data_2REN # _entry.id 2REN # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 2REN WWPDB D_1000178556 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2REN _pdbx_database_status.recvd_initial_deposition_date 1992-02-05 _pdbx_database_status.deposit_site ? _pdbx_database_status.process_site BNL _pdbx_database_status.SG_entry . _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Sielecki, A.R.' 1 'James, M.N.G.' 2 # _citation.id primary _citation.title 'Structure of recombinant human renin, a target for cardiovascular-active drugs, at 2.5 A resolution.' _citation.journal_abbrev Science _citation.journal_volume 243 _citation.page_first 1346 _citation.page_last 1351 _citation.year 1989 _citation.journal_id_ASTM SCIEAS _citation.country US _citation.journal_id_ISSN 0036-8075 _citation.journal_id_CSD 0038 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 2493678 _citation.pdbx_database_id_DOI ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Sielecki, A.R.' 1 primary 'Hayakawa, K.' 2 primary 'Fujinaga, M.' 3 primary 'Murphy, M.E.' 4 primary 'Fraser, M.' 5 primary 'Muir, A.K.' 6 primary 'Carilli, C.T.' 7 primary 'Lewicki, J.A.' 8 primary 'Baxter, J.D.' 9 primary 'James, M.N.' 10 # _cell.entry_id 2REN _cell.length_a 134.080 _cell.length_b 134.080 _cell.length_c 41.980 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? # _symmetry.entry_id 2REN _symmetry.space_group_name_H-M 'I 4' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 79 # 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 RENIN 37267.008 1 3.4.23.15 ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;LTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELT LRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSF YYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIE KLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFI RKFYTEFDRRNNRIGFALAR ; _entity_poly.pdbx_seq_one_letter_code_can ;LTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELT LRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSF YYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIE KLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFI RKFYTEFDRRNNRIGFALAR ; _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 LEU n 1 2 THR n 1 3 LEU n 1 4 GLY n 1 5 ASN n 1 6 THR n 1 7 THR n 1 8 SER n 1 9 SER n 1 10 VAL n 1 11 ILE n 1 12 LEU n 1 13 THR n 1 14 ASN n 1 15 TYR n 1 16 MET n 1 17 ASP n 1 18 THR n 1 19 GLN n 1 20 TYR n 1 21 TYR n 1 22 GLY n 1 23 GLU n 1 24 ILE n 1 25 GLY n 1 26 ILE n 1 27 GLY n 1 28 THR n 1 29 PRO n 1 30 PRO n 1 31 GLN n 1 32 THR n 1 33 PHE n 1 34 LYS n 1 35 VAL n 1 36 VAL n 1 37 PHE n 1 38 ASP n 1 39 THR n 1 40 GLY n 1 41 SER n 1 42 SER n 1 43 ASN n 1 44 VAL n 1 45 TRP n 1 46 VAL n 1 47 PRO n 1 48 SER n 1 49 SER n 1 50 LYS n 1 51 CYS n 1 52 SER n 1 53 ARG n 1 54 LEU n 1 55 TYR n 1 56 THR n 1 57 ALA n 1 58 CYS n 1 59 VAL n 1 60 TYR n 1 61 HIS n 1 62 LYS n 1 63 LEU n 1 64 PHE n 1 65 ASP n 1 66 ALA n 1 67 SER n 1 68 ASP n 1 69 SER n 1 70 SER n 1 71 SER n 1 72 TYR n 1 73 LYS n 1 74 HIS n 1 75 ASN n 1 76 GLY n 1 77 THR n 1 78 GLU n 1 79 LEU n 1 80 THR n 1 81 LEU n 1 82 ARG n 1 83 TYR n 1 84 SER n 1 85 THR n 1 86 GLY n 1 87 THR n 1 88 VAL n 1 89 SER n 1 90 GLY n 1 91 PHE n 1 92 LEU n 1 93 SER n 1 94 GLN n 1 95 ASP n 1 96 ILE n 1 97 ILE n 1 98 THR n 1 99 VAL n 1 100 GLY n 1 101 GLY n 1 102 ILE n 1 103 THR n 1 104 VAL n 1 105 THR n 1 106 GLN n 1 107 MET n 1 108 PHE n 1 109 GLY n 1 110 GLU n 1 111 VAL n 1 112 THR n 1 113 GLU n 1 114 MET n 1 115 PRO n 1 116 ALA n 1 117 LEU n 1 118 PRO n 1 119 PHE n 1 120 MET n 1 121 LEU n 1 122 ALA n 1 123 GLU n 1 124 PHE n 1 125 ASP n 1 126 GLY n 1 127 VAL n 1 128 VAL n 1 129 GLY n 1 130 MET n 1 131 GLY n 1 132 PHE n 1 133 ILE n 1 134 GLU n 1 135 GLN n 1 136 ALA n 1 137 ILE n 1 138 GLY n 1 139 ARG n 1 140 VAL n 1 141 THR n 1 142 PRO n 1 143 ILE n 1 144 PHE n 1 145 ASP n 1 146 ASN n 1 147 ILE n 1 148 ILE n 1 149 SER n 1 150 GLN n 1 151 GLY n 1 152 VAL n 1 153 LEU n 1 154 LYS n 1 155 GLU n 1 156 ASP n 1 157 VAL n 1 158 PHE n 1 159 SER n 1 160 PHE n 1 161 TYR n 1 162 TYR n 1 163 ASN n 1 164 ARG n 1 165 ASP n 1 166 SER n 1 167 GLU n 1 168 ASN n 1 169 SER n 1 170 GLN n 1 171 SER n 1 172 LEU n 1 173 GLY n 1 174 GLY n 1 175 GLN n 1 176 ILE n 1 177 VAL n 1 178 LEU n 1 179 GLY n 1 180 GLY n 1 181 SER n 1 182 ASP n 1 183 PRO n 1 184 GLN n 1 185 HIS n 1 186 TYR n 1 187 GLU n 1 188 GLY n 1 189 ASN n 1 190 PHE n 1 191 HIS n 1 192 TYR n 1 193 ILE n 1 194 ASN n 1 195 LEU n 1 196 ILE n 1 197 LYS n 1 198 THR n 1 199 GLY n 1 200 VAL n 1 201 TRP n 1 202 GLN n 1 203 ILE n 1 204 GLN n 1 205 MET n 1 206 LYS n 1 207 GLY n 1 208 VAL n 1 209 SER n 1 210 VAL n 1 211 GLY n 1 212 SER n 1 213 SER n 1 214 THR n 1 215 LEU n 1 216 LEU n 1 217 CYS n 1 218 GLU n 1 219 ASP n 1 220 GLY n 1 221 CYS n 1 222 LEU n 1 223 ALA n 1 224 LEU n 1 225 VAL n 1 226 ASP n 1 227 THR n 1 228 GLY n 1 229 ALA n 1 230 SER n 1 231 TYR n 1 232 ILE n 1 233 SER n 1 234 GLY n 1 235 SER n 1 236 THR n 1 237 SER n 1 238 SER n 1 239 ILE n 1 240 GLU n 1 241 LYS n 1 242 LEU n 1 243 MET n 1 244 GLU n 1 245 ALA n 1 246 LEU n 1 247 GLY n 1 248 ALA n 1 249 LYS n 1 250 LYS n 1 251 ARG n 1 252 LEU n 1 253 PHE n 1 254 ASP n 1 255 TYR n 1 256 VAL n 1 257 VAL n 1 258 LYS n 1 259 CYS n 1 260 ASN n 1 261 GLU n 1 262 GLY n 1 263 PRO n 1 264 THR n 1 265 LEU n 1 266 PRO n 1 267 ASP n 1 268 ILE n 1 269 SER n 1 270 PHE n 1 271 HIS n 1 272 LEU n 1 273 GLY n 1 274 GLY n 1 275 LYS n 1 276 GLU n 1 277 TYR n 1 278 THR n 1 279 LEU n 1 280 THR n 1 281 SER n 1 282 ALA n 1 283 ASP n 1 284 TYR n 1 285 VAL n 1 286 PHE n 1 287 GLN n 1 288 GLU n 1 289 SER n 1 290 TYR n 1 291 SER n 1 292 SER n 1 293 LYS n 1 294 LYS n 1 295 LEU n 1 296 CYS n 1 297 THR n 1 298 LEU n 1 299 ALA n 1 300 ILE n 1 301 HIS n 1 302 ALA n 1 303 MET n 1 304 ASP n 1 305 ILE n 1 306 PRO n 1 307 PRO n 1 308 PRO n 1 309 THR n 1 310 GLY n 1 311 PRO n 1 312 THR n 1 313 TRP n 1 314 ALA n 1 315 LEU n 1 316 GLY n 1 317 ALA n 1 318 THR n 1 319 PHE n 1 320 ILE n 1 321 ARG n 1 322 LYS n 1 323 PHE n 1 324 TYR n 1 325 THR n 1 326 GLU n 1 327 PHE n 1 328 ASP n 1 329 ARG n 1 330 ARG n 1 331 ASN n 1 332 ASN n 1 333 ARG n 1 334 ILE n 1 335 GLY n 1 336 PHE n 1 337 ALA n 1 338 LEU n 1 339 ALA n 1 340 ARG n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name human _entity_src_gen.gene_src_genus Homo _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name ? _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id ? _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code RENI_HUMAN _struct_ref.entity_id 1 _struct_ref.pdbx_db_accession P00797 _struct_ref.pdbx_align_begin 1 _struct_ref.pdbx_seq_one_letter_code ;MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEWSQPMKRLTLGNTTSSVILTN YMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQ DIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGG QIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFD YVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRI GFALAR ; _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 2REN _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 340 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P00797 _struct_ref_seq.db_align_beg 67 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 406 _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 340 # 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 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 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 2REN _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number ? # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.53 _exptl_crystal.density_percent_sol 51.39 _exptl_crystal.description ? # _diffrn.id 1 _diffrn.crystal_id 1 _diffrn.ambient_temp ? _diffrn.ambient_temp_details ? # _refine.entry_id 2REN _refine.ls_number_reflns_obs 13614 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 8.0 _refine.ls_d_res_high 2.5 _refine.ls_percent_reflns_obs ? _refine.ls_R_factor_obs 0.217 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work ? _refine.ls_R_factor_R_free ? _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free ? _refine.ls_number_reflns_R_free ? _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_ls_cross_valid_method ? _refine.details ;ATOMS IN THE FOLLOWING RESIDUES HAVE BEEN ASSIGNED A TEMPERATURE FACTOR OF 99.99 INDICATING THAT THE ASSOCIATED ELECTRON DENSITY IS VERY POOR: ARG 82 - GLY 86 SER 213 - THR 214 ALA 248 - ASP 254 ; _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_overall_phase_error ? _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_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2455 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 14 _refine_hist.number_atoms_solvent 0 _refine_hist.number_atoms_total 2469 _refine_hist.d_res_high 2.5 _refine_hist.d_res_low 8.0 # 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 o_bond_d 0.030 ? ? ? 