397 0.5384 0.7553 -0.2698 -0.1340 0.2201 468 PHE C CB 5102 C CG . PHE B 329 ? 0.5720 0.6238 0.8359 -0.2757 -0.1271 0.2360 468 PHE C CG 5103 C CD1 . PHE B 329 ? 0.6293 0.6916 0.9209 -0.2853 -0.1126 0.2489 468 PHE C CD1 5104 C CD2 . PHE B 329 ? 0.5268 0.6184 0.8085 -0.2709 -0.1340 0.2382 468 PHE C CD2 5105 C CE1 . PHE B 329 ? 0.5607 0.6731 0.8976 -0.2896 -0.1048 0.2631 468 PHE C CE1 5106 C CE2 . PHE B 329 ? 0.5289 0.6720 0.8566 -0.2738 -0.1268 0.2525 468 PHE C CE2 5107 C CZ . PHE B 329 ? 0.5445 0.6984 0.9001 -0.2831 -0.1119 0.2647 468 PHE C CZ 5108 N N . ARG B 330 ? 0.5619 0.4736 0.6973 -0.2652 -0.1750 0.1730 469 ARG C N 5109 C CA . ARG B 330 ? 0.5680 0.4352 0.6570 -0.2539 -0.1780 0.1571 469 ARG C CA 5110 C C . ARG B 330 ? 0.5693 0.4423 0.6356 -0.2379 -0.1731 0.1559 469 ARG C C 5111 O O . ARG B 330 ? 0.6272 0.5315 0.7080 -0.2382 -0.1782 0.1597 469 ARG C O 5112 C CB . ARG B 330 ? 0.6926 0.5348 0.7673 -0.2604 -0.2001 0.1375 469 ARG C CB 5113 C CG . ARG B 330 ? 0.6319 0.4686 0.7305 -0.2781 -0.2069 0.1370 469 ARG C CG 5114 C CD . ARG B 330 ? 0.6609 0.4768 0.7445 -0.2831 -0.2290 0.1169 469 ARG C CD 5115 N NE . ARG B 330 ? 0.7142 0.5312 0.8264 -0.3024 -0.2371 0.1163 469 ARG C NE 5116 C CZ . ARG B 330 ? 0.7321 0.5121 0.8345 -0.3091 -0.2368 0.1095 469 ARG C CZ 5117 N NH1 . ARG B 330 ? 0.7376 0.4785 0.8028 -0.2963 -0.2290 0.1031 469 ARG C NH1 5118 N NH2 . ARG B 330 ? 0.7649 0.5478 0.8960 -0.3285 -0.2441 0.1088 469 ARG C NH2 5119 N N . PRO B 331 ? 0.5324 0.3764 0.5643 -0.2237 -0.1628 0.1505 470 PRO C N 5120 C CA . PRO B 331 ? 0.5856 0.4312 0.5939 -0.2084 -0.1565 0.1480 470 PRO C CA 5121 C C . PRO B 331 ? 0.7694 0.6093 0.7596 -0.2052 -0.1726 0.1310 470 PRO C C 5122 O O . PRO B 331 ? 0.8504 0.6551 0.8152 -0.2060 -0.1837 0.1152 470 PRO C O 5123 C CB . PRO B 331 ? 0.6009 0.4141 0.5777 -0.1945 -0.1454 0.1415 470 PRO C CB 5124 C CG . PRO B 331 ? 0.5512 0.3372 0.5273 -0.2028 -0.1524 0.1351 470 PRO C CG 5125 C CD . PRO B 331 ? 0.6317 0.4409 0.6463 -0.2205 -0.1564 0.1465 470 PRO C CD 5126 N N . GLY B 332 ? 0.9464 0.8217 0.9473 -0.1976 -0.1717 0.1337 471 GLY C N 5127 C CA . GLY B 332 ? 1.0204 0.8942 1.0038 -0.1919 -0.1857 0.1195 471 GLY C CA 5128 C C . GLY B 332 ? 1.0955 0.9510 1.0394 -0.1716 -0.1760 0.1078 471 GLY C C 5129 O O . GLY B 332 ? 1.1541 0.9760 1.0726 -0.1679 -0.1724 0.0987 471 GLY C O 5130 N N . GLY B 333 ? 1.1021 0.9801 1.0424 -0.1583 -0.1711 0.1084 472 GLY C N 5131 C CA . GLY B 333 ? 1.0698 0.9325 0.9759 -0.1406 -0.1610 0.0980 472 GLY C CA 5132 C C . GLY B 333 ? 1.0730 0.9152 0.9513 -0.1380 -0.1750 0.0830 472 GLY C C 5133 O O . GLY B 333 ? 0.9904 0.8237 0.8710 -0.1501 -0.1943 0.0779 472 GLY C O 5134 N N . GLY B 334 ? 1.0067 0.8400 0.8574 -0.1225 -0.1651 0.0756 473 GLY C N 5135 C CA . GLY B 334 ? 1.0375 0.8498 0.8568 -0.1174 -0.1747 0.0626 473 GLY C CA 5136 C C . GLY B 334 ? 1.0986 0.9279 0.9108 -0.1047 -0.1713 0.0658 473 GLY C C 5137 O O . GLY B 334 ? 1.2303 1.0435 1.0136 -0.0924 -0.1608 0.0588 473 GLY C O 5138 N N . ASN B 335 ? 0.9033 0.7491 0.9030 -0.1397 -0.1510 0.0537 474 ASN C N 5139 C CA . ASN B 335 ? 0.7297 0.6030 0.7231 -0.1311 -0.1489 0.0591 474 ASN C CA 5140 C C . ASN B 335 ? 0.5249 0.4075 0.5107 -0.1166 -0.1270 0.0696 474 ASN C C 5141 O O . ASN B 335 ? 0.4563 0.3597 0.4663 -0.1159 -0.1173 0.0867 474 ASN C O 5142 C CB . ASN B 335 ? 0.7874 0.6926 0.8183 -0.1415 -0.1597 0.0724 474 ASN C CB 5143 C CG . ASN B 335 ? 0.9320 0.8622 0.9547 -0.1325 -0.1628 0.0751 474 ASN C CG 5144 O OD1 . ASN B 335 ? 0.9072 0.8260 0.8943 -0.1229 -0.1640 0.0632 474 ASN C OD1 5145 N ND2 . ASN B 335 ? 1.0340 0.9991 1.0908 -0.1345 -0.1629 0.0924 474 ASN C ND2 5146 N N . ILE B 336 ? 0.4821 0.3494 0.4345 -0.1049 -0.1193 0.0590 475 ILE C N 5147 C CA . ILE B 336 ? 0.4761 0.3460 0.4189 -0.0926 -0.1009 0.0648 475 ILE C CA 5148 C C . ILE B 336 ? 0.5003 0.3978 0.4536 -0.0855 -0.0932 0.0782 475 ILE C C 5149 O O . ILE B 336 ? 0.5022 0.4057 0.4566 -0.0777 -0.0793 0.0857 475 ILE C O 5150 C CB . ILE B 336 ? 0.5418 0.3927 0.4509 -0.0833 -0.0958 0.0510 475 ILE C CB 5151 C CG1 . ILE B 336 ? 0.6400 0.4638 0.5387 -0.0875 -0.1015 0.0376 475 ILE C CG1 5152 C CG2 . ILE B 336 ? 0.5511 0.4041 0.4537 -0.0730 -0.0795 0.0554 475 ILE C CG2 5153 C CD1 . ILE B 336 ? 0.6088 0.4235 0.5244 -0.0911 -0.0968 0.0433 475 ILE C CD1 5154 N N . LYS B 337 ? 0.4155 0.3296 0.3760 -0.0872 -0.1029 0.0808 476 LYS C N 5155 C CA . LYS B 337 ? 0.4081 0.3484 0.3812 -0.0789 -0.0957 0.0941 476 LYS C CA 5156 C C . LYS B 337 ? 0.4211 0.3812 0.4251 -0.0811 -0.0875 0.1102 476 LYS C C 5157 O O . LYS B 337 ? 0.4211 0.3975 0.4295 -0.0701 -0.0748 0.1200 476 LYS C O 5158 C CB . LYS B 337 ? 0.4397 0.3966 0.4180 -0.0799 -0.1094 0.0956 476 LYS C CB 5159 C CG . LYS B 337 ? 0.4476 0.3906 0.3921 -0.0720 -0.1121 0.0851 476 LYS C CG 5160 C CD . LYS B 337 ? 0.5756 0.5397 0.5249 -0.0681 -0.1224 0.0915 476 LYS C CD 5161 C CE . LYS B 337 ? 0.7647 0.7412 0.7328 -0.0818 -0.1440 0.0901 476 LYS C CE 5162 N NZ . LYS B 337 ? 0.9056 0.8558 0.8495 -0.0899 -0.1562 0.0719 476 LYS C NZ 5163 N N . ASP B 338 ? 0.4179 0.3751 0.4424 -0.0946 -0.0938 0.1132 477 ASP C N 5164 C CA . ASP B 338 ? 0.4191 0.3940 0.4732 -0.0974 -0.0843 0.1310 477 ASP C CA 5165 C C . ASP B 338 ? 0.3491 0.3170 0.3862 -0.0852 -0.0658 0.1340 477 ASP C C 5166 O O . ASP B 338 ? 0.4412 0.4295 0.4915 -0.0787 -0.0528 0.1491 477 ASP C O 5167 C CB . ASP B 338 ? 0.5232 0.4895 0.6015 -0.1154 -0.0947 0.1333 477 ASP C CB 5168 C CG . ASP B 338 ? 0.6366 0.6155 0.7391 -0.1294 -0.1147 0.1321 477 ASP C CG 5169 O OD1 . ASP B 338 ? 0.7403 0.7483 0.8557 -0.1253 -0.1167 0.1396 477 ASP C OD1 5170 O OD2 . ASP B 338 ? 0.6266 0.5859 0.7354 -0.1442 -0.1295 0.1232 477 ASP C OD2 5171 N N . ASN B 339 ? 0.3735 0.3144 0.3812 -0.0814 -0.0649 0.1197 478 ASN C N 5172 C CA . ASN B 339 ? 0.3832 0.3177 0.3731 -0.0701 -0.0507 0.1202 478 ASN C CA 5173 C C . ASN B 339 ? 0.4364 0.3854 0.4162 -0.0558 -0.0401 0.1224 478 ASN C C 5174 O O . ASN B 339 ? 0.4299 0.3875 0.4072 -0.0468 -0.0278 0.1300 478 ASN C O 5175 C CB . ASN B 339 ? 0.4006 0.3072 0.3647 -0.0688 -0.0531 0.1041 478 ASN C CB 5176 C CG . ASN B 339 ? 0.4866 0.3742 0.4580 -0.0798 -0.0614 0.1009 478 ASN C CG 5177 O OD1 . ASN B 339 ? 0.6513 0.5399 0.6414 -0.0916 -0.0722 0.1026 478 ASN C OD1 5178 N ND2 . ASN B 339 ? 0.4124 0.2823 0.3703 -0.0757 -0.0572 0.0958 478 ASN C ND2 5179 N N . TRP B 340 ? 0.4229 0.3733 0.3953 -0.0527 -0.0450 0.1158 479 TRP C N 5180 C CA . TRP B 340 ? 0.3403 0.2993 0.3034 -0.0387 -0.0357 0.1169 479 TRP C CA 5181 C C . TRP B 340 ? 0.3424 0.3310 0.3300 -0.0340 -0.0294 0.1331 479 TRP C C 5182 O O . TRP B 340 ? 0.4205 0.4171 0.4021 -0.0203 -0.0169 0.1367 479 TRP C O 5183 C CB . TRP B 340 ? 0.3631 0.3124 0.3111 -0.0360 -0.0418 0.1074 479 TRP C CB 5184 C CG . TRP B 340 ? 0.3950 0.3206 0.3245 -0.0426 -0.0494 0.0938 479 TRP C CG 5185 C CD1 . TRP B 340 ? 0.3810 0.3005 0.3028 -0.0467 -0.0600 0.0878 479 TRP C CD1 5186 C CD2 . TRP B 340 ? 0.3812 0.2883 0.2972 -0.0441 -0.0463 0.0854 479 TRP C CD2 5187 N NE1 . TRP B 340 ? 0.3926 0.2905 0.2960 -0.0500 -0.0619 0.0759 479 TRP C NE1 5188 C CE2 . TRP B 340 ? 0.4250 0.3156 0.3269 -0.0486 -0.0537 0.0745 479 TRP C CE2 5189 C CE3 . TRP B 340 ? 0.4063 0.3107 0.3199 -0.0408 -0.0381 0.0866 479 TRP C CE3 5190 C CZ2 . TRP B 340 ? 0.3959 0.2688 0.2851 -0.0496 -0.0520 0.0652 479 TRP C CZ2 5191 C CZ3 . TRP B 340 ? 0.4213 0.3084 0.3229 -0.0425 -0.0385 0.0776 479 TRP C CZ3 5192 C CH2 . TRP B 340 ? 0.3884 0.2605 0.2797 -0.0468 -0.0448 0.0673 479 TRP C CH2 5193 N N . ARG B 341 ? 0.3959 0.4011 0.4121 -0.0451 -0.0383 0.1424 480 ARG C N 5194 C CA . ARG B 341 ? 0.4025 0.4410 0.4493 -0.0421 -0.0323 0.1604 480 ARG C CA 5195 C C . ARG B 341 ? 0.3966 0.4447 0.4485 -0.0367 -0.0162 0.1724 480 ARG C C 5196 O O . ARG B 341 ? 0.4384 0.5112 0.5020 -0.0253 -0.0034 0.1850 480 ARG C O 5197 C CB . ARG B 341 ? 0.3692 0.4238 0.4500 -0.0587 -0.0474 0.1677 480 ARG C CB 5198 C CG . ARG B 341 ? 0.4197 0.4714 0.4959 -0.0624 -0.0646 0.1581 480 ARG C CG 5199 C CD . ARG B 341 ? 0.3786 0.4561 0.4935 -0.0761 -0.0795 0.1677 480 ARG C CD 5200 N NE . ARG B 341 ? 0.4831 0.5517 0.5876 -0.0829 -0.1002 0.1551 480 ARG C NE 5201 C CZ . ARG B 341 ? 0.5515 0.6308 0.6486 -0.0731 -0.1053 0.1546 480 ARG C CZ 5202 N NH1 . ARG B 341 ? 