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*** 1us4 ***elNémo ID: 2403090033002411423Job options:ID = 2403090033002411423 JOBID = 1us4 USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER 1us4 data_1US4 # _entry.id 1US4 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.308 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 1US4 PDBE EBI-13990 WWPDB D_1290013990 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 1US5 _pdbx_database_related.content_type unspecified _pdbx_database_related.details 'PUTATIVE GLUR0 LIGAND BINDING CORE WITH L-GLUTAMATE' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1US4 _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2003-11-18 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Tahirov, T.H.' 1 'Inagaki, E.' 2 'Takahashi, H.' 3 # _citation.id primary _citation.title 'Structure of the Thermus Thermophilus Putative Periplasmic Glutamate/Glutamine-Binding Protein' _citation.journal_abbrev 'Acta Crystallogr.,Sect.D' _citation.journal_volume 60 _citation.page_first 1846 _citation.page_last ? _citation.year 2004 _citation.journal_id_ASTM ABCRE6 _citation.country DK _citation.journal_id_ISSN 0907-4449 _citation.journal_id_CSD 0766 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 15388932 _citation.pdbx_database_id_DOI 10.1107/S0907444904019420 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal _citation_author.identifier_ORCID primary 'Takahashi, H.' 1 ? primary 'Inagaki, E.' 2 ? primary 'Kuroishi, C.' 3 ? primary 'Tahirov, T.H.' 4 ? # _cell.entry_id 1US4 _cell.length_a 51.518 _cell.length_b 68.092 _cell.length_c 81.381 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 1US4 _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 # 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 'PUTATIVE GLUR0 LIGAND BINDING CORE' 33723.168 1 ? ? 'LIGAND BINDING CORE, RESIDUES 1-314' ? 2 non-polymer syn 'GLUTAMIC ACID' 147.129 1 ? ? ? ? 3 non-polymer syn 1,2-ETHANEDIOL 62.068 1 ? ? ? ? 4 water nat water 18.015 235 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer yes _entity_poly.pdbx_seq_one_letter_code ;(MSE)RKPILAALTLAGLGLAQEFITIGSGSTTGVYFPVATGIAKLVNDANVGIRANARSTGGSVANINAINAGEFE (MSE)ALAQNDIAYYAYQGCCIPAFEGKPVKTIRALAALYPEVVHVVARKDAGIRTVADLKGKRVVVGDVGSGTEQNARQ ILEAYGLTFDDLGQAIRVSASQGIQL(MSE)QDKRADALFYTVGLGASAIQQLALTTPIALVAVDLNRIQAIAKKYPFYV GFNIPGGTYKGVDVTTPTVAVQA(MSE)LIASERLSEETVYKF(MSE)KAVFGNLEAFKKIHPNLERFFGLEKAVKGLPI PLHPGAERFYKEAGVLK ; _entity_poly.pdbx_seq_one_letter_code_can ;MRKPILAALTLAGLGLAQEFITIGSGSTTGVYFPVATGIAKLVNDANVGIRANARSTGGSVANINAINAGEFEMALAQND IAYYAYQGCCIPAFEGKPVKTIRALAALYPEVVHVVARKDAGIRTVADLKGKRVVVGDVGSGTEQNARQILEAYGLTFDD LGQAIRVSASQGIQLMQDKRADALFYTVGLGASAIQQLALTTPIALVAVDLNRIQAIAKKYPFYVGFNIPGGTYKGVDVT TPTVAVQAMLIASERLSEETVYKFMKAVFGNLEAFKKIHPNLERFFGLEKAVKGLPIPLHPGAERFYKEAGVLK ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MSE n 1 2 ARG n 1 3 LYS n 1 4 PRO n 1 5 ILE n 1 6 LEU n 1 7 ALA n 1 8 ALA n 1 9 LEU n 1 10 THR n 1 11 LEU n 1 12 ALA n 1 13 GLY n 1 14 LEU n 1 15 GLY n 1 16 LEU n 1 17 ALA n 1 18 GLN n 1 19 GLU n 1 20 PHE n 1 21 ILE n 1 22 THR n 1 23 ILE n 1 24 GLY n 1 25 SER n 1 26 GLY n 1 27 SER n 1 28 THR n 1 29 THR n 1 30 GLY n 1 31 VAL n 1 32 TYR n 1 33 PHE n 1 34 PRO n 1 35 VAL n 1 36 ALA n 1 37 THR n 1 38 GLY n 1 39 ILE n 1 40 ALA n 1 41 LYS n 1 42 LEU n 1 43 VAL n 1 44 ASN n 1 45 ASP n 1 46 ALA n 1 47 ASN n 1 48 VAL n 1 49 GLY n 1 50 ILE n 1 51 ARG n 1 52 ALA n 1 53 ASN n 1 54 ALA n 1 55 ARG n 1 56 SER n 1 57 THR n 1 58 GLY n 1 59 GLY n 1 60 SER n 1 61 VAL n 1 62 ALA n 1 63 ASN n 1 64 ILE n 1 65 ASN n 1 66 ALA n 1 67 ILE n 1 68 ASN n 1 69 ALA n 1 70 GLY n 1 71 GLU n 1 72 PHE n 1 73 GLU n 1 74 MSE n 1 75 ALA n 1 76 LEU n 1 77 ALA n 1 78 GLN n 1 79 ASN n 1 80 ASP n 1 81 ILE n 1 82 ALA n 1 83 TYR n 1 84 TYR n 1 85 ALA n 1 86 TYR n 1 87 GLN n 1 88 GLY n 1 89 CYS n 1 90 CYS n 1 91 ILE n 1 92 PRO n 1 93 ALA n 1 94 PHE n 1 95 GLU n 1 96 GLY n 1 97 LYS n 1 98 PRO n 1 99 VAL n 1 100 LYS n 1 101 THR n 1 102 ILE n 1 103 ARG n 1 104 ALA n 1 105 LEU n 1 106 ALA n 1 107 ALA n 1 108 LEU n 1 109 TYR n 1 110 PRO n 1 111 GLU n 1 112 VAL n 1 113 VAL n 1 114 HIS n 1 115 VAL n 1 116 VAL n 1 117 ALA n 1 118 ARG n 1 119 LYS n 1 120 ASP n 1 121 ALA n 1 122 GLY n 1 123 ILE n 1 124 ARG n 1 125 THR n 1 126 VAL n 1 127 ALA n 1 128 ASP n 1 129 LEU n 1 130 LYS n 1 131 GLY n 1 132 LYS n 1 133 ARG n 1 134 VAL n 1 135 VAL n 1 136 VAL n 1 137 GLY n 1 138 ASP n 1 139 VAL n 1 140 GLY n 1 141 SER n 1 142 GLY n 1 143 THR n 1 144 GLU n 1 145 GLN n 1 146 ASN n 1 147 ALA n 1 148 ARG n 1 149 GLN n 1 150 ILE n 1 151 LEU n 1 152 GLU n 1 153 ALA n 1 154 TYR n 1 155 GLY n 1 156 LEU n 1 157 THR n 1 158 PHE n 1 159 ASP n 1 160 ASP n 1 161 LEU n 1 162 GLY n 1 163 GLN n 1 164 ALA n 1 165 ILE n 1 166 ARG n 1 167 VAL n 1 168 SER n 1 169 ALA n 1 170 SER n 1 171 GLN n 1 172 GLY n 1 173 ILE n 1 174 GLN n 1 175 LEU n 1 176 MSE n 1 177 GLN n 1 178 ASP n 1 179 LYS n 1 180 ARG n 1 181 ALA n 1 182 ASP n 1 183 ALA n 1 184 LEU n 1 185 PHE n 1 186 TYR n 1 187 THR n 1 188 VAL n 1 189 GLY n 1 190 LEU n 1 191 GLY n 1 192 ALA n 1 193 SER n 1 194 ALA n 1 195 ILE n 1 196 GLN n 1 197 GLN n 1 198 LEU n 1 199 ALA n 1 200 LEU n 1 201 THR n 1 202 THR n 1 203 PRO n 1 204 ILE n 1 205 ALA n 1 206 LEU n 1 207 VAL n 1 208 ALA n 1 209 VAL n 1 210 ASP n 1 211 LEU n 1 212 ASN n 1 213 ARG n 1 214 ILE n 1 215 GLN n 1 216 ALA n 1 217 ILE n 1 218 ALA n 1 219 LYS n 1 220 LYS n 1 221 TYR n 1 222 PRO n 1 223 PHE n 1 224 TYR n 1 225 VAL n 1 226 GLY n 1 227 PHE n 1 228 ASN n 1 229 ILE n 1 230 PRO n 1 231 GLY n 1 232 GLY n 1 233 THR n 1 234 TYR n 1 235 LYS n 1 236 GLY n 1 237 VAL n 1 238 ASP n 1 239 VAL n 1 240 THR n 1 241 THR n 1 242 PRO n 1 243 THR n 1 244 VAL n 1 245 ALA n 1 246 VAL n 1 247 GLN n 1 248 ALA n 1 249 MSE n 1 250 LEU n 1 251 ILE n 1 252 ALA n 1 253 SER n 1 254 GLU n 1 255 ARG n 1 256 LEU n 1 257 SER n 1 258 GLU n 1 259 GLU n 1 260 THR n 1 261 VAL n 1 262 TYR n 1 263 LYS n 1 264 PHE n 1 265 MSE n 1 266 LYS n 1 267 ALA n 1 268 VAL n 1 269 PHE n 1 270 GLY n 1 271 ASN n 1 272 LEU n 1 273 GLU n 1 274 ALA n 1 275 PHE n 1 276 LYS n 1 277 LYS n 1 278 ILE n 1 279 HIS n 1 280 PRO n 1 281 ASN n 1 282 LEU n 1 283 GLU n 1 284 ARG n 1 285 PHE n 1 286 PHE n 1 287 GLY n 1 288 LEU n 1 289 GLU n 1 290 LYS n 1 291 ALA n 1 292 VAL n 1 293 LYS n 1 294 GLY n 1 295 LEU n 1 296 PRO n 1 297 ILE n 1 298 PRO n 1 299 LEU n 1 300 HIS n 1 301 PRO n 1 302 GLY n 1 303 ALA n 1 304 GLU n 1 305 ARG n 1 306 PHE n 1 307 TYR n 1 308 LYS n 1 309 GLU n 1 310 ALA n 1 311 GLY n 1 312 VAL n 1 313 LEU n 1 314 LYS 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 ? _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain HB8 _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 'THERMUS THERMOPHILUS' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 300852 _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 'ESCHERICHIA COLI' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 469008 _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 'BL21(DE3)' _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 PET11A _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name PDB _struct_ref.db_code 1US4 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession 1US4 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 1US4 _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 314 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession 1US4 _struct_ref_seq.db_align_beg 1 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 314 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 314 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 EDO non-polymer . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2' 62.068 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 MSE 'L-peptide linking' n SELENOMETHIONINE ? 'C5 H11 N O2 Se' 196.106 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 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 1US4 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.12 _exptl_crystal.density_percent_sol 41.88 _exptl_crystal.description ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION' _exptl_crystal_grow.temp 291 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 5.00 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details ;VAPOUR DIFFUSION METHOD, 10 MG/ML OF PROTEIN SOLUTION WAS MIXED WITH RESERVOIR SOLUTION (20.3% PEG4000, 0.09M SODIUM CITRATE PH 5.0) AND EQUILIBRATED AGAINST RESERVOIR SOLUTION AT ROOM TEMPERATURE (291 K). CRYSTALS IN FORM OF PARALLELEPIPEDS WERE GROWN TO 0.05X0.05X0.15 MM WITHIN 10 DAYS. CRYOPROTECTANT CONTENT: 25% PEG4000, 18% ETHYLENE GLYCOL AND 0.1M SODIUM CITRATE PH 5.0. ; # _diffrn.id 1 _diffrn.ambient_temp 100.0 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type 'RIGAKU IMAGE PLATE' _diffrn_detector.pdbx_collection_date 2003-04-15 _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 MAD _diffrn_radiation.pdbx_scattering_type x-ray # loop_ _diffrn_radiation_wavelength.id _diffrn_radiation_wavelength.wavelength _diffrn_radiation_wavelength.wt 1 0.9 1.0 2 0.9789 1.0 3 0.9793 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SPRING-8 BEAMLINE BL26B1' _diffrn_source.pdbx_synchrotron_site SPring-8 _diffrn_source.pdbx_synchrotron_beamline BL26B1 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list '0.9, 0.9789, 0.9793' # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 1US4 _reflns.observed_criterion_sigma_I -1.000 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 50.000 _reflns.d_resolution_high 1.750 _reflns.number_obs 28082 _reflns.number_all ? _reflns.percent_possible_obs 95.2 _reflns.pdbx_Rmerge_I_obs 0.06700 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 25.1000 _reflns.B_iso_Wilson_estimate 9.4 _reflns.pdbx_redundancy 4.400 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 1.75 _reflns_shell.d_res_low 1.81 _reflns_shell.percent_possible_all 98.0 _reflns_shell.Rmerge_I_obs 0.15300 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 13.600 _reflns_shell.pdbx_redundancy ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 1US4 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 50956 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF 823853.89 _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 28.91 _refine.ls_d_res_high 1.75 _refine.ls_percent_reflns_obs 91.5 _refine.ls_R_factor_obs 0.178 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.178 _refine.ls_R_factor_R_free 0.206 _refine.ls_R_factor_R_free_error 0.004 _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.8 _refine.ls_number_reflns_R_free 2440 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 13.0 _refine.aniso_B[1][1] -1.75 _refine.aniso_B[2][2] 0.28 _refine.aniso_B[3][3] 1.47 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'FLAT MODEL' _refine.solvent_model_param_ksol 0.343669 _refine.solvent_model_param_bsol 41.815 _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'FRIEDEL PAIRS WERE INCLUDED FOR THE REFINEMENT OF ANOMALOUS CONTRIBUTION OF SE ATOMS' _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct MAD _refine.pdbx_isotropic_thermal_model RESTRAINED _refine.pdbx_stereochemistry_target_values ? _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 ? _refine.pdbx_overall_phase_error ? _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_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_analyze.entry_id 1US4 _refine_analyze.Luzzati_coordinate_error_obs 0.17 _refine_analyze.Luzzati_sigma_a_obs 0.05 _refine_analyze.Luzzati_d_res_low_obs 5.00 _refine_analyze.Luzzati_coordinate_error_free 0.20 _refine_analyze.Luzzati_sigma_a_free 0.10 _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2237 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 14 _refine_hist.number_atoms_solvent 235 _refine_hist.number_atoms_total 2486 _refine_hist.d_res_high 1.75 _refine_hist.d_res_low 28.91 # 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 c_bond_d 0.005 ? ? ? 'X-RAY DIFFRACTION' ? c_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg 1.3 ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d 22.6 ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d 0.80 ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_mcbond_it 2.08 1.50 ? ? 'X-RAY DIFFRACTION' ? c_mcangle_it 2.75 2.00 ? ? 'X-RAY DIFFRACTION' ? c_scbond_it 3.53 2.00 ? ? 'X-RAY DIFFRACTION' ? c_scangle_it 4.88 2.50 ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 6 _refine_ls_shell.d_res_high 1.75 _refine_ls_shell.d_res_low 1.86 _refine_ls_shell.number_reflns_R_work 8040 _refine_ls_shell.R_factor_R_work 0.178 _refine_ls_shell.percent_reflns_obs 90.5 _refine_ls_shell.R_factor_R_free 0.209 _refine_ls_shell.R_factor_R_free_error 0.011 _refine_ls_shell.percent_reflns_R_free 4.4 _refine_ls_shell.number_reflns_R_free 374 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? # loop_ _pdbx_xplor_file.pdbx_refine_id _pdbx_xplor_file.serial_no _pdbx_xplor_file.param_file _pdbx_xplor_file.topol_file 'X-RAY DIFFRACTION' 1 PROTEIN_REP.PARAM PROTEIN.TOP 'X-RAY DIFFRACTION' 2 WATER_REP.PARAM WATER.TOP 'X-RAY DIFFRACTION' 3 EGL.PAR EGL.TOP # _struct.entry_id 1US4 _struct.title 'PUTATIVE GLUR0 LIGAND BINDING CORE WITH L-GLUTAMATE' _struct.pdbx_descriptor 'PUTATIVE GLUR0 LIGAND BINDING CORE' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1US4 _struct_keywords.pdbx_keywords RECEPTOR _struct_keywords.text ;RECEPTOR, MEMBRANE PROTEIN, GLUTAMATE RECEPTOR, GLUR0, L-GLUTAMATE, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, STRUCTURAL GENOMICS ; # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? # _struct_biol.id 1 # 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 VAL A 31 ? ALA A 46 ? VAL A 31 ALA A 46 1 ? 16 HELX_P HELX_P2 2 GLY A 59 ? ALA A 69 ? GLY A 59 ALA A 69 1 ? 11 HELX_P HELX_P3 3 ASN A 79 ? GLY A 88 ? ASN A 79 GLY A 88 1 ? 10 HELX_P HELX_P4 4 THR A 125 ? LYS A 130 ? THR A 125 LYS A 130 5 ? 6 HELX_P HELX_P5 5 SER A 141 ? TYR A 154 ? SER A 141 TYR A 154 1 ? 14 HELX_P HELX_P6 6 THR A 157 ? LEU A 161 ? THR A 157 LEU A 161 5 ? 5 HELX_P HELX_P7 7 SER A 168 ? ASP A 178 ? SER A 168 ASP A 178 1 ? 11 HELX_P HELX_P8 8 ALA A 192 ? THR A 202 ? ALA A 192 THR A 202 1 ? 11 HELX_P HELX_P9 9 ASP A 210 ? ALA A 216 ? ASP A 210 ALA A 216 1 ? 7 HELX_P HELX_P10 10 SER A 257 ? PHE A 269 ? SER A 257 PHE A 269 1 ? 13 HELX_P HELX_P11 11 ASN A 271 ? LYS A 277 ? ASN A 271 LYS A 277 1 ? 7 HELX_P HELX_P12 12 HIS A 279 ? PHE A 286 ? HIS A 279 PHE A 286 1 ? 8 HELX_P HELX_P13 13 GLY A 287 ? VAL A 292 ? GLY A 287 VAL A 292 1 ? 6 HELX_P HELX_P14 14 HIS A 300 ? ALA A 310 ? HIS A 300 ALA A 310 1 ? 11 # _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 89 SG ? ? ? 1_555 A CYS 90 SG ? ? A CYS 89 A CYS 90 1_555 ? ? ? ? ? ? ? 2.054 ? covale1 covale both ? A GLU 73 C ? ? ? 1_555 A MSE 74 N ? ? A GLU 73 A MSE 74 1_555 ? ? ? ? ? ? ? 1.330 ? covale2 covale both ? A MSE 74 C ? ? ? 1_555 A ALA 75 N ? ? A MSE 74 A ALA 75 1_555 ? ? ? ? ? ? ? 1.328 ? covale3 covale both ? A LEU 175 C ? ? ? 1_555 A MSE 176 N ? ? A LEU 175 A MSE 176 1_555 ? ? ? ? ? ? ? 1.331 ? covale4 covale both ? A MSE 176 C ? ? ? 1_555 A GLN 177 N ? ? A MSE 176 A GLN 177 1_555 ? ? ? ? ? ? ? 1.329 ? covale5 covale both ? A ALA 248 C ? ? ? 1_555 A MSE 249 N ? ? A ALA 248 A MSE 249 1_555 ? ? ? ? ? ? ? 1.330 ? covale6 covale both ? A MSE 249 C ? ? ? 1_555 A LEU 250 N ? ? A MSE 249 A LEU 250 1_555 ? ? ? ? ? ? ? 1.326 ? covale7 covale both ? A PHE 264 C ? ? ? 1_555 A MSE 265 N ? ? A PHE 264 A MSE 265 1_555 ? ? ? ? ? ? ? 1.329 ? covale8 covale both ? A MSE 265 C ? ? ? 1_555 A LYS 266 N ? ? A MSE 265 A LYS 266 1_555 ? ? ? ? ? ? ? 1.329 ? # 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 AA ? 5 ? AB ? 5 ? # 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 AA 1 2 ? parallel AA 2 3 ? parallel AA 3 4 ? anti-parallel AA 4 5 ? anti-parallel AB 1 2 ? parallel AB 2 3 ? parallel AB 3 4 ? anti-parallel AB 4 5 ? 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 AA 1 ILE A 50 ? ARG A 55 ? ILE A 50 ARG A 55 AA 2 GLU A 19 ? GLY A 24 ? GLU A 19 GLY A 24 AA 3 MSE A 74 ? GLN A 78 ? MSE A 74 GLN A 78 AA 4 THR A 241 ? SER A 253 ? THR A 241 SER A 253 AA 5 ILE A 102 ? ARG A 118 ? ILE A 102 ARG A 118 AB 1 ILE A 50 ? ARG A 55 ? ILE A 50 ARG A 55 AB 2 GLU A 19 ? GLY A 24 ? GLU A 19 GLY A 24 AB 3 MSE A 74 ? GLN A 78 ? MSE A 74 GLN A 78 AB 4 THR A 241 ? SER A 253 ? THR A 241 SER A 253 AB 5 VAL A 225 ? ILE A 229 ? VAL A 225 ILE A 229 # 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 AA 1 2 N ARG A 51 ? N ARG A 51 O GLU A 19 ? O GLU A 19 AA 2 3 N GLY A 24 ? N GLY A 24 O MSE A 74 ? O MSE A 74 AA 3 4 N ALA A 77 ? N ALA A 77 O MSE A 249 ? O MSE A 249 AA 4 5 N ALA A 252 ? N ALA A 252 O ARG A 103 ? O ARG A 103 AB 1 2 N ARG A 51 ? N ARG A 51 O GLU A 19 ? O GLU A 19 AB 2 3 N GLY A 24 ? N GLY A 24 O MSE A 74 ? O MSE A 74 AB 3 4 N ALA A 77 ? N ALA A 77 O MSE A 249 ? O MSE A 249 AB 4 5 N ALA A 245 ? N ALA A 245 O VAL A 225 ? O VAL A 225 # 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 ? ? ? ? 15 'BINDING SITE FOR RESIDUE GLU A1313' AC2 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE EDO A1314' # 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 15 VAL A 31 ? VAL A 31 . ? 1_555 ? 2 AC1 15 TYR A 32 ? TYR A 32 . ? 1_555 ? 3 AC1 15 SER A 60 ? SER A 60 . ? 1_555 ? 4 AC1 15 GLN A 78 ? GLN A 78 . ? 1_555 ? 5 AC1 15 GLU A 111 ? GLU A 111 . ? 1_555 ? 6 AC1 15 SER A 141 ? SER A 141 . ? 1_555 ? 7 AC1 15 GLY A 142 ? GLY A 142 . ? 1_555 ? 8 AC1 15 THR A 143 ? THR A 143 . ? 1_555 ? 9 AC1 15 TYR A 186 ? TYR A 186 . ? 1_555 ? 10 AC1 15 THR A 187 ? THR A 187 . ? 1_555 ? 11 AC1 15 VAL A 188 ? VAL A 188 . ? 1_555 ? 12 AC1 15 HOH D . ? HOH A 2007 . ? 1_555 ? 13 AC1 15 HOH D . ? HOH A 2047 . ? 1_555 ? 14 AC1 15 HOH D . ? HOH A 2087 . ? 1_555 ? 15 AC1 15 HOH D . ? HOH A 2234 . ? 1_555 ? 16 AC2 9 GLY A 137 ? GLY A 137 . ? 1_555 ? 17 AC2 9 ASP A 138 ? ASP A 138 . ? 1_555 ? 18 AC2 9 THR A 143 ? THR A 143 . ? 1_555 ? 19 AC2 9 VAL A 167 ? VAL A 167 . ? 1_555 ? 20 AC2 9 SER A 168 ? SER A 168 . ? 1_555 ? 21 AC2 9 ALA A 169 ? ALA A 169 . ? 1_555 ? 22 AC2 9 PHE A 185 ? PHE A 185 . ? 1_555 ? 23 AC2 9 TYR A 186 ? TYR A 186 . ? 1_555 ? 24 AC2 9 HOH D . ? HOH A 2235 . ? 1_555 ? # _database_PDB_matrix.entry_id 1US4 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 1US4 _atom_sites.fract_transf_matrix[1][1] 0.019411 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.014686 _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] 0.012288 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S SE # 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 . ALA A 1 17 ? 29.616 19.883 77.365 1.00 40.62 ? 17 ALA A N 1 ATOM 2 C CA . ALA A 1 17 ? 30.652 19.487 76.370 1.00 41.35 ? 17 ALA A CA 1 ATOM 3 C C . ALA A 1 17 ? 30.032 18.663 75.246 1.00 39.93 ? 17 ALA A C 1 ATOM 4 O O . ALA A 1 17 ? 30.674 17.773 74.688 1.00 44.02 ? 17 ALA A O 1 ATOM 5 C CB . ALA A 1 17 ? 31.752 18.688 77.059 1.00 40.62 ? 17 ALA A CB 1 ATOM 6 N N . GLN A 1 18 ? 28.780 18.967 74.918 1.00 36.30 ? 18 GLN A N 1 ATOM 7 C CA . GLN A 1 18 ? 28.068 18.256 73.866 1.00 29.80 ? 18 GLN A CA 1 ATOM 8 C C . GLN A 1 18 ? 28.393 18.812 72.484 1.00 23.06 ? 18 GLN A C 1 ATOM 9 O O . GLN A 1 18 ? 28.645 18.050 71.550 1.00 20.89 ? 18 GLN A O 1 ATOM 10 C CB . GLN A 1 18 ? 26.555 18.334 74.102 1.00 35.76 ? 18 GLN A CB 1 ATOM 11 C CG . GLN A 1 18 ? 25.716 17.699 72.996 1.00 36.91 ? 18 GLN A CG 1 ATOM 12 C CD . GLN A 1 18 ? 25.223 16.304 73.344 1.00 39.77 ? 18 GLN A CD 1 ATOM 13 O OE1 . GLN A 1 18 ? 24.343 16.139 74.189 1.00 40.98 ? 18 GLN A OE1 1 ATOM 14 N NE2 . GLN A 1 18 ? 25.789 15.294 72.693 1.00 36.20 ? 18 GLN A NE2 1 ATOM 15 N N . GLU A 1 19 ? 28.392 20.136 72.347 1.00 16.21 ? 19 GLU A N 1 ATOM 16 C CA . GLU A 1 19 ? 28.677 20.739 71.051 1.00 10.17 ? 19 GLU A CA 1 ATOM 17 C C . GLU A 1 19 ? 30.104 21.239 70.914 1.00 10.03 ? 19 GLU A C 1 ATOM 18 O O . GLU A 1 19 ? 30.528 22.152 71.622 1.00 8.20 ? 19 GLU A O 1 ATOM 19 C CB . GLU A 1 19 ? 27.715 21.888 70.768 1.00 13.64 ? 19 GLU A CB 1 ATOM 20 C CG . GLU A 1 19 ? 27.766 22.344 69.325 1.00 17.92 ? 19 GLU A CG 1 ATOM 21 C CD . GLU A 1 19 ? 26.693 23.350 69.000 1.00 20.52 ? 19 GLU A CD 1 ATOM 22 O OE1 . GLU A 1 19 ? 26.627 23.787 67.830 1.00 20.51 ? 19 GLU A OE1 1 ATOM 23 O OE2 . GLU A 1 19 ? 25.920 23.702 69.917 1.00 17.88 ? 19 GLU A OE2 1 ATOM 24 N N . PHE A 1 20 ? 30.833 20.644 69.977 1.00 8.41 ? 20 PHE A N 1 ATOM 25 C CA . PHE A 1 20 ? 32.221 21.002 69.742 1.00 5.10 ? 20 PHE A CA 1 ATOM 26 C C . PHE A 1 20 ? 32.377 22.147 68.758 1.00 7.54 ? 20 PHE A C 1 ATOM 27 O O . PHE A 1 20 ? 31.749 22.173 67.696 1.00 9.10 ? 20 PHE A O 1 ATOM 28 C CB . PHE A 1 20 ? 32.987 19.771 69.252 1.00 8.45 ? 20 PHE A CB 1 ATOM 29 C CG . PHE A 1 20 ? 33.178 18.729 70.312 1.00 9.80 ? 20 PHE A CG 1 ATOM 30 C CD1 . PHE A 1 20 ? 34.383 18.633 70.997 1.00 13.12 ? 20 PHE A CD1 1 ATOM 31 C CD2 . PHE A 1 20 ? 32.139 17.866 70.654 1.00 11.49 ? 20 PHE A CD2 1 ATOM 32 C CE1 . PHE A 1 20 ? 34.556 17.694 72.010 1.00 10.99 ? 20 PHE A CE1 1 ATOM 33 C CE2 . PHE A 1 20 ? 32.300 16.923 71.668 1.00 13.99 ? 20 PHE A CE2 1 ATOM 34 C CZ . PHE A 1 20 ? 33.511 16.838 72.347 1.00 16.61 ? 20 PHE A CZ 1 ATOM 35 N N . ILE A 1 21 ? 33.220 23.100 69.135 1.00 3.76 ? 21 ILE A N 1 ATOM 36 C CA . ILE A 1 21 ? 33.486 24.266 68.311 1.00 4.11 ? 21 ILE A CA 1 ATOM 37 C C . ILE A 1 21 ? 34.987 24.458 68.176 1.00 5.48 ? 21 ILE A C 1 ATOM 38 O O . ILE A 1 21 ? 35.694 24.599 69.172 1.00 5.92 ? 21 ILE A O 1 ATOM 39 C CB . ILE A 1 21 ? 32.896 25.541 68.947 1.00 6.03 ? 21 ILE A CB 1 ATOM 40 C CG1 . ILE A 1 21 ? 31.372 25.427 69.031 1.00 10.15 ? 21 ILE A CG1 1 ATOM 41 C CG2 . ILE A 1 21 ? 33.325 26.771 68.155 1.00 10.39 ? 21 ILE A CG2 1 ATOM 42 C CD1 . ILE A 1 21 ? 30.680 25.284 67.696 1.00 15.54 ? 21 ILE A CD1 1 ATOM 43 N N . THR A 1 22 ? 35.474 24.435 66.943 1.00 3.82 ? 22 THR A N 1 ATOM 44 C CA . THR A 1 22 ? 36.887 24.661 66.686 1.00 4.86 ? 22 THR A CA 1 ATOM 45 C C . THR A 1 22 ? 36.978 26.051 66.072 1.00 7.03 ? 22 THR A C 1 ATOM 46 O O . THR A 1 22 ? 36.240 26.371 65.140 1.00 8.08 ? 22 THR A O 1 ATOM 47 C CB . THR A 1 22 ? 37.469 23.614 65.716 1.00 5.38 ? 22 THR A CB 1 ATOM 48 O OG1 . THR A 1 22 ? 37.550 22.347 66.385 1.00 6.91 ? 22 THR A OG1 1 ATOM 49 C CG2 . THR A 1 22 ? 38.867 24.027 65.259 1.00 9.31 ? 22 THR A CG2 1 ATOM 50 N N . ILE A 1 23 ? 37.872 26.873 66.617 1.00 3.99 ? 23 ILE A N 1 ATOM 51 C CA . ILE A 1 23 ? 38.057 28.246 66.162 1.00 3.94 ? 23 ILE A CA 1 ATOM 52 C C . ILE A 1 23 ? 39.371 28.395 65.407 1.00 5.67 ? 23 ILE A C 1 ATOM 53 O O . ILE A 1 23 ? 40.446 28.272 65.997 1.00 6.00 ? 23 ILE A O 1 ATOM 54 C CB . ILE A 1 23 ? 38.081 29.229 67.362 1.00 2.72 ? 23 ILE A CB 1 ATOM 55 C CG1 . ILE A 1 23 ? 36.843 29.025 68.239 1.00 6.01 ? 23 ILE A CG1 1 ATOM 56 C CG2 . ILE A 1 23 ? 38.140 30.666 66.856 1.00 4.96 ? 23 ILE A CG2 1 ATOM 57 C CD1 . ILE A 1 23 ? 36.856 29.872 69.505 1.00 9.79 ? 23 ILE A CD1 1 ATOM 58 N N . GLY A 1 24 ? 39.281 28.648 64.103 1.00 3.07 ? 24 GLY A N 1 ATOM 59 C CA . GLY A 1 24 ? 40.481 28.823 63.304 1.00 4.03 ? 24 GLY A CA 1 ATOM 60 C C . GLY A 1 24 ? 41.154 30.118 63.708 1.00 3.51 ? 24 GLY A C 1 ATOM 61 O O . GLY A 1 24 ? 40.473 31.090 64.032 1.00 4.70 ? 24 GLY A O 1 ATOM 62 N N . SER A 1 25 ? 42.483 30.148 63.689 1.00 4.28 ? 25 SER A N 1 ATOM 63 C CA . SER A 1 25 ? 43.197 31.357 64.090 1.00 5.37 ? 25 SER A CA 1 ATOM 64 C C . SER A 1 25 ? 44.340 31.730 63.147 1.00 4.16 ? 25 SER A C 1 ATOM 65 O O . SER A 1 25 ? 44.097 32.148 62.016 1.00 3.87 ? 25 SER A O 1 ATOM 66 C CB . SER A 1 25 ? 43.711 31.203 65.530 1.00 5.83 ? 25 SER A CB 1 ATOM 67 O OG . SER A 1 25 ? 44.586 30.095 65.665 1.00 5.08 ? 25 SER A OG 1 ATOM 68 N N . GLY A 1 26 ? 45.579 31.595 63.617 1.00 2.97 ? 26 GLY A N 1 ATOM 69 C CA . GLY A 1 26 ? 46.731 31.929 62.791 1.00 1.67 ? 26 GLY A CA 1 ATOM 70 C C . GLY A 1 26 ? 48.001 31.340 63.380 1.00 3.14 ? 26 GLY A C 1 ATOM 71 O O . GLY A 1 26 ? 47.930 30.349 64.097 1.00 6.07 ? 26 GLY A O 1 ATOM 72 N N . SER A 1 27 ? 49.157 31.931 63.081 1.00 5.13 ? 27 SER A N 1 ATOM 73 C CA . SER A 1 27 ? 50.423 31.435 63.627 1.00 5.81 ? 27 SER A CA 1 ATOM 74 C C . SER A 1 27 ? 50.365 31.483 65.150 1.00 5.21 ? 27 SER A C 1 ATOM 75 O O . SER A 1 27 ? 49.720 32.358 65.723 1.00 4.00 ? 27 SER A O 1 ATOM 76 C CB . SER A 1 27 ? 51.601 32.290 63.144 1.00 8.41 ? 27 SER A CB 1 ATOM 77 O OG . SER A 1 27 ? 51.827 32.125 61.751 1.00 9.91 ? 27 SER A OG 1 ATOM 78 N N . THR A 1 28 ? 51.032 30.541 65.810 1.00 5.64 ? 28 THR A N 1 ATOM 79 C CA . THR A 1 28 ? 51.020 30.507 67.267 1.00 7.40 ? 28 THR A CA 1 ATOM 80 C C . THR A 1 28 ? 51.600 31.769 67.894 1.00 8.11 ? 28 THR A C 1 ATOM 81 O O . THR A 1 28 ? 51.281 32.101 69.038 1.00 9.09 ? 28 THR A O 1 ATOM 82 C CB . THR A 1 28 ? 51.802 29.296 67.812 1.00 11.27 ? 28 THR A CB 1 ATOM 83 O OG1 . THR A 1 28 ? 53.151 29.343 67.335 1.00 11.47 ? 28 THR A OG1 1 ATOM 84 C CG2 . THR A 1 28 ? 51.151 28.000 67.369 1.00 15.15 ? 28 THR A CG2 1 ATOM 85 N N . THR A 1 29 ? 52.443 32.476 67.146 1.00 7.61 ? 29 THR A N 1 ATOM 86 C CA . THR A 1 29 ? 53.063 33.693 67.657 1.00 7.32 ? 29 THR A CA 1 ATOM 87 C C . THR A 1 29 ? 52.431 34.975 67.114 1.00 7.28 ? 29 THR A C 1 ATOM 88 O O . THR A 1 29 ? 53.032 36.051 67.153 1.00 6.58 ? 29 THR A O 1 ATOM 89 C CB . THR A 1 29 ? 54.588 33.688 67.389 1.00 8.78 ? 29 THR A CB 1 ATOM 90 O OG1 . THR A 1 29 ? 54.838 33.381 66.015 1.00 8.61 ? 29 THR A OG1 1 ATOM 91 C CG2 . THR A 1 29 ? 55.271 32.643 68.269 1.00 9.45 ? 29 THR A CG2 1 ATOM 92 N N . GLY A 1 30 ? 51.210 34.844 66.607 1.00 5.40 ? 30 GLY A N 1 ATOM 93 C CA . GLY A 1 30 ? 50.473 35.995 66.118 1.00 2.87 ? 30 GLY A CA 1 ATOM 94 C C . GLY A 1 30 ? 49.526 36.422 67.234 1.00 5.33 ? 30 GLY A C 1 ATOM 95 O O . GLY A 1 30 ? 49.788 36.151 68.412 1.00 6.85 ? 30 GLY A O 1 ATOM 96 N N . VAL A 1 31 ? 48.427 37.081 66.884 1.00 4.72 ? 31 VAL A N 1 ATOM 97 C CA . VAL A 1 31 ? 47.465 37.521 67.885 1.00 4.53 ? 31 VAL A CA 1 ATOM 98 C C . VAL A 1 31 ? 46.180 36.690 67.813 1.00 3.73 ? 31 VAL A C 1 ATOM 99 O O . VAL A 1 31 ? 45.527 36.446 68.829 1.00 3.42 ? 31 VAL A O 1 ATOM 100 C CB . VAL A 1 31 ? 47.150 39.031 67.724 1.00 3.84 ? 31 VAL A CB 1 ATOM 101 C CG1 . VAL A 1 31 ? 46.087 39.459 68.733 1.00 4.30 ? 31 VAL A CG1 1 ATOM 102 C CG2 . VAL A 1 31 ? 48.421 39.844 67.949 1.00 4.81 ? 31 VAL A CG2 1 ATOM 103 N N . TYR A 1 32 ? 45.818 36.248 66.614 1.00 5.53 ? 32 TYR A N 1 ATOM 104 C CA . TYR A 1 32 ? 44.624 35.419 66.458 1.00 4.35 ? 32 TYR A CA 1 ATOM 105 C C . TYR A 1 32 ? 44.677 34.189 67.370 1.00 5.99 ? 32 TYR A C 1 ATOM 106 O O . TYR A 1 32 ? 43.697 33.857 68.042 1.00 4.64 ? 32 TYR A O 1 ATOM 107 C CB . TYR A 1 32 ? 44.496 34.901 65.026 1.00 3.34 ? 32 TYR A CB 1 ATOM 108 C CG . TYR A 1 32 ? 43.968 35.859 63.986 1.00 3.25 ? 32 TYR A CG 1 ATOM 109 C CD1 . TYR A 1 32 ? 43.628 37.179 64.297 1.00 4.87 ? 32 TYR A CD1 1 ATOM 110 C CD2 . TYR A 1 32 ? 43.808 35.429 62.670 1.00 1.25 ? 32 TYR A CD2 1 ATOM 111 C CE1 . TYR A 1 32 ? 43.141 38.046 63.307 1.00 3.89 ? 32 TYR A CE1 1 ATOM 112 C CE2 . TYR A 1 32 ? 43.327 36.274 61.687 1.00 3.98 ? 32 TYR A CE2 1 ATOM 113 C CZ . TYR A 1 32 ? 42.999 37.576 62.003 1.00 4.54 ? 32 TYR A CZ 1 ATOM 114 O OH . TYR A 1 32 ? 42.561 38.398 60.990 1.00 6.50 ? 32 TYR A OH 1 ATOM 115 N N . PHE A 1 33 ? 45.819 33.503 67.373 1.00 5.62 ? 33 PHE A N 1 ATOM 116 C CA . PHE A 1 33 ? 45.963 32.286 68.168 1.00 4.68 ? 33 PHE A CA 1 ATOM 117 C C . PHE A 1 33 ? 45.726 32.464 69.672 1.00 5.83 ? 33 PHE A C 1 ATOM 118 O O . PHE A 1 33 ? 44.928 31.736 70.260 1.00 3.67 ? 33 PHE A O 1 ATOM 119 C CB . PHE A 1 33 ? 47.332 31.642 67.922 1.00 4.36 ? 33 PHE A CB 1 ATOM 120 C CG . PHE A 1 33 ? 47.491 30.309 68.588 1.00 4.30 ? 33 PHE A CG 1 ATOM 121 C CD1 . PHE A 1 33 ? 46.773 29.207 68.138 1.00 5.65 ? 33 PHE A CD1 1 ATOM 122 C CD2 . PHE A 1 33 ? 48.322 30.162 69.692 1.00 7.05 ? 33 PHE A CD2 1 ATOM 123 C CE1 . PHE A 1 33 ? 46.880 27.970 68.783 1.00 8.77 ? 33 PHE A CE1 1 ATOM 124 C CE2 . PHE A 1 33 ? 48.434 28.934 70.342 1.00 7.21 ? 33 PHE A CE2 1 ATOM 125 C CZ . PHE A 1 33 ? 47.710 27.837 69.886 1.00 6.78 ? 33 PHE A CZ 1 ATOM 126 N N . PRO A 1 34 ? 46.420 33.417 70.319 1.00 4.62 ? 34 PRO A N 1 ATOM 127 C CA . PRO A 1 34 ? 46.168 33.572 71.757 1.00 7.42 ? 34 PRO A CA 1 ATOM 128 C C . PRO A 1 34 ? 44.745 34.060 72.053 1.00 5.41 ? 34 PRO A C 1 ATOM 129 O O . PRO A 1 34 ? 44.174 33.716 73.085 1.00 8.02 ? 34 PRO A O 1 ATOM 130 C CB . PRO A 1 34 ? 47.250 34.564 72.207 1.00 7.55 ? 34 PRO A CB 1 ATOM 131 C CG . PRO A 1 34 ? 47.606 35.306 70.951 1.00 6.18 ? 34 PRO A CG 1 ATOM 132 C CD . PRO A 1 34 ? 47.572 34.230 69.894 1.00 4.26 ? 34 PRO A CD 1 ATOM 133 N N . VAL A 1 35 ? 44.176 34.858 71.149 1.00 1.70 ? 35 VAL A N 1 ATOM 134 C CA . VAL A 1 35 ? 42.813 35.346 71.338 1.00 4.14 ? 35 VAL A CA 1 ATOM 135 C C . VAL A 1 35 ? 41.831 34.177 71.232 1.00 3.90 ? 35 VAL A C 1 ATOM 136 O O . VAL A 1 35 ? 40.954 34.008 72.083 1.00 5.72 ? 35 VAL A O 1 ATOM 137 C CB . VAL A 1 35 ? 42.445 36.423 70.283 1.00 6.92 ? 35 VAL A CB 1 ATOM 138 C CG1 . VAL A 1 35 ? 40.954 36.729 70.343 1.00 5.58 ? 35 VAL A CG1 1 ATOM 139 C CG2 . VAL A 1 35 ? 43.237 37.694 70.549 1.00 6.51 ? 35 VAL A CG2 1 ATOM 140 N N . ALA A 1 36 ? 41.985 33.365 70.190 1.00 4.37 ? 36 ALA A N 1 ATOM 141 C CA . ALA A 1 36 ? 41.106 32.213 69.997 1.00 3.13 ? 36 ALA A CA 1 ATOM 142 C C . ALA A 1 36 ? 41.260 31.234 71.156 1.00 5.22 ? 36 ALA A C 1 ATOM 143 O O . ALA A 1 36 ? 40.285 30.649 71.628 1.00 5.12 ? 36 ALA A O 1 ATOM 144 C CB . ALA A 1 36 ? 41.436 31.513 68.685 1.00 2.24 ? 36 ALA A CB 1 ATOM 145 N N . THR A 1 37 ? 42.495 31.043 71.595 1.00 3.95 ? 37 THR A N 1 ATOM 146 C CA . THR A 1 37 ? 42.775 30.135 72.698 1.00 3.68 ? 37 THR A CA 1 ATOM 147 C C . THR A 1 37 ? 42.071 30.652 73.946 1.00 7.42 ? 37 THR A C 1 ATOM 148 O O . THR A 1 37 ? 41.410 29.892 74.660 1.00 8.57 ? 37 THR A O 1 ATOM 149 C CB . THR A 1 37 ? 44.290 30.035 72.942 1.00 7.71 ? 37 THR A CB 1 ATOM 150 O OG1 . THR A 1 37 ? 