'X-RAY DIFFRACTION' ? o_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? o_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? o_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? o_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? o_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? o_angle_deg ? ? ? ? 'X-RAY DIFFRACTION' ? o_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? o_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? o_dihedral_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? o_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? o_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? o_improper_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? o_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? o_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? o_mcbond_it 1.7 1.5 ? ? 'X-RAY DIFFRACTION' ? o_mcangle_it 2.8 2.5 ? ? 'X-RAY DIFFRACTION' ? o_scbond_it 2.0 2.0 ? ? 'X-RAY DIFFRACTION' ? o_scangle_it 3.1 3.0 ? ? 'X-RAY DIFFRACTION' ? # _struct.entry_id 2REN _struct.title 'STRUCTURE OF RECOMBINANT HUMAN RENIN, A TARGET FOR CARDIOVASCULAR-ACTIVE DRUGS, AT 2.5 ANGSTROMS RESOLUTION' _struct.pdbx_descriptor 'RENIN (E.C.3.4.23.15)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2REN _struct_keywords.pdbx_keywords 'HYDROLASE(ACID PROTEINASE)' _struct_keywords.text 'HYDROLASE(ACID PROTEINASE)' # 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 ? # _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 A ALA A 66 ? ASP A 68 ? ALA A 66 ASP A 68 5 ? 3 HELX_P HELX_P2 B ILE A 133 ? GLN A 135 ? ILE A 133 GLN A 135 5 ? 3 HELX_P HELX_P3 C ILE A 143 ? SER A 149 ? ILE A 143 SER A 149 1 ? 7 HELX_P HELX_P4 D THR A 236 ? GLU A 244 ? THR A 236 GLU A 244 1 ? 9 HELX_P HELX_P5 E SER A 281 ? TYR A 284 ? SER A 281 TYR A 284 1 ? 4 HELX_P HELX_P6 F ALA A 317 ? LYS A 322 ? ALA A 317 LYS A 322 1 ? 6 # _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 51 SG ? ? ? 1_555 A CYS 58 SG ? ? A CYS 51 A CYS 58 1_555 ? ? ? ? ? ? ? 1.995 ? disulf2 disulf ? ? A CYS 217 SG ? ? ? 1_555 A CYS 221 SG ? ? A CYS 217 A CYS 221 1_555 ? ? ? ? ? ? ? 2.002 ? disulf3 disulf ? ? A CYS 259 SG ? ? ? 1_555 A CYS 296 SG ? ? A CYS 259 A CYS 296 1_555 ? ? ? ? ? ? ? 2.040 ? covale1 covale ? ? A ASN 75 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 75 A NAG 341 1_555 ? ? ? ? ? ? ? 1.396 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 THR 28 A . ? THR 28 A PRO 29 A ? PRO 29 A 1 -0.69 2 PRO 307 A . ? PRO 307 A PRO 308 A ? PRO 308 A 1 1.87 3 GLY 310 A . ? GLY 310 A PRO 311 A ? PRO 311 A 1 0.45 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 6 ? C ? 2 ? D ? 4 ? E ? 6 ? F ? 5 ? G ? 4 ? H ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel B 4 5 ? anti-parallel B 5 6 ? anti-parallel C 1 2 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel E 1 2 ? parallel E 2 3 ? anti-parallel E 3 4 ? parallel E 4 5 ? anti-parallel E 5 6 ? anti-parallel F 1 2 ? anti-parallel F 2 3 ? parallel F 3 4 ? anti-parallel F 4 5 ? parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel H 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 THR A 6 ? THR A 6 ? THR A 6 THR A 6 A 2 LEU A 153 ? LEU A 153 ? LEU A 153 LEU A 153 B 1 SER A 8 ? LEU A 12 ? SER A 8 LEU A 12 B 2 GLY A 174 ? LEU A 178 ? GLY A 174 LEU A 178 B 3 VAL A 157 ? TYR A 162 ? VAL A 157 TYR A 162 B 4 PHE A 323 ? ASP A 328 ? PHE A 323 ASP A 328 B 5 ARG A 333 ? ALA A 339 ? ARG A 333 ALA A 339 B 6 TYR A 186 ? ASN A 194 ? TYR A 186 ASN A 194 C 1 THR A 13 ? TYR A 15 ? THR A 13 TYR A 15 C 2 GLN A 19 ? TYR A 21 ? GLN A 19 TYR A 21 D 1 ILE A 102 ? PHE A 108 ? ILE A 102 PHE A 108 D 2 SER A 93 ? VAL A 99 ? SER A 93 VAL A 99 D 3 GLY A 22 ? ILE A 26 ? GLY A 22 ILE A 26 D 4 GLN A 31 ? VAL A 35 ? GLN A 31 VAL A 35 E 1 VAL A 35 ? ASP A 38 ? VAL A 35 ASP A 38 E 2 GLY A 126 ? GLY A 129 ? GLY A 126 GLY A 129 E 3 VAL A 44 ? PRO A 47 ? VAL A 44 PRO A 47 E 4 GLY A 109 ? GLU A 113 ? GLY A 109 GLU A 113 E 5 THR A 87 ? LEU A 92 ? THR A 87 LEU A 92 E 6 GLU A 78 ? ARG A 82 ? GLU A 78 ARG A 82 F 1 GLN A 202 ? MET A 205 ? GLN A 202 MET A 205 F 2 CYS A 221 ? VAL A 225 ? CYS A 221 VAL A 225 F 3 TRP A 313 ? LEU A 315 ? TRP A 313 LEU A 315 F 4 ILE A 232 ? GLY A 234 ? ILE A 232 GLY A 234 F 5 ILE A 300 ? ALA A 302 ? ILE A 300 ALA A 302 G 1 LEU A 216 ? LEU A 216 ? LEU A 216 LEU A 216 G 2 MET A 205 ? SER A 209 ? MET A 205 SER A 209 G 3 ILE A 268 ? LEU A 272 ? ILE A 268 LEU A 272 G 4 LYS A 275 ? LEU A 279 ? LYS A 275 LEU A 279 H 1 VAL A 256 ? VAL A 257 ? VAL A 256 VAL A 257 H 2 CYS A 296 ? THR A 297 ? CYS A 296 THR A 297 # 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 B 1 2 N SER A 8 ? N SER A 8 O LEU A 178 ? O LEU A 178 B 2 3 O LEU A 178 ? O LEU A 178 N PHE A 158 ? N PHE A 158 B 3 4 O PHE A 160 ? O PHE A 160 N THR A 325 ? N THR A 325 B 4 5 O ASP A 328 ? O ASP A 328 N ARG A 333 ? N ARG A 333 B 5 6 O ALA A 339 ? O ALA A 339 N TYR A 186 ? N TYR A 186 C 1 2 N THR A 13 ? N THR A 13 O TYR A 21 ? O TYR A 21 D 1 2 O PHE A 108 ? O PHE A 108 N SER A 93 ? N SER A 93 D 2 3 N ILE A 97 ? N ILE A 97 O ILE A 26 ? O ILE A 26 D 3 4 O ILE A 26 ? O ILE A 26 N GLN A 31 ? N GLN A 31 E 1 2 N VAL A 35 ? N VAL A 35 O GLY A 126 ? O GLY A 126 E 2 3 O VAL A 128 ? O VAL A 128 N VAL A 44 ? N VAL A 44 E 3 4 N TRP A 45 ? N TRP A 45 O GLY A 109 ? O GLY A 109 E 4 5 O VAL A 111 ? O VAL A 111 N GLY A 90 ? N GLY A 90 E 5 6 O PHE A 91 ? O PHE A 91 N GLU A 78 ? N GLU A 78 F 1 2 N GLN A 202 ? N GLN A 202 O LEU A 224 ? O LEU A 224 F 2 3 N ALA A 223 ? N ALA A 223 O TRP A 313 ? O TRP A 313 F 3 4 O LEU A 315 ? O LEU A 315 N ILE A 232 ? N ILE A 232 F 4 5 N ILE A 232 ? N ILE A 232 O ILE A 300 ? O ILE A 300 G 1 2 N LEU A 216 ? N LEU A 216 O VAL A 208 ? O VAL A 208 G 2 3 N MET A 205 ? N MET A 205 O LEU A 272 ? O LEU A 272 G 3 4 N ILE A 268 ? N ILE A 268 O LEU A 279 ? O LEU A 279 H 1 2 N VAL A 256 ? N VAL A 256 O THR A 297 ? O THR A 297 # _struct_site.id AC1 _struct_site.pdbx_evidence_code Software _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 1 _struct_site.details 'BINDING SITE FOR RESIDUE NAG A 341' # _struct_site_gen.id 1 _struct_site_gen.site_id AC1 _struct_site_gen.pdbx_num_res 1 _struct_site_gen.label_comp_id ASN _struct_site_gen.label_asym_id A _struct_site_gen.label_seq_id 75 _struct_site_gen.pdbx_auth_ins_code ? _struct_site_gen.auth_comp_id ASN _struct_site_gen.auth_asym_id A _struct_site_gen.auth_seq_id 75 _struct_site_gen.label_atom_id . _struct_site_gen.label_alt_id ? _struct_site_gen.symmetry 1_555 _struct_site_gen.details ? # _database_PDB_matrix.entry_id 2REN _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 2REN _atom_sites.fract_transf_matrix[1][1] 0.007458 _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] 0.007458 _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] 0.023821 _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_sites_footnote.id _atom_sites_footnote.text 1 'CIS PROLINE - PRO 29' 2 'CIS PROLINE - PRO 308' 3 'CIS PROLINE - PRO 311' 4 ;ATOMS IN THE FOLLOWING RESIDUES HAVE BEEN ASSIGNED A TEMPERATURE FACTOR OF 99.99 INDICATING THAT THE ASSOCIATED ELECTRON DENSITY IS VERY POOR: ARG 82 - GLY 86 SER 213 - THR 214 ALA 248 - ASP 254 ; # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . GLY A 1 4 ? -0.262 59.874 11.858 1.00 36.88 ? 4 GLY A N 1 ATOM 2 C CA . GLY A 1 4 ? -0.179 58.830 10.858 1.00 38.01 ? 4 GLY A CA 1 ATOM 3 C C . GLY A 1 4 ? 1.098 58.115 10.472 1.00 37.61 ? 4 GLY A C 1 ATOM 4 O O . GLY A 1 4 ? 0.981 57.408 9.436 1.00 37.88 ? 4 GLY A O 1 ATOM 5 N N . ASN A 1 5 ? 2.235 58.240 11.180 1.00 36.83 ? 5 ASN A N 1 ATOM 6 C CA . ASN A 1 5 ? 3.453 57.514 10.735 1.00 34.37 ? 5 ASN A CA 1 ATOM 7 C C . ASN A 1 5 ? 3.257 56.090 11.276 1.00 33.22 ? 5 ASN A C 1 ATOM 8 O O . ASN A 1 5 ? 3.378 55.797 12.463 1.00 33.00 ? 5 ASN A O 1 ATOM 9 C CB . ASN A 1 5 ? 4.798 58.157 10.950 1.00 34.24 ? 5 ASN A CB 1 ATOM 10 C CG . ASN A 1 5 ? 5.246 58.602 9.554 1.00 36.12 ? 5 ASN A CG 1 ATOM 11 O OD1 . ASN A 1 5 ? 4.410 58.681 8.628 1.00 36.94 ? 5 ASN A OD1 1 ATOM 12 N ND2 . ASN A 1 5 ? 6.525 58.900 9.344 1.00 37.58 ? 5 ASN A ND2 1 ATOM 13 N N . THR A 1 6 ? 2.944 55.347 10.226 1.00 31.85 ? 6 THR A N 1 ATOM 14 C CA . THR A 1 6 ? 2.612 53.943 10.347 1.00 31.28 ? 6 THR A CA 1 ATOM 15 C C . THR A 1 6 ? 3.542 52.772 10.335 1.00 29.67 ? 6 THR A C 1 ATOM 16 O O . THR A 1 6 ? 4.646 52.759 9.881 1.00 30.85 ? 6 THR A O 1 ATOM 17 C CB . THR A 1 6 ? 1.430 53.758 9.272 1.00 30.67 ? 6 THR A CB 1 ATOM 18 O OG1 . THR A 1 6 ? 0.461 54.684 9.862 1.00 30.71 ? 6 THR A OG1 1 ATOM 19 C CG2 . THR A 1 6 ? 0.786 52.392 9.127 1.00 30.58 ? 6 THR A CG2 1 ATOM 20 N N . THR A 1 7 ? 2.953 51.741 10.909 1.00 28.30 ? 7 THR A N 1 ATOM 21 C CA . THR A 1 7 ? 3.319 50.382 11.170 1.00 26.97 ? 7 THR A CA 1 ATOM 22 C C . THR A 1 7 ? 2.196 49.328 11.112 1.00 23.13 ? 