0.4267 0.5238 0.5279 -0.0561 -0.0910 0.1652 480 ARG C NH1 5203 N NH2 . ARG B 341 ? 0.7089 0.7798 0.7926 -0.0789 -0.1244 0.1437 480 ARG C NH2 5204 N N . SER B 342 ? 0.3767 0.4058 0.4187 -0.0434 -0.0162 0.1692 481 SER C N 5205 C CA . SER B 342 ? 0.3269 0.3640 0.3708 -0.0384 -0.0019 0.1822 481 SER C CA 5206 C C . SER B 342 ? 0.3501 0.3871 0.3652 -0.0183 0.0126 0.1780 481 SER C C 5207 O O . SER B 342 ? 0.3961 0.4458 0.4093 -0.0094 0.0265 0.1899 481 SER C O 5208 C CB . SER B 342 ? 0.3613 0.3753 0.3994 -0.0487 -0.0066 0.1795 481 SER C CB 5209 O OG . SER B 342 ? 0.4126 0.3993 0.4176 -0.0444 -0.0105 0.1604 481 SER C OG 5210 N N . GLU B 343 ? 0.3664 0.3879 0.3581 -0.0112 0.0091 0.1613 482 GLU C N 5211 C CA . GLU B 343 ? 0.4241 0.4407 0.3885 0.0065 0.0201 0.1538 482 GLU C CA 5212 C C . GLU B 343 ? 0.3950 0.4224 0.3625 0.0185 0.0243 0.1535 482 GLU C C 5213 O O . GLU B 343 ? 0.4212 0.4535 0.3754 0.0353 0.0368 0.1532 482 GLU C O 5214 C CB . GLU B 343 ? 0.4896 0.4762 0.4246 0.0057 0.0139 0.1346 482 GLU C CB 5215 C CG . GLU B 343 ? 0.5095 0.4854 0.4388 -0.0017 0.0112 0.1347 482 GLU C CG 5216 C CD . GLU B 343 ? 0.5387 0.5261 0.4597 0.0085 0.0232 0.1448 482 GLU C CD 5217 O OE1 . GLU B 343 ? 0.5857 0.5798 0.4912 0.0237 0.0328 0.1426 482 GLU C OE1 5218 O OE2 . GLU B 343 ? 0.5425 0.5309 0.4708 0.0024 0.0233 0.1550 482 GLU C OE2 5219 N N . LEU B 344 ? 0.3383 0.3687 0.3218 0.0110 0.0136 0.1535 483 LEU C N 5220 C CA . LEU B 344 ? 0.3338 0.3722 0.3206 0.0228 0.0158 0.1539 483 LEU C CA 5221 C C . LEU B 344 ? 0.3977 0.4734 0.4191 0.0267 0.0211 0.1732 483 LEU C C 5222 O O . LEU B 344 ? 0.4273 0.5146 0.4579 0.0366 0.0218 0.1766 483 LEU C O 5223 C CB . LEU B 344 ? 0.3449 0.3674 0.3270 0.0151 0.0011 0.1444 483 LEU C CB 5224 C CG . LEU B 344 ? 0.3596 0.3482 0.3106 0.0136 -0.0022 0.1267 483 LEU C CG 5225 C CD1 . LEU B 344 ? 0.4023 0.3802 0.3510 0.0048 -0.0158 0.1214 483 LEU C CD1 5226 C CD2 . LEU B 344 ? 0.4319 0.4077 0.3629 0.0300 0.0083 0.1192 483 LEU C CD2 5227 N N . TYR B 345 ? 0.3741 0.4695 0.4169 0.0193 0.0253 0.1874 484 TYR C N 5228 C CA . TYR B 345 ? 0.3742 0.5091 0.4580 0.0189 0.0294 0.2083 484 TYR C CA 5229 C C . TYR B 345 ? 0.4530 0.6097 0.5389 0.0424 0.0476 0.2165 484 TYR C C 5230 O O . TYR B 345 ? 0.4462 0.6358 0.5659 0.0460 0.0493 0.2311 484 TYR C O 5231 C CB . TYR B 345 ? 0.3099 0.4586 0.4160 0.0059 0.0328 0.2234 484 TYR C CB 5232 C CG . TYR B 345 ? 0.3501 0.4966 0.4346 0.0183 0.0515 0.2275 484 TYR C CG 5233 C CD1 . TYR B 345 ? 0.3944 0.5093 0.4447 0.0164 0.0493 0.2140 484 TYR C CD1 5234 C CD2 . TYR B 345 ? 0.3308 0.5090 0.4284 0.0332 0.0714 0.2454 484 TYR C CD2 5235 C CE1 . TYR B 345 ? 0.4140 0.5284 0.4420 0.0285 0.0642 0.2177 484 TYR C CE1 5236 C CE2 . TYR B 345 ? 0.3455 0.5223 0.4181 0.0462 0.0883 0.2490 484 TYR C CE2 5237 C CZ . TYR B 345 ? 0.4810 0.6254 0.5179 0.0435 0.0835 0.2348 484 TYR C CZ 5238 O OH . TYR B 345 ? 0.4889 0.6332 0.4986 0.0572 0.0983 0.2383 484 TYR C OH 5239 N N . LYS B 346 ? 0.4568 0.5958 0.5071 0.0591 0.0607 0.2065 485 LYS C N 5240 C CA . LYS B 346 ? 0.4574 0.6136 0.5043 0.0837 0.0801 0.2124 485 LYS C CA 5241 C C . LYS B 346 ? 0.4262 0.5642 0.4549 0.0995 0.0796 0.1985 485 LYS C C 5242 O O . LYS B 346 ? 0.4670 0.6110 0.4868 0.1223 0.0954 0.1990 485 LYS C O 5243 C CB . LYS B 346 ? 0.4121 0.5618 0.4293 0.0950 0.0957 0.2103 485 LYS C CB 5244 C CG . LYS B 346 ? 0.4427 0.5504 0.4158 0.0943 0.0888 0.1864 485 LYS C CG 5245 C CD . LYS B 346 ? 0.4891 0.5933 0.4297 0.1096 0.1034 0.1832 485 LYS C CD 5246 C CE . LYS B 346 ? 0.6112 0.7394 0.5667 0.1030 0.1112 0.2040 485 LYS C CE 5247 N NZ . LYS B 346 ? 0.5946 0.7215 0.5143 0.1201 0.1255 0.2023 485 LYS C NZ 5248 N N . TYR B 347 ? 0.4197 0.5342 0.4422 0.0884 0.0624 0.1869 486 TYR C N 5249 C CA . TYR B 347 ? 0.3563 0.4500 0.3625 0.1018 0.0615 0.1757 486 TYR C CA 5250 C C . TYR B 347 ? 0.3883 0.4977 0.4218 0.0985 0.0499 0.1849 486 TYR C C 5251 O O . TYR B 347 ? 0.4141 0.5386 0.4703 0.0801 0.0360 0.1922 486 TYR C O 5252 C CB . TYR B 347 ? 0.3576 0.4077 0.3285 0.0949 0.0532 0.1544 486 TYR C CB 5253 C CG . TYR B 347 ? 0.4079 0.4414 0.3501 0.0972 0.0606 0.1434 486 TYR C CG 5254 C CD1 . TYR B 347 ? 0.4512 0.4756 0.3706 0.1179 0.0744 0.1354 486 TYR C CD1 5255 C CD2 . TYR B 347 ? 0.4819 0.5079 0.4183 0.0799 0.0527 0.1401 486 TYR C CD2 5256 C CE1 . TYR B 347 ? 0.4870 0.4976 0.3776 0.1204 0.0787 0.1244 486 TYR C CE1 5257 C CE2 . TYR B 347 ? 0.4623 0.4756 0.3727 0.0830 0.0579 0.1312 486 TYR C CE2 5258 C CZ . TYR B 347 ? 0.4926 0.4993 0.3796 0.1028 0.0700 0.1233 486 TYR C CZ 5259 O OH . TYR B 347 ? 0.4797 0.4751 0.3384 0.1063 0.0728 0.1136 486 TYR C OH 5260 N N . LYS B 348 ? 0.4062 0.5105 0.4363 0.1171 0.0548 0.1840 487 LYS C N 5261 C CA . LYS B 348 ? 0.4204 0.5339 0.4689 0.1166 0.0426 0.1912 487 LYS C CA 5262 C C . LYS B 348 ? 0.5243 0.6099 0.5525 0.1358 0.0477 0.1833 487 LYS C C 5263 O O . LYS B 348 ? 0.5139 0.5870 0.5265 0.1547 0.0636 0.1772 487 LYS C O 5264 C CB . LYS B 348 ? 0.4651 0.6292 0.5589 0.1200 0.0434 0.2131 487 LYS C CB 5265 C CG . LYS B 348 ? 0.5609 0.7443 0.6658 0.1479 0.0627 0.2225 487 LYS C CG 5266 C CD . LYS B 348 ? 0.5361 0.7725 0.6914 0.1501 0.0600 0.2455 487 LYS C CD 5267 C CE . LYS B 348 ? 0.5776 0.8337 0.7450 0.1811 0.0797 0.2554 487 LYS C CE 5268 N NZ . LYS B 348 ? 0.5864 0.8983 0.8079 0.1837 0.0760 0.2791 487 LYS C NZ 5269 N N . VAL B 349 ? 0.4525 0.5265 0.4793 0.1313 0.0341 0.1835 488 VAL C N 5270 C CA . VAL B 349 ? 0.4771 0.5204 0.4857 0.1471 0.0378 0.1780 488 VAL C CA 5271 C C . VAL B 349 ? 0.4488 0.5172 0.4825 0.1681 0.0419 0.1943 488 VAL C C 5272 O O . VAL B 349 ? 0.5972 0.6999 0.6592 0.1632 0.0304 0.2093 488 VAL C O 5273 C CB . VAL B 349 ? 0.4707 0.4861 0.4615 0.1329 0.0231 0.1716 488 VAL C CB 5274 C CG1 . VAL B 349 ? 0.5238 0.5075 0.4999 0.1488 0.0277 0.1695 488 VAL C CG1 5275 C CG2 . VAL B 349 ? 0.4646 0.4559 0.4324 0.1144 0.0203 0.1557 488 VAL C CG2 5276 N N . VAL B 350 ? 0.5409 0.5918 0.5647 0.1919 0.0574 0.1906 489 VAL C N 5277 C CA . VAL B 350 ? 0.6012 0.6704 0.6467 0.2158 0.0630 0.2054 489 VAL C CA 5278 C C . VAL B 350 ? 0.6060 0.6295 0.6292 0.2306 0.0661 0.1984 489 VAL C C 5279 O O . VAL B 350 ? 0.5719 0.5509 0.5640 0.2269 0.0697 0.1800 489 VAL C O 5280 C CB . VAL B 350 ? 0.6351 0.7334 0.6973 0.2368 0.0826 0.2119 489 VAL C CB 5281 C CG1 . VAL B 350 ? 0.4728 0.6193 0.5637 0.2217 0.0804 0.2235 489 VAL C CG1 5282 C CG2 . VAL B 350 ? 0.6201 0.6807 0.6472 0.2488 0.0991 0.1920 489 VAL C CG2 5283 N N . GLN B 351 ? 0.5753 0.6103 0.6167 0.2470 0.0640 0.2140 490 GLN C N 5284 C CA . GLN B 351 ? 0.6244 0.6166 0.6483 0.2592 0.0669 0.2092 490 GLN C CA 5285 C C . GLN B 351 ? 0.6432 0.6322 0.6720 0.2863 0.0848 0.2073 490 GLN C C 5286 O O . GLN B 351 ? 0.7341 0.7659 0.7914 0.2976 0.0893 0.2206 490 GLN C O 5287 C CB . GLN B 351 ? 0.6542 0.6561 0.6877 0.2503 0.0503 0.2209 490 GLN C CB 5288 C CG . GLN B 351 ? 0.7580 0.7165 0.7746 0.2579 0.0524 0.2168 490 GLN C CG 5289 C CD . GLN B 351 ? 0.7664 0.7335 0.7868 0.2486 0.0359 0.2285 490 GLN C CD 5290 O OE1 . GLN B 351 ? 0.7275 0.7369 0.7665 0.2408 0.0227 0.2397 490 GLN C OE1 5291 N NE2 . GLN B 351 ? 0.8156 0.7423 0.8182 0.2490 0.0361 0.2257 490 GLN C NE2 5292 N N . ILE B 352 ? 0.7638 0.7015 0.7649 0.2953 0.0946 0.1899 491 ILE C N 5293 C CA . ILE B 352 ? 0.9041 0.8303 0.9033 0.3203 0.1111 0.1840 491 ILE C CA 5294 C C . ILE B 352 ? 0.9151 0.8250 0.9208 0.3286 0.1081 0.1910 491 ILE C C 5295 O O . ILE B 352 ? 0.9110 0.7894 0.9056 0.3164 0.0979 0.1894 491 ILE C O 5296 C CB . ILE B 352 ? 0.9322 0.8090 0.8967 0.3252 0.1216 0.1584 491 ILE C CB 5297 C CG1 . ILE B 352 ? 0.9288 0.8191 0.8830 0.3174 0.1240 0.1513 491 ILE C CG1 5298 C CG2 . ILE B 352 ? 0.9331 0.7989 0.8929 0.3507 0.1378 0.1504 491 ILE C CG2 5299 C CD1 . ILE B 352 ? 1.0096 0.8562 0.9278 0.3225 0.1327 0.1243 491 ILE C CD1 5300 N N . GLU B 353 ? 1.0518 0.9847 1.0763 0.3496 0.1175 0.1999 492 GLU C N 5301 C CA . GLU B 353 ? 1.1647 1.0823 1.1960 0.3614 0.1163 0.2072 492 GLU C CA 5302 C C . GLU B 353 ? 1.2207 1.1268 1.2504 0.3882 0.1341 0.2006 492 GLU C C 5303 O O . GLU B 353 ? 1.2457 1.1308 1.2547 0.3951 0.1462 0.1823 492 GLU C O 5304 C CB . GLU B 353 ? 1.1763 1.1425 1.2388 0.3582 0.1037 0.2310 492 GLU C CB 5305 C CG . GLU B 353 ? 