44.908 29.411 71.809 1.00 8.06 ? 37 THR A OG1 1 ATOM 151 C CG2 . THR A 1 37 ? 44.582 29.221 74.188 1.00 8.80 ? 37 THR A CG2 1 ATOM 152 N N . GLY A 1 38 ? 42.199 31.953 74.189 1.00 5.91 ? 38 GLY A N 1 ATOM 153 C CA . GLY A 1 38 ? 41.557 32.559 75.344 1.00 7.56 ? 38 GLY A CA 1 ATOM 154 C C . GLY A 1 38 ? 40.041 32.475 75.257 1.00 5.44 ? 38 GLY A C 1 ATOM 155 O O . GLY A 1 38 ? 39.364 32.213 76.254 1.00 7.27 ? 38 GLY A O 1 ATOM 156 N N . ILE A 1 39 ? 39.500 32.698 74.065 1.00 4.51 ? 39 ILE A N 1 ATOM 157 C CA . ILE A 1 39 ? 38.053 32.633 73.881 1.00 6.44 ? 39 ILE A CA 1 ATOM 158 C C . ILE A 1 39 ? 37.556 31.220 74.165 1.00 6.31 ? 39 ILE A C 1 ATOM 159 O O . ILE A 1 39 ? 36.550 31.030 74.854 1.00 5.26 ? 39 ILE A O 1 ATOM 160 C CB . ILE A 1 39 ? 37.654 33.059 72.447 1.00 4.66 ? 39 ILE A CB 1 ATOM 161 C CG1 . ILE A 1 39 ? 37.827 34.573 72.298 1.00 6.41 ? 39 ILE A CG1 1 ATOM 162 C CG2 . ILE A 1 39 ? 36.212 32.657 72.151 1.00 7.29 ? 39 ILE A CG2 1 ATOM 163 C CD1 . ILE A 1 39 ? 37.558 35.098 70.886 1.00 6.40 ? 39 ILE A CD1 1 ATOM 164 N N . ALA A 1 40 ? 38.268 30.226 73.645 1.00 5.26 ? 40 ALA A N 1 ATOM 165 C CA . ALA A 1 40 ? 37.876 28.837 73.861 1.00 7.94 ? 40 ALA A CA 1 ATOM 166 C C . ALA A 1 40 ? 37.859 28.509 75.357 1.00 8.94 ? 40 ALA A C 1 ATOM 167 O O . ALA A 1 40 ? 36.927 27.874 75.850 1.00 7.01 ? 40 ALA A O 1 ATOM 168 C CB . ALA A 1 40 ? 38.833 27.896 73.123 1.00 5.74 ? 40 ALA A CB 1 ATOM 169 N N . LYS A 1 41 ? 38.881 28.949 76.084 1.00 5.09 ? 41 LYS A N 1 ATOM 170 C CA . LYS A 1 41 ? 38.937 28.673 77.516 1.00 6.87 ? 41 LYS A CA 1 ATOM 171 C C . LYS A 1 41 ? 37.785 29.339 78.258 1.00 6.97 ? 41 LYS A C 1 ATOM 172 O O . LYS A 1 41 ? 37.188 28.748 79.158 1.00 7.56 ? 41 LYS A O 1 ATOM 173 C CB . LYS A 1 41 ? 40.266 29.150 78.107 1.00 7.05 ? 41 LYS A CB 1 ATOM 174 C CG . LYS A 1 41 ? 41.446 28.252 77.797 1.00 9.88 ? 41 LYS A CG 1 ATOM 175 C CD . LYS A 1 41 ? 42.694 28.730 78.518 1.00 15.67 ? 41 LYS A CD 1 ATOM 176 C CE . LYS A 1 41 ? 43.863 27.795 78.277 1.00 22.94 ? 41 LYS A CE 1 ATOM 177 N NZ . LYS A 1 41 ? 44.172 27.675 76.828 1.00 32.17 ? 41 LYS A NZ 1 ATOM 178 N N . LEU A 1 42 ? 37.466 30.567 77.867 1.00 5.10 ? 42 LEU A N 1 ATOM 179 C CA . LEU A 1 42 ? 36.397 31.315 78.514 1.00 7.07 ? 42 LEU A CA 1 ATOM 180 C C . LEU A 1 42 ? 35.031 30.671 78.299 1.00 10.01 ? 42 LEU A C 1 ATOM 181 O O . LEU A 1 42 ? 34.236 30.573 79.234 1.00 7.12 ? 42 LEU A O 1 ATOM 182 C CB . LEU A 1 42 ? 36.391 32.763 78.010 1.00 5.35 ? 42 LEU A CB 1 ATOM 183 C CG . LEU A 1 42 ? 35.509 33.767 78.753 1.00 13.07 ? 42 LEU A CG 1 ATOM 184 C CD1 . LEU A 1 42 ? 35.812 33.728 80.252 1.00 10.49 ? 42 LEU A CD1 1 ATOM 185 C CD2 . LEU A 1 42 ? 35.762 35.160 78.196 1.00 11.47 ? 42 LEU A CD2 1 ATOM 186 N N . VAL A 1 43 ? 34.749 30.218 77.082 1.00 4.93 ? 43 VAL A N 1 ATOM 187 C CA . VAL A 1 43 ? 33.453 29.598 76.838 1.00 7.48 ? 43 VAL A CA 1 ATOM 188 C C . VAL A 1 43 ? 33.381 28.232 77.518 1.00 6.41 ? 43 VAL A C 1 ATOM 189 O O . VAL A 1 43 ? 32.317 27.814 77.963 1.00 5.73 ? 43 VAL A O 1 ATOM 190 C CB . VAL A 1 43 ? 33.150 29.444 75.325 1.00 10.51 ? 43 VAL A CB 1 ATOM 191 C CG1 . VAL A 1 43 ? 34.133 28.495 74.681 1.00 11.60 ? 43 VAL A CG1 1 ATOM 192 C CG2 . VAL A 1 43 ? 31.715 28.949 75.140 1.00 12.34 ? 43 VAL A CG2 1 ATOM 193 N N . ASN A 1 44 ? 34.514 27.541 77.605 1.00 6.60 ? 44 ASN A N 1 ATOM 194 C CA . ASN A 1 44 ? 34.539 26.234 78.256 1.00 5.79 ? 44 ASN A CA 1 ATOM 195 C C . ASN A 1 44 ? 34.255 26.407 79.745 1.00 9.14 ? 44 ASN A C 1 ATOM 196 O O . ASN A 1 44 ? 33.555 25.596 80.353 1.00 9.83 ? 44 ASN A O 1 ATOM 197 C CB . ASN A 1 44 ? 35.902 25.558 78.068 1.00 8.61 ? 44 ASN A CB 1 ATOM 198 C CG . ASN A 1 44 ? 36.098 25.013 76.663 1.00 7.75 ? 44 ASN A CG 1 ATOM 199 O OD1 . ASN A 1 44 ? 37.198 24.588 76.295 1.00 11.58 ? 44 ASN A OD1 1 ATOM 200 N ND2 . ASN A 1 44 ? 35.031 25.015 75.873 1.00 6.99 ? 44 ASN A ND2 1 ATOM 201 N N . ASP A 1 45 ? 34.797 27.475 80.323 1.00 6.43 ? 45 ASP A N 1 ATOM 202 C CA . ASP A 1 45 ? 34.608 27.756 81.746 1.00 8.28 ? 45 ASP A CA 1 ATOM 203 C C . ASP A 1 45 ? 33.174 28.164 82.084 1.00 9.67 ? 45 ASP A C 1 ATOM 204 O O . ASP A 1 45 ? 32.781 28.147 83.251 1.00 8.42 ? 45 ASP A O 1 ATOM 205 C CB . ASP A 1 45 ? 35.540 28.881 82.204 1.00 8.92 ? 45 ASP A CB 1 ATOM 206 C CG . ASP A 1 45 ? 37.009 28.513 82.113 1.00 7.61 ? 45 ASP A CG 1 ATOM 207 O OD1 . ASP A 1 45 ? 37.341 27.308 82.068 1.00 14.02 ? 45 ASP A OD1 1 ATOM 208 O OD2 . ASP A 1 45 ? 37.836 29.446 82.111 1.00 14.38 ? 45 ASP A OD2 1 ATOM 209 N N . ALA A 1 46 ? 32.402 28.539 81.068 1.00 7.01 ? 46 ALA A N 1 ATOM 210 C CA . ALA A 1 46 ? 31.023 28.969 81.274 1.00 8.99 ? 46 ALA A CA 1 ATOM 211 C C . ALA A 1 46 ? 30.059 27.807 81.482 1.00 9.63 ? 46 ALA A C 1 ATOM 212 O O . ALA A 1 46 ? 28.930 28.009 81.926 1.00 9.50 ? 46 ALA A O 1 ATOM 213 C CB . ALA A 1 46 ? 30.563 29.826 80.100 1.00 8.62 ? 46 ALA A CB 1 ATOM 214 N N . ASN A 1 47 ? 30.501 26.599 81.148 1.00 8.36 ? 47 ASN A N 1 ATOM 215 C CA . ASN A 1 47 ? 29.681 25.403 81.323 1.00 12.65 ? 47 ASN A CA 1 ATOM 216 C C . ASN A 1 47 ? 28.314 25.542 80.670 1.00 13.34 ? 47 ASN A C 1 ATOM 217 O O . ASN A 1 47 ? 27.288 25.335 81.318 1.00 15.30 ? 47 ASN A O 1 ATOM 218 C CB . ASN A 1 47 ? 29.497 25.122 82.817 1.00 15.41 ? 47 ASN A CB 1 ATOM 219 C CG . ASN A 1 47 ? 30.812 25.071 83.564 1.00 17.59 ? 47 ASN A CG 1 ATOM 220 O OD1 . ASN A 1 47 ? 31.003 25.771 84.561 1.00 17.04 ? 47 ASN A OD1 1 ATOM 221 N ND2 . ASN A 1 47 ? 31.730 24.238 83.087 1.00 17.36 ? 47 ASN A ND2 1 ATOM 222 N N . VAL A 1 48 ? 28.298 25.879 79.386 1.00 11.44 ? 48 VAL A N 1 ATOM 223 C CA . VAL A 1 48 ? 27.039 26.048 78.676 1.00 9.99 ? 48 VAL A CA 1 ATOM 224 C C . VAL A 1 48 ? 26.810 25.009 77.579 1.00 12.37 ? 48 VAL A C 1 ATOM 225 O O . VAL A 1 48 ? 26.060 25.250 76.633 1.00 13.44 ? 48 VAL A O 1 ATOM 226 C CB . VAL A 1 48 ? 26.942 27.464 78.070 1.00 10.20 ? 48 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 48 ? 26.927 28.503 79.191 1.00 12.71 ? 48 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 48 ? 28.117 27.714 77.134 1.00 12.97 ? 48 VAL A CG2 1 ATOM 229 N N . GLY A 1 49 ? 27.456 23.855 77.711 1.00 10.05 ? 49 GLY A N 1 ATOM 230 C CA . GLY A 1 49 ? 27.283 22.798 76.730 1.00 11.67 ? 49 GLY A CA 1 ATOM 231 C C . GLY A 1 49 ? 28.173 22.900 75.507 1.00 12.08 ? 49 GLY A C 1 ATOM 232 O O . GLY A 1 49 ? 27.983 22.169 74.530 1.00 14.83 ? 49 GLY A O 1 ATOM 233 N N . ILE A 1 50 ? 29.143 23.807 75.551 1.00 6.35 ? 50 ILE A N 1 ATOM 234 C CA . ILE A 1 50 ? 30.069 23.987 74.439 1.00 9.62 ? 50 ILE A CA 1 ATOM 235 C C . ILE A 1 50 ? 31.485 23.562 74.824 1.00 7.58 ? 50 ILE A C 1 ATOM 236 O O . ILE A 1 50 ? 31.957 23.865 75.915 1.00 8.44 ? 50 ILE A O 1 ATOM 237 C CB . ILE A 1 50 ? 30.116 25.468 73.981 1.00 8.16 ? 50 ILE A CB 1 ATOM 238 C CG1 . ILE A 1 50 ? 28.765 25.881 73.392 1.00 6.84 ? 50 ILE A CG1 1 ATOM 239 C CG2 . ILE A 1 50 ? 31.231 25.662 72.953 1.00 10.17 ? 50 ILE A CG2 1 ATOM 240 C CD1 . ILE A 1 50 ? 28.680 27.357 73.012 1.00 6.92 ? 50 ILE A CD1 1 ATOM 241 N N . ARG A 1 51 ? 32.151 22.848 73.920 1.00 8.18 ? 51 ARG A N 1 ATOM 242 C CA . ARG A 1 51 ? 33.529 22.406 74.131 1.00 7.01 ? 51 ARG A CA 1 ATOM 243 C C . ARG A 1 51 ? 34.327 23.014 72.981 1.00 4.53 ? 51 ARG A C 1 ATOM 244 O O . ARG A 1 51 ? 34.284 22.518 71.862 1.00 6.05 ? 51 ARG A O 1 ATOM 245 C CB . ARG A 1 51 ? 33.614 20.879 74.078 1.00 11.46 ? 51 ARG A CB 1 ATOM 246 C CG . ARG A 1 51 ? 35.030 20.326 74.084 1.00 16.02 ? 51 ARG A CG 1 ATOM 247 C CD . ARG A 1 51 ? 35.756 20.621 75.383 1.00 21.40 ? 51 ARG A CD 1 ATOM 248 N NE . ARG A 1 51 ? 37.068 19.981 75.416 1.00 24.38 ? 51 ARG A NE 1 ATOM 249 C CZ . ARG A 1 51 ? 37.928 20.089 76.425 1.00 31.57 ? 51 ARG A CZ 1 ATOM 250 N NH1 . ARG A 1 51 ? 37.618 20.813 77.492 1.00 28.35 ? 51 ARG A NH1 1 ATOM 251 N NH2 . ARG A 1 51 ? 39.100 19.470 76.367 1.00 31.90 ? 51 ARG A NH2 1 ATOM 252 N N . ALA A 1 52 ? 35.046 24.095 73.263 1.00 6.19 ? 52 ALA A N 1 ATOM 253 C CA . ALA A 1 52 ? 35.808 24.791 72.234 1.00 4.71 ? 52 ALA A CA 1 ATOM 254 C C . ALA A 1 52 ? 37.318 24.606 72.300 1.00 5.54 ? 52 ALA A C 1 ATOM 255 O O . ALA A 1 52 ? 37.883 24.326 73.356 1.00 4.96 ? 52 ALA A O 1 ATOM 256 C CB . ALA A 1 52 ? 35.477 26.286 72.284 1.00 7.17 ? 52 ALA A CB 1 ATOM 257 N N . ASN A 1 53 ? 37.961 24.765 71.147 1.00 7.48 ? 53 ASN A N 1 ATOM 258 C CA . ASN A 1 53 ? 39.410 24.670 71.047 1.00 7.51 ? 53 ASN A CA 1 ATOM 259 C C . ASN A 1 53 ? 39.857 25.576 69.906 1.00 5.29 ? 53 ASN A C 1 ATOM 260 O O . ASN A 1 53 ? 39.102 25.812 68.964 1.00 7.99 ? 53 ASN A O 1 ATOM 261 C CB . ASN A 1 53 ? 39.860 23.224 70.781 1.00 8.02 ? 53 ASN A CB 1 ATOM 262 C CG . ASN A 1 53 ? 39.554 22.756 69.368 1.00 10.60 ? 53 ASN A CG 1 ATOM 263 O OD1 . ASN A 1 53 ? 38.395 22.646 68.975 1.00 7.97 ? 53 ASN A OD1 1 ATOM 264 N ND2 . ASN A 1 53 ? 40.602 22.470 68.598 1.00 12.18 ? 53 ASN A ND2 1 ATOM 265 N N . ALA A 1 54 ? 41.068 26.110 70.006 1.00 4.12 ? 54 ALA A N 1 ATOM 266 C CA . ALA A 1 54 ? 41.595 26.967 68.951 1.00 4.35 ? 54 ALA A CA 1 ATOM 267 C C . ALA A 1 54 ? 42.540 26.128 68.108 1.00 9.19 ? 54 ALA A C 1 ATOM 268 O O . ALA A 1 54 ? 43.160 25.189 68.610 1.00 12.99 ? 54 ALA A O 1 ATOM 269 C CB . ALA A 1 54 ? 42.346 28.144 69.549 1.00 6.46 ? 54 ALA A CB 1 ATOM 270 N N . ARG A 1 55 ? 42.646 26.465 66.827 1.00 4.36 ? 55 ARG A N 1 ATOM 271 C CA . ARG A 1 55 ? 43.529 25.743 65.921 1.00 7.02 ? 55 ARG A CA 1 ATOM 272 C C . ARG A 1 55 ? 44.419 26.738 65.191 1.00 3.93 ? 55 ARG A C 1 ATOM 273 O O . ARG A 1 55 ? 43.918 27.704 64.621 1.00 6.00 ? 55 ARG A O 1 ATOM 274 C CB . ARG A 1 55 ? 42.700 24.949 64.902 1.00 7.66 ? 55 ARG A CB 1 ATOM 275 C CG . ARG A 1 55 ? 43.494 24.407 63.724 1.00 15.13 ? 55 ARG A CG 1 ATOM 276 C CD . ARG A 1 55 ? 44.533 23.397 64.174 1.00 21.21 ? 55 ARG A CD 1 ATOM 277 N NE . ARG A 1 55 ? 43.950 22.091 64.472 1.00 20.10 ? 55 ARG A NE 1 ATOM 278 C CZ . ARG A 1 55 ? 43.620 21.192 63.550 1.00 19.56 ? 55 ARG A CZ 1 ATOM 279 N NH1 . ARG A 1 55 ? 43.814 21.454 62.265 1.00 19.11 ? 55 ARG A NH1 1 ATOM 280 N NH2 . ARG A 1 55 ? 43.110 20.020 63.912 1.00 11.26 ? 55 ARG A NH2 1 ATOM 281 N N . SER A 1 56 ? 45.732 26.521 65.219 1.00 5.87 ? 56 SER A N 1 ATOM 282 C CA . SER A 1 56 ? 46.639 27.416 64.500 1.00 6.09 ? 56 SER A CA 1 ATOM 283 C C . SER A 1 56 ? 46.470 27.116 63.015 1.00 9.08 ? 56 SER A C 1 ATOM 284 O O . SER A 1 56 ? 46.271 25.961 62.621 1.00 8.57 ? 56 SER A O 1 ATOM 285 C CB . SER A 1 56 ? 48.097 27.191 64.926 1.00 7.73 ? 56 SER A CB 1 ATOM 286 O OG . SER A 1 56 ? 48.523 25.868 64.655 1.00 7.21 ? 56 SER A OG 1 ATOM 287 N N . THR A 1 57 ? 46.544 28.155 62.190 1.00 4.61 ? 57 THR A N 1 ATOM 288 C CA . THR A 1 57 ? 46.366 27.999 60.750 1.00 6.27 ? 57 THR A CA 1 ATOM 289 C C . THR A 1 57 ? 47.173 29.058 60.012 1.00 4.19 ? 57 THR A C 1 ATOM 290 O O . THR A 1 57 ? 47.892 29.842 60.627 1.00 6.38 ? 57 THR A O 1 ATOM 291 C CB . THR A 1 57 ? 44.905 28.210 60.338 1.00 10.51 ? 57 THR A CB 1 ATOM 292 O OG1 . THR A 1 57 ? 44.586 29.603 60.463 1.00 7.46 ? 57 THR A OG1 1 ATOM 293 C CG2 . THR A 1 57 ? 43.959 27.394 61.219 1.00 8.43 ? 57 THR A CG2 1 ATOM 294 N N . GLY A 1 58 ? 47.024 29.084 58.692 1.00 5.04 ? 58 GLY A N 1 ATOM 295 C CA . GLY A 1 58 ? 47.730 30.066 57.887 1.00 4.96 ? 58 GLY A CA 1 ATOM 296 C C . GLY A 1 58 ? 47.093 31.447 57.936 1.00 5.82 ? 58 GLY A C 1 ATOM 297 O O . GLY A 1 58 ? 47.687 32.425 57.477 1.00 6.11 ? 58 GLY A O 1 ATOM 298 N N . GLY A 1 59 ? 45.882 31.540 58.478 1.00 6.92 ? 59 GLY A N 1 ATOM 299 C CA . GLY A 1 59 ? 45.234 32.836 58.549 1.00 5.63 ? 59 GLY A CA 1 ATOM 300 C C . GLY A 1 59 ? 43.848 32.949 57.937 1.00 6.44 ? 59 GLY A C 1 ATOM 301 O O . GLY A 1 59 ? 43.170 31.954 57.703 1.00 3.38 ? 59 GLY A O 1 ATOM 302 N N . SER A 1 60 ? 43.451 34.184 57.647 1.00 1.63 ? 60 SER A N 1 ATOM 303 C CA . SER A 1 60 ? 42.125 34.489 57.114 1.00 2.76 ? 60 SER A CA 1 ATOM 304 C C . SER A 1 60 ? 41.579 33.652 55.960 1.00 2.23 ? 60 SER A C 1 ATOM 305 O O . SER A 1 60 ? 40.453 33.155 56.035 1.00 3.26 ? 60 SER A O 1 ATOM 306 C CB . SER A 1 60 ? 42.051 35.968 56.721 1.00 3.99 ? 60 SER A CB 1 ATOM 307 O OG . SER A 1 60 ? 42.177 36.801 57.861 1.00 4.74 ? 60 SER A OG 1 ATOM 308 N N . VAL A 1 61 ? 42.348 33.508 54.887 1.00 2.44 ? 61 VAL A N 1 ATOM 309 C CA . VAL A 1 61 ? 41.861 32.745 53.740 1.00 5.16 ? 61 VAL A CA 1 ATOM 310 C C . VAL A 1 61 ? 41.652 31.285 54.109 1.00 1.27 ? 61 VAL A C 1 ATOM 311 O O . VAL A 1 61 ? 40.598 30.713 53.827 1.00 5.00 ? 61 VAL A O 1 ATOM 312 C CB . VAL A 1 61 ? 42.827 32.858 52.540 1.00 6.81 ? 61 VAL A CB 1 ATOM 313 C CG1 . VAL A 1 61 ? 42.370 31.958 51.403 1.00 4.62 ? 61 VAL A CG1 1 ATOM 314 C CG2 . VAL A 1 61 ? 42.876 34.299 52.065 1.00 6.58 ? 61 VAL A CG2 1 ATOM 315 N N . ALA A 1 62 ? 42.647 30.696 54.762 1.00 5.23 ? 62 ALA A N 1 ATOM 316 C CA . ALA A 1 62 ? 42.566 29.302 55.186 1.00 7.21 ? 62 ALA A CA 1 ATOM 317 C C . ALA A 1 62 ? 41.392 29.101 56.140 1.00 3.83 ? 62 ALA A C 1 ATOM 318 O O . ALA A 1 62 ? 40.701 28.082 56.079 1.00 6.43 ? 62 ALA A O 1 ATOM 319 C CB . ALA A 1 62 ? 43.864 28.887 55.869 1.00 7.39 ? 62 ALA A CB 1 ATOM 320 N N . ASN A 1 63 ? 41.168 30.070 57.024 1.00 1.76 ? 63 ASN A N 1 ATOM 321 C CA . ASN A 1 63 ? 40.075 29.965 57.983 1.00 3.02 ? 63 ASN A CA 1 ATOM 322 C C . ASN A 1 63 ? 38.707 30.006 57.325 1.00 6.13 ? 63 ASN A C 1 ATOM 323 O O . ASN A 1 63 ? 37.808 29.237 57.685 1.00 3.26 ? 63 ASN A O 1 ATOM 324 C CB . ASN A 1 63 ? 40.147 31.087 59.028 1.00 2.71 ? 63 ASN A CB 1 ATOM 325 C CG . ASN A 1 63 ? 41.346 30.958 59.946 1.00 6.68 ? 63 ASN A CG 1 ATOM 326 O OD1 . ASN A 1 63 ? 41.964 29.897 60.036 1.00 6.24 ? 63 ASN A OD1 1 ATOM 327 N ND2 . ASN A 1 63 ? 41.671 32.040 60.651 1.00 3.46 ? 63 ASN A ND2 1 ATOM 328 N N . ILE A 1 64 ? 38.537 30.913 56.370 1.00 3.59 ? 64 ILE A N 1 ATOM 329 C CA . ILE A 1 64 ? 37.252 31.023 55.702 1.00 4.20 ? 64 ILE A CA 1 ATOM 330 C C . ILE A 1 64 ? 36.988 29.775 54.869 1.00 7.35 ? 64 ILE A C 1 ATOM 331 O O . ILE A 1 64 ? 35.859 29.287 54.827 1.00 5.75 ? 64 ILE A O 1 ATOM 332 C CB . ILE A 1 64 ? 37.180 32.297 54.837 1.00 2.93 ? 64 ILE A CB 1 ATOM 333 C CG1 . ILE A 1 64 ? 37.090 33.522 55.755 1.00 1.25 ? 64 ILE A CG1 1 ATOM 334 C CG2 . ILE A 1 64 ? 35.968 32.238 53.912 1.00 6.66 ? 64 ILE A CG2 1 ATOM 335 C CD1 . ILE A 1 64 ? 37.279 34.849 55.046 1.00 7.40 ? 64 ILE A CD1 1 ATOM 336 N N . ASN A 1 65 ? 38.025 29.244 54.228 1.00 6.75 ? 65 ASN A N 1 ATOM 337 C CA . ASN A 1 65 ? 37.850 28.029 53.437 1.00 8.20 ? 65 ASN A CA 1 ATOM 338 C C . ASN A 1 65 ? 37.425 26.881 54.354 1.00 6.73 ? 65 ASN A C 1 ATOM 339 O O . ASN A 1 65 ? 36.580 26.064 53.985 1.00 7.59 ? 65 ASN A O 1 ATOM 340 C CB . ASN A 1 65 ? 39.144 27.641 52.715 1.00 7.93 ? 65 ASN A CB 1 ATOM 341 C CG . ASN A 1 65 ? 39.444 28.529 51.518 1.00 10.60 ? 65 ASN A CG 1 ATOM 342 O OD1 . ASN A 1 65 ? 38.537 29.032 50.857 1.00 9.95 ? 65 ASN A OD1 1 ATOM 343 N ND2 . ASN A 1 65 ? 40.727 28.701 51.219 1.00 15.55 ? 65 ASN A ND2 1 ATOM 344 N N . ALA A 1 66 ? 38.003 26.832 55.551 1.00 4.69 ? 66 ALA A N 1 ATOM 345 C CA . ALA A 1 66 ? 37.695 25.778 56.514 1.00 5.37 ? 66 ALA A CA 1 ATOM 346 C C . ALA A 1 66 ? 36.260 25.875 57.028 1.00 7.23 ? 66 ALA A C 1 ATOM 347 O O . ALA A 1 66 ? 35.597 24.861 57.220 1.00 8.20 ? 66 ALA A O 1 ATOM 348 C CB . ALA A 1 66 ? 38.680 25.825 57.678 1.00 9.80 ? 66 ALA A CB 1 ATOM 349 N N . ILE A 1 67 ? 35.777 27.092 57.257 1.00 7.71 ? 67 ILE A N 1 ATOM 350 C CA . ILE A 1 67 ? 34.405 27.255 57.722 1.00 6.52 ? 67 ILE A CA 1 ATOM 351 C C . ILE A 1 67 ? 33.454 26.826 56.607 1.00 6.46 ? 67 ILE A C 1 ATOM 352 O O . ILE A 1 67 ? 32.467 26.132 56.852 1.00 9.51 ? 67 ILE A O 1 ATOM 353 C CB . ILE A 1 67 ? 34.098 28.721 58.117 1.00 10.31 ? 67 ILE A CB 1 ATOM 354 C CG1 . ILE A 1 67 ? 34.878 29.099 59.383 1.00 8.14 ? 67 ILE A CG1 1 ATOM 355 C CG2 . ILE A 1 67 ? 32.603 28.890 58.357 1.00 6.92 ? 67 ILE A CG2 1 ATOM 356 C CD1 . ILE A 1 67 ? 34.622 30.529 59.865 1.00 5.52 ? 67 ILE A CD1 1 ATOM 357 N N . ASN A 1 68 ? 33.762 27.218 55.375 1.00 5.67 ? 68 ASN A N 1 ATOM 358 C CA . ASN A 1 68 ? 32.906 26.854 54.255 1.00 11.65 ? 68 ASN A CA 1 ATOM 359 C C . ASN A 1 68 ? 32.872 25.342 54.059 1.00 10.54 ? 68 ASN A C 1 ATOM 360 O O . ASN A 1 68 ? 31.823 24.774 53.740 1.00 9.83 ? 68 ASN A O 1 ATOM 361 C CB . ASN A 1 68 ? 33.385 27.526 52.968 1.00 10.77 ? 68 ASN A CB 1 ATOM 362 C CG . ASN A 1 68 ? 32.466 27.244 51.789 1.00 12.05 ? 68 ASN A CG 1 ATOM 363 O OD1 . ASN A 1 68 ? 31.277 27.566 51.824 1.00 14.51 ? 68 ASN A OD1 1 ATOM 364 N ND2 . ASN A 1 68 ? 33.013 26.640 50.742 1.00 14.57 ? 68 ASN A ND2 1 ATOM 365 N N . ALA A 1 69 ? 34.020 24.698 54.256 1.00 9.91 ? 69 ALA A N 1 ATOM 366 C CA . ALA A 1 69 ? 34.139 23.250 54.090 1.00 10.98 ? 69 ALA A CA 1 ATOM 367 C C . ALA A 1 69 ? 33.502 22.466 55.231 1.00 13.20 ? 69 ALA A C 1 ATOM 368 O O . ALA A 1 69 ? 33.290 21.257 55.119 1.00 14.86 ? 69 ALA A O 1 ATOM 369 C CB . ALA A 1 69 ? 35.609 22.864 53.955 1.00 11.82 ? 69 ALA A CB 1 ATOM 370 N N . GLY A 1 70 ? 33.209 23.151 56.332 1.00 11.23 ? 70 GLY A N 1 ATOM 371 C CA . GLY A 1 70 ? 32.596 22.491 57.470 1.00 12.89 ? 70 GLY A CA 1 ATOM 372 C C . GLY A 1 70 ? 33.606 21.954 58.465 1.00 11.37 ? 70 GLY A C 1 ATOM 373 O O . GLY A 1 70 ? 33.248 21.225 59.388 1.00 14.35 ? 70 GLY A O 1 ATOM 374 N N . GLU A 1 71 ? 34.869 22.321 58.280 1.00 8.40 ? 71 GLU A N 1 ATOM 375 C CA . GLU A 1 71 ? 35.945 21.872 59.155 1.00 10.40 ? 71 GLU A CA 1 ATOM 376 C C . GLU A 1 71 ? 36.055 22.701 60.438 1.00 11.49 ? 71 GLU A C 1 ATOM 377 O O . GLU A 1 71 ? 36.381 22.165 61.494 1.00 10.54 ? 71 GLU A O 1 ATOM 378 C CB . GLU A 1 71 ? 37.267 21.881 58.382 1.00 9.89 ? 71 GLU A CB 1 ATOM 379 C CG . GLU A 1 71 ? 37.283 20.865 57.243 1.00 16.64 ? 71 GLU A CG 1 ATOM 380 C CD . GLU A 1 71 ? 38.517 20.965 56.369 1.00 24.21 ? 71 GLU A CD 1 ATOM 381 O OE1 . GLU A 1 71 ? 38.649 21.967 55.634 1.00 23.64 ? 71 GLU A OE1 1 ATOM 382 O OE2 . GLU A 1 71 ? 39.357 20.042 56.417 1.00 21.30 ? 71 GLU A OE2 1 ATOM 383 N N . PHE A 1 72 ? 35.790 24.002 60.338 1.00 7.60 ? 72 PHE A N 1 ATOM 384 C CA . PHE A 1 72 ? 35.814 24.900 61.497 1.00 8.72 ? 72 PHE A CA 1 ATOM 385 C C . PHE A 1 72 ? 34.410 25.473 61.665 1.00 7.70 ? 72 PHE A C 1 ATOM 386 O O . PHE A 1 72 ? 33.725 25.722 60.673 1.00 9.55 ? 72 PHE A O 1 ATOM 387 C CB . PHE A 1 72 ? 36.754 26.100 61.288 1.00 8.16 ? 72 PHE A CB 1 ATOM 388 C CG . PHE A 1 72 ? 38.219 25.759 61.235 1.00 9.91 ? 72 PHE A CG 1 ATOM 389 C CD1 . PHE A 1 72 ? 38.695 24.525 61.658 1.00 9.56 ? 72 PHE A CD1 1 ATOM 390 C CD2 . PHE A 1 72 ? 39.132 26.707 60.768 1.00 6.25 ? 72 PHE A CD2 1 ATOM 391 C CE1 . PHE A 1 72 ? 40.062 24.237 61.614 1.00 12.18 ? 72 PHE A CE1 1 ATOM 392 C CE2 . PHE A 1 72 ? 40.489 26.431 60.722 1.00 6.37 ? 72 PHE A CE2 1 ATOM 393 C CZ . PHE A 1 72 ? 40.957 25.192 61.145 1.00 8.33 ? 72 PHE A CZ 1 ATOM 394 N N . GLU A 1 73 ? 33.991 25.695 62.908 1.00 5.22 ? 73 GLU A N 1 ATOM 395 C CA . GLU A 1 73 ? 32.677 26.280 63.178 1.00 5.54 ? 73 GLU A CA 1 ATOM 396 C C . GLU A 1 73 ? 32.817 27.800 63.315 1.00 8.24 ? 73 GLU A C 1 ATOM 397 O O . GLU A 1 73 ? 31.867 28.551 63.077 1.00 8.18 ? 73 GLU A O 1 ATOM 398 C CB . GLU A 1 73 ? 32.080 25.718 64.475 1.00 8.04 ? 73 GLU A CB 1 ATOM 399 C CG . GLU A 1 73 ? 31.562 24.276 64.410 1.00 12.24 ? 73 GLU A CG 1 ATOM 400 C CD . GLU A 1 73 ? 32.663 23.232 64.374 1.00 12.43 ? 73 GLU A CD 1 ATOM 401 O OE1 . GLU A 1 73 ? 33.787 23.530 64.829 1.00 8.62 ? 73 GLU A OE1 1 ATOM 402 O OE2 . GLU A 1 73 ? 32.397 22.101 63.905 1.00 11.14 ? 73 GLU A OE2 1 HETATM 403 N N . MSE A 1 74 ? 34.010 28.238 63.707 1.00 6.14 ? 74 MSE A N 1 HETATM 404 C CA . MSE A 1 74 ? 34.313 29.655 63.889 1.00 4.81 ? 74 MSE A CA 1 HETATM 405 C C . MSE A 1 74 ? 35.757 29.934 63.506 1.00 5.05 ? 74 MSE A C 1 HETATM 406 O O . MSE A 1 74 ? 36.543 29.011 63.285 1.00 4.91 ? 74 MSE A O 1 HETATM 407 C CB . MSE A 1 74 ? 34.139 30.071 65.351 1.00 5.56 ? 74 MSE A CB 1 HETATM 408 C CG . MSE A 1 74 ? 32.729 30.040 65.885 1.00 9.55 ? 74 MSE A CG 1 HETATM 409 SE SE . MSE A 1 74 ? 32.720 30.752 67.676 1.00 13.71 ? 74 MSE A SE 1 HETATM 410 C CE . MSE A 1 74 ? 30.819 30.651 67.997 1.00 14.53 ? 74 MSE A CE 1 ATOM 411 N N . ALA A 1 75 ? 36.101 31.215 63.442 1.00 5.14 ? 75 ALA A N 1 ATOM 412 C CA . ALA A 1 75 ? 37.465 31.618 63.125 1.00 3.13 ? 75 ALA A CA 1 ATOM 413 C C . ALA A 1 75 ? 37.643 33.121 63.213 1.00 4.06 ? 75 ALA A C 1 ATOM 414 O O . ALA A 1 75 ? 36.670 33.873 63.283 1.00 6.82 ? 75 ALA A O 1 ATOM 415 C CB . ALA A 1 75 ? 37.846 31.144 61.727 1.00 8.23 ? 75 ALA A CB 1 ATOM 416 N N . LEU A 1 76 ? 38.900 33.550 63.247 1.00 3.34 ? 76 LEU A N 1 ATOM 417 C CA . LEU A 1 76 ? 39.214 34.972 63.239 1.00 7.10 ? 76 LEU A CA 1 ATOM 418 C C . LEU A 1 76 ? 39.575 35.259 61.789 1.00 4.96 ? 76 LEU A C 1 ATOM 419 O O . LEU A 1 76 ? 40.096 34.386 61.091 1.00 6.57 ? 76 LEU A O 1 ATOM 420 C CB . LEU A 1 76 ? 40.406 35.308 64.145 1.00 5.85 ? 76 LEU A CB 1 ATOM 421 C CG A LEU A 1 76 ? 40.194 35.340 65.662 0.50 8.50 ? 76 LEU A CG 1 ATOM 422 C CG B LEU A 1 76 ? 40.104 35.399 65.644 0.50 7.34 ? 76 LEU A CG 1 ATOM 423 C CD1 A LEU A 1 76 ? 39.221 36.448 66.018 0.50 6.24 ? 76 LEU A CD1 1 ATOM 424 C CD1 B LEU A 1 76 ? 39.900 34.003 66.207 0.50 10.72 ? 76 LEU A CD1 1 ATOM 425 C CD2 A LEU A 1 76 ? 39.680 33.998 66.145 0.50 13.55 ? 76 LEU A CD2 1 ATOM 426 C CD2 B LEU A 1 76 ? 41.250 36.094 66.362 0.50 9.52 ? 76 LEU A CD2 1 ATOM 427 N N . ALA A 1 77 ? 39.284 36.467 61.325 1.00 3.53 ? 77 ALA A N 1 ATOM 428 C CA . ALA A 1 77 ? 39.589 36.839 59.947 1.00 4.90 ? 77 ALA A CA 1 ATOM 429 C C . ALA A 1 77 ? 39.534 38.349 59.782 1.00 4.05 ? 77 ALA A C 1 ATOM 430 O O . ALA A 1 77 ? 38.852 39.037 60.537 1.00 4.82 ? 77 ALA A O 1 ATOM 431 C CB . ALA A 1 77 ? 38.597 36.177 58.990 1.00 6.33 ? 77 ALA A CB 1 ATOM 432 N N . GLN A 1 78 ? 40.257 38.855 58.790 1.00 2.66 ? 78 GLN A N 1 ATOM 433 C CA . GLN A 1 78 ? 40.285 40.287 58.511 1.00 2.94 ? 78 GLN A CA 1 ATOM 434 C C . GLN A 1 78 ? 38.972 40.691 57.857 1.00 4.57 ? 78 GLN A C 1 ATOM 435 O O . GLN A 1 78 ? 38.384 39.914 57.103 1.00 3.40 ? 78 GLN A O 1 ATOM 436 C CB . GLN A 1 78 ? 41.451 40.616 57.576 1.00 4.71 ? 78 GLN A CB 1 ATOM 437 C CG . GLN A 1 78 ? 42.805 40.203 58.127 1.00 5.17 ? 78 GLN A CG 1 ATOM 438 C CD . GLN A 1 78 ? 43.955 40.429 57.157 1.00 2.59 ? 78 GLN A CD 1 ATOM 439 O OE1 . GLN A 1 78 ? 45.077 39.996 57.413 1.00 6.56 ? 78 GLN A OE1 1 ATOM 440 N NE2 . GLN A 1 78 ? 43.685 41.111 56.045 1.00 3.14 ? 78 GLN A NE2 1 ATOM 441 N N . ASN A 1 79 ? 38.511 41.906 58.139 1.00 4.02 ? 79 ASN A N 1 ATOM 442 C CA . ASN A 1 79 ? 37.255 42.361 57.565 1.00 5.68 ? 79 ASN A CA 1 ATOM 443 C C . ASN A 1 79 ? 37.315 42.439 56.043 1.00 5.29 ? 79 ASN A C 1 ATOM 444 O O . ASN A 1 79 ? 36.335 42.109 55.372 1.00 5.54 ? 79 ASN A O 1 ATOM 445 C CB . ASN A 1 79 ? 36.828 43.715 58.175 1.00 3.46 ? 79 ASN A CB 1 ATOM 446 C CG . ASN A 1 79 ? 37.832 44.827 57.933 1.00 6.33 ? 79 ASN A CG 1 ATOM 447 O OD1 . ASN A 1 79 ? 39.032 44.589 57.817 1.00 5.68 ? 79 ASN A OD1 1 ATOM 448 N ND2 . ASN A 1 79 ? 37.339 46.063 57.878 1.00 5.88 ? 79 ASN A ND2 1 ATOM 449 N N . ASP A 1 80 ? 38.458 42.839 55.490 1.00 5.41 ? 80 ASP A N 1 ATOM 450 C CA . ASP A 1 80 ? 38.554 42.925 54.038 1.00 6.40 ? 80 ASP A CA 1 ATOM 451 C C . ASP A 1 80 ? 38.458 41.539 53.401 1.00 5.58 ? 80 ASP A C 1 ATOM 452 O O . ASP A 1 80 ? 37.715 41.345 52.436 1.00 4.39 ? 80 ASP A O 1 ATOM 453 C CB . ASP A 1 80 ? 39.838 43.677 53.598 1.00 7.05 ? 80 ASP A CB 1 ATOM 454 C CG . ASP A 1 80 ? 41.127 42.995 54.035 1.00 8.83 ? 80 ASP A CG 1 ATOM 455 O OD1 . ASP A 1 80 ? 41.138 42.294 55.067 1.00 7.32 ? 80 ASP A OD1 1 ATOM 456 O OD2 . ASP A 1 80 ? 42.154 43.191 53.342 1.00 9.87 ? 80 ASP A OD2 1 ATOM 457 N N . ILE A 1 81 ? 39.174 40.564 53.958 1.00 2.83 ? 81 ILE A N 1 ATOM 458 C CA . ILE A 1 81 ? 39.134 39.213 53.416 1.00 4.40 ? 81 ILE A CA 1 ATOM 459 C C . ILE A 1 81 ? 37.729 38.613 53.543 1.00 3.59 ? 81 ILE A C 1 ATOM 460 O O . ILE A 1 81 ? 37.254 37.934 52.633 1.00 5.63 ? 81 ILE A O 1 ATOM 461 C CB . ILE A 1 81 ? 40.154 38.294 54.130 1.00 5.24 ? 81 ILE A CB 1 ATOM 462 C CG1 . ILE A 1 81 ? 41.556 38.913 54.050 1.00 5.28 ? 81 ILE A CG1 1 ATOM 463 C CG2 . ILE A 1 81 ? 40.146 36.903 53.491 1.00 4.71 ? 81 ILE A CG2 1 ATOM 464 C CD1 . ILE A 1 81 ? 42.066 39.146 52.624 1.00 7.71 ? 81 ILE A CD1 1 ATOM 465 N N . ALA A 1 82 ? 37.059 38.868 54.665 1.00 4.26 ? 82 ALA A N 1 ATOM 466 C CA . ALA A 1 82 ? 35.712 38.343 54.873 1.00 5.73 ? 82 ALA A CA 1 ATOM 467 C C . ALA A 1 82 ? 34.769 38.903 53.817 1.00 7.50 ? 82 ALA A C 1 ATOM 468 O O . ALA A 1 82 ? 33.905 38.190 53.303 1.00 7.59 ? 82 ALA A O 1 ATOM 469 C CB . ALA A 1 82 ? 35.208 38.702 56.268 1.00 6.29 ? 82 ALA A CB 1 ATOM 470 N N . TYR A 1 83 ? 34.932 40.185 53.501 1.00 5.26 ? 83 TYR A N 1 ATOM 471 C CA . TYR A 1 83 ? 34.098 40.820 52.486 1.00 6.34 ? 83 TYR A CA 1 ATOM 472 C C . TYR A 1 83 ? 34.336 40.162 51.128 1.00 6.82 ? 83 TYR A C 1 ATOM 473 O O . TYR A 1 83 ? 33.388 39.780 50.443 1.00 3.45 ? 83 TYR A O 1 ATOM 474 C CB . TYR A 1 83 ? 34.418 42.310 52.375 1.00 5.87 ? 83 TYR A CB 1 ATOM 475 C CG . TYR A 1 83 ? 33.584 43.016 51.326 1.00 6.60 ? 83 TYR A CG 1 ATOM 476 C CD1 . TYR A 1 83 ? 32.248 43.334 51.568 1.00 8.95 ? 83 TYR A CD1 1 ATOM 477 C CD2 . TYR A 1 83 ? 34.127 43.346 50.084 1.00 10.47 ? 83 TYR A CD2 1 ATOM 478 C CE1 . TYR A 1 83 ? 31.469 43.966 50.601 1.00 13.94 ? 83 TYR A CE1 1 ATOM 479 C CE2 . TYR A 1 83 ? 33.358 43.976 49.108 1.00 10.48 ? 83 TYR A CE2 1 ATOM 480 C CZ . TYR A 1 83 ? 32.030 44.284 49.374 1.00 13.26 ? 83 TYR A CZ 1 ATOM 481 O OH . TYR A 1 83 ? 31.264 44.910 48.419 1.00 20.19 ? 83 TYR A OH 1 ATOM 482 N N . TYR A 1 84 ? 35.601 40.037 50.735 1.00 3.97 ? 84 TYR A N 1 ATOM 483 C CA . TYR A 1 84 ? 35.925 39.427 49.448 1.00 6.59 ? 84 TYR A CA 1 ATOM 484 C C . TYR A 1 84 ? 35.358 38.024 49.340 1.00 6.52 ? 84 TYR A C 1 ATOM 485 O O . TYR A 1 84 ? 34.874 37.619 48.284 1.00 6.98 ? 84 TYR A O 1 ATOM 486 C CB . TYR A 1 84 ? 37.436 39.368 49.237 1.00 6.97 ? 84 TYR A CB 1 ATOM 487 C CG . TYR A 1 84 ? 38.117 40.708 49.361 1.00 5.79 ? 84 TYR A CG 1 ATOM 488 C CD1 . TYR A 1 84 ? 37.465 41.879 48.982 1.00 7.80 ? 84 TYR A CD1 1 ATOM 489 C CD2 . TYR A 1 84 ? 39.416 40.804 49.851 1.00 8.38 ? 84 TYR A CD2 1 ATOM 490 C CE1 . TYR A 1 84 ? 38.091 43.118 49.089 1.00 9.33 ? 84 TYR A CE1 1 ATOM 491 C CE2 . TYR A 1 84 ? 40.053 42.039 49.962 1.00 8.70 ? 84 TYR A CE2 1 ATOM 492 C CZ . TYR A 1 84 ? 39.382 43.190 49.579 1.00 8.36 ? 84 TYR A CZ 1 ATOM 493 O OH . TYR A 1 84 ? 40.003 44.414 49.687 1.00 14.16 ? 84 TYR A OH 1 ATOM 494 N N . ALA A 1 85 ? 35.430 37.278 50.436 1.00 4.56 ? 85 ALA A N 1 ATOM 495 C CA . ALA A 1 85 ? 34.913 35.918 50.452 1.00 5.09 ? 85 ALA A CA 1 ATOM 496 C C . ALA A 1 85 ? 33.399 35.917 50.266 1.00 5.50 ? 85 ALA A C 1 ATOM 497 O O . ALA A 1 85 ? 32.876 35.236 49.386 1.00 7.03 ? 85 ALA A O 1 ATOM 498 C CB . ALA A 1 85 ? 35.277 35.232 51.768 1.00 5.91 ? 85 ALA A CB 1 ATOM 499 N N . TYR A 1 86 ? 32.701 36.693 51.090 1.00 5.43 ? 86 TYR A N 1 ATOM 500 C CA . TYR A 1 86 ? 31.246 36.758 51.033 1.00 7.10 ? 86 TYR A CA 1 ATOM 501 C C . TYR A 1 86 ? 30.732 37.218 49.670 1.00 8.22 ? 86 TYR A C 1 ATOM 502 O O . TYR A 1 86 ? 29.674 36.775 49.214 1.00 8.25 ? 86 TYR A O 1 ATOM 503 C CB . TYR A 1 86 ? 30.721 37.696 52.127 1.00 5.74 ? 86 TYR A CB 1 ATOM 504 C CG . TYR A 1 86 ? 29.229 37.596 52.348 1.00 7.70 ? 86 TYR A CG 1 ATOM 505 C CD1 . TYR A 1 86 ? 28.681 36.531 53.062 1.00 11.45 ? 86 TYR A CD1 1 ATOM 506 C CD2 . TYR A 1 86 ? 28.363 38.553 51.820 1.00 13.45 ? 86 TYR A CD2 1 ATOM 507 C CE1 . TYR A 1 86 ? 27.304 36.420 53.246 1.00 11.26 ? 86 TYR A CE1 1 ATOM 508 C CE2 . TYR A 1 86 ? 26.983 38.451 51.996 1.00 14.22 ? 86 TYR A CE2 1 ATOM 509 C CZ . TYR A 1 86 ? 26.462 37.384 52.709 1.00 17.34 ? 86 TYR A CZ 1 ATOM 510 O OH . TYR A 1 86 ? 25.101 37.280 52.882 1.00 18.66 ? 86 TYR A OH 1 ATOM 511 N N . GLN A 1 87 ? 31.484 38.101 49.018 1.00 6.73 ? 87 GLN A N 1 ATOM 512 C CA . GLN A 1 87 ? 31.087 38.619 47.712 1.00 9.43 ? 87 GLN A CA 1 ATOM 513 C C . GLN A 1 87 ? 31.637 37.813 46.533 1.00 10.84 ? 87 GLN A C 1 ATOM 514 O O . GLN A 1 87 ? 31.177 37.983 45.403 1.00 11.94 ? 87 GLN A O 1 ATOM 515 C CB . GLN A 1 87 ? 31.521 40.085 47.576 1.00 9.67 ? 87 GLN A CB 1 ATOM 516 C CG . GLN A 1 87 ? 30.910 41.017 48.617 1.00 13.28 ? 87 GLN A CG 1 ATOM 517 C CD . GLN A 1 87 ? 29.408 41.194 48.453 1.00 19.43 ? 87 GLN A CD 1 ATOM 518 O OE1 . GLN A 1 87 ? 28.715 41.592 49.389 1.00 25.32 ? 87 GLN A OE1 1 ATOM 519 N NE2 . GLN A 1 87 ? 28.901 40.913 47.257 1.00 16.61 ? 87 GLN A NE2 1 ATOM 520 N N . GLY A 1 88 ? 32.609 36.938 46.795 1.00 8.43 ? 88 GLY A N 1 ATOM 521 C CA . GLY A 1 88 ? 33.207 36.143 45.731 1.00 7.71 ? 88 GLY A CA 1 ATOM 522 C C . GLY A 1 88 ? 33.913 37.050 44.740 1.00 8.77 ? 88 GLY A C 1 ATOM 523 O O . GLY A 1 88 ? 33.745 36.925 43.524 1.00 12.14 ? 88 GLY A O 1 ATOM 524 N N . CYS A 1 89 ? 34.728 37.957 45.264 1.00 6.97 ? 89 CYS A N 1 ATOM 525 C CA . CYS A 1 89 ? 35.423 38.932 44.433 1.00 10.85 ? 89 CYS A CA 1 ATOM 526 C C . CYS A 1 89 ? 36.787 39.301 44.951 1.00 12.37 ? 89 CYS A C 1 ATOM 527 O O . CYS A 1 89 ? 37.298 38.758 45.929 1.00 13.03 ? 89 CYS A O 1 ATOM 528 C CB . CYS A 1 89 ? 34.669 40.260 44.444 1.00 13.29 ? 89 CYS A CB 1 ATOM 529 S SG . CYS A 1 89 ? 35.024 41.197 45.995 1.00 16.16 ? 89 CYS A SG 1 ATOM 530 N N . CYS A 1 90 ? 37.345 40.265 44.231 1.00 13.70 ? 90 CYS A N 1 ATOM 531 C CA . CYS A 1 90 ? 38.557 40.947 44.602 1.00 12.87 ? 90 CYS A CA 1 ATOM 532 C C . CYS A 1 90 ? 39.914 40.256 44.768 1.00 8.81 ? 90 CYS A C 1 ATOM 533 O O . CYS A 1 90 ? 40.945 40.855 44.450 1.00 8.68 ? 90 CYS A O 1 ATOM 534 C CB . CYS A 1 90 ? 38.152 41.746 45.833 1.00 13.34 ? 90 CYS A CB 1 ATOM 535 S SG . CYS A 1 90 ? 36.510 42.538 45.532 1.00 25.79 ? 90 CYS A SG 1 ATOM 536 N N . ILE A 1 91 ? 39.938 39.035 45.287 1.00 8.94 ? 91 ILE A N 1 ATOM 537 C CA . ILE A 1 91 ? 41.204 38.323 45.416 1.00 5.47 ? 91 ILE A CA 1 ATOM 538 C C . ILE A 1 91 ? 41.062 36.961 44.740 1.00 6.57 ? 91 ILE A C 1 ATOM 539 O O . ILE A 1 91 ? 39.971 36.394 44.689 1.00 6.76 ? 91 ILE A O 1 ATOM 540 C CB . ILE A 1 91 ? 41.642 38.156 46.898 1.00 9.46 ? 91 ILE A CB 1 ATOM 541 C CG1 . ILE A 1 91 ? 