7 THR A C 1 ATOM 23 O O . THR A 1 7 ? 1.459 49.314 12.108 1.00 22.68 ? 7 THR A O 1 ATOM 24 C CB . THR A 1 7 ? 3.922 50.223 12.637 1.00 28.08 ? 7 THR A CB 1 ATOM 25 O OG1 . THR A 1 7 ? 4.858 51.333 12.702 1.00 30.62 ? 7 THR A OG1 1 ATOM 26 C CG2 . THR A 1 7 ? 4.486 48.824 12.876 1.00 27.50 ? 7 THR A CG2 1 ATOM 27 N N . SER A 1 8 ? 2.080 48.528 10.079 1.00 19.00 ? 8 SER A N 1 ATOM 28 C CA . SER A 1 8 ? 1.022 47.499 10.050 1.00 18.14 ? 8 SER A CA 1 ATOM 29 C C . SER A 1 8 ? 1.718 46.153 10.381 1.00 15.75 ? 8 SER A C 1 ATOM 30 O O . SER A 1 8 ? 2.921 45.900 10.186 1.00 11.77 ? 8 SER A O 1 ATOM 31 C CB . SER A 1 8 ? 0.233 47.340 8.784 1.00 20.02 ? 8 SER A CB 1 ATOM 32 O OG . SER A 1 8 ? 0.075 48.613 8.164 1.00 24.69 ? 8 SER A OG 1 ATOM 33 N N . SER A 1 9 ? 0.867 45.308 10.906 1.00 14.43 ? 9 SER A N 1 ATOM 34 C CA . SER A 1 9 ? 1.290 43.952 11.332 1.00 14.26 ? 9 SER A CA 1 ATOM 35 C C . SER A 1 9 ? 0.386 42.918 10.703 1.00 13.96 ? 9 SER A C 1 ATOM 36 O O . SER A 1 9 ? -0.847 43.053 10.730 1.00 15.29 ? 9 SER A O 1 ATOM 37 C CB . SER A 1 9 ? 1.320 43.919 12.837 1.00 14.78 ? 9 SER A CB 1 ATOM 38 O OG . SER A 1 9 ? 2.001 42.797 13.349 1.00 17.89 ? 9 SER A OG 1 ATOM 39 N N . VAL A 1 10 ? 0.987 41.906 10.147 1.00 12.40 ? 10 VAL A N 1 ATOM 40 C CA . VAL A 1 10 ? 0.278 40.780 9.481 1.00 9.65 ? 10 VAL A CA 1 ATOM 41 C C . VAL A 1 10 ? 0.851 39.551 10.178 1.00 9.37 ? 10 VAL A C 1 ATOM 42 O O . VAL A 1 10 ? 2.092 39.389 10.264 1.00 7.40 ? 10 VAL A O 1 ATOM 43 C CB . VAL A 1 10 ? 0.527 40.949 7.978 1.00 9.44 ? 10 VAL A CB 1 ATOM 44 C CG1 . VAL A 1 10 ? 0.059 39.840 7.084 1.00 6.74 ? 10 VAL A CG1 1 ATOM 45 C CG2 . VAL A 1 10 ? -0.056 42.284 7.498 1.00 11.06 ? 10 VAL A CG2 1 ATOM 46 N N . ILE A 1 11 ? -0.076 38.755 10.662 1.00 9.86 ? 11 ILE A N 1 ATOM 47 C CA . ILE A 1 11 ? 0.288 37.497 11.370 1.00 10.45 ? 11 ILE A CA 1 ATOM 48 C C . ILE A 1 11 ? 0.112 36.353 10.349 1.00 11.40 ? 11 ILE A C 1 ATOM 49 O O . ILE A 1 11 ? -0.816 36.207 9.514 1.00 10.90 ? 11 ILE A O 1 ATOM 50 C CB . ILE A 1 11 ? -0.223 37.538 12.818 1.00 11.19 ? 11 ILE A CB 1 ATOM 51 C CG1 . ILE A 1 11 ? -1.282 36.439 13.052 1.00 11.51 ? 11 ILE A CG1 1 ATOM 52 C CG2 . ILE A 1 11 ? -0.666 38.920 13.344 1.00 15.08 ? 11 ILE A CG2 1 ATOM 53 C CD1 . ILE A 1 11 ? -0.488 35.197 13.593 1.00 9.12 ? 11 ILE A CD1 1 ATOM 54 N N . LEU A 1 12 ? 1.156 35.510 10.409 1.00 9.48 ? 12 LEU A N 1 ATOM 55 C CA . LEU A 1 12 ? 1.293 34.377 9.504 1.00 9.90 ? 12 LEU A CA 1 ATOM 56 C C . LEU A 1 12 ? 1.061 33.006 10.086 1.00 10.88 ? 12 LEU A C 1 ATOM 57 O O . LEU A 1 12 ? 1.223 32.664 11.260 1.00 13.01 ? 12 LEU A O 1 ATOM 58 C CB . LEU A 1 12 ? 2.686 34.480 8.810 1.00 7.77 ? 12 LEU A CB 1 ATOM 59 C CG . LEU A 1 12 ? 3.476 35.607 8.196 1.00 2.00 ? 12 LEU A CG 1 ATOM 60 C CD1 . LEU A 1 12 ? 4.898 35.168 7.833 1.00 2.00 ? 12 LEU A CD1 1 ATOM 61 C CD2 . LEU A 1 12 ? 2.942 36.062 6.858 1.00 2.00 ? 12 LEU A CD2 1 ATOM 62 N N . THR A 1 13 ? 0.667 32.153 9.145 1.00 12.16 ? 13 THR A N 1 ATOM 63 C CA . THR A 1 13 ? 0.396 30.741 9.457 1.00 12.20 ? 13 THR A CA 1 ATOM 64 C C . THR A 1 13 ? 1.614 29.900 9.043 1.00 12.66 ? 13 THR A C 1 ATOM 65 O O . THR A 1 13 ? 2.059 30.100 7.928 1.00 7.86 ? 13 THR A O 1 ATOM 66 C CB . THR A 1 13 ? -0.919 30.297 8.739 1.00 12.32 ? 13 THR A CB 1 ATOM 67 O OG1 . THR A 1 13 ? -1.920 31.330 9.057 1.00 13.72 ? 13 THR A OG1 1 ATOM 68 C CG2 . THR A 1 13 ? -1.172 28.874 9.200 1.00 12.12 ? 13 THR A CG2 1 ATOM 69 N N . ASN A 1 14 ? 2.046 29.018 9.938 1.00 16.25 ? 14 ASN A N 1 ATOM 70 C CA . ASN A 1 14 ? 3.163 28.130 9.758 1.00 18.65 ? 14 ASN A CA 1 ATOM 71 C C . ASN A 1 14 ? 2.742 26.693 9.422 1.00 22.10 ? 14 ASN A C 1 ATOM 72 O O . ASN A 1 14 ? 2.438 25.785 10.234 1.00 25.55 ? 14 ASN A O 1 ATOM 73 C CB . ASN A 1 14 ? 4.182 28.131 10.929 1.00 18.25 ? 14 ASN A CB 1 ATOM 74 C CG . ASN A 1 14 ? 5.311 27.133 10.768 1.00 16.01 ? 14 ASN A CG 1 ATOM 75 O OD1 . ASN A 1 14 ? 5.563 26.674 9.640 1.00 14.25 ? 14 ASN A OD1 1 ATOM 76 N ND2 . ASN A 1 14 ? 6.014 26.751 11.834 1.00 15.28 ? 14 ASN A ND2 1 ATOM 77 N N . TYR A 1 15 ? 2.783 26.497 8.109 1.00 23.02 ? 15 TYR A N 1 ATOM 78 C CA . TYR A 1 15 ? 2.456 25.195 7.530 1.00 22.78 ? 15 TYR A CA 1 ATOM 79 C C . TYR A 1 15 ? 3.764 24.406 7.505 1.00 21.91 ? 15 TYR A C 1 ATOM 80 O O . TYR A 1 15 ? 4.529 24.486 6.552 1.00 21.27 ? 15 TYR A O 1 ATOM 81 C CB . TYR A 1 15 ? 1.833 25.315 6.141 1.00 24.82 ? 15 TYR A CB 1 ATOM 82 C CG . TYR A 1 15 ? 1.542 23.896 5.701 1.00 28.47 ? 15 TYR A CG 1 ATOM 83 C CD1 . TYR A 1 15 ? 0.484 23.193 6.270 1.00 28.80 ? 15 TYR A CD1 1 ATOM 84 C CD2 . TYR A 1 15 ? 2.338 23.288 4.737 1.00 29.61 ? 15 TYR A CD2 1 ATOM 85 C CE1 . TYR A 1 15 ? 0.210 21.889 5.878 1.00 30.64 ? 15 TYR A CE1 1 ATOM 86 C CE2 . TYR A 1 15 ? 2.074 21.989 4.333 1.00 31.76 ? 15 TYR A CE2 1 ATOM 87 C CZ . TYR A 1 15 ? 1.008 21.290 4.908 1.00 32.21 ? 15 TYR A CZ 1 ATOM 88 O OH . TYR A 1 15 ? 0.733 20.004 4.521 1.00 32.93 ? 15 TYR A OH 1 ATOM 89 N N . MET A 1 16 ? 3.989 23.675 8.541 1.00 21.61 ? 16 MET A N 1 ATOM 90 C CA . MET A 1 16 ? 5.100 22.785 8.856 1.00 22.45 ? 16 MET A CA 1 ATOM 91 C C . MET A 1 16 ? 6.521 23.266 8.544 1.00 21.46 ? 16 MET A C 1 ATOM 92 O O . MET A 1 16 ? 7.296 22.523 7.894 1.00 19.90 ? 16 MET A O 1 ATOM 93 C CB . MET A 1 16 ? 4.845 21.378 8.297 1.00 24.87 ? 16 MET A CB 1 ATOM 94 C CG . MET A 1 16 ? 4.250 21.151 6.953 1.00 29.13 ? 16 MET A CG 1 ATOM 95 S SD . MET A 1 16 ? 3.691 19.416 6.637 1.00 31.04 ? 16 MET A SD 1 ATOM 96 C CE . MET A 1 16 ? 2.937 19.021 8.215 1.00 29.84 ? 16 MET A CE 1 ATOM 97 N N . ASP A 1 17 ? 6.849 24.462 9.014 1.00 19.38 ? 17 ASP A N 1 ATOM 98 C CA . ASP A 1 17 ? 8.171 25.081 8.816 1.00 18.35 ? 17 ASP A CA 1 ATOM 99 C C . ASP A 1 17 ? 8.533 25.278 7.345 1.00 18.19 ? 17 ASP A C 1 ATOM 100 O O . ASP A 1 17 ? 9.592 25.830 6.984 1.00 21.41 ? 17 ASP A O 1 ATOM 101 C CB . ASP A 1 17 ? 9.232 24.292 9.588 1.00 19.25 ? 17 ASP A CB 1 ATOM 102 C CG . ASP A 1 17 ? 8.999 24.407 11.074 1.00 21.18 ? 17 ASP A CG 1 ATOM 103 O OD1 . ASP A 1 17 ? 8.847 25.529 11.582 1.00 22.61 ? 17 ASP A OD1 1 ATOM 104 O OD2 . ASP A 1 17 ? 8.955 23.367 11.747 1.00 21.22 ? 17 ASP A OD2 1 ATOM 105 N N . THR A 1 18 ? 7.707 24.862 6.421 1.00 16.14 ? 18 THR A N 1 ATOM 106 C CA . THR A 1 18 ? 7.957 24.998 4.990 1.00 13.92 ? 18 THR A CA 1 ATOM 107 C C . THR A 1 18 ? 7.165 26.087 4.327 1.00 13.09 ? 18 THR A C 1 ATOM 108 O O . THR A 1 18 ? 7.683 26.617 3.354 1.00 13.44 ? 18 THR A O 1 ATOM 109 C CB . THR A 1 18 ? 7.767 23.624 4.240 1.00 13.60 ? 18 THR A CB 1 ATOM 110 O OG1 . THR A 1 18 ? 6.339 23.375 4.337 1.00 10.34 ? 18 THR A OG1 1 ATOM 111 C CG2 . THR A 1 18 ? 8.779 22.654 4.837 1.00 11.97 ? 18 THR A CG2 1 ATOM 112 N N . GLN A 1 19 ? 6.007 26.411 4.825 1.00 14.04 ? 19 GLN A N 1 ATOM 113 C CA . GLN A 1 19 ? 5.173 27.465 4.257 1.00 12.71 ? 19 GLN A CA 1 ATOM 114 C C . GLN A 1 19 ? 4.677 28.404 5.373 1.00 12.59 ? 19 GLN A C 1 ATOM 115 O O . GLN A 1 19 ? 4.021 27.950 6.334 1.00 8.53 ? 19 GLN A O 1 ATOM 116 C CB . GLN A 1 19 ? 3.979 26.983 3.449 1.00 13.13 ? 19 GLN A CB 1 ATOM 117 C CG . GLN A 1 19 ? 4.372 25.999 2.334 1.00 18.21 ? 19 GLN A CG 1 ATOM 118 C CD . GLN A 1 19 ? 3.091 25.454 1.711 1.00 19.63 ? 19 GLN A CD 1 ATOM 119 O OE1 . GLN A 1 19 ? 2.347 26.270 1.151 1.00 22.47 ? 19 GLN A OE1 1 ATOM 120 N NE2 . GLN A 1 19 ? 2.806 24.166 1.800 1.00 18.98 ? 19 GLN A NE2 1 ATOM 121 N N . TYR A 1 20 ? 5.066 29.666 5.121 1.00 11.19 ? 20 TYR A N 1 ATOM 122 C CA . TYR A 1 20 ? 4.615 30.691 6.106 1.00 11.29 ? 20 TYR A CA 1 ATOM 123 C C . TYR A 1 20 ? 3.691 31.549 5.230 1.00 11.19 ? 20 TYR A C 1 ATOM 124 O O . TYR A 1 20 ? 4.256 31.905 4.186 1.00 9.52 ? 20 TYR A O 1 ATOM 125 C CB . TYR A 1 20 ? 5.740 31.371 6.814 1.00 12.55 ? 20 TYR A CB 1 ATOM 126 C CG . TYR A 1 20 ? 6.643 30.463 7.634 1.00 13.20 ? 20 TYR A CG 1 ATOM 127 C CD1 . TYR A 1 20 ? 7.534 29.544 7.068 1.00 11.97 ? 20 TYR A CD1 1 ATOM 128 C CD2 . TYR A 1 20 ? 6.592 30.559 9.014 1.00 10.44 ? 20 TYR A CD2 1 ATOM 129 C CE1 . TYR A 1 20 ? 8.334 28.759 7.873 1.00 10.58 ? 20 TYR A CE1 1 ATOM 130 C CE2 . TYR A 1 20 ? 7.381 29.785 9.825 1.00 10.67 ? 20 TYR A CE2 1 ATOM 131 C CZ . TYR A 1 20 ? 8.254 28.881 9.255 1.00 11.07 ? 20 TYR A CZ 1 ATOM 132 O OH . TYR A 1 20 ? 9.006 28.137 10.132 1.00 11.86 ? 20 TYR A OH 1 ATOM 133 N N . TYR A 1 21 ? 2.435 31.816 5.610 1.00 10.67 ? 21 TYR A N 1 ATOM 134 C CA . TYR A 1 21 ? 1.667 32.656 4.674 1.00 12.54 ? 21 TYR A CA 1 ATOM 135 C C . TYR A 1 21 ? 0.727 33.641 5.356 1.00 15.11 ? 21 TYR A C 1 ATOM 136 O O . TYR A 1 21 ? 0.570 33.548 6.598 1.00 19.43 ? 21 TYR A O 1 ATOM 137 C CB . TYR A 1 21 ? 0.888 31.856 3.659 1.00 12.57 ? 21 TYR A CB 1 ATOM 138 C CG . TYR A 1 21 ? 0.073 30.705 4.207 1.00 13.09 ? 21 TYR A CG 1 ATOM 139 C CD1 . TYR A 1 21 ? 0.746 29.509 4.503 1.00 13.39 ? 21 TYR A CD1 1 ATOM 140 C CD2 . TYR A 1 21 ? -1.304 30.796 4.395 1.00 11.26 ? 21 TYR A CD2 1 ATOM 141 C CE1 . TYR A 1 21 ? 