1.2232 1.2494 1.3176 0.3691 0.1100 0.2445 492 GLU C CG 5306 C CD . GLU B 353 ? 1.2479 1.3130 1.3534 0.3517 0.1051 0.2475 492 GLU C CD 5307 O OE1 . GLU B 353 ? 1.2649 1.3055 1.3470 0.3402 0.1060 0.2333 492 GLU C OE1 5308 O OE2 . GLU B 353 ? 1.2353 1.3557 1.3746 0.3489 0.0995 0.2643 492 GLU C OE2 # 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 VAL 1 44 44 VAL VAL A . n A 1 2 TRP 2 45 45 TRP TRP A . n A 1 3 LYS 3 46 46 LYS LYS A . n A 1 4 ASP 4 47 47 ASP ASP A . n A 1 5 ALA 5 48 48 ALA ALA A . n A 1 6 ASP 6 49 49 ASP ASP A . n A 1 7 THR 7 50 50 THR THR A . n A 1 8 THR 8 51 51 THR THR A . n A 1 9 LEU 9 52 52 LEU LEU A . n A 1 10 PHE 10 53 53 PHE PHE A . n A 1 11 CYS 11 54 54 CYS CYS A . n A 1 12 ALA 12 55 55 ALA ALA A . n A 1 13 SER 13 56 56 SER SER A . n A 1 14 ASP 14 57 57 ASP ASP A . n A 1 15 ALA 15 58 58 ALA ALA A . n A 1 16 LYS 16 59 59 LYS LYS A . n A 1 17 ALA 17 60 60 ALA ALA A . n A 1 18 HIS 18 61 61 HIS HIS A . n A 1 19 GLU 19 62 62 GLU GLU A . n A 1 20 THR 20 63 63 THR THR A . n A 1 21 GLU 21 64 64 GLU GLU A . n A 1 22 VAL 22 65 65 VAL VAL A . n A 1 23 HIS 23 66 66 HIS HIS A . n A 1 24 ASN 24 67 67 ASN ASN A . n A 1 25 VAL 25 68 68 VAL VAL A . n A 1 26 TRP 26 69 69 TRP TRP A . n A 1 27 ALA 27 70 70 ALA ALA A . n A 1 28 THR 28 71 71 THR THR A . n A 1 29 HIS 29 72 72 HIS HIS A . n A 1 30 ALA 30 73 73 ALA ALA A . n A 1 31 CYS 31 74 74 CYS CYS A . n A 1 32 VAL 32 75 75 VAL VAL A . n A 1 33 PRO 33 76 76 PRO PRO A . n A 1 34 THR 34 77 77 THR THR A . n A 1 35 ASP 35 78 78 ASP ASP A . n A 1 36 PRO 36 79 79 PRO PRO A . n A 1 37 ASN 37 80 80 ASN ASN A . n A 1 38 PRO 38 81 81 PRO PRO A . n A 1 39 GLN 39 82 82 GLN GLN A . n A 1 40 GLU 40 83 83 GLU GLU A . n A 1 41 ILE 41 84 84 ILE ILE A . n A 1 42 HIS 42 85 85 HIS HIS A . n A 1 43 LEU 43 86 86 LEU LEU A . n A 1 44 GLU 44 87 87 GLU GLU A . n A 1 45 ASN 45 88 88 ASN ASN A . n A 1 46 VAL 46 89 89 VAL VAL A . n A 1 47 THR 47 90 90 THR THR A . n A 1 48 GLU 48 91 91 GLU GLU A . n A 1 49 ASN 49 92 92 ASN ASN A . n A 1 50 PHE 50 93 93 PHE PHE A . n A 1 51 ASN 51 94 94 ASN ASN A . n A 1 52 MET 52 95 95 MET MET A . n A 1 53 TRP 53 96 96 TRP TRP A . n A 1 54 LYS 54 97 97 LYS LYS A . n A 1 55 ASN 55 98 98 ASN ASN A . n A 1 56 ASN 56 99 99 ASN ASN A . n A 1 57 MET 57 100 100 MET MET A . n A 1 58 VAL 58 101 101 VAL VAL A . n A 1 59 GLU 59 102 102 GLU GLU A . n A 1 60 GLN 60 103 103 GLN GLN A . n A 1 61 MET 61 104 104 MET MET A . n A 1 62 GLN 62 105 105 GLN GLN A . n A 1 63 GLU 63 106 106 GLU GLU A . n A 1 64 ASP 64 107 107 ASP ASP A . n A 1 65 VAL 65 108 108 VAL VAL A . n A 1 66 ILE 66 109 109 ILE ILE A . n A 1 67 SER 67 110 110 SER SER A . n A 1 68 LEU 68 111 111 LEU LEU A . n A 1 69 TRP 69 112 112 TRP TRP A . n A 1 70 ASP 70 113 113 ASP ASP A . n A 1 71 GLN 71 114 114 GLN GLN A . n A 1 72 SER 72 115 115 SER SER A . n A 1 73 LEU 73 116 116 LEU LEU A . n A 1 74 GLN 74 117 117 GLN GLN A . n A 1 75 PRO 75 118 118 PRO PRO A . n A 1 76 CYS 76 119 119 CYS CYS A . n A 1 77 VAL 77 120 120 VAL VAL A . n A 1 78 LYS 78 121 121 LYS LYS A . n A 1 79 LEU 79 122 122 LEU LEU A . n A 1 80 THR 80 123 123 THR THR A . n A 1 81 GLY 81 124 124 GLY GLY A . n A 1 82 GLY 82 198 198 GLY GLY A . n A 1 83 SER 83 199 199 SER SER A . n A 1 84 VAL 84 200 200 VAL VAL A . n A 1 85 ILE 85 201 201 ILE ILE A . n A 1 86 LYS 86 202 202 LYS LYS A . n A 1 87 GLN 87 203 203 GLN GLN A . n A 1 88 ALA 88 204 204 ALA ALA A . n A 1 89 CYS 89 205 205 CYS CYS A . n A 1 90 PRO 90 206 206 PRO PRO A . n A 1 91 LYS 91 207 207 LYS LYS A . n A 1 92 ILE 92 208 208 ILE ILE A . n A 1 93 SER 93 209 209 SER SER A . n A 1 94 PHE 94 210 210 PHE PHE A . n A 1 95 ASP 95 211 211 ASP ASP A . n A 1 96 PRO 96 212 212 PRO PRO A . n A 1 97 ILE 97 213 213 ILE ILE A . n A 1 98 PRO 98 214 214 PRO PRO A . n A 1 99 ILE 99 215 215 ILE ILE A . n A 1 100 HIS 100 216 216 HIS HIS A . n A 1 101 TYR 101 217 217 TYR TYR A . n A 1 102 CYS 102 218 218 CYS CYS A . n A 1 103 THR 103 219 219 THR THR A . n A 1 104 PRO 104 220 220 PRO PRO A . n A 1 105 ALA 105 221 221 ALA ALA A . n A 1 106 GLY 106 222 222 GLY GLY A . n A 1 107 TYR 107 223 223 TYR TYR A . n A 1 108 VAL 108 224 224 VAL VAL A . n A 1 109 ILE 109 225 225 ILE ILE A . n A 1 110 LEU 110 226 226 LEU LEU A . n A 1 111 LYS 111 227 227 LYS LYS A . n A 1 112 CYS 112 228 228 CYS CYS A . n A 1 113 ASN 113 229 229 ASN ASN A . n A 1 114 ASP 114 230 230 ASP ASP A . n A 1 115 LYS 115 231 231 LYS LYS A . n A 1 116 ASN 116 232 232 ASN ASN A . n A 1 117 PHE 117 233 233 PHE PHE A . n A 1 118 ASN 118 234 234 ASN ASN A . n A 1 119 GLY 119 235 235 GLY GLY A . n A 1 120 THR 120 236 236 THR THR A . n A 1 121 GLY 121 237 237 GLY GLY A . n A 1 122 PRO 122 238 238 PRO PRO A . n A 1 123 CYS 123 239 239 CYS CYS A . n A 1 124 LYS 124 240 240 LYS LYS A . n A 1 125 ASN 125 241 241 ASN ASN A . n A 1 126 VAL 126 242 242 VAL VAL A . n A 1 127 SER 127 243 243 SER SER A . n A 1 128 SER 128 244 244 SER SER A . n A 1 129 VAL 129 245 245 VAL VAL A . n A 1 130 GLN 130 246 246 GLN GLN A . n A 1 131 CYS 131 247 247 CYS CYS A . n A 1 132 THR 132 248 248 THR THR A . n A 1 133 HIS 133 249 249 HIS HIS A . n A 1 134 GLY 134 250 250 GLY GLY A . n A 1 135 ILE 135 251 251 ILE ILE A . n A 1 136 LYS 136 252 252 LYS LYS A . n A 1 137 PRO 137 253 253 PRO PRO A . n A 1 138 VAL 138 254 254 VAL VAL A . n A 1 139 VAL 139 255 255 VAL VAL A . n A 1 140 SER 140 256 256 SER SER A . n A 1 141 THR 141 257 257 THR THR A . n A 1 142 GLN 142 258 258 GLN GLN A . n A 1 143 LEU 143 259 259 LEU LEU A . n A 1 144 LEU 144 260 260 LEU LEU A . n A 1 145 LEU 145 261 261 LEU LEU A . n A 1 146 ASN 146 262 262 ASN ASN A . n A 1 147 GLY 147 263 263 GLY GLY A . n A 1 148 SER 148 264 264 SER SER A . n A 1 149 LEU 149 265 265 LEU LEU A . n A 1 150 ALA 150 266 266 ALA ALA A . n A 1 151 GLU 151 267 267 GLU GLU A . n A 1 152 GLU 152 268 268 GLU GLU A . n A 1 153 GLU 153 269 269 GLU GLU A . n A 1 154 ILE 154 270 270 ILE ILE A . n A 1 155 ILE 155 271 271 ILE ILE A . n A 1 156 ILE 156 272 272 ILE ILE A . n A 1 157 ARG 157 273 273 ARG ARG A . n A 1 158 SER 158 274 274 SER SER A . n A 1 159 GLU 159 275 275 GLU GLU A . n A 1 160 ASN 160 276 276 ASN ASN A . n A 1 161 LEU 161 277 277 LEU LEU A . n A 1 162 THR 162 278 278 THR THR A . n A 1 163 ASN 163 279 279 ASN ASN A . n A 1 164 ASN 164 280 280 ASN ASN A . n A 1 165 ALA 165 281 281 ALA ALA A . n A 1 166 LYS 166 282 282 LYS LYS A . n A 1 167 THR 167 283 283 THR THR A . n A 1 168 ILE 168 284 284 ILE ILE A . n A 1 169 ILE 169 285 285 ILE ILE A . n A 1 170 VAL 170 286 286 VAL VAL A . n A 1 171 HIS 171 287 287 HIS HIS A . n A 1 172 LEU 172 288 288 LEU LEU A . n A 1 173 ASN 173 289 289 ASN ASN A . n A 1 174 LYS 174 290 290 LYS LYS A . n A 1 175 SER 175 291 291 SER SER A . n A 1 176 VAL 176 292 292 VAL VAL A . n A 1 177 GLU 177 293 293 GLU GLU A . n A 1 178 ILE 178 294 294 ILE ILE A . n A 1 179 ASN 179 295 295 ASN ASN A . n A 1 180 CYS 180 296 296 CYS CYS A . n A 1 181 THR 181 297 297 THR THR A . n A 1 182 ARG 182 298 298 ARG ARG A . n A 1 183 PRO 183 299 299 PRO PRO A . n A 1 184 SER 184 300 300 SER SER A . n A 1 185 ASN 185 301 301 ASN ASN A . n A 1 186 GLY 186 318 ? ? ? A . n A 1 187 GLY 187 319 ? ? ? A . n A 1 188 SER 188 320 ? ? ? A . n A 1 189 GLY 189 321 ? ? ? A . n A 1 190 SER 190 322 ? ? ? A . n A 1 191 GLY 191 323 ? ? ? A . n A 1 192 GLY 192 324 324 GLY GLY A . n A 1 193 ASP 193 325 325 ASP ASP A . n A 1 194 ILE 194 326 326 ILE ILE A . n A 1 195 ARG 195 327 327 ARG ARG A . n A 1 196 LYS 196 328 328 LYS LYS A . n A 1 197 ALA 197 329 329 ALA ALA A . n A 1 198 TYR 198 330 330 TYR TYR A . n A 1 199 CYS 199 331 331 CYS CYS A . n A 1 200 GLU 200 332 332 GLU GLU A . n A 1 201 ILE 201 333 333 ILE ILE A . n A 1 202 ASN 202 334 334 ASN ASN A . n A 1 203 GLY 203 335 335 GLY GLY A . n A 1 204 THR 204 336 336 THR THR A . n A 1 205 LYS 205 337 337 LYS LYS A . n A 1 206 TRP 206 338 338 TRP TRP A . n A 1 207 ASN 207 339 339 ASN ASN A . n A 1 208 LYS 208 340 340 LYS LYS A . n A 1 209 VAL 209 341 341 VAL VAL A . n A 1 210 LEU 210 342 342 LEU LEU A . n A 1 211 LYS 211 343 343 LYS LYS A . n A 1 212 GLN 212 344 344 GLN GLN A . n A 1 213 VAL 213 345 345 VAL VAL A . n A 1 214 THR 214 346 346 THR