40.633 37.309 47.671 1.00 12.93 ? 91 ILE A CG1 1 ATOM 542 C CG2 . ILE A 1 91 ? 41.798 39.530 47.541 1.00 8.50 ? 91 ILE A CG2 1 ATOM 543 C CD1 . ILE A 1 91 ? 41.100 36.952 49.081 1.00 11.72 ? 91 ILE A CD1 1 ATOM 544 N N . PRO A 1 92 ? 42.165 36.423 44.197 1.00 9.67 ? 92 PRO A N 1 ATOM 545 C CA . PRO A 1 92 ? 42.131 35.125 43.514 1.00 8.84 ? 92 PRO A CA 1 ATOM 546 C C . PRO A 1 92 ? 41.507 33.968 44.288 1.00 9.01 ? 92 PRO A C 1 ATOM 547 O O . PRO A 1 92 ? 40.880 33.089 43.698 1.00 8.46 ? 92 PRO A O 1 ATOM 548 C CB . PRO A 1 92 ? 43.601 34.872 43.181 1.00 10.46 ? 92 PRO A CB 1 ATOM 549 C CG . PRO A 1 92 ? 44.141 36.253 42.987 1.00 12.59 ? 92 PRO A CG 1 ATOM 550 C CD . PRO A 1 92 ? 43.518 37.005 44.145 1.00 10.10 ? 92 PRO A CD 1 ATOM 551 N N . ALA A 1 93 ? 41.667 33.967 45.606 1.00 6.30 ? 93 ALA A N 1 ATOM 552 C CA . ALA A 1 93 ? 41.126 32.887 46.421 1.00 9.54 ? 93 ALA A CA 1 ATOM 553 C C . ALA A 1 93 ? 39.605 32.737 46.403 1.00 7.26 ? 93 ALA A C 1 ATOM 554 O O . ALA A 1 93 ? 39.098 31.633 46.587 1.00 8.34 ? 93 ALA A O 1 ATOM 555 C CB . ALA A 1 93 ? 41.605 33.039 47.862 1.00 8.48 ? 93 ALA A CB 1 ATOM 556 N N . PHE A 1 94 ? 38.877 33.828 46.170 1.00 6.06 ? 94 PHE A N 1 ATOM 557 C CA . PHE A 1 94 ? 37.415 33.764 46.184 1.00 4.09 ? 94 PHE A CA 1 ATOM 558 C C . PHE A 1 94 ? 36.713 34.264 44.930 1.00 6.61 ? 94 PHE A C 1 ATOM 559 O O . PHE A 1 94 ? 35.501 34.111 44.796 1.00 7.82 ? 94 PHE A O 1 ATOM 560 C CB . PHE A 1 94 ? 36.875 34.537 47.393 1.00 5.60 ? 94 PHE A CB 1 ATOM 561 C CG . PHE A 1 94 ? 37.420 34.055 48.708 1.00 3.37 ? 94 PHE A CG 1 ATOM 562 C CD1 . PHE A 1 94 ? 38.133 34.915 49.538 1.00 6.67 ? 94 PHE A CD1 1 ATOM 563 C CD2 . PHE A 1 94 ? 37.242 32.732 49.101 1.00 6.53 ? 94 PHE A CD2 1 ATOM 564 C CE1 . PHE A 1 94 ? 38.667 34.461 50.746 1.00 8.02 ? 94 PHE A CE1 1 ATOM 565 C CE2 . PHE A 1 94 ? 37.771 32.266 50.303 1.00 10.59 ? 94 PHE A CE2 1 ATOM 566 C CZ . PHE A 1 94 ? 38.486 33.135 51.128 1.00 11.44 ? 94 PHE A CZ 1 ATOM 567 N N . GLU A 1 95 ? 37.463 34.861 44.014 1.00 8.84 ? 95 GLU A N 1 ATOM 568 C CA . GLU A 1 95 ? 36.866 35.375 42.788 1.00 7.88 ? 95 GLU A CA 1 ATOM 569 C C . GLU A 1 95 ? 36.069 34.294 42.061 1.00 6.72 ? 95 GLU A C 1 ATOM 570 O O . GLU A 1 95 ? 36.558 33.185 41.838 1.00 11.15 ? 95 GLU A O 1 ATOM 571 C CB . GLU A 1 95 ? 37.957 35.924 41.866 1.00 11.17 ? 95 GLU A CB 1 ATOM 572 C CG . GLU A 1 95 ? 37.442 36.585 40.585 1.00 11.78 ? 95 GLU A CG 1 ATOM 573 C CD . GLU A 1 95 ? 36.495 37.744 40.856 1.00 13.87 ? 95 GLU A CD 1 ATOM 574 O OE1 . GLU A 1 95 ? 35.267 37.555 40.731 1.00 12.42 ? 95 GLU A OE1 1 ATOM 575 O OE2 . GLU A 1 95 ? 36.978 38.843 41.200 1.00 14.39 ? 95 GLU A OE2 1 ATOM 576 N N . GLY A 1 96 ? 34.830 34.622 41.707 1.00 10.12 ? 96 GLY A N 1 ATOM 577 C CA . GLY A 1 96 ? 33.997 33.681 40.980 1.00 12.42 ? 96 GLY A CA 1 ATOM 578 C C . GLY A 1 96 ? 33.063 32.808 41.795 1.00 13.36 ? 96 GLY A C 1 ATOM 579 O O . GLY A 1 96 ? 32.124 32.235 41.242 1.00 14.33 ? 96 GLY A O 1 ATOM 580 N N . LYS A 1 97 ? 33.303 32.689 43.098 1.00 11.33 ? 97 LYS A N 1 ATOM 581 C CA . LYS A 1 97 ? 32.437 31.856 43.924 1.00 8.93 ? 97 LYS A CA 1 ATOM 582 C C . LYS A 1 97 ? 32.273 32.405 45.335 1.00 10.98 ? 97 LYS A C 1 ATOM 583 O O . LYS A 1 97 ? 33.127 32.214 46.193 1.00 9.93 ? 97 LYS A O 1 ATOM 584 C CB . LYS A 1 97 ? 32.982 30.425 43.987 1.00 12.14 ? 97 LYS A CB 1 ATOM 585 C CG . LYS A 1 97 ? 32.012 29.431 44.599 1.00 16.48 ? 97 LYS A CG 1 ATOM 586 C CD . LYS A 1 97 ? 32.580 28.025 44.594 1.00 21.30 ? 97 LYS A CD 1 ATOM 587 C CE . LYS A 1 97 ? 31.560 27.026 45.113 1.00 28.29 ? 97 LYS A CE 1 ATOM 588 N NZ . LYS A 1 97 ? 32.099 25.639 45.102 1.00 32.69 ? 97 LYS A NZ 1 ATOM 589 N N . PRO A 1 98 ? 31.157 33.096 45.589 1.00 11.90 ? 98 PRO A N 1 ATOM 590 C CA . PRO A 1 98 ? 30.898 33.668 46.912 1.00 8.20 ? 98 PRO A CA 1 ATOM 591 C C . PRO A 1 98 ? 30.825 32.611 48.010 1.00 9.12 ? 98 PRO A C 1 ATOM 592 O O . PRO A 1 98 ? 30.427 31.467 47.772 1.00 9.05 ? 98 PRO A O 1 ATOM 593 C CB . PRO A 1 98 ? 29.561 34.381 46.721 1.00 13.21 ? 98 PRO A CB 1 ATOM 594 C CG . PRO A 1 98 ? 29.583 34.765 45.270 1.00 16.12 ? 98 PRO A CG 1 ATOM 595 C CD . PRO A 1 98 ? 30.128 33.518 44.623 1.00 12.65 ? 98 PRO A CD 1 ATOM 596 N N . VAL A 1 99 ? 31.235 33.004 49.211 1.00 7.86 ? 99 VAL A N 1 ATOM 597 C CA . VAL A 1 99 ? 31.187 32.129 50.372 1.00 7.67 ? 99 VAL A CA 1 ATOM 598 C C . VAL A 1 99 ? 30.133 32.779 51.263 1.00 10.32 ? 99 VAL A C 1 ATOM 599 O O . VAL A 1 99 ? 30.446 33.594 52.129 1.00 11.21 ? 99 VAL A O 1 ATOM 600 C CB . VAL A 1 99 ? 32.548 32.087 51.104 1.00 8.00 ? 99 VAL A CB 1 ATOM 601 C CG1 . VAL A 1 99 ? 32.462 31.173 52.319 1.00 7.87 ? 99 VAL A CG1 1 ATOM 602 C CG2 . VAL A 1 99 ? 33.634 31.607 50.149 1.00 12.20 ? 99 VAL A CG2 1 ATOM 603 N N . LYS A 1 100 ? 28.875 32.428 51.021 1.00 9.30 ? 100 LYS A N 1 ATOM 604 C CA . LYS A 1 100 ? 27.762 33.003 51.766 1.00 7.44 ? 100 LYS A CA 1 ATOM 605 C C . LYS A 1 100 ? 27.494 32.289 53.080 1.00 9.71 ? 100 LYS A C 1 ATOM 606 O O . LYS A 1 100 ? 26.533 32.605 53.776 1.00 11.90 ? 100 LYS A O 1 ATOM 607 C CB . LYS A 1 100 ? 26.497 32.962 50.907 1.00 14.31 ? 100 LYS A CB 1 ATOM 608 C CG . LYS A 1 100 ? 26.626 33.663 49.563 1.00 19.63 ? 100 LYS A CG 1 ATOM 609 C CD . LYS A 1 100 ? 26.788 35.164 49.720 1.00 20.31 ? 100 LYS A CD 1 ATOM 610 C CE . LYS A 1 100 ? 26.772 35.858 48.365 1.00 21.70 ? 100 LYS A CE 1 ATOM 611 N NZ . LYS A 1 100 ? 26.914 37.337 48.480 1.00 21.37 ? 100 LYS A NZ 1 ATOM 612 N N . THR A 1 101 ? 28.351 31.336 53.422 1.00 9.18 ? 101 THR A N 1 ATOM 613 C CA . THR A 1 101 ? 28.174 30.558 54.637 1.00 11.75 ? 101 THR A CA 1 ATOM 614 C C . THR A 1 101 ? 28.789 31.168 55.892 1.00 12.36 ? 101 THR A C 1 ATOM 615 O O . THR A 1 101 ? 28.676 30.595 56.976 1.00 20.05 ? 101 THR A O 1 ATOM 616 C CB . THR A 1 101 ? 28.744 29.141 54.449 1.00 15.43 ? 101 THR A CB 1 ATOM 617 O OG1 . THR A 1 101 ? 30.123 29.229 54.069 1.00 16.70 ? 101 THR A OG1 1 ATOM 618 C CG2 . THR A 1 101 ? 27.975 28.402 53.359 1.00 17.45 ? 101 THR A CG2 1 ATOM 619 N N . ILE A 1 102 ? 29.438 32.320 55.760 1.00 8.09 ? 102 ILE A N 1 ATOM 620 C CA . ILE A 1 102 ? 30.047 32.952 56.926 1.00 6.30 ? 102 ILE A CA 1 ATOM 621 C C . ILE A 1 102 ? 29.210 34.101 57.471 1.00 5.62 ? 102 ILE A C 1 ATOM 622 O O . ILE A 1 102 ? 28.502 34.785 56.731 1.00 5.45 ? 102 ILE A O 1 ATOM 623 C CB . ILE A 1 102 ? 31.475 33.465 56.617 1.00 7.01 ? 102 ILE A CB 1 ATOM 624 C CG1 . ILE A 1 102 ? 31.443 34.453 55.451 1.00 5.65 ? 102 ILE A CG1 1 ATOM 625 C CG2 . ILE A 1 102 ? 32.390 32.282 56.300 1.00 7.43 ? 102 ILE A CG2 1 ATOM 626 C CD1 . ILE A 1 102 ? 32.787 35.092 55.167 1.00 8.73 ? 102 ILE A CD1 1 ATOM 627 N N . ARG A 1 103 ? 29.305 34.301 58.782 1.00 5.99 ? 103 ARG A N 1 ATOM 628 C CA . ARG A 1 103 ? 28.568 35.352 59.472 1.00 5.26 ? 103 ARG A CA 1 ATOM 629 C C . ARG A 1 103 ? 29.509 36.012 60.471 1.00 5.63 ? 103 ARG A C 1 ATOM 630 O O . ARG A 1 103 ? 30.421 35.369 60.999 1.00 6.78 ? 103 ARG A O 1 ATOM 631 C CB . ARG A 1 103 ? 27.376 34.755 60.224 1.00 4.39 ? 103 ARG A CB 1 ATOM 632 C CG . ARG A 1 103 ? 26.306 34.139 59.337 1.00 5.09 ? 103 ARG A CG 1 ATOM 633 C CD . ARG A 1 103 ? 25.465 35.205 58.643 1.00 7.42 ? 103 ARG A CD 1 ATOM 634 N NE . ARG A 1 103 ? 24.402 34.607 57.837 1.00 10.74 ? 103 ARG A NE 1 ATOM 635 C CZ . ARG A 1 103 ? 24.591 34.050 56.644 1.00 11.64 ? 103 ARG A CZ 1 ATOM 636 N NH1 . ARG A 1 103 ? 25.803 34.018 56.108 1.00 13.56 ? 103 ARG A NH1 1 ATOM 637 N NH2 . ARG A 1 103 ? 23.565 33.520 55.989 1.00 13.95 ? 103 ARG A NH2 1 ATOM 638 N N . ALA A 1 104 ? 29.290 37.294 60.731 1.00 5.79 ? 104 ALA A N 1 ATOM 639 C CA . ALA A 1 104 ? 30.129 38.010 61.675 1.00 6.20 ? 104 ALA A CA 1 ATOM 640 C C . ALA A 1 104 ? 29.597 37.859 63.093 1.00 4.90 ? 104 ALA A C 1 ATOM 641 O O . ALA A 1 104 ? 28.393 37.720 63.304 1.00 6.66 ? 104 ALA A O 1 ATOM 642 C CB . ALA A 1 104 ? 30.188 39.492 61.303 1.00 7.44 ? 104 ALA A CB 1 ATOM 643 N N . LEU A 1 105 ? 30.506 37.863 64.061 1.00 5.54 ? 105 LEU A N 1 ATOM 644 C CA . LEU A 1 105 ? 30.114 37.793 65.460 1.00 2.86 ? 105 LEU A CA 1 ATOM 645 C C . LEU A 1 105 ? 30.535 39.104 66.116 1.00 7.28 ? 105 LEU A C 1 ATOM 646 O O . LEU A 1 105 ? 29.798 39.658 66.932 1.00 7.07 ? 105 LEU A O 1 ATOM 647 C CB . LEU A 1 105 ? 30.777 36.610 66.176 1.00 5.57 ? 105 LEU A CB 1 ATOM 648 C CG . LEU A 1 105 ? 30.399 35.198 65.713 1.00 5.32 ? 105 LEU A CG 1 ATOM 649 C CD1 . LEU A 1 105 ? 30.948 34.188 66.713 1.00 8.99 ? 105 LEU A CD1 1 ATOM 650 C CD2 . LEU A 1 105 ? 28.882 35.056 65.607 1.00 5.52 ? 105 LEU A CD2 1 ATOM 651 N N . ALA A 1 106 ? 31.711 39.613 65.742 1.00 3.97 ? 106 ALA A N 1 ATOM 652 C CA . ALA A 1 106 ? 32.202 40.859 66.327 1.00 5.05 ? 106 ALA A CA 1 ATOM 653 C C . ALA A 1 106 ? 33.502 41.389 65.741 1.00 5.69 ? 106 ALA A C 1 ATOM 654 O O . ALA A 1 106 ? 34.387 40.619 65.373 1.00 4.53 ? 106 ALA A O 1 ATOM 655 C CB . ALA A 1 106 ? 32.390 40.678 67.829 1.00 6.40 ? 106 ALA A CB 1 ATOM 656 N N . ALA A 1 107 ? 33.602 42.715 65.666 1.00 7.13 ? 107 ALA A N 1 ATOM 657 C CA . ALA A 1 107 ? 34.817 43.386 65.210 1.00 6.23 ? 107 ALA A CA 1 ATOM 658 C C . ALA A 1 107 ? 35.626 43.457 66.507 1.00 6.82 ? 107 ALA A C 1 ATOM 659 O O . ALA A 1 107 ? 35.099 43.865 67.545 1.00 6.57 ? 107 ALA A O 1 ATOM 660 C CB . ALA A 1 107 ? 34.496 44.784 64.693 1.00 9.04 ? 107 ALA A CB 1 ATOM 661 N N . LEU A 1 108 ? 36.896 43.073 66.456 1.00 7.15 ? 108 LEU A N 1 ATOM 662 C CA . LEU A 1 108 ? 37.706 43.022 67.670 1.00 7.46 ? 108 LEU A CA 1 ATOM 663 C C . LEU A 1 108 ? 38.756 44.098 67.921 1.00 8.37 ? 108 LEU A C 1 ATOM 664 O O . LEU A 1 108 ? 38.758 44.730 68.976 1.00 9.31 ? 108 LEU A O 1 ATOM 665 C CB . LEU A 1 108 ? 38.383 41.653 67.747 1.00 10.10 ? 108 LEU A CB 1 ATOM 666 C CG . LEU A 1 108 ? 37.443 40.451 67.639 1.00 10.65 ? 108 LEU A CG 1 ATOM 667 C CD1 . LEU A 1 108 ? 38.257 39.180 67.528 1.00 10.02 ? 108 LEU A CD1 1 ATOM 668 C CD2 . LEU A 1 108 ? 36.526 40.398 68.855 1.00 10.02 ? 108 LEU A CD2 1 ATOM 669 N N . TYR A 1 109 ? 39.657 44.288 66.965 1.00 6.46 ? 109 TYR A N 1 ATOM 670 C CA . TYR A 1 109 ? 40.738 45.260 67.110 1.00 6.68 ? 109 TYR A CA 1 ATOM 671 C C . TYR A 1 109 ? 41.392 45.505 65.754 1.00 6.12 ? 109 TYR A C 1 ATOM 672 O O . TYR A 1 109 ? 41.176 44.749 64.806 1.00 5.69 ? 109 TYR A O 1 ATOM 673 C CB . TYR A 1 109 ? 41.780 44.720 68.107 1.00 5.89 ? 109 TYR A CB 1 ATOM 674 C CG . TYR A 1 109 ? 42.399 43.395 67.691 1.00 3.69 ? 109 TYR A CG 1 ATOM 675 C CD1 . TYR A 1 109 ? 43.423 43.347 66.744 1.00 5.05 ? 109 TYR A CD1 1 ATOM 676 C CD2 . TYR A 1 109 ? 41.915 42.185 68.199 1.00 4.45 ? 109 TYR A CD2 1 ATOM 677 C CE1 . TYR A 1 109 ? 43.949 42.125 66.302 1.00 5.23 ? 109 TYR A CE1 1 ATOM 678 C CE2 . TYR A 1 109 ? 42.433 40.958 67.764 1.00 5.82 ? 109 TYR A CE2 1 ATOM 679 C CZ . TYR A 1 109 ? 43.445 40.938 66.814 1.00 6.79 ? 109 TYR A CZ 1 ATOM 680 O OH . TYR A 1 109 ? 43.930 39.736 66.348 1.00 6.81 ? 109 TYR A OH 1 ATOM 681 N N . PRO A 1 110 ? 42.204 46.569 65.641 1.00 6.57 ? 110 PRO A N 1 ATOM 682 C CA . PRO A 1 110 ? 42.878 46.884 64.378 1.00 7.00 ? 110 PRO A CA 1 ATOM 683 C C . PRO A 1 110 ? 44.051 45.962 64.072 1.00 5.63 ? 110 PRO A C 1 ATOM 684 O O . PRO A 1 110 ? 44.853 45.655 64.951 1.00 6.55 ? 110 PRO A O 1 ATOM 685 C CB A PRO A 1 110 ? 43.340 48.330 64.577 0.50 6.50 ? 110 PRO A CB 1 ATOM 686 C CB B PRO A 1 110 ? 43.339 48.323 64.579 0.50 6.49 ? 110 PRO A CB 1 ATOM 687 C CG A PRO A 1 110 ? 43.624 48.362 66.042 0.50 1.25 ? 110 PRO A CG 1 ATOM 688 C CG B PRO A 1 110 ? 42.434 48.855 65.646 0.50 2.29 ? 110 PRO A CG 1 ATOM 689 C CD . PRO A 1 110 ? 42.388 47.685 66.584 1.00 6.39 ? 110 PRO A CD 1 ATOM 690 N N . GLU A 1 111 ? 44.139 45.522 62.823 1.00 4.44 ? 111 GLU A N 1 ATOM 691 C CA . GLU A 1 111 ? 45.247 44.692 62.382 1.00 4.38 ? 111 GLU A CA 1 ATOM 692 C C . GLU A 1 111 ? 46.081 45.592 61.489 1.00 5.44 ? 111 GLU A C 1 ATOM 693 O O . GLU A 1 111 ? 45.631 46.039 60.431 1.00 7.00 ? 111 GLU A O 1 ATOM 694 C CB . GLU A 1 111 ? 44.744 43.482 61.613 1.00 6.20 ? 111 GLU A CB 1 ATOM 695 C CG . GLU A 1 111 ? 44.010 42.513 62.501 1.00 5.54 ? 111 GLU A CG 1 ATOM 696 C CD . GLU A 1 111 ? 43.910 41.147 61.878 1.00 7.34 ? 111 GLU A CD 1 ATOM 697 O OE1 . GLU A 1 111 ? 42.864 40.849 61.269 1.00 9.97 ? 111 GLU A OE1 1 ATOM 698 O OE2 . GLU A 1 111 ? 44.893 40.380 61.994 1.00 5.92 ? 111 GLU A OE2 1 ATOM 699 N N . VAL A 1 112 ? 47.300 45.856 61.933 1.00 5.13 ? 112 VAL A N 1 ATOM 700 C CA . VAL A 1 112 ? 48.202 46.754 61.232 1.00 5.65 ? 112 VAL A CA 1 ATOM 701 C C . VAL A 1 112 ? 49.166 46.031 60.307 1.00 6.07 ? 112 VAL A C 1 ATOM 702 O O . VAL A 1 112 ? 49.700 44.979 60.647 1.00 6.20 ? 112 VAL A O 1 ATOM 703 C CB . VAL A 1 112 ? 48.999 47.581 62.258 1.00 8.38 ? 112 VAL A CB 1 ATOM 704 C CG1 . VAL A 1 112 ? 49.698 48.742 61.573 1.00 9.23 ? 112 VAL A CG1 1 ATOM 705 C CG2 . VAL A 1 112 ? 48.051 48.091 63.347 1.00 9.25 ? 112 VAL A CG2 1 ATOM 706 N N . VAL A 1 113 ? 49.380 46.594 59.125 1.00 3.74 ? 113 VAL A N 1 ATOM 707 C CA . VAL A 1 113 ? 50.300 45.978 58.192 1.00 3.88 ? 113 VAL A CA 1 ATOM 708 C C . VAL A 1 113 ? 51.717 46.331 58.626 1.00 6.82 ? 113 VAL A C 1 ATOM 709 O O . VAL A 1 113 ? 52.136 47.487 58.536 1.00 7.01 ? 113 VAL A O 1 ATOM 710 C CB . VAL A 1 113 ? 50.070 46.473 56.748 1.00 3.62 ? 113 VAL A CB 1 ATOM 711 C CG1 . VAL A 1 113 ? 51.102 45.848 55.818 1.00 5.58 ? 113 VAL A CG1 1 ATOM 712 C CG2 . VAL A 1 113 ? 48.669 46.110 56.292 1.00 6.47 ? 113 VAL A CG2 1 ATOM 713 N N . HIS A 1 114 ? 52.432 45.335 59.137 1.00 4.61 ? 114 HIS A N 1 ATOM 714 C CA . HIS A 1 114 ? 53.811 45.525 59.566 1.00 4.22 ? 114 HIS A CA 1 ATOM 715 C C . HIS A 1 114 ? 54.721 45.092 58.423 1.00 6.65 ? 114 HIS A C 1 ATOM 716 O O . HIS A 1 114 ? 54.590 43.980 57.911 1.00 7.22 ? 114 HIS A O 1 ATOM 717 C CB . HIS A 1 114 ? 54.158 44.644 60.779 1.00 5.94 ? 114 HIS A CB 1 ATOM 718 C CG . HIS A 1 114 ? 53.438 44.998 62.044 1.00 4.63 ? 114 HIS A CG 1 ATOM 719 N ND1 . HIS A 1 114 ? 52.076 44.854 62.194 1.00 5.73 ? 114 HIS A ND1 1 ATOM 720 C CD2 . HIS A 1 114 ? 53.909 45.396 63.250 1.00 7.15 ? 114 HIS A CD2 1 ATOM 721 C CE1 . HIS A 1 114 ? 51.739 45.140 63.440 1.00 7.45 ? 114 HIS A CE1 1 ATOM 722 N NE2 . HIS A 1 114 ? 52.833 45.471 64.102 1.00 7.37 ? 114 HIS A NE2 1 ATOM 723 N N . VAL A 1 115 ? 55.628 45.973 58.014 1.00 4.81 ? 115 VAL A N 1 ATOM 724 C CA . VAL A 1 115 ? 56.592 45.641 56.973 1.00 5.08 ? 115 VAL A CA 1 ATOM 725 C C . VAL A 1 115 ? 57.929 45.725 57.697 1.00 6.38 ? 115 VAL A C 1 ATOM 726 O O . VAL A 1 115 ? 58.485 46.808 57.876 1.00 8.96 ? 115 VAL A O 1 ATOM 727 C CB . VAL A 1 115 ? 56.568 46.650 55.807 1.00 6.27 ? 115 VAL A CB 1 ATOM 728 C CG1 . VAL A 1 115 ? 57.564 46.221 54.737 1.00 8.53 ? 115 VAL A CG1 1 ATOM 729 C CG2 . VAL A 1 115 ? 55.166 46.738 55.224 1.00 5.73 ? 115 VAL A CG2 1 ATOM 730 N N . VAL A 1 116 ? 58.420 44.573 58.137 1.00 6.34 ? 116 VAL A N 1 ATOM 731 C CA . VAL A 1 116 ? 59.670 44.499 58.883 1.00 7.80 ? 116 VAL A CA 1 ATOM 732 C C . VAL A 1 116 ? 60.861 44.270 57.966 1.00 6.40 ? 116 VAL A C 1 ATOM 733 O O . VAL A 1 116 ? 60.832 43.400 57.100 1.00 7.76 ? 116 VAL A O 1 ATOM 734 C CB . VAL A 1 116 ? 59.621 43.354 59.914 1.00 8.88 ? 116 VAL A CB 1 ATOM 735 C CG1 . VAL A 1 116 ? 60.815 43.439 60.847 1.00 10.88 ? 116 VAL A CG1 1 ATOM 736 C CG2 . VAL A 1 116 ? 58.319 43.415 60.693 1.00 9.74 ? 116 VAL A CG2 1 ATOM 737 N N . ALA A 1 117 ? 61.915 45.052 58.159 1.00 7.42 ? 117 ALA A N 1 ATOM 738 C CA . ALA A 1 117 ? 63.102 44.898 57.332 1.00 7.91 ? 117 ALA A CA 1 ATOM 739 C C . ALA A 1 117 ? 64.362 44.880 58.178 1.00 8.35 ? 117 ALA A C 1 ATOM 740 O O . ALA A 1 117 ? 64.462 45.605 59.172 1.00 6.65 ? 117 ALA A O 1 ATOM 741 C CB . ALA A 1 117 ? 63.183 46.033 56.314 1.00 11.42 ? 117 ALA A CB 1 ATOM 742 N N . ARG A 1 118 ? 65.316 44.036 57.802 1.00 6.78 ? 118 ARG A N 1 ATOM 743 C CA . ARG A 1 118 ? 66.576 43.995 58.525 1.00 8.85 ? 118 ARG A CA 1 ATOM 744 C C . ARG A 1 118 ? 67.262 45.309 58.168 1.00 11.57 ? 118 ARG A C 1 ATOM 745 O O . ARG A 1 118 ? 67.176 45.765 57.029 1.00 8.18 ? 118 ARG A O 1 ATOM 746 C CB . ARG A 1 118 ? 67.430 42.807 58.069 1.00 8.60 ? 118 ARG A CB 1 ATOM 747 C CG . ARG A 1 118 ? 66.920 41.463 58.570 1.00 11.57 ? 118 ARG A CG 1 ATOM 748 C CD . ARG A 1 118 ? 67.925 40.346 58.314 1.00 13.23 ? 118 ARG A CD 1 ATOM 749 N NE . ARG A 1 118 ? 68.149 40.122 56.891 1.00 28.01 ? 118 ARG A NE 1 ATOM 750 C CZ . ARG A 1 118 ? 69.314 40.308 56.278 1.00 34.59 ? 118 ARG A CZ 1 ATOM 751 N NH1 . ARG A 1 118 ? 70.369 40.722 56.966 1.00 37.04 ? 118 ARG A NH1 1 ATOM 752 N NH2 . ARG A 1 118 ? 69.422 40.080 54.977 1.00 37.41 ? 118 ARG A NH2 1 ATOM 753 N N . LYS A 1 119 ? 67.917 45.929 59.143 1.00 13.10 ? 119 LYS A N 1 ATOM 754 C CA . LYS A 1 119 ? 68.595 47.198 58.908 1.00 15.42 ? 119 LYS A CA 1 ATOM 755 C C . LYS A 1 119 ? 69.765 47.109 57.936 1.00 16.11 ? 119 LYS A C 1 ATOM 756 O O . LYS A 1 119 ? 70.163 48.113 57.350 1.00 18.07 ? 119 LYS A O 1 ATOM 757 C CB . LYS A 1 119 ? 69.097 47.783 60.231 1.00 16.48 ? 119 LYS A CB 1 ATOM 758 C CG . LYS A 1 119 ? 67.999 48.269 61.160 1.00 18.53 ? 119 LYS A CG 1 ATOM 759 C CD . LYS A 1 119 ? 68.595 48.992 62.357 1.00 25.21 ? 119 LYS A CD 1 ATOM 760 C CE . LYS A 1 119 ? 67.517 49.594 63.236 1.00 28.27 ? 119 LYS A CE 1 ATOM 761 N NZ . LYS A 1 119 ? 68.096 50.327 64.398 1.00 30.81 ? 119 LYS A NZ 1 ATOM 762 N N . ASP A 1 120 ? 70.315 45.912 57.766 1.00 15.97 ? 120 ASP A N 1 ATOM 763 C CA . ASP A 1 120 ? 71.455 45.720 56.878 1.00 20.06 ? 120 ASP A CA 1 ATOM 764 C C . ASP A 1 120 ? 71.080 45.198 55.492 1.00 21.16 ? 120 ASP A C 1 ATOM 765 O O . ASP A 1 120 ? 71.952 44.755 54.744 1.00 21.55 ? 120 ASP A O 1 ATOM 766 C CB . ASP A 1 120 ? 72.443 44.748 57.526 1.00 25.23 ? 120 ASP A CB 1 ATOM 767 C CG . ASP A 1 120 ? 71.884 43.337 57.637 1.00 30.31 ? 120 ASP A CG 1 ATOM 768 O OD1 . ASP A 1 120 ? 70.714 43.191 58.051 1.00 35.44 ? 120 ASP A OD1 1 ATOM 769 O OD2 . ASP A 1 120 ? 72.613 42.374 57.317 1.00 32.35 ? 120 ASP A OD2 1 ATOM 770 N N . ALA A 1 121 ? 69.799 45.264 55.138 1.00 17.78 ? 121 ALA A N 1 ATOM 771 C CA . ALA A 1 121 ? 69.351 44.742 53.848 1.00 16.88 ? 121 ALA A CA 1 ATOM 772 C C . ALA A 1 121 ? 69.101 45.764 52.739 1.00 14.09 ? 121 ALA A C 1 ATOM 773 O O . ALA A 1 121 ? 68.595 45.408 51.673 1.00 11.99 ? 121 ALA A O 1 ATOM 774 C CB . ALA A 1 121 ? 68.101 43.890 54.053 1.00 18.79 ? 121 ALA A CB 1 ATOM 775 N N . GLY A 1 122 ? 69.449 47.023 52.980 1.00 16.92 ? 122 GLY A N 1 ATOM 776 C CA . GLY A 1 122 ? 69.242 48.045 51.967 1.00 14.10 ? 122 GLY A CA 1 ATOM 777 C C . GLY A 1 122 ? 67.777 48.280 51.638 1.00 13.45 ? 122 GLY A C 1 ATOM 778 O O . GLY A 1 122 ? 67.400 48.415 50.470 1.00 12.48 ? 122 GLY A O 1 ATOM 779 N N . ILE A 1 123 ? 66.949 48.333 52.676 1.00 9.61 ? 123 ILE A N 1 ATOM 780 C CA . ILE A 1 123 ? 65.515 48.551 52.512 1.00 8.34 ? 123 ILE A CA 1 ATOM 781 C C . ILE A 1 123 ? 65.015 49.675 53.418 1.00 9.17 ? 123 ILE A C 1 ATOM 782 O O . ILE A 1 123 ? 65.051 49.551 54.642 1.00 10.79 ? 123 ILE A O 1 ATOM 783 C CB . ILE A 1 123 ? 64.713 47.279 52.867 1.00 5.54 ? 123 ILE A CB 1 ATOM 784 C CG1 . ILE A 1 123 ? 65.152 46.114 51.974 1.00 10.69 ? 123 ILE A CG1 1 ATOM 785 C CG2 . ILE A 1 123 ? 63.216 47.545 52.704 1.00 9.12 ? 123 ILE A CG2 1 ATOM 786 C CD1 . ILE A 1 123 ? 64.563 44.772 52.387 1.00 8.80 ? 123 ILE A CD1 1 ATOM 787 N N . ARG A 1 124 ? 64.557 50.772 52.820 1.00 6.94 ? 124 ARG A N 1 ATOM 788 C CA . ARG A 1 124 ? 64.018 51.882 53.596 1.00 7.96 ? 124 ARG A CA 1 ATOM 789 C C . ARG A 1 124 ? 62.556 52.119 53.214 1.00 11.57 ? 124 ARG A C 1 ATOM 790 O O . ARG A 1 124 ? 61.784 52.678 53.996 1.00 10.01 ? 124 ARG A O 1 ATOM 791 C CB . ARG A 1 124 ? 64.833 53.164 53.371 1.00 7.70 ? 124 ARG A CB 1 ATOM 792 C CG . ARG A 1 124 ? 66.246 53.128 53.943 1.00 9.99 ? 124 ARG A CG 1 ATOM 793 C CD . ARG A 1 124 ? 66.256 52.926 55.456 1.00 9.01 ? 124 ARG A CD 1 ATOM 794 N NE . ARG A 1 124 ? 67.617 52.822 55.983 1.00 8.84 ? 124 ARG A NE 1 ATOM 795 C CZ . ARG A 1 124 ? 68.393 53.859 56.290 1.00 13.17 ? 124 ARG A CZ 1 ATOM 796 N NH1 . ARG A 1 124 ? 67.949 55.100 56.135 1.00 7.94 ? 124 ARG A NH1 1 ATOM 797 N NH2 . ARG A 1 124 ? 69.624 53.653 56.742 1.00 10.75 ? 124 ARG A NH2 1 ATOM 798 N N . THR A 1 125 ? 62.177 51.680 52.014 1.00 9.98 ? 125 THR A N 1 ATOM 799 C CA . THR A 1 125 ? 60.806 51.846 51.528 1.00 8.79 ? 125 THR A CA 1 ATOM 800 C C . THR A 1 125 ? 60.305 50.567 50.862 1.00 5.64 ? 125 THR A C 1 ATOM 801 O O . THR A 1 125 ? 61.086 49.670 50.555 1.00 6.75 ? 125 THR A O 1 ATOM 802 C CB . THR A 1 125 ? 60.699 52.975 50.480 1.00 12.06 ? 125 THR A CB 1 ATOM 803 O OG1 . THR A 1 125 ? 61.290 52.542 49.247 1.00 10.13 ? 125 THR A OG1 1 ATOM 804 C CG2 . THR A 1 125 ? 61.416 54.221 50.964 1.00 13.93 ? 125 THR A CG2 1 ATOM 805 N N . VAL A 1 126 ? 58.999 50.494 50.631 1.00 5.60 ? 126 VAL A N 1 ATOM 806 C CA . VAL A 1 126 ? 58.416 49.316 49.994 1.00 8.76 ? 126 VAL A CA 1 ATOM 807 C C . VAL A 1 126 ? 59.043 49.106 48.619 1.00 9.90 ? 126 VAL A C 1 ATOM 808 O O . VAL A 1 126 ? 59.272 47.971 48.192 1.00 7.95 ? 126 VAL A O 1 ATOM 809 C CB . VAL A 1 126 ? 56.882 49.457 49.848 1.00 7.82 ? 126 VAL A CB 1 ATOM 810 C CG1 . VAL A 1 126 ? 56.315 48.278 49.057 1.00 9.18 ? 126 VAL A CG1 1 ATOM 811 C CG2 . VAL A 1 126 ? 56.237 49.517 51.218 1.00 11.58 ? 126 VAL A CG2 1 ATOM 812 N N . ALA A 1 127 ? 59.341 50.207 47.938 1.00 10.75 ? 127 ALA A N 1 ATOM 813 C CA . ALA A 1 127 ? 59.949 50.140 46.612 1.00 12.06 ? 127 ALA A CA 1 ATOM 814 C C . ALA A 1 127 ? 61.305 49.433 46.637 1.00 13.01 ? 127 ALA A C 1 ATOM 815 O O . ALA A 1 127 ? 61.714 48.824 45.647 1.00 14.88 ? 127 ALA A O 1 ATOM 816 C CB . ALA A 1 127 ? 60.102 51.547 46.042 1.00 16.30 ? 127 ALA A CB 1 ATOM 817 N N . ASP A 1 128 ? 62.003 49.513 47.767 1.00 10.55 ? 128 ASP A N 1 ATOM 818 C CA . ASP A 1 128 ? 63.312 48.872 47.895 1.00 9.47 ? 128 ASP A CA 1 ATOM 819 C C . ASP A 1 128 ? 63.230 47.349 47.995 1.00 10.00 ? 128 ASP A C 1 ATOM 820 O O . ASP A 1 128 ? 64.260 46.675 47.989 1.00 7.59 ? 128 ASP A O 1 ATOM 821 C CB . ASP A 1 128 ? 64.063 49.389 49.131 1.00 12.29 ? 128 ASP A CB 1 ATOM 822 C CG . ASP A 1 128 ? 64.428 50.858 49.034 1.00 13.92 ? 128 ASP A CG 1 ATOM 823 O OD1 . ASP A 1 128 ? 64.818 51.320 47.940 1.00 16.11 ? 128 ASP A OD1 1 ATOM 824 O OD2 . ASP A 1 128 ? 64.348 51.550 50.069 1.00 14.42 ? 128 ASP A OD2 1 ATOM 825 N N . LEU A 1 129 ? 62.018 46.807 48.104 1.00 9.77 ? 129 LEU A N 1 ATOM 826 C CA . LEU A 1 129 ? 61.845 45.361 48.224 1.00 9.40 ? 129 LEU A CA 1 ATOM 827 C C . LEU A 1 129 ? 62.179 44.634 46.928 1.00 10.34 ? 129 LEU A C 1 ATOM 828 O O . LEU A 1 129 ? 62.299 43.411 46.892 1.00 10.38 ? 129 LEU A O 1 ATOM 829 C CB . LEU A 1 129 ? 60.414 45.034 48.657 1.00 7.66 ? 129 LEU A CB 1 ATOM 830 C CG . LEU A 1 129 ? 60.038 45.518 50.061 1.00 12.22 ? 129 LEU A CG 1 ATOM 831 C CD1 . LEU A 1 129 ? 58.577 45.182 50.337 1.00 10.80 ? 129 LEU A CD1 1 ATOM 832 C CD2 . LEU A 1 129 ? 60.942 44.862 51.097 1.00 11.70 ? 129 LEU A CD2 1 ATOM 833 N N . LYS A 1 130 ? 62.330 45.406 45.864 1.00 11.94 ? 130 LYS A N 1 ATOM 834 C CA . LYS A 1 130 ? 62.671 44.861 44.566 1.00 12.32 ? 130 LYS A CA 1 ATOM 835 C C . LYS A 1 130 ? 63.973 44.066 44.667 1.00 11.89 ? 130 LYS A C 1 ATOM 836 O O . LYS A 1 130 ? 64.992 44.586 45.129 1.00 11.63 ? 130 LYS A O 1 ATOM 837 C CB . LYS A 1 130 ? 62.832 46.012 43.587 1.00 15.89 ? 130 LYS A CB 1 ATOM 838 C CG . LYS A 1 130 ? 63.177 45.620 42.183 1.00 20.51 ? 130 LYS A CG 1 ATOM 839 C CD . LYS A 1 130 ? 63.411 46.881 41.386 1.00 28.62 ? 130 LYS A CD 1 ATOM 840 C CE . LYS A 1 130 ? 62.165 47.753 41.311 1.00 37.35 ? 130 LYS A CE 1 ATOM 841 N NZ . LYS A 1 130 ? 62.477 49.072 40.688 1.00 38.95 ? 130 LYS A NZ 1 ATOM 842 N N . GLY A 1 131 ? 63.927 42.804 44.248 1.00 8.93 ? 131 GLY A N 1 ATOM 843 C CA . GLY A 1 131 ? 65.107 41.954 44.283 1.00 10.27 ? 131 GLY A CA 1 ATOM 844 C C . GLY A 1 131 ? 65.499 41.398 45.642 1.00 10.02 ? 131 GLY A C 1 ATOM 845 O O . GLY A 1 131 ? 66.546 40.759 45.775 1.00 11.46 ? 131 GLY A O 1 ATOM 846 N N . LYS A 1 132 ? 64.667 41.631 46.653 1.00 7.57 ? 132 LYS A N 1 ATOM 847 C CA . LYS A 1 132 ? 64.956 41.147 48.000 1.00 7.45 ? 132 LYS A CA 1 ATOM 848 C C . LYS A 1 132 ? 64.215 39.849 48.310 1.00 7.07 ? 132 LYS A C 1 ATOM 849 O O . LYS A 1 132 ? 63.280 39.476 47.602 1.00 9.88 ? 132 LYS A O 1 ATOM 850 C CB . LYS A 1 132 ? 64.558 42.209 49.033 1.00 6.84 ? 132 LYS A CB 1 ATOM 851 C CG . LYS A 1 132 ? 65.191 43.575 48.814 1.00 9.32 ? 132 LYS A CG 1 ATOM 852 C CD . LYS A 1 132 ? 66.706 43.527 48.979 1.00 10.16 ? 132 LYS A CD 1 ATOM 853 C CE . LYS A 1 132 ? 67.315 44.914 48.804 1.00 12.38 ? 132 LYS A CE 1 ATOM 854 N NZ . LYS A 1 132 ? 66.979 45.496 47.473 1.00 16.44 ? 132 LYS A NZ 1 ATOM 855 N N . ARG A 1 133 ? 64.645 39.167 49.369 1.00 5.44 ? 133 ARG A N 1 ATOM 856 C CA . ARG A 1 133 ? 64.015 37.921 49.809 1.00 6.09 ? 133 ARG A CA 1 ATOM 857 C C . ARG A 1 133 ? 62.978 38.351 50.837 1.00 6.74 ? 133 ARG A C 1 ATOM 858 O O . ARG A 1 133 ? 63.322 38.752 51.949 1.00 7.24 ? 133 ARG A O 1 ATOM 859 C CB . ARG A 1 133 ? 65.051 37.002 50.449 1.00 8.78 ? 133 ARG A CB 1 ATOM 860 C CG . ARG A 1 133 ? 66.159 36.584 49.494 1.00 13.47 ? 133 ARG A CG 1 ATOM 861 C CD . ARG A 1 133 ? 67.314 35.964 50.256 1.00 16.69 ? 133 ARG A CD 1 ATOM 862 N NE . ARG A 1 133 ? 67.907 36.921 51.187 1.00 16.35 ? 133 ARG A NE 1 ATOM 863 C CZ . ARG A 1 133 ? 68.903 36.634 52.018 1.00 15.95 ? 133 ARG A CZ 1 ATOM 864 N NH1 . ARG A 1 133 ? 69.420 35.412 52.036 1.00 16.75 ? 133 ARG A NH1 1 ATOM 865 N NH2 . ARG A 1 133 ? 69.383 37.568 52.828 1.00 19.15 ? 133 ARG A NH2 1 ATOM 866 N N . VAL A 1 134 ? 61.709 38.248 50.467 1.00 6.55 ? 134 VAL A N 1 ATOM 867 C CA . VAL A 1 134 ? 60.640 38.707 51.336 1.00 7.24 ? 134 VAL A CA 1 ATOM 868 C C . VAL A 1 134 ? 59.611 37.667 51.755 1.00 7.98 ? 134 VAL A C 1 ATOM 869 O O . VAL A 1 134 ? 59.078 36.933 50.922 1.00 9.55 ? 134 VAL A O 1 ATOM 870 C CB . VAL A 1 134 ? 59.883 39.871 50.653 1.00 7.01 ? 134 VAL A CB 1 ATOM 871 C CG1 . VAL A 1 134 ? 58.808 40.424 51.575 1.00 7.50 ? 134 VAL A CG1 1 ATOM 872 C CG2 . VAL A 1 134 ? 60.865 40.955 50.241 1.00 7.66 ? 134 VAL A CG2 1 ATOM 873 N N . VAL A 1 135 ? 59.341 37.609 53.055 1.00 6.50 ? 135 VAL A N 1 ATOM 874 C CA . VAL A 1 135 ? 58.319 36.708 53.573 1.00 5.43 ? 135 VAL A CA 1 ATOM 875 C C . VAL A 1 135 ? 57.033 37.511 53.357 1.00 7.75 ? 135 VAL A C 1 ATOM 876 O O . VAL A 1 135 ? 56.805 38.517 54.032 1.00 7.70 ? 135 VAL A O 1 ATOM 877 C CB . VAL A 1 135 ? 58.515 36.432 55.078 1.00 6.69 ? 135 VAL A CB 1 ATOM 878 C CG1 . VAL A 1 135 ? 57.327 35.640 55.625 1.00 10.21 ? 135 VAL A CG1 1 ATOM 879 C CG2 . VAL A 1 135 ? 59.816 35.664 55.298 1.00 6.18 ? 135 VAL A CG2 1 ATOM 880 N N . VAL A 1 136 ? 56.203 37.075 52.413 1.00 5.81 ? 136 VAL A N 1 ATOM 881 C CA . VAL A 1 136 ? 54.976 37.801 52.085 1.00 6.09 ? 136 VAL A CA 1 ATOM 882 C C . VAL A 1 136 ? 53.745 37.422 52.894 1.00 7.85 ? 136 VAL A C 1 ATOM 883 O O . VAL A 1 136 ? 52.686 38.032 52.742 1.00 7.84 ? 136 VAL A O 1 ATOM 884 C CB . VAL A 1 136 ? 54.638 37.653 50.586 1.00 4.28 ? 136 VAL A CB 1 ATOM 885 C CG1 . VAL A 1 136 ? 55.773 38.224 49.745 1.00 6.50 ? 136 VAL A CG1 1 ATOM 886 C CG2 . VAL A 1 136 ? 54.406 36.189 50.238 1.00 6.89 ? 136 VAL A CG2 1 ATOM 887 N N . GLY A 1 137 ? 53.890 36.426 53.758 1.00 7.30 ? 137 GLY A N 1 ATOM 888 C CA . GLY A 1 137 ? 52.774 35.983 54.572 1.00 6.97 ? 137 GLY A CA 1 ATOM 889 C C . GLY A 1 137 ? 52.699 34.478 54.484 1.00 9.61 ? 137 GLY A C 1 ATOM 890 O O . GLY A 1 137 ? 53.403 33.865 53.683 1.00 10.65 ? 137 GLY A O 1 ATOM 891 N N . ASP A 1 138 ? 51.843 33.873 55.295 1.00 6.31 ? 138 ASP A N 1 ATOM 892 C CA . ASP A 1 138 ? 51.717 32.426 55.285 1.00 6.42 ? 138 ASP A CA 1 ATOM 893 C C . ASP A 1 138 ? 50.798 31.969 54.159 1.00 7.31 ? 138 ASP A C 1 ATOM 894 O O . ASP A 1 138 ? 50.095 32.774 53.540 1.00 6.23 ? 138 ASP A O 1 ATOM 895 C CB . ASP A 1 138 ? 51.156 31.948 56.625 1.00 6.88 ? 138 ASP A CB 1 ATOM 896 C CG . ASP A 1 138 ? 51.556 30.523 56.953 1.00 9.38 ? 138 ASP A CG 1 ATOM 897 O OD1 . ASP A 1 138 ? 52.144 29.846 56.080 1.00 9.15 ? 138 ASP A OD1 1 ATOM 898 O OD2 . ASP A 1 138 ? 51.282 30.084 58.091 1.00 10.47 ? 138 ASP A OD2 1 ATOM 899 N N . VAL A 1 139 ? 50.819 30.672 53.884 1.00 4.25 ? 139 VAL A N 1 ATOM 900 C CA . VAL A 1 139 ? 49.950 30.113 52.864 1.00 6.69 ? 139 VAL A CA 1 ATOM 901 C C . VAL A 1 139 ? 48.528 30.225 53.422 1.00 6.95 ? 139 VAL A C 1 ATOM 902 O O . VAL A 1 139 ? 48.255 29.770 54.534 1.00 9.08 ? 139 VAL A O 1 ATOM 903 C CB . VAL A 1 139 ? 50.283 28.633 52.605 1.00 8.77 ? 139 VAL A CB 1 ATOM 904 C CG1 . VAL A 1 139 ? 49.290 28.042 51.617 1.00 8.18 ? 139 VAL A CG1 1 ATOM 905 C CG2 . VAL A 1 139 ? 51.709 28.510 52.073 1.00 10.76 ? 139 VAL A CG2 1 ATOM 906 N N . GLY A 1 140 ? 47.636 30.844 52.655 1.00 7.62 ? 140 GLY A N 1 ATOM 907 C CA . GLY A 1 140 ? 46.260 31.008 53.098 1.00 6.57 ? 140 GLY A CA 1 ATOM 908 C C . GLY A 1 140 ? 46.087 32.152 54.079 1.00 6.96 ? 140 GLY A C 1 ATOM 909 O O . GLY A 1 140 ? 45.104 32.211 54.819 1.00 6.26 ? 140 GLY A O 1 ATOM 910 N N . SER A 1 141 ? 47.042 33.074 54.084 1.00 4.69 ? 141 SER A N 1 ATOM 911 C CA . SER A 1 141 ? 46.990 34.214 54.990 1.00 5.35 ? 141 SER A CA 1 ATOM 912 C C . SER A 1 141 ? 46.306 35.435 54.392 1.00 9.31 ? 141 SER A C 1 ATOM 913 O O . SER A 1 141 ? 46.200 35.576 53.169 1.00 7.18 ? 141 SER A O 1 ATOM 914 C CB . SER A 1 141 ? 48.404 34.622 55.398 1.00 11.08 ? 141 SER A CB 1 ATOM 915 O OG . SER A 1 141 ? 49.108 35.145 54.281 1.00 6.51 ? 141 SER A OG 1 ATOM 916 N N . GLY A 1 142 ? 45.845 36.320 55.270 1.00 7.80 ? 142 GLY A N 1 ATOM 917 C CA . GLY A 1 142 ? 45.238 37.553 54.810 1.00 4.55 ? 142 GLY A CA 1 ATOM 918 C C . GLY A 1 142 ? 46.418 38.445 54.469 1.00 3.85 ? 142 GLY A C 1 ATOM 919 O O . GLY A 1 142 ? 46.361 39.266 53.550 1.00 5.05 ? 142 GLY A O 1 ATOM 920 N N . THR A 1 143 ? 47.505 38.254 55.219 1.00 5.13 ? 143 THR A N 1 ATOM 921 C CA . THR A 1 143 ? 48.740 39.015 55.039 1.00 4.44 ? 143 THR A CA 1 ATOM 922 C C . THR A 1 143 ? 49.204 39.012 53.580 1.00 6.42 ? 143 THR A C 1 ATOM 923 O O . THR A 1 143 ? 49.542 40.061 53.030 1.00 5.21 ? 