0.040 28.412 4.992 1.00 13.60 ? 21 TYR A CE1 1 ATOM 142 C CE2 . TYR A 1 21 ? -1.983 29.693 4.887 1.00 13.82 ? 21 TYR A CE2 1 ATOM 143 C CZ . TYR A 1 21 ? -1.329 28.515 5.189 1.00 13.51 ? 21 TYR A CZ 1 ATOM 144 O OH . TYR A 1 21 ? -1.966 27.401 5.680 1.00 15.80 ? 21 TYR A OH 1 ATOM 145 N N . GLY A 1 22 ? 0.157 34.532 4.561 1.00 13.72 ? 22 GLY A N 1 ATOM 146 C CA . GLY A 1 22 ? -0.739 35.519 5.183 1.00 14.31 ? 22 GLY A CA 1 ATOM 147 C C . GLY A 1 22 ? -2.000 35.717 4.349 1.00 14.04 ? 22 GLY A C 1 ATOM 148 O O . GLY A 1 22 ? -2.244 35.092 3.303 1.00 13.63 ? 22 GLY A O 1 ATOM 149 N N . GLU A 1 23 ? -2.737 36.645 4.922 1.00 12.93 ? 23 GLU A N 1 ATOM 150 C CA . GLU A 1 23 ? -4.002 37.093 4.356 1.00 11.28 ? 23 GLU A CA 1 ATOM 151 C C . GLU A 1 23 ? -3.865 38.549 3.901 1.00 10.33 ? 23 GLU A C 1 ATOM 152 O O . GLU A 1 23 ? -3.265 39.391 4.593 1.00 9.50 ? 23 GLU A O 1 ATOM 153 C CB . GLU A 1 23 ? -5.119 37.076 5.381 1.00 13.35 ? 23 GLU A CB 1 ATOM 154 C CG . GLU A 1 23 ? -6.003 35.847 5.164 1.00 19.65 ? 23 GLU A CG 1 ATOM 155 C CD . GLU A 1 23 ? -7.023 35.496 6.188 1.00 24.49 ? 23 GLU A CD 1 ATOM 156 O OE1 . GLU A 1 23 ? -7.777 36.441 6.531 1.00 24.35 ? 23 GLU A OE1 1 ATOM 157 O OE2 . GLU A 1 23 ? -7.016 34.333 6.596 1.00 28.63 ? 23 GLU A OE2 1 ATOM 158 N N . ILE A 1 24 ? -4.430 38.729 2.731 1.00 6.83 ? 24 ILE A N 1 ATOM 159 C CA . ILE A 1 24 ? -4.505 40.013 2.041 1.00 5.32 ? 24 ILE A CA 1 ATOM 160 C C . ILE A 1 24 ? -5.952 40.092 1.517 1.00 6.99 ? 24 ILE A C 1 ATOM 161 O O . ILE A 1 24 ? -6.563 38.988 1.352 1.00 7.18 ? 24 ILE A O 1 ATOM 162 C CB . ILE A 1 24 ? -3.322 40.244 1.072 1.00 2.73 ? 24 ILE A CB 1 ATOM 163 C CG1 . ILE A 1 24 ? -3.363 39.371 -0.192 1.00 2.00 ? 24 ILE A CG1 1 ATOM 164 C CG2 . ILE A 1 24 ? -1.941 40.187 1.794 1.00 2.00 ? 24 ILE A CG2 1 ATOM 165 C CD1 . ILE A 1 24 ? -2.859 40.259 -1.395 1.00 2.00 ? 24 ILE A CD1 1 ATOM 166 N N . GLY A 1 25 ? -6.494 41.268 1.294 1.00 5.83 ? 25 GLY A N 1 ATOM 167 C CA . GLY A 1 25 ? -7.872 41.452 0.785 1.00 5.72 ? 25 GLY A CA 1 ATOM 168 C C . GLY A 1 25 ? -7.729 42.130 -0.576 1.00 8.11 ? 25 GLY A C 1 ATOM 169 O O . GLY A 1 25 ? -6.883 43.043 -0.613 1.00 7.03 ? 25 GLY A O 1 ATOM 170 N N . ILE A 1 26 ? -8.471 41.746 -1.622 1.00 9.07 ? 26 ILE A N 1 ATOM 171 C CA . ILE A 1 26 ? -8.315 42.398 -2.942 1.00 8.55 ? 26 ILE A CA 1 ATOM 172 C C . ILE A 1 26 ? -9.669 42.916 -3.384 1.00 10.22 ? 26 ILE A C 1 ATOM 173 O O . ILE A 1 26 ? -10.668 42.190 -3.393 1.00 11.04 ? 26 ILE A O 1 ATOM 174 C CB . ILE A 1 26 ? -7.699 41.478 -4.047 1.00 5.91 ? 26 ILE A CB 1 ATOM 175 C CG1 . ILE A 1 26 ? -6.314 40.908 -3.670 1.00 5.82 ? 26 ILE A CG1 1 ATOM 176 C CG2 . ILE A 1 26 ? -7.581 42.191 -5.433 1.00 4.97 ? 26 ILE A CG2 1 ATOM 177 C CD1 . ILE A 1 26 ? -5.900 39.551 -4.320 1.00 2.43 ? 26 ILE A CD1 1 ATOM 178 N N . GLY A 1 27 ? -9.716 44.183 -3.726 1.00 11.58 ? 27 GLY A N 1 ATOM 179 C CA . GLY A 1 27 ? -10.896 44.873 -4.178 1.00 10.35 ? 27 GLY A CA 1 ATOM 180 C C . GLY A 1 27 ? -11.765 45.568 -3.183 1.00 10.23 ? 27 GLY A C 1 ATOM 181 O O . GLY A 1 27 ? -11.405 45.815 -2.037 1.00 12.55 ? 27 GLY A O 1 ATOM 182 N N . THR A 1 28 ? -12.953 45.903 -3.641 1.00 9.96 ? 28 THR A N 1 ATOM 183 C CA . THR A 1 28 ? -13.966 46.588 -2.861 1.00 9.62 ? 28 THR A CA 1 ATOM 184 C C . THR A 1 28 ? -15.337 45.926 -2.973 1.00 8.13 ? 28 THR A C 1 ATOM 185 O O . THR A 1 28 ? -15.977 46.133 -4.016 1.00 7.13 ? 28 THR A O 1 ATOM 186 C CB . THR A 1 28 ? -14.077 48.115 -3.293 1.00 11.55 ? 28 THR A CB 1 ATOM 187 O OG1 . THR A 1 28 ? -12.773 48.828 -3.323 1.00 14.59 ? 28 THR A OG1 1 ATOM 188 C CG2 . THR A 1 28 ? -15.082 48.744 -2.311 1.00 11.88 ? 28 THR A CG2 1 ATOM 189 N N . PRO A 1 29 ? -15.793 45.183 -1.984 1.00 7.45 ? 29 PRO A N 1 ATOM 190 C CA . PRO A 1 29 ? -15.140 44.869 -0.729 1.00 6.88 ? 29 PRO A CA 1 ATOM 191 C C . PRO A 1 29 ? -14.157 43.729 -0.950 1.00 8.83 ? 29 PRO A C 1 ATOM 192 O O . PRO A 1 29 ? -14.368 43.083 -1.968 1.00 8.50 ? 29 PRO A O 1 ATOM 193 C CB . PRO A 1 29 ? -16.283 44.438 0.160 1.00 5.89 ? 29 PRO A CB 1 ATOM 194 C CG . PRO A 1 29 ? -17.372 43.891 -0.726 1.00 5.50 ? 29 PRO A CG 1 ATOM 195 C CD . PRO A 1 29 ? -17.142 44.539 -2.083 1.00 7.29 ? 29 PRO A CD 1 ATOM 196 N N . PRO A 1 30 ? -13.212 43.528 -0.049 1.00 9.39 ? 30 PRO A N 1 ATOM 197 C CA . PRO A 1 30 ? -12.205 42.528 -0.096 1.00 9.63 ? 30 PRO A CA 1 ATOM 198 C C . PRO A 1 30 ? -12.428 41.025 -0.140 1.00 10.70 ? 30 PRO A C 1 ATOM 199 O O . PRO A 1 30 ? -13.182 40.380 0.591 1.00 12.14 ? 30 PRO A O 1 ATOM 200 C CB . PRO A 1 30 ? -11.331 42.794 1.177 1.00 9.48 ? 30 PRO A CB 1 ATOM 201 C CG . PRO A 1 30 ? -11.529 44.278 1.345 1.00 10.01 ? 30 PRO A CG 1 ATOM 202 C CD . PRO A 1 30 ? -13.051 44.394 1.164 1.00 9.95 ? 30 PRO A CD 1 ATOM 203 N N . GLN A 1 31 ? -11.661 40.475 -1.099 1.00 10.44 ? 31 GLN A N 1 ATOM 204 C CA . GLN A 1 31 ? -11.701 39.005 -1.285 1.00 9.78 ? 31 GLN A CA 1 ATOM 205 C C . GLN A 1 31 ? -10.411 38.707 -0.505 1.00 8.75 ? 31 GLN A C 1 ATOM 206 O O . GLN A 1 31 ? -9.410 39.336 -0.907 1.00 8.93 ? 31 GLN A O 1 ATOM 207 C CB . GLN A 1 31 ? -11.858 38.535 -2.717 1.00 8.63 ? 31 GLN A CB 1 ATOM 208 C CG . GLN A 1 31 ? -13.265 38.832 -3.166 1.00 8.95 ? 31 GLN A CG 1 ATOM 209 C CD . GLN A 1 31 ? -13.462 39.175 -4.611 1.00 9.10 ? 31 GLN A CD 1 ATOM 210 O OE1 . GLN A 1 31 ? -12.981 38.415 -5.466 1.00 11.03 ? 31 GLN A OE1 1 ATOM 211 N NE2 . GLN A 1 31 ? -14.166 40.282 -4.804 1.00 9.19 ? 31 GLN A NE2 1 ATOM 212 N N . THR A 1 32 ? -10.565 37.845 0.482 1.00 7.84 ? 32 THR A N 1 ATOM 213 C CA . THR A 1 32 ? -9.389 37.494 1.275 1.00 9.63 ? 32 THR A CA 1 ATOM 214 C C . THR A 1 32 ? -8.691 36.284 0.665 1.00 9.03 ? 32 THR A C 1 ATOM 215 O O . THR A 1 32 ? -9.223 35.208 0.369 1.00 11.52 ? 32 THR A O 1 ATOM 216 C CB . THR A 1 32 ? -9.634 37.327 2.821 1.00 10.58 ? 32 THR A CB 1 ATOM 217 O OG1 . THR A 1 32 ? -11.075 37.221 2.961 1.00 12.09 ? 32 THR A OG1 1 ATOM 218 C CG2 . THR A 1 32 ? -9.084 38.511 3.618 1.00 9.05 ? 32 THR A CG2 1 ATOM 219 N N . PHE A 1 33 ? -7.402 36.495 0.462 1.00 9.00 ? 33 PHE A N 1 ATOM 220 C CA . PHE A 1 33 ? -6.501 35.490 -0.103 1.00 8.66 ? 33 PHE A CA 1 ATOM 221 C C . PHE A 1 33 ? -5.347 35.229 0.861 1.00 7.50 ? 33 PHE A C 1 ATOM 222 O O . PHE A 1 33 ? -4.979 36.111 1.604 1.00 9.10 ? 33 PHE A O 1 ATOM 223 C CB . PHE A 1 33 ? -5.893 35.892 -1.432 1.00 9.59 ? 33 PHE A CB 1 ATOM 224 C CG . PHE A 1 33 ? -6.874 35.988 -2.538 1.00 8.39 ? 33 PHE A CG 1 ATOM 225 C CD1 . PHE A 1 33 ? -7.613 37.158 -2.665 1.00 8.39 ? 33 PHE A CD1 1 ATOM 226 C CD2 . PHE A 1 33 ? -7.040 34.931 -3.424 1.00 9.59 ? 33 PHE A CD2 1 ATOM 227 C CE1 . PHE A 1 33 ? -8.541 37.299 -3.687 1.00 8.24 ? 33 PHE A CE1 1 ATOM 228 C CE2 . PHE A 1 33 ? -7.967 35.026 -4.476 1.00 8.28 ? 33 PHE A CE2 1 ATOM 229 C CZ . PHE A 1 33 ? -8.680 36.239 -4.549 1.00 10.26 ? 33 PHE A CZ 1 ATOM 230 N N . LYS A 1 34 ? -4.851 34.043 0.799 1.00 7.24 ? 34 LYS A N 1 ATOM 231 C CA . LYS A 1 34 ? -3.736 33.499 1.561 1.00 6.63 ? 34 LYS A CA 1 ATOM 232 C C . LYS A 1 34 ? -2.557 33.615 0.572 1.00 6.61 ? 34 LYS A C 1 ATOM 233 O O . LYS A 1 34 ? -2.601 33.150 -0.594 1.00 4.86 ? 34 LYS A O 1 ATOM 234 C CB . LYS A 1 34 ? -4.049 32.096 2.026 1.00 8.39 ? 34 LYS A CB 1 ATOM 235 C CG . LYS A 1 34 ? -4.700 32.285 3.404 1.00 12.59 ? 34 LYS A CG 1 ATOM 236 C CD . LYS A 1 34 ? -5.776 31.319 3.808 1.00 12.23 ? 34 LYS A CD 1 ATOM 237 C CE . LYS A 1 34 ? -5.291 29.905 3.676 1.00 14.35 ? 34 LYS A CE 1 ATOM 238 N NZ . LYS A 1 34 ? -5.692 29.486 2.294 1.00 18.52 ? 34 LYS A NZ 1 ATOM 239 N N . VAL A 1 35 ? -1.536 34.274 1.106 1.00 4.27 ? 35 VAL A N 1 ATOM 240 C CA . VAL A 1 35 ? -0.358 34.495 0.281 1.00 2.00 ? 35 VAL A CA 1 ATOM 241 C C . VAL A 1 35 ? 0.952 34.381 1.004 1.00 2.00 ? 35 VAL A C 1 ATOM 242 O O . VAL A 1 35 ? 0.985 34.574 2.230 1.00 2.00 ? 35 VAL A O 1 ATOM 243 C CB . VAL A 1 35 ? -0.511 35.943 -0.249 1.00 2.11 ? 35 VAL A CB 1 ATOM 244 C CG1 . VAL A 1 35 ? -1.518 36.121 -1.378 1.00 2.00 ? 35 VAL A CG1 1 ATOM 245 C CG2 . VAL A 1 35 ? -0.727 36.969 0.880 1.00 2.00 ? 35 VAL A CG2 1 ATOM 246 N N . VAL A 1 36 ? 1.948 34.110 0.146 1.00 2.00 ? 36 VAL A N 1 ATOM 247 C CA . VAL A 1 36 ? 3.321 33.997 0.659 1.00 2.00 ? 36 VAL A CA 1 ATOM 248 C C . VAL A 1 36 ? 4.011 35.342 0.512 1.00 2.00 ? 36 VAL A C 1 ATOM 249 O O . VAL A 1 36 ? 3.843 35.878 -0.563 1.00 4.57 ? 36 VAL A O 1 ATOM 250 C CB . VAL A 1 36 ? 4.084 32.875 -0.070 1.00 2.00 ? 36 VAL A CB 1 ATOM 251 C CG1 . VAL A 1 36 ? 5.546 33.253 -0.136 1.00 2.00 ? 36 VAL A CG1 1 ATOM 252 C CG2 . VAL A 1 36 ? 3.850 31.544 0.623 1.00 2.00 ? 36 VAL A CG2 1 ATOM 253 N N . PHE A 1 37 ? 4.746 35.908 1.400 1.00 2.00 ? 37 PHE A N 1 ATOM 254 C CA . PHE A 1 37 ? 5.430 37.221 1.176 1.00 2.00 ? 37 PHE A CA 1 ATOM 255 C C . PHE A 1 37 ? 6.842 36.755 0.766 1.00 2.44 ? 37 PHE A C 1 ATOM 256 O O . PHE A 1 37 ? 7.611 36.075 1.477 1.00 3.63 ? 37 PHE A O 1 ATOM 257 C CB . PHE A 1 37 ? 