THR A . n A 1 215 GLU 215 347 347 GLU GLU A . n A 1 216 LYS 216 348 348 LYS LYS A . n A 1 217 LEU 217 349 349 LEU LEU A . n A 1 218 LYS 218 350 350 LYS LYS A . n A 1 219 GLU 219 351 351 GLU GLU A . n A 1 220 HIS 220 352 352 HIS HIS A . n A 1 221 PHE 221 353 353 PHE PHE A . n A 1 222 ASN 222 354 354 ASN ASN A . n A 1 223 ASN 223 355 355 ASN ASN A . n A 1 224 LYS 224 357 357 LYS LYS A . n A 1 225 THR 225 358 358 THR THR A . n A 1 226 ILE 226 359 359 ILE ILE A . n A 1 227 ILE 227 360 360 ILE ILE A . n A 1 228 PHE 228 361 361 PHE PHE A . n A 1 229 GLN 229 362 362 GLN GLN A . n A 1 230 PRO 230 363 363 PRO PRO A . n A 1 231 PRO 231 364 364 PRO PRO A . n A 1 232 SER 232 365 365 SER SER A . n A 1 233 GLY 233 366 366 GLY GLY A . n A 1 234 GLY 234 367 367 GLY GLY A . n A 1 235 ASP 235 368 368 ASP ASP A . n A 1 236 LEU 236 369 369 LEU LEU A . n A 1 237 GLU 237 370 370 GLU GLU A . n A 1 238 ILE 238 371 371 ILE ILE A . n A 1 239 THR 239 372 372 THR THR A . n A 1 240 MET 240 373 373 MET MET A . n A 1 241 HIS 241 374 374 HIS HIS A . n A 1 242 SER 242 375 375 SER SER A . n A 1 243 PHE 243 376 376 PHE PHE A . n A 1 244 ASN 244 377 377 ASN ASN A . n A 1 245 CYS 245 378 378 CYS CYS A . n A 1 246 ARG 246 379 379 ARG ARG A . n A 1 247 GLY 247 380 380 GLY GLY A . n A 1 248 GLU 248 381 381 GLU GLU A . n A 1 249 PHE 249 382 382 PHE PHE A . n A 1 250 PHE 250 383 383 PHE PHE A . n A 1 251 TYR 251 384 384 TYR TYR A . n A 1 252 CYS 252 385 385 CYS CYS A . n A 1 253 ASN 253 386 386 ASN ASN A . n A 1 254 THR 254 387 387 THR THR A . n A 1 255 THR 255 388 388 THR THR A . n A 1 256 GLN 256 389 389 GLN GLN A . n A 1 257 LEU 257 390 390 LEU LEU A . n A 1 258 PHE 258 391 391 PHE PHE A . n A 1 259 ASN 259 392 392 ASN ASN A . n A 1 260 ASN 260 393 393 ASN ASN A . n A 1 261 THR 261 394 394 THR THR A . n A 1 262 CYS 262 395 395 CYS CYS A . n A 1 263 ILE 263 396 396 ILE ILE A . n A 1 264 GLY 264 403 ? ? ? A . n A 1 265 ASN 265 404 ? ? ? A . n A 1 266 GLU 266 405 ? ? ? A . n A 1 267 THR 267 406 ? ? ? A . n A 1 268 MET 268 407 ? ? ? A . n A 1 269 LYS 269 408 ? ? ? A . n A 1 270 GLY 270 409 ? ? ? A . n A 1 271 CYS 271 410 ? ? ? A . n A 1 272 ASN 272 411 411 ASN ASN A . n A 1 273 GLY 273 412 412 GLY GLY A . n A 1 274 THR 274 413 413 THR THR A . n A 1 275 ILE 275 414 414 ILE ILE A . n A 1 276 THR 276 415 415 THR THR A . n A 1 277 LEU 277 416 416 LEU LEU A . n A 1 278 PRO 278 417 417 PRO PRO A . n A 1 279 CYS 279 418 418 CYS CYS A . n A 1 280 LYS 280 419 419 LYS LYS A . n A 1 281 ILE 281 420 420 ILE ILE A . n A 1 282 LYS 282 421 421 LYS LYS A . n A 1 283 GLN 283 422 422 GLN GLN A . n A 1 284 ILE 284 423 423 ILE ILE A . n A 1 285 ILE 285 424 424 ILE ILE A . n A 1 286 ASN 286 425 425 ASN ASN A . n A 1 287 MET 287 426 426 MET MET A . n A 1 288 TRP 288 427 427 TRP TRP A . n A 1 289 GLN 289 428 428 GLN GLN A . n A 1 290 GLY 290 429 429 GLY GLY A . n A 1 291 THR 291 430 430 THR THR A . n A 1 292 GLY 292 431 431 GLY GLY A . n A 1 293 GLN 293 432 432 GLN GLN A . n A 1 294 ALA 294 433 433 ALA ALA A . n A 1 295 MET 295 434 434 MET MET A . n A 1 296 TYR 296 435 435 TYR TYR A . n A 1 297 ALA 297 436 436 ALA ALA A . n A 1 298 PRO 298 437 437 PRO PRO A . n A 1 299 PRO 299 438 438 PRO PRO A . n A 1 300 ILE 300 439 439 ILE ILE A . n A 1 301 ASP 301 440 440 ASP ASP A . n A 1 302 GLY 302 441 441 GLY GLY A . n A 1 303 LYS 303 442 442 LYS LYS A . n A 1 304 ILE 304 443 443 ILE ILE A . n A 1 305 ASN 305 444 444 ASN ASN A . n A 1 306 CYS 306 445 445 CYS CYS A . n A 1 307 VAL 307 446 446 VAL VAL A . n A 1 308 SER 308 447 447 SER SER A . n A 1 309 ASN 309 448 448 ASN ASN A . n A 1 310 ILE 310 449 449 ILE ILE A . n A 1 311 THR 311 450 450 THR THR A . n A 1 312 GLY 312 451 451 GLY GLY A . n A 1 313 ILE 313 452 452 ILE ILE A . n A 1 314 LEU 314 453 453 LEU LEU A . n A 1 315 LEU 315 454 454 LEU LEU A . n A 1 316 THR 316 455 455 THR THR A . n A 1 317 ARG 317 456 456 ARG ARG A . n A 1 318 ASP 318 457 457 ASP ASP A . n A 1 319 GLY 319 458 458 GLY GLY A . n A 1 320 GLY 320 459 459 GLY GLY A . n A 1 321 ALA 321 460 460 ALA ALA A . n A 1 322 ASN 322 461 461 ASN ASN A . n A 1 323 ASN 323 462 462 ASN ASN A . n A 1 324 THR 324 463 463 THR THR A . n A 1 325 SER 325 464 464 SER SER A . n A 1 326 ASN 326 465 465 ASN ASN A . n A 1 327 GLU 327 466 466 GLU GLU A . n A 1 328 THR 328 467 467 THR THR A . n A 1 329 PHE 329 468 468 PHE PHE A . n A 1 330 ARG 330 469 469 ARG ARG A . n A 1 331 PRO 331 470 470 PRO PRO A . n A 1 332 GLY 332 471 471 GLY GLY A . n A 1 333 GLY 333 472 472 GLY GLY A . n A 1 334 GLY 334 473 473 GLY GLY A . n A 1 335 ASN 335 474 474 ASN ASN A . n A 1 336 ILE 336 475 475 ILE ILE A . n A 1 337 LYS 337 476 476 LYS LYS A . n A 1 338 ASP 338 477 477 ASP ASP A . n A 1 339 ASN 339 478 478 ASN ASN A . n A 1 340 TRP 340 479 479 TRP TRP A . n A 1 341 ARG 341 480 480 ARG ARG A . n A 1 342 SER 342 481 481 SER SER A . n A 1 343 GLU 343 482 482 GLU GLU A . n A 1 344 LEU 344 483 483 LEU LEU A . n A 1 345 TYR 345 484 484 TYR TYR A . n A 1 346 LYS 346 485 485 LYS LYS A . n A 1 347 TYR 347 486 486 TYR TYR A . n A 1 348 LYS 348 487 487 LYS LYS A . n A 1 349 VAL 349 488 488 VAL VAL A . n A 1 350 VAL 350 489 489 VAL VAL A . n A 1 351 GLN 351 490 490 GLN GLN A . n A 1 352 ILE 352 491 491 ILE ILE A . n A 1 353 GLU 353 492 492 GLU GLU A . n B 1 1 VAL 1 44 44 VAL VAL C . n B 1 2 TRP 2 45 45 TRP TRP C . n B 1 3 LYS 3 46 46 LYS LYS C . n B 1 4 ASP 4 47 47 ASP ASP C . n B 1 5 ALA 5 48 48 ALA ALA C . n B 1 6 ASP 6 49 49 ASP ASP C . n B 1 7 THR 7 50 50 THR THR C . n B 1 8 THR 8 51 51 THR THR C . n B 1 9 LEU 9 52 52 LEU LEU C . n B 1 10 PHE 10 53 53 PHE PHE C . n B 1 11 CYS 11 54 54 CYS CYS C . n B 1 12 ALA 12 55 55 ALA ALA C . n B 1 13 SER 13 56 56 SER SER C . n B 1 14 ASP 14 57 57 ASP ASP C . n B 1 15 ALA 15 58 58 ALA ALA C . n B 1 16 LYS 16 59 59 LYS LYS C . n B 1 17 ALA 17 60 60 ALA ALA C . n B 1 18 HIS 18 61 61 HIS HIS C . n B 1 19 GLU 19 62 62 GLU GLU C . n B 1 20 THR 20 63 63 THR THR C . n B 1 21 GLU 21 64 64 GLU GLU C . n B 1 22 VAL 22 65 65 VAL VAL C . n B 1 23 HIS 23 66 66 HIS HIS C . n B 1 24 ASN 24 67 67 ASN ASN C . n B 1 25 VAL 25 68 68 VAL VAL C . n B 1 26 TRP 26 69 69 TRP TRP C . n B 1 27 ALA 27 70 70 ALA ALA C . n B 1 28 THR 28 71 71 THR THR C . n B 1 29 HIS 29 72 72 HIS HIS C . n B 1 30 ALA 30 73 73 ALA ALA C . n B 1 31 CYS 31 74 74 CYS CYS C . n B 1 32 VAL 32 75 75 VAL VAL C . n B 1 33 PRO 33 76 76 PRO PRO C . n B 1 34 THR 34 77 77 THR THR C . n B 1 35 ASP 35 78 78 ASP ASP C . n B 1 36 PRO 36 79 79 PRO PRO C . n B 1 37 ASN 37 80 80 ASN ASN C . n B 1 38 PRO 38 81 81 PRO PRO C . n B 1 39 GLN 39 82 82 GLN GLN C . n B 1 40 GLU 40 83 83 GLU GLU C . n B 1 41 ILE 41 84 84 ILE ILE C . n B 1 42 HIS 42 85 85 HIS HIS C . n B 1 43 LEU 43 86 86 LEU LEU C . n B 1 44 GLU 44 87 87 GLU GLU C . n B 1 45 ASN 45 88 88 ASN ASN C . n B 1 46 VAL 46 89 89 VAL VAL C . n B 1 47 THR 47 90 90 THR THR C . n B 1 48 GLU 48 91 91 GLU GLU C . n B 1 49 ASN 49 92 92 ASN ASN C . n B 1 50 PHE 50 93 93 PHE PHE C . n B 1 51 ASN 51 94 94 ASN ASN C . n B 1 52 MET 52 95 95 MET MET C . n B 1 53 TRP 53 96 96 TRP TRP C . n B 1 54 LYS 54 97 97 LYS LYS C . n B 1 55 ASN 55 98 98 ASN ASN C . n B 1 56 ASN 56 99 99 ASN ASN C . n B 1 57 MET 57 100 100 MET MET C . n B 1 58 VAL 58 101 101 VAL VAL C . n B 1 59 GLU 59 102 102 GLU GLU C . n B 1 60 GLN 60 103 103 GLN GLN C . n B 1 61 MET 61 104 104 MET MET C . n B 1 62 GLN 62 105 105 GLN GLN C . n B 1 63 GLU 63 106 106 GLU GLU C . n B 1 64 ASP 64 107 107 ASP ASP C . n B 1 65 VAL 65 108 108 VAL VAL C . n B 1 66 ILE 66 109 109 ILE ILE C . n B 1 67 SER 67 110 110 SER SER C . n B 1 68 LEU 68 111 111 LEU LEU C . n B 1 69 TRP 69 112 112 TRP TRP C . n B 1 70 ASP 70 113 113 ASP ASP C . n B 1 71 GLN 71 114 114 GLN GLN C . n B 1 72 SER 72 115 115 SER SER C . n B 1 73 LEU 73 116 116 LEU LEU C . n B 1 74 GLN 74 117 117 GLN GLN C . n B 1 75 PRO 75 118 118 PRO PRO C . n B 1 76 CYS 76 119 119 CYS CYS C . n B 1 77 VAL 77 120 120 VAL VAL C . n B 1 78 LYS 78 121 121 LYS LYS C . n B 1 79 LEU 79 122 122 LEU LEU C . n B 1 80 THR 80 123 123 THR THR C . n B 1 81 GLY 81 124 124 GLY GLY C . n B 1 82 GLY 82 198 198 GLY GLY C . n B 1 83 SER 83 199 199 SER SER C . n B 1 84 VAL 84 200 200 VAL