143 THR A O 1 ATOM 924 C CB . THR A 1 143 ? 49.887 38.439 55.918 1.00 5.60 ? 143 THR A CB 1 ATOM 925 O OG1 . THR A 1 143 ? 49.544 38.554 57.305 1.00 5.27 ? 143 THR A OG1 1 ATOM 926 C CG2 . THR A 1 143 ? 51.190 39.190 55.665 1.00 3.38 ? 143 THR A CG2 1 ATOM 927 N N . GLU A 1 144 ? 49.217 37.839 52.950 1.00 3.72 ? 144 GLU A N 1 ATOM 928 C CA . GLU A 1 144 ? 49.670 37.745 51.561 1.00 6.48 ? 144 GLU A CA 1 ATOM 929 C C . GLU A 1 144 ? 48.845 38.625 50.632 1.00 5.61 ? 144 GLU A C 1 ATOM 930 O O . GLU A 1 144 ? 49.373 39.233 49.700 1.00 6.22 ? 144 GLU A O 1 ATOM 931 C CB . GLU A 1 144 ? 49.606 36.302 51.051 1.00 7.37 ? 144 GLU A CB 1 ATOM 932 C CG . GLU A 1 144 ? 50.308 36.142 49.708 1.00 10.70 ? 144 GLU A CG 1 ATOM 933 C CD . GLU A 1 144 ? 50.133 34.772 49.087 1.00 16.58 ? 144 GLU A CD 1 ATOM 934 O OE1 . GLU A 1 144 ? 50.059 33.778 49.837 1.00 22.33 ? 144 GLU A OE1 1 ATOM 935 O OE2 . GLU A 1 144 ? 50.091 34.693 47.838 1.00 15.52 ? 144 GLU A OE2 1 ATOM 936 N N . GLN A 1 145 ? 47.544 38.682 50.885 1.00 4.52 ? 145 GLN A N 1 ATOM 937 C CA . GLN A 1 145 ? 46.650 39.489 50.069 1.00 5.46 ? 145 GLN A CA 1 ATOM 938 C C . GLN A 1 145 ? 47.024 40.965 50.179 1.00 6.44 ? 145 GLN A C 1 ATOM 939 O O . GLN A 1 145 ? 47.130 41.667 49.174 1.00 8.22 ? 145 GLN A O 1 ATOM 940 C CB . GLN A 1 145 ? 45.205 39.289 50.520 1.00 5.89 ? 145 GLN A CB 1 ATOM 941 C CG . GLN A 1 145 ? 44.790 37.833 50.669 1.00 6.37 ? 145 GLN A CG 1 ATOM 942 C CD . GLN A 1 145 ? 45.207 36.974 49.490 1.00 11.28 ? 145 GLN A CD 1 ATOM 943 O OE1 . GLN A 1 145 ? 44.963 37.319 48.336 1.00 11.66 ? 145 GLN A OE1 1 ATOM 944 N NE2 . GLN A 1 145 ? 45.835 35.840 49.781 1.00 17.10 ? 145 GLN A NE2 1 ATOM 945 N N . ASN A 1 146 ? 47.219 41.434 51.406 1.00 5.95 ? 146 ASN A N 1 ATOM 946 C CA . ASN A 1 146 ? 47.584 42.828 51.630 1.00 4.83 ? 146 ASN A CA 1 ATOM 947 C C . ASN A 1 146 ? 48.950 43.128 51.016 1.00 4.83 ? 146 ASN A C 1 ATOM 948 O O . ASN A 1 146 ? 49.147 44.175 50.399 1.00 7.20 ? 146 ASN A O 1 ATOM 949 C CB . ASN A 1 146 ? 47.611 43.129 53.131 1.00 3.79 ? 146 ASN A CB 1 ATOM 950 C CG . ASN A 1 146 ? 46.273 42.874 53.805 1.00 7.75 ? 146 ASN A CG 1 ATOM 951 O OD1 . ASN A 1 146 ? 46.206 42.221 54.847 1.00 7.72 ? 146 ASN A OD1 1 ATOM 952 N ND2 . ASN A 1 146 ? 45.201 43.397 53.219 1.00 7.73 ? 146 ASN A ND2 1 ATOM 953 N N . ALA A 1 147 ? 49.893 42.205 51.182 1.00 5.88 ? 147 ALA A N 1 ATOM 954 C CA . ALA A 1 147 ? 51.232 42.397 50.635 1.00 4.11 ? 147 ALA A CA 1 ATOM 955 C C . ALA A 1 147 ? 51.172 42.590 49.122 1.00 7.60 ? 147 ALA A C 1 ATOM 956 O O . ALA A 1 147 ? 51.781 43.514 48.578 1.00 9.44 ? 147 ALA A O 1 ATOM 957 C CB . ALA A 1 147 ? 52.112 41.205 50.977 1.00 4.54 ? 147 ALA A CB 1 ATOM 958 N N . ARG A 1 148 ? 50.424 41.725 48.446 1.00 5.04 ? 148 ARG A N 1 ATOM 959 C CA . ARG A 1 148 ? 50.303 41.808 46.994 1.00 8.77 ? 148 ARG A CA 1 ATOM 960 C C . ARG A 1 148 ? 49.703 43.142 46.561 1.00 8.39 ? 148 ARG A C 1 ATOM 961 O O . ARG A 1 148 ? 50.186 43.775 45.622 1.00 10.03 ? 148 ARG A O 1 ATOM 962 C CB . ARG A 1 148 ? 49.440 40.656 46.459 1.00 7.13 ? 148 ARG A CB 1 ATOM 963 C CG . ARG A 1 148 ? 49.407 40.573 44.933 1.00 7.39 ? 148 ARG A CG 1 ATOM 964 C CD . ARG A 1 148 ? 48.453 39.484 44.435 1.00 9.77 ? 148 ARG A CD 1 ATOM 965 N NE . ARG A 1 148 ? 47.085 39.722 44.885 1.00 12.27 ? 148 ARG A NE 1 ATOM 966 C CZ . ARG A 1 148 ? 46.467 39.009 45.822 1.00 10.87 ? 148 ARG A CZ 1 ATOM 967 N NH1 . ARG A 1 148 ? 47.090 37.997 46.415 1.00 10.38 ? 148 ARG A NH1 1 ATOM 968 N NH2 . ARG A 1 148 ? 45.227 39.320 46.179 1.00 12.50 ? 148 ARG A NH2 1 ATOM 969 N N . GLN A 1 149 ? 48.654 43.576 47.252 1.00 8.62 ? 149 GLN A N 1 ATOM 970 C CA . GLN A 1 149 ? 47.997 44.832 46.911 1.00 8.41 ? 149 GLN A CA 1 ATOM 971 C C . GLN A 1 149 ? 48.893 46.035 47.180 1.00 12.95 ? 149 GLN A C 1 ATOM 972 O O . GLN A 1 149 ? 48.945 46.976 46.386 1.00 12.81 ? 149 GLN A O 1 ATOM 973 C CB . GLN A 1 149 ? 46.690 44.966 47.697 1.00 9.18 ? 149 GLN A CB 1 ATOM 974 C CG . GLN A 1 149 ? 45.766 43.765 47.517 1.00 9.73 ? 149 GLN A CG 1 ATOM 975 C CD . GLN A 1 149 ? 44.510 43.843 48.368 1.00 8.87 ? 149 GLN A CD 1 ATOM 976 O OE1 . GLN A 1 149 ? 44.489 44.491 49.416 1.00 10.75 ? 149 GLN A OE1 1 ATOM 977 N NE2 . GLN A 1 149 ? 43.459 43.155 47.930 1.00 12.00 ? 149 GLN A NE2 1 ATOM 978 N N . ILE A 1 150 ? 49.605 45.999 48.299 1.00 8.49 ? 150 ILE A N 1 ATOM 979 C CA . ILE A 1 150 ? 50.491 47.095 48.661 1.00 7.85 ? 150 ILE A CA 1 ATOM 980 C C . ILE A 1 150 ? 51.688 47.187 47.717 1.00 11.50 ? 150 ILE A C 1 ATOM 981 O O . ILE A 1 150 ? 52.096 48.284 47.334 1.00 10.04 ? 150 ILE A O 1 ATOM 982 C CB . ILE A 1 150 ? 50.965 46.945 50.125 1.00 8.82 ? 150 ILE A CB 1 ATOM 983 C CG1 . ILE A 1 150 ? 49.779 47.188 51.063 1.00 9.67 ? 150 ILE A CG1 1 ATOM 984 C CG2 . ILE A 1 150 ? 52.094 47.924 50.424 1.00 10.29 ? 150 ILE A CG2 1 ATOM 985 C CD1 . ILE A 1 150 ? 50.059 46.887 52.530 1.00 9.09 ? 150 ILE A CD1 1 ATOM 986 N N . LEU A 1 151 ? 52.247 46.039 47.338 1.00 8.65 ? 151 LEU A N 1 ATOM 987 C CA . LEU A 1 151 ? 53.387 46.025 46.428 1.00 11.60 ? 151 LEU A CA 1 ATOM 988 C C . LEU A 1 151 ? 53.001 46.632 45.086 1.00 14.98 ? 151 LEU A C 1 ATOM 989 O O . LEU A 1 151 ? 53.790 47.356 44.477 1.00 14.43 ? 151 LEU A O 1 ATOM 990 C CB . LEU A 1 151 ? 53.901 44.598 46.226 1.00 10.37 ? 151 LEU A CB 1 ATOM 991 C CG . LEU A 1 151 ? 54.745 44.019 47.367 1.00 13.60 ? 151 LEU A CG 1 ATOM 992 C CD1 . LEU A 1 151 ? 55.010 42.541 47.123 1.00 14.17 ? 151 LEU A CD1 1 ATOM 993 C CD2 . LEU A 1 151 ? 56.055 44.788 47.464 1.00 15.25 ? 151 LEU A CD2 1 ATOM 994 N N . GLU A 1 152 ? 51.786 46.347 44.627 1.00 12.61 ? 152 GLU A N 1 ATOM 995 C CA . GLU A 1 152 ? 51.334 46.891 43.351 1.00 15.86 ? 152 GLU A CA 1 ATOM 996 C C . GLU A 1 152 ? 51.205 48.406 43.441 1.00 18.09 ? 152 GLU A C 1 ATOM 997 O O . GLU A 1 152 ? 51.438 49.115 42.463 1.00 17.11 ? 152 GLU A O 1 ATOM 998 C CB . GLU A 1 152 ? 49.993 46.280 42.932 1.00 17.76 ? 152 GLU A CB 1 ATOM 999 C CG . GLU A 1 152 ? 49.498 46.811 41.586 1.00 30.03 ? 152 GLU A CG 1 ATOM 1000 C CD . GLU A 1 152 ? 48.277 46.079 41.059 1.00 32.40 ? 152 GLU A CD 1 ATOM 1001 O OE1 . GLU A 1 152 ? 47.245 46.053 41.759 1.00 32.90 ? 152 GLU A OE1 1 ATOM 1002 O OE2 . GLU A 1 152 ? 48.351 45.533 39.936 1.00 41.01 ? 152 GLU A OE2 1 ATOM 1003 N N . ALA A 1 153 ? 50.837 48.899 44.621 1.00 16.98 ? 153 ALA A N 1 ATOM 1004 C CA . ALA A 1 153 ? 50.692 50.334 44.842 1.00 19.78 ? 153 ALA A CA 1 ATOM 1005 C C . ALA A 1 153 ? 52.055 51.011 44.729 1.00 18.54 ? 153 ALA A C 1 ATOM 1006 O O . ALA A 1 153 ? 52.147 52.221 44.518 1.00 18.41 ? 153 ALA A O 1 ATOM 1007 C CB . ALA A 1 153 ? 50.091 50.591 46.215 1.00 21.72 ? 153 ALA A CB 1 ATOM 1008 N N . TYR A 1 154 ? 53.112 50.219 44.879 1.00 16.73 ? 154 TYR A N 1 ATOM 1009 C CA . TYR A 1 154 ? 54.475 50.724 44.783 1.00 16.40 ? 154 TYR A CA 1 ATOM 1010 C C . TYR A 1 154 ? 55.126 50.291 43.471 1.00 14.35 ? 154 TYR A C 1 ATOM 1011 O O . TYR A 1 154 ? 56.339 50.414 43.297 1.00 14.79 ? 154 TYR A O 1 ATOM 1012 C CB . TYR A 1 154 ? 55.301 50.237 45.976 1.00 15.16 ? 154 TYR A CB 1 ATOM 1013 C CG . TYR A 1 154 ? 55.071 51.046 47.234 1.00 13.91 ? 154 TYR A CG 1 ATOM 1014 C CD1 . TYR A 1 154 ? 55.917 52.103 47.570 1.00 14.31 ? 154 TYR A CD1 1 ATOM 1015 C CD2 . TYR A 1 154 ? 53.993 50.773 48.074 1.00 13.30 ? 154 TYR A CD2 1 ATOM 1016 C CE1 . TYR A 1 154 ? 55.697 52.869 48.714 1.00 15.55 ? 154 TYR A CE1 1 ATOM 1017 C CE2 . TYR A 1 154 ? 53.762 51.533 49.219 1.00 10.93 ? 154 TYR A CE2 1 ATOM 1018 C CZ . TYR A 1 154 ? 54.617 52.578 49.534 1.00 13.08 ? 154 TYR A CZ 1 ATOM 1019 O OH . TYR A 1 154 ? 54.392 53.331 50.664 1.00 13.04 ? 154 TYR A OH 1 ATOM 1020 N N . GLY A 1 155 ? 54.305 49.777 42.558 1.00 15.01 ? 155 GLY A N 1 ATOM 1021 C CA . GLY A 1 155 ? 54.792 49.349 41.255 1.00 18.15 ? 155 GLY A CA 1 ATOM 1022 C C . GLY A 1 155 ? 55.536 48.029 41.201 1.00 18.85 ? 155 GLY A C 1 ATOM 1023 O O . GLY A 1 155 ? 56.340 47.810 40.296 1.00 18.64 ? 155 GLY A O 1 ATOM 1024 N N . LEU A 1 156 ? 55.270 47.140 42.153 1.00 18.06 ? 156 LEU A N 1 ATOM 1025 C CA . LEU A 1 156 ? 55.946 45.851 42.186 1.00 15.94 ? 156 LEU A CA 1 ATOM 1026 C C . LEU A 1 156 ? 54.981 44.672 42.229 1.00 15.83 ? 156 LEU A C 1 ATOM 1027 O O . LEU A 1 156 ? 53.800 44.826 42.539 1.00 16.19 ? 156 LEU A O 1 ATOM 1028 C CB . LEU A 1 156 ? 56.869 45.765 43.407 1.00 16.01 ? 156 LEU A CB 1 ATOM 1029 C CG . LEU A 1 156 ? 57.949 46.833 43.588 1.00 14.03 ? 156 LEU A CG 1 ATOM 1030 C CD1 . LEU A 1 156 ? 58.720 46.561 44.874 1.00 16.06 ? 156 LEU A CD1 1 ATOM 1031 C CD2 . LEU A 1 156 ? 58.888 46.821 42.393 1.00 19.15 ? 156 LEU A CD2 1 ATOM 1032 N N . THR A 1 157 ? 55.510 43.495 41.912 1.00 16.04 ? 157 THR A N 1 ATOM 1033 C CA . THR A 1 157 ? 54.755 42.249 41.937 1.00 11.71 ? 157 THR A CA 1 ATOM 1034 C C . THR A 1 157 ? 55.658 41.253 42.650 1.00 13.56 ? 157 THR A C 1 ATOM 1035 O O . THR A 1 157 ? 56.842 41.520 42.852 1.00 13.10 ? 157 THR A O 1 ATOM 1036 C CB . THR A 1 157 ? 54.478 41.708 40.525 1.00 17.19 ? 157 THR A CB 1 ATOM 1037 O OG1 . THR A 1 157 ? 55.712 41.300 39.923 1.00 17.47 ? 157 THR A OG1 1 ATOM 1038 C CG2 . THR A 1 157 ? 53.817 42.771 39.663 1.00 20.50 ? 157 THR A CG2 1 ATOM 1039 N N . PHE A 1 158 ? 55.111 40.107 43.034 1.00 12.91 ? 158 PHE A N 1 ATOM 1040 C CA . PHE A 1 158 ? 55.913 39.101 43.712 1.00 11.62 ? 158 PHE A CA 1 ATOM 1041 C C . PHE A 1 158 ? 57.091 38.664 42.843 1.00 10.76 ? 158 PHE A C 1 ATOM 1042 O O . PHE A 1 158 ? 58.155 38.320 43.356 1.00 13.77 ? 158 PHE A O 1 ATOM 1043 C CB . PHE A 1 158 ? 55.045 37.893 44.081 1.00 11.73 ? 158 PHE A CB 1 ATOM 1044 C CG . PHE A 1 158 ? 54.174 38.113 45.291 1.00 11.61 ? 158 PHE A CG 1 ATOM 1045 C CD1 . PHE A 1 158 ? 54.098 39.363 45.901 1.00 11.38 ? 158 PHE A CD1 1 ATOM 1046 C CD2 . PHE A 1 158 ? 53.436 37.063 45.830 1.00 14.24 ? 158 PHE A CD2 1 ATOM 1047 C CE1 . PHE A 1 158 ? 53.301 39.565 47.031 1.00 14.20 ? 158 PHE A CE1 1 ATOM 1048 C CE2 . PHE A 1 158 ? 52.638 37.255 46.958 1.00 15.50 ? 158 PHE A CE2 1 ATOM 1049 C CZ . PHE A 1 158 ? 52.571 38.509 47.558 1.00 11.91 ? 158 PHE A CZ 1 ATOM 1050 N N . ASP A 1 159 ? 56.899 38.689 41.527 1.00 13.10 ? 159 ASP A N 1 ATOM 1051 C CA . ASP A 1 159 ? 57.955 38.298 40.597 1.00 12.27 ? 159 ASP A CA 1 ATOM 1052 C C . ASP A 1 159 ? 59.134 39.267 40.603 1.00 13.80 ? 159 ASP A C 1 ATOM 1053 O O . ASP A 1 159 ? 60.243 38.896 40.220 1.00 13.62 ? 159 ASP A O 1 ATOM 1054 C CB . ASP A 1 159 ? 57.397 38.173 39.174 1.00 13.97 ? 159 ASP A CB 1 ATOM 1055 C CG . ASP A 1 159 ? 56.694 36.850 38.939 1.00 19.01 ? 159 ASP A CG 1 ATOM 1056 O OD1 . ASP A 1 159 ? 56.598 36.052 39.896 1.00 24.03 ? 159 ASP A OD1 1 ATOM 1057 O OD2 . ASP A 1 159 ? 56.241 36.605 37.800 1.00 19.93 ? 159 ASP A OD2 1 ATOM 1058 N N . ASP A 1 160 ? 58.895 40.504 41.029 1.00 13.87 ? 160 ASP A N 1 ATOM 1059 C CA . ASP A 1 160 ? 59.962 41.499 41.088 1.00 13.35 ? 160 ASP A CA 1 ATOM 1060 C C . ASP A 1 160 ? 60.806 41.312 42.348 1.00 15.34 ? 160 ASP A C 1 ATOM 1061 O O . ASP A 1 160 ? 61.874 41.908 42.488 1.00 11.11 ? 160 ASP A O 1 ATOM 1062 C CB . ASP A 1 160 ? 59.386 42.916 41.063 1.00 13.71 ? 160 ASP A CB 1 ATOM 1063 C CG . ASP A 1 160 ? 58.710 43.243 39.750 1.00 23.18 ? 160 ASP A CG 1 ATOM 1064 O OD1 . ASP A 1 160 ? 59.329 43.006 38.689 1.00 26.37 ? 160 ASP A OD1 1 ATOM 1065 O OD2 . ASP A 1 160 ? 57.567 43.743 39.779 1.00 21.56 ? 160 ASP A OD2 1 ATOM 1066 N N . LEU A 1 161 ? 60.319 40.483 43.265 1.00 11.47 ? 161 LEU A N 1 ATOM 1067 C CA . LEU A 1 161 ? 61.049 40.211 44.496 1.00 9.44 ? 161 LEU A CA 1 ATOM 1068 C C . LEU A 1 161 ? 62.128 39.180 44.184 1.00 12.07 ? 161 LEU A C 1 ATOM 1069 O O . LEU A 1 161 ? 62.032 38.461 43.189 1.00 13.91 ? 161 LEU A O 1 ATOM 1070 C CB . LEU A 1 161 ? 60.106 39.643 45.563 1.00 10.36 ? 161 LEU A CB 1 ATOM 1071 C CG . LEU A 1 161 ? 58.897 40.491 45.965 1.00 12.93 ? 161 LEU A CG 1 ATOM 1072 C CD1 . LEU A 1 161 ? 58.048 39.726 46.978 1.00 10.95 ? 161 LEU A CD1 1 ATOM 1073 C CD2 . LEU A 1 161 ? 59.370 41.815 46.549 1.00 10.71 ? 161 LEU A CD2 1 ATOM 1074 N N . GLY A 1 162 ? 63.158 39.117 45.022 1.00 10.31 ? 162 GLY A N 1 ATOM 1075 C CA . GLY A 1 162 ? 64.208 38.136 44.814 1.00 10.87 ? 162 GLY A CA 1 ATOM 1076 C C . GLY A 1 162 ? 63.604 36.771 45.088 1.00 16.31 ? 162 GLY A C 1 ATOM 1077 O O . GLY A 1 162 ? 63.815 35.813 44.343 1.00 15.17 ? 162 GLY A O 1 ATOM 1078 N N . GLN A 1 163 ? 62.849 36.696 46.180 1.00 12.65 ? 163 GLN A N 1 ATOM 1079 C CA . GLN A 1 163 ? 62.154 35.482 46.586 1.00 12.11 ? 163 GLN A CA 1 ATOM 1080 C C . GLN A 1 163 ? 60.878 35.891 47.312 1.00 10.98 ? 163 GLN A C 1 ATOM 1081 O O . GLN A 1 163 ? 60.891 36.826 48.111 1.00 13.81 ? 163 GLN A O 1 ATOM 1082 C CB . GLN A 1 163 ? 62.992 34.639 47.554 1.00 14.97 ? 163 GLN A CB 1 ATOM 1083 C CG . GLN A 1 163 ? 64.298 34.099 47.016 1.00 24.70 ? 163 GLN A CG 1 ATOM 1084 C CD . GLN A 1 163 ? 64.860 33.000 47.902 1.00 29.01 ? 163 GLN A CD 1 ATOM 1085 O OE1 . GLN A 1 163 ? 64.942 33.149 49.122 1.00 27.53 ? 163 GLN A OE1 1 ATOM 1086 N NE2 . GLN A 1 163 ? 65.251 31.889 47.289 1.00 36.14 ? 163 GLN A NE2 1 ATOM 1087 N N . ALA A 1 164 ? 59.779 35.201 47.026 1.00 8.76 ? 164 ALA A N 1 ATOM 1088 C CA . ALA A 1 164 ? 58.508 35.468 47.694 1.00 9.10 ? 164 ALA A CA 1 ATOM 1089 C C . ALA A 1 164 ? 58.297 34.233 48.559 1.00 12.29 ? 164 ALA A C 1 ATOM 1090 O O . ALA A 1 164 ? 57.926 33.168 48.064 1.00 14.74 ? 164 ALA A O 1 ATOM 1091 C CB . ALA A 1 164 ? 57.380 35.616 46.676 1.00 11.06 ? 164 ALA A CB 1 ATOM 1092 N N . ILE A 1 165 ? 58.543 34.386 49.854 1.00 6.68 ? 165 ILE A N 1 ATOM 1093 C CA . ILE A 1 165 ? 58.454 33.281 50.799 1.00 6.59 ? 165 ILE A CA 1 ATOM 1094 C C . ILE A 1 165 ? 57.146 33.246 51.572 1.00 10.78 ? 165 ILE A C 1 ATOM 1095 O O . ILE A 1 165 ? 56.733 34.253 52.139 1.00 6.52 ? 165 ILE A O 1 ATOM 1096 C CB . ILE A 1 165 ? 59.612 33.368 51.810 1.00 7.01 ? 165 ILE A CB 1 ATOM 1097 C CG1 . ILE A 1 165 ? 60.941 33.453 51.055 1.00 8.09 ? 165 ILE A CG1 1 ATOM 1098 C CG2 . ILE A 1 165 ? 59.593 32.160 52.739 1.00 8.00 ? 165 ILE A CG2 1 ATOM 1099 C CD1 . ILE A 1 165 ? 62.111 33.872 51.918 1.00 15.13 ? 165 ILE A CD1 1 ATOM 1100 N N . ARG A 1 166 ? 56.508 32.078 51.594 1.00 8.69 ? 166 ARG A N 1 ATOM 1101 C CA . ARG A 1 166 ? 55.247 31.894 52.312 1.00 9.16 ? 166 ARG A CA 1 ATOM 1102 C C . ARG A 1 166 ? 55.455 30.885 53.437 1.00 10.28 ? 166 ARG A C 1 ATOM 1103 O O . ARG A 1 166 ? 55.565 29.680 53.192 1.00 8.82 ? 166 ARG A O 1 ATOM 1104 C CB . ARG A 1 166 ? 54.158 31.390 51.360 1.00 12.88 ? 166 ARG A CB 1 ATOM 1105 C CG . ARG A 1 166 ? 53.822 32.345 50.229 1.00 13.57 ? 166 ARG A CG 1 ATOM 1106 C CD . ARG A 1 166 ? 52.789 31.731 49.290 1.00 22.18 ? 166 ARG A CD 1 ATOM 1107 N NE . ARG A 1 166 ? 52.391 32.646 48.225 1.00 29.02 ? 166 ARG A NE 1 ATOM 1108 C CZ . ARG A 1 166 ? 53.193 33.071 47.253 1.00 34.33 ? 166 ARG A CZ 1 ATOM 1109 N NH1 . ARG A 1 166 ? 54.456 32.666 47.199 1.00 36.63 ? 166 ARG A NH1 1 ATOM 1110 N NH2 . ARG A 1 166 ? 52.729 33.903 46.330 1.00 32.03 ? 166 ARG A NH2 1 ATOM 1111 N N . VAL A 1 167 ? 55.513 31.385 54.668 1.00 6.09 ? 167 VAL A N 1 ATOM 1112 C CA . VAL A 1 167 ? 55.723 30.544 55.845 1.00 6.79 ? 167 VAL A CA 1 ATOM 1113 C C . VAL A 1 167 ? 54.977 31.131 57.039 1.00 11.20 ? 167 VAL A C 1 ATOM 1114 O O . VAL A 1 167 ? 54.410 32.218 56.943 1.00 9.59 ? 167 VAL A O 1 ATOM 1115 C CB . VAL A 1 167 ? 57.226 30.463 56.210 1.00 8.81 ? 167 VAL A CB 1 ATOM 1116 C CG1 . VAL A 1 167 ? 57.987 29.680 55.147 1.00 9.39 ? 167 VAL A CG1 1 ATOM 1117 C CG2 . VAL A 1 167 ? 57.802 31.871 56.335 1.00 7.98 ? 167 VAL A CG2 1 ATOM 1118 N N . SER A 1 168 ? 54.990 30.412 58.161 1.00 7.29 ? 168 SER A N 1 ATOM 1119 C CA . SER A 1 168 ? 54.325 30.864 59.383 1.00 8.08 ? 168 SER A CA 1 ATOM 1120 C C . SER A 1 168 ? 55.113 32.010 60.006 1.00 11.42 ? 168 SER A C 1 ATOM 1121 O O . SER A 1 168 ? 56.242 32.285 59.604 1.00 8.54 ? 168 SER A O 1 ATOM 1122 C CB . SER A 1 168 ? 54.246 29.724 60.398 1.00 11.26 ? 168 SER A CB 1 ATOM 1123 O OG . SER A 1 168 ? 55.534 29.438 60.929 1.00 9.99 ? 168 SER A OG 1 ATOM 1124 N N . ALA A 1 169 ? 54.518 32.669 60.998 1.00 8.96 ? 169 ALA A N 1 ATOM 1125 C CA . ALA A 1 169 ? 55.184 33.774 61.677 1.00 8.77 ? 169 ALA A CA 1 ATOM 1126 C C . ALA A 1 169 ? 56.469 33.302 62.351 1.00 10.43 ? 169 ALA A C 1 ATOM 1127 O O . ALA A 1 169 ? 57.501 33.968 62.268 1.00 9.11 ? 169 ALA A O 1 ATOM 1128 C CB . ALA A 1 169 ? 54.248 34.395 62.709 1.00 6.00 ? 169 ALA A CB 1 ATOM 1129 N N . SER A 1 170 ? 56.412 32.154 63.017 1.00 10.11 ? 170 SER A N 1 ATOM 1130 C CA . SER A 1 170 ? 57.592 31.628 63.692 1.00 11.32 ? 170 SER A CA 1 ATOM 1131 C C . SER A 1 170 ? 58.704 31.270 62.707 1.00 8.75 ? 170 SER A C 1 ATOM 1132 O O . SER A 1 170 ? 59.880 31.528 62.973 1.00 10.47 ? 170 SER A O 1 ATOM 1133 C CB . SER A 1 170 ? 57.215 30.413 64.543 1.00 11.01 ? 170 SER A CB 1 ATOM 1134 O OG . SER A 1 170 ? 56.411 30.820 65.638 1.00 15.51 ? 170 SER A OG 1 ATOM 1135 N N . GLN A 1 171 ? 58.334 30.690 61.568 1.00 8.03 ? 171 GLN A N 1 ATOM 1136 C CA . GLN A 1 171 ? 59.317 30.324 60.547 1.00 11.19 ? 171 GLN A CA 1 ATOM 1137 C C . GLN A 1 171 ? 59.868 31.602 59.923 1.00 9.75 ? 171 GLN A C 1 ATOM 1138 O O . GLN A 1 171 ? 61.063 31.722 59.655 1.00 9.58 ? 171 GLN A O 1 ATOM 1139 C CB . GLN A 1 171 ? 58.670 29.480 59.444 1.00 13.92 ? 171 GLN A CB 1 ATOM 1140 C CG A GLN A 1 171 ? 59.614 28.485 58.784 0.50 20.30 ? 171 GLN A CG 1 ATOM 1141 C CG B GLN A 1 171 ? 58.200 28.100 59.864 0.50 17.78 ? 171 GLN A CG 1 ATOM 1142 C CD A GLN A 1 171 ? 58.888 27.518 57.871 0.50 23.24 ? 171 GLN A CD 1 ATOM 1143 C CD B GLN A 1 171 ? 57.507 27.374 58.721 0.50 30.13 ? 171 GLN A CD 1 ATOM 1144 O OE1 A GLN A 1 171 ? 57.753 27.131 58.143 0.50 30.16 ? 171 GLN A OE1 1 ATOM 1145 O OE1 B GLN A 1 171 ? 56.411 27.755 58.298 0.50 16.18 ? 171 GLN A OE1 1 ATOM 1146 N NE2 A GLN A 1 171 ? 59.545 27.109 56.791 0.50 29.47 ? 171 GLN A NE2 1 ATOM 1147 N NE2 B GLN A 1 171 ? 58.146 26.329 58.211 0.50 29.25 ? 171 GLN A NE2 1 ATOM 1148 N N . GLY A 1 172 ? 58.976 32.558 59.695 1.00 7.42 ? 172 GLY A N 1 ATOM 1149 C CA . GLY A 1 172 ? 59.371 33.815 59.085 1.00 8.52 ? 172 GLY A CA 1 ATOM 1150 C C . GLY A 1 172 ? 60.401 34.604 59.867 1.00 7.85 ? 172 GLY A C 1 ATOM 1151 O O . GLY A 1 172 ? 61.369 35.107 59.289 1.00 5.81 ? 172 GLY A O 1 ATOM 1152 N N . ILE A 1 173 ? 60.212 34.731 61.176 1.00 7.87 ? 173 ILE A N 1 ATOM 1153 C CA . ILE A 1 173 ? 61.176 35.487 61.964 1.00 5.67 ? 173 ILE A CA 1 ATOM 1154 C C . ILE A 1 173 ? 62.477 34.706 62.088 1.00 7.19 ? 173 ILE A C 1 ATOM 1155 O O . ILE A 1 173 ? 63.545 35.292 62.233 1.00 10.43 ? 173 ILE A O 1 ATOM 1156 C CB . ILE A 1 173 ? 60.639 35.841 63.377 1.00 11.46 ? 173 ILE A CB 1 ATOM 1157 C CG1 . ILE A 1 173 ? 60.341 34.570 64.172 1.00 14.73 ? 173 ILE A CG1 1 ATOM 1158 C CG2 . ILE A 1 173 ? 59.395 36.715 63.251 1.00 7.38 ? 173 ILE A CG2 1 ATOM 1159 C CD1 . ILE A 1 173 ? 59.984 34.835 65.621 1.00 24.26 ? 173 ILE A CD1 1 ATOM 1160 N N . GLN A 1 174 ? 62.386 33.381 62.029 1.00 9.70 ? 174 GLN A N 1 ATOM 1161 C CA . GLN A 1 174 ? 63.578 32.550 62.106 1.00 9.76 ? 174 GLN A CA 1 ATOM 1162 C C . GLN A 1 174 ? 64.433 32.835 60.871 1.00 9.57 ? 174 GLN A C 1 ATOM 1163 O O . GLN A 1 174 ? 65.656 32.955 60.966 1.00 10.05 ? 174 GLN A O 1 ATOM 1164 C CB . GLN A 1 174 ? 63.184 31.070 62.175 1.00 17.37 ? 174 GLN A CB 1 ATOM 1165 C CG . GLN A 1 174 ? 64.347 30.089 62.079 1.00 22.47 ? 174 GLN A CG 1 ATOM 1166 C CD . GLN A 1 174 ? 64.601 29.625 60.655 1.00 34.05 ? 174 GLN A CD 1 ATOM 1167 O OE1 . GLN A 1 174 ? 63.722 29.047 60.014 1.00 34.37 ? 174 GLN A OE1 1 ATOM 1168 N NE2 . GLN A 1 174 ? 65.808 29.873 60.154 1.00 32.19 ? 174 GLN A NE2 1 ATOM 1169 N N . LEU A 1 175 ? 63.785 32.963 59.716 1.00 9.00 ? 175 LEU A N 1 ATOM 1170 C CA . LEU A 1 175 ? 64.499 33.254 58.477 1.00 8.28 ? 175 LEU A CA 1 ATOM 1171 C C . LEU A 1 175 ? 65.145 34.631 58.575 1.00 8.40 ? 175 LEU A C 1 ATOM 1172 O O . LEU A 1 175 ? 66.274 34.826 58.131 1.00 7.47 ? 175 LEU A O 1 ATOM 1173 C CB . LEU A 1 175 ? 63.543 33.217 57.283 1.00 8.83 ? 175 LEU A CB 1 ATOM 1174 C CG . LEU A 1 175 ? 62.973 31.847 56.907 1.00 12.65 ? 175 LEU A CG 1 ATOM 1175 C CD1 . LEU A 1 175 ? 61.968 32.001 55.770 1.00 12.32 ? 175 LEU A CD1 1 ATOM 1176 C CD2 . LEU A 1 175 ? 64.114 30.918 56.498 1.00 12.30 ? 175 LEU A CD2 1 HETATM 1177 N N . MSE A 1 176 ? 64.416 35.582 59.154 1.00 8.49 ? 176 MSE A N 1 HETATM 1178 C CA . MSE A 1 176 ? 64.919 36.941 59.331 1.00 7.88 ? 176 MSE A CA 1 HETATM 1179 C C . MSE A 1 176 ? 66.122 36.945 60.270 1.00 8.80 ? 176 MSE A C 1 HETATM 1180 O O . MSE A 1 176 ? 67.126 37.595 59.997 1.00 10.01 ? 176 MSE A O 1 HETATM 1181 C CB . MSE A 1 176 ? 63.822 37.840 59.909 1.00 9.77 ? 176 MSE A CB 1 HETATM 1182 C CG . MSE A 1 176 ? 62.692 38.151 58.941 1.00 12.13 ? 176 MSE A CG 1 HETATM 1183 SE SE . MSE A 1 176 ? 63.205 39.464 57.623 1.00 13.45 ? 176 MSE A SE 1 HETATM 1184 C CE . MSE A 1 176 ? 63.037 41.037 58.733 1.00 12.38 ? 176 MSE A CE 1 ATOM 1185 N N . GLN A 1 177 ? 66.010 36.216 61.376 1.00 6.72 ? 177 GLN A N 1 ATOM 1186 C CA . GLN A 1 177 ? 67.091 36.139 62.354 1.00 8.98 ? 177 GLN A CA 1 ATOM 1187 C C . GLN A 1 177 ? 68.346 35.499 61.767 1.00 11.94 ? 177 GLN A C 1 ATOM 1188 O O . GLN A 1 177 ? 69.460 35.935 62.053 1.00 10.88 ? 177 GLN A O 1 ATOM 1189 C CB . GLN A 1 177 ? 66.635 35.347 63.584 1.00 9.78 ? 177 GLN A CB 1 ATOM 1190 C CG . GLN A 1 177 ? 65.522 36.027 64.369 1.00 9.91 ? 177 GLN A CG 1 ATOM 1191 C CD . GLN A 1 177 ? 64.922 35.129 65.429 1.00 13.90 ? 177 GLN A CD 1 ATOM 1192 O OE1 . GLN A 1 177 ? 64.621 33.965 65.168 1.00 12.42 ? 177 GLN A OE1 1 ATOM 1193 N NE2 . GLN A 1 177 ? 64.730 35.669 66.631 1.00 12.64 ? 177 GLN A NE2 1 ATOM 1194 N N . ASP A 1 178 ? 68.171 34.469 60.945 1.00 12.06 ? 178 ASP A N 1 ATOM 1195 C CA . ASP A 1 178 ? 69.322 33.794 60.350 1.00 13.20 ? 178 ASP A CA 1 ATOM 1196 C C . ASP A 1 178 ? 69.798 34.446 59.059 1.00 13.16 ? 178 ASP A C 1 ATOM 1197 O O . ASP A 1 178 ? 70.711 33.945 58.400 1.00 13.71 ? 178 ASP A O 1 ATOM 1198 C CB . ASP A 1 178 ? 69.011 32.316 60.104 1.00 17.30 ? 178 ASP A CB 1 ATOM 1199 C CG . ASP A 1 178 ? 68.808 31.542 61.395 1.00 20.24 ? 178 ASP A CG 1 ATOM 1200 O OD1 . ASP A 1 178 ? 69.483 31.861 62.400 1.00 21.91 ? 178 ASP A OD1 1 ATOM 1201 O OD2 . ASP A 1 178 ? 67.984 30.604 61.403 1.00 25.17 ? 178 ASP A OD2 1 ATOM 1202 N N . LYS A 1 179 ? 69.174 35.566 58.709 1.00 9.42 ? 179 LYS A N 1 ATOM 1203 C CA . LYS A 1 179 ? 69.516 36.324 57.512 1.00 14.00 ? 179 LYS A CA 1 ATOM 1204 C C . LYS A 1 179 ? 69.246 35.588 56.203 1.00 14.10 ? 179 LYS A C 1 ATOM 1205 O O . LYS A 1 179 ? 69.978 35.751 55.226 1.00 14.15 ? 179 LYS A O 1 ATOM 1206 C CB . LYS A 1 179 ? 70.980 36.771 57.581 1.00 18.77 ? 179 LYS A CB 1 ATOM 1207 C CG . LYS A 1 179 ? 71.285 37.619 58.809 1.00 20.56 ? 179 LYS A CG 1 ATOM 1208 C CD . LYS A 1 179 ? 72.717 38.133 58.815 1.00 28.07 ? 179 LYS A CD 1 ATOM 1209 C CE . LYS A 1 179 ? 72.992 38.946 60.073 1.00 25.94 ? 179 LYS A CE 1 ATOM 1210 N NZ . LYS A 1 179 ? 74.316 39.620 60.033 1.00 36.14 ? 179 LYS A NZ 1 ATOM 1211 N N . ARG A 1 180 ? 68.188 34.781 56.190 1.00 10.95 ? 180 ARG A N 1 ATOM 1212 C CA . ARG A 1 180 ? 67.795 34.037 54.995 1.00 8.92 ? 180 ARG A CA 1 ATOM 1213 C C . ARG A 1 180 ? 66.634 34.769 54.331 1.00 7.79 ? 180 ARG A C 1 ATOM 1214 O O . ARG A 1 180 ? 66.134 34.364 53.281 1.00 9.42 ? 180 ARG A O 1 ATOM 1215 C CB . ARG A 1 180 ? 67.383 32.611 55.368 1.00 11.56 ? 180 ARG A CB 1 ATOM 1216 C CG . ARG A 1 180 ? 68.513 31.795 55.983 1.00 18.28 ? 180 ARG A CG 1 ATOM 1217 C CD . ARG A 1 180 ? 68.012 30.456 56.498 1.00 25.79 ? 180 ARG A CD 1 ATOM 1218 N NE . ARG A 1 180 ? 67.483 29.619 55.426 1.00 32.82 ? 180 ARG A NE 1 ATOM 1219 C CZ . ARG A 1 180 ? 66.874 28.453 55.622 1.00 35.36 ? 180 ARG A CZ 1 ATOM 1220 N NH1 . ARG A 1 180 ? 66.716 27.983 56.852 1.00 34.03 ? 180 ARG A NH1 1 ATOM 1221 N NH2 . ARG A 1 180 ? 66.422 27.759 54.586 1.00 35.39 ? 180 ARG A NH2 1 ATOM 1222 N N . ALA A 1 181 ? 66.210 35.853 54.970 1.00 7.51 ? 181 ALA A N 1 ATOM 1223 C CA . ALA A 1 181 ? 65.136 36.702 54.470 1.00 6.49 ? 181 ALA A CA 1 ATOM 1224 C C . ALA A 1 181 ? 65.568 38.136 54.764 1.00 6.75 ? 181 ALA A C 1 ATOM 1225 O O . ALA A 1 181 ? 66.310 38.373 55.718 1.00 10.61 ? 181 ALA A O 1 ATOM 1226 C CB . ALA A 1 181 ? 63.826 36.384 55.185 1.00 7.66 ? 181 ALA A CB 1 ATOM 1227 N N . ASP A 1 182 ? 65.113 39.083 53.948 1.00 6.87 ? 182 ASP A N 1 ATOM 1228 C CA . ASP A 1 182 ? 65.472 40.491 54.127 1.00 8.77 ? 182 ASP A CA 1 ATOM 1229 C C . ASP A 1 182 ? 64.335 41.323 54.709 1.00 8.62 ? 182 ASP A C 1 ATOM 1230 O O . ASP A 1 182 ? 64.568 42.312 55.406 1.00 6.95 ? 182 ASP A O 1 ATOM 1231 C CB . ASP A 1 182 ? 65.891 41.100 52.790 1.00 8.09 ? 182 ASP A CB 1 ATOM 1232 C CG . ASP A 1 182 ? 67.014 40.335 52.130 1.00 12.41 ? 182 ASP A CG 1 ATOM 1233 O OD1 . ASP A 1 182 ? 68.067 40.170 52.775 1.00 14.34 ? 182 ASP A OD1 1 ATOM 1234 O OD2 . ASP A 1 182 ? 66.845 39.905 50.970 1.00 12.87 ? 182 ASP A OD2 1 ATOM 1235 N N . ALA A 1 183 ? 63.104 40.929 54.409 1.00 7.90 ? 183 ALA A N 1 ATOM 1236 C CA . ALA A 1 183 ? 61.939 41.654 54.899 1.00 5.12 ? 183 ALA A CA 1 ATOM 1237 C C . ALA A 1 183 ? 60.789 40.692 55.130 1.00 4.17 ? 183 ALA A C 1 ATOM 1238 O O . ALA A 1 183 ? 60.777 39.583 54.595 1.00 7.46 ? 183 ALA A O 1 ATOM 1239 C CB . ALA A 1 183 ? 61.532 42.730 53.896 1.00 5.24 ? 183 ALA A CB 1 ATOM 1240 N N . LEU A 1 184 ? 59.820 41.127 55.925 1.00 5.24 ? 184 LEU A N 1 ATOM 1241 C CA . LEU A 1 184 ? 58.668 40.298 56.240 1.00 6.76 ? 184 LEU A CA 1 ATOM 1242 C C . LEU A 1 184 ? 57.413 41.141 56.410 1.00 4.76 ? 184 LEU A C 1 ATOM 1243 O O . LEU A 1 184 ? 57.450 42.206 57.031 1.00 4.79 ? 184 LEU A O 1 ATOM 1244 C CB . LEU A 1 184 ? 58.949 39.500 57.521 1.00 6.08 ? 184 LEU A CB 1 ATOM 1245 C CG . LEU A 1 184 ? 57.837 38.664 58.165 1.00 6.42 ? 184 LEU A CG 1 ATOM 1246 C CD1 . LEU A 1 184 ? 58.448 37.445 58.851 1.00 8.57 ? 184 LEU A CD1 1 ATOM 1247 C CD2 . LEU A 1 184 ? 57.061 39.521 59.169 1.00 5.12 ? 184 LEU A CD2 1 ATOM 1248 N N . PHE A 1 185 ? 56.317 40.675 55.816 1.00 3.66 ? 185 PHE A N 1 ATOM 1249 C CA . PHE A 1 185 ? 55.019 41.337 55.931 1.00 4.73 ? 185 PHE A CA 1 ATOM 1250 C C . PHE A 1 185 ? 54.195 40.560 56.943 1.00 2.91 ? 185 PHE A C 1 ATOM 1251 O O . PHE A 1 185 ? 54.270 39.334 56.991 1.00 6.44 ? 185 PHE A O 1 ATOM 1252 C CB . PHE A 1 185 ? 54.225 41.277 54.625 1.00 4.40 ? 185 PHE A CB 1 ATOM 1253 C CG . PHE A 1 185 ? 54.609 42.310 53.615 1.00 6.42 ? 185 PHE A CG 1 ATOM 1254 C CD1 . PHE A 1 185 ? 55.760 42.163 52.851 1.00 10.27 ? 185 PHE A CD1 1 ATOM 1255 C CD2 . PHE A 1 185 ? 53.786 43.410 53.392 1.00 6.02 ? 185 PHE A CD2 1 ATOM 1256 C CE1 . PHE A 1 185 ? 56.085 43.098 51.874 1.00 10.23 ? 185 PHE A CE1 1 ATOM 1257 C CE2 . PHE A 1 185 ? 54.104 44.353 52.416 1.00 5.95 ? 185 PHE A CE2 1 ATOM 1258 C CZ . PHE A 1 185 ? 55.251 44.196 51.656 1.00 9.91 ? 185 PHE A CZ 1 ATOM 1259 N N . TYR A 1 186 ? 53.397 41.270 57.731 1.00 2.47 ? 186 TYR A N 1 ATOM 1260 C CA . TYR A 1 186 ? 52.512 40.626 58.691 1.00 5.19 ? 186 TYR A CA 1 ATOM 1261 C C . TYR A 1 186 ? 51.374 41.583 59.006 1.00 5.77 ? 186 TYR A C 1 ATOM 1262 O O . TYR A 1 186 ? 51.592 42.653 59.576 1.00 6.02 ? 186 TYR A O 1 ATOM 1263 C CB . TYR A 1 186 ? 53.260 40.257 59.985 1.00 2.24 ? 186 TYR A CB 1 ATOM 1264 C CG . TYR A 1 186 ? 52.603 39.152 60.808 1.00 6.07 ? 186 TYR A CG 1 ATOM 1265 C CD1 . TYR A 1 186 ? 51.517 38.422 60.311 1.00 5.68 ? 186 TYR A CD1 1 ATOM 1266 C CD2 . TYR A 1 186 ? 53.128 38.781 62.050 1.00 7.56 ? 186 TYR A CD2 1 ATOM 1267 C CE1 . TYR A 1 186 ? 50.979 37.341 61.029 1.00 3.70 ? 186 TYR A CE1 1 ATOM 1268 C CE2 . TYR A 1 186 ? 52.596 37.703 62.774 1.00 7.15 ? 186 TYR A CE2 1 ATOM 1269 C CZ . TYR A 1 186 ? 51.529 36.987 62.254 1.00 7.22 ? 186 TYR A CZ 1 ATOM 1270 O OH . TYR A 1 186 ? 51.041 35.893 62.938 1.00 7.73 ? 186 TYR A OH 1 ATOM 1271 N N . THR A 1 187 ? 50.164 41.223 58.589 1.00 3.98 ? 187 THR A N 1 ATOM 1272 C CA . THR A 1 187 ? 48.992 42.041 58.890 1.00 1.25 ? 187 THR A CA 1 ATOM 1273 C C . THR A 1 187 ? 48.560 41.449 60.225 1.00 3.55 ? 187 THR A C 1 ATOM 1274 O O . THR A 1 187 ? 47.991 40.359 60.275 1.00 3.32 ? 187 THR A O 1 ATOM 1275 C CB . THR A 1 187 ? 47.884 41.844 57.852 1.00 1.73 ? 187 THR A CB 1 ATOM 1276 O OG1 . THR A 1 187 ? 48.367 42.246 56.562 1.00 5.20 ? 187 THR A OG1 1 ATOM 1277 C CG2 . THR A 1 187 ? 46.665 42.686 58.212 1.00 5.86 ? 187 THR A CG2 1 ATOM 1278 N N . VAL A 1 188 ? 48.827 42.167 61.307 1.00 2.32 ? 188 VAL A N 1 ATOM 1279 C CA . VAL A 1 188 ? 48.535 41.628 62.621 1.00 3.46 ? 188 VAL A CA 1 ATOM 1280 C C . VAL A 1 188 ? 48.339 42.715 63.664 1.00 3.73 ? 188 VAL A C 1 ATOM 1281 O O . VAL A 1 188 ? 48.752 43.857 63.471 1.00 3.27 ? 188 VAL A O 1 ATOM 1282 C CB . VAL A 1 188 ? 49.700 40.700 63.047 1.00 5.59 ? 188 VAL A CB 1 ATOM 1283 C CG1 . VAL A 1 188 ? 50.990 41.505 63.145 1.00 6.24 ? 188 VAL A CG1 1 ATOM 1284 C CG2 . VAL A 1 188 ? 49.390 40.006 64.369 1.00 5.89 ? 188 VAL A CG2 1 ATOM 1285 N N . GLY A 1 189 ? 47.695 42.356 64.768 1.00 6.58 ? 189 GLY A N 1 ATOM 1286 C CA . GLY A 1 189 ? 47.483 43.321 65.826 1.00 2.54 ? 189 GLY A CA 1 ATOM 1287 C C . GLY A 1 189 ? 48.810 43.712 66.445 1.00 4.29 ? 189 GLY A C 1 ATOM 1288 O O . GLY A 1 189 ? 49.785 42.957 66.384 1.00 5.10 ? 189 GLY A O 1 ATOM 1289 N N . LEU A 1 190 ? 48.857 44.901 67.033 1.00 4.64 ? 190 LEU A N 1 ATOM 1290 C CA . LEU A 1 190 ? 50.074 45.379 67.673 1.00 7.05 ? 190 LEU A CA 1 ATOM 1291 C C . LEU A 1 190 ? 50.482 44.447 68.810 1.00 9.04 ? 190 LEU A C 1 ATOM 1292 O O . LEU A 1 190 ? 49.633 43.859 69.479 1.00 8.63 ? 190 LEU A O 1 ATOM 1293 C CB . LEU A 1 190 ? 49.860 46.781 68.242 1.00 7.72 ? 190 LEU A CB 1 ATOM 1294 C CG . LEU A 1 190 ? 49.543 47.922 67.273 1.00 8.48 ? 190 LEU A CG 1 ATOM 1295 C CD1 . LEU A 1 190 ? 49.248 49.188 68.075 1.00 11.64 ? 190 LEU A CD1 1 ATOM 1296 C CD2 . LEU A 1 190 ? 50.716 48.145 66.324 1.00 11.75 ? 190 LEU A CD2 1 ATOM 1297 N N . GLY A 1 191 ? 51.788 44.313 69.014 1.00 10.70 ? 191 GLY A N 1 ATOM 1298 C CA . GLY A 1 191 ? 52.288 43.482 70.091 1.00 8.63 ? 191 GLY A CA 1 ATOM 1299 C C . GLY A 1 191 ? 