5.146 38.012 2.386 1.00 2.00 ? 37 PHE A CB 1 ATOM 258 C CG . PHE A 1 37 ? 3.721 38.452 2.674 1.00 6.61 ? 37 PHE A CG 1 ATOM 259 C CD1 . PHE A 1 37 ? 3.276 39.715 2.141 1.00 5.34 ? 37 PHE A CD1 1 ATOM 260 C CD2 . PHE A 1 37 ? 2.851 37.695 3.455 1.00 2.00 ? 37 PHE A CD2 1 ATOM 261 C CE1 . PHE A 1 37 ? 1.994 40.146 2.389 1.00 2.00 ? 37 PHE A CE1 1 ATOM 262 C CE2 . PHE A 1 37 ? 1.564 38.197 3.664 1.00 2.78 ? 37 PHE A CE2 1 ATOM 263 C CZ . PHE A 1 37 ? 1.141 39.401 3.155 1.00 2.00 ? 37 PHE A CZ 1 ATOM 264 N N . ASP A 1 38 ? 7.265 37.095 -0.429 1.00 2.23 ? 38 ASP A N 1 ATOM 265 C CA . ASP A 1 38 ? 8.546 36.697 -0.994 1.00 2.17 ? 38 ASP A CA 1 ATOM 266 C C . ASP A 1 38 ? 9.538 37.640 -1.590 1.00 2.00 ? 38 ASP A C 1 ATOM 267 O O . ASP A 1 38 ? 9.414 38.111 -2.709 1.00 2.00 ? 38 ASP A O 1 ATOM 268 C CB . ASP A 1 38 ? 8.063 35.637 -2.040 1.00 2.00 ? 38 ASP A CB 1 ATOM 269 C CG . ASP A 1 38 ? 9.105 35.082 -2.934 1.00 2.97 ? 38 ASP A CG 1 ATOM 270 O OD1 . ASP A 1 38 ? 10.233 34.958 -2.426 1.00 2.00 ? 38 ASP A OD1 1 ATOM 271 O OD2 . ASP A 1 38 ? 8.776 34.776 -4.100 1.00 6.15 ? 38 ASP A OD2 1 ATOM 272 N N . THR A 1 39 ? 10.574 37.882 -0.803 1.00 2.00 ? 39 THR A N 1 ATOM 273 C CA . THR A 1 39 ? 11.704 38.735 -1.182 1.00 2.00 ? 39 THR A CA 1 ATOM 274 C C . THR A 1 39 ? 12.386 38.193 -2.443 1.00 2.00 ? 39 THR A C 1 ATOM 275 O O . THR A 1 39 ? 13.289 38.925 -2.918 1.00 4.28 ? 39 THR A O 1 ATOM 276 C CB . THR A 1 39 ? 12.786 38.880 -0.043 1.00 2.03 ? 39 THR A CB 1 ATOM 277 O OG1 . THR A 1 39 ? 13.193 37.612 0.566 1.00 3.09 ? 39 THR A OG1 1 ATOM 278 C CG2 . THR A 1 39 ? 12.161 39.740 1.057 1.00 3.89 ? 39 THR A CG2 1 ATOM 279 N N . GLY A 1 40 ? 12.053 37.025 -2.949 1.00 2.00 ? 40 GLY A N 1 ATOM 280 C CA . GLY A 1 40 ? 12.666 36.469 -4.130 1.00 2.00 ? 40 GLY A CA 1 ATOM 281 C C . GLY A 1 40 ? 11.954 36.789 -5.442 1.00 2.00 ? 40 GLY A C 1 ATOM 282 O O . GLY A 1 40 ? 12.484 36.640 -6.568 1.00 2.00 ? 40 GLY A O 1 ATOM 283 N N . SER A 1 41 ? 10.715 37.240 -5.282 1.00 2.00 ? 41 SER A N 1 ATOM 284 C CA . SER A 1 41 ? 9.883 37.596 -6.467 1.00 3.32 ? 41 SER A CA 1 ATOM 285 C C . SER A 1 41 ? 9.418 39.046 -6.304 1.00 5.18 ? 41 SER A C 1 ATOM 286 O O . SER A 1 41 ? 9.461 39.655 -5.218 1.00 6.16 ? 41 SER A O 1 ATOM 287 C CB . SER A 1 41 ? 8.846 36.502 -6.647 1.00 2.00 ? 41 SER A CB 1 ATOM 288 O OG . SER A 1 41 ? 7.526 37.041 -6.656 1.00 4.72 ? 41 SER A OG 1 ATOM 289 N N . SER A 1 42 ? 8.950 39.567 -7.426 1.00 5.74 ? 42 SER A N 1 ATOM 290 C CA . SER A 1 42 ? 8.458 40.919 -7.571 1.00 5.42 ? 42 SER A CA 1 ATOM 291 C C . SER A 1 42 ? 7.055 41.221 -8.085 1.00 6.35 ? 42 SER A C 1 ATOM 292 O O . SER A 1 42 ? 6.768 42.443 -8.175 1.00 7.82 ? 42 SER A O 1 ATOM 293 C CB . SER A 1 42 ? 9.460 41.630 -8.503 1.00 2.00 ? 42 SER A CB 1 ATOM 294 O OG . SER A 1 42 ? 10.522 41.995 -7.673 1.00 2.00 ? 42 SER A OG 1 ATOM 295 N N . ASN A 1 43 ? 6.249 40.267 -8.393 1.00 3.46 ? 43 ASN A N 1 ATOM 296 C CA . ASN A 1 43 ? 4.907 40.396 -8.885 1.00 3.79 ? 43 ASN A CA 1 ATOM 297 C C . ASN A 1 43 ? 3.908 39.841 -7.858 1.00 4.43 ? 43 ASN A C 1 ATOM 298 O O . ASN A 1 43 ? 4.343 38.990 -7.036 1.00 5.18 ? 43 ASN A O 1 ATOM 299 C CB . ASN A 1 43 ? 4.777 39.584 -10.204 1.00 5.18 ? 43 ASN A CB 1 ATOM 300 C CG . ASN A 1 43 ? 5.512 40.184 -11.382 1.00 3.33 ? 43 ASN A CG 1 ATOM 301 O OD1 . ASN A 1 43 ? 6.759 40.229 -11.323 1.00 5.38 ? 43 ASN A OD1 1 ATOM 302 N ND2 . ASN A 1 43 ? 4.900 40.633 -12.467 1.00 3.27 ? 43 ASN A ND2 1 ATOM 303 N N . VAL A 1 44 ? 2.670 40.304 -7.912 1.00 2.00 ? 44 VAL A N 1 ATOM 304 C CA . VAL A 1 44 ? 1.702 39.766 -6.945 1.00 2.00 ? 44 VAL A CA 1 ATOM 305 C C . VAL A 1 44 ? 0.762 39.047 -7.942 1.00 2.00 ? 44 VAL A C 1 ATOM 306 O O . VAL A 1 44 ? 0.622 39.529 -9.054 1.00 2.00 ? 44 VAL A O 1 ATOM 307 C CB . VAL A 1 44 ? 1.059 40.690 -5.913 1.00 3.86 ? 44 VAL A CB 1 ATOM 308 C CG1 . VAL A 1 44 ? 1.375 42.170 -5.903 1.00 2.00 ? 44 VAL A CG1 1 ATOM 309 C CG2 . VAL A 1 44 ? -0.467 40.461 -5.873 1.00 2.00 ? 44 VAL A CG2 1 ATOM 310 N N . TRP A 1 45 ? 0.205 37.939 -7.552 1.00 2.48 ? 45 TRP A N 1 ATOM 311 C CA . TRP A 1 45 ? -0.689 37.115 -8.355 1.00 2.68 ? 45 TRP A CA 1 ATOM 312 C C . TRP A 1 45 ? -1.524 36.271 -7.400 1.00 4.56 ? 45 TRP A C 1 ATOM 313 O O . TRP A 1 45 ? -1.197 35.945 -6.240 1.00 4.99 ? 45 TRP A O 1 ATOM 314 C CB . TRP A 1 45 ? 0.076 36.294 -9.376 1.00 5.54 ? 45 TRP A CB 1 ATOM 315 C CG . TRP A 1 45 ? 0.838 35.090 -8.936 1.00 7.22 ? 45 TRP A CG 1 ATOM 316 C CD1 . TRP A 1 45 ? 2.210 34.943 -8.809 1.00 8.12 ? 45 TRP A CD1 1 ATOM 317 C CD2 . TRP A 1 45 ? 0.295 33.830 -8.548 1.00 4.78 ? 45 TRP A CD2 1 ATOM 318 N NE1 . TRP A 1 45 ? 2.526 33.672 -8.372 1.00 3.32 ? 45 TRP A NE1 1 ATOM 319 C CE2 . TRP A 1 45 ? 1.362 32.987 -8.215 1.00 5.42 ? 45 TRP A CE2 1 ATOM 320 C CE3 . TRP A 1 45 ? -0.999 33.347 -8.458 1.00 6.78 ? 45 TRP A CE3 1 ATOM 321 C CZ2 . TRP A 1 45 ? 1.162 31.682 -7.771 1.00 4.79 ? 45 TRP A CZ2 1 ATOM 322 C CZ3 . TRP A 1 45 ? -1.234 32.064 -8.042 1.00 5.38 ? 45 TRP A CZ3 1 ATOM 323 C CH2 . TRP A 1 45 ? -0.145 31.263 -7.709 1.00 6.90 ? 45 TRP A CH2 1 ATOM 324 N N . VAL A 1 46 ? -2.670 35.932 -7.963 1.00 4.51 ? 46 VAL A N 1 ATOM 325 C CA . VAL A 1 46 ? -3.710 35.109 -7.362 1.00 4.98 ? 46 VAL A CA 1 ATOM 326 C C . VAL A 1 46 ? -4.501 34.501 -8.534 1.00 5.63 ? 46 VAL A C 1 ATOM 327 O O . VAL A 1 46 ? -4.525 35.091 -9.647 1.00 6.94 ? 46 VAL A O 1 ATOM 328 C CB . VAL A 1 46 ? -4.637 35.944 -6.440 1.00 6.11 ? 46 VAL A CB 1 ATOM 329 C CG1 . VAL A 1 46 ? -4.058 36.842 -5.383 1.00 2.00 ? 46 VAL A CG1 1 ATOM 330 C CG2 . VAL A 1 46 ? -5.532 36.696 -7.440 1.00 5.93 ? 46 VAL A CG2 1 ATOM 331 N N . PRO A 1 47 ? -5.149 33.392 -8.294 1.00 4.84 ? 47 PRO A N 1 ATOM 332 C CA . PRO A 1 47 ? -5.981 32.677 -9.305 1.00 5.22 ? 47 PRO A CA 1 ATOM 333 C C . PRO A 1 47 ? -7.248 33.449 -9.621 1.00 3.39 ? 47 PRO A C 1 ATOM 334 O O . PRO A 1 47 ? -7.820 34.051 -8.724 1.00 2.69 ? 47 PRO A O 1 ATOM 335 C CB . PRO A 1 47 ? -6.253 31.327 -8.615 1.00 5.02 ? 47 PRO A CB 1 ATOM 336 C CG . PRO A 1 47 ? -5.106 31.243 -7.601 1.00 4.85 ? 47 PRO A CG 1 ATOM 337 C CD . PRO A 1 47 ? -5.179 32.670 -7.021 1.00 5.21 ? 47 PRO A CD 1 ATOM 338 N N . SER A 1 48 ? -7.746 33.519 -10.824 1.00 5.17 ? 48 SER A N 1 ATOM 339 C CA . SER A 1 48 ? -8.973 34.282 -11.106 1.00 5.99 ? 48 SER A CA 1 ATOM 340 C C . SER A 1 48 ? -10.108 33.264 -11.283 1.00 7.47 ? 48 SER A C 1 ATOM 341 O O . SER A 1 48 ? -9.888 32.041 -11.369 1.00 2.51 ? 48 SER A O 1 ATOM 342 C CB . SER A 1 48 ? -8.811 35.268 -12.223 1.00 6.22 ? 48 SER A CB 1 ATOM 343 O OG . SER A 1 48 ? -9.417 34.876 -13.423 1.00 8.76 ? 48 SER A OG 1 ATOM 344 N N . SER A 1 49 ? -11.305 33.904 -11.283 1.00 10.15 ? 49 SER A N 1 ATOM 345 C CA . SER A 1 49 ? -12.511 33.035 -11.451 1.00 12.29 ? 49 SER A CA 1 ATOM 346 C C . SER A 1 49 ? -12.557 32.626 -12.932 1.00 13.88 ? 49 SER A C 1 ATOM 347 O O . SER A 1 49 ? -13.449 31.874 -13.292 1.00 13.45 ? 49 SER A O 1 ATOM 348 C CB . SER A 1 49 ? -13.777 33.699 -11.000 1.00 9.24 ? 49 SER A CB 1 ATOM 349 O OG . SER A 1 49 ? -13.858 34.804 -11.871 1.00 13.32 ? 49 SER A OG 1 ATOM 350 N N . LYS A 1 50 ? -11.607 33.124 -13.721 1.00 17.65 ? 50 LYS A N 1 ATOM 351 C CA . LYS A 1 50 ? -11.549 32.766 -15.152 1.00 22.03 ? 50 LYS A CA 1 ATOM 352 C C . LYS A 1 50 ? -10.727 31.457 -15.274 1.00 23.43 ? 50 LYS A C 1 ATOM 353 O O . LYS A 1 50 ? -10.595 31.002 -16.401 1.00 23.23 ? 50 LYS A O 1 ATOM 354 C CB . LYS A 1 50 ? -11.040 33.765 -16.168 1.00 22.52 ? 50 LYS A CB 1 ATOM 355 C CG . LYS A 1 50 ? -11.460 35.208 -16.047 1.00 22.72 ? 50 LYS A CG 1 ATOM 356 C CD . LYS A 1 50 ? -12.072 35.828 -17.280 1.00 25.12 ? 50 LYS A CD 1 ATOM 357 C CE . LYS A 1 50 ? -12.990 36.990 -16.931 1.00 28.13 ? 50 LYS A CE 1 ATOM 358 N NZ . LYS A 1 50 ? -12.394 37.929 -15.934 1.00 29.75 ? 50 LYS A NZ 1 ATOM 359 N N . CYS A 1 51 ? -10.247 30.894 -14.185 1.00 26.42 ? 51 CYS A N 1 ATOM 360 C CA . CYS A 1 51 ? -9.483 29.658 -14.165 1.00 30.75 ? 51 CYS A CA 1 ATOM 361 C C . CYS A 1 51 ? -10.280 28.368 -14.431 1.00 34.10 ? 51 CYS A C 1 ATOM 362 O O . CYS A 1 51 ? -11.323 28.121 -13.814 1.00 33.72 ? 51 CYS A O 1 ATOM 363 C CB . CYS A 1 51 ? -8.805 29.402 -12.812 1.00 29.87 ? 51 CYS A CB 1 ATOM 364 S SG . CYS A 1 51 ? -7.335 28.355 -13.006 1.00 32.09 ? 51 CYS A SG 1 ATOM 365 N N . SER A 1 52 ? -9.750 27.558 -15.334 1.00 38.56 ? 52 SER A N 1 ATOM 366 C CA . SER A 1 52 ? -10.330 26.287 -15.762 1.00 43.49 ? 52 SER A CA 1 ATOM 367 C C . SER A 1 52 ? -10.887 25.451 -14.607 1.00 46.64 ? 52 SER A C 1 ATOM 368 O O . SER A 1 52 ? -10.550 25.589 -13.428 1.00 48.37 ? 52 SER A O 1 ATOM 369 C CB . SER A 1 52 ? -9.569 25.362 -16.707 1.00 44.82 ? 52 SER A CB 1 ATOM 370 O OG . SER A 1 52 ? -10.548 24.348 -17.030 1.00 45.46 ? 52 SER A OG 1 ATOM 371 N N . THR A 1 56 ? -7.464 21.099 -13.050 1.00 55.75 ? 56 THR A N 1 ATOM 372 C CA . THR A 1 56 ? -6.444 21.759 -12.257 1.00 52.45 ? 