VAL C . n B 1 85 ILE 85 201 201 ILE ILE C . n B 1 86 LYS 86 202 202 LYS LYS C . n B 1 87 GLN 87 203 203 GLN GLN C . n B 1 88 ALA 88 204 204 ALA ALA C . n B 1 89 CYS 89 205 205 CYS CYS C . n B 1 90 PRO 90 206 206 PRO PRO C . n B 1 91 LYS 91 207 207 LYS LYS C . n B 1 92 ILE 92 208 208 ILE ILE C . n B 1 93 SER 93 209 209 SER SER C . n B 1 94 PHE 94 210 210 PHE PHE C . n B 1 95 ASP 95 211 211 ASP ASP C . n B 1 96 PRO 96 212 212 PRO PRO C . n B 1 97 ILE 97 213 213 ILE ILE C . n B 1 98 PRO 98 214 214 PRO PRO C . n B 1 99 ILE 99 215 215 ILE ILE C . n B 1 100 HIS 100 216 216 HIS HIS C . n B 1 101 TYR 101 217 217 TYR TYR C . n B 1 102 CYS 102 218 218 CYS CYS C . n B 1 103 THR 103 219 219 THR THR C . n B 1 104 PRO 104 220 220 PRO PRO C . n B 1 105 ALA 105 221 221 ALA ALA C . n B 1 106 GLY 106 222 222 GLY GLY C . n B 1 107 TYR 107 223 223 TYR TYR C . n B 1 108 VAL 108 224 224 VAL VAL C . n B 1 109 ILE 109 225 225 ILE ILE C . n B 1 110 LEU 110 226 226 LEU LEU C . n B 1 111 LYS 111 227 227 LYS LYS C . n B 1 112 CYS 112 228 228 CYS CYS C . n B 1 113 ASN 113 229 229 ASN ASN C . n B 1 114 ASP 114 230 230 ASP ASP C . n B 1 115 LYS 115 231 231 LYS LYS C . n B 1 116 ASN 116 232 232 ASN ASN C . n B 1 117 PHE 117 233 233 PHE PHE C . n B 1 118 ASN 118 234 234 ASN ASN C . n B 1 119 GLY 119 235 235 GLY GLY C . n B 1 120 THR 120 236 236 THR THR C . n B 1 121 GLY 121 237 237 GLY GLY C . n B 1 122 PRO 122 238 238 PRO PRO C . n B 1 123 CYS 123 239 239 CYS CYS C . n B 1 124 LYS 124 240 240 LYS LYS C . n B 1 125 ASN 125 241 241 ASN ASN C . n B 1 126 VAL 126 242 242 VAL VAL C . n B 1 127 SER 127 243 243 SER SER C . n B 1 128 SER 128 244 244 SER SER C . n B 1 129 VAL 129 245 245 VAL VAL C . n B 1 130 GLN 130 246 246 GLN GLN C . n B 1 131 CYS 131 247 247 CYS CYS C . n B 1 132 THR 132 248 248 THR THR C . n B 1 133 HIS 133 249 249 HIS HIS C . n B 1 134 GLY 134 250 250 GLY GLY C . n B 1 135 ILE 135 251 251 ILE ILE C . n B 1 136 LYS 136 252 252 LYS LYS C . n B 1 137 PRO 137 253 253 PRO PRO C . n B 1 138 VAL 138 254 254 VAL VAL C . n B 1 139 VAL 139 255 255 VAL VAL C . n B 1 140 SER 140 256 256 SER SER C . n B 1 141 THR 141 257 257 THR THR C . n B 1 142 GLN 142 258 258 GLN GLN C . n B 1 143 LEU 143 259 259 LEU LEU C . n B 1 144 LEU 144 260 260 LEU LEU C . n B 1 145 LEU 145 261 261 LEU LEU C . n B 1 146 ASN 146 262 262 ASN ASN C . n B 1 147 GLY 147 263 263 GLY GLY C . n B 1 148 SER 148 264 264 SER SER C . n B 1 149 LEU 149 265 265 LEU LEU C . n B 1 150 ALA 150 266 266 ALA ALA C . n B 1 151 GLU 151 267 267 GLU GLU C . n B 1 152 GLU 152 268 268 GLU GLU C . n B 1 153 GLU 153 269 269 GLU GLU C . n B 1 154 ILE 154 270 270 ILE ILE C . n B 1 155 ILE 155 271 271 ILE ILE C . n B 1 156 ILE 156 272 272 ILE ILE C . n B 1 157 ARG 157 273 273 ARG ARG C . n B 1 158 SER 158 274 274 SER SER C . n B 1 159 GLU 159 275 275 GLU GLU C . n B 1 160 ASN 160 276 276 ASN ASN C . n B 1 161 LEU 161 277 277 LEU LEU C . n B 1 162 THR 162 278 278 THR THR C . n B 1 163 ASN 163 279 279 ASN ASN C . n B 1 164 ASN 164 280 280 ASN ASN C . n B 1 165 ALA 165 281 281 ALA ALA C . n B 1 166 LYS 166 282 282 LYS LYS C . n B 1 167 THR 167 283 283 THR THR C . n B 1 168 ILE 168 284 284 ILE ILE C . n B 1 169 ILE 169 285 285 ILE ILE C . n B 1 170 VAL 170 286 286 VAL VAL C . n B 1 171 HIS 171 287 287 HIS HIS C . n B 1 172 LEU 172 288 288 LEU LEU C . n B 1 173 ASN 173 289 289 ASN ASN C . n B 1 174 LYS 174 290 290 LYS LYS C . n B 1 175 SER 175 291 291 SER SER C . n B 1 176 VAL 176 292 292 VAL VAL C . n B 1 177 GLU 177 293 293 GLU GLU C . n B 1 178 ILE 178 294 294 ILE ILE C . n B 1 179 ASN 179 295 295 ASN ASN C . n B 1 180 CYS 180 296 296 CYS CYS C . n B 1 181 THR 181 297 297 THR THR C . n B 1 182 ARG 182 298 298 ARG ARG C . n B 1 183 PRO 183 299 299 PRO PRO C . n B 1 184 SER 184 300 300 SER SER C . n B 1 185 ASN 185 301 301 ASN ASN C . n B 1 186 GLY 186 318 ? ? ? C . n B 1 187 GLY 187 319 ? ? ? C . n B 1 188 SER 188 320 ? ? ? C . n B 1 189 GLY 189 321 ? ? ? C . n B 1 190 SER 190 322 ? ? ? C . n B 1 191 GLY 191 323 ? ? ? C . n B 1 192 GLY 192 324 324 GLY GLY C . n B 1 193 ASP 193 325 325 ASP ASP C . n B 1 194 ILE 194 326 326 ILE ILE C . n B 1 195 ARG 195 327 327 ARG ARG C . n B 1 196 LYS 196 328 328 LYS LYS C . n B 1 197 ALA 197 329 329 ALA ALA C . n B 1 198 TYR 198 330 330 TYR TYR C . n B 1 199 CYS 199 331 331 CYS CYS C . n B 1 200 GLU 200 332 332 GLU GLU C . n B 1 201 ILE 201 333 333 ILE ILE C . n B 1 202 ASN 202 334 334 ASN ASN C . n B 1 203 GLY 203 335 335 GLY GLY C . n B 1 204 THR 204 336 336 THR THR C . n B 1 205 LYS 205 337 337 LYS LYS C . n B 1 206 TRP 206 338 338 TRP TRP C . n B 1 207 ASN 207 339 339 ASN ASN C . n B 1 208 LYS 208 340 340 LYS LYS C . n B 1 209 VAL 209 341 341 VAL VAL C . n B 1 210 LEU 210 342 342 LEU LEU C . n B 1 211 LYS 211 343 343 LYS LYS C . n B 1 212 GLN 212 344 344 GLN GLN C . n B 1 213 VAL 213 345 345 VAL VAL C . n B 1 214 THR 214 346 346 THR THR C . n B 1 215 GLU 215 347 347 GLU GLU C . n B 1 216 LYS 216 348 348 LYS LYS C . n B 1 217 LEU 217 349 349 LEU LEU C . n B 1 218 LYS 218 350 350 LYS LYS C . n B 1 219 GLU 219 351 351 GLU GLU C . n B 1 220 HIS 220 352 352 HIS HIS C . n B 1 221 PHE 221 353 353 PHE PHE C . n B 1 222 ASN 222 354 354 ASN ASN C . n B 1 223 ASN 223 355 355 ASN ASN C . n B 1 224 LYS 224 357 357 LYS LYS C . n B 1 225 THR 225 358 358 THR THR C . n B 1 226 ILE 226 359 359 ILE ILE C . n B 1 227 ILE 227 360 360 ILE ILE C . n B 1 228 PHE 228 361 361 PHE PHE C . n B 1 229 GLN 229 362 362 GLN GLN C . n B 1 230 PRO 230 363 363 PRO PRO C . n B 1 231 PRO 231 364 364 PRO PRO C . n B 1 232 SER 232 365 365 SER SER C . n B 1 233 GLY 233 366 366 GLY GLY C . n B 1 234 GLY 234 367 367 GLY GLY C . n B 1 235 ASP 235 368 368 ASP ASP C . n B 1 236 LEU 236 369 369 LEU LEU C . n B 1 237 GLU 237 370 370 GLU GLU C . n B 1 238 ILE 238 371 371 ILE ILE C . n B 1 239 THR 239 372 372 THR THR C . n B 1 240 MET 240 373 373 MET MET C . n B 1 241 HIS 241 374 374 HIS HIS C . n B 1 242 SER 242 375 375 SER SER C . n B 1 243 PHE 243 376 376 PHE PHE C . n B 1 244 ASN 244 377 377 ASN ASN C . n B 1 245 CYS 245 378 378 CYS CYS C . n B 1 246 ARG 246 379 379 ARG ARG C . n B 1 247 GLY 247 380 380 GLY GLY C . n B 1 248 GLU 248 381 381 GLU GLU C . n B 1 249 PHE 249 382 382 PHE PHE C . n B 1 250 PHE 250 383 383 PHE PHE C . n B 1 251 TYR 251 384 384 TYR TYR C . n B 1 252 CYS 252 385 385 CYS CYS C . n B 1 253 ASN 253 386 386 ASN ASN C . n B 1 254 THR 254 387 387 THR THR C . n B 1 255 THR 255 388 388 THR THR C . n B 1 256 GLN 256 389 389 GLN GLN C . n B 1 257 LEU 257 390 390 LEU LEU C . n B 1 258 PHE 258 391 391 PHE PHE C . n B 1 259 ASN 259 392 392 ASN ASN C . n B 1 260 ASN 260 393 393 ASN ASN C . n B 1 261 THR 261 394 394 THR THR C . n B 1 262 CYS 262 395 395 CYS CYS C . n B 1 263 ILE 263 396 396 ILE ILE C . n B 1 264 GLY 264 403 ? ? ? C . n B 1 265 ASN 265 404 ? ? ? C . n B 1 266 GLU 266 405 ? ? ? C . n B 1 267 THR 267 406 ? ? ? C . n B 1 268 MET 268 407 ? ? ? C . n B 1 269 LYS 269 408 ? ? ? C . n B 1 270 GLY 270 409 ? ? ? C . n B 1 271 CYS 271 410 ? ? ? C . n B 1 272 ASN 272 411 411 ASN ASN C . n B 1 273 GLY 273 412 412 GLY GLY C . n B 1 274 THR 274 413 413 THR THR C . n B 1 275 ILE 275 414 414 ILE ILE C . n B 1 276 THR 276 415 415 THR THR C . n B 1 277 LEU 277 416 416 LEU LEU C . n B 1 278 PRO 278 417 417 PRO PRO C . n B 1 279 CYS 279 418 418 CYS CYS C . n B 1 280 LYS 280 419 419 LYS LYS C . n B 1 281 ILE 281 420 420 ILE ILE C . n B 1 282 LYS 282 421 421 LYS LYS C . n B 1 283 GLN 283 422 422 GLN GLN C . n B 1 284 ILE 284 423 423 ILE ILE C . n B 1 285 ILE 285 424 424 ILE ILE C . n B 1 286 ASN 286 425 425 ASN ASN C . n B 1 287 MET 287 426 426 MET MET C . n B 1 288 TRP 288 427 427 TRP TRP C . n B 1 289 GLN 289 428 428 GLN GLN C . n B 1 290 GLY 290 429 429 GLY GLY C . n B 1 291 THR 291 430 430 THR THR C . n B 1 292 GLY 292 431 431 GLY GLY C . n B 1 293 GLN 293 432 432 GLN GLN C . n B 1 294 ALA 294 433 433 ALA ALA C . n B 1 295 MET 295 434 434 MET MET C . n B 1 296 TYR 296 435 435 TYR TYR C . n B 1 297 ALA 297 436 436 ALA ALA C . n B 1 298 PRO 298 437 437 PRO PRO C . n B 1 299 PRO 299 438 438 PRO PRO C . n B 1 300 ILE 300 439 439 ILE ILE C . n B 1 301 ASP 301 440 440 