52.356 41.989 69.842 1.00 10.64 ? 191 GLY A C 1 ATOM 1300 O O . GLY A 1 191 ? 52.444 41.213 70.797 1.00 11.33 ? 191 GLY A O 1 ATOM 1301 N N . ALA A 1 192 ? 52.315 41.575 68.578 1.00 9.17 ? 192 ALA A N 1 ATOM 1302 C CA . ALA A 1 192 ? 52.402 40.158 68.249 1.00 10.13 ? 192 ALA A CA 1 ATOM 1303 C C . ALA A 1 192 ? 53.739 39.639 68.757 1.00 10.68 ? 192 ALA A C 1 ATOM 1304 O O . ALA A 1 192 ? 54.774 40.256 68.528 1.00 11.39 ? 192 ALA A O 1 ATOM 1305 C CB . ALA A 1 192 ? 52.294 39.961 66.741 1.00 12.34 ? 192 ALA A CB 1 ATOM 1306 N N . SER A 1 193 ? 53.718 38.502 69.442 1.00 8.55 ? 193 SER A N 1 ATOM 1307 C CA . SER A 1 193 ? 54.937 37.922 70.002 1.00 8.83 ? 193 SER A CA 1 ATOM 1308 C C . SER A 1 193 ? 56.036 37.708 68.967 1.00 9.53 ? 193 SER A C 1 ATOM 1309 O O . SER A 1 193 ? 57.218 37.906 69.257 1.00 8.72 ? 193 SER A O 1 ATOM 1310 C CB . SER A 1 193 ? 54.624 36.585 70.686 1.00 13.42 ? 193 SER A CB 1 ATOM 1311 O OG A SER A 1 193 ? 55.784 36.068 71.300 0.50 13.78 ? 193 SER A OG 1 ATOM 1312 O OG B SER A 1 193 ? 54.096 35.652 69.764 0.50 12.96 ? 193 SER A OG 1 ATOM 1313 N N . ALA A 1 194 ? 55.651 37.295 67.763 1.00 7.84 ? 194 ALA A N 1 ATOM 1314 C CA . ALA A 1 194 ? 56.633 37.044 66.717 1.00 7.90 ? 194 ALA A CA 1 ATOM 1315 C C . ALA A 1 194 ? 57.476 38.284 66.449 1.00 7.76 ? 194 ALA A C 1 ATOM 1316 O O . ALA A 1 194 ? 58.700 38.204 66.365 1.00 7.85 ? 194 ALA A O 1 ATOM 1317 C CB . ALA A 1 194 ? 55.939 36.601 65.446 1.00 7.26 ? 194 ALA A CB 1 ATOM 1318 N N . ILE A 1 195 ? 56.821 39.432 66.312 1.00 5.50 ? 195 ILE A N 1 ATOM 1319 C CA . ILE A 1 195 ? 57.548 40.669 66.055 1.00 8.73 ? 195 ILE A CA 1 ATOM 1320 C C . ILE A 1 195 ? 58.337 41.128 67.284 1.00 10.45 ? 195 ILE A C 1 ATOM 1321 O O . ILE A 1 195 ? 59.468 41.603 67.160 1.00 7.96 ? 195 ILE A O 1 ATOM 1322 C CB . ILE A 1 195 ? 56.593 41.782 65.595 1.00 8.22 ? 195 ILE A CB 1 ATOM 1323 C CG1 . ILE A 1 195 ? 55.817 41.302 64.358 1.00 11.06 ? 195 ILE A CG1 1 ATOM 1324 C CG2 . ILE A 1 195 ? 57.388 43.043 65.247 1.00 10.58 ? 195 ILE A CG2 1 ATOM 1325 C CD1 A ILE A 1 195 ? 54.834 42.324 63.798 0.50 7.56 ? 195 ILE A CD1 1 ATOM 1326 C CD1 B ILE A 1 195 ? 56.709 40.932 63.164 0.50 9.33 ? 195 ILE A CD1 1 ATOM 1327 N N . GLN A 1 196 ? 57.751 40.974 68.468 1.00 8.58 ? 196 GLN A N 1 ATOM 1328 C CA . GLN A 1 196 ? 58.435 41.363 69.697 1.00 8.18 ? 196 GLN A CA 1 ATOM 1329 C C . GLN A 1 196 ? 59.715 40.547 69.834 1.00 10.85 ? 196 GLN A C 1 ATOM 1330 O O . GLN A 1 196 ? 60.772 41.084 70.166 1.00 7.14 ? 196 GLN A O 1 ATOM 1331 C CB . GLN A 1 196 ? 57.551 41.112 70.921 1.00 6.91 ? 196 GLN A CB 1 ATOM 1332 C CG . GLN A 1 196 ? 56.244 41.894 70.949 1.00 10.63 ? 196 GLN A CG 1 ATOM 1333 C CD . GLN A 1 196 ? 55.433 41.617 72.206 1.00 12.55 ? 196 GLN A CD 1 ATOM 1334 O OE1 . GLN A 1 196 ? 55.268 40.463 72.612 1.00 14.44 ? 196 GLN A OE1 1 ATOM 1335 N NE2 . GLN A 1 196 ? 54.916 42.673 72.825 1.00 13.57 ? 196 GLN A NE2 1 ATOM 1336 N N . GLN A 1 197 ? 59.601 39.246 69.581 1.00 8.15 ? 197 GLN A N 1 ATOM 1337 C CA . GLN A 1 197 ? 60.730 38.323 69.671 1.00 8.07 ? 197 GLN A CA 1 ATOM 1338 C C . GLN A 1 197 ? 61.855 38.696 68.713 1.00 7.90 ? 197 GLN A C 1 ATOM 1339 O O . GLN A 1 197 ? 63.026 38.683 69.083 1.00 7.37 ? 197 GLN A O 1 ATOM 1340 C CB . GLN A 1 197 ? 60.273 36.897 69.360 1.00 13.24 ? 197 GLN A CB 1 ATOM 1341 C CG . GLN A 1 197 ? 59.470 36.229 70.461 1.00 18.49 ? 197 GLN A CG 1 ATOM 1342 C CD . GLN A 1 197 ? 58.978 34.852 70.052 1.00 26.73 ? 197 GLN A CD 1 ATOM 1343 O OE1 . GLN A 1 197 ? 59.736 34.046 69.509 1.00 30.06 ? 197 GLN A OE1 1 ATOM 1344 N NE2 . GLN A 1 197 ? 57.706 34.572 70.317 1.00 24.35 ? 197 GLN A NE2 1 ATOM 1345 N N . LEU A 1 198 ? 61.491 39.012 67.477 1.00 8.08 ? 198 LEU A N 1 ATOM 1346 C CA . LEU A 1 198 ? 62.471 39.383 66.469 1.00 8.32 ? 198 LEU A CA 1 ATOM 1347 C C . LEU A 1 198 ? 63.180 40.682 66.838 1.00 10.42 ? 198 LEU A C 1 ATOM 1348 O O . LEU A 1 198 ? 64.391 40.813 66.656 1.00 9.51 ? 198 LEU A O 1 ATOM 1349 C CB . LEU A 1 198 ? 61.788 39.540 65.110 1.00 9.74 ? 198 LEU A CB 1 ATOM 1350 C CG . LEU A 1 198 ? 62.657 40.027 63.950 1.00 7.82 ? 198 LEU A CG 1 ATOM 1351 C CD1 . LEU A 1 198 ? 63.744 39.002 63.655 1.00 8.79 ? 198 LEU A CD1 1 ATOM 1352 C CD2 . LEU A 1 198 ? 61.785 40.250 62.728 1.00 8.95 ? 198 LEU A CD2 1 ATOM 1353 N N . ALA A 1 199 ? 62.421 41.638 67.363 1.00 8.35 ? 199 ALA A N 1 ATOM 1354 C CA . ALA A 1 199 ? 62.981 42.932 67.739 1.00 8.82 ? 199 ALA A CA 1 ATOM 1355 C C . ALA A 1 199 ? 64.027 42.821 68.841 1.00 12.14 ? 199 ALA A C 1 ATOM 1356 O O . ALA A 1 199 ? 64.945 43.637 68.917 1.00 9.96 ? 199 ALA A O 1 ATOM 1357 C CB . ALA A 1 199 ? 61.860 43.875 68.174 1.00 8.48 ? 199 ALA A CB 1 ATOM 1358 N N . LEU A 1 200 ? 63.893 41.806 69.690 1.00 9.07 ? 200 LEU A N 1 ATOM 1359 C CA . LEU A 1 200 ? 64.823 41.605 70.798 1.00 10.78 ? 200 LEU A CA 1 ATOM 1360 C C . LEU A 1 200 ? 66.148 40.965 70.403 1.00 11.31 ? 200 LEU A C 1 ATOM 1361 O O . LEU A 1 200 ? 67.145 41.109 71.111 1.00 12.94 ? 200 LEU A O 1 ATOM 1362 C CB . LEU A 1 200 ? 64.170 40.743 71.881 1.00 12.99 ? 200 LEU A CB 1 ATOM 1363 C CG . LEU A 1 200 ? 62.990 41.348 72.644 1.00 14.38 ? 200 LEU A CG 1 ATOM 1364 C CD1 . LEU A 1 200 ? 62.334 40.273 73.501 1.00 21.16 ? 200 LEU A CD1 1 ATOM 1365 C CD2 . LEU A 1 200 ? 63.473 42.505 73.507 1.00 16.23 ? 200 LEU A CD2 1 ATOM 1366 N N . THR A 1 201 ? 66.165 40.270 69.271 1.00 8.44 ? 201 THR A N 1 ATOM 1367 C CA . THR A 1 201 ? 67.373 39.578 68.834 1.00 9.63 ? 201 THR A CA 1 ATOM 1368 C C . THR A 1 201 ? 68.049 40.148 67.599 1.00 12.09 ? 201 THR A C 1 ATOM 1369 O O . THR A 1 201 ? 69.247 39.951 67.396 1.00 11.43 ? 201 THR A O 1 ATOM 1370 C CB . THR A 1 201 ? 67.067 38.104 68.505 1.00 14.36 ? 201 THR A CB 1 ATOM 1371 O OG1 . THR A 1 201 ? 66.185 38.049 67.374 1.00 11.69 ? 201 THR A OG1 1 ATOM 1372 C CG2 . THR A 1 201 ? 66.413 37.407 69.691 1.00 11.66 ? 201 THR A CG2 1 ATOM 1373 N N . THR A 1 202 ? 67.287 40.867 66.786 1.00 9.26 ? 202 THR A N 1 ATOM 1374 C CA . THR A 1 202 ? 67.806 41.372 65.525 1.00 8.82 ? 202 THR A CA 1 ATOM 1375 C C . THR A 1 202 ? 67.559 42.847 65.253 1.00 7.57 ? 202 THR A C 1 ATOM 1376 O O . THR A 1 202 ? 66.509 43.383 65.604 1.00 7.93 ? 202 THR A O 1 ATOM 1377 C CB . THR A 1 202 ? 67.177 40.560 64.379 1.00 7.96 ? 202 THR A CB 1 ATOM 1378 O OG1 . THR A 1 202 ? 67.211 39.169 64.722 1.00 11.82 ? 202 THR A OG1 1 ATOM 1379 C CG2 . THR A 1 202 ? 67.919 40.782 63.074 1.00 13.51 ? 202 THR A CG2 1 ATOM 1380 N N . PRO A 1 203 ? 68.537 43.526 64.627 1.00 12.83 ? 203 PRO A N 1 ATOM 1381 C CA . PRO A 1 203 ? 68.396 44.949 64.306 1.00 15.59 ? 203 PRO A CA 1 ATOM 1382 C C . PRO A 1 203 ? 67.389 45.077 63.167 1.00 13.72 ? 203 PRO A C 1 ATOM 1383 O O . PRO A 1 203 ? 67.698 44.762 62.018 1.00 13.79 ? 203 PRO A O 1 ATOM 1384 C CB . PRO A 1 203 ? 69.804 45.350 63.865 1.00 15.87 ? 203 PRO A CB 1 ATOM 1385 C CG . PRO A 1 203 ? 70.683 44.395 64.604 1.00 18.23 ? 203 PRO A CG 1 ATOM 1386 C CD . PRO A 1 203 ? 69.934 43.094 64.449 1.00 17.19 ? 203 PRO A CD 1 ATOM 1387 N N . ILE A 1 204 ? 66.183 45.525 63.485 1.00 13.79 ? 204 ILE A N 1 ATOM 1388 C CA . ILE A 1 204 ? 65.157 45.667 62.465 1.00 13.01 ? 204 ILE A CA 1 ATOM 1389 C C . ILE A 1 204 ? 64.549 47.054 62.467 1.00 13.75 ? 204 ILE A C 1 ATOM 1390 O O . ILE A 1 204 ? 64.701 47.824 63.420 1.00 12.78 ? 204 ILE A O 1 ATOM 1391 C CB . ILE A 1 204 ? 64.004 44.662 62.670 1.00 13.84 ? 204 ILE A CB 1 ATOM 1392 C CG1 . ILE A 1 204 ? 63.319 44.938 64.013 1.00 20.72 ? 204 ILE A CG1 1 ATOM 1393 C CG2 . ILE A 1 204 ? 64.534 43.236 62.594 1.00 18.10 ? 204 ILE A CG2 1 ATOM 1394 C CD1 . ILE A 1 204 ? 62.021 44.187 64.217 1.00 18.77 ? 204 ILE A CD1 1 ATOM 1395 N N . ALA A 1 205 ? 63.855 47.361 61.381 1.00 9.96 ? 205 ALA A N 1 ATOM 1396 C CA . ALA A 1 205 ? 63.181 48.633 61.231 1.00 9.18 ? 205 ALA A CA 1 ATOM 1397 C C . ALA A 1 205 ? 61.832 48.345 60.592 1.00 10.64 ? 205 ALA A C 1 ATOM 1398 O O . ALA A 1 205 ? 61.663 47.333 59.908 1.00 11.53 ? 205 ALA A O 1 ATOM 1399 C CB . ALA A 1 205 ? 63.998 49.562 60.340 1.00 12.72 ? 205 ALA A CB 1 ATOM 1400 N N . LEU A 1 206 ? 60.867 49.223 60.832 1.00 7.40 ? 206 LEU A N 1 ATOM 1401 C CA . LEU A 1 206 ? 59.552 49.063 60.237 1.00 7.05 ? 206 LEU A CA 1 ATOM 1402 C C . LEU A 1 206 ? 59.428 50.037 59.075 1.00 7.99 ? 206 LEU A C 1 ATOM 1403 O O . LEU A 1 206 ? 59.673 51.236 59.225 1.00 10.57 ? 206 LEU A O 1 ATOM 1404 C CB . LEU A 1 206 ? 58.455 49.327 61.270 1.00 4.87 ? 206 LEU A CB 1 ATOM 1405 C CG . LEU A 1 206 ? 58.354 48.293 62.396 1.00 7.45 ? 206 LEU A CG 1 ATOM 1406 C CD1 . LEU A 1 206 ? 57.154 48.626 63.274 1.00 8.38 ? 206 LEU A CD1 1 ATOM 1407 C CD2 . LEU A 1 206 ? 58.210 46.888 61.808 1.00 10.87 ? 206 LEU A CD2 1 ATOM 1408 N N . VAL A 1 207 ? 59.054 49.504 57.918 1.00 7.39 ? 207 VAL A N 1 ATOM 1409 C CA . VAL A 1 207 ? 58.893 50.289 56.703 1.00 8.21 ? 207 VAL A CA 1 ATOM 1410 C C . VAL A 1 207 ? 57.497 50.896 56.643 1.00 7.22 ? 207 VAL A C 1 ATOM 1411 O O . VAL A 1 207 ? 56.512 50.260 57.017 1.00 8.34 ? 207 VAL A O 1 ATOM 1412 C CB . VAL A 1 207 ? 59.121 49.401 55.458 1.00 6.49 ? 207 VAL A CB 1 ATOM 1413 C CG1 . VAL A 1 207 ? 59.000 50.227 54.183 1.00 6.02 ? 207 VAL A CG1 1 ATOM 1414 C CG2 . VAL A 1 207 ? 60.492 48.750 55.543 1.00 10.50 ? 207 VAL A CG2 1 ATOM 1415 N N . ALA A 1 208 ? 57.415 52.131 56.167 1.00 7.00 ? 208 ALA A N 1 ATOM 1416 C CA . ALA A 1 208 ? 56.134 52.808 56.073 1.00 8.12 ? 208 ALA A CA 1 ATOM 1417 C C . ALA A 1 208 ? 55.335 52.352 54.863 1.00 9.08 ? 208 ALA A C 1 ATOM 1418 O O . ALA A 1 208 ? 55.886 51.851 53.888 1.00 9.94 ? 208 ALA A O 1 ATOM 1419 C CB . ALA A 1 208 ? 56.350 54.318 56.009 1.00 10.06 ? 208 ALA A CB 1 ATOM 1420 N N . VAL A 1 209 ? 54.020 52.512 54.956 1.00 9.38 ? 209 VAL A N 1 ATOM 1421 C CA . VAL A 1 209 ? 53.116 52.183 53.868 1.00 7.38 ? 209 VAL A CA 1 ATOM 1422 C C . VAL A 1 209 ? 52.270 53.441 53.733 1.00 12.71 ? 209 VAL A C 1 ATOM 1423 O O . VAL A 1 209 ? 51.498 53.787 54.629 1.00 9.39 ? 209 VAL A O 1 ATOM 1424 C CB . VAL A 1 209 ? 52.232 50.967 54.196 1.00 6.92 ? 209 VAL A CB 1 ATOM 1425 C CG1 . VAL A 1 209 ? 51.267 50.702 53.047 1.00 8.21 ? 209 VAL A CG1 1 ATOM 1426 C CG2 . VAL A 1 209 ? 53.109 49.745 54.432 1.00 5.58 ? 209 VAL A CG2 1 ATOM 1427 N N . ASP A 1 210 ? 52.452 54.138 52.619 1.00 12.52 ? 210 ASP A N 1 ATOM 1428 C CA . ASP A 1 210 ? 51.755 55.391 52.351 1.00 14.33 ? 210 ASP A CA 1 ATOM 1429 C C . ASP A 1 210 ? 50.277 55.194 52.027 1.00 16.84 ? 210 ASP A C 1 ATOM 1430 O O . ASP A 1 210 ? 49.929 54.545 51.042 1.00 15.62 ? 210 ASP A O 1 ATOM 1431 C CB . ASP A 1 210 ? 52.462 56.115 51.201 1.00 17.80 ? 210 ASP A CB 1 ATOM 1432 C CG . ASP A 1 210 ? 52.032 57.560 51.063 1.00 29.14 ? 210 ASP A CG 1 ATOM 1433 O OD1 . ASP A 1 210 ? 52.923 58.433 50.980 1.00 35.29 ? 210 ASP A OD1 1 ATOM 1434 O OD2 . ASP A 1 210 ? 50.812 57.825 51.032 1.00 32.81 ? 210 ASP A OD2 1 ATOM 1435 N N . LEU A 1 211 ? 49.412 55.766 52.861 1.00 18.30 ? 211 LEU A N 1 ATOM 1436 C CA . LEU A 1 211 ? 47.974 55.648 52.663 1.00 19.94 ? 211 LEU A CA 1 ATOM 1437 C C . LEU A 1 211 ? 47.538 56.258 51.335 1.00 18.21 ? 211 LEU A C 1 ATOM 1438 O O . LEU A 1 211 ? 46.670 55.716 50.660 1.00 21.86 ? 211 LEU A O 1 ATOM 1439 C CB . LEU A 1 211 ? 47.215 56.324 53.809 1.00 26.80 ? 211 LEU A CB 1 ATOM 1440 C CG . LEU A 1 211 ? 45.687 56.284 53.678 1.00 27.81 ? 211 LEU A CG 1 ATOM 1441 C CD1 . LEU A 1 211 ? 45.212 54.839 53.598 1.00 30.97 ? 211 LEU A CD1 1 ATOM 1442 C CD2 . LEU A 1 211 ? 45.051 56.991 54.858 1.00 32.64 ? 211 LEU A CD2 1 ATOM 1443 N N . ASN A 1 212 ? 48.144 57.383 50.966 1.00 21.43 ? 212 ASN A N 1 ATOM 1444 C CA . ASN A 1 212 ? 47.808 58.053 49.713 1.00 23.20 ? 212 ASN A CA 1 ATOM 1445 C C . ASN A 1 212 ? 48.046 57.151 48.504 1.00 24.42 ? 212 ASN A C 1 ATOM 1446 O O . ASN A 1 212 ? 47.219 57.105 47.591 1.00 21.41 ? 212 ASN A O 1 ATOM 1447 C CB . ASN A 1 212 ? 48.609 59.351 49.574 1.00 28.84 ? 212 ASN A CB 1 ATOM 1448 C CG . ASN A 1 212 ? 48.221 60.385 50.615 1.00 35.60 ? 212 ASN A CG 1 ATOM 1449 O OD1 . ASN A 1 212 ? 47.044 60.713 50.769 1.00 41.22 ? 212 ASN A OD1 1 ATOM 1450 N ND2 . ASN A 1 212 ? 49.209 60.908 51.333 1.00 37.99 ? 212 ASN A ND2 1 ATOM 1451 N N . ARG A 1 213 ? 49.174 56.442 48.492 1.00 21.97 ? 213 ARG A N 1 ATOM 1452 C CA . ARG A 1 213 ? 49.476 55.525 47.396 1.00 23.47 ? 213 ARG A CA 1 ATOM 1453 C C . ARG A 1 213 ? 48.419 54.430 47.417 1.00 25.80 ? 213 ARG A C 1 ATOM 1454 O O . ARG A 1 213 ? 48.008 53.921 46.374 1.00 25.45 ? 213 ARG A O 1 ATOM 1455 C CB . ARG A 1 213 ? 50.861 54.894 47.569 1.00 28.50 ? 213 ARG A CB 1 ATOM 1456 C CG . ARG A 1 213 ? 52.022 55.722 47.042 1.00 30.54 ? 213 ARG A CG 1 ATOM 1457 C CD . ARG A 1 213 ? 53.337 54.978 47.250 1.00 35.42 ? 213 ARG A CD 1 ATOM 1458 N NE . ARG A 1 213 ? 54.499 55.725 46.775 1.00 40.35 ? 213 ARG A NE 1 ATOM 1459 C CZ . ARG A 1 213 ? 54.797 55.918 45.494 1.00 43.10 ? 213 ARG A CZ 1 ATOM 1460 N NH1 . ARG A 1 213 ? 54.017 55.416 44.544 1.00 45.23 ? 213 ARG A NH1 1 ATOM 1461 N NH2 . ARG A 1 213 ? 55.877 56.613 45.161 1.00 46.34 ? 213 ARG A NH2 1 ATOM 1462 N N . ILE A 1 214 ? 47.991 54.073 48.624 1.00 24.22 ? 214 ILE A N 1 ATOM 1463 C CA . ILE A 1 214 ? 46.966 53.057 48.814 1.00 29.08 ? 214 ILE A CA 1 ATOM 1464 C C . ILE A 1 214 ? 45.627 53.634 48.365 1.00 30.78 ? 214 ILE A C 1 ATOM 1465 O O . ILE A 1 214 ? 44.822 52.949 47.739 1.00 33.49 ? 214 ILE A O 1 ATOM 1466 C CB . ILE A 1 214 ? 46.860 52.646 50.298 1.00 28.32 ? 214 ILE A CB 1 ATOM 1467 C CG1 . ILE A 1 214 ? 48.179 52.024 50.762 1.00 29.17 ? 214 ILE A CG1 1 ATOM 1468 C CG2 . ILE A 1 214 ? 45.699 51.681 50.493 1.00 27.93 ? 214 ILE A CG2 1 ATOM 1469 C CD1 . ILE A 1 214 ? 48.604 50.807 49.966 1.00 27.09 ? 214 ILE A CD1 1 ATOM 1470 N N . GLN A 1 215 ? 45.403 54.903 48.693 1.00 35.72 ? 215 GLN A N 1 ATOM 1471 C CA . GLN A 1 215 ? 44.174 55.599 48.331 1.00 37.66 ? 215 GLN A CA 1 ATOM 1472 C C . GLN A 1 215 ? 43.983 55.621 46.819 1.00 37.56 ? 215 GLN A C 1 ATOM 1473 O O . GLN A 1 215 ? 42.861 55.750 46.329 1.00 39.31 ? 215 GLN A O 1 ATOM 1474 C CB . GLN A 1 215 ? 44.206 57.035 48.863 1.00 40.71 ? 215 GLN A CB 1 ATOM 1475 C CG . GLN A 1 215 ? 44.098 57.146 50.377 1.00 44.97 ? 215 GLN A CG 1 ATOM 1476 C CD . GLN A 1 215 ? 44.407 58.544 50.884 1.00 48.70 ? 215 GLN A CD 1 ATOM 1477 O OE1 . GLN A 1 215 ? 44.295 58.824 52.079 1.00 51.56 ? 215 GLN A OE1 1 ATOM 1478 N NE2 . GLN A 1 215 ? 44.805 59.429 49.976 1.00 47.51 ? 215 GLN A NE2 1 ATOM 1479 N N . ALA A 1 216 ? 45.083 55.499 46.082 1.00 36.59 ? 216 ALA A N 1 ATOM 1480 C CA . ALA A 1 216 ? 45.029 55.500 44.627 1.00 38.39 ? 216 ALA A CA 1 ATOM 1481 C C . ALA A 1 216 ? 44.333 54.237 44.129 1.00 40.43 ? 216 ALA A C 1 ATOM 1482 O O . ALA A 1 216 ? 43.945 54.149 42.963 1.00 41.76 ? 216 ALA A O 1 ATOM 1483 C CB . ALA A 1 216 ? 46.437 55.586 44.051 1.00 37.50 ? 216 ALA A CB 1 ATOM 1484 N N . ILE A 1 217 ? 44.180 53.263 45.022 1.00 40.27 ? 217 ILE A N 1 ATOM 1485 C CA . ILE A 1 217 ? 43.528 51.999 44.689 1.00 39.78 ? 217 ILE A CA 1 ATOM 1486 C C . ILE A 1 217 ? 42.479 51.646 45.741 1.00 37.57 ? 217 ILE A C 1 ATOM 1487 O O . ILE A 1 217 ? 42.100 50.482 45.892 1.00 36.65 ? 217 ILE A O 1 ATOM 1488 C CB . ILE A 1 217 ? 44.551 50.844 44.611 1.00 41.13 ? 217 ILE A CB 1 ATOM 1489 C CG1 . ILE A 1 217 ? 45.215 50.640 45.977 1.00 43.12 ? 217 ILE A CG1 1 ATOM 1490 C CG2 . ILE A 1 217 ? 45.599 51.152 43.552 1.00 44.54 ? 217 ILE A CG2 1 ATOM 1491 C CD1 . ILE A 1 217 ? 46.187 49.480 46.024 1.00 41.97 ? 217 ILE A CD1 1 ATOM 1492 N N . ALA A 1 218 ? 42.011 52.660 46.461 1.00 37.11 ? 218 ALA A N 1 ATOM 1493 C CA . ALA A 1 218 ? 41.016 52.471 47.510 1.00 35.60 ? 218 ALA A CA 1 ATOM 1494 C C . ALA A 1 218 ? 39.662 52.023 46.964 1.00 37.17 ? 218 ALA A C 1 ATOM 1495 O O . ALA A 1 218 ? 38.835 51.486 47.702 1.00 35.40 ? 218 ALA A O 1 ATOM 1496 C CB . ALA A 1 218 ? 40.858 53.761 48.310 1.00 37.40 ? 218 ALA A CB 1 ATOM 1497 N N . LYS A 1 219 ? 39.434 52.243 45.674 1.00 38.67 ? 219 LYS A N 1 ATOM 1498 C CA . LYS A 1 219 ? 38.173 51.848 45.062 1.00 39.50 ? 219 LYS A CA 1 ATOM 1499 C C . LYS A 1 219 ? 38.097 50.340 44.866 1.00 39.30 ? 219 LYS A C 1 ATOM 1500 O O . LYS A 1 219 ? 37.008 49.768 44.805 1.00 42.09 ? 219 LYS A O 1 ATOM 1501 C CB . LYS A 1 219 ? 37.990 52.585 43.738 1.00 44.17 ? 219 LYS A CB 1 ATOM 1502 C CG . LYS A 1 219 ? 37.648 54.049 43.949 1.00 47.83 ? 219 LYS A CG 1 ATOM 1503 C CD . LYS A 1 219 ? 38.197 54.921 42.850 1.00 50.01 ? 219 LYS A CD 1 ATOM 1504 C CE . LYS A 1 219 ? 37.838 56.383 43.073 1.00 52.04 ? 219 LYS A CE 1 ATOM 1505 N NZ . LYS A 1 219 ? 38.280 57.262 41.951 1.00 54.20 ? 219 LYS A NZ 1 ATOM 1506 N N . LYS A 1 220 ? 39.257 49.698 44.774 1.00 36.44 ? 220 LYS A N 1 ATOM 1507 C CA . LYS A 1 220 ? 39.307 48.249 44.619 1.00 33.90 ? 220 LYS A CA 1 ATOM 1508 C C . LYS A 1 220 ? 39.355 47.630 46.012 1.00 28.17 ? 220 LYS A C 1 ATOM 1509 O O . LYS A 1 220 ? 38.733 46.598 46.273 1.00 30.61 ? 220 LYS A O 1 ATOM 1510 C CB . LYS A 1 220 ? 40.556 47.828 43.834 1.00 33.12 ? 220 LYS A CB 1 ATOM 1511 C CG . LYS A 1 220 ? 40.571 48.270 42.378 1.00 37.50 ? 220 LYS A CG 1 ATOM 1512 C CD . LYS A 1 220 ? 41.815 47.771 41.649 1.00 38.55 ? 220 LYS A CD 1 ATOM 1513 C CE . LYS A 1 220 ? 41.870 46.249 41.605 1.00 42.14 ? 220 LYS A CE 1 ATOM 1514 N NZ . LYS A 1 220 ? 43.053 45.751 40.847 1.00 45.63 ? 220 LYS A NZ 1 ATOM 1515 N N . TYR A 1 221 ? 40.090 48.288 46.903 1.00 28.28 ? 221 TYR A N 1 ATOM 1516 C CA . TYR A 1 221 ? 40.272 47.831 48.278 1.00 27.33 ? 221 TYR A CA 1 ATOM 1517 C C . TYR A 1 221 ? 39.998 49.014 49.206 1.00 25.33 ? 221 TYR A C 1 ATOM 1518 O O . TYR A 1 221 ? 40.904 49.766 49.563 1.00 27.52 ? 221 TYR A O 1 ATOM 1519 C CB . TYR A 1 221 ? 41.704 47.319 48.431 1.00 28.63 ? 221 TYR A CB 1 ATOM 1520 C CG . TYR A 1 221 ? 42.130 46.471 47.249 1.00 24.92 ? 221 TYR A CG 1 ATOM 1521 C CD1 . TYR A 1 221 ? 41.436 45.307 46.919 1.00 29.30 ? 221 TYR A CD1 1 ATOM 1522 C CD2 . TYR A 1 221 ? 43.185 46.863 46.423 1.00 28.99 ? 221 TYR A CD2 1 ATOM 1523 C CE1 . TYR A 1 221 ? 41.774 44.556 45.795 1.00 29.62 ? 221 TYR A CE1 1 ATOM 1524 C CE2 . TYR A 1 221 ? 43.533 46.118 45.296 1.00 29.84 ? 221 TYR A CE2 1 ATOM 1525 C CZ . TYR A 1 221 ? 42.821 44.968 44.987 1.00 30.13 ? 221 TYR A CZ 1 ATOM 1526 O OH . TYR A 1 221 ? 43.142 44.244 43.861 1.00 30.47 ? 221 TYR A OH 1 ATOM 1527 N N . PRO A 1 222 ? 38.728 49.188 49.603 1.00 23.69 ? 222 PRO A N 1 ATOM 1528 C CA . PRO A 1 222 ? 38.246 50.261 50.477 1.00 20.16 ? 222 PRO A CA 1 ATOM 1529 C C . PRO A 1 222 ? 38.366 50.078 51.987 1.00 17.16 ? 222 PRO A C 1 ATOM 1530 O O . PRO A 1 222 ? 37.994 50.976 52.742 1.00 17.02 ? 222 PRO A O 1 ATOM 1531 C CB . PRO A 1 222 ? 36.792 50.391 50.055 1.00 23.43 ? 222 PRO A CB 1 ATOM 1532 C CG . PRO A 1 222 ? 36.411 48.954 49.860 1.00 25.79 ? 222 PRO A CG 1 ATOM 1533 C CD . PRO A 1 222 ? 37.596 48.394 49.087 1.00 23.07 ? 222 PRO A CD 1 ATOM 1534 N N . PHE A 1 223 ? 38.882 48.940 52.436 1.00 11.92 ? 223 PHE A N 1 ATOM 1535 C CA . PHE A 1 223 ? 38.974 48.689 53.869 1.00 10.66 ? 223 PHE A CA 1 ATOM 1536 C C . PHE A 1 223 ? 40.211 49.206 54.588 1.00 8.46 ? 223 PHE A C 1 ATOM 1537 O O . PHE A 1 223 ? 40.263 49.177 55.818 1.00 9.61 ? 223 PHE A O 1 ATOM 1538 C CB . PHE A 1 223 ? 38.817 47.194 54.148 1.00 11.99 ? 223 PHE A CB 1 ATOM 1539 C CG . PHE A 1 223 ? 37.487 46.644 53.738 1.00 13.41 ? 223 PHE A CG 1 ATOM 1540 C CD1 . PHE A 1 223 ? 37.299 46.114 52.466 1.00 15.38 ? 223 PHE A CD1 1 ATOM 1541 C CD2 . PHE A 1 223 ? 36.410 46.683 54.616 1.00 14.34 ? 223 PHE A CD2 1 ATOM 1542 C CE1 . PHE A 1 223 ? 36.053 45.627 52.075 1.00 17.86 ? 223 PHE A CE1 1 ATOM 1543 C CE2 . PHE A 1 223 ? 35.161 46.200 54.234 1.00 20.35 ? 223 PHE A CE2 1 ATOM 1544 C CZ . PHE A 1 223 ? 34.984 45.673 52.962 1.00 16.56 ? 223 PHE A CZ 1 ATOM 1545 N N . TYR A 1 224 ? 41.205 49.674 53.842 1.00 8.53 ? 224 TYR A N 1 ATOM 1546 C CA . TYR A 1 224 ? 42.411 50.191 54.478 1.00 8.92 ? 224 TYR A CA 1 ATOM 1547 C C . TYR A 1 224 ? 42.167 51.541 55.139 1.00 10.24 ? 224 TYR A C 1 ATOM 1548 O O . TYR A 1 224 ? 41.505 52.411 54.573 1.00 8.85 ? 224 TYR A O 1 ATOM 1549 C CB . TYR A 1 224 ? 43.543 50.361 53.465 1.00 8.16 ? 224 TYR A CB 1 ATOM 1550 C CG . TYR A 1 224 ? 44.108 49.076 52.918 1.00 7.95 ? 224 TYR A CG 1 ATOM 1551 C CD1 . TYR A 1 224 ? 43.899 48.715 51.591 1.00 9.62 ? 224 TYR A CD1 1 ATOM 1552 C CD2 . TYR A 1 224 ? 44.878 48.231 53.722 1.00 7.59 ? 224 TYR A CD2 1 ATOM 1553 C CE1 . TYR A 1 224 ? 44.440 47.549 51.071 1.00 10.09 ? 224 TYR A CE1 1 ATOM 1554 C CE2 . TYR A 1 224 ? 45.425 47.060 53.211 1.00 8.52 ? 224 TYR A CE2 1 ATOM 1555 C CZ . TYR A 1 224 ? 45.203 46.726 51.886 1.00 5.53 ? 224 TYR A CZ 1 ATOM 1556 O OH . TYR A 1 224 ? 45.735 45.570 51.368 1.00 7.29 ? 224 TYR A OH 1 ATOM 1557 N N . VAL A 1 225 ? 42.703 51.705 56.342 1.00 8.83 ? 225 VAL A N 1 ATOM 1558 C CA . VAL A 1 225 ? 42.594 52.962 57.067 1.00 8.54 ? 225 VAL A CA 1 ATOM 1559 C C . VAL A 1 225 ? 44.001 53.314 57.532 1.00 11.02 ? 225 VAL A C 1 ATOM 1560 O O . VAL A 1 225 ? 44.843 52.429 57.691 1.00 8.34 ? 225 VAL A O 1 ATOM 1561 C CB . VAL A 1 225 ? 41.642 52.857 58.288 1.00 9.19 ? 225 VAL A CB 1 ATOM 1562 C CG1 . VAL A 1 225 ? 40.246 52.476 57.817 1.00 8.81 ? 225 VAL A CG1 1 ATOM 1563 C CG2 . VAL A 1 225 ? 42.168 51.838 59.295 1.00 9.71 ? 225 VAL A CG2 1 ATOM 1564 N N . GLY A 1 226 ? 44.268 54.602 57.720 1.00 8.04 ? 226 GLY A N 1 ATOM 1565 C CA . GLY A 1 226 ? 45.587 55.011 58.167 1.00 5.57 ? 226 GLY A CA 1 ATOM 1566 C C . GLY A 1 226 ? 45.817 54.586 59.604 1.00 9.76 ? 226 GLY A C 1 ATOM 1567 O O . GLY A 1 226 ? 44.890 54.605 60.412 1.00 11.22 ? 226 GLY A O 1 ATOM 1568 N N . PHE A 1 227 ? 47.045 54.193 59.928 1.00 6.74 ? 227 PHE A N 1 ATOM 1569 C CA . PHE A 1 227 ? 47.366 53.773 61.285 1.00 9.86 ? 227 PHE A CA 1 ATOM 1570 C C . PHE A 1 227 ? 48.833 54.041 61.600 1.00 11.62 ? 227 PHE A C 1 ATOM 1571 O O . PHE A 1 227 ? 49.716 53.723 60.801 1.00 12.81 ? 227 PHE A O 1 ATOM 1572 C CB . PHE A 1 227 ? 47.054 52.280 61.464 1.00 7.61 ? 227 PHE A CB 1 ATOM 1573 C CG . PHE A 1 227 ? 47.072 51.827 62.895 1.00 14.02 ? 227 PHE A CG 1 ATOM 1574 C CD1 . PHE A 1 227 ? 48.277 51.606 63.553 1.00 12.38 ? 227 PHE A CD1 1 ATOM 1575 C CD2 . PHE A 1 227 ? 45.882 51.659 63.599 1.00 13.60 ? 227 PHE A CD2 1 ATOM 1576 C CE1 . PHE A 1 227 ? 48.302 51.227 64.891 1.00 13.68 ? 227 PHE A CE1 1 ATOM 1577 C CE2 . PHE A 1 227 ? 45.895 51.280 64.942 1.00 17.29 ? 227 PHE A CE2 1 ATOM 1578 C CZ . PHE A 1 227 ? 47.107 51.064 65.588 1.00 14.72 ? 227 PHE A CZ 1 ATOM 1579 N N A ASN A 1 228 ? 49.072 54.618 62.771 0.50 11.47 ? 228 ASN A N 1 ATOM 1580 N N B ASN A 1 228 ? 49.106 54.640 62.756 0.50 11.82 ? 228 ASN A N 1 ATOM 1581 C CA A ASN A 1 228 ? 50.420 54.922 63.220 0.50 13.88 ? 228 ASN A CA 1 ATOM 1582 C CA B ASN A 1 228 ? 50.487 54.932 63.130 0.50 14.30 ? 228 ASN A CA 1 ATOM 1583 C C A ASN A 1 228 ? 50.859 53.978 64.322 0.50 13.81 ? 228 ASN A C 1 ATOM 1584 C C B ASN A 1 228 ? 50.923 54.070 64.305 0.50 13.42 ? 228 ASN A C 1 ATOM 1585 O O A ASN A 1 228 ? 50.235 53.923 65.381 0.50 15.47 ? 228 ASN A O 1 ATOM 1586 O O B ASN A 1 228 ? 50.364 54.168 65.395 0.50 16.52 ? 228 ASN A O 1 ATOM 1587 C CB A ASN A 1 228 ? 50.503 56.355 63.752 0.50 18.63 ? 228 ASN A CB 1 ATOM 1588 C CB B ASN A 1 228 ? 50.640 56.408 63.487 0.50 20.10 ? 228 ASN A CB 1 ATOM 1589 C CG A ASN A 1 228 ? 50.440 57.388 62.656 0.50 19.49 ? 228 ASN A CG 1 ATOM 1590 C CG B ASN A 1 228 ? 52.065 56.886 63.357 0.50 21.33 ? 228 ASN A CG 1 ATOM 1591 O OD1 A ASN A 1 228 ? 51.268 57.393 61.745 0.50 22.79 ? 228 ASN A OD1 1 ATOM 1592 O OD1 B ASN A 1 228 ? 52.926 56.543 64.165 0.50 29.44 ? 228 ASN A OD1 1 ATOM 1593 N ND2 A ASN A 1 228 ? 49.461 58.280 62.739 0.50 24.07 ? 228 ASN A ND2 1 ATOM 1594 N ND2 B ASN A 1 228 ? 52.328 57.669 62.320 0.50 24.48 ? 228 ASN A ND2 1 ATOM 1595 N N . ILE A 1 229 ? 51.922 53.222 64.072 1.00 8.92 ? 229 ILE A N 1 ATOM 1596 C CA . ILE A 1 229 ? 52.438 52.324 65.098 1.00 9.65 ? 229 ILE A CA 1 ATOM 1597 C C . ILE A 1 229 ? 53.271 53.216 66.008 1.00 12.05 ? 229 ILE A C 1 ATOM 1598 O O . ILE A 1 229 ? 54.287 53.768 65.584 1.00 10.63 ? 229 ILE A O 1 ATOM 1599 C CB . ILE A 1 229 ? 53.338 51.223 64.501 1.00 8.72 ? 229 ILE A CB 1 ATOM 1600 C CG1 . ILE A 1 229 ? 52.519 50.353 63.546 1.00 7.68 ? 229 ILE A CG1 1 ATOM 1601 C CG2 . ILE A 1 229 ? 53.934 50.361 65.622 1.00 8.72 ? 229 ILE A CG2 1 ATOM 1602 C CD1 . ILE A 1 229 ? 53.327 49.301 62.839 1.00 10.26 ? 229 ILE A CD1 1 ATOM 1603 N N . PRO A 1 230 ? 52.840 53.388 67.267 1.00 12.37 ? 230 PRO A N 1 ATOM 1604 C CA . PRO A 1 230 ? 53.566 54.230 68.223 1.00 12.34 ? 230 PRO A CA 1 ATOM 1605 C C . PRO A 1 230 ? 55.029 53.831 68.369 1.00 8.87 ? 230 PRO A C 1 ATOM 1606 O O . PRO A 1 230 ? 55.365 52.648 68.342 1.00 10.55 ? 230 PRO A O 1 ATOM 1607 C CB . PRO A 1 230 ? 52.786 54.026 69.520 1.00 13.83 ? 230 PRO A CB 1 ATOM 1608 C CG . PRO A 1 230 ? 51.392 53.779 69.035 1.00 15.54 ? 230 PRO A CG 1 ATOM 1609 C CD . PRO A 1 230 ? 51.621 52.834 67.881 1.00 14.86 ? 230 PRO A CD 1 ATOM 1610 N N . GLY A 1 231 ? 55.900 54.821 68.519 1.00 10.13 ? 231 GLY A N 1 ATOM 1611 C CA . GLY A 1 231 ? 57.306 54.515 68.696 1.00 11.31 ? 231 GLY A CA 1 ATOM 1612 C C . GLY A 1 231 ? 57.465 53.790 70.021 1.00 11.26 ? 231 GLY A C 1 ATOM 1613 O O . GLY A 1 231 ? 56.762 54.094 70.984 1.00 13.33 ? 231 GLY A O 1 ATOM 1614 N N . GLY A 1 232 ? 58.371 52.822 70.077 1.00 10.61 ? 232 GLY A N 1 ATOM 1615 C CA . GLY A 1 232 ? 58.572 52.093 71.315 1.00 12.57 ? 232 GLY A CA 1 ATOM 1616 C C . GLY A 1 232 ? 57.706 50.853 71.447 1.00 14.38 ? 232 GLY A C 1 ATOM 1617 O O . GLY A 1 232 ? 57.777 50.151 72.456 1.00 13.56 ? 232 GLY A O 1 ATOM 1618 N N . THR A 1 233 ? 56.881 50.576 70.443 1.00 11.51 ? 233 THR A N 1 ATOM 1619 C CA . THR A 1 233 ? 56.028 49.390 70.489 1.00 11.49 ? 233 THR A CA 1 ATOM 1620 C C . THR A 1 233 ? 56.905 48.140 70.463 1.00 12.60 ? 233 THR A C 1 ATOM 1621 O O . THR A 1 233 ? 56.628 47.157 71.153 1.00 14.99 ? 233 THR A O 1 ATOM 1622 C CB . THR A 1 233 ? 55.053 49.352 69.296 1.00 9.25 ? 233 THR A CB 1 ATOM 1623 O OG1 . THR A 1 233 ? 54.192 50.496 69.351 1.00 12.72 ? 233 THR A OG1 1 ATOM 1624 C CG2 . THR A 1 233 ? 54.208 48.078 69.335 1.00 8.26 ? 233 THR A CG2 1 ATOM 1625 N N . TYR A 1 234 ? 57.966 48.186 69.664 1.00 9.29 ? 234 TYR A N 1 ATOM 1626 C CA . TYR A 1 234 ? 58.893 47.067 69.559 1.00 9.63 ? 234 TYR A CA 1 ATOM 1627 C C . TYR A 1 234 ? 60.310 47.535 69.864 1.00 14.02 ? 234 TYR A C 1 ATOM 1628 O O . TYR A 1 234 ? 60.664 48.686 69.596 1.00 13.06 ? 234 TYR A O 1 ATOM 1629 C CB . TYR A 1 234 ? 58.836 46.457 68.162 1.00 8.77 ? 234 TYR A CB 1 ATOM 1630 C CG . TYR A 1 234 ? 57.446 46.044 67.756 1.00 8.93 ? 234 TYR A CG 1 ATOM 1631 C CD1 . TYR A 1 234 ? 56.691 46.826 66.879 1.00 10.61 ? 234 TYR A CD1 1 ATOM 1632 C CD2 . TYR A 1 234 ? 56.867 44.888 68.276 1.00 6.12 ? 234 TYR A CD2 1 ATOM 1633 C CE1 . TYR A 1 234 ? 55.394 46.466 66.530 1.00 7.20 ? 234 TYR A CE1 1 ATOM 1634 C CE2 . TYR A 1 234 ? 55.572 44.521 67.937 1.00 9.90 ? 234 TYR A CE2 1 ATOM 1635 C CZ . TYR A 1 234 ? 54.840 45.314 67.065 1.00 11.82 ? 234 TYR A CZ 1 ATOM 1636 O OH . TYR A 1 234 ? 53.549 44.956 66.747 1.00 9.02 ? 234 TYR A OH 1 ATOM 1637 N N . LYS A 1 235 ? 61.119 46.636 70.415 1.00 12.06 ? 235 LYS A N 1 ATOM 1638 C CA . LYS A 1 235 ? 62.496 46.961 70.778 1.00 14.30 ? 235 LYS A CA 1 ATOM 1639 C C . LYS A 1 235 ? 63.330 47.487 69.618 1.00 12.24 ? 235 LYS A C 1 ATOM 1640 O O . LYS A 1 235 ? 63.396 46.874 68.552 1.00 15.62 ? 235 LYS A O 1 ATOM 1641 C CB . LYS A 1 235 ? 63.197 45.738 71.378 1.00 16.82 ? 235 LYS A CB 1 ATOM 1642 C CG . LYS A 1 235 ? 64.565 46.050 71.976 1.00 21.83 ? 235 LYS A CG 1 ATOM 1643 C CD . LYS A 1 235 ? 64.434 46.957 73.192 1.00 27.59 ? 235 LYS A CD 1 ATOM 1644 C CE . LYS A 1 235 ? 65.791 47.453 73.669 1.00 35.35 ? 235 LYS A CE 1 ATOM 1645 N NZ . LYS A 1 235 ? 66.466 48.285 72.634 1.00 37.84 ? 235 LYS A NZ 1 ATOM 1646 N N . GLY A 1 236 ? 63.970 48.631 69.835 1.00 13.90 ? 236 GLY A N 1 ATOM 1647 C CA . GLY A 1 236 ? 64.808 49.213 68.803 1.00 16.62 ? 236 GLY A CA 1 ATOM 1648 C C . GLY A 1 236 ? 64.075 50.068 67.789 1.00 17.88 ? 236 GLY A C 1 ATOM 1649 O O . GLY A 1 236 ? 64.706 50.770 67.000 1.00 21.17 ? 236 GLY A O 1 ATOM 1650 N N . VAL A 1 237 ? 62.747 50.007 67.796 1.00 15.41 ? 237 VAL A N 1 ATOM 1651 C CA . VAL A 1 237 ? 61.945 50.796 66.866 1.00 12.73 ? 237 VAL A CA 1 ATOM 1652 C C . VAL A 1 237 ? 61.315 51.933 67.657 1.00 12.09 ? 237 VAL A C 1 ATOM 1653 O O . VAL A 1 237 ? 60.162 51.846 68.079 1.00 10.68 ? 237 VAL A O 1 ATOM 1654 C CB . VAL A 1 237 ? 60.832 49.940 66.228 1.00 14.68 ? 237 VAL A CB 1 ATOM 1655 C CG1 . VAL A 1 237 ? 60.127 50.732 65.140 1.00 12.00 ? 237 VAL A CG1 1 ATOM 1656 C CG2 . VAL A 1 237 ? 61.426 48.659 65.660 1.00 16.06 ? 237 VAL A CG2 1 ATOM 1657 N N . ASP A 1 238 ? 62.078 53.004 67.855 1.00 10.88 ? 238 ASP A N 1 ATOM 1658 C CA . ASP A 1 238 ? 61.599 54.134 68.642 1.00 8.68 ? 238 ASP A CA 1 ATOM 1659 C C . ASP A 1 238 ? 60.842 55.204 67.870 1.00 8.04 ? 238 ASP A C 1 ATOM 1660 O O . ASP A 1 238 ? 60.146 56.031 68.466 1.00 14.34 ? 238 ASP A O 1 ATOM 1661 C CB . ASP A 1 238 ? 62.770 54.754 69.404 1.00 13.18 ? 238 ASP A CB 1 ATOM 1662 C CG . ASP A 1 238 ? 63.433 53.761 70.338 1.00 24.17 ? 238 ASP A CG 1 ATOM 1663 O OD1 . ASP A 1 238 ? 62.703 53.080 71.090 1.00 27.90 ? 238 ASP A OD1 1 ATOM 1664 O OD2 . ASP A 1 238 ? 64.677 53.660 70.323 1.00 31.30 ? 238 ASP A OD2 1 ATOM 1665 N N . VAL A 1 239 ? 60.971 55.198 66.549 1.00 8.93 ? 239 VAL A N 1 ATOM 1666 C CA . VAL A 1 239 ? 60.250 56.167 65.738 1.00 7.27 ? 239 VAL A CA 1 ATOM 1667 C C . VAL A 1 239 ? 58.868 55.595 65.434 1.00 8.60 ? 239 VAL A C 1 ATOM 1668 O O . VAL A 1 239 ? 58.684 54.374 65.395 1.00 8.58 ? 239 VAL A O 1 ATOM 1669 C CB A VAL A 1 239 ? 60.982 56.446 64.410 0.50 7.38 ? 239 VAL A CB 1 ATOM 1670 C CB B VAL A 1 239 ? 60.978 56.456 64.407 0.50 7.66 ? 239 VAL A CB 1 ATOM 1671 C CG1 A VAL A 1 239 ? 62.329 57.085 64.685 0.50 5.09 ? 239 VAL A CG1 1 ATOM 1672 C CG1 B VAL A 1 239 ? 60.981 55.213 63.530 0.50 8.95 ? 239 VAL A CG1 1 ATOM 1673 C CG2 A VAL A 1 239 ? 