56 THR A CA 1 ATOM 373 C C . THR A 1 56 ? -6.812 22.361 -10.912 1.00 50.14 ? 56 THR A C 1 ATOM 374 O O . THR A 1 56 ? -7.955 22.614 -10.531 1.00 50.18 ? 56 THR A O 1 ATOM 375 C CB . THR A 1 56 ? -5.979 23.028 -13.139 1.00 51.99 ? 56 THR A CB 1 ATOM 376 O OG1 . THR A 1 56 ? -7.167 23.438 -13.904 1.00 51.54 ? 56 THR A OG1 1 ATOM 377 C CG2 . THR A 1 56 ? -4.772 22.757 -14.023 1.00 51.90 ? 56 THR A CG2 1 ATOM 378 N N . ALA A 1 57 ? -5.766 22.656 -10.170 1.00 47.11 ? 57 ALA A N 1 ATOM 379 C CA . ALA A 1 57 ? -5.725 23.249 -8.847 1.00 43.30 ? 57 ALA A CA 1 ATOM 380 C C . ALA A 1 57 ? -6.340 24.619 -8.640 1.00 40.50 ? 57 ALA A C 1 ATOM 381 O O . ALA A 1 57 ? -5.883 25.405 -7.788 1.00 41.32 ? 57 ALA A O 1 ATOM 382 C CB . ALA A 1 57 ? -4.239 23.243 -8.440 1.00 43.50 ? 57 ALA A CB 1 ATOM 383 N N . CYS A 1 58 ? -7.372 24.964 -9.358 1.00 37.71 ? 58 CYS A N 1 ATOM 384 C CA . CYS A 1 58 ? -8.107 26.259 -9.243 1.00 33.61 ? 58 CYS A CA 1 ATOM 385 C C . CYS A 1 58 ? -9.256 25.844 -8.300 1.00 33.06 ? 58 CYS A C 1 ATOM 386 O O . CYS A 1 58 ? -9.797 26.560 -7.431 1.00 30.81 ? 58 CYS A O 1 ATOM 387 C CB . CYS A 1 58 ? -8.326 26.827 -10.607 1.00 31.57 ? 58 CYS A CB 1 ATOM 388 S SG . CYS A 1 58 ? -6.812 27.636 -11.220 1.00 28.25 ? 58 CYS A SG 1 ATOM 389 N N . VAL A 1 59 ? -9.594 24.563 -8.486 1.00 31.30 ? 59 VAL A N 1 ATOM 390 C CA . VAL A 1 59 ? -10.593 23.794 -7.773 1.00 29.96 ? 59 VAL A CA 1 ATOM 391 C C . VAL A 1 59 ? -10.421 23.947 -6.252 1.00 27.68 ? 59 VAL A C 1 ATOM 392 O O . VAL A 1 59 ? -11.362 24.116 -5.463 1.00 27.90 ? 59 VAL A O 1 ATOM 393 C CB . VAL A 1 59 ? -10.387 22.267 -8.016 1.00 31.33 ? 59 VAL A CB 1 ATOM 394 C CG1 . VAL A 1 59 ? -11.305 21.423 -7.109 1.00 29.73 ? 59 VAL A CG1 1 ATOM 395 C CG2 . VAL A 1 59 ? -10.475 21.742 -9.441 1.00 32.56 ? 59 VAL A CG2 1 ATOM 396 N N . TYR A 1 60 ? -9.157 23.841 -5.909 1.00 25.68 ? 60 TYR A N 1 ATOM 397 C CA . TYR A 1 60 ? -8.662 23.906 -4.524 1.00 25.73 ? 60 TYR A CA 1 ATOM 398 C C . TYR A 1 60 ? -8.353 25.203 -3.820 1.00 23.62 ? 60 TYR A C 1 ATOM 399 O O . TYR A 1 60 ? -8.066 25.197 -2.606 1.00 24.05 ? 60 TYR A O 1 ATOM 400 C CB . TYR A 1 60 ? -7.369 23.010 -4.607 1.00 30.76 ? 60 TYR A CB 1 ATOM 401 C CG . TYR A 1 60 ? -7.772 21.596 -4.987 1.00 33.20 ? 60 TYR A CG 1 ATOM 402 C CD1 . TYR A 1 60 ? -8.250 21.279 -6.252 1.00 33.40 ? 60 TYR A CD1 1 ATOM 403 C CD2 . TYR A 1 60 ? -7.662 20.565 -4.048 1.00 35.05 ? 60 TYR A CD2 1 ATOM 404 C CE1 . TYR A 1 60 ? -8.623 19.987 -6.577 1.00 35.33 ? 60 TYR A CE1 1 ATOM 405 C CE2 . TYR A 1 60 ? -8.023 19.252 -4.350 1.00 36.26 ? 60 TYR A CE2 1 ATOM 406 C CZ . TYR A 1 60 ? -8.509 18.973 -5.627 1.00 38.14 ? 60 TYR A CZ 1 ATOM 407 O OH . TYR A 1 60 ? -8.884 17.691 -5.971 1.00 39.93 ? 60 TYR A OH 1 ATOM 408 N N . HIS A 1 61 ? -8.390 26.332 -4.497 1.00 21.52 ? 61 HIS A N 1 ATOM 409 C CA . HIS A 1 61 ? -8.101 27.651 -3.971 1.00 18.69 ? 61 HIS A CA 1 ATOM 410 C C . HIS A 1 61 ? -9.137 28.719 -4.309 1.00 16.55 ? 61 HIS A C 1 ATOM 411 O O . HIS A 1 61 ? -9.847 28.565 -5.291 1.00 17.74 ? 61 HIS A O 1 ATOM 412 C CB . HIS A 1 61 ? -6.808 28.314 -4.561 1.00 14.00 ? 61 HIS A CB 1 ATOM 413 C CG . HIS A 1 61 ? -5.579 27.514 -4.277 1.00 10.99 ? 61 HIS A CG 1 ATOM 414 N ND1 . HIS A 1 61 ? -4.831 26.894 -5.232 1.00 10.46 ? 61 HIS A ND1 1 ATOM 415 C CD2 . HIS A 1 61 ? -4.969 27.251 -3.112 1.00 11.06 ? 61 HIS A CD2 1 ATOM 416 C CE1 . HIS A 1 61 ? -3.833 26.269 -4.687 1.00 11.06 ? 61 HIS A CE1 1 ATOM 417 N NE2 . HIS A 1 61 ? -3.890 26.474 -3.389 1.00 12.17 ? 61 HIS A NE2 1 ATOM 418 N N . LYS A 1 62 ? -9.113 29.743 -3.499 1.00 14.70 ? 62 LYS A N 1 ATOM 419 C CA . LYS A 1 62 ? -9.980 30.899 -3.638 1.00 13.80 ? 62 LYS A CA 1 ATOM 420 C C . LYS A 1 62 ? -9.690 31.540 -4.974 1.00 12.87 ? 62 LYS A C 1 ATOM 421 O O . LYS A 1 62 ? -8.533 31.727 -5.318 1.00 15.62 ? 62 LYS A O 1 ATOM 422 C CB . LYS A 1 62 ? -9.750 31.855 -2.468 1.00 16.34 ? 62 LYS A CB 1 ATOM 423 C CG . LYS A 1 62 ? -10.518 33.184 -2.741 1.00 14.11 ? 62 LYS A CG 1 ATOM 424 C CD . LYS A 1 62 ? -11.745 33.085 -1.847 1.00 12.84 ? 62 LYS A CD 1 ATOM 425 C CE . LYS A 1 62 ? -11.851 34.294 -0.934 1.00 12.40 ? 62 LYS A CE 1 ATOM 426 N NZ . LYS A 1 62 ? -11.560 33.874 0.468 1.00 11.31 ? 62 LYS A NZ 1 ATOM 427 N N . LEU A 1 63 ? -10.691 31.859 -5.736 1.00 12.62 ? 63 LEU A N 1 ATOM 428 C CA . LEU A 1 63 ? -10.612 32.483 -7.052 1.00 11.75 ? 63 LEU A CA 1 ATOM 429 C C . LEU A 1 63 ? -11.030 33.955 -6.950 1.00 11.14 ? 63 LEU A C 1 ATOM 430 O O . LEU A 1 63 ? -12.125 34.207 -6.394 1.00 10.26 ? 63 LEU A O 1 ATOM 431 C CB . LEU A 1 63 ? -11.570 31.608 -7.882 1.00 11.17 ? 63 LEU A CB 1 ATOM 432 C CG . LEU A 1 63 ? -11.422 30.134 -8.176 1.00 7.78 ? 63 LEU A CG 1 ATOM 433 C CD1 . LEU A 1 63 ? -12.334 29.725 -9.338 1.00 4.40 ? 63 LEU A CD1 1 ATOM 434 C CD2 . LEU A 1 63 ? -9.998 29.773 -8.647 1.00 9.13 ? 63 LEU A CD2 1 ATOM 435 N N . PHE A 1 64 ? -10.268 34.904 -7.427 1.00 9.60 ? 64 PHE A N 1 ATOM 436 C CA . PHE A 1 64 ? -10.543 36.353 -7.422 1.00 9.34 ? 64 PHE A CA 1 ATOM 437 C C . PHE A 1 64 ? -11.655 36.655 -8.457 1.00 10.98 ? 64 PHE A C 1 ATOM 438 O O . PHE A 1 64 ? -11.563 36.283 -9.658 1.00 11.72 ? 64 PHE A O 1 ATOM 439 C CB . PHE A 1 64 ? -9.246 37.182 -7.568 1.00 5.90 ? 64 PHE A CB 1 ATOM 440 C CG . PHE A 1 64 ? -9.699 38.591 -7.928 1.00 4.47 ? 64 PHE A CG 1 ATOM 441 C CD1 . PHE A 1 64 ? -10.115 39.478 -6.946 1.00 2.00 ? 64 PHE A CD1 1 ATOM 442 C CD2 . PHE A 1 64 ? -9.712 38.950 -9.260 1.00 2.78 ? 64 PHE A CD2 1 ATOM 443 C CE1 . PHE A 1 64 ? -10.559 40.726 -7.292 1.00 2.00 ? 64 PHE A CE1 1 ATOM 444 C CE2 . PHE A 1 64 ? -10.146 40.195 -9.627 1.00 2.74 ? 64 PHE A CE2 1 ATOM 445 C CZ . PHE A 1 64 ? -10.561 41.072 -8.641 1.00 2.00 ? 64 PHE A CZ 1 ATOM 446 N N . ASP A 1 65 ? -12.738 37.305 -8.025 1.00 10.96 ? 65 ASP A N 1 ATOM 447 C CA . ASP A 1 65 ? -13.860 37.583 -8.968 1.00 12.27 ? 65 ASP A CA 1 ATOM 448 C C . ASP A 1 65 ? -14.246 39.072 -9.061 1.00 11.83 ? 65 ASP A C 1 ATOM 449 O O . ASP A 1 65 ? -14.987 39.625 -8.243 1.00 10.39 ? 65 ASP A O 1 ATOM 450 C CB . ASP A 1 65 ? -15.079 36.730 -8.654 1.00 12.81 ? 65 ASP A CB 1 ATOM 451 C CG . ASP A 1 65 ? -16.248 36.930 -9.590 1.00 15.48 ? 65 ASP A CG 1 ATOM 452 O OD1 . ASP A 1 65 ? -16.362 37.742 -10.521 1.00 18.71 ? 65 ASP A OD1 1 ATOM 453 O OD2 . ASP A 1 65 ? -17.238 36.189 -9.428 1.00 15.72 ? 65 ASP A OD2 1 ATOM 454 N N . ALA A 1 66 ? -13.668 39.613 -10.122 1.00 10.71 ? 66 ALA A N 1 ATOM 455 C CA . ALA A 1 66 ? -13.802 41.006 -10.510 1.00 10.09 ? 66 ALA A CA 1 ATOM 456 C C . ALA A 1 66 ? -15.240 41.487 -10.594 1.00 10.06 ? 66 ALA A C 1 ATOM 457 O O . ALA A 1 66 ? -15.379 42.710 -10.396 1.00 10.46 ? 66 ALA A O 1 ATOM 458 C CB . ALA A 1 66 ? -13.014 41.183 -11.829 1.00 6.17 ? 66 ALA A CB 1 ATOM 459 N N . SER A 1 67 ? -16.244 40.679 -10.869 1.00 10.60 ? 67 SER A N 1 ATOM 460 C CA . SER A 1 67 ? -17.595 41.319 -10.924 1.00 11.73 ? 67 SER A CA 1 ATOM 461 C C . SER A 1 67 ? -18.159 41.576 -9.538 1.00 10.85 ? 67 SER A C 1 ATOM 462 O O . SER A 1 67 ? -19.365 41.783 -9.439 1.00 9.68 ? 67 SER A O 1 ATOM 463 C CB . SER A 1 67 ? -18.644 40.587 -11.755 1.00 12.45 ? 67 SER A CB 1 ATOM 464 O OG . SER A 1 67 ? -18.700 39.291 -11.157 1.00 16.16 ? 67 SER A OG 1 ATOM 465 N N . ASP A 1 68 ? -17.296 41.574 -8.525 1.00 11.76 ? 68 ASP A N 1 ATOM 466 C CA . ASP A 1 68 ? -17.743 41.837 -7.133 1.00 10.95 ? 68 ASP A CA 1 ATOM 467 C C . ASP A 1 68 ? -16.818 42.912 -6.564 1.00 11.43 ? 68 ASP A C 1 ATOM 468 O O . ASP A 1 68 ? -16.540 42.964 -5.334 1.00 13.99 ? 68 ASP A O 1 ATOM 469 C CB . ASP A 1 68 ? -17.675 40.550 -6.353 1.00 12.41 ? 68 ASP A CB 1 ATOM 470 C CG . ASP A 1 68 ? -18.900 39.708 -6.658 1.00 15.76 ? 68 ASP A CG 1 ATOM 471 O OD1 . ASP A 1 68 ? -19.986 39.908 -6.119 1.00 16.40 ? 68 ASP A OD1 1 ATOM 472 O OD2 . ASP A 1 68 ? -18.758 38.779 -7.496 1.00 20.57 ? 68 ASP A OD2 1 ATOM 473 N N . SER A 1 69 ? -16.335 43.710 -7.513 1.00 8.29 ? 69 SER A N 1 ATOM 474 C CA . SER A 1 69 ? -15.395 44.753 -7.124 1.00 6.82 ? 69 SER A CA 1 ATOM 475 C C . SER A 1 69 ? -15.599 45.979 -7.979 1.00 6.95 ? 69 SER A C 1 ATOM 476 O O . SER A 1 69 ? -15.420 45.949 -9.183 1.00 9.08 ? 69 SER A O 1 ATOM 477 C CB . SER A 1 69 ? -13.944 44.322 -7.201 1.00 5.63 ? 69 SER A CB 1 ATOM 478 O OG . SER A 1 69 ? -13.127 45.320 -6.592 1.00 3.55 ? 69 SER A OG 1 ATOM 479 N N . SER A 1 70 ? -15.963 46.973 -7.242 1.00 5.55 ? 70 SER A N 1 ATOM 480 C CA . SER A 1 70 ? -16.247 48.313 -7.629 1.00 9.47 ? 70 SER A CA 1 ATOM 481 C C . SER A 1 70 ? -15.042 49.180 -8.000 1.00 9.68 ? 70 SER A C 1 ATOM 482 O O . SER A 1 70 ? -15.230 50.343 -8.423 1.00 9.16 ? 70 SER A O 1 ATOM 483 C CB . SER A 1 70 ? -16.638 48.991 -6.255 1.00 9.58 ? 70 SER A CB 1 ATOM 484 O OG . SER A 1 70 ? -17.865 49.569 -6.561 1.00 11.48 ? 70 SER A OG 1 ATOM 485 N N . SER A 1 71 ? -13.894 48.592 -7.751 1.00 10.03 ? 71 SER A N 1 ATOM 486 C CA . SER A 1 71 ? -12.616 49.306 -7.998 1.00 11.16 ? 