ASP ASP C . n B 1 302 GLY 302 441 441 GLY GLY C . n B 1 303 LYS 303 442 442 LYS LYS C . n B 1 304 ILE 304 443 443 ILE ILE C . n B 1 305 ASN 305 444 444 ASN ASN C . n B 1 306 CYS 306 445 445 CYS CYS C . n B 1 307 VAL 307 446 446 VAL VAL C . n B 1 308 SER 308 447 447 SER SER C . n B 1 309 ASN 309 448 448 ASN ASN C . n B 1 310 ILE 310 449 449 ILE ILE C . n B 1 311 THR 311 450 450 THR THR C . n B 1 312 GLY 312 451 451 GLY GLY C . n B 1 313 ILE 313 452 452 ILE ILE C . n B 1 314 LEU 314 453 453 LEU LEU C . n B 1 315 LEU 315 454 454 LEU LEU C . n B 1 316 THR 316 455 455 THR THR C . n B 1 317 ARG 317 456 456 ARG ARG C . n B 1 318 ASP 318 457 457 ASP ASP C . n B 1 319 GLY 319 458 458 GLY GLY C . n B 1 320 GLY 320 459 459 GLY GLY C . n B 1 321 ALA 321 460 460 ALA ALA C . n B 1 322 ASN 322 461 461 ASN ASN C . n B 1 323 ASN 323 462 462 ASN ASN C . n B 1 324 THR 324 463 463 THR THR C . n B 1 325 SER 325 464 464 SER SER C . n B 1 326 ASN 326 465 465 ASN ASN C . n B 1 327 GLU 327 466 466 GLU GLU C . n B 1 328 THR 328 467 467 THR THR C . n B 1 329 PHE 329 468 468 PHE PHE C . n B 1 330 ARG 330 469 469 ARG ARG C . n B 1 331 PRO 331 470 470 PRO PRO C . n B 1 332 GLY 332 471 471 GLY GLY C . n B 1 333 GLY 333 472 472 GLY GLY C . n B 1 334 GLY 334 473 473 GLY GLY C . n B 1 335 ASN 335 474 474 ASN ASN C . n B 1 336 ILE 336 475 475 ILE ILE C . n B 1 337 LYS 337 476 476 LYS LYS C . n B 1 338 ASP 338 477 477 ASP ASP C . n B 1 339 ASN 339 478 478 ASN ASN C . n B 1 340 TRP 340 479 479 TRP TRP C . n B 1 341 ARG 341 480 480 ARG ARG C . n B 1 342 SER 342 481 481 SER SER C . n B 1 343 GLU 343 482 482 GLU GLU C . n B 1 344 LEU 344 483 483 LEU LEU C . n B 1 345 TYR 345 484 484 TYR TYR C . n B 1 346 LYS 346 485 485 LYS LYS C . n B 1 347 TYR 347 486 486 TYR TYR C . n B 1 348 LYS 348 487 487 LYS LYS C . n B 1 349 VAL 349 488 488 VAL VAL C . n B 1 350 VAL 350 489 489 VAL VAL C . n B 1 351 GLN 351 490 490 GLN GLN C . n B 1 352 ILE 352 491 491 ILE ILE C . n B 1 353 GLU 353 492 492 GLU GLU C . n # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 223 A ASN 355 ? ASN 'GLYCOSYLATION SITE' 2 B ASN 179 C ASN 295 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 259 A ASN 392 ? ASN 'GLYCOSYLATION SITE' 4 A ASN 118 A ASN 234 ? ASN 'GLYCOSYLATION SITE' 5 B ASN 309 C ASN 448 ? ASN 'GLYCOSYLATION SITE' 6 B ASN 223 C ASN 355 ? ASN 'GLYCOSYLATION SITE' 7 A ASN 309 A ASN 448 ? ASN 'GLYCOSYLATION SITE' 8 A ASN 253 A ASN 386 ? ASN 'GLYCOSYLATION SITE' 9 B ASN 259 C ASN 392 ? ASN 'GLYCOSYLATION SITE' 10 B ASN 253 C ASN 386 ? ASN 'GLYCOSYLATION SITE' 11 A ASN 179 A ASN 295 ? ASN 'GLYCOSYLATION SITE' 12 A ASN 125 A ASN 241 ? ASN 'GLYCOSYLATION SITE' 13 B ASN 118 C ASN 234 ? ASN 'GLYCOSYLATION SITE' 14 A ASN 160 A ASN 276 ? ASN 'GLYCOSYLATION SITE' 15 B ASN 160 C ASN 276 ? ASN 'GLYCOSYLATION SITE' 16 B ASN 146 C ASN 262 ? ASN 'GLYCOSYLATION SITE' 17 B ASN 202 C ASN 334 ? ASN 'GLYCOSYLATION SITE' 18 A ASN 173 A ASN 289 ? ASN 'GLYCOSYLATION SITE' 19 B ASN 173 C ASN 289 ? ASN 'GLYCOSYLATION SITE' 20 A ASN 202 A ASN 334 ? ASN 'GLYCOSYLATION SITE' 21 A ASN 146 A ASN 262 ? ASN 'GLYCOSYLATION SITE' 22 B ASN 125 C ASN 241 ? ASN 'GLYCOSYLATION SITE' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_and_software_defined_assembly PISA monomeric 1 2 author_and_software_defined_assembly PISA monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C,D,E,F,G,H,I,J,K,L,M,N,O,CA 2 1 B,P,Q,R,S,T,U,V,W,X,Y,Z,AA,BA,DA # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2012-05-02 2 'Structure model' 1 1 2012-05-09 3 'Structure model' 1 2 2012-06-20 # _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' 'Source and taxonomy' 2 3 'Structure model' 'Database references' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined 18.1654 2.4483 39.4528 0.0925 0.1244 0.1700 0.0067 0.0243 -0.0216 1.7277 2.2957 2.2205 -0.0998 0.6526 -0.4202 -0.0421 0.0600 0.1113 -0.0331 -0.0293 -0.0253 -0.1624 -0.1087 0.0458 'X-RAY DIFFRACTION' 2 ? refined 14.7032 -19.7398 40.9047 0.1286 0.1818 0.1664 -0.0083 0.0395 -0.0164 1.3864 1.4449 1.6900 -0.1283 1.1945 -0.0732 0.0188 -0.0985 -0.0420 -0.0124 -0.0092 0.0009 0.1953 -0.1822 -0.0263 'X-RAY DIFFRACTION' 3 ? refined -12.3147 -16.1686 9.3841 0.3233 0.2265 0.2047 0.0180 -0.0044 0.0846 2.9001 2.5583 2.3061 -0.9043 0.0204 -0.7017 -0.0203 -0.1341 0.0809 0.0604 0.2575 0.3208 -0.2458 -0.4338 -0.1665 'X-RAY DIFFRACTION' 4 ? refined -11.3052 -38.3001 12.7953 0.4484 0.2641 0.3544 -0.1314 -0.0972 0.1375 1.6379 2.4852 2.3635 -0.7457 -0.2801 -0.0195 0.0165 -0.1421 -0.5717 -0.0938 0.2517 0.5672 0.5248 -0.4632 -0.0744 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? 'chain A and (resid 44:252 or resid 474:492)' 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? 'chain A and resid 253:473' 'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? 'chain C and (resid 44:252 or resid 474:492)' 'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? 'chain C and resid 253:473' # 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 REFMAC . ? program 'Garib N. Murshudov' garib@ysbl.york.ac.uk refinement http://www.ccp4.ac.uk/dist/html/refmac5.html Fortran_77 ? 2 PDB_EXTRACT 3.10 'June 10, 2010' package PDB deposit@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 3 HKL-2000 . ? ? ? ? 'data collection' ? ? ? 4 HKL-2000 . ? ? ? ? 'data reduction' ? ? ? 5 HKL-2000 . ? ? ? ? 'data scaling' ? ? ? 6 PHASES . ? ? ? ? phasing ? ? ? 7 PHENIX 1.7.3_928 ? ? ? ? refinement ? ? ? # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O A GLY 471 ? ? O A HOH 659 ? ? 1.94 2 1 O A HOH 673 ? ? O A HOH 771 ? ? 1.97 3 1 O C HOH 725 ? ? O C HOH 749 ? ? 2.01 4 1 OE1 A GLN 246 ? ? O A HOH 681 ? ? 2.05 5 1 ND2 A ASN 448 ? ? C2 A NAG 511 ? ? 2.07 6 1 ND2 A ASN 461 ? ? O A HOH 889 ? ? 2.07 7 1 ND2 A ASN 355 ? ? C2 A NAG 508 ? ? 2.09 8 1 O A HOH 784 ? ? O A HOH 896 ? ? 2.11 9 1 O A LYS 240 ? ? O A HOH 766 ? ? 2.11 10 1 O A HOH 872 ? ? O A HOH 891 ? ? 2.12 11 1 OE1 A GLN 344 ? ? O A HOH 682 ? ? 2.12 12 1 O6 A NAG 508 ? ? O A HOH 874 ? ? 2.14 13 1 ND2 C ASN 289 ? ? C2 C NAG 505 ? ? 2.15 14 1 O A HOH 781 ? ? O A HOH 842 ? ? 2.15 15 1 OE1 A GLN 432 ? ? O A HOH 886 ? ? 2.15 16 1 NZ A LYS 350 ? ? O A HOH 622 ? ? 2.17 17 1 O A HOH 770 ? ? O A HOH 847 ? ? 2.17 18 1 ND2 A ASN 241 ? ? C2 A NAG 502 ? ? 2.18 19 1 O C HOH 710 ? ? O C HOH 744 ? ? 2.18 20 1 ND2 A ASN 289 ? ? C2 A NAG 505 ? ? 2.18 21 1 OD1 C ASP 477 ? ? O C HOH 780 ? ? 2.19 22 1 ND2 C ASN 448 ? ? C2 C NAG 511 ? ? 2.19 23 1 O A PHE 391 ? ? O A HOH 698 ? ? 2.19 # 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 LEU A 122 ? ? -116.61 75.86 2 1 ASP A 211 ? ? -167.56 105.88 3 1 GLN A 258 ? ? 65.33 -58.16 4 1 GLU A 268 ? ? -110.37 -97.01 5 1 ASN A 276 ? ? -165.46 97.89 6 1 PHE A 391 ? ? -100.07 77.58 7 1 ASP C 211 ? ? -162.58 108.13 8 1 GLN C 258 ? ? 64.48 -58.91 9 1 GLU C 268 ? ? -120.79 -101.63 10 1 ASN C 276 ? ? -163.44 93.49 11 1 PHE C 391 ? ? -115.64 58.32 12 1 ASN C 474 ? ? -65.22 91.47 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 N 1 C EPE 512 ? O2S ? AA EPE 1 O2S 2 1 N 1 C EPE 512 ? O3S ? AA EPE 1 O3S # 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 GLY 318 ? A GLY 186 2 1 Y 1 A GLY 319 ? A GLY 187 3 1 Y 1 A SER 320 ? A SER 188 4 1 Y 1 A GLY 321 ? A GLY 189 5 1 Y 1 A SER 322 ? A SER 190 6 1 Y 1 A GLY 323 ? A GLY 191 7 1 Y 1 A GLY 403 ? A GLY 264 8 1 Y 1 A ASN 404 ? A ASN 265 9 1 Y 1 A GLU 405 ? A GLU 266 10 1 Y 1 A THR 406 ? A THR 267 11 1 Y 1 A MET 407 ? A MET 268 12 1 Y 1 A LYS 408 ? A LYS 269 13 1 Y 1 A GLY 409 ? A GLY 270 14 1 Y 1 A CYS 410 ? A CYS 271 15 1 Y 1 C GLY 318 ? B GLY 186 16 1 Y 1 C GLY 319 ? B GLY 187 17 1 Y 1 C SER 320 ? B SER 188 18 1 Y 1 C GLY 321 ? B GLY 189 19 1 Y 1 C SER 322 ? B SER 190 20 1 Y 1 C GLY 323 ? B GLY 191 21 1 Y 1 C GLY 403 ? B GLY 264 22 1 Y 1 C ASN 404 ? B ASN 265 23 1 Y 1 C GLU 405 ? B GLU 266 24 1 Y 1 C THR 406 ? B THR 267 25 1 Y 1 C MET 407 ? B MET 268 26 1 Y 1 C LYS 408 ? B LYS 269 27 1 Y 1 C GLY 409 ? B GLY 270 28 1 Y 1 C CYS 410 ? B CYS 271 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' EPE 4 "N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide" 0LL 5 water HOH # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 