61.157 55.151 63.632 0.50 9.69 ? 239 VAL A CG2 1 ATOM 1674 C CG2 B VAL A 1 239 ? 60.307 57.615 63.693 0.50 7.28 ? 239 VAL A CG2 1 ATOM 1675 N N . THR A 1 240 ? 57.893 56.475 65.243 1.00 8.94 ? 240 THR A N 1 ATOM 1676 C CA . THR A 1 240 ? 56.538 56.048 64.921 1.00 9.47 ? 240 THR A CA 1 ATOM 1677 C C . THR A 1 240 ? 56.550 55.510 63.497 1.00 11.64 ? 240 THR A C 1 ATOM 1678 O O . THR A 1 240 ? 57.411 55.879 62.700 1.00 12.96 ? 240 THR A O 1 ATOM 1679 C CB . THR A 1 240 ? 55.560 57.222 64.980 1.00 14.22 ? 240 THR A CB 1 ATOM 1680 O OG1 . THR A 1 240 ? 56.028 58.272 64.120 1.00 16.08 ? 240 THR A OG1 1 ATOM 1681 C CG2 . THR A 1 240 ? 55.427 57.731 66.404 1.00 17.12 ? 240 THR A CG2 1 ATOM 1682 N N . THR A 1 241 ? 55.600 54.637 63.171 1.00 7.02 ? 241 THR A N 1 ATOM 1683 C CA . THR A 1 241 ? 55.549 54.082 61.825 1.00 6.34 ? 241 THR A CA 1 ATOM 1684 C C . THR A 1 241 ? 54.208 54.339 61.155 1.00 6.17 ? 241 THR A C 1 ATOM 1685 O O . THR A 1 241 ? 53.180 53.832 61.601 1.00 7.22 ? 241 THR A O 1 ATOM 1686 C CB . THR A 1 241 ? 55.777 52.552 61.826 1.00 7.50 ? 241 THR A CB 1 ATOM 1687 O OG1 . THR A 1 241 ? 56.952 52.239 62.580 1.00 10.46 ? 241 THR A OG1 1 ATOM 1688 C CG2 . THR A 1 241 ? 55.953 52.041 60.389 1.00 9.75 ? 241 THR A CG2 1 ATOM 1689 N N . PRO A 1 242 ? 54.199 55.147 60.083 1.00 6.57 ? 242 PRO A N 1 ATOM 1690 C CA . PRO A 1 242 ? 52.956 55.440 59.368 1.00 9.70 ? 242 PRO A CA 1 ATOM 1691 C C . PRO A 1 242 ? 52.665 54.279 58.425 1.00 7.03 ? 242 PRO A C 1 ATOM 1692 O O . PRO A 1 242 ? 53.461 53.972 57.543 1.00 8.85 ? 242 PRO A O 1 ATOM 1693 C CB . PRO A 1 242 ? 53.283 56.729 58.622 1.00 7.38 ? 242 PRO A CB 1 ATOM 1694 C CG . PRO A 1 242 ? 54.736 56.557 58.305 1.00 10.45 ? 242 PRO A CG 1 ATOM 1695 C CD . PRO A 1 242 ? 55.300 55.998 59.594 1.00 10.04 ? 242 PRO A CD 1 ATOM 1696 N N . THR A 1 243 ? 51.528 53.627 58.621 1.00 5.60 ? 243 THR A N 1 ATOM 1697 C CA . THR A 1 243 ? 51.171 52.504 57.778 1.00 6.94 ? 243 THR A CA 1 ATOM 1698 C C . THR A 1 243 ? 49.655 52.425 57.654 1.00 8.66 ? 243 THR A C 1 ATOM 1699 O O . THR A 1 243 ? 48.964 53.426 57.852 1.00 7.29 ? 243 THR A O 1 ATOM 1700 C CB . THR A 1 243 ? 51.767 51.193 58.350 1.00 11.48 ? 243 THR A CB 1 ATOM 1701 O OG1 . THR A 1 243 ? 51.436 50.094 57.494 1.00 8.58 ? 243 THR A OG1 1 ATOM 1702 C CG2 . THR A 1 243 ? 51.254 50.939 59.759 1.00 8.86 ? 243 THR A CG2 1 ATOM 1703 N N . VAL A 1 244 ? 49.137 51.252 57.311 1.00 6.07 ? 244 VAL A N 1 ATOM 1704 C CA . VAL A 1 244 ? 47.699 51.084 57.155 1.00 7.27 ? 244 VAL A CA 1 ATOM 1705 C C . VAL A 1 244 ? 47.217 49.888 57.958 1.00 6.03 ? 244 VAL A C 1 ATOM 1706 O O . VAL A 1 244 ? 48.012 49.038 58.367 1.00 6.46 ? 244 VAL A O 1 ATOM 1707 C CB . VAL A 1 244 ? 47.310 50.883 55.666 1.00 5.31 ? 244 VAL A CB 1 ATOM 1708 C CG1 . VAL A 1 244 ? 47.764 52.083 54.842 1.00 9.21 ? 244 VAL A CG1 1 ATOM 1709 C CG2 . VAL A 1 244 ? 47.937 49.607 55.130 1.00 6.21 ? 244 VAL A CG2 1 ATOM 1710 N N . ALA A 1 245 ? 45.911 49.829 58.187 1.00 4.33 ? 245 ALA A N 1 ATOM 1711 C CA . ALA A 1 245 ? 45.343 48.732 58.952 1.00 6.59 ? 245 ALA A CA 1 ATOM 1712 C C . ALA A 1 245 ? 43.959 48.346 58.464 1.00 8.68 ? 245 ALA A C 1 ATOM 1713 O O . ALA A 1 245 ? 43.312 49.088 57.723 1.00 6.73 ? 245 ALA A O 1 ATOM 1714 C CB . ALA A 1 245 ? 45.273 49.115 60.426 1.00 5.85 ? 245 ALA A CB 1 ATOM 1715 N N . VAL A 1 246 ? 43.538 47.152 58.865 1.00 6.02 ? 246 VAL A N 1 ATOM 1716 C CA . VAL A 1 246 ? 42.212 46.642 58.560 1.00 4.09 ? 246 VAL A CA 1 ATOM 1717 C C . VAL A 1 246 ? 41.664 46.240 59.922 1.00 5.91 ? 246 VAL A C 1 ATOM 1718 O O . VAL A 1 246 ? 42.221 46.639 60.947 1.00 6.52 ? 246 VAL A O 1 ATOM 1719 C CB . VAL A 1 246 ? 42.248 45.435 57.601 1.00 1.25 ? 246 VAL A CB 1 ATOM 1720 C CG1 . VAL A 1 246 ? 42.659 45.902 56.205 1.00 6.11 ? 246 VAL A CG1 1 ATOM 1721 C CG2 . VAL A 1 246 ? 43.208 44.382 58.119 1.00 5.32 ? 246 VAL A CG2 1 ATOM 1722 N N . GLN A 1 247 ? 40.603 45.448 59.959 1.00 5.93 ? 247 GLN A N 1 ATOM 1723 C CA . GLN A 1 247 ? 40.019 45.089 61.248 1.00 5.04 ? 247 GLN A CA 1 ATOM 1724 C C . GLN A 1 247 ? 39.903 43.589 61.476 1.00 5.47 ? 247 GLN A C 1 ATOM 1725 O O . GLN A 1 247 ? 39.485 42.852 60.589 1.00 7.23 ? 247 GLN A O 1 ATOM 1726 C CB . GLN A 1 247 ? 38.641 45.747 61.348 1.00 11.52 ? 247 GLN A CB 1 ATOM 1727 C CG . GLN A 1 247 ? 38.034 45.800 62.729 1.00 20.89 ? 247 GLN A CG 1 ATOM 1728 C CD . GLN A 1 247 ? 36.810 46.698 62.762 1.00 24.67 ? 247 GLN A CD 1 ATOM 1729 O OE1 . GLN A 1 247 ? 35.829 46.458 62.057 1.00 29.75 ? 247 GLN A OE1 1 ATOM 1730 N NE2 . GLN A 1 247 ? 36.869 47.746 63.574 1.00 31.63 ? 247 GLN A NE2 1 ATOM 1731 N N . ALA A 1 248 ? 40.289 43.138 62.667 1.00 4.82 ? 248 ALA A N 1 ATOM 1732 C CA . ALA A 1 248 ? 40.195 41.721 62.999 1.00 5.03 ? 248 ALA A CA 1 ATOM 1733 C C . ALA A 1 248 ? 38.758 41.458 63.417 1.00 6.64 ? 248 ALA A C 1 ATOM 1734 O O . ALA A 1 248 ? 38.155 42.266 64.121 1.00 5.73 ? 248 ALA A O 1 ATOM 1735 C CB . ALA A 1 248 ? 41.152 41.372 64.150 1.00 4.55 ? 248 ALA A CB 1 HETATM 1736 N N . MSE A 1 249 ? 38.206 40.333 62.972 1.00 4.73 ? 249 MSE A N 1 HETATM 1737 C CA . MSE A 1 249 ? 36.836 39.983 63.318 1.00 7.74 ? 249 MSE A CA 1 HETATM 1738 C C . MSE A 1 249 ? 36.730 38.522 63.712 1.00 6.84 ? 249 MSE A C 1 HETATM 1739 O O . MSE A 1 249 ? 37.543 37.694 63.301 1.00 6.69 ? 249 MSE A O 1 HETATM 1740 C CB . MSE A 1 249 ? 35.895 40.205 62.131 1.00 7.04 ? 249 MSE A CB 1 HETATM 1741 C CG . MSE A 1 249 ? 35.780 41.625 61.616 1.00 14.72 ? 249 MSE A CG 1 HETATM 1742 SE SE . MSE A 1 249 ? 34.397 41.643 60.273 1.00 28.14 ? 249 MSE A SE 1 HETATM 1743 C CE . MSE A 1 249 ? 34.879 40.048 59.314 1.00 14.58 ? 249 MSE A CE 1 ATOM 1744 N N . LEU A 1 250 ? 35.722 38.217 64.517 1.00 6.61 ? 250 LEU A N 1 ATOM 1745 C CA . LEU A 1 250 ? 35.446 36.846 64.916 1.00 4.02 ? 250 LEU A CA 1 ATOM 1746 C C . LEU A 1 250 ? 34.257 36.498 64.030 1.00 7.09 ? 250 LEU A C 1 ATOM 1747 O O . LEU A 1 250 ? 33.269 37.236 64.003 1.00 6.20 ? 250 LEU A O 1 ATOM 1748 C CB . LEU A 1 250 ? 35.035 36.775 66.387 1.00 4.20 ? 250 LEU A CB 1 ATOM 1749 C CG . LEU A 1 250 ? 34.654 35.387 66.918 1.00 2.60 ? 250 LEU A CG 1 ATOM 1750 C CD1 . LEU A 1 250 ? 35.843 34.435 66.820 1.00 5.80 ? 250 LEU A CD1 1 ATOM 1751 C CD2 . LEU A 1 250 ? 34.193 35.514 68.364 1.00 10.18 ? 250 LEU A CD2 1 ATOM 1752 N N . ILE A 1 251 ? 34.360 35.401 63.287 1.00 3.97 ? 251 ILE A N 1 ATOM 1753 C CA . ILE A 1 251 ? 33.280 34.993 62.398 1.00 3.55 ? 251 ILE A CA 1 ATOM 1754 C C . ILE A 1 251 ? 32.851 33.566 62.705 1.00 6.55 ? 251 ILE A C 1 ATOM 1755 O O . ILE A 1 251 ? 33.565 32.821 63.378 1.00 6.93 ? 251 ILE A O 1 ATOM 1756 C CB . ILE A 1 251 ? 33.691 35.087 60.903 1.00 5.09 ? 251 ILE A CB 1 ATOM 1757 C CG1 . ILE A 1 251 ? 34.921 34.217 60.632 1.00 4.88 ? 251 ILE A CG1 1 ATOM 1758 C CG2 . ILE A 1 251 ? 33.981 36.542 60.519 1.00 4.82 ? 251 ILE A CG2 1 ATOM 1759 C CD1 . ILE A 1 251 ? 35.285 34.131 59.163 1.00 8.93 ? 251 ILE A CD1 1 ATOM 1760 N N . ALA A 1 252 ? 31.676 33.187 62.217 1.00 6.37 ? 252 ALA A N 1 ATOM 1761 C CA . ALA A 1 252 ? 31.164 31.847 62.459 1.00 5.62 ? 252 ALA A CA 1 ATOM 1762 C C . ALA A 1 252 ? 30.357 31.334 61.282 1.00 6.19 ? 252 ALA A C 1 ATOM 1763 O O . ALA A 1 252 ? 29.929 32.100 60.421 1.00 4.29 ? 252 ALA A O 1 ATOM 1764 C CB . ALA A 1 252 ? 30.300 31.837 63.716 1.00 9.22 ? 252 ALA A CB 1 ATOM 1765 N N . SER A 1 253 ? 30.154 30.024 61.257 1.00 4.75 ? 253 SER A N 1 ATOM 1766 C CA . SER A 1 253 ? 29.381 29.399 60.196 1.00 6.43 ? 253 SER A CA 1 ATOM 1767 C C . SER A 1 253 ? 27.899 29.701 60.370 1.00 5.50 ? 253 SER A C 1 ATOM 1768 O O . SER A 1 253 ? 27.393 29.748 61.490 1.00 6.72 ? 253 SER A O 1 ATOM 1769 C CB . SER A 1 253 ? 29.580 27.885 60.219 1.00 11.04 ? 253 SER A CB 1 ATOM 1770 O OG . SER A 1 253 ? 28.589 27.241 59.431 1.00 11.49 ? 253 SER A OG 1 ATOM 1771 N N . GLU A 1 254 ? 27.206 29.896 59.255 1.00 7.12 ? 254 GLU A N 1 ATOM 1772 C CA . GLU A 1 254 ? 25.776 30.164 59.290 1.00 9.72 ? 254 GLU A CA 1 ATOM 1773 C C . GLU A 1 254 ? 25.064 28.912 59.794 1.00 10.39 ? 254 GLU A C 1 ATOM 1774 O O . GLU A 1 254 ? 23.917 28.972 60.235 1.00 12.05 ? 254 GLU A O 1 ATOM 1775 C CB . GLU A 1 254 ? 25.275 30.515 57.885 1.00 13.60 ? 254 GLU A CB 1 ATOM 1776 C CG . GLU A 1 254 ? 25.462 29.397 56.871 1.00 28.08 ? 254 GLU A CG 1 ATOM 1777 C CD . GLU A 1 254 ? 24.190 28.607 56.623 1.00 36.49 ? 254 GLU A CD 1 ATOM 1778 O OE1 . GLU A 1 254 ? 23.486 28.279 57.602 1.00 35.28 ? 254 GLU A OE1 1 ATOM 1779 O OE2 . GLU A 1 254 ? 23.898 28.308 55.444 1.00 41.26 ? 254 GLU A OE2 1 ATOM 1780 N N . ARG A 1 255 ? 25.757 27.778 59.728 1.00 9.24 ? 255 ARG A N 1 ATOM 1781 C CA . ARG A 1 255 ? 25.192 26.503 60.162 1.00 13.68 ? 255 ARG A CA 1 ATOM 1782 C C . ARG A 1 255 ? 25.017 26.362 61.671 1.00 12.09 ? 255 ARG A C 1 ATOM 1783 O O . ARG A 1 255 ? 24.205 25.553 62.125 1.00 13.96 ? 255 ARG A O 1 ATOM 1784 C CB . ARG A 1 255 ? 26.039 25.341 59.634 1.00 17.45 ? 255 ARG A CB 1 ATOM 1785 C CG . ARG A 1 255 ? 26.032 25.212 58.123 1.00 24.30 ? 255 ARG A CG 1 ATOM 1786 C CD . ARG A 1 255 ? 26.691 23.915 57.683 1.00 32.52 ? 255 ARG A CD 1 ATOM 1787 N NE . ARG A 1 255 ? 26.648 23.742 56.234 1.00 42.72 ? 255 ARG A NE 1 ATOM 1788 C CZ . ARG A 1 255 ? 26.985 22.619 55.605 1.00 47.25 ? 255 ARG A CZ 1 ATOM 1789 N NH1 . ARG A 1 255 ? 27.390 21.564 56.300 1.00 49.38 ? 255 ARG A NH1 1 ATOM 1790 N NH2 . ARG A 1 255 ? 26.919 22.551 54.282 1.00 47.26 ? 255 ARG A NH2 1 ATOM 1791 N N . LEU A 1 256 ? 25.784 27.120 62.451 1.00 7.35 ? 256 LEU A N 1 ATOM 1792 C CA . LEU A 1 256 ? 25.642 27.065 63.905 1.00 8.27 ? 256 LEU A CA 1 ATOM 1793 C C . LEU A 1 256 ? 24.264 27.617 64.245 1.00 7.95 ? 256 LEU A C 1 ATOM 1794 O O . LEU A 1 256 ? 23.831 28.621 63.671 1.00 9.59 ? 256 LEU A O 1 ATOM 1795 C CB . LEU A 1 256 ? 26.713 27.910 64.604 1.00 7.95 ? 256 LEU A CB 1 ATOM 1796 C CG . LEU A 1 256 ? 28.125 27.332 64.733 1.00 12.89 ? 256 LEU A CG 1 ATOM 1797 C CD1 . LEU A 1 256 ? 29.005 28.312 65.506 1.00 10.05 ? 256 LEU A CD1 1 ATOM 1798 C CD2 . LEU A 1 256 ? 28.071 25.990 65.456 1.00 9.70 ? 256 LEU A CD2 1 ATOM 1799 N N . SER A 1 257 ? 23.572 26.968 65.176 1.00 6.64 ? 257 SER A N 1 ATOM 1800 C CA . SER A 1 257 ? 22.236 27.413 65.548 1.00 7.86 ? 257 SER A CA 1 ATOM 1801 C C . SER A 1 257 ? 22.285 28.749 66.261 1.00 10.16 ? 257 SER A C 1 ATOM 1802 O O . SER A 1 257 ? 23.306 29.122 66.840 1.00 7.04 ? 257 SER A O 1 ATOM 1803 C CB . SER A 1 257 ? 21.554 26.388 66.457 1.00 8.59 ? 257 SER A CB 1 ATOM 1804 O OG . SER A 1 257 ? 22.161 26.358 67.739 1.00 10.55 ? 257 SER A OG 1 ATOM 1805 N N . GLU A 1 258 ? 21.168 29.463 66.215 1.00 6.40 ? 258 GLU A N 1 ATOM 1806 C CA . GLU A 1 258 ? 21.058 30.756 66.867 1.00 6.65 ? 258 GLU A CA 1 ATOM 1807 C C . GLU A 1 258 ? 21.280 30.583 68.368 1.00 7.18 ? 258 GLU A C 1 ATOM 1808 O O . GLU A 1 258 ? 21.969 31.384 68.996 1.00 8.08 ? 258 GLU A O 1 ATOM 1809 C CB . GLU A 1 258 ? 19.673 31.352 66.584 1.00 10.59 ? 258 GLU A CB 1 ATOM 1810 C CG . GLU A 1 258 ? 19.329 32.620 67.350 1.00 13.41 ? 258 GLU A CG 1 ATOM 1811 C CD . GLU A 1 258 ? 18.959 32.342 68.798 1.00 19.52 ? 258 GLU A CD 1 ATOM 1812 O OE1 . GLU A 1 258 ? 18.240 31.351 69.045 1.00 20.38 ? 258 GLU A OE1 1 ATOM 1813 O OE2 . GLU A 1 258 ? 19.374 33.117 69.686 1.00 22.36 ? 258 GLU A OE2 1 ATOM 1814 N N . GLU A 1 259 ? 20.704 29.528 68.938 1.00 8.79 ? 259 GLU A N 1 ATOM 1815 C CA . GLU A 1 259 ? 20.848 29.278 70.368 1.00 7.47 ? 259 GLU A CA 1 ATOM 1816 C C . GLU A 1 259 ? 22.292 29.025 70.776 1.00 10.73 ? 259 GLU A C 1 ATOM 1817 O O . GLU A 1 259 ? 22.745 29.521 71.807 1.00 8.29 ? 259 GLU A O 1 ATOM 1818 C CB . GLU A 1 259 ? 19.978 28.094 70.793 1.00 10.97 ? 259 GLU A CB 1 ATOM 1819 C CG . GLU A 1 259 ? 18.501 28.423 70.910 1.00 23.74 ? 259 GLU A CG 1 ATOM 1820 C CD . GLU A 1 259 ? 18.227 29.475 71.970 1.00 27.63 ? 259 GLU A CD 1 ATOM 1821 O OE1 . GLU A 1 259 ? 18.657 29.281 73.127 1.00 30.92 ? 259 GLU A OE1 1 ATOM 1822 O OE2 . GLU A 1 259 ? 17.579 30.491 71.644 1.00 28.33 ? 259 GLU A OE2 1 ATOM 1823 N N . THR A 1 260 ? 23.015 28.251 69.974 1.00 6.67 ? 260 THR A N 1 ATOM 1824 C CA . THR A 1 260 ? 24.409 27.955 70.287 1.00 6.30 ? 260 THR A CA 1 ATOM 1825 C C . THR A 1 260 ? 25.243 29.229 70.253 1.00 8.15 ? 260 THR A C 1 ATOM 1826 O O . THR A 1 260 ? 26.009 29.508 71.174 1.00 6.04 ? 260 THR A O 1 ATOM 1827 C CB . THR A 1 260 ? 25.006 26.937 69.294 1.00 8.26 ? 260 THR A CB 1 ATOM 1828 O OG1 . THR A 1 260 ? 24.324 25.685 69.437 1.00 13.59 ? 260 THR A OG1 1 ATOM 1829 C CG2 . THR A 1 260 ? 26.494 26.726 69.572 1.00 6.31 ? 260 THR A CG2 1 ATOM 1830 N N . VAL A 1 261 ? 25.084 30.011 69.193 1.00 4.54 ? 261 VAL A N 1 ATOM 1831 C CA . VAL A 1 261 ? 25.835 31.250 69.071 1.00 2.59 ? 261 VAL A CA 1 ATOM 1832 C C . VAL A 1 261 ? 25.462 32.242 70.170 1.00 6.78 ? 261 VAL A C 1 ATOM 1833 O O . VAL A 1 261 ? 26.326 32.932 70.707 1.00 6.60 ? 261 VAL A O 1 ATOM 1834 C CB . VAL A 1 261 ? 25.624 31.883 67.679 1.00 6.18 ? 261 VAL A CB 1 ATOM 1835 C CG1 . VAL A 1 261 ? 26.258 33.273 67.624 1.00 5.47 ? 261 VAL A CG1 1 ATOM 1836 C CG2 . VAL A 1 261 ? 26.255 30.983 66.620 1.00 5.92 ? 261 VAL A CG2 1 ATOM 1837 N N . TYR A 1 262 ? 24.180 32.307 70.515 1.00 7.09 ? 262 TYR A N 1 ATOM 1838 C CA . TYR A 1 262 ? 23.726 33.220 71.563 1.00 5.71 ? 262 TYR A CA 1 ATOM 1839 C C . TYR A 1 262 ? 24.361 32.866 72.912 1.00 6.82 ? 262 TYR A C 1 ATOM 1840 O O . TYR A 1 262 ? 24.828 33.749 73.635 1.00 5.63 ? 262 TYR A O 1 ATOM 1841 C CB . TYR A 1 262 ? 22.201 33.173 71.676 1.00 5.39 ? 262 TYR A CB 1 ATOM 1842 C CG . TYR A 1 262 ? 21.646 33.973 72.833 1.00 6.40 ? 262 TYR A CG 1 ATOM 1843 C CD1 . TYR A 1 262 ? 21.726 35.366 72.854 1.00 9.77 ? 262 TYR A CD1 1 ATOM 1844 C CD2 . TYR A 1 262 ? 21.059 33.330 73.920 1.00 7.64 ? 262 TYR A CD2 1 ATOM 1845 C CE1 . TYR A 1 262 ? 21.230 36.099 73.940 1.00 8.58 ? 262 TYR A CE1 1 ATOM 1846 C CE2 . TYR A 1 262 ? 20.566 34.049 75.004 1.00 9.59 ? 262 TYR A CE2 1 ATOM 1847 C CZ . TYR A 1 262 ? 20.654 35.427 75.010 1.00 11.21 ? 262 TYR A CZ 1 ATOM 1848 O OH . TYR A 1 262 ? 20.177 36.125 76.098 1.00 11.91 ? 262 TYR A OH 1 ATOM 1849 N N . LYS A 1 263 ? 24.373 31.578 73.249 1.00 7.52 ? 263 LYS A N 1 ATOM 1850 C CA . LYS A 1 263 ? 24.968 31.126 74.509 1.00 7.42 ? 263 LYS A CA 1 ATOM 1851 C C . LYS A 1 263 ? 26.451 31.467 74.517 1.00 8.23 ? 263 LYS A C 1 ATOM 1852 O O . LYS A 1 263 ? 27.009 31.878 75.540 1.00 5.42 ? 263 LYS A O 1 ATOM 1853 C CB . LYS A 1 263 ? 24.811 29.612 74.676 1.00 11.16 ? 263 LYS A CB 1 ATOM 1854 C CG . LYS A 1 263 ? 23.396 29.136 74.921 1.00 23.40 ? 263 LYS A CG 1 ATOM 1855 C CD . LYS A 1 263 ? 23.406 27.650 75.249 1.00 28.45 ? 263 LYS A CD 1 ATOM 1856 C CE . LYS A 1 263 ? 22.019 27.128 75.576 1.00 36.80 ? 263 LYS A CE 1 ATOM 1857 N NZ . LYS A 1 263 ? 22.075 25.713 76.044 1.00 40.09 ? 263 LYS A NZ 1 ATOM 1858 N N . PHE A 1 264 ? 27.080 31.275 73.362 1.00 4.91 ? 264 PHE A N 1 ATOM 1859 C CA . PHE A 1 264 ? 28.495 31.559 73.180 1.00 4.35 ? 264 PHE A CA 1 ATOM 1860 C C . PHE A 1 264 ? 28.761 33.041 73.432 1.00 5.58 ? 264 PHE A C 1 ATOM 1861 O O . PHE A 1 264 ? 29.673 33.406 74.180 1.00 5.23 ? 264 PHE A O 1 ATOM 1862 C CB . PHE A 1 264 ? 28.911 31.196 71.753 1.00 8.13 ? 264 PHE A CB 1 ATOM 1863 C CG . PHE A 1 264 ? 30.307 31.618 71.404 1.00 6.14 ? 264 PHE A CG 1 ATOM 1864 C CD1 . PHE A 1 264 ? 31.386 30.780 71.656 1.00 7.97 ? 264 PHE A CD1 1 ATOM 1865 C CD2 . PHE A 1 264 ? 30.547 32.872 70.848 1.00 5.69 ? 264 PHE A CD2 1 ATOM 1866 C CE1 . PHE A 1 264 ? 32.686 31.185 71.360 1.00 10.04 ? 264 PHE A CE1 1 ATOM 1867 C CE2 . PHE A 1 264 ? 31.843 33.285 70.550 1.00 10.81 ? 264 PHE A CE2 1 ATOM 1868 C CZ . PHE A 1 264 ? 32.915 32.438 70.807 1.00 8.24 ? 264 PHE A CZ 1 HETATM 1869 N N . MSE A 1 265 ? 27.958 33.891 72.800 1.00 5.70 ? 265 MSE A N 1 HETATM 1870 C CA . MSE A 1 265 ? 28.104 35.335 72.953 1.00 8.10 ? 265 MSE A CA 1 HETATM 1871 C C . MSE A 1 265 ? 28.029 35.773 74.415 1.00 5.54 ? 265 MSE A C 1 HETATM 1872 O O . MSE A 1 265 ? 28.850 36.566 74.871 1.00 6.42 ? 265 MSE A O 1 HETATM 1873 C CB . MSE A 1 265 ? 27.027 36.072 72.145 1.00 9.85 ? 265 MSE A CB 1 HETATM 1874 C CG . MSE A 1 265 ? 27.097 35.865 70.633 1.00 9.80 ? 265 MSE A CG 1 HETATM 1875 SE SE . MSE A 1 265 ? 28.719 36.515 69.792 1.00 11.10 ? 265 MSE A SE 1 HETATM 1876 C CE . MSE A 1 265 ? 28.430 38.413 70.018 1.00 12.78 ? 265 MSE A CE 1 ATOM 1877 N N . LYS A 1 266 ? 27.048 35.267 75.156 1.00 5.09 ? 266 LYS A N 1 ATOM 1878 C CA . LYS A 1 266 ? 26.929 35.657 76.556 1.00 6.26 ? 266 LYS A CA 1 ATOM 1879 C C . LYS A 1 266 ? 28.109 35.180 77.393 1.00 7.21 ? 266 LYS A C 1 ATOM 1880 O O . LYS A 1 266 ? 28.568 35.883 78.293 1.00 9.61 ? 266 LYS A O 1 ATOM 1881 C CB . LYS A 1 266 ? 25.621 35.134 77.155 1.00 6.12 ? 266 LYS A CB 1 ATOM 1882 C CG . LYS A 1 266 ? 24.387 35.815 76.592 1.00 11.99 ? 266 LYS A CG 1 ATOM 1883 C CD . LYS A 1 266 ? 23.179 35.632 77.506 1.00 16.14 ? 266 LYS A CD 1 ATOM 1884 C CE . LYS A 1 266 ? 22.811 34.168 77.670 1.00 20.99 ? 266 LYS A CE 1 ATOM 1885 N NZ . LYS A 1 266 ? 21.631 34.006 78.565 1.00 20.66 ? 266 LYS A NZ 1 ATOM 1886 N N . ALA A 1 267 ? 28.606 33.987 77.089 1.00 5.07 ? 267 ALA A N 1 ATOM 1887 C CA . ALA A 1 267 ? 29.729 33.423 77.828 1.00 8.12 ? 267 ALA A CA 1 ATOM 1888 C C . ALA A 1 267 ? 31.040 34.158 77.562 1.00 11.99 ? 267 ALA A C 1 ATOM 1889 O O . ALA A 1 267 ? 31.892 34.277 78.451 1.00 9.00 ? 267 ALA A O 1 ATOM 1890 C CB . ALA A 1 267 ? 29.888 31.956 77.473 1.00 8.30 ? 267 ALA A CB 1 ATOM 1891 N N . VAL A 1 268 ? 31.194 34.652 76.337 1.00 6.84 ? 268 VAL A N 1 ATOM 1892 C CA . VAL A 1 268 ? 32.408 35.346 75.927 1.00 5.49 ? 268 VAL A CA 1 ATOM 1893 C C . VAL A 1 268 ? 32.345 36.863 76.067 1.00 10.39 ? 268 VAL A C 1 ATOM 1894 O O . VAL A 1 268 ? 33.163 37.461 76.764 1.00 13.15 ? 268 VAL A O 1 ATOM 1895 C CB . VAL A 1 268 ? 32.759 34.999 74.461 1.00 4.76 ? 268 VAL A CB 1 ATOM 1896 C CG1 . VAL A 1 268 ? 34.016 35.742 74.030 1.00 8.43 ? 268 VAL A CG1 1 ATOM 1897 C CG2 . VAL A 1 268 ? 32.963 33.496 74.322 1.00 7.40 ? 268 VAL A CG2 1 ATOM 1898 N N . PHE A 1 269 ? 31.376 37.484 75.403 1.00 8.52 ? 269 PHE A N 1 ATOM 1899 C CA . PHE A 1 269 ? 31.248 38.934 75.454 1.00 8.85 ? 269 PHE A CA 1 ATOM 1900 C C . PHE A 1 269 ? 30.399 39.434 76.614 1.00 11.99 ? 269 PHE A C 1 ATOM 1901 O O . PHE A 1 269 ? 30.428 40.620 76.940 1.00 16.06 ? 269 PHE A O 1 ATOM 1902 C CB . PHE A 1 269 ? 30.699 39.451 74.127 1.00 7.61 ? 269 PHE A CB 1 ATOM 1903 C CG . PHE A 1 269 ? 31.545 39.071 72.947 1.00 10.08 ? 269 PHE A CG 1 ATOM 1904 C CD1 . PHE A 1 269 ? 31.260 37.928 72.206 1.00 10.28 ? 269 PHE A CD1 1 ATOM 1905 C CD2 . PHE A 1 269 ? 32.657 39.833 72.601 1.00 7.59 ? 269 PHE A CD2 1 ATOM 1906 C CE1 . PHE A 1 269 ? 32.067 37.549 71.138 1.00 8.75 ? 269 PHE A CE1 1 ATOM 1907 C CE2 . PHE A 1 269 ? 33.472 39.462 71.533 1.00 10.85 ? 269 PHE A CE2 1 ATOM 1908 C CZ . PHE A 1 269 ? 33.176 38.316 70.801 1.00 5.45 ? 269 PHE A CZ 1 ATOM 1909 N N . GLY A 1 270 ? 29.648 38.529 77.234 1.00 11.66 ? 270 GLY A N 1 ATOM 1910 C CA . GLY A 1 270 ? 28.819 38.904 78.365 1.00 14.49 ? 270 GLY A CA 1 ATOM 1911 C C . GLY A 1 270 ? 29.690 39.203 79.570 1.00 19.23 ? 270 GLY A C 1 ATOM 1912 O O . GLY A 1 270 ? 29.285 39.923 80.486 1.00 18.94 ? 270 GLY A O 1 ATOM 1913 N N . ASN A 1 271 ? 30.893 38.636 79.563 1.00 18.91 ? 271 ASN A N 1 ATOM 1914 C CA . ASN A 1 271 ? 31.866 38.834 80.632 1.00 22.54 ? 271 ASN A CA 1 ATOM 1915 C C . ASN A 1 271 ? 32.981 39.710 80.059 1.00 17.14 ? 271 ASN A C 1 ATOM 1916 O O . ASN A 1 271 ? 34.089 39.235 79.813 1.00 14.74 ? 271 ASN A O 1 ATOM 1917 C CB . ASN A 1 271 ? 32.443 37.485 81.082 1.00 30.64 ? 271 ASN A CB 1 ATOM 1918 C CG . ASN A 1 271 ? 31.399 36.575 81.710 1.00 36.14 ? 271 ASN A CG 1 ATOM 1919 O OD1 . ASN A 1 271 ? 30.765 36.933 82.703 1.00 35.68 ? 271 ASN A OD1 1 ATOM 1920 N ND2 . ASN A 1 271 ? 31.222 35.388 81.136 1.00 33.58 ? 271 ASN A ND2 1 ATOM 1921 N N . LEU A 1 272 ? 32.676 40.987 79.850 1.00 18.37 ? 272 LEU A N 1 ATOM 1922 C CA . LEU A 1 272 ? 33.626 41.932 79.268 1.00 16.37 ? 272 LEU A CA 1 ATOM 1923 C C . LEU A 1 272 ? 34.985 41.994 79.962 1.00 19.07 ? 272 LEU A C 1 ATOM 1924 O O . LEU A 1 272 ? 36.024 42.041 79.301 1.00 13.58 ? 272 LEU A O 1 ATOM 1925 C CB . LEU A 1 272 ? 33.001 43.328 79.223 1.00 22.30 ? 272 LEU A CB 1 ATOM 1926 C CG . LEU A 1 272 ? 33.705 44.373 78.357 1.00 22.79 ? 272 LEU A CG 1 ATOM 1927 C CD1 . LEU A 1 272 ? 33.859 43.850 76.932 1.00 24.05 ? 272 LEU A CD1 1 ATOM 1928 C CD2 . LEU A 1 272 ? 32.895 45.661 78.364 1.00 21.40 ? 272 LEU A CD2 1 ATOM 1929 N N . GLU A 1 273 ? 34.983 42.004 81.289 1.00 14.62 ? 273 GLU A N 1 ATOM 1930 C CA . GLU A 1 273 ? 36.230 42.058 82.039 1.00 15.96 ? 273 GLU A CA 1 ATOM 1931 C C . GLU A 1 273 ? 37.086 40.828 81.758 1.00 12.66 ? 273 GLU A C 1 ATOM 1932 O O . GLU A 1 273 ? 38.295 40.940 81.563 1.00 13.45 ? 273 GLU A O 1 ATOM 1933 C CB . GLU A 1 273 ? 35.935 42.177 83.535 1.00 16.95 ? 273 GLU A CB 1 ATOM 1934 C CG . GLU A 1 273 ? 35.384 43.538 83.931 1.00 29.65 ? 273 GLU A CG 1 ATOM 1935 C CD . GLU A 1 273 ? 34.853 43.564 85.352 1.00 39.85 ? 273 GLU A CD 1 ATOM 1936 O OE1 . GLU A 1 273 ? 35.526 43.018 86.251 1.00 40.73 ? 273 GLU A OE1 1 ATOM 1937 O OE2 . GLU A 1 273 ? 33.765 44.140 85.569 1.00 44.99 ? 273 GLU A OE2 1 ATOM 1938 N N . ALA A 1 274 ? 36.456 39.657 81.725 1.00 10.79 ? 274 ALA A N 1 ATOM 1939 C CA . ALA A 1 274 ? 37.179 38.417 81.457 1.00 9.18 ? 274 ALA A CA 1 ATOM 1940 C C . ALA A 1 274 ? 37.687 38.405 80.018 1.00 8.31 ? 274 ALA A C 1 ATOM 1941 O O . ALA A 1 274 ? 38.810 37.980 79.741 1.00 7.52 ? 274 ALA A O 1 ATOM 1942 C CB . ALA A 1 274 ? 36.263 37.216 81.698 1.00 9.42 ? 274 ALA A CB 1 ATOM 1943 N N . PHE A 1 275 ? 36.852 38.886 79.105 1.00 8.76 ? 275 PHE A N 1 ATOM 1944 C CA . PHE A 1 275 ? 37.204 38.923 77.694 1.00 5.29 ? 275 PHE A CA 1 ATOM 1945 C C . PHE A 1 275 ? 38.436 39.791 77.431 1.00 7.04 ? 275 PHE A C 1 ATOM 1946 O O . PHE A 1 275 ? 39.356 39.382 76.719 1.00 5.24 ? 275 PHE A O 1 ATOM 1947 C CB . PHE A 1 275 ? 36.024 39.442 76.874 1.00 7.62 ? 275 PHE A CB 1 ATOM 1948 C CG . PHE A 1 275 ? 36.279 39.463 75.398 1.00 8.29 ? 275 PHE A CG 1 ATOM 1949 C CD1 . PHE A 1 275 ? 36.457 38.276 74.695 1.00 11.04 ? 275 PHE A CD1 1 ATOM 1950 C CD2 . PHE A 1 275 ? 36.368 40.669 74.715 1.00 8.39 ? 275 PHE A CD2 1 ATOM 1951 C CE1 . PHE A 1 275 ? 36.720 38.290 73.331 1.00 6.46 ? 275 PHE A CE1 1 ATOM 1952 C CE2 . PHE A 1 275 ? 36.631 40.697 73.349 1.00 8.46 ? 275 PHE A CE2 1 ATOM 1953 C CZ . PHE A 1 275 ? 36.809 39.505 72.656 1.00 6.07 ? 275 PHE A CZ 1 ATOM 1954 N N . LYS A 1 276 ? 38.462 40.983 78.013 1.00 6.60 ? 276 LYS A N 1 ATOM 1955 C CA . LYS A 1 276 ? 39.587 41.888 77.801 1.00 6.53 ? 276 LYS A CA 1 ATOM 1956 C C . LYS A 1 276 ? 40.910 41.374 78.347 1.00 9.40 ? 276 LYS A C 1 ATOM 1957 O O . LYS A 1 276 ? 41.973 41.847 77.944 1.00 11.41 ? 276 LYS A O 1 ATOM 1958 C CB . LYS A 1 276 ? 39.276 43.266 78.390 1.00 8.80 ? 276 LYS A CB 1 ATOM 1959 C CG . LYS A 1 276 ? 38.179 43.996 77.639 1.00 6.77 ? 276 LYS A CG 1 ATOM 1960 C CD . LYS A 1 276 ? 37.979 45.405 78.181 1.00 16.74 ? 276 LYS A CD 1 ATOM 1961 C CE . LYS A 1 276 ? 36.910 46.145 77.397 1.00 18.70 ? 276 LYS A CE 1 ATOM 1962 N NZ . LYS A 1 276 ? 36.700 47.525 77.923 1.00 18.94 ? 276 LYS A NZ 1 ATOM 1963 N N . LYS A 1 277 ? 40.848 40.406 79.259 1.00 7.18 ? 277 LYS A N 1 ATOM 1964 C CA . LYS A 1 277 ? 42.051 39.822 79.842 1.00 7.61 ? 277 LYS A CA 1 ATOM 1965 C C . LYS A 1 277 ? 42.770 38.911 78.855 1.00 8.45 ? 277 LYS A C 1 ATOM 1966 O O . LYS A 1 277 ? 43.943 38.598 79.036 1.00 8.99 ? 277 LYS A O 1 ATOM 1967 C CB . LYS A 1 277 ? 41.705 38.984 81.074 1.00 11.35 ? 277 LYS A CB 1 ATOM 1968 C CG . LYS A 1 277 ? 41.233 39.751 82.285 1.00 12.45 ? 277 LYS A CG 1 ATOM 1969 C CD . LYS A 1 277 ? 40.847 38.754 83.370 1.00 9.79 ? 277 LYS A CD 1 ATOM 1970 C CE . LYS A 1 277 ? 40.389 39.440 84.637 1.00 12.59 ? 277 LYS A CE 1 ATOM 1971 N NZ . LYS A 1 277 ? 39.924 38.422 85.621 1.00 10.95 ? 277 LYS A NZ 1 ATOM 1972 N N . ILE A 1 278 ? 42.057 38.482 77.818 1.00 7.23 ? 278 ILE A N 1 ATOM 1973 C CA . ILE A 1 278 ? 42.614 37.571 76.826 1.00 6.84 ? 278 ILE A CA 1 ATOM 1974 C C . ILE A 1 278 ? 43.830 38.114 76.091 1.00 8.94 ? 278 ILE A C 1 ATOM 1975 O O . ILE A 1 278 ? 44.781 37.374 75.837 1.00 9.94 ? 278 ILE A O 1 ATOM 1976 C CB . ILE A 1 278 ? 41.527 37.149 75.815 1.00 8.07 ? 278 ILE A CB 1 ATOM 1977 C CG1 . ILE A 1 278 ? 40.459 36.327 76.545 1.00 9.19 ? 278 ILE A CG1 1 ATOM 1978 C CG2 . ILE A 1 278 ? 42.136 36.334 74.683 1.00 8.92 ? 278 ILE A CG2 1 ATOM 1979 C CD1 . ILE A 1 278 ? 39.234 36.034 75.724 1.00 6.09 ? 278 ILE A CD1 1 ATOM 1980 N N . HIS A 1 279 ? 43.808 39.399 75.752 1.00 7.84 ? 279 HIS A N 1 ATOM 1981 C CA . HIS A 1 279 ? 44.940 40.000 75.055 1.00 7.89 ? 279 HIS A CA 1 ATOM 1982 C C . HIS A 1 279 ? 44.943 41.520 75.184 1.00 5.86 ? 279 HIS A C 1 ATOM 1983 O O . HIS A 1 279 ? 43.891 42.150 75.260 1.00 6.20 ? 279 HIS A O 1 ATOM 1984 C CB . HIS A 1 279 ? 44.919 39.591 73.574 1.00 7.30 ? 279 HIS A CB 1 ATOM 1985 C CG . HIS A 1 279 ? 46.222 39.818 72.870 1.00 5.84 ? 279 HIS A CG 1 ATOM 1986 N ND1 . HIS A 1 279 ? 46.578 41.035 72.333 1.00 9.46 ? 279 HIS A ND1 1 ATOM 1987 C CD2 . HIS A 1 279 ? 47.277 38.992 72.669 1.00 6.75 ? 279 HIS A CD2 1 ATOM 1988 C CE1 . HIS A 1 279 ? 47.799 40.952 71.831 1.00 9.48 ? 279 HIS A CE1 1 ATOM 1989 N NE2 . HIS A 1 279 ? 48.245 39.724 72.023 1.00 9.66 ? 279 HIS A NE2 1 ATOM 1990 N N . PRO A 1 280 ? 46.140 42.129 75.224 1.00 9.52 ? 280 PRO A N 1 ATOM 1991 C CA . PRO A 1 280 ? 46.254 43.584 75.345 1.00 8.45 ? 280 PRO A CA 1 ATOM 1992 C C . PRO A 1 280 ? 45.469 44.350 74.278 1.00 5.80 ? 280 PRO A C 1 ATOM 1993 O O . PRO A 1 280 ? 44.950 45.432 74.547 1.00 6.09 ? 280 PRO A O 1 ATOM 1994 C CB . PRO A 1 280 ? 47.760 43.817 75.247 1.00 11.14 ? 280 PRO A CB 1 ATOM 1995 C CG . PRO A 1 280 ? 48.315 42.602 75.914 1.00 12.21 ? 280 PRO A CG 1 ATOM 1996 C CD . PRO A 1 280 ? 47.465 41.490 75.336 1.00 12.12 ? 280 PRO A CD 1 ATOM 1997 N N . ASN A 1 281 ? 45.376 43.798 73.072 1.00 5.85 ? 281 ASN A N 1 ATOM 1998 C CA . ASN A 1 281 ? 44.637 44.475 72.012 1.00 4.58 ? 281 ASN A CA 1 ATOM 1999 C C . ASN A 1 281 ? 43.146 44.578 72.319 1.00 4.90 ? 281 ASN A C 1 ATOM 2000 O O . ASN A 1 281 ? 42.486 45.522 71.893 1.00 6.09 ? 281 ASN A O 1 ATOM 2001 C CB . ASN A 1 281 ? 44.850 43.772 70.668 1.00 6.99 ? 281 ASN A CB 1 ATOM 2002 C CG . ASN A 1 281 ? 46.109 44.242 69.970 1.00 7.10 ? 281 ASN A CG 1 ATOM 2003 O OD1 . ASN A 1 281 ? 46.268 45.433 69.703 1.00 9.12 ? 281 ASN A OD1 1 ATOM 2004 N ND2 . ASN A 1 281 ? 47.012 43.314 69.674 1.00 9.14 ? 281 ASN A ND2 1 ATOM 2005 N N . LEU A 1 282 ? 42.619 43.604 73.052 1.00 4.39 ? 282 LEU A N 1 ATOM 2006 C CA . LEU A 1 282 ? 41.204 43.620 73.415 1.00 4.72 ? 282 LEU A CA 1 ATOM 2007 C C . LEU A 1 282 ? 40.994 44.654 74.520 1.00 6.25 ? 282 LEU A C 1 ATOM 2008 O O . LEU A 1 282 ? 40.047 45.437 74.485 1.00 6.24 ? 282 LEU A O 1 ATOM 2009 C CB . LEU A 1 282 ? 40.761 42.225 73.875 1.00 3.65 ? 282 LEU A CB 1 ATOM 2010 C CG . LEU A 1 282 ? 40.874 41.162 72.772 1.00 6.52 ? 282 LEU A CG 1 ATOM 2011 C CD1 . LEU A 1 282 ? 40.427 39.798 73.297 1.00 7.08 ? 282 LEU A CD1 1 ATOM 2012 C CD2 . LEU A 1 282 ? 40.014 41.574 71.583 1.00 4.72 ? 282 LEU A CD2 1 ATOM 2013 N N . GLU A 1 283 ? 41.887 44.660 75.501 1.00 8.49 ? 283 GLU A N 1 ATOM 2014 C CA . GLU A 1 283 ? 41.790 45.629 76.583 1.00 8.89 ? 283 GLU A CA 1 ATOM 2015 C C . GLU A 1 283 ? 41.875 47.043 76.005 1.00 9.89 ? 283 GLU A C 1 ATOM 2016 O O . GLU A 1 283 ? 41.118 47.933 76.388 1.00 9.34 ? 283 GLU A O 1 ATOM 2017 C CB . GLU A 1 283 ? 42.928 45.413 77.587 1.00 12.75 ? 283 GLU A CB 1 ATOM 2018 C CG . GLU A 1 283 ? 43.127 46.576 78.551 1.00 18.52 ? 283 GLU A CG 1 ATOM 2019 C CD . GLU A 1 283 ? 41.943 46.793 79.472 1.00 28.38 ? 283 GLU A CD 1 ATOM 2020 O OE1 . GLU A 1 283 ? 41.849 47.888 80.067 1.00 34.09 ? 283 GLU A OE1 1 ATOM 2021 O OE2 . GLU A 1 283 ? 41.113 45.870 79.611 1.00 25.44 ? 283 GLU A OE2 1 ATOM 2022 N N . ARG A 1 284 ? 42.784 47.233 75.056 1.00 6.07 ? 284 ARG A N 1 ATOM 2023 C CA . ARG A 1 284 ? 42.995 48.542 74.446 1.00 7.26 ? 284 ARG A CA 1 ATOM 2024 C C . ARG A 1 284 ? 41.945 49.017 73.447 1.00 9.97 ? 284 ARG A C 1 ATOM 2025 O O . ARG A 1 284 ? 41.514 50.170 73.502 1.00 11.42 ? 284 ARG A O 1 ATOM 2026 C CB . ARG A 1 284 ? 44.367 48.580 73.762 1.00 8.39 ? 284 ARG A CB 1 ATOM 2027 C CG . ARG A 1 284 ? 44.623 49.846 72.938 1.00 10.96 ? 284 ARG A CG 1 ATOM 2028 C CD . ARG A 1 284 ? 44.749 51.087 73.818 1.00 18.45 ? 284 ARG A CD 1 ATOM 2029 N NE . ARG A 1 284 ? 44.950 52.298 73.024 1.00 18.79 ? 284 ARG A NE 1 ATOM 2030 C CZ . ARG A 1 284 ? 43.990 52.917 72.344 1.00 25.17 ? 284 ARG A CZ 1 ATOM 2031 N NH1 . ARG A 1 284 ? 42.750 52.447 72.360 1.00 24.24 ? 284 ARG A NH1 1 ATOM 2032 N NH2 . ARG A 1 284 ? 44.271 54.003 71.635 1.00 28.50 ? 284 ARG A NH2 1 ATOM 2033 N N . PHE A 1 285 ? 41.521 48.126 72.555 1.00 8.34 ? 285 PHE A N 1 ATOM 2034 C CA . PHE A 1 285 ? 40.583 48.492 71.496 1.00 8.97 ? 285 PHE A CA 1 ATOM 2035 C C . PHE A 1 285 ? 39.155 47.960 71.506 1.00 9.69 ? 285 PHE A C 1 ATOM 2036 O O . PHE A 1 285 ? 38.285 48.539 70.854 1.00 9.60 ? 285 PHE A O 1 ATOM 2037 C CB . PHE A 1 285 ? 41.188 48.122 70.137 1.00 6.89 ? 285 PHE A CB 1 ATOM 2038 C CG . PHE A 1 285 ? 42.502 48.785 69.850 1.00 6.48 ? 285 PHE A CG 1 ATOM 2039 C CD1 . PHE A 1 285 ? 43.686 48.059 69.903 1.00 8.15 ? 285 PHE A CD1 1 ATOM 2040 C CD2 . PHE A 1 285 ? 42.553 50.131 69.499 1.00 8.66 ? 285 PHE A CD2 1 ATOM 2041 C CE1 . PHE A 1 285 ? 44.907 48.661 69.609 1.00 8.19 ? 285 PHE A CE1 1 ATOM 2042 C CE2 . PHE A 1 285 ? 43.766 50.744 69.203 1.00 5.92 ? 285 PHE A CE2 1 ATOM 2043 C CZ . PHE A 1 285 ? 44.946 50.007 69.258 1.00 7.94 ? 285 PHE A CZ 1 ATOM 2044 N N . PHE A 1 286 ? 38.896 46.868 72.212 1.00 8.45 ? 286 PHE A N 1 ATOM 2045 C CA . PHE A 1 286 ? 37.551 46.303 72.177 1.00 8.72 ? 286 PHE A CA 1 ATOM 2046 C C . PHE A 1 286 ? 36.459 47.032 72.939 1.00 11.69 ? 286 PHE A C 1 ATOM 2047 O O . PHE A 1 286 ? 36.676 47.541 74.037 1.00 10.08 ? 286 PHE A O 1 ATOM 2048 C CB . PHE A 1 286 ? 37.555 44.847 72.637 1.00 8.06 ? 