71 SER A CA 1 ATOM 487 C C . SER A 1 71 ? -11.675 48.602 -8.941 1.00 11.08 ? 71 SER A C 1 ATOM 488 O O . SER A 1 71 ? -10.483 48.883 -9.032 1.00 11.36 ? 71 SER A O 1 ATOM 489 C CB . SER A 1 71 ? -12.033 49.432 -6.588 1.00 8.76 ? 71 SER A CB 1 ATOM 490 O OG . SER A 1 71 ? -11.494 48.145 -6.271 1.00 10.73 ? 71 SER A OG 1 ATOM 491 N N . TYR A 1 72 ? -12.229 47.655 -9.667 1.00 12.11 ? 72 TYR A N 1 ATOM 492 C CA . TYR A 1 72 ? -11.486 46.849 -10.668 1.00 10.62 ? 72 TYR A CA 1 ATOM 493 C C . TYR A 1 72 ? -11.338 47.699 -11.902 1.00 12.26 ? 72 TYR A C 1 ATOM 494 O O . TYR A 1 72 ? -12.299 48.397 -12.270 1.00 14.60 ? 72 TYR A O 1 ATOM 495 C CB . TYR A 1 72 ? -12.335 45.622 -10.867 1.00 6.08 ? 72 TYR A CB 1 ATOM 496 C CG . TYR A 1 72 ? -11.798 44.714 -11.921 1.00 2.00 ? 72 TYR A CG 1 ATOM 497 C CD1 . TYR A 1 72 ? -10.819 43.769 -11.620 1.00 3.03 ? 72 TYR A CD1 1 ATOM 498 C CD2 . TYR A 1 72 ? -12.287 44.802 -13.182 1.00 2.00 ? 72 TYR A CD2 1 ATOM 499 C CE1 . TYR A 1 72 ? -10.324 42.925 -12.606 1.00 3.35 ? 72 TYR A CE1 1 ATOM 500 C CE2 . TYR A 1 72 ? -11.840 43.988 -14.192 1.00 2.00 ? 72 TYR A CE2 1 ATOM 501 C CZ . TYR A 1 72 ? -10.860 43.058 -13.892 1.00 3.15 ? 72 TYR A CZ 1 ATOM 502 O OH . TYR A 1 72 ? -10.451 42.258 -14.922 1.00 3.99 ? 72 TYR A OH 1 ATOM 503 N N . LYS A 1 73 ? -10.216 47.702 -12.549 1.00 13.75 ? 73 LYS A N 1 ATOM 504 C CA . LYS A 1 73 ? -10.002 48.498 -13.771 1.00 14.85 ? 73 LYS A CA 1 ATOM 505 C C . LYS A 1 73 ? -9.155 47.438 -14.486 1.00 16.00 ? 73 LYS A C 1 ATOM 506 O O . LYS A 1 73 ? -7.992 47.313 -14.101 1.00 16.35 ? 73 LYS A O 1 ATOM 507 C CB . LYS A 1 73 ? -9.332 49.846 -13.727 1.00 15.36 ? 73 LYS A CB 1 ATOM 508 C CG . LYS A 1 73 ? -9.390 50.678 -12.476 1.00 20.05 ? 73 LYS A CG 1 ATOM 509 C CD . LYS A 1 73 ? -10.173 51.955 -12.384 1.00 20.73 ? 73 LYS A CD 1 ATOM 510 C CE . LYS A 1 73 ? -11.198 52.079 -11.265 1.00 22.04 ? 73 LYS A CE 1 ATOM 511 N NZ . LYS A 1 73 ? -12.314 51.079 -11.372 1.00 22.42 ? 73 LYS A NZ 1 ATOM 512 N N . HIS A 1 74 ? -9.797 46.768 -15.405 1.00 17.37 ? 74 HIS A N 1 ATOM 513 C CA . HIS A 1 74 ? -9.098 45.736 -16.157 1.00 19.82 ? 74 HIS A CA 1 ATOM 514 C C . HIS A 1 74 ? -7.929 46.286 -16.979 1.00 20.82 ? 74 HIS A C 1 ATOM 515 O O . HIS A 1 74 ? -7.888 47.453 -17.353 1.00 20.09 ? 74 HIS A O 1 ATOM 516 C CB . HIS A 1 74 ? -10.058 45.074 -17.157 1.00 23.27 ? 74 HIS A CB 1 ATOM 517 C CG . HIS A 1 74 ? -10.248 45.952 -18.365 1.00 25.91 ? 74 HIS A CG 1 ATOM 518 N ND1 . HIS A 1 74 ? -10.186 45.472 -19.644 1.00 26.67 ? 74 HIS A ND1 1 ATOM 519 C CD2 . HIS A 1 74 ? -10.493 47.288 -18.445 1.00 26.87 ? 74 HIS A CD2 1 ATOM 520 C CE1 . HIS A 1 74 ? -10.397 46.513 -20.455 1.00 28.51 ? 74 HIS A CE1 1 ATOM 521 N NE2 . HIS A 1 74 ? -10.580 47.625 -19.769 1.00 26.58 ? 74 HIS A NE2 1 ATOM 522 N N . ASN A 1 75 ? -6.995 45.405 -17.266 1.00 23.62 ? 75 ASN A N 1 ATOM 523 C CA . ASN A 1 75 ? -5.761 45.539 -18.029 1.00 26.25 ? 75 ASN A CA 1 ATOM 524 C C . ASN A 1 75 ? -5.723 44.510 -19.183 1.00 25.38 ? 75 ASN A C 1 ATOM 525 O O . ASN A 1 75 ? -5.725 44.894 -20.354 1.00 25.67 ? 75 ASN A O 1 ATOM 526 C CB . ASN A 1 75 ? -4.464 45.452 -17.198 1.00 31.17 ? 75 ASN A CB 1 ATOM 527 C CG . ASN A 1 75 ? -3.319 45.930 -18.091 1.00 33.99 ? 75 ASN A CG 1 ATOM 528 O OD1 . ASN A 1 75 ? -2.709 45.164 -18.826 1.00 34.35 ? 75 ASN A OD1 1 ATOM 529 N ND2 . ASN A 1 75 ? -3.082 47.236 -18.006 1.00 37.44 ? 75 ASN A ND2 1 ATOM 530 N N . GLY A 1 76 ? -5.696 43.233 -18.905 1.00 25.28 ? 76 GLY A N 1 ATOM 531 C CA . GLY A 1 76 ? -5.677 42.141 -19.855 1.00 25.91 ? 76 GLY A CA 1 ATOM 532 C C . GLY A 1 76 ? -4.439 41.630 -20.550 1.00 26.18 ? 76 GLY A C 1 ATOM 533 O O . GLY A 1 76 ? -4.497 40.603 -21.249 1.00 26.56 ? 76 GLY A O 1 ATOM 534 N N . THR A 1 77 ? -3.317 42.286 -20.426 1.00 26.13 ? 77 THR A N 1 ATOM 535 C CA . THR A 1 77 ? -2.008 42.027 -20.967 1.00 26.84 ? 77 THR A CA 1 ATOM 536 C C . THR A 1 77 ? -1.493 40.679 -20.472 1.00 28.13 ? 77 THR A C 1 ATOM 537 O O . THR A 1 77 ? -1.660 40.530 -19.234 1.00 28.76 ? 77 THR A O 1 ATOM 538 C CB . THR A 1 77 ? -1.015 43.109 -20.373 1.00 27.60 ? 77 THR A CB 1 ATOM 539 O OG1 . THR A 1 77 ? -1.547 44.454 -20.629 1.00 27.73 ? 77 THR A OG1 1 ATOM 540 C CG2 . THR A 1 77 ? 0.420 42.862 -20.866 1.00 29.04 ? 77 THR A CG2 1 ATOM 541 N N . GLU A 1 78 ? -0.925 39.817 -21.290 1.00 28.62 ? 78 GLU A N 1 ATOM 542 C CA . GLU A 1 78 ? -0.463 38.544 -20.708 1.00 30.40 ? 78 GLU A CA 1 ATOM 543 C C . GLU A 1 78 ? 0.839 38.705 -19.904 1.00 29.43 ? 78 GLU A C 1 ATOM 544 O O . GLU A 1 78 ? 1.628 39.654 -19.972 1.00 29.57 ? 78 GLU A O 1 ATOM 545 C CB . GLU A 1 78 ? -0.210 37.344 -21.633 1.00 31.76 ? 78 GLU A CB 1 ATOM 546 C CG . GLU A 1 78 ? -1.373 36.924 -22.516 1.00 37.15 ? 78 GLU A CG 1 ATOM 547 C CD . GLU A 1 78 ? -1.444 37.869 -23.704 1.00 41.10 ? 78 GLU A CD 1 ATOM 548 O OE1 . GLU A 1 78 ? -0.474 37.967 -24.444 1.00 42.00 ? 78 GLU A OE1 1 ATOM 549 O OE2 . GLU A 1 78 ? -2.518 38.513 -23.840 1.00 43.04 ? 78 GLU A OE2 1 ATOM 550 N N . LEU A 1 79 ? 0.982 37.645 -19.122 1.00 27.75 ? 79 LEU A N 1 ATOM 551 C CA . LEU A 1 79 ? 2.099 37.386 -18.221 1.00 26.79 ? 79 LEU A CA 1 ATOM 552 C C . LEU A 1 79 ? 2.035 35.903 -17.756 1.00 26.31 ? 79 LEU A C 1 ATOM 553 O O . LEU A 1 79 ? 1.028 35.267 -17.409 1.00 21.89 ? 79 LEU A O 1 ATOM 554 C CB . LEU A 1 79 ? 2.256 38.505 -17.216 1.00 24.05 ? 79 LEU A CB 1 ATOM 555 C CG . LEU A 1 79 ? 1.243 39.099 -16.306 1.00 24.64 ? 79 LEU A CG 1 ATOM 556 C CD1 . LEU A 1 79 ? 0.368 38.016 -15.670 1.00 23.76 ? 79 LEU A CD1 1 ATOM 557 C CD2 . LEU A 1 79 ? 2.026 39.839 -15.210 1.00 22.38 ? 79 LEU A CD2 1 ATOM 558 N N . THR A 1 80 ? 3.248 35.361 -17.806 1.00 26.63 ? 80 THR A N 1 ATOM 559 C CA . THR A 1 80 ? 3.673 34.014 -17.450 1.00 28.92 ? 80 THR A CA 1 ATOM 560 C C . THR A 1 80 ? 4.767 34.237 -16.389 1.00 29.99 ? 80 THR A C 1 ATOM 561 O O . THR A 1 80 ? 5.831 34.798 -16.705 1.00 29.04 ? 80 THR A O 1 ATOM 562 C CB . THR A 1 80 ? 4.160 33.111 -18.647 1.00 28.92 ? 80 THR A CB 1 ATOM 563 O OG1 . THR A 1 80 ? 3.618 33.621 -19.913 1.00 29.54 ? 80 THR A OG1 1 ATOM 564 C CG2 . THR A 1 80 ? 3.779 31.627 -18.597 1.00 29.62 ? 80 THR A CG2 1 ATOM 565 N N . LEU A 1 81 ? 4.528 33.841 -15.155 1.00 32.73 ? 81 LEU A N 1 ATOM 566 C CA . LEU A 1 81 ? 5.516 34.013 -14.071 1.00 36.07 ? 81 LEU A CA 1 ATOM 567 C C . LEU A 1 81 ? 6.125 32.640 -13.800 1.00 39.87 ? 81 LEU A C 1 ATOM 568 O O . LEU A 1 81 ? 5.332 31.779 -13.390 1.00 39.59 ? 81 LEU A O 1 ATOM 569 C CB . LEU A 1 81 ? 4.909 34.681 -12.850 1.00 34.87 ? 81 LEU A CB 1 ATOM 570 C CG . LEU A 1 81 ? 4.027 35.895 -13.084 1.00 34.15 ? 81 LEU A CG 1 ATOM 571 C CD1 . LEU A 1 81 ? 2.704 35.801 -12.347 1.00 33.60 ? 81 LEU A CD1 1 ATOM 572 C CD2 . LEU A 1 81 ? 4.774 37.112 -12.570 1.00 34.60 ? 81 LEU A CD2 1 ATOM 573 N N . ARG A 1 82 ? 7.434 32.523 -14.031 1.00 99.99 ? 82 ARG A N 1 ATOM 574 C CA . ARG A 1 82 ? 8.104 31.229 -13.843 1.00 99.99 ? 82 ARG A CA 1 ATOM 575 C C . ARG A 1 82 ? 9.008 30.938 -12.682 1.00 99.99 ? 82 ARG A C 1 ATOM 576 O O . ARG A 1 82 ? 9.961 31.670 -12.413 1.00 99.99 ? 82 ARG A O 1 ATOM 577 C CB . ARG A 1 82 ? 8.921 30.995 -15.137 1.00 99.99 ? 82 ARG A CB 1 ATOM 578 C CG . ARG A 1 82 ? 10.414 30.776 -15.046 1.00 99.99 ? 82 ARG A CG 1 ATOM 579 C CD . ARG A 1 82 ? 10.870 29.860 -16.138 1.00 99.99 ? 82 ARG A CD 1 ATOM 580 N NE . ARG A 1 82 ? 11.691 28.785 -15.578 1.00 99.99 ? 82 ARG A NE 1 ATOM 581 C CZ . ARG A 1 82 ? 11.177 27.714 -14.957 1.00 99.99 ? 82 ARG A CZ 1 ATOM 582 N NH1 . ARG A 1 82 ? 9.864 27.454 -14.956 1.00 99.99 ? 82 ARG A NH1 1 ATOM 583 N NH2 . ARG A 1 82 ? 12.005 26.885 -14.306 1.00 99.99 ? 82 ARG A NH2 1 ATOM 584 N N . TYR A 1 83 ? 8.703 29.827 -12.039 1.00 99.99 ? 83 TYR A N 1 ATOM 585 C CA . TYR A 1 83 ? 9.481 29.389 -10.859 1.00 99.99 ? 83 TYR A CA 1 ATOM 586 C C . TYR A 1 83 ? 10.273 28.086 -10.870 1.00 99.99 ? 83 TYR A C 1 ATOM 587 O O . TYR A 1 83 ? 10.112 27.146 -11.689 1.00 99.99 ? 83 TYR A O 1 ATOM 588 C CB . TYR A 1 83 ? 8.391 29.352 -9.744 1.00 99.99 ? 83 TYR A CB 1 ATOM 589 C CG . TYR A 1 83 ? 7.704 30.678 -9.512 1.00 99.99 ? 83 TYR A CG 1 ATOM 590 C CD1 . TYR A 1 83 ? 8.364 31.670 -8.777 1.00 99.99 ? 83 TYR A CD1 1 ATOM 591 C CD2 . TYR A 1 83 ? 6.441 30.983 -9.981 1.00 99.99 ? 83 TYR A CD2 1 ATOM 592 C CE1 . TYR A 1 83 ? 7.797 32.917 -8.514 1.00 99.99 ? 83 TYR A CE1 1 ATOM 593 C CE2 . TYR A 1 83 ? 5.845 32.217 -9.735 1.00 99.99 ? 83 TYR A CE2 1 ATOM 594 C CZ . TYR A 1 83 ? 6.518 33.191 -9.001 1.00 99.99 ? 83 TYR A CZ 1 ATOM 595 O OH . TYR A 1 83 ? 5.939 34.415 -8.752 1.00 99.99 ? 83 TYR A OH 1 ATOM 596 N N . SER A 1 84 ? 11.179 28.063 -9.866 1.00 99.99 ? 84 SER A N 1 ATOM 597 C CA . SER A 1 84 ? 12.074 26.888 -9.669 1.00 99.99 ? 84 SER A CA 1 ATOM 598 C C . SER A 1 84 ? 11.175 25.698 -9.321 1.00 99.99 ? 84 SER A C 1 ATOM 599 O O . SER A 1 84 ? 11.598 24.533 -9.438 1.00 99.99 ? 84 SER A O 1 ATOM 600 C CB . SER A 1 84 ? 