2 NAG 1 501 734 NAG NAG A . D 2 NAG 1 502 741 NAG NAG A . E 2 NAG 1 503 762 NAG NAG A . F 2 NAG 1 504 776 NAG NAG A . G 2 NAG 1 505 789 NAG NAG A . H 2 NAG 1 506 795 NAG NAG A . I 2 NAG 1 507 834 NAG NAG A . J 2 NAG 1 508 855 NAG NAG A . K 2 NAG 1 509 886 NAG NAG A . L 2 NAG 1 510 892 NAG NAG A . M 2 NAG 1 511 948 NAG NAG A . N 3 EPE 1 512 1 EPE EPE A . O 4 0LL 1 513 1 0LL LIG A . P 2 NAG 1 501 734 NAG NAG C . Q 2 NAG 1 502 741 NAG NAG C . R 2 NAG 1 503 762 NAG NAG C . S 2 NAG 1 504 776 NAG NAG C . T 2 NAG 1 505 789 NAG NAG C . U 2 NAG 1 506 795 NAG NAG C . V 2 NAG 1 507 834 NAG NAG C . W 2 NAG 1 508 855 NAG NAG C . X 2 NAG 1 509 886 NAG NAG C . Y 2 NAG 1 510 892 NAG NAG C . Z 2 NAG 1 511 948 NAG NAG C . AA 3 EPE 1 512 1 EPE EPE C . BA 4 0LL 1 513 1 0LL LIG C . CA 5 HOH 1 601 1 HOH HOH A . CA 5 HOH 2 602 2 HOH HOH A . CA 5 HOH 3 603 4 HOH HOH A . CA 5 HOH 4 604 6 HOH HOH A . CA 5 HOH 5 605 7 HOH HOH A . CA 5 HOH 6 606 8 HOH HOH A . CA 5 HOH 7 607 10 HOH HOH A . CA 5 HOH 8 608 11 HOH HOH A . CA 5 HOH 9 609 12 HOH HOH A . CA 5 HOH 10 610 13 HOH HOH A . CA 5 HOH 11 611 14 HOH HOH A . CA 5 HOH 12 612 16 HOH HOH A . CA 5 HOH 13 613 17 HOH HOH A . CA 5 HOH 14 614 18 HOH HOH A . CA 5 HOH 15 615 19 HOH HOH A . CA 5 HOH 16 616 21 HOH HOH A . CA 5 HOH 17 617 22 HOH HOH A . CA 5 HOH 18 618 23 HOH HOH A . CA 5 HOH 19 619 24 HOH HOH A . CA 5 HOH 20 620 28 HOH HOH A . CA 5 HOH 21 621 29 HOH HOH A . CA 5 HOH 22 622 30 HOH HOH A . CA 5 HOH 23 623 31 HOH HOH A . CA 5 HOH 24 624 32 HOH HOH A . CA 5 HOH 25 625 33 HOH HOH A . CA 5 HOH 26 626 34 HOH HOH A . CA 5 HOH 27 627 35 HOH HOH A . CA 5 HOH 28 628 36 HOH HOH A . CA 5 HOH 29 629 37 HOH HOH A . CA 5 HOH 30 630 38 HOH HOH A . CA 5 HOH 31 631 39 HOH HOH A . CA 5 HOH 32 632 40 HOH HOH A . CA 5 HOH 33 633 41 HOH HOH A . CA 5 HOH 34 634 42 HOH HOH A . CA 5 HOH 35 635 45 HOH HOH A . CA 5 HOH 36 636 47 HOH HOH A . CA 5 HOH 37 637 48 HOH HOH A . CA 5 HOH 38 638 49 HOH HOH A . CA 5 HOH 39 639 50 HOH HOH A . CA 5 HOH 40 640 52 HOH HOH A . CA 5 HOH 41 641 54 HOH HOH A . CA 5 HOH 42 642 56 HOH HOH A . CA 5 HOH 43 643 58 HOH HOH A . CA 5 HOH 44 644 59 HOH HOH A . CA 5 HOH 45 645 60 HOH HOH A . CA 5 HOH 46 646 61 HOH HOH A . CA 5 HOH 47 647 62 HOH HOH A . CA 5 HOH 48 648 63 HOH HOH A . CA 5 HOH 49 649 65 HOH HOH A . CA 5 HOH 50 650 67 HOH HOH A . CA 5 HOH 51 651 69 HOH HOH A . CA 5 HOH 52 652 70 HOH HOH A . CA 5 HOH 53 653 72 HOH HOH A . CA 5 HOH 54 654 74 HOH HOH A . CA 5 HOH 55 655 76 HOH HOH A . CA 5 HOH 56 656 77 HOH HOH A . CA 5 HOH 57 657 78 HOH HOH A . CA 5 HOH 58 658 79 HOH HOH A . CA 5 HOH 59 659 82 HOH HOH A . CA 5 HOH 60 660 83 HOH HOH A . CA 5 HOH 61 661 84 HOH HOH A . CA 5 HOH 62 662 85 HOH HOH A . CA 5 HOH 63 663 86 HOH HOH A . CA 5 HOH 64 664 87 HOH HOH A . CA 5 HOH 65 665 88 HOH HOH A . CA 5 HOH 66 666 89 HOH HOH A . CA 5 HOH 67 667 90 HOH HOH A . CA 5 HOH 68 668 91 HOH HOH A . CA 5 HOH 69 669 92 HOH HOH A . CA 5 HOH 70 670 96 HOH HOH A . CA 5 HOH 71 671 97 HOH HOH A . CA 5 HOH 72 672 98 HOH HOH A . CA 5 HOH 73 673 99 HOH HOH A . CA 5 HOH 74 674 100 HOH HOH A . CA 5 HOH 75 675 102 HOH HOH A . CA 5 HOH 76 676 104 HOH HOH A . CA 5 HOH 77 677 105 HOH HOH A . CA 5 HOH 78 678 106 HOH HOH A . CA 5 HOH 79 679 107 HOH HOH A . CA 5 HOH 80 680 109 HOH HOH A . CA 5 HOH 81 681 111 HOH HOH A . CA 5 HOH 82 682 112 HOH HOH A . CA 5 HOH 83 683 113 HOH HOH A . CA 5 HOH 84 684 116 HOH HOH A . CA 5 HOH 85 685 118 HOH HOH A . CA 5 HOH 86 686 119 HOH HOH A . CA 5 HOH 87 687 120 HOH HOH A . CA 5 HOH 88 688 121 HOH HOH A . CA 5 HOH 89 689 123 HOH HOH A . CA 5 HOH 90 690 125 HOH HOH A . CA 5 HOH 91 691 126 HOH HOH A . CA 5 HOH 92 692 128 HOH HOH A . CA 5 HOH 93 693 130 HOH HOH A . CA 5 HOH 94 694 131 HOH HOH A . CA 5 HOH 95 695 132 HOH HOH A . CA 5 HOH 96 696 133 HOH HOH A . CA 5 HOH 97 697 135 HOH HOH A . CA 5 HOH 98 698 136 HOH HOH A . CA 5 HOH 99 699 138 HOH HOH A . CA 5 HOH 100 700 139 HOH HOH A . CA 5 HOH 101 701 141 HOH HOH A . CA 5 HOH 102 702 144 HOH HOH A . CA 5 HOH 103 703 145 HOH HOH A . CA 5 HOH 104 704 146 HOH HOH A . CA 5 HOH 105 705 149 HOH HOH A . CA 5 HOH 106 706 151 HOH HOH A . CA 5 HOH 107 707 155 HOH HOH A . CA 5 HOH 108 708 156 HOH HOH A . CA 5 HOH 109 709 157 HOH HOH A . CA 5 HOH 110 710 158 HOH HOH A . CA 5 HOH 111 711 159 HOH HOH A . CA 5 HOH 112 712 160 HOH HOH A . CA 5 HOH 113 713 163 HOH HOH A . CA 5 HOH 114 714 164 HOH HOH A . CA 5 HOH 115 715 166 HOH HOH A . CA 5 HOH 116 716 167 HOH HOH A . CA 5 HOH 117 717 169 HOH HOH A . CA 5 HOH 118 718 172 HOH HOH A . CA 5 HOH 119 719 177 HOH HOH A . CA 5 HOH 120 720 179 HOH HOH A . CA 5 HOH 121 721 180 HOH HOH A . CA 5 HOH 122 722 181 HOH HOH A . CA 5 HOH 123 723 184 HOH HOH A . CA 5 HOH 124 724 185 HOH HOH A . CA 5 HOH 125 725 186 HOH HOH A . CA 5 HOH 126 726 187 HOH HOH A . CA 5 HOH 127 727 188 HOH HOH A . CA 5 HOH 128 728 190 HOH HOH A . CA 5 HOH 129 729 191 HOH HOH A . CA 5 HOH 130 730 192 HOH HOH A . CA 5 HOH 131 731 195 HOH HOH A . CA 5 HOH 132 732 196 HOH HOH A . CA 5 HOH 133 733 197 HOH HOH A . CA 5 HOH 134 734 198 HOH HOH A . CA 5 HOH 135 735 199 HOH HOH A . CA 5 HOH 136 736 200 HOH HOH A . CA 5 HOH 137 737 201 HOH HOH A . CA 5 HOH 138 738 202 HOH HOH A . CA 5 HOH 139 739 203 HOH HOH A . CA 5 HOH 140 740 204 HOH HOH A . CA 5 HOH 141 741 205 HOH HOH A . CA 5 HOH 142 742 206 HOH HOH A . CA 5 HOH 143 743 207 HOH HOH A . CA 5 HOH 144 744 208 HOH HOH A . CA 5 HOH 145 745 209 HOH HOH A . CA 5 HOH 146 746 210 HOH HOH A . CA 5 HOH 147 747 211 HOH HOH A . CA 5 HOH 148 748 212 HOH HOH A . CA 5 HOH 149 749 216 HOH HOH A . CA 5 HOH 150 750 217 HOH HOH A . CA 5 HOH 151 751 220 HOH HOH A . CA 5 HOH 152 752 221 HOH HOH A . CA 5 HOH 153 753 223 HOH HOH A . CA 5 HOH 154 754 227 HOH HOH A . CA 5 HOH 155 755 231 HOH HOH A . CA 5 HOH 156 756 232 HOH HOH A . CA 5 HOH 157 757 234 HOH HOH A . CA 5 HOH 158 758 235 HOH HOH A . CA 5 HOH 159 759 237 HOH HOH A . CA 5 HOH 160 760 239 HOH HOH A . CA 5 HOH 161 761 241 HOH HOH A . CA 5 HOH 162 762 244 HOH HOH A . CA 5 HOH 163 763 246 HOH HOH A . CA 5 HOH 164 764 247 HOH HOH A . CA 5 HOH 165 765 248 HOH HOH A . CA 5 HOH 166 766 249 HOH HOH A . CA 5 HOH 167 767 253 HOH HOH A . CA 5 HOH 168 768 254 HOH HOH A . CA 5 HOH 169 769 255 HOH HOH A . CA 5 HOH 170 770 257 HOH HOH A . CA 5 HOH 171 771 258 HOH HOH A . CA 5 HOH 172 772 260 HOH HOH A . CA 5 HOH 173 773 262 HOH HOH A . CA 5 HOH 174 774 263 HOH HOH A . CA 5 HOH 175 775 264 HOH HOH A . CA 5 HOH 176 776 266 HOH HOH A . CA 5 HOH 177 777 267 HOH HOH A . CA 5 HOH 178 778 268 HOH HOH A . CA 5 HOH 179 779 271 HOH HOH A . CA 5 HOH 180 780 272 HOH HOH A . CA 5 HOH 181 781 273 HOH HOH A . CA 5 HOH 182 782 276 HOH HOH A . CA 5 HOH 183 783 278 HOH HOH A . CA 5 HOH 184 784 280 HOH HOH A . CA 5 HOH 185 785 281 HOH HOH A . CA 5 HOH 186 786 282 HOH HOH A . CA 5 HOH 187 787 284 HOH HOH A . CA 5 HOH 188 788 287 HOH HOH A . CA 5 HOH 189 789 289 HOH HOH A . CA 5 HOH 190 790 291 HOH HOH A . CA 5 HOH 191 791 292 HOH HOH A . CA 5 HOH 192 792 295 HOH HOH A . CA 5 HOH 193 793 296 HOH HOH A . CA 5 HOH 194 794 299 HOH HOH A . CA 5 HOH 195 795 300 HOH HOH A . CA 5 HOH 196 796 304 HOH HOH A . CA 5 HOH 197 797 306 HOH HOH A . CA 5 HOH 198 798 308 HOH HOH A . CA 5 HOH 199 799 309 HOH HOH A . CA 5 HOH 200 800 310 HOH HOH A . CA 5 HOH 201 801 311 HOH HOH A . CA 5 HOH 202 802 314 HOH HOH A . CA 5 HOH 203 803 315 HOH HOH A . CA 5 HOH 204 804 317 HOH HOH A . CA 5 HOH 205 805 318 HOH HOH A . CA 5 HOH 206 806 319 HOH HOH A . CA 5 HOH 207 807 323 HOH HOH A . CA 5 HOH 208 808 326 HOH HOH A . CA 5 HOH 209 809 328 HOH HOH A . CA 5 HOH 210 810 329 HOH HOH A . CA 5 HOH 211 811 330 HOH HOH A . CA 5 HOH 212 812 331 HOH HOH A . CA 5 HOH 213 813 334 HOH HOH A . CA 5 HOH 214 814 335 HOH HOH A . CA 5 HOH 215 815 337 HOH HOH A . CA 5 HOH 216 816 338 HOH HOH A . CA 5 HOH 217 817 340 HOH HOH A . CA 5 HOH 218 818 345 HOH HOH A . CA 5 HOH 219 819 346 HOH HOH A . CA 5 HOH 220 820 348 HOH HOH A . CA 5 HOH 221 821 350 HOH HOH A . CA 5 HOH 222 822 352 HOH HOH A . CA 5 HOH 223 823 353 HOH HOH A . CA 5 HOH 224 824 354 HOH HOH A . CA 5 HOH 225 825 355 HOH HOH A . CA 5 HOH 226 826 361 HOH HOH A . CA 5 HOH 227 827 362 HOH HOH A . CA 5 HOH 228 828 363 HOH HOH A . CA 5 HOH 229 829 365 