286 PHE A CB 1 ATOM 2049 C CG . PHE A 1 286 ? 36.235 44.166 72.440 1.00 7.91 ? 286 PHE A CG 1 ATOM 2050 C CD1 . PHE A 1 286 ? 35.846 43.740 71.174 1.00 7.15 ? 286 PHE A CD1 1 ATOM 2051 C CD2 . PHE A 1 286 ? 35.348 44.020 73.500 1.00 7.87 ? 286 PHE A CD2 1 ATOM 2052 C CE1 . PHE A 1 286 ? 34.589 43.178 70.966 1.00 6.37 ? 286 PHE A CE1 1 ATOM 2053 C CE2 . PHE A 1 286 ? 34.088 43.462 73.302 1.00 7.33 ? 286 PHE A CE2 1 ATOM 2054 C CZ . PHE A 1 286 ? 33.709 43.042 72.034 1.00 9.12 ? 286 PHE A CZ 1 ATOM 2055 N N . GLY A 1 287 ? 35.273 47.047 72.332 1.00 9.31 ? 287 GLY A N 1 ATOM 2056 C CA . GLY A 1 287 ? 34.100 47.667 72.920 1.00 13.25 ? 287 GLY A CA 1 ATOM 2057 C C . GLY A 1 287 ? 32.869 47.123 72.213 1.00 12.81 ? 287 GLY A C 1 ATOM 2058 O O . GLY A 1 287 ? 32.896 46.930 70.996 1.00 11.84 ? 287 GLY A O 1 ATOM 2059 N N . LEU A 1 288 ? 31.792 46.872 72.955 1.00 12.07 ? 288 LEU A N 1 ATOM 2060 C CA . LEU A 1 288 ? 30.576 46.341 72.345 1.00 10.92 ? 288 LEU A CA 1 ATOM 2061 C C . LEU A 1 288 ? 30.019 47.228 71.238 1.00 14.58 ? 288 LEU A C 1 ATOM 2062 O O . LEU A 1 288 ? 29.528 46.724 70.231 1.00 11.00 ? 288 LEU A O 1 ATOM 2063 C CB . LEU A 1 288 ? 29.494 46.111 73.402 1.00 14.04 ? 288 LEU A CB 1 ATOM 2064 C CG . LEU A 1 288 ? 29.809 45.063 74.472 1.00 13.73 ? 288 LEU A CG 1 ATOM 2065 C CD1 . LEU A 1 288 ? 28.600 44.895 75.376 1.00 21.01 ? 288 LEU A CD1 1 ATOM 2066 C CD2 . LEU A 1 288 ? 30.163 43.732 73.813 1.00 17.47 ? 288 LEU A CD2 1 ATOM 2067 N N . GLU A 1 289 ? 30.081 48.545 71.420 1.00 14.58 ? 289 GLU A N 1 ATOM 2068 C CA . GLU A 1 289 ? 29.574 49.453 70.398 1.00 15.95 ? 289 GLU A CA 1 ATOM 2069 C C . GLU A 1 289 ? 30.379 49.333 69.107 1.00 15.45 ? 289 GLU A C 1 ATOM 2070 O O . GLU A 1 289 ? 29.812 49.299 68.016 1.00 17.22 ? 289 GLU A O 1 ATOM 2071 C CB . GLU A 1 289 ? 29.596 50.901 70.896 1.00 22.58 ? 289 GLU A CB 1 ATOM 2072 C CG . GLU A 1 289 ? 28.602 51.183 72.010 1.00 29.71 ? 289 GLU A CG 1 ATOM 2073 C CD . GLU A 1 289 ? 28.493 52.662 72.345 1.00 38.58 ? 289 GLU A CD 1 ATOM 2074 O OE1 . GLU A 1 289 ? 27.714 53.007 73.259 1.00 40.25 ? 289 GLU A OE1 1 ATOM 2075 O OE2 . GLU A 1 289 ? 29.182 53.478 71.696 1.00 40.90 ? 289 GLU A OE2 1 ATOM 2076 N N . LYS A 1 290 ? 31.700 49.266 69.228 1.00 13.02 ? 290 LYS A N 1 ATOM 2077 C CA . LYS A 1 290 ? 32.546 49.141 68.051 1.00 12.99 ? 290 LYS A CA 1 ATOM 2078 C C . LYS A 1 290 ? 32.461 47.739 67.455 1.00 10.21 ? 290 LYS A C 1 ATOM 2079 O O . LYS A 1 290 ? 32.725 47.546 66.268 1.00 8.02 ? 290 LYS A O 1 ATOM 2080 C CB . LYS A 1 290 ? 34.002 49.466 68.394 1.00 16.90 ? 290 LYS A CB 1 ATOM 2081 C CG . LYS A 1 290 ? 34.240 50.927 68.750 1.00 25.12 ? 290 LYS A CG 1 ATOM 2082 C CD . LYS A 1 290 ? 35.712 51.301 68.621 1.00 29.84 ? 290 LYS A CD 1 ATOM 2083 C CE . LYS A 1 290 ? 36.590 50.458 69.530 1.00 34.76 ? 290 LYS A CE 1 ATOM 2084 N NZ . LYS A 1 290 ? 38.039 50.780 69.370 1.00 38.98 ? 290 LYS A NZ 1 ATOM 2085 N N . ALA A 1 291 ? 32.085 46.764 68.279 1.00 10.90 ? 291 ALA A N 1 ATOM 2086 C CA . ALA A 1 291 ? 31.974 45.380 67.818 1.00 8.55 ? 291 ALA A CA 1 ATOM 2087 C C . ALA A 1 291 ? 30.986 45.213 66.662 1.00 10.95 ? 291 ALA A C 1 ATOM 2088 O O . ALA A 1 291 ? 31.127 44.297 65.852 1.00 8.73 ? 291 ALA A O 1 ATOM 2089 C CB . ALA A 1 291 ? 31.577 44.468 68.981 1.00 8.10 ? 291 ALA A CB 1 ATOM 2090 N N . VAL A 1 292 ? 29.991 46.093 66.580 1.00 9.24 ? 292 VAL A N 1 ATOM 2091 C CA . VAL A 1 292 ? 29.000 46.008 65.509 1.00 8.02 ? 292 VAL A CA 1 ATOM 2092 C C . VAL A 1 292 ? 29.134 47.143 64.502 1.00 10.50 ? 292 VAL A C 1 ATOM 2093 O O . VAL A 1 292 ? 28.256 47.343 63.664 1.00 12.78 ? 292 VAL A O 1 ATOM 2094 C CB . VAL A 1 292 ? 27.560 46.044 66.072 1.00 9.11 ? 292 VAL A CB 1 ATOM 2095 C CG1 . VAL A 1 292 ? 27.340 44.868 67.012 1.00 13.53 ? 292 VAL A CG1 1 ATOM 2096 C CG2 . VAL A 1 292 ? 27.312 47.362 66.795 1.00 12.64 ? 292 VAL A CG2 1 ATOM 2097 N N . LYS A 1 293 ? 30.240 47.875 64.579 1.00 11.30 ? 293 LYS A N 1 ATOM 2098 C CA . LYS A 1 293 ? 30.471 49.010 63.694 1.00 17.29 ? 293 LYS A CA 1 ATOM 2099 C C . LYS A 1 293 ? 31.114 48.619 62.366 1.00 18.53 ? 293 LYS A C 1 ATOM 2100 O O . LYS A 1 293 ? 32.147 47.949 62.335 1.00 17.76 ? 293 LYS A O 1 ATOM 2101 C CB . LYS A 1 293 ? 31.342 50.044 64.416 1.00 18.82 ? 293 LYS A CB 1 ATOM 2102 C CG . LYS A 1 293 ? 31.477 51.383 63.711 1.00 30.00 ? 293 LYS A CG 1 ATOM 2103 C CD . LYS A 1 293 ? 32.257 52.364 64.580 1.00 36.11 ? 293 LYS A CD 1 ATOM 2104 C CE . LYS A 1 293 ? 32.418 53.717 63.905 1.00 38.04 ? 293 LYS A CE 1 ATOM 2105 N NZ . LYS A 1 293 ? 33.155 54.679 64.775 1.00 44.10 ? 293 LYS A NZ 1 ATOM 2106 N N . GLY A 1 294 ? 30.482 49.040 61.275 1.00 21.33 ? 294 GLY A N 1 ATOM 2107 C CA . GLY A 1 294 ? 30.990 48.758 59.945 1.00 27.30 ? 294 GLY A CA 1 ATOM 2108 C C . GLY A 1 294 ? 31.368 47.317 59.658 1.00 28.37 ? 294 GLY A C 1 ATOM 2109 O O . GLY A 1 294 ? 32.507 47.036 59.284 1.00 31.87 ? 294 GLY A O 1 ATOM 2110 N N . LEU A 1 295 ? 30.422 46.400 59.833 1.00 22.37 ? 295 LEU A N 1 ATOM 2111 C CA . LEU A 1 295 ? 30.683 44.992 59.561 1.00 15.16 ? 295 LEU A CA 1 ATOM 2112 C C . LEU A 1 295 ? 30.507 44.759 58.063 1.00 13.39 ? 295 LEU A C 1 ATOM 2113 O O . LEU A 1 295 ? 29.544 45.237 57.462 1.00 16.30 ? 295 LEU A O 1 ATOM 2114 C CB . LEU A 1 295 ? 29.723 44.106 60.362 1.00 13.12 ? 295 LEU A CB 1 ATOM 2115 C CG . LEU A 1 295 ? 29.871 44.209 61.884 1.00 14.72 ? 295 LEU A CG 1 ATOM 2116 C CD1 . LEU A 1 295 ? 28.863 43.297 62.559 1.00 18.15 ? 295 LEU A CD1 1 ATOM 2117 C CD2 . LEU A 1 295 ? 31.286 43.828 62.296 1.00 20.40 ? 295 LEU A CD2 1 ATOM 2118 N N . PRO A 1 296 ? 31.446 44.029 57.439 1.00 11.01 ? 296 PRO A N 1 ATOM 2119 C CA . PRO A 1 296 ? 31.425 43.724 56.004 1.00 15.11 ? 296 PRO A CA 1 ATOM 2120 C C . PRO A 1 296 ? 30.497 42.584 55.590 1.00 12.79 ? 296 PRO A C 1 ATOM 2121 O O . PRO A 1 296 ? 30.191 42.425 54.409 1.00 14.18 ? 296 PRO A O 1 ATOM 2122 C CB . PRO A 1 296 ? 32.887 43.410 55.714 1.00 13.57 ? 296 PRO A CB 1 ATOM 2123 C CG . PRO A 1 296 ? 33.292 42.685 56.946 1.00 19.96 ? 296 PRO A CG 1 ATOM 2124 C CD . PRO A 1 296 ? 32.701 43.553 58.046 1.00 19.63 ? 296 PRO A CD 1 ATOM 2125 N N . ILE A 1 297 ? 30.061 41.788 56.562 1.00 8.27 ? 297 ILE A N 1 ATOM 2126 C CA . ILE A 1 297 ? 29.172 40.667 56.296 1.00 7.12 ? 297 ILE A CA 1 ATOM 2127 C C . ILE A 1 297 ? 28.069 40.638 57.350 1.00 8.49 ? 297 ILE A C 1 ATOM 2128 O O . ILE A 1 297 ? 28.185 41.267 58.401 1.00 8.36 ? 297 ILE A O 1 ATOM 2129 C CB . ILE A 1 297 ? 29.934 39.318 56.312 1.00 10.27 ? 297 ILE A CB 1 ATOM 2130 C CG1 . ILE A 1 297 ? 30.495 39.046 57.710 1.00 7.38 ? 297 ILE A CG1 1 ATOM 2131 C CG2 . ILE A 1 297 ? 31.054 39.343 55.273 1.00 9.91 ? 297 ILE A CG2 1 ATOM 2132 C CD1 . ILE A 1 297 ? 31.203 37.702 57.831 1.00 9.48 ? 297 ILE A CD1 1 ATOM 2133 N N . PRO A 1 298 ? 26.981 39.905 57.079 1.00 6.37 ? 298 PRO A N 1 ATOM 2134 C CA . PRO A 1 298 ? 25.856 39.808 58.012 1.00 7.92 ? 298 PRO A CA 1 ATOM 2135 C C . PRO A 1 298 ? 26.187 39.166 59.356 1.00 6.87 ? 298 PRO A C 1 ATOM 2136 O O . PRO A 1 298 ? 26.933 38.188 59.426 1.00 7.19 ? 298 PRO A O 1 ATOM 2137 C CB . PRO A 1 298 ? 24.830 38.986 57.232 1.00 9.55 ? 298 PRO A CB 1 ATOM 2138 C CG . PRO A 1 298 ? 25.155 39.301 55.800 1.00 16.24 ? 298 PRO A CG 1 ATOM 2139 C CD . PRO A 1 298 ? 26.657 39.237 55.807 1.00 12.01 ? 298 PRO A CD 1 ATOM 2140 N N . LEU A 1 299 ? 25.627 39.726 60.425 1.00 6.79 ? 299 LEU A N 1 ATOM 2141 C CA . LEU A 1 299 ? 25.834 39.180 61.762 1.00 5.21 ? 299 LEU A CA 1 ATOM 2142 C C . LEU A 1 299 ? 25.102 37.852 61.865 1.00 8.45 ? 299 LEU A C 1 ATOM 2143 O O . LEU A 1 299 ? 24.091 37.637 61.195 1.00 8.05 ? 299 LEU A O 1 ATOM 2144 C CB . LEU A 1 299 ? 25.264 40.122 62.827 1.00 6.18 ? 299 LEU A CB 1 ATOM 2145 C CG . LEU A 1 299 ? 26.083 41.317 63.311 1.00 8.88 ? 299 LEU A CG 1 ATOM 2146 C CD1 . LEU A 1 299 ? 25.190 42.227 64.149 1.00 9.56 ? 299 LEU A CD1 1 ATOM 2147 C CD2 . LEU A 1 299 ? 27.278 40.826 64.127 1.00 7.55 ? 299 LEU A CD2 1 ATOM 2148 N N . HIS A 1 300 ? 25.612 36.956 62.701 1.00 7.90 ? 300 HIS A N 1 ATOM 2149 C CA . HIS A 1 300 ? 24.940 35.683 62.903 1.00 8.29 ? 300 HIS A CA 1 ATOM 2150 C C . HIS A 1 300 ? 23.717 36.022 63.754 1.00 6.35 ? 300 HIS A C 1 ATOM 2151 O O . HIS A 1 300 ? 23.773 36.920 64.595 1.00 5.62 ? 300 HIS A O 1 ATOM 2152 C CB . HIS A 1 300 ? 25.845 34.702 63.658 1.00 5.49 ? 300 HIS A CB 1 ATOM 2153 C CG . HIS A 1 300 ? 25.287 33.315 63.742 1.00 7.86 ? 300 HIS A CG 1 ATOM 2154 N ND1 . HIS A 1 300 ? 24.209 32.991 64.539 1.00 8.54 ? 300 HIS A ND1 1 ATOM 2155 C CD2 . HIS A 1 300 ? 25.620 32.179 63.082 1.00 4.83 ? 300 HIS A CD2 1 ATOM 2156 C CE1 . HIS A 1 300 ? 23.898 31.721 64.362 1.00 7.40 ? 300 HIS A CE1 1 ATOM 2157 N NE2 . HIS A 1 300 ? 24.739 31.204 63.482 1.00 4.37 ? 300 HIS A NE2 1 ATOM 2158 N N . PRO A 1 301 ? 22.589 35.331 63.528 1.00 9.11 ? 301 PRO A N 1 ATOM 2159 C CA . PRO A 1 301 ? 21.363 35.579 64.296 1.00 8.79 ? 301 PRO A CA 1 ATOM 2160 C C . PRO A 1 301 ? 21.580 35.575 65.811 1.00 6.55 ? 301 PRO A C 1 ATOM 2161 O O . PRO A 1 301 ? 20.982 36.374 66.536 1.00 6.23 ? 301 PRO A O 1 ATOM 2162 C CB . PRO A 1 301 ? 20.446 34.452 63.835 1.00 8.14 ? 301 PRO A CB 1 ATOM 2163 C CG . PRO A 1 301 ? 20.813 34.331 62.387 1.00 13.25 ? 301 PRO A CG 1 ATOM 2164 C CD . PRO A 1 301 ? 22.331 34.398 62.415 1.00 11.44 ? 301 PRO A CD 1 ATOM 2165 N N . GLY A 1 302 ? 22.430 34.671 66.286 1.00 8.62 ? 302 GLY A N 1 ATOM 2166 C CA . GLY A 1 302 ? 22.703 34.591 67.712 1.00 5.82 ? 302 GLY A CA 1 ATOM 2167 C C . GLY A 1 302 ? 23.418 35.829 68.222 1.00 7.68 ? 302 GLY A C 1 ATOM 2168 O O . GLY A 1 302 ? 23.213 36.260 69.361 1.00 7.01 ? 302 GLY A O 1 ATOM 2169 N N . ALA A 1 303 ? 24.268 36.405 67.380 1.00 5.05 ? 303 ALA A N 1 ATOM 2170 C CA . ALA A 1 303 ? 24.998 37.605 67.760 1.00 6.92 ? 303 ALA A CA 1 ATOM 2171 C C . ALA A 1 303 ? 24.038 38.792 67.735 1.00 9.02 ? 303 ALA A C 1 ATOM 2172 O O . ALA A 1 303 ? 24.084 39.651 68.615 1.00 7.80 ? 303 ALA A O 1 ATOM 2173 C CB . ALA A 1 303 ? 26.168 37.841 66.806 1.00 7.47 ? 303 ALA A CB 1 ATOM 2174 N N . GLU A 1 304 ? 23.164 38.837 66.731 1.00 7.24 ? 304 GLU A N 1 ATOM 2175 C CA . GLU A 1 304 ? 22.196 39.927 66.634 1.00 8.55 ? 304 GLU A CA 1 ATOM 2176 C C . GLU A 1 304 ? 21.362 39.976 67.904 1.00 7.72 ? 304 GLU A C 1 ATOM 2177 O O . GLU A 1 304 ? 21.137 41.042 68.479 1.00 10.41 ? 304 GLU A O 1 ATOM 2178 C CB . GLU A 1 304 ? 21.260 39.733 65.442 1.00 9.20 ? 304 GLU A CB 1 ATOM 2179 C CG . GLU A 1 304 ? 21.909 39.889 64.086 1.00 15.66 ? 304 GLU A CG 1 ATOM 2180 C CD . GLU A 1 304 ? 20.897 40.228 63.010 1.00 24.55 ? 304 GLU A CD 1 ATOM 2181 O OE1 . GLU A 1 304 ? 19.865 39.527 62.916 1.00 24.07 ? 304 GLU A OE1 1 ATOM 2182 O OE2 . GLU A 1 304 ? 21.133 41.194 62.258 1.00 20.33 ? 304 GLU A OE2 1 ATOM 2183 N N . ARG A 1 305 ? 20.894 38.811 68.335 1.00 8.55 ? 305 ARG A N 1 ATOM 2184 C CA . ARG A 1 305 ? 20.086 38.719 69.544 1.00 9.95 ? 305 ARG A CA 1 ATOM 2185 C C . ARG A 1 305 ? 20.858 39.246 70.752 1.00 9.54 ? 305 ARG A C 1 ATOM 2186 O O . ARG A 1 305 ? 20.319 40.000 71.562 1.00 8.08 ? 305 ARG A O 1 ATOM 2187 C CB . ARG A 1 305 ? 19.670 37.269 69.781 1.00 7.46 ? 305 ARG A CB 1 ATOM 2188 C CG . ARG A 1 305 ? 18.891 37.062 71.062 1.00 9.08 ? 305 ARG A CG 1 ATOM 2189 C CD . ARG A 1 305 ? 18.543 35.606 71.248 1.00 14.13 ? 305 ARG A CD 1 ATOM 2190 N NE . ARG A 1 305 ? 17.972 35.368 72.568 1.00 17.33 ? 305 ARG A NE 1 ATOM 2191 C CZ . ARG A 1 305 ? 17.729 34.164 73.069 1.00 14.54 ? 305 ARG A CZ 1 ATOM 2192 N NH1 . ARG A 1 305 ? 18.005 33.078 72.360 1.00 14.95 ? 305 ARG A NH1 1 ATOM 2193 N NH2 . ARG A 1 305 ? 17.214 34.046 74.285 1.00 21.26 ? 305 ARG A NH2 1 ATOM 2194 N N . PHE A 1 306 ? 22.120 38.845 70.873 1.00 9.11 ? 306 PHE A N 1 ATOM 2195 C CA . PHE A 1 306 ? 22.965 39.298 71.975 1.00 10.65 ? 306 PHE A CA 1 ATOM 2196 C C . PHE A 1 306 ? 23.104 40.821 71.982 1.00 8.22 ? 306 PHE A C 1 ATOM 2197 O O . PHE A 1 306 ? 22.897 41.473 73.007 1.00 9.16 ? 306 PHE A O 1 ATOM 2198 C CB . PHE A 1 306 ? 24.362 38.682 71.865 1.00 7.88 ? 306 PHE A CB 1 ATOM 2199 C CG . PHE A 1 306 ? 25.334 39.203 72.891 1.00 6.87 ? 306 PHE A CG 1 ATOM 2200 C CD1 . PHE A 1 306 ? 25.298 38.741 74.203 1.00 8.61 ? 306 PHE A CD1 1 ATOM 2201 C CD2 . PHE A 1 306 ? 26.271 40.174 72.548 1.00 10.39 ? 306 PHE A CD2 1 ATOM 2202 C CE1 . PHE A 1 306 ? 26.184 39.239 75.159 1.00 10.40 ? 306 PHE A CE1 1 ATOM 2203 C CE2 . PHE A 1 306 ? 27.160 40.680 73.496 1.00 10.21 ? 306 PHE A CE2 1 ATOM 2204 C CZ . PHE A 1 306 ? 27.116 40.211 74.803 1.00 10.30 ? 306 PHE A CZ 1 ATOM 2205 N N . TYR A 1 307 ? 23.469 41.381 70.832 1.00 4.52 ? 307 TYR A N 1 ATOM 2206 C CA . TYR A 1 307 ? 23.655 42.822 70.713 1.00 6.24 ? 307 TYR A CA 1 ATOM 2207 C C . TYR A 1 307 ? 22.372 43.617 70.929 1.00 8.25 ? 307 TYR A C 1 ATOM 2208 O O . TYR A 1 307 ? 22.411 44.727 71.457 1.00 11.58 ? 307 TYR A O 1 ATOM 2209 C CB . TYR A 1 307 ? 24.268 43.154 69.355 1.00 6.65 ? 307 TYR A CB 1 ATOM 2210 C CG . TYR A 1 307 ? 25.709 42.715 69.231 1.00 6.81 ? 307 TYR A CG 1 ATOM 2211 C CD1 . TYR A 1 307 ? 26.123 41.898 68.180 1.00 7.80 ? 307 TYR A CD1 1 ATOM 2212 C CD2 . TYR A 1 307 ? 26.664 43.126 70.163 1.00 8.34 ? 307 TYR A CD2 1 ATOM 2213 C CE1 . TYR A 1 307 ? 27.453 41.501 68.056 1.00 7.27 ? 307 TYR A CE1 1 ATOM 2214 C CE2 . TYR A 1 307 ? 27.996 42.736 70.048 1.00 7.66 ? 307 TYR A CE2 1 ATOM 2215 C CZ . TYR A 1 307 ? 28.384 41.925 68.994 1.00 8.18 ? 307 TYR A CZ 1 ATOM 2216 O OH . TYR A 1 307 ? 29.700 41.543 68.880 1.00 9.62 ? 307 TYR A OH 1 ATOM 2217 N N . LYS A 1 308 ? 21.239 43.056 70.521 1.00 10.00 ? 308 LYS A N 1 ATOM 2218 C CA . LYS A 1 308 ? 19.953 43.723 70.717 1.00 11.96 ? 308 LYS A CA 1 ATOM 2219 C C . LYS A 1 308 ? 19.652 43.798 72.212 1.00 11.74 ? 308 LYS A C 1 ATOM 2220 O O . LYS A 1 308 ? 19.224 44.833 72.727 1.00 12.16 ? 308 LYS A O 1 ATOM 2221 C CB . LYS A 1 308 ? 18.839 42.943 70.013 1.00 10.53 ? 308 LYS A CB 1 ATOM 2222 C CG . LYS A 1 308 ? 18.708 43.244 68.532 1.00 13.79 ? 308 LYS A CG 1 ATOM 2223 C CD . LYS A 1 308 ? 17.873 44.497 68.297 1.00 19.84 ? 308 LYS A CD 1 ATOM 2224 C CE . LYS A 1 308 ? 16.438 44.286 68.763 1.00 21.83 ? 308 LYS A CE 1 ATOM 2225 N NZ . LYS A 1 308 ? 15.536 45.410 68.381 1.00 17.66 ? 308 LYS A NZ 1 ATOM 2226 N N . GLU A 1 309 ? 19.885 42.689 72.904 1.00 10.19 ? 309 GLU A N 1 ATOM 2227 C CA . GLU A 1 309 ? 19.649 42.613 74.340 1.00 12.69 ? 309 GLU A CA 1 ATOM 2228 C C . GLU A 1 309 ? 20.614 43.503 75.111 1.00 17.57 ? 309 GLU A C 1 ATOM 2229 O O . GLU A 1 309 ? 20.272 44.030 76.170 1.00 19.34 ? 309 GLU A O 1 ATOM 2230 C CB . GLU A 1 309 ? 19.778 41.164 74.815 1.00 13.88 ? 309 GLU A CB 1 ATOM 2231 C CG . GLU A 1 309 ? 18.552 40.317 74.525 1.00 15.59 ? 309 GLU A CG 1 ATOM 2232 C CD . GLU A 1 309 ? 18.761 38.847 74.838 1.00 19.47 ? 309 GLU A CD 1 ATOM 2233 O OE1 . GLU A 1 309 ? 19.580 38.531 75.729 1.00 21.96 ? 309 GLU A OE1 1 ATOM 2234 O OE2 . GLU A 1 309 ? 18.094 38.007 74.201 1.00 21.47 ? 309 GLU A OE2 1 ATOM 2235 N N . ALA A 1 310 ? 21.818 43.676 74.575 1.00 14.26 ? 310 ALA A N 1 ATOM 2236 C CA . ALA A 1 310 ? 22.825 44.510 75.224 1.00 17.88 ? 310 ALA A CA 1 ATOM 2237 C C . ALA A 1 310 ? 22.572 45.995 74.973 1.00 18.93 ? 310 ALA A C 1 ATOM 2238 O O . ALA A 1 310 ? 23.212 46.854 75.584 1.00 20.57 ? 310 ALA A O 1 ATOM 2239 C CB . ALA A 1 310 ? 24.210 44.128 74.729 1.00 19.12 ? 310 ALA A CB 1 ATOM 2240 N N . GLY A 1 311 ? 21.639 46.292 74.072 1.00 17.01 ? 311 GLY A N 1 ATOM 2241 C CA . GLY A 1 311 ? 21.323 47.672 73.752 1.00 18.69 ? 311 GLY A CA 1 ATOM 2242 C C . GLY A 1 311 ? 22.280 48.253 72.727 1.00 21.30 ? 311 GLY A C 1 ATOM 2243 O O . GLY A 1 311 ? 22.200 49.436 72.392 1.00 19.86 ? 311 GLY A O 1 ATOM 2244 N N . VAL A 1 312 ? 23.185 47.412 72.234 1.00 19.31 ? 312 VAL A N 1 ATOM 2245 C CA . VAL A 1 312 ? 24.180 47.808 71.241 1.00 21.41 ? 312 VAL A CA 1 ATOM 2246 C C . VAL A 1 312 ? 23.530 48.017 69.877 1.00 21.39 ? 312 VAL A C 1 ATOM 2247 O O . VAL A 1 312 ? 23.949 48.880 69.105 1.00 24.34 ? 312 VAL A O 1 ATOM 2248 C CB . VAL A 1 312 ? 25.282 46.731 71.106 1.00 23.76 ? 312 VAL A CB 1 ATOM 2249 C CG1 . VAL A 1 312 ? 26.297 47.150 70.064 1.00 24.80 ? 312 VAL A CG1 1 ATOM 2250 C CG2 . VAL A 1 312 ? 25.955 46.507 72.446 1.00 30.26 ? 312 VAL A CG2 1 ATOM 2251 N N . LEU A 1 313 ? 22.519 47.206 69.580 1.00 20.07 ? 313 LEU A N 1 ATOM 2252 C CA . LEU A 1 313 ? 21.787 47.309 68.320 1.00 22.80 ? 313 LEU A CA 1 ATOM 2253 C C . LEU A 1 313 ? 20.349 47.714 68.620 1.00 25.64 ? 313 LEU A C 1 ATOM 2254 O O . LEU A 1 313 ? 19.913 47.489 69.767 1.00 27.56 ? 313 LEU A O 1 ATOM 2255 C CB . LEU A 1 313 ? 21.778 45.967 67.582 1.00 21.85 ? 313 LEU A CB 1 ATOM 2256 C CG . LEU A 1 313 ? 23.066 45.483 66.922 1.00 20.33 ? 313 LEU A CG 1 ATOM 2257 C CD1 . LEU A 1 313 ? 22.816 44.138 66.250 1.00 24.37 ? 313 LEU A CD1 1 ATOM 2258 C CD2 . LEU A 1 313 ? 23.535 46.510 65.903 1.00 26.42 ? 313 LEU A CD2 1 ATOM 2259 N N . LYS A 1 314 ? 19.674 48.229 67.703 1.00 32.70 ? 314 LYS A N 1 HETATM 2260 N N . GLU B 2 . ? 45.306 38.740 59.917 1.00 5.93 ? 1313 GLU A N 1 HETATM 2261 C CA . GLU B 2 . ? 46.379 37.747 59.623 1.00 5.54 ? 1313 GLU A CA 1 HETATM 2262 C C . GLU B 2 . ? 45.978 36.830 58.468 1.00 5.70 ? 1313 GLU A C 1 HETATM 2263 O O . GLU B 2 . ? 44.760 36.664 58.234 1.00 7.44 ? 1313 GLU A O 1 HETATM 2264 C CB . GLU B 2 . ? 46.668 36.915 60.875 1.00 5.49 ? 1313 GLU A CB 1 HETATM 2265 C CG . GLU B 2 . ? 47.130 37.752 62.067 1.00 3.39 ? 1313 GLU A CG 1 HETATM 2266 C CD . GLU B 2 . ? 47.241 36.946 63.347 1.00 4.67 ? 1313 GLU A CD 1 HETATM 2267 O OE1 . GLU B 2 . ? 47.423 35.713 63.264 1.00 4.82 ? 1313 GLU A OE1 1 HETATM 2268 O OE2 . GLU B 2 . ? 47.160 37.547 64.437 1.00 4.47 ? 1313 GLU A OE2 1 HETATM 2269 O OXT . GLU B 2 . ? 46.887 36.290 57.812 1.00 9.68 ? 1313 GLU A OXT 1 HETATM 2270 C C1 . EDO C 3 . ? 54.254 36.589 58.710 1.00 12.07 ? 1314 EDO A C1 1 HETATM 2271 O O1 . EDO C 3 . ? 53.176 37.121 57.940 1.00 6.91 ? 1314 EDO A O1 1 HETATM 2272 C C2 . EDO C 3 . ? 54.622 35.199 58.225 1.00 16.44 ? 1314 EDO A C2 1 HETATM 2273 O O2 . EDO C 3 . ? 53.479 34.328 58.274 1.00 16.80 ? 1314 EDO A O2 1 HETATM 2274 O O . HOH D 4 . ? 34.017 16.936 75.903 1.00 38.47 ? 2001 HOH A O 1 HETATM 2275 O O . HOH D 4 . ? 25.342 23.240 72.828 1.00 33.21 ? 2002 HOH A O 1 HETATM 2276 O O . HOH D 4 . ? 24.568 24.581 66.515 1.00 15.33 ? 2003 HOH A O 1 HETATM 2277 O O . HOH D 4 . ? 28.102 22.426 65.865 1.00 28.10 ? 2004 HOH A O 1 HETATM 2278 O O . HOH D 4 . ? 29.472 18.891 68.072 1.00 16.97 ? 2005 HOH A O 1 HETATM 2279 O O . HOH D 4 . ? 38.772 20.160 63.974 1.00 23.81 ? 2006 HOH A O 1 HETATM 2280 O O . HOH D 4 . ? 47.762 34.088 65.404 1.00 6.74 ? 2007 HOH A O 1 HETATM 2281 O O . HOH D 4 . ? 49.850 31.715 59.938 1.00 12.16 ? 2008 HOH A O 1 HETATM 2282 O O . HOH D 4 . ? 52.222 25.716 64.347 1.00 25.10 ? 2009 HOH A O 1 HETATM 2283 O O . HOH D 4 . ? 52.160 28.583 63.966 1.00 11.77 ? 2010 HOH A O 1 HETATM 2284 O O . HOH D 4 . ? 51.625 36.621 70.242 1.00 17.36 ? 2011 HOH A O 1 HETATM 2285 O O . HOH D 4 . ? 47.402 26.087 73.607 1.00 30.66 ? 2012 HOH A O 1 HETATM 2286 O O . HOH D 4 . ? 41.091 24.973 75.771 1.00 26.76 ? 2013 HOH A O 1 HETATM 2287 O O . HOH D 4 . ? 45.289 33.098 75.392 1.00 19.87 ? 2014 HOH A O 1 HETATM 2288 O O . HOH D 4 . ? 26.915 32.335 80.229 1.00 15.49 ? 2015 HOH A O 1 HETATM 2289 O O . HOH D 4 . ? 42.088 26.954 74.479 1.00 23.97 ? 2016 HOH A O 1 HETATM 2290 O O . HOH D 4 . ? 45.155 26.583 71.875 1.00 18.62 ? 2017 HOH A O 1 HETATM 2291 O O . HOH D 4 . ? 40.665 33.433 78.505 1.00 9.95 ? 2018 HOH A O 1 HETATM 2292 O O . HOH D 4 . ? 43.033 23.062 73.071 1.00 17.76 ? 2019 HOH A O 1 HETATM 2293 O O . HOH D 4 . ? 44.609 31.189 77.068 1.00 16.83 ? 2020 HOH A O 1 HETATM 2294 O O . HOH D 4 . ? 30.751 25.722 77.849 1.00 10.46 ? 2021 HOH A O 1 HETATM 2295 O O . HOH D 4 . ? 38.897 24.117 51.872 1.00 18.98 ? 2022 HOH A O 1 HETATM 2296 O O . HOH D 4 . ? 34.551 28.642 48.089 1.00 16.68 ? 2023 HOH A O 1 HETATM 2297 O O . HOH D 4 . ? 41.936 24.738 50.538 1.00 21.13 ? 2024 HOH A O 1 HETATM 2298 O O . HOH D 4 . ? 44.961 27.863 52.524 1.00 17.98 ? 2025 HOH A O 1 HETATM 2299 O O . HOH D 4 . ? 39.486 24.643 78.280 1.00 15.99 ? 2026 HOH A O 1 HETATM 2300 O O . HOH D 4 . ? 39.223 26.475 80.313 1.00 19.33 ? 2027 HOH A O 1 HETATM 2301 O O . HOH D 4 . ? 36.532 24.884 82.630 1.00 29.75 ? 2028 HOH A O 1 HETATM 2302 O O . HOH D 4 . ? 37.025 18.333 60.167 1.00 21.46 ? 2029 HOH A O 1 HETATM 2303 O O . HOH D 4 . ? 27.937 30.806 82.199 1.00 14.65 ? 2030 HOH A O 1 HETATM 2304 O O . HOH D 4 . ? 26.010 27.175 82.773 1.00 23.54 ? 2031 HOH A O 1 HETATM 2305 O O . HOH D 4 . ? 25.224 20.981 74.032 1.00 29.79 ? 2032 HOH A O 1 HETATM 2306 O O . HOH D 4 . ? 33.507 22.544 77.787 1.00 24.56 ? 2033 HOH A O 1 HETATM 2307 O O . HOH D 4 . ? 35.869 22.057 78.991 1.00 33.59 ? 2034 HOH A O 1 HETATM 2308 O O . HOH D 4 . ? 40.443 20.961 66.069 1.00 14.15 ? 2035 HOH A O 1 HETATM 2309 O O . HOH D 4 . ? 36.490 21.468 70.562 1.00 8.97 ? 2036 HOH A O 1 HETATM 2310 O O . HOH D 4 . ? 42.664 25.700 72.330 1.00 13.48 ? 2037 HOH A O 1 HETATM 2311 O O . HOH D 4 . ? 43.492 22.853 69.965 1.00 27.18 ? 2038 HOH A O 1 HETATM 2312 O O . HOH D 4 . ? 44.765 22.416 67.798 1.00 26.58 ? 2039 HOH A O 1 HETATM 2313 O O . HOH D 4 . ? 40.640 19.173 62.210 1.00 26.31 ? 2040 HOH A O 1 HETATM 2314 O O . HOH D 4 . ? 38.505 52.466 61.381 1.00 21.31 ? 2041 HOH A O 1 HETATM 2315 O O . HOH D 4 . ? 43.485 53.614 66.975 1.00 24.97 ? 2042 HOH A O 1 HETATM 2316 O O . HOH D 4 . ? 42.403 57.291 64.966 1.00 27.61 ? 2043 HOH A O 1 HETATM 2317 O O . HOH D 4 . ? 49.514 25.946 62.162 1.00 18.71 ? 2044 HOH A O 1 HETATM 2318 O O . HOH D 4 . ? 46.570 24.311 66.975 1.00 9.88 ? 2045 HOH A O 1 HETATM 2319 O O . HOH D 4 . ? 50.159 28.416 61.701 1.00 15.04 ? 2046 HOH A O 1 HETATM 2320 O O . HOH D 4 . ? 48.834 34.411 58.970 1.00 5.96 ? 2047 HOH A O 1 HETATM 2321 O O . HOH D 4 . ? 41.744 25.844 54.949 1.00 10.53 ? 2048 HOH A O 1 HETATM 2322 O O . HOH D 4 . ? 42.546 26.624 52.541 1.00 14.31 ? 2049 HOH A O 1 HETATM 2323 O O . HOH D 4 . ? 36.023 25.739 51.323 1.00 16.30 ? 2050 HOH A O 1 HETATM 2324 O O . HOH D 4 . ? 35.873 28.379 50.407 1.00 14.61 ? 2051 HOH A O 1 HETATM 2325 O O . HOH D 4 . ? 42.472 29.056 48.630 1.00 31.37 ? 2052 HOH A O 1 HETATM 2326 O O . HOH D 4 . ? 29.693 27.896 49.645 1.00 25.67 ? 2053 HOH A O 1 HETATM 2327 O O . HOH D 4 . ? 31.855 25.146 48.377 1.00 28.08 ? 2054 HOH A O 1 HETATM 2328 O O . HOH D 4 . ? 34.012 18.979 56.439 1.00 23.82 ? 2055 HOH A O 1 HETATM 2329 O O . HOH D 4 . ? 39.819 23.902 54.349 1.00 13.50 ? 2056 HOH A O 1 HETATM 2330 O O . HOH D 4 . ? 39.136 18.253 58.506 1.00 24.97 ? 2057 HOH A O 1 HETATM 2331 O O . HOH D 4 . ? 51.004 37.062 43.544 1.00 18.94 ? 2058 HOH A O 1 HETATM 2332 O O . HOH D 4 . ? 31.520 24.969 59.483 1.00 22.27 ? 2059 HOH A O 1 HETATM 2333 O O . HOH D 4 . ? 34.100 20.685 62.415 1.00 26.53 ? 2060 HOH A O 1 HETATM 2334 O O . HOH D 4 . ? 42.180 44.566 51.084 1.00 8.81 ? 2061 HOH A O 1 HETATM 2335 O O . HOH D 4 . ? 23.514 39.887 52.729 1.00 37.01 ? 2062 HOH A O 1 HETATM 2336 O O . HOH D 4 . ? 31.251 39.243 43.005 1.00 31.92 ? 2063 HOH A O 1 HETATM 2337 O O . HOH D 4 . ? 51.096 44.400 73.939 1.00 35.49 ? 2064 HOH A O 1 HETATM 2338 O O . HOH D 4 . ? 31.572 35.831 42.153 1.00 19.27 ? 2065 HOH A O 1 HETATM 2339 O O . HOH D 4 . ? 39.476 29.752 48.403 1.00 21.31 ? 2066 HOH A O 1 HETATM 2340 O O . HOH D 4 . ? 38.464 31.712 43.175 1.00 9.80 ? 2067 HOH A O 1 HETATM 2341 O O . HOH D 4 . ? 37.750 32.791 39.388 1.00 15.93 ? 2068 HOH A O 1 HETATM 2342 O O . HOH D 4 . ? 34.199 36.021 38.500 1.00 23.06 ? 2069 HOH A O 1 HETATM 2343 O O . HOH D 4 . ? 33.377 39.715 41.071 1.00 24.75 ? 2070 HOH A O 1 HETATM 2344 O O . HOH D 4 . ? 36.035 41.260 41.501 1.00 27.13 ? 2071 HOH A O 1 HETATM 2345 O O . HOH D 4 . ? 51.889 58.570 55.233 1.00 21.75 ? 2072 HOH A O 1 HETATM 2346 O O . HOH D 4 . ? 31.474 32.067 38.704 1.00 33.65 ? 2073 HOH A O 1 HETATM 2347 O O . HOH D 4 . ? 35.456 30.853 46.508 1.00 12.29 ? 2074 HOH A O 1 HETATM 2348 O O . HOH D 4 . ? 31.747 28.998 48.254 1.00 14.42 ? 2075 HOH A O 1 HETATM 2349 O O . HOH D 4 . ? 28.759 30.387 45.929 1.00 25.38 ? 2076 HOH A O 1 HETATM 2350 O O . HOH D 4 . ? 24.443 37.882 49.702 1.00 37.35 ? 2077 HOH A O 1 HETATM 2351 O O . HOH D 4 . ? 27.911 30.010 49.594 1.00 17.70 ? 2078 HOH A O 1 HETATM 2352 O O . HOH D 4 . ? 39.072 49.666 60.336 1.00 19.62 ? 2079 HOH A O 1 HETATM 2353 O O . HOH D 4 . ? 44.147 55.024 64.590 1.00 26.01 ? 2080 HOH A O 1 HETATM 2354 O O . HOH D 4 . ? 42.264 51.489 63.096 1.00 16.88 ? 2081 HOH A O 1 HETATM 2355 O O . HOH D 4 . ? 52.254 52.783 73.305 1.00 32.08 ? 2082 HOH A O 1 HETATM 2356 O O . HOH D 4 . ? 35.543 46.214 68.980 1.00 13.78 ? 2083 HOH A O 1 HETATM 2357 O O . HOH D 4 . ? 56.853 59.712 68.845 1.00 22.08 ? 2084 HOH A O 1 HETATM 2358 O O . HOH D 4 . ? 37.601 47.405 67.662 1.00 32.34 ? 2085 HOH A O 1 HETATM 2359 O O . HOH D 4 . ? 46.435 46.406 67.092 1.00 5.81 ? 2086 HOH A O 1 HETATM 2360 O O . HOH D 4 . ? 45.860 40.017 64.475 1.00 2.59 ? 2087 HOH A O 1 HETATM 2361 O O . HOH D 4 . ? 19.641 26.154 63.139 1.00 34.68 ? 2088 HOH A O 1 HETATM 2362 O O . HOH D 4 . ? 18.133 25.318 68.675 1.00 36.22 ? 2089 HOH A O 1 HETATM 2363 O O . HOH D 4 . ? 67.279 48.089 55.604 1.00 13.31 ? 2090 HOH A O 1 HETATM 2364 O O . HOH D 4 . ? 70.958 48.686 54.829 1.00 19.16 ? 2091 HOH A O 1 HETATM 2365 O O . HOH D 4 . ? 29.764 33.615 85.096 1.00 31.51 ? 2092 HOH A O 1 HETATM 2366 O O . HOH D 4 . ? 69.906 44.206 60.456 1.00 21.91 ? 2093 HOH A O 1 HETATM 2367 O O . HOH D 4 . ? 75.304 42.874 57.339 1.00 34.08 ? 2094 HOH A O 1 HETATM 2368 O O . HOH D 4 . ? 46.363 44.595 78.734 1.00 30.92 ? 2095 HOH A O 1 HETATM 2369 O O . HOH D 4 . ? 69.644 42.900 50.845 1.00 30.99 ? 2096 HOH A O 1 HETATM 2370 O O . HOH D 4 . ? 67.975 48.210 47.826 1.00 16.27 ? 2097 HOH A O 1 HETATM 2371 O O . HOH D 4 . ? 44.944 49.487 77.202 1.00 23.09 ? 2098 HOH A O 1 HETATM 2372 O O . HOH D 4 . ? 64.265 50.117 57.190 1.00 22.75 ? 2099 HOH A O 1 HETATM 2373 O O . HOH D 4 . ? 62.381 51.960 57.074 1.00 21.85 ? 2100 HOH A O 1 HETATM 2374 O O . HOH D 4 . ? 59.644 53.773 55.026 1.00 9.02 ? 2101 HOH A O 1 HETATM 2375 O O . HOH D 4 . ? 68.925 50.306 55.244 1.00 27.79 ? 2102 HOH A O 1 HETATM 2376 O O . HOH D 4 . ? 29.924 47.554 77.364 1.00 34.96 ? 2103 HOH A O 1 HETATM 2377 O O . HOH D 4 . ? 61.316 49.787 43.224 1.00 24.67 ? 2104 HOH A O 1 HETATM 2378 O O . HOH D 4 . ? 64.997 54.124 49.657 1.00 13.70 ? 2105 HOH A O 1 HETATM 2379 O O . HOH D 4 . ? 20.677 45.376 61.321 1.00 29.77 ? 2106 HOH A O 1 HETATM 2380 O O . HOH D 4 . ? 67.979 39.988 43.531 1.00 39.03 ? 2107 HOH A O 1 HETATM 2381 O O . HOH D 4 . ? 68.414 43.756 45.755 1.00 24.38 ? 2108 HOH A O 1 HETATM 2382 O O . HOH D 4 . ? 14.252 36.513 72.646 1.00 20.85 ? 2109 HOH A O 1 HETATM 2383 O O . HOH D 4 . ? 69.123 33.121 50.184 1.00 26.87 ? 2110 HOH A O 1 HETATM 2384 O O . HOH D 4 . ? 51.491 27.837 59.213 1.00 16.60 ? 2111 HOH A O 1 HETATM 2385 O O . HOH D 4 . ? 53.127 27.379 56.031 1.00 20.51 ? 2112 HOH A O 1 HETATM 2386 O O . HOH D 4 . ? 48.358 27.303 55.616 1.00 20.57 ? 2113 HOH A O 1 HETATM 2387 O O . HOH D 4 . ? 49.353 36.262 45.828 1.00 17.43 ? 2114 HOH A O 1 HETATM 2388 O O . HOH D 4 . ? 44.157 35.008 46.842 1.00 15.63 ? 2115 HOH A O 1 HETATM 2389 O O . HOH D 4 . ? 46.836 33.680 51.164 1.00 21.42 ? 2116 HOH A O 1 HETATM 2390 O O . HOH D 4 . ? 43.821 41.662 45.261 1.00 13.88 ? 2117 HOH A O 1 HETATM 2391 O O . HOH D 4 . ? 52.055 42.781 43.807 1.00 19.01 ? 2118 HOH A O 1 HETATM 2392 O O . HOH D 4 . ? 46.508 45.965 37.900 1.00 50.66 ? 2119 HOH A O 1 HETATM 2393 O O . HOH D 4 . ? 47.291 47.061 44.195 1.00 31.02 ? 2120 HOH A O 1 HETATM 2394 O O . HOH D 4 . ? 56.221 55.527 51.379 1.00 25.65 ? 2121 HOH A O 1 HETATM 2395 O O . HOH D 4 . ? 59.011 50.386 42.097 1.00 26.07 ? 2122 HOH A O 1 HETATM 2396 O O . HOH D 4 . ? 54.741 40.532 37.740 1.00 26.52 ? 2123 HOH A O 1 HETATM 2397 O O . HOH D 4 . ? 52.580 38.836 42.405 1.00 21.90 ? 2124 HOH A O 1 HETATM 2398 O O . HOH D 4 . ? 59.896 36.079 43.139 1.00 25.96 ? 2125 HOH A O 1 HETATM 2399 O O . HOH D 4 . ? 57.108 37.728 35.593 1.00 29.39 ? 2126 HOH A O 1 HETATM 2400 O O . HOH D 4 . ? 53.667 38.153 37.858 1.00 14.18 ? 2127 HOH A O 1 HETATM 2401 O O . HOH D 4 . ? 57.000 35.105 42.534 1.00 32.83 ? 2128 HOH A O 1 HETATM 2402 O O . HOH D 4 . ? 53.975 38.053 40.520 1.00 18.25 ? 2129 HOH A O 1 HETATM 2403 O O . HOH D 4 . ? 59.853 33.365 44.822 1.00 23.06 ? 2130 HOH A O 1 HETATM 2404 O O . HOH D 4 . ? 57.632 29.776 50.127 1.00 16.18 ? 2131 HOH A O 1 HETATM 2405 O O . HOH D 4 . ? 54.903 27.179 53.928 1.00 22.28 ? 2132 HOH A O 1 HETATM 2406 O O . HOH D 4 . ? 55.125 34.103 44.057 1.00 34.51 ? 2133 HOH A O 1 HETATM 2407 O O . HOH D 4 . ? 55.524 27.286 62.459 1.00 18.62 ? 2134 HOH A O 1 HETATM 2408 O O . HOH D 4 . ? 57.400 29.831 67.928 1.00 23.31 ? 2135 HOH A O 1 HETATM 2409 O O . HOH D 4 . ? 60.752 31.295 65.587 1.00 13.22 ? 2136 HOH A O 1 HETATM 2410 O O . HOH D 4 . ? 54.070 30.631 64.045 1.00 14.25 ? 2137 HOH A O 1 HETATM 2411 O O . HOH D 4 . ? 56.973 25.754 55.505 1.00 25.19 ? 2138 HOH A O 1 HETATM 2412 O O . HOH D 4 . ? 67.979 34.427 66.903 1.00 19.90 ? 2139 HOH A O 1 HETATM 2413 O O . HOH D 4 . ? 72.390 30.626 62.761 1.00 24.20 ? 2140 HOH A O 1 HETATM 2414 O O . HOH D 4 . ? 73.469 33.694 59.023 1.00 15.50 ? 2141 HOH A O 1 HETATM 2415 O O . HOH D 4 . ? 72.113 33.227 56.155 1.00 19.26 ? 2142 HOH A O 1 HETATM 2416 O O . HOH D 4 . ? 68.851 40.085 49.121 1.00 25.38 ? 2143 HOH A O 1 HETATM 2417 O O . HOH D 4 . ? 50.616 42.360 54.863 1.00 12.47 ? 2144 HOH A O 1 HETATM 2418 O O . HOH D 4 . ? 49.162 44.381 72.246 1.00 33.80 ? 2145 HOH A O 1 HETATM 2419 O O . HOH D 4 . ? 51.063 41.938 73.054 1.00 17.17 ? 2146 HOH A O 1 HETATM 2420 O O . HOH D 4 . ? 51.995 46.340 72.053 1.00 22.11 ? 2147 HOH A O 1 HETATM 2421 O O . HOH D 4 . ? 54.566 33.630 72.040 1.00 27.49 ? 2148 HOH A O 1 HETATM 2422 O O . HOH D 4 . ? 54.636 45.292 71.842 1.00 16.13 ? 2149 HOH A O 1 HETATM 2423 O O . HOH D 4 . ? 53.152 38.893 73.437 1.00 24.60 ? 