HOH HOH A . CA 5 HOH 230 830 366 HOH HOH A . CA 5 HOH 231 831 368 HOH HOH A . CA 5 HOH 232 832 369 HOH HOH A . CA 5 HOH 233 833 370 HOH HOH A . CA 5 HOH 234 834 371 HOH HOH A . CA 5 HOH 235 835 372 HOH HOH A . CA 5 HOH 236 836 373 HOH HOH A . CA 5 HOH 237 837 375 HOH HOH A . CA 5 HOH 238 838 376 HOH HOH A . CA 5 HOH 239 839 379 HOH HOH A . CA 5 HOH 240 840 381 HOH HOH A . CA 5 HOH 241 841 384 HOH HOH A . CA 5 HOH 242 842 385 HOH HOH A . CA 5 HOH 243 843 386 HOH HOH A . CA 5 HOH 244 844 387 HOH HOH A . CA 5 HOH 245 845 390 HOH HOH A . CA 5 HOH 246 846 393 HOH HOH A . CA 5 HOH 247 847 395 HOH HOH A . CA 5 HOH 248 848 396 HOH HOH A . CA 5 HOH 249 849 397 HOH HOH A . CA 5 HOH 250 850 398 HOH HOH A . CA 5 HOH 251 851 401 HOH HOH A . CA 5 HOH 252 852 402 HOH HOH A . CA 5 HOH 253 853 404 HOH HOH A . CA 5 HOH 254 854 405 HOH HOH A . CA 5 HOH 255 855 408 HOH HOH A . CA 5 HOH 256 856 410 HOH HOH A . CA 5 HOH 257 857 411 HOH HOH A . CA 5 HOH 258 858 412 HOH HOH A . CA 5 HOH 259 859 416 HOH HOH A . CA 5 HOH 260 860 417 HOH HOH A . CA 5 HOH 261 861 420 HOH HOH A . CA 5 HOH 262 862 422 HOH HOH A . CA 5 HOH 263 863 423 HOH HOH A . CA 5 HOH 264 864 424 HOH HOH A . CA 5 HOH 265 865 425 HOH HOH A . CA 5 HOH 266 866 427 HOH HOH A . CA 5 HOH 267 867 429 HOH HOH A . CA 5 HOH 268 868 430 HOH HOH A . CA 5 HOH 269 869 431 HOH HOH A . CA 5 HOH 270 870 432 HOH HOH A . CA 5 HOH 271 871 434 HOH HOH A . CA 5 HOH 272 872 438 HOH HOH A . CA 5 HOH 273 873 440 HOH HOH A . CA 5 HOH 274 874 441 HOH HOH A . CA 5 HOH 275 875 443 HOH HOH A . CA 5 HOH 276 876 444 HOH HOH A . CA 5 HOH 277 877 446 HOH HOH A . CA 5 HOH 278 878 447 HOH HOH A . CA 5 HOH 279 879 448 HOH HOH A . CA 5 HOH 280 880 449 HOH HOH A . CA 5 HOH 281 881 451 HOH HOH A . CA 5 HOH 282 882 452 HOH HOH A . CA 5 HOH 283 883 453 HOH HOH A . CA 5 HOH 284 884 457 HOH HOH A . CA 5 HOH 285 885 458 HOH HOH A . CA 5 HOH 286 886 459 HOH HOH A . CA 5 HOH 287 887 460 HOH HOH A . CA 5 HOH 288 888 463 HOH HOH A . CA 5 HOH 289 889 467 HOH HOH A . CA 5 HOH 290 890 468 HOH HOH A . CA 5 HOH 291 891 470 HOH HOH A . CA 5 HOH 292 892 471 HOH HOH A . CA 5 HOH 293 893 473 HOH HOH A . CA 5 HOH 294 894 476 HOH HOH A . CA 5 HOH 295 895 477 HOH HOH A . CA 5 HOH 296 896 478 HOH HOH A . DA 5 HOH 1 601 3 HOH HOH C . DA 5 HOH 2 602 5 HOH HOH C . DA 5 HOH 3 603 9 HOH HOH C . DA 5 HOH 4 604 15 HOH HOH C . DA 5 HOH 5 605 20 HOH HOH C . DA 5 HOH 6 606 25 HOH HOH C . DA 5 HOH 7 607 26 HOH HOH C . DA 5 HOH 8 608 27 HOH HOH C . DA 5 HOH 9 609 43 HOH HOH C . DA 5 HOH 10 610 44 HOH HOH C . DA 5 HOH 11 611 46 HOH HOH C . DA 5 HOH 12 612 51 HOH HOH C . DA 5 HOH 13 613 53 HOH HOH C . DA 5 HOH 14 614 55 HOH HOH C . DA 5 HOH 15 615 57 HOH HOH C . DA 5 HOH 16 616 64 HOH HOH C . DA 5 HOH 17 617 66 HOH HOH C . DA 5 HOH 18 618 68 HOH HOH C . DA 5 HOH 19 619 71 HOH HOH C . DA 5 HOH 20 620 73 HOH HOH C . DA 5 HOH 21 621 75 HOH HOH C . DA 5 HOH 22 622 80 HOH HOH C . DA 5 HOH 23 623 81 HOH HOH C . DA 5 HOH 24 624 93 HOH HOH C . DA 5 HOH 25 625 94 HOH HOH C . DA 5 HOH 26 626 95 HOH HOH C . DA 5 HOH 27 627 101 HOH HOH C . DA 5 HOH 28 628 103 HOH HOH C . DA 5 HOH 29 629 108 HOH HOH C . DA 5 HOH 30 630 110 HOH HOH C . DA 5 HOH 31 631 114 HOH HOH C . DA 5 HOH 32 632 115 HOH HOH C . DA 5 HOH 33 633 117 HOH HOH C . DA 5 HOH 34 634 122 HOH HOH C . DA 5 HOH 35 635 124 HOH HOH C . DA 5 HOH 36 636 127 HOH HOH C . DA 5 HOH 37 637 129 HOH HOH C . DA 5 HOH 38 638 134 HOH HOH C . DA 5 HOH 39 639 137 HOH HOH C . DA 5 HOH 40 640 140 HOH HOH C . DA 5 HOH 41 641 142 HOH HOH C . DA 5 HOH 42 642 143 HOH HOH C . DA 5 HOH 43 643 147 HOH HOH C . DA 5 HOH 44 644 148 HOH HOH C . DA 5 HOH 45 645 150 HOH HOH C . DA 5 HOH 46 646 152 HOH HOH C . DA 5 HOH 47 647 153 HOH HOH C . DA 5 HOH 48 648 154 HOH HOH C . DA 5 HOH 49 649 161 HOH HOH C . DA 5 HOH 50 650 162 HOH HOH C . DA 5 HOH 51 651 165 HOH HOH C . DA 5 HOH 52 652 168 HOH HOH C . DA 5 HOH 53 653 170 HOH HOH C . DA 5 HOH 54 654 171 HOH HOH C . DA 5 HOH 55 655 173 HOH HOH C . DA 5 HOH 56 656 174 HOH HOH C . DA 5 HOH 57 657 175 HOH HOH C . DA 5 HOH 58 658 176 HOH HOH C . DA 5 HOH 59 659 178 HOH HOH C . DA 5 HOH 60 660 182 HOH HOH C . DA 5 HOH 61 661 183 HOH HOH C . DA 5 HOH 62 662 189 HOH HOH C . DA 5 HOH 63 663 193 HOH HOH C . DA 5 HOH 64 664 194 HOH HOH C . DA 5 HOH 65 665 213 HOH HOH C . DA 5 HOH 66 666 214 HOH HOH C . DA 5 HOH 67 667 215 HOH HOH C . DA 5 HOH 68 668 218 HOH HOH C . DA 5 HOH 69 669 219 HOH HOH C . DA 5 HOH 70 670 222 HOH HOH C . DA 5 HOH 71 671 224 HOH HOH C . DA 5 HOH 72 672 225 HOH HOH C . DA 5 HOH 73 673 226 HOH HOH C . DA 5 HOH 74 674 228 HOH HOH C . DA 5 HOH 75 675 229 HOH HOH C . DA 5 HOH 76 676 230 HOH HOH C . DA 5 HOH 77 677 233 HOH HOH C . DA 5 HOH 78 678 236 HOH HOH C . DA 5 HOH 79 679 238 HOH HOH C . DA 5 HOH 80 680 240 HOH HOH C . DA 5 HOH 81 681 242 HOH HOH C . DA 5 HOH 82 682 243 HOH HOH C . DA 5 HOH 83 683 245 HOH HOH C . DA 5 HOH 84 684 250 HOH HOH C . DA 5 HOH 85 685 251 HOH HOH C . DA 5 HOH 86 686 252 HOH HOH C . DA 5 HOH 87 687 256 HOH HOH C . DA 5 HOH 88 688 259 HOH HOH C . DA 5 HOH 89 689 261 HOH HOH C . DA 5 HOH 90 690 265 HOH HOH C . DA 5 HOH 91 691 269 HOH HOH C . DA 5 HOH 92 692 270 HOH HOH C . DA 5 HOH 93 693 274 HOH HOH C . DA 5 HOH 94 694 275 HOH HOH C . DA 5 HOH 95 695 277 HOH HOH C . DA 5 HOH 96 696 279 HOH HOH C . DA 5 HOH 97 697 283 HOH HOH C . DA 5 HOH 98 698 285 HOH HOH C . DA 5 HOH 99 699 286 HOH HOH C . DA 5 HOH 100 700 288 HOH HOH C . DA 5 HOH 101 701 290 HOH HOH C . DA 5 HOH 102 702 293 HOH HOH C . DA 5 HOH 103 703 294 HOH HOH C . DA 5 HOH 104 704 297 HOH HOH C . DA 5 HOH 105 705 298 HOH HOH C . DA 5 HOH 106 706 301 HOH HOH C . DA 5 HOH 107 707 302 HOH HOH C . DA 5 HOH 108 708 303 HOH HOH C . DA 5 HOH 109 709 305 HOH HOH C . DA 5 HOH 110 710 307 HOH HOH C . DA 5 HOH 111 711 312 HOH HOH C . DA 5 HOH 112 712 313 HOH HOH C . DA 5 HOH 113 713 316 HOH HOH C . DA 5 HOH 114 714 320 HOH HOH C . DA 5 HOH 115 715 321 HOH HOH C . DA 5 HOH 116 716 322 HOH HOH C . DA 5 HOH 117 717 324 HOH HOH C . DA 5 HOH 118 718 325 HOH HOH C . DA 5 HOH 119 719 327 HOH HOH C . DA 5 HOH 120 720 332 HOH HOH C . DA 5 HOH 121 721 333 HOH HOH C . DA 5 HOH 122 722 336 HOH HOH C . DA 5 HOH 123 723 339 HOH HOH C . DA 5 HOH 124 724 341 HOH HOH C . DA 5 HOH 125 725 342 HOH HOH C . DA 5 HOH 126 726 343 HOH HOH C . DA 5 HOH 127 727 344 HOH HOH C . DA 5 HOH 128 728 347 HOH HOH C . DA 5 HOH 129 729 349 HOH HOH C . DA 5 HOH 130 730 351 HOH HOH C . DA 5 HOH 131 731 356 HOH HOH C . DA 5 HOH 132 732 357 HOH HOH C . DA 5 HOH 133 733 358 HOH HOH C . DA 5 HOH 134 734 359 HOH HOH C . DA 5 HOH 135 735 360 HOH HOH C . DA 5 HOH 136 736 364 HOH HOH C . DA 5 HOH 137 737 367 HOH HOH C . DA 5 HOH 138 738 374 HOH HOH C . DA 5 HOH 139 739 377 HOH HOH C . DA 5 HOH 140 740 378 HOH HOH C . DA 5 HOH 141 741 380 HOH HOH C . DA 5 HOH 142 742 382 HOH HOH C . DA 5 HOH 143 743 383 HOH HOH C . DA 5 HOH 144 744 388 HOH HOH C . DA 5 HOH 145 745 389 HOH HOH C . DA 5 HOH 146 746 391 HOH HOH C . DA 5 HOH 147 747 392 HOH HOH C . DA 5 HOH 148 748 394 HOH HOH C . DA 5 HOH 149 749 399 HOH HOH C . DA 5 HOH 150 750 400 HOH HOH C . DA 5 HOH 151 751 403 HOH HOH C . DA 5 HOH 152 752 406 HOH HOH C . DA 5 HOH 153 753 407 HOH HOH C . DA 5 HOH 154 754 409 HOH HOH C . DA 5 HOH 155 755 413 HOH HOH C . DA 5 HOH 156 756 414 HOH HOH C . DA 5 HOH 157 757 415 HOH HOH C . DA 5 HOH 158 758 418 HOH HOH C . DA 5 HOH 159 759 419 HOH HOH C . DA 5 HOH 160 760 421 HOH HOH C . DA 5 HOH 161 761 426 HOH HOH C . DA 5 HOH 162 762 428 HOH HOH C . DA 5 HOH 163 763 433 HOH HOH C . DA 5 HOH 164 764 435 HOH HOH C . DA 5 HOH 165 765 436 HOH HOH C . DA 5 HOH 166 766 437 HOH HOH C . DA 5 HOH 167 767 439 HOH HOH C . DA 5 HOH 168 768 442 HOH HOH C . DA 5 HOH 169 769 445 HOH HOH C . DA 5 HOH 170 770 450 HOH HOH C . DA 5 HOH 171 771 454 HOH HOH C . DA 5 HOH 172 772 455 HOH HOH C . DA 5 HOH 173 773 456 HOH HOH C . DA 5 HOH 174 774 461 HOH HOH C . DA 5 HOH 175 775 462 HOH HOH C . DA 5 HOH 176 776 464 HOH HOH C . DA 5 HOH 177 777 465 HOH HOH C . DA 5 HOH 178 778 466 HOH HOH C . DA 5 HOH 179 779 469 HOH HOH C . DA 5 HOH 180 780 472 HOH HOH C . DA 5 HOH 181 781 474 HOH HOH C . DA 5 HOH 182 782 475 HOH HOH C . DA 5 HOH 183 783 479 HOH HOH C . #