2150 HOH A O 1 HETATM 2424 O O . HOH D 4 . ? 56.801 38.270 73.121 1.00 22.70 ? 2151 HOH A O 1 HETATM 2425 O O . HOH D 4 . ? 63.478 36.617 71.207 1.00 33.70 ? 2152 HOH A O 1 HETATM 2426 O O . HOH D 4 . ? 59.336 31.740 67.914 1.00 27.71 ? 2153 HOH A O 1 HETATM 2427 O O . HOH D 4 . ? 59.429 38.635 73.124 1.00 29.70 ? 2154 HOH A O 1 HETATM 2428 O O . HOH D 4 . ? 67.702 42.934 73.020 1.00 17.35 ? 2155 HOH A O 1 HETATM 2429 O O . HOH D 4 . ? 61.705 51.718 62.029 1.00 9.17 ? 2156 HOH A O 1 HETATM 2430 O O . HOH D 4 . ? 55.145 48.735 58.851 1.00 8.71 ? 2157 HOH A O 1 HETATM 2431 O O . HOH D 4 . ? 57.698 52.782 52.030 1.00 12.34 ? 2158 HOH A O 1 HETATM 2432 O O . HOH D 4 . ? 50.633 56.147 55.793 1.00 24.84 ? 2159 HOH A O 1 HETATM 2433 O O . HOH D 4 . ? 56.269 58.440 52.052 1.00 26.31 ? 2160 HOH A O 1 HETATM 2434 O O . HOH D 4 . ? 51.791 61.073 50.849 1.00 32.57 ? 2161 HOH A O 1 HETATM 2435 O O . HOH D 4 . ? 49.535 53.902 43.924 1.00 26.23 ? 2162 HOH A O 1 HETATM 2436 O O . HOH D 4 . ? 38.720 52.290 54.927 1.00 21.18 ? 2163 HOH A O 1 HETATM 2437 O O . HOH D 4 . ? 40.925 47.028 51.650 1.00 21.79 ? 2164 HOH A O 1 HETATM 2438 O O . HOH D 4 . ? 38.802 48.555 57.980 1.00 15.71 ? 2165 HOH A O 1 HETATM 2439 O O . HOH D 4 . ? 43.031 54.027 62.222 1.00 15.77 ? 2166 HOH A O 1 HETATM 2440 O O . HOH D 4 . ? 42.452 56.549 57.413 1.00 25.49 ? 2167 HOH A O 1 HETATM 2441 O O . HOH D 4 . ? 48.166 54.212 66.916 1.00 18.03 ? 2168 HOH A O 1 HETATM 2442 O O . HOH D 4 . ? 46.758 55.672 64.334 1.00 18.42 ? 2169 HOH A O 1 HETATM 2443 O O . HOH D 4 . ? 47.642 57.931 65.561 1.00 13.43 ? 2170 HOH A O 1 HETATM 2444 O O . HOH D 4 . ? 49.647 57.633 59.852 1.00 25.08 ? 2171 HOH A O 1 HETATM 2445 O O . HOH D 4 . ? 53.244 60.407 64.078 1.00 25.66 ? 2172 HOH A O 1 HETATM 2446 O O . HOH D 4 . ? 55.298 56.128 71.492 1.00 23.54 ? 2173 HOH A O 1 HETATM 2447 O O . HOH D 4 . ? 51.851 50.740 71.000 1.00 21.70 ? 2174 HOH A O 1 HETATM 2448 O O . HOH D 4 . ? 59.950 44.062 71.094 1.00 19.44 ? 2175 HOH A O 1 HETATM 2449 O O . HOH D 4 . ? 64.985 50.213 64.537 1.00 37.68 ? 2176 HOH A O 1 HETATM 2450 O O . HOH D 4 . ? 57.860 50.610 67.476 1.00 9.56 ? 2177 HOH A O 1 HETATM 2451 O O . HOH D 4 . ? 60.869 54.587 72.792 1.00 31.82 ? 2178 HOH A O 1 HETATM 2452 O O . HOH D 4 . ? 62.878 50.491 71.906 1.00 29.29 ? 2179 HOH A O 1 HETATM 2453 O O . HOH D 4 . ? 59.650 56.485 71.203 1.00 30.73 ? 2180 HOH A O 1 HETATM 2454 O O . HOH D 4 . ? 58.208 57.860 60.992 1.00 14.19 ? 2181 HOH A O 1 HETATM 2455 O O . HOH D 4 . ? 56.772 60.737 64.930 1.00 9.42 ? 2182 HOH A O 1 HETATM 2456 O O . HOH D 4 . ? 58.561 59.193 66.402 1.00 11.11 ? 2183 HOH A O 1 HETATM 2457 O O . HOH D 4 . ? 59.307 53.096 61.667 1.00 19.98 ? 2184 HOH A O 1 HETATM 2458 O O . HOH D 4 . ? 56.871 52.290 65.280 1.00 10.40 ? 2185 HOH A O 1 HETATM 2459 O O . HOH D 4 . ? 49.171 56.165 57.798 1.00 15.78 ? 2186 HOH A O 1 HETATM 2460 O O . HOH D 4 . ? 41.204 49.225 61.880 1.00 18.51 ? 2187 HOH A O 1 HETATM 2461 O O . HOH D 4 . ? 36.297 49.140 60.729 1.00 38.81 ? 2188 HOH A O 1 HETATM 2462 O O . HOH D 4 . ? 34.893 48.548 64.917 1.00 29.83 ? 2189 HOH A O 1 HETATM 2463 O O . HOH D 4 . ? 22.276 31.285 60.656 1.00 18.68 ? 2190 HOH A O 1 HETATM 2464 O O . HOH D 4 . ? 21.360 28.084 61.735 1.00 32.04 ? 2191 HOH A O 1 HETATM 2465 O O . HOH D 4 . ? 18.855 28.175 64.874 1.00 17.75 ? 2192 HOH A O 1 HETATM 2466 O O . HOH D 4 . ? 15.373 33.464 69.450 1.00 27.09 ? 2193 HOH A O 1 HETATM 2467 O O . HOH D 4 . ? 18.470 27.818 67.586 1.00 12.78 ? 2194 HOH A O 1 HETATM 2468 O O . HOH D 4 . ? 22.095 24.910 71.302 1.00 25.78 ? 2195 HOH A O 1 HETATM 2469 O O . HOH D 4 . ? 25.587 31.619 77.941 1.00 12.59 ? 2196 HOH A O 1 HETATM 2470 O O . HOH D 4 . ? 24.096 24.862 74.352 1.00 27.70 ? 2197 HOH A O 1 HETATM 2471 O O . HOH D 4 . ? 28.081 34.854 80.954 1.00 35.09 ? 2198 HOH A O 1 HETATM 2472 O O . HOH D 4 . ? 32.337 32.715 80.515 1.00 21.83 ? 2199 HOH A O 1 HETATM 2473 O O . HOH D 4 . ? 28.924 42.546 78.099 1.00 14.81 ? 2200 HOH A O 1 HETATM 2474 O O . HOH D 4 . ? 29.994 32.782 82.344 1.00 25.22 ? 2201 HOH A O 1 HETATM 2475 O O . HOH D 4 . ? 32.537 41.534 83.191 1.00 29.46 ? 2202 HOH A O 1 HETATM 2476 O O . HOH D 4 . ? 39.871 43.040 82.289 1.00 15.85 ? 2203 HOH A O 1 HETATM 2477 O O . HOH D 4 . ? 33.734 39.190 83.097 1.00 19.24 ? 2204 HOH A O 1 HETATM 2478 O O . HOH D 4 . ? 44.597 42.350 78.498 1.00 14.64 ? 2205 HOH A O 1 HETATM 2479 O O . HOH D 4 . ? 34.864 48.383 76.144 1.00 25.86 ? 2206 HOH A O 1 HETATM 2480 O O . HOH D 4 . ? 46.194 40.129 78.094 1.00 18.25 ? 2207 HOH A O 1 HETATM 2481 O O . HOH D 4 . ? 45.244 38.986 81.457 1.00 26.22 ? 2208 HOH A O 1 HETATM 2482 O O . HOH D 4 . ? 45.080 35.062 77.144 1.00 32.54 ? 2209 HOH A O 1 HETATM 2483 O O . HOH D 4 . ? 50.666 38.611 71.564 1.00 24.95 ? 2210 HOH A O 1 HETATM 2484 O O . HOH D 4 . ? 46.135 46.917 76.587 1.00 14.98 ? 2211 HOH A O 1 HETATM 2485 O O . HOH D 4 . ? 47.916 46.757 72.143 1.00 30.36 ? 2212 HOH A O 1 HETATM 2486 O O . HOH D 4 . ? 39.256 45.920 81.736 1.00 36.53 ? 2213 HOH A O 1 HETATM 2487 O O . HOH D 4 . ? 39.402 48.760 78.704 1.00 32.09 ? 2214 HOH A O 1 HETATM 2488 O O . HOH D 4 . ? 41.113 51.208 76.156 1.00 29.11 ? 2215 HOH A O 1 HETATM 2489 O O . HOH D 4 . ? 38.649 48.700 75.385 1.00 14.22 ? 2216 HOH A O 1 HETATM 2490 O O . HOH D 4 . ? 31.997 47.936 75.769 1.00 21.12 ? 2217 HOH A O 1 HETATM 2491 O O . HOH D 4 . ? 30.975 49.841 74.039 1.00 27.39 ? 2218 HOH A O 1 HETATM 2492 O O . HOH D 4 . ? 32.886 50.358 71.834 1.00 19.88 ? 2219 HOH A O 1 HETATM 2493 O O . HOH D 4 . ? 27.720 47.196 60.777 1.00 23.63 ? 2220 HOH A O 1 HETATM 2494 O O . HOH D 4 . ? 28.591 42.216 52.256 1.00 18.32 ? 2221 HOH A O 1 HETATM 2495 O O . HOH D 4 . ? 24.162 42.247 60.079 1.00 16.41 ? 2222 HOH A O 1 HETATM 2496 O O . HOH D 4 . ? 18.146 36.563 66.508 1.00 17.45 ? 2223 HOH A O 1 HETATM 2497 O O . HOH D 4 . ? 18.103 37.869 64.107 1.00 15.60 ? 2224 HOH A O 1 HETATM 2498 O O . HOH D 4 . ? 22.392 43.374 61.757 1.00 24.70 ? 2225 HOH A O 1 HETATM 2499 O O . HOH D 4 . ? 17.012 31.298 74.573 1.00 26.88 ? 2226 HOH A O 1 HETATM 2500 O O . HOH D 4 . ? 14.609 47.261 66.113 1.00 29.40 ? 2227 HOH A O 1 HETATM 2501 O O . HOH D 4 . ? 18.455 47.150 71.913 1.00 31.02 ? 2228 HOH A O 1 HETATM 2502 O O . HOH D 4 . ? 15.810 38.851 72.943 1.00 21.44 ? 2229 HOH A O 1 HETATM 2503 O O . HOH D 4 . ? 16.681 36.357 76.172 1.00 21.56 ? 2230 HOH A O 1 HETATM 2504 O O . HOH D 4 . ? 17.900 43.287 77.429 1.00 31.29 ? 2231 HOH A O 1 HETATM 2505 O O . HOH D 4 . ? 20.914 50.928 74.567 1.00 38.66 ? 2232 HOH A O 1 HETATM 2506 O O . HOH D 4 . ? 19.769 48.745 64.826 1.00 35.18 ? 2233 HOH A O 1 HETATM 2507 O O . HOH D 4 . ? 49.164 34.446 61.700 1.00 4.50 ? 2234 HOH A O 1 HETATM 2508 O O . HOH D 4 . ? 50.749 35.837 57.532 1.00 10.43 ? 2235 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 MSE 1 1 ? ? ? A . n A 1 2 ARG 2 2 ? ? ? A . n A 1 3 LYS 3 3 ? ? ? A . n A 1 4 PRO 4 4 ? ? ? A . n A 1 5 ILE 5 5 ? ? ? A . n A 1 6 LEU 6 6 ? ? ? A . n A 1 7 ALA 7 7 ? ? ? A . n A 1 8 ALA 8 8 ? ? ? A . n A 1 9 LEU 9 9 ? ? ? A . n A 1 10 THR 10 10 ? ? ? A . n A 1 11 LEU 11 11 ? ? ? A . n A 1 12 ALA 12 12 ? ? ? A . n A 1 13 GLY 13 13 ? ? ? A . n A 1 14 LEU 14 14 ? ? ? A . n A 1 15 GLY 15 15 ? ? ? A . n A 1 16 LEU 16 16 ? ? ? A . n A 1 17 ALA 17 17 17 ALA ALA A . n A 1 18 GLN 18 18 18 GLN GLN A . n A 1 19 GLU 19 19 19 GLU GLU A . n A 1 20 PHE 20 20 20 PHE PHE A . n A 1 21 ILE 21 21 21 ILE ILE A . n A 1 22 THR 22 22 22 THR THR A . n A 1 23 ILE 23 23 23 ILE ILE A . n A 1 24 GLY 24 24 24 GLY GLY A . n A 1 25 SER 25 25 25 SER SER A . n A 1 26 GLY 26 26 26 GLY GLY A . n A 1 27 SER 27 27 27 SER SER A . n A 1 28 THR 28 28 28 THR THR A . n A 1 29 THR 29 29 29 THR THR A . n A 1 30 GLY 30 30 30 GLY GLY A . n A 1 31 VAL 31 31 31 VAL VAL A . n A 1 32 TYR 32 32 32 TYR TYR A . n A 1 33 PHE 33 33 33 PHE PHE A . n A 1 34 PRO 34 34 34 PRO PRO A . n A 1 35 VAL 35 35 35 VAL VAL A . n A 1 36 ALA 36 36 36 ALA ALA A . n A 1 37 THR 37 37 37 THR THR A . n A 1 38 GLY 38 38 38 GLY GLY A . n A 1 39 ILE 39 39 39 ILE ILE A . n A 1 40 ALA 40 40 40 ALA ALA A . n A 1 41 LYS 41 41 41 LYS LYS A . n A 1 42 LEU 42 42 42 LEU LEU A . n A 1 43 VAL 43 43 43 VAL VAL A . n A 1 44 ASN 44 44 44 ASN ASN A . n A 1 45 ASP 45 45 45 ASP ASP A . n A 1 46 ALA 46 46 46 ALA ALA A . n A 1 47 ASN 47 47 47 ASN ASN A . n A 1 48 VAL 48 48 48 VAL VAL A . n A 1 49 GLY 49 49 49 GLY GLY A . n A 1 50 ILE 50 50 50 ILE ILE A . n A 1 51 ARG 51 51 51 ARG ARG A . n A 1 52 ALA 52 52 52 ALA ALA A . n A 1 53 ASN 53 53 53 ASN ASN A . n A 1 54 ALA 54 54 54 ALA ALA A . n A 1 55 ARG 55 55 55 ARG ARG A . n A 1 56 SER 56 56 56 SER SER A . n A 1 57 THR 57 57 57 THR THR A . n A 1 58 GLY 58 58 58 GLY GLY A . n A 1 59 GLY 59 59 59 GLY GLY A . n A 1 60 SER 60 60 60 SER SER A . n A 1 61 VAL 61 61 61 VAL VAL A . n A 1 62 ALA 62 62 62 ALA ALA A . n A 1 63 ASN 63 63 63 ASN ASN A . n A 1 64 ILE 64 64 64 ILE ILE A . n A 1 65 ASN 65 65 65 ASN ASN A . n A 1 66 ALA 66 66 66 ALA ALA A . n A 1 67 ILE 67 67 67 ILE ILE A . n A 1 68 ASN 68 68 68 ASN ASN A . n A 1 69 ALA 69 69 69 ALA ALA A . n A 1 70 GLY 70 70 70 GLY GLY A . n A 1 71 GLU 71 71 71 GLU GLU A . n A 1 72 PHE 72 72 72 PHE PHE A . n A 1 73 GLU 73 73 73 GLU GLU A . n A 1 74 MSE 74 74 74 MSE MSE A . n A 1 75 ALA 75 75 75 ALA ALA A . n A 1 76 LEU 76 76 76 LEU LEU A . n A 1 77 ALA 77 77 77 ALA ALA A . n A 1 78 GLN 78 78 78 GLN GLN A . n A 1 79 ASN 79 79 79 ASN ASN A . n A 1 80 ASP 80 80 80 ASP ASP A . n A 1 81 ILE 81 81 81 ILE ILE A . n A 1 82 ALA 82 82 82 ALA ALA A . n A 1 83 TYR 83 83 83 TYR TYR A . n A 1 84 TYR 84 84 84 TYR TYR A . n A 1 85 ALA 85 85 85 ALA ALA A . n A 1 86 TYR 86 86 86 TYR TYR A . n A 1 87 GLN 87 87 87 GLN GLN A . n A 1 88 GLY 88 88 88 GLY GLY A . n A 1 89 CYS 89 89 89 CYS CYS A . n A 1 90 CYS 90 90 90 CYS CYS A . n A 1 91 ILE 91 91 91 ILE ILE A . n A 1 92 PRO 92 92 92 PRO PRO A . n A 1 93 ALA 93 93 93 ALA ALA A . n A 1 94 PHE 94 94 94 PHE PHE A . n A 1 95 GLU 95 95 95 GLU GLU A . n A 1 96 GLY 96 96 96 GLY GLY A . n A 1 97 LYS 97 97 97 LYS LYS A . n A 1 98 PRO 98 98 98 PRO PRO A . n A 1 99 VAL 99 99 99 VAL VAL A . n A 1 100 LYS 100 100 100 LYS LYS A . n A 1 101 THR 101 101 101 THR THR A . n A 1 102 ILE 102 102 102 ILE ILE A . n A 1 103 ARG 103 103 103 ARG ARG A . n A 1 104 ALA 104 104 104 ALA ALA A . n A 1 105 LEU 105 105 105 LEU LEU A . n A 1 106 ALA 106 106 106 ALA ALA A . n A 1 107 ALA 107 107 107 ALA ALA A . n A 1 108 LEU 108 108 108 LEU LEU A . n A 1 109 TYR 109 109 109 TYR TYR A . n A 1 110 PRO 110 110 110 PRO PRO A . n A 1 111 GLU 111 111 111 GLU GLU A . n A 1 112 VAL 112 112 112 VAL VAL A . n A 1 113 VAL 113 113 113 VAL VAL A . n A 1 114 HIS 114 114 114 HIS HIS A . n A 1 115 VAL 115 115 115 VAL VAL A . n A 1 116 VAL 116 116 116 VAL VAL A . n A 1 117 ALA 117 117 117 ALA ALA A . n A 1 118 ARG 118 118 118 ARG ARG A . n A 1 119 LYS 119 119 119 LYS LYS A . n A 1 120 ASP 120 120 120 ASP ASP A . n A 1 121 ALA 121 121 121 ALA ALA A . n A 1 122 GLY 122 122 122 GLY GLY A . n A 1 123 ILE 123 123 123 ILE ILE A . n A 1 124 ARG 124 124 124 ARG ARG A . n A 1 125 THR 125 125 125 THR THR A . n A 1 126 VAL 126 126 126 VAL VAL A . n A 1 127 ALA 127 127 127 ALA ALA A . n A 1 128 ASP 128 128 128 ASP ASP A . n A 1 129 LEU 129 129 129 LEU LEU A . n A 1 130 LYS 130 130 130 LYS LYS A . n A 1 131 GLY 131 131 131 GLY GLY A . n A 1 132 LYS 132 132 132 LYS LYS A . n A 1 133 ARG 133 133 133 ARG ARG A . n A 1 134 VAL 134 134 134 VAL VAL A . n A 1 135 VAL 135 135 135 VAL VAL A . n A 1 136 VAL 136 136 136 VAL VAL A . n A 1 137 GLY 137 137 137 GLY GLY A . n A 1 138 ASP 138 138 138 ASP ASP A . n A 1 139 VAL 139 139 139 VAL VAL A . n A 1 140 GLY 140 140 140 GLY GLY A . n A 1 141 SER 141 141 141 SER SER A . n A 1 142 GLY 142 142 142 GLY GLY A . n A 1 143 THR 143 143 143 THR THR A . n A 1 144 GLU 144 144 144 GLU GLU A . n A 1 145 GLN 145 145 145 GLN GLN A . n A 1 146 ASN 146 146 146 ASN ASN A . n A 1 147 ALA 147 147 147 ALA ALA A . n A 1 148 ARG 148 148 148 ARG ARG A . n A 1 149 GLN 149 149 149 GLN GLN A . n A 1 150 ILE 150 150 150 ILE ILE A . n A 1 151 LEU 151 151 151 LEU LEU A . n A 1 152 GLU 152 152 152 GLU GLU A . n A 1 153 ALA 153 153 153 ALA ALA A . n A 1 154 TYR 154 154 154 TYR TYR A . n A 1 155 GLY 155 155 155 GLY GLY A . n A 1 156 LEU 156 156 156 LEU LEU A . n A 1 157 THR 157 157 157 THR THR A . n A 1 158 PHE 158 158 158 PHE PHE A . n A 1 159 ASP 159 159 159 ASP ASP A . n A 1 160 ASP 160 160 160 ASP ASP A . n A 1 161 LEU 161 161 161 LEU LEU A . n A 1 162 GLY 162 162 162 GLY GLY A . n A 1 163 GLN 163 163 163 GLN GLN A . n A 1 164 ALA 164 164 164 ALA ALA A . n A 1 165 ILE 165 165 165 ILE ILE A . n A 1 166 ARG 166 166 166 ARG ARG A . n A 1 167 VAL 167 167 167 VAL VAL A . n A 1 168 SER 168 168 168 SER SER A . n A 1 169 ALA 169 169 169 ALA ALA A . n A 1 170 SER 170 170 170 SER SER A . n A 1 171 GLN 171 171 171 GLN GLN A . n A 1 172 GLY 172 172 172 GLY GLY A . n A 1 173 ILE 173 173 173 ILE ILE A . n A 1 174 GLN 174 174 174 GLN GLN A . n A 1 175 LEU 175 175 175 LEU LEU A . n A 1 176 MSE 176 176 176 MSE MSE A . n A 1 177 GLN 177 177 177 GLN GLN A . n A 1 178 ASP 178 178 178 ASP ASP A . n A 1 179 LYS 179 179 179 LYS LYS A . n A 1 180 ARG 180 180 180 ARG ARG A . n A 1 181 ALA 181 181 181 ALA ALA A . n A 1 182 ASP 182 182 182 ASP ASP A . n A 1 183 ALA 183 183 183 ALA ALA A . n A 1 184 LEU 184 184 184 LEU LEU A . n A 1 185 PHE 185 185 185 PHE PHE A . n A 1 186 TYR 186 186 186 TYR TYR A . n A 1 187 THR 187 187 187 THR THR A . n A 1 188 VAL 188 188 188 VAL VAL A . n A 1 189 GLY 189 189 189 GLY GLY A . n A 1 190 LEU 190 190 190 LEU LEU A . n A 1 191 GLY 191 191 191 GLY GLY A . n A 1 192 ALA 192 192 192 ALA ALA A . n A 1 193 SER 193 193 193 SER SER A . n A 1 194 ALA 194 194 194 ALA ALA A . n A 1 195 ILE 195 195 195 ILE ILE A . n A 1 196 GLN 196 196 196 GLN GLN A . n A 1 197 GLN 197 197 197 GLN GLN A . n A 1 198 LEU 198 198 198 LEU LEU A . n A 1 199 ALA 199 199 199 ALA ALA A . n A 1 200 LEU 200 200 200 LEU LEU A . n A 1 201 THR 201 201 201 THR THR A . n A 1 202 THR 202 202 202 THR THR A . n A 1 203 PRO 203 203 203 PRO PRO A . n A 1 204 ILE 204 204 204 ILE ILE A . n A 1 205 ALA 205 205 205 ALA ALA A . n A 1 206 LEU 206 206 206 LEU LEU A . n A 1 207 VAL 207 207 207 VAL VAL A . n A 1 208 ALA 208 208 208 ALA ALA A . n A 1 209 VAL 209 209 209 VAL VAL A . n A 1 210 ASP 210 210 210 ASP ASP A . n A 1 211 LEU 211 211 211 LEU LEU A . n A 1 212 ASN 212 212 212 ASN ASN A . n A 1 213 ARG 213 213 213 ARG ARG A . n A 1 214 ILE 214 214 214 ILE ILE A . n A 1 215 GLN 215 215 215 GLN GLN A . n A 1 216 ALA 216 216 216 ALA ALA A . n A 1 217 ILE 217 217 217 ILE ILE A . n A 1 218 ALA 218 218 218 ALA ALA A . n A 1 219 LYS 219 219 219 LYS LYS A . n A 1 220 LYS 220 220 220 LYS LYS A . n A 1 221 TYR 221 221 221 TYR TYR A . n A 1 222 PRO 222 222 222 PRO PRO A . n A 1 223 PHE 223 223 223 PHE PHE A . n A 1 224 TYR 224 224 224 TYR TYR A . n A 1 225 VAL 225 225 225 VAL VAL A . n A 1 226 GLY 226 226 226 GLY GLY A . n A 1 227 PHE 227 227 227 PHE PHE A . n A 1 228 ASN 228 228 228 ASN ASN A . n A 1 229 ILE 229 229 229 ILE ILE A . n A 1 230 PRO 230 230 230 PRO PRO A . n A 1 231 GLY 231 231 231 GLY GLY A . n A 1 232 GLY 232 232 232 GLY GLY A . n A 1 233 THR 233 233 233 THR THR A . n A 1 234 TYR 234 234 234 TYR TYR A . n A 1 235 LYS 235 235 235 LYS LYS A . n A 1 236 GLY 236 236 236 GLY GLY A . n A 1 237 VAL 237 237 237 VAL VAL A . n A 1 238 ASP 238 238 238 ASP ASP A . n A 1 239 VAL 239 239 239 VAL VAL A . n A 1 240 THR 240 240 240 THR THR A . n A 1 241 THR 241 241 241 THR THR A . n A 1 242 PRO 242 242 242 PRO PRO A . n A 1 243 THR 243 243 243 THR THR A . n A 1 244 VAL 244 244 244 VAL VAL A . n A 1 245 ALA 245 245 245 ALA ALA A . n A 1 246 VAL 246 246 246 VAL VAL A . n A 1 247 GLN 247 247 247 GLN GLN A . n A 1 248 ALA 248 248 248 ALA ALA A . n A 1 249 MSE 249 249 249 MSE MSE A . n A 1 250 LEU 250 250 250 LEU LEU A . n A 1 251 ILE 251 251 251 ILE ILE A . n A 1 252 ALA 252 252 252 ALA ALA A . n A 1 253 SER 253 253 253 SER SER A . n A 1 254 GLU 254 254 254 GLU GLU A . n A 1 255 ARG 255 255 255 ARG ARG A . n A 1 256 LEU 256 256 256 LEU LEU A . n A 1 257 SER 257 257 257 SER SER A . n A 1 258 GLU 258 258 258 GLU GLU A . n A 1 259 GLU 259 259 259 GLU GLU A . n A 1 260 THR 260 260 260 THR THR A . n A 1 261 VAL 261 261 261 VAL VAL A . n A 1 262 TYR 262 262 262 TYR TYR A . n A 1 263 LYS 263 263 263 LYS LYS A . n A 1 264 PHE 264 264 264 PHE PHE A . n A 1 265 MSE 265 265 265 MSE MSE A . n A 1 266 LYS 266 266 266 LYS LYS A . n A 1 267 ALA 267 267 267 ALA ALA A . n A 1 268 VAL 268 268 268 VAL VAL A . n A 1 269 PHE 269 269 269 PHE PHE A . n A 1 270 GLY 270 270 270 GLY GLY A . n A 1 271 ASN 271 271 271 ASN ASN A . n A 1 272 LEU 272 272 272 LEU LEU A . n A 1 273 GLU 273 273 273 GLU GLU A . n A 1 274 ALA 274 274 274 ALA ALA A . n A 1 275 PHE 275 275 275 PHE PHE A . n A 1 276 LYS 276 276 276 LYS LYS A . n A 1 277 LYS 277 277 277 LYS LYS A . n A 1 278 ILE 278 278 278 ILE ILE A . n A 1 279 HIS 279 279 279 HIS HIS A . n A 1 280 PRO 280 280 280 PRO PRO A . n A 1 281 ASN 281 281 281 ASN ASN A . n A 1 282 LEU 282 282 282 LEU LEU A . n A 1 283 GLU 283 283 283 GLU GLU A . n A 1 284 ARG 284 284 284 ARG ARG A . n A 1 285 PHE 285 285 285 PHE PHE A . n A 1 286 PHE 286 286 286 PHE PHE A . n A 1 287 GLY 287 287 287 GLY GLY A . n A 1 288 LEU 288 288 288 LEU LEU A . n A 1 289 GLU 289 289 289 GLU GLU A . n A 1 290 LYS 290 290 290 LYS LYS A . n A 1 291 ALA 291 291 291 ALA ALA A . n A 1 292 VAL 292 292 292 VAL VAL A . n A 1 293 LYS 293 293 293 LYS LYS A . n A 1 294 GLY 294 294 294 GLY GLY A . n A 1 295 LEU 295 295 295 LEU LEU A . n A 1 296 PRO 296 296 296 PRO PRO A . n A 1 297 ILE 297 297 297 ILE ILE A . n A 1 298 PRO 298 298 298 PRO PRO A . n A 1 299 LEU 299 299 299 LEU LEU A . n A 1 300 HIS 300 300 300 HIS HIS A . n A 1 301 PRO 301 301 301 PRO PRO A . n A 1 302 GLY 302 302 302 GLY GLY A . n A 1 303 ALA 303 303 303 ALA ALA A . n A 1 304 GLU 304 304 304 GLU GLU A . n A 1 305 ARG 305 305 305 ARG ARG A . n A 1 306 PHE 306 306 306 PHE PHE A . n A 1 307 TYR 307 307 307 TYR TYR A . n A 1 308 LYS 308 308 308 LYS LYS A . n A 1 309 GLU 309 309 309 GLU GLU A . n A 1 310 ALA 310 310 310 ALA ALA A . n A 1 311 GLY 311 311 311 GLY GLY A . n A 1 312 VAL 312 312 312 VAL VAL A . n A 1 313 LEU 313 313 313 LEU LEU A . n A 1 314 LYS 314 314 314 LYS LYS A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 GLU 1 1313 1313 GLU GLU A . C 3 EDO 1 1314 1314 EDO EDO A . D 4 HOH 1 2001 2001 HOH HOH A . D 4 HOH 2 2002 2002 HOH HOH A . D 4 HOH 3 2003 2003 HOH HOH A . D 4 HOH 4 2004 2004 HOH HOH A . D 4 HOH 5 2005 2005 HOH HOH A . D 4 HOH 6 2006 2006 HOH HOH A . D 4 HOH 7 2007 2007 HOH HOH A . D 4 HOH 8 2008 2008 HOH HOH A . D 4 HOH 9 2009 2009 HOH HOH A . D 4 HOH 10 2010 2010 HOH HOH A . D 4 HOH 11 2011 2011 HOH HOH A . D 4 HOH 12 2012 2012 HOH HOH A . D 4 HOH 13 2013 2013 HOH HOH A . D 4 HOH 14 2014 2014 HOH HOH A . D 4 HOH 15 2015 2015 HOH HOH A . D 4 HOH 16 2016 2016 HOH HOH A . D 4 HOH 17 2017 2017 HOH HOH A . D 4 HOH 18 2018 2018 HOH HOH A . D 4 HOH 19 2019 2019 HOH HOH A . D 4 HOH 20 2020 2020 HOH HOH A . D 4 HOH 21 2021 2021 HOH HOH A . D 4 HOH 22 2022 2022 HOH HOH A . D 4 HOH 23 2023 2023 HOH HOH A . D 4 HOH 24 2024 2024 HOH HOH A . D 4 HOH 25 2025 2025 HOH HOH A . D 4 HOH 26 2026 2026 HOH HOH A . D 4 HOH 27 2027 2027 HOH HOH A . D 4 HOH 28 2028 2028 HOH HOH A . D 4 HOH 29 2029 2029 HOH HOH A . D 4 HOH 30 2030 2030 HOH HOH A . D 4 HOH 31 2031 2031 HOH HOH A . D 4 HOH 32 2032 2032 HOH HOH A . D 4 HOH 33 2033 2033 HOH HOH A . D 4 HOH 34 2034 2034 HOH HOH A . D 4 HOH 35 2035 2035 HOH HOH A . D 4 HOH 36 2036 2036 HOH HOH A . D 4 HOH 37 2037 2037 HOH HOH A . D 4 HOH 38 2038 2038 HOH HOH A . D 4 HOH 39 2039 2039 HOH HOH A . D 4 HOH 40 2040 2040 HOH HOH A . D 4 HOH 41 2041 2041 HOH HOH A . D 4 HOH 42 2042 2042 HOH HOH A . D 4 HOH 43 2043 2043 HOH HOH A . D 4 HOH 44 2044 2044 HOH HOH A . D 4 HOH 45 2045 2045 HOH HOH A . D 4 HOH 46 2046 2046 HOH HOH A . D 4 HOH 47 2047 2047 HOH HOH A . D 4 HOH 48 2048 2048 HOH HOH A . D 4 HOH 49 2049 2049 HOH HOH A . D 4 HOH 50 2050 2050 HOH HOH A . D 4 HOH 51 2051 2051 HOH HOH A . D 4 HOH 52 2052 2052 HOH HOH A . D 4 HOH 53 2053 2053 HOH HOH A . D 4 HOH 54 2054 2054 HOH HOH A . D 4 HOH 55 2055 2055 HOH HOH A . D 4 HOH 56 2056 2056 HOH HOH A . D 4 HOH 57 2057 2057 HOH HOH A . D 4 HOH 58 2058 2058 HOH HOH A . D 4 HOH 59 2059 2059 HOH HOH A . D 4 HOH 60 2060 2060 HOH HOH A . D 4 HOH 61 2061 2061 HOH HOH A . D 4 HOH 62 2062 2062 HOH HOH A . D 4 HOH 63 2063 2063 HOH HOH A . D 4 HOH 64 2064 2064 HOH HOH A . D 4 HOH 65 2065 2065 HOH HOH A . D 4 HOH 66 2066 2066 HOH HOH A . D 4 HOH 67 2067 2067 HOH HOH A . D 4 HOH 68 2068 2068 HOH HOH A . D 4 HOH 69 2069 2069 HOH HOH A . D 4 HOH 70 2070 2070 HOH HOH A . D 4 HOH 71 2071 2071 HOH HOH A . D 4 HOH 72 2072 2072 HOH HOH A . D 4 HOH 73 2073 2073 HOH HOH A . D 4 HOH 74 2074 2074 HOH HOH A . D 4 HOH 75 2075 2075 HOH HOH A . D 4 HOH 76 2076 2076 HOH HOH A . D 4 HOH 77 2077 2077 HOH HOH A . D 4 HOH 78 2078 2078 HOH HOH A . D 4 HOH 79 2079 2079 HOH HOH A . D 4 HOH 80 2080 2080 HOH HOH A . D 4 HOH 81 2081 2081 HOH HOH A . D 4 HOH 82 2082 2082 HOH HOH A . D 4 HOH 83 2083 2083 HOH HOH A . D 4 HOH 84 2084 2084 HOH HOH A . D 4 HOH 85 2085 2085 HOH HOH A . D 4 HOH 86 2086 2086 HOH HOH A . D 4 HOH 87 2087 2087 HOH HOH A . D 4 HOH 88 2088 2088 HOH HOH A . D 4 HOH 89 2089 2089 HOH HOH A . D 4 HOH 90 2090 2090 HOH HOH A . D 4 HOH 91 2091 2091 HOH HOH A . D 4 HOH 92 2092 2092 HOH HOH A . D 4 HOH 93 2093 2093 HOH HOH A . D 4 HOH 94 2094 2094 HOH HOH A . D 4 HOH 95 2095 2095 HOH HOH A . D 4 HOH 96 2096 2096 HOH HOH A . D 4 HOH 97 2097 2097 HOH HOH A . D 4 HOH 98 2098 2098 HOH HOH A . D 4 HOH 99 2099 2099 HOH HOH A . D 4 HOH 100 2100 2100 HOH HOH A . D 4 HOH 101 2101 2101 HOH HOH A . D 4 HOH 102 2102 2102 HOH HOH A . D 4 HOH 103 2103 2103 HOH HOH A . D 4 HOH 104 2104 2104 HOH HOH A . D 4 HOH 105 2105 2105 HOH HOH A . D 4 HOH 106 2106 2106 HOH HOH A . D 4 HOH 107 2107 2107 HOH HOH A . D 4 HOH 108 2108 2108 HOH HOH A . D 4 HOH 109 2109 2109 HOH HOH A . D 4 HOH 110 2110 2110 HOH HOH A . D 4 HOH 111 2111 2111 HOH HOH A . D 4 HOH 112 2112 2112 HOH HOH A . D 4 HOH 113 2113 2113 HOH HOH A . D 4 HOH 114 2114 2114 HOH HOH A . D 4 HOH 115 2115 2115 HOH HOH A . D 4 HOH 116 2116 2116 HOH HOH A . D 4 HOH 117 2117 2117 HOH HOH A . D 4 HOH 118 2118 2118 HOH HOH A . D 4 HOH 119 2119 2119 HOH HOH A . D 4 HOH 120 2120 2120 HOH HOH A . D 4 HOH 121 2121 2121 HOH HOH A . D 4 HOH 122 2122 2122 HOH HOH A . D 4 HOH 123 2123 2123 HOH HOH A . D 4 HOH 124 2124 2124 HOH HOH A . D 4 HOH 125 2125 2125 HOH HOH A . D 4 HOH 126 2126 2126 HOH HOH A . D 4 HOH 127 2127 2127 HOH HOH A . D 4 HOH 128 2128 2128 HOH HOH A . D 4 HOH 129 2129 2129 HOH HOH A . D 4 HOH 130 2130 2130 HOH HOH A . D 4 HOH 131 2131 2131 HOH HOH A . D 4 HOH 132 2132 2132 HOH HOH A . D 4 HOH 133 2133 2133 HOH HOH A . D 4 HOH 134 2134 2134 HOH HOH A . D 4 HOH 135 2135 2135 HOH HOH A . D 4 HOH 136 2136 2136 HOH HOH A . D 4 HOH 137 2137 2137 HOH HOH A . D 4 HOH 138 2138 2138 HOH HOH A . D 4 HOH 139 2139 2139 HOH HOH A . D 4 HOH 140 2140 2140 HOH HOH A . D 4 HOH 141 2141 2141 HOH HOH A . D 4 HOH 142 2142 2142 HOH HOH A . D 4 HOH 143 2143 2143 HOH HOH A . D 4 HOH 144 2144 2144 HOH HOH A . D 4 HOH 145 2145 2145 HOH HOH A . D 4 HOH 146 2146 2146 HOH HOH A . D 4 HOH 147 2147 2147 HOH HOH A . D 4 HOH 148 2148 2148 HOH HOH A . D 4 HOH 149 2149 2149 HOH HOH A . D 4 HOH 150 2150 2150 HOH HOH A . D 4 HOH 151 2151 2151 HOH HOH A . D 4 HOH 152 2152 2152 HOH HOH A . D 4 HOH 153 2153 2153 HOH HOH A . D 4 HOH 154 2154 2154 HOH HOH A . D 4 HOH 155 2155 2155 HOH HOH A . D 4 HOH 156 2156 2156 HOH HOH A . D 4 HOH 157 2157 2157 HOH HOH A . D 4 HOH 158 2158 2158 HOH HOH A . D 4 HOH 159 2159 2159 HOH HOH A . D 4 HOH 160 2160 2160 HOH HOH A . D 4 HOH 161 2161 2161 HOH HOH A . D 4 HOH 162 2162 2162 HOH HOH A . D 4 HOH 163 2163 2163 HOH HOH A . D 4 HOH 164 2164 2164 HOH HOH A . D 4 HOH 165 2165 2165 HOH HOH A . D 4 HOH 166 2166 2166 HOH HOH A . D 4 HOH 167 2167 2167 HOH HOH A . D 4 HOH 168 2168 2168 HOH HOH A . D 4 HOH 169 2169 2169 HOH HOH A . D 4 HOH 170 2170 2170 HOH HOH A . D 4 HOH 171 2171 2171 HOH HOH A . D 4 HOH 172 2172 2172 HOH HOH A . D 4 HOH 173 2173 2173 HOH HOH A . D 4 HOH 174 2174 2174 HOH HOH A . D 4 HOH 175 2175 2175 HOH HOH A . D 4 HOH 176 2176 2176 HOH HOH A . D 4 HOH 177 2177 2177 HOH HOH A . D 4 HOH 178 2178 2178 HOH HOH A . D 4 HOH 179 2179 2179 HOH HOH A . D 4 HOH 180 2180 2180 HOH HOH A . D 4 HOH 181 2181 2181 HOH HOH A . D 4 HOH 182 2182 2182 HOH HOH A . D 4 HOH 183 2183 2183 HOH HOH A . D 4 HOH 184 2184 2184 HOH HOH A . D 4 HOH 185 2185 2185 HOH HOH A . D 4 HOH 186 2186 2186 HOH HOH A . D 4 HOH 187 2187 2187 HOH HOH A . D 4 HOH 188 2188 2188 HOH HOH A . D 4 HOH 189 2189 2189 HOH HOH A . D 4 HOH 190 2190 2190 HOH HOH A . D 4 HOH 191 2191 2191 HOH HOH A . D 4 HOH 192 2192 2192 HOH HOH A . D 4 HOH 193 2193 2193 HOH HOH A . D 4 HOH 194 2194 2194 HOH HOH A . D 4 HOH 195 2195 2195 HOH HOH A . D 4 HOH 196 2196 2196 HOH HOH A . D 4 HOH 197 2197 2197 HOH HOH A . D 4 HOH 198 2198 2198 HOH HOH A . D 4 HOH 199 2199 2199 HOH HOH A . D 4 HOH 200 2200 2200 HOH HOH A . D 4 HOH 201 2201 2201 HOH HOH A . D 4 HOH 202 2202 2202 HOH HOH A . D 4 HOH 203 2203 2203 HOH HOH A . D 4 HOH 204 2204 2204 HOH HOH A . D 4 HOH 205 2205 2205 HOH HOH A . D 4 HOH 206 2206 2206 HOH HOH A . D 4 HOH 207 2207 2207 HOH HOH A . D 4 HOH 208 2208 2208 HOH HOH A . D 4 HOH 209 2209 2209 HOH HOH A . D 4 HOH 210 2210 2210 HOH HOH A . D 4 HOH 211 2211 2211 HOH HOH A . D 4 HOH 212 2212 2212 HOH HOH A . D 4 HOH 213 2213 2213 HOH HOH A . D 4 HOH 214 2214 2214 HOH HOH A . D 4 HOH 215 2215 2215 HOH HOH A . D 4 HOH 216 2216 2216 HOH HOH A . D 4 HOH 217 2217 2217 HOH HOH A . D 4 HOH 218 2218 2218 HOH HOH A . D 4 HOH 219 2219 2219 HOH HOH A . D 4 HOH 220 2220 2220 HOH HOH A . D 4 HOH 221 2221 2221 HOH HOH A . D 4 HOH 222 2222 2222 HOH HOH A . D 4 HOH 223 2223 2223 HOH HOH A . D 4 HOH 224 2224 2224 HOH HOH A . D 4 HOH 225 2225 2225 HOH HOH A . D 4 HOH 226 2226 2226 HOH HOH A . D 4 HOH 227 2227 2227 HOH HOH A . D 4 HOH 228 2228 2228 HOH HOH A . D 4 HOH 229 2229 2229 HOH HOH A . D 4 HOH 230 2230 2230 HOH HOH A . D 4 HOH 231 2231 2231 HOH HOH A . D 4 HOH 232 2232 2232 HOH HOH A . D 4 HOH 233 2233 2233 HOH HOH A . D 4 HOH 234 2234 2234 HOH HOH A . D 4 HOH 235 2235 2235 HOH HOH A . # 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 MSE 74 A MSE 74 ? MET SELENOMETHIONINE 2 A MSE 176 A MSE 176 ? MET SELENOMETHIONINE 3 A MSE 249 A MSE 249 ? MET SELENOMETHIONINE 4 A MSE 265 A MSE 265 ? MET SELENOMETHIONINE # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PQS _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D # _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 2003-11-19 2 'Structure model' 1 1 2011-05-08 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2017-06-28 5 'Structure model' 1 4 2019-03-06 6 'Structure model' 1 5 2019-05-22 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Version format compliance' 3 4 'Structure model' 'Refinement description' 4 5 'Structure model' 'Data collection' 5 5 'Structure model' 'Derived calculations' 6 5 'Structure model' 'Experimental preparation' 7 6 'Structure model' 'Data collection' 8 6 'Structure model' 'Experimental preparation' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 4 'Structure model' software 2 5 'Structure model' exptl_crystal_grow 3 5 'Structure model' struct_conn 4 6 'Structure model' exptl_crystal_grow # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 4 'Structure model' '_software.name' 2 5 'Structure model' '_exptl_crystal_grow.method' 3 5 'Structure model' '_struct_conn.pdbx_leaving_atom_flag' 4 6 'Structure model' '_exptl_crystal_grow.temp' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal HKL-2000 'data reduction' . ? 1 HKL-2000 'data scaling' . ? 2 CNS phasing . ? 3 ARP/wARP phasing . ? 4 CNS refinement 1.1 ? 5 # _pdbx_database_remark.id 700 _pdbx_database_remark.text ; SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED. ; # 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 SER A 25 ? ? -135.12 -110.57 2 1 CYS A 90 ? ? 61.58 -36.68 3 1 ALA A 106 ? ? -175.49 144.84 4 1 THR A 243 ? ? -149.26 -158.27 5 1 VAL A 246 ? ? -127.30 -164.15 6 1 ASN A 271 ? ? -108.89 71.98 # _pdbx_distant_solvent_atoms.id 1 _pdbx_distant_solvent_atoms.PDB_model_num 1 _pdbx_distant_solvent_atoms.auth_atom_id O _pdbx_distant_solvent_atoms.label_alt_id ? _pdbx_distant_solvent_atoms.auth_asym_id A _pdbx_distant_solvent_atoms.auth_comp_id HOH _pdbx_distant_solvent_atoms.auth_seq_id 2043 _pdbx_distant_solvent_atoms.PDB_ins_code ? _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 5.84 _pdbx_distant_solvent_atoms.neighbor_ligand_distance . # 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 Y 1 A LYS 314 ? CA ? A LYS 314 CA 2 1 Y 1 A LYS 314 ? C ? A LYS 314 C 3 1 Y 1 A LYS 314 ? O ? A LYS 314 O 4 1 Y 1 A LYS 314 ? CB ? A LYS 314 CB 5 1 Y 1 A LYS 314 ? CG ? A LYS 314 CG 6 1 Y 1 A LYS 314 ? CD ? A LYS 314 CD 7 1 Y 1 A LYS 314 ? CE ? A LYS 314 CE 8 1 Y 1 A LYS 314 ? NZ ? A LYS 314 NZ # 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 MSE 1 ? A MSE 1 2 1 Y 1 A ARG 2 ? A ARG 2 3 1 Y 1 A LYS 3 ? A LYS 3 4 1 Y 1 A PRO 4 ? A PRO 4 5 1 Y 1 A ILE 5 ? A ILE 5 6 1 Y 1 A LEU 6 ? A LEU 6 7 1 Y 1 A ALA 7 ? A ALA 7 8 1 Y 1 A ALA 8 ? A ALA 8 9 1 Y 1 A LEU 9 ? A LEU 9 10 1 Y 1 A THR 10 ? A THR 10 11 1 Y 1 A LEU 11 ? A LEU 11 12 1 Y 1 A ALA 12 ? A ALA 12 13 1 Y 1 A GLY 13 ? A GLY 13 14 1 Y 1 A LEU 14 ? A LEU 14 15 1 Y 1 A GLY 15 ? A GLY 15 16 1 Y 1 A LEU 16 ? A LEU 16 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'GLUTAMIC ACID' GLU 3 1,2-ETHANEDIOL EDO 4 water HOH # If you find results from this site helpful for your research, please cite one of our papers:
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is maintained by Yves-Henri Sanejouand. |