13.240 27.172 -8.751 1.00 99.99 ? 84 SER A CB 1 ATOM 601 O OG . SER A 1 84 ? 13.144 26.875 -7.373 1.00 99.99 ? 84 SER A OG 1 ATOM 602 N N . THR A 1 85 ? 9.955 26.031 -8.925 1.00 99.99 ? 85 THR A N 1 ATOM 603 C CA . THR A 1 85 ? 8.983 24.995 -8.567 1.00 99.99 ? 85 THR A CA 1 ATOM 604 C C . THR A 1 85 ? 7.796 25.046 -9.512 1.00 99.99 ? 85 THR A C 1 ATOM 605 O O . THR A 1 85 ? 7.383 23.980 -10.010 1.00 99.99 ? 85 THR A O 1 ATOM 606 C CB . THR A 1 85 ? 8.554 25.144 -7.061 1.00 99.99 ? 85 THR A CB 1 ATOM 607 O OG1 . THR A 1 85 ? 9.792 25.490 -6.347 1.00 99.99 ? 85 THR A OG1 1 ATOM 608 C CG2 . THR A 1 85 ? 7.871 23.914 -6.467 1.00 99.99 ? 85 THR A CG2 1 ATOM 609 N N . GLY A 1 86 ? 7.318 26.282 -9.689 1.00 99.99 ? 86 GLY A N 1 ATOM 610 C CA . GLY A 1 86 ? 6.161 26.448 -10.587 1.00 99.99 ? 86 GLY A CA 1 ATOM 611 C C . GLY A 1 86 ? 6.438 27.228 -11.871 1.00 99.99 ? 86 GLY A C 1 ATOM 612 O O . GLY A 1 86 ? 7.484 27.575 -12.424 1.00 99.99 ? 86 GLY A O 1 ATOM 613 N N . THR A 1 87 ? 5.320 27.557 -12.459 1.00 42.34 ? 87 THR A N 1 ATOM 614 C CA . THR A 1 87 ? 4.958 28.320 -13.634 1.00 39.63 ? 87 THR A CA 1 ATOM 615 C C . THR A 1 87 ? 3.438 28.591 -13.467 1.00 37.90 ? 87 THR A C 1 ATOM 616 O O . THR A 1 87 ? 2.617 27.778 -13.006 1.00 39.51 ? 87 THR A O 1 ATOM 617 C CB . THR A 1 87 ? 5.423 27.876 -15.048 1.00 40.04 ? 87 THR A CB 1 ATOM 618 O OG1 . THR A 1 87 ? 6.563 28.789 -15.248 1.00 38.06 ? 87 THR A OG1 1 ATOM 619 C CG2 . THR A 1 87 ? 4.346 27.963 -16.150 1.00 39.99 ? 87 THR A CG2 1 ATOM 620 N N . VAL A 1 88 ? 3.100 29.811 -13.837 1.00 33.28 ? 88 VAL A N 1 ATOM 621 C CA . VAL A 1 88 ? 1.752 30.344 -13.773 1.00 29.49 ? 88 VAL A CA 1 ATOM 622 C C . VAL A 1 88 ? 1.679 31.441 -14.817 1.00 26.23 ? 88 VAL A C 1 ATOM 623 O O . VAL A 1 88 ? 2.664 32.089 -15.174 1.00 27.85 ? 88 VAL A O 1 ATOM 624 C CB . VAL A 1 88 ? 1.426 30.718 -12.324 1.00 31.24 ? 88 VAL A CB 1 ATOM 625 C CG1 . VAL A 1 88 ? 0.200 31.602 -12.243 1.00 31.15 ? 88 VAL A CG1 1 ATOM 626 C CG2 . VAL A 1 88 ? 1.200 29.479 -11.446 1.00 30.74 ? 88 VAL A CG2 1 ATOM 627 N N . SER A 1 89 ? 0.490 31.635 -15.305 1.00 22.07 ? 89 SER A N 1 ATOM 628 C CA . SER A 1 89 ? 0.204 32.627 -16.339 1.00 18.28 ? 89 SER A CA 1 ATOM 629 C C . SER A 1 89 ? -1.243 33.055 -16.286 1.00 15.07 ? 89 SER A C 1 ATOM 630 O O . SER A 1 89 ? -2.137 32.393 -15.786 1.00 13.73 ? 89 SER A O 1 ATOM 631 C CB . SER A 1 89 ? 0.576 31.968 -17.661 1.00 18.31 ? 89 SER A CB 1 ATOM 632 O OG . SER A 1 89 ? 0.436 30.587 -17.357 1.00 21.40 ? 89 SER A OG 1 ATOM 633 N N . GLY A 1 90 ? -1.421 34.234 -16.836 1.00 15.83 ? 90 GLY A N 1 ATOM 634 C CA . GLY A 1 90 ? -2.722 34.894 -16.919 1.00 14.04 ? 90 GLY A CA 1 ATOM 635 C C . GLY A 1 90 ? -2.554 36.229 -17.628 1.00 12.80 ? 90 GLY A C 1 ATOM 636 O O . GLY A 1 90 ? -1.899 36.415 -18.673 1.00 11.81 ? 90 GLY A O 1 ATOM 637 N N . PHE A 1 91 ? -3.245 37.113 -16.926 1.00 12.20 ? 91 PHE A N 1 ATOM 638 C CA . PHE A 1 91 ? -3.285 38.515 -17.405 1.00 12.19 ? 91 PHE A CA 1 ATOM 639 C C . PHE A 1 91 ? -3.344 39.447 -16.203 1.00 10.87 ? 91 PHE A C 1 ATOM 640 O O . PHE A 1 91 ? -3.767 39.117 -15.100 1.00 11.43 ? 91 PHE A O 1 ATOM 641 C CB . PHE A 1 91 ? -4.478 38.634 -18.358 1.00 11.66 ? 91 PHE A CB 1 ATOM 642 C CG . PHE A 1 91 ? -5.754 38.374 -17.605 1.00 13.23 ? 91 PHE A CG 1 ATOM 643 C CD1 . PHE A 1 91 ? -6.232 37.081 -17.437 1.00 13.81 ? 91 PHE A CD1 1 ATOM 644 C CD2 . PHE A 1 91 ? -6.468 39.436 -17.060 1.00 13.77 ? 91 PHE A CD2 1 ATOM 645 C CE1 . PHE A 1 91 ? -7.424 36.828 -16.748 1.00 14.06 ? 91 PHE A CE1 1 ATOM 646 C CE2 . PHE A 1 91 ? -7.653 39.210 -16.369 1.00 15.73 ? 91 PHE A CE2 1 ATOM 647 C CZ . PHE A 1 91 ? -8.139 37.893 -16.209 1.00 13.89 ? 91 PHE A CZ 1 ATOM 648 N N . LEU A 1 92 ? -2.890 40.622 -16.501 1.00 9.56 ? 92 LEU A N 1 ATOM 649 C CA . LEU A 1 92 ? -2.805 41.757 -15.629 1.00 9.01 ? 92 LEU A CA 1 ATOM 650 C C . LEU A 1 92 ? -4.190 42.344 -15.354 1.00 10.17 ? 92 LEU A C 1 ATOM 651 O O . LEU A 1 92 ? -5.002 42.533 -16.268 1.00 10.01 ? 92 LEU A O 1 ATOM 652 C CB . LEU A 1 92 ? -1.923 42.751 -16.380 1.00 6.98 ? 92 LEU A CB 1 ATOM 653 C CG . LEU A 1 92 ? -0.961 43.504 -15.459 1.00 10.63 ? 92 LEU A CG 1 ATOM 654 C CD1 . LEU A 1 92 ? -0.098 42.588 -14.589 1.00 7.63 ? 92 LEU A CD1 1 ATOM 655 C CD2 . LEU A 1 92 ? -0.138 44.388 -16.418 1.00 10.28 ? 92 LEU A CD2 1 ATOM 656 N N . SER A 1 93 ? -4.374 42.605 -14.072 1.00 8.59 ? 93 SER A N 1 ATOM 657 C CA . SER A 1 93 ? -5.588 43.201 -13.527 1.00 7.54 ? 93 SER A CA 1 ATOM 658 C C . SER A 1 93 ? -5.080 44.359 -12.634 1.00 8.78 ? 93 SER A C 1 ATOM 659 O O . SER A 1 93 ? -3.866 44.477 -12.329 1.00 6.71 ? 93 SER A O 1 ATOM 660 C CB . SER A 1 93 ? -6.521 42.240 -12.854 1.00 3.80 ? 93 SER A CB 1 ATOM 661 O OG . SER A 1 93 ? -7.413 41.800 -13.892 1.00 4.09 ? 93 SER A OG 1 ATOM 662 N N . GLN A 1 94 ? -6.064 45.172 -12.274 1.00 9.28 ? 94 GLN A N 1 ATOM 663 C CA . GLN A 1 94 ? -5.763 46.330 -11.393 1.00 7.34 ? 94 GLN A CA 1 ATOM 664 C C . GLN A 1 94 ? -6.881 46.460 -10.363 1.00 6.94 ? 94 GLN A C 1 ATOM 665 O O . GLN A 1 94 ? -8.058 46.399 -10.779 1.00 6.91 ? 94 GLN A O 1 ATOM 666 C CB . GLN A 1 94 ? -5.560 47.620 -12.178 1.00 7.82 ? 94 GLN A CB 1 ATOM 667 C CG . GLN A 1 94 ? -4.882 48.550 -11.125 1.00 10.17 ? 94 GLN A CG 1 ATOM 668 C CD . GLN A 1 94 ? -4.843 49.974 -11.609 1.00 9.53 ? 94 GLN A CD 1 ATOM 669 O OE1 . GLN A 1 94 ? -3.861 50.365 -12.237 1.00 10.82 ? 94 GLN A OE1 1 ATOM 670 N NE2 . GLN A 1 94 ? -5.931 50.636 -11.259 1.00 7.39 ? 94 GLN A NE2 1 ATOM 671 N N . ASP A 1 95 ? -6.567 46.630 -9.084 1.00 7.19 ? 95 ASP A N 1 ATOM 672 C CA . ASP A 1 95 ? -7.597 46.773 -8.033 1.00 6.91 ? 95 ASP A CA 1 ATOM 673 C C . ASP A 1 95 ? -6.909 47.195 -6.744 1.00 6.79 ? 95 ASP A C 1 ATOM 674 O O . ASP A 1 95 ? -5.695 47.370 -6.853 1.00 2.53 ? 95 ASP A O 1 ATOM 675 C CB . ASP A 1 95 ? -8.396 45.501 -7.979 1.00 8.98 ? 95 ASP A CB 1 ATOM 676 C CG . ASP A 1 95 ? -9.756 45.528 -7.320 1.00 12.02 ? 95 ASP A CG 1 ATOM 677 O OD1 . ASP A 1 95 ? -10.015 46.363 -6.433 1.00 10.17 ? 95 ASP A OD1 1 ATOM 678 O OD2 . ASP A 1 95 ? -10.561 44.646 -7.739 1.00 12.58 ? 95 ASP A OD2 1 ATOM 679 N N . ILE A 1 96 ? -7.660 47.312 -5.650 1.00 9.54 ? 96 ILE A N 1 ATOM 680 C CA . ILE A 1 96 ? -7.181 47.699 -4.325 1.00 11.82 ? 96 ILE A CA 1 ATOM 681 C C . ILE A 1 96 ? -6.782 46.529 -3.392 1.00 13.02 ? 96 ILE A C 1 ATOM 682 O O . ILE A 1 96 ? -7.669 45.698 -3.130 1.00 15.19 ? 96 ILE A O 1 ATOM 683 C CB . ILE A 1 96 ? -8.215 48.481 -3.415 1.00 11.24 ? 96 ILE A CB 1 ATOM 684 C CG1 . ILE A 1 96 ? -9.222 49.274 -4.249 1.00 10.42 ? 96 ILE A CG1 1 ATOM 685 C CG2 . ILE A 1 96 ? -7.570 49.396 -2.327 1.00 11.05 ? 96 ILE A CG2 1 ATOM 686 C CD1 . ILE A 1 96 ? -9.028 50.800 -4.400 1.00 10.81 ? 96 ILE A CD1 1 ATOM 687 N N . ILE A 1 97 ? -5.534 46.493 -2.915 1.00 10.42 ? 97 ILE A N 1 ATOM 688 C CA . ILE A 1 97 ? -5.049 45.449 -2.009 1.00 7.29 ? 97 ILE A CA 1 ATOM 689 C C . ILE A 1 97 ? -5.130 46.127 -0.628 1.00 5.22 ? 97 ILE A C 1 ATOM 690 O O . ILE A 1 97 ? -5.033 47.309 -0.577 1.00 4.79 ? 97 ILE A O 1 ATOM 691 C CB . ILE A 1 97 ? -3.649 44.815 -2.184 1.00 3.41 ? 97 ILE A CB 1 ATOM 692 C CG1 . ILE A 1 97 ? -3.731 43.682 -3.226 1.00 5.39 ? 97 ILE A CG1 1 ATOM 693 C CG2 . ILE A 1 97 ? -3.038 44.243 -0.897 1.00 2.00 ? 97 ILE A CG2 1 ATOM 694 C CD1 . ILE A 1 97 ? -3.685 44.299 -4.632 1.00 4.61 ? 97 ILE A CD1 1 ATOM 695 N N . THR A 1 98 ? -5.318 45.379 0.383 1.00 6.97 ? 98 THR A N 1 ATOM 696 C CA . THR A 1 98 ? -5.432 45.790 1.770 1.00 10.05 ? 98 THR A CA 1 ATOM 697 C C . THR A 1 98 ? -4.497 44.755 2.469 1.00 11.60 ? 98 THR A C 1 ATOM 698 O O . THR A 1 98 ? -4.753 43.562 2.349 1.00 10.53 ? 98 THR A O 1 ATOM 699 C CB . THR A 1 98 ? -6.846 45.844 2.422 1.00 6.71 ? 98 THR A CB 1 ATOM 700 O OG1 . THR A 1 98 ? -7.801 46.522 1.561 1.00 6.65 ? 98 THR A OG1 1 ATOM 701 C CG2 . THR A 1 98 ? -6.677 46.541 3.773 1.00 4.19 ? 98 THR A CG2 1 ATOM 702 N N . VAL A 1 99 ? -3.496 45.304 3.093 1.00 13.06 ? 99 VAL A N 1 ATOM 703 C CA . VAL A 1 99 ? -2.520 44.415 3.765 1.00 16.19 ? 99 VAL A CA 1 ATOM 704 C C . VAL A 1 99 ? -2.263 45.116 5.092 1.00 17.76 ? 99 VAL A C 1 ATOM 705 O O . VAL A 1 99 ? -1.804 46.280 5.181 1.00 18.28 ? 99 VAL A O 1 ATOM 706 C CB . VAL A 1 99 ? -1.420 44.148 2.740 1.00 16.44 ? 99 VAL A CB 1 ATOM 707 C CG1 . VAL A 1 99 ? -1.189 45.320 1.780 1.00 17.31 ? 99 VAL A CG1 1 ATOM 708 C CG2 . VAL A 1 99 ? -0.106 43.707 3.316 1.00 17.09 ? 99 VAL A CG2 1 ATOM 709 N N . GLY A 1 100 ? -2.640 44.307 6.070 1.00 16.56 ? 100 GLY A N 1 ATOM 710 C CA . GLY A 1 100 ? -2.499 44.770 7.451 1.00 16.67 ? 100 GLY A CA 1 ATOM 711 C C . GLY A 1 100 ? -2.977 46.212 7.543 1.00 17.02 ? 100 GLY A C 1 ATOM 712 O O . GLY A 1 100 ? -2.335 46.898 8.358 1.00 18.87 ? 100 GLY A O 1 ATOM 713 N N . GLY A 1 101 ? -4.000 46.606 6.805 1.00 15.97 ? 101 GLY A N 1 ATOM 714 C CA . GLY A 1 101 ? -4.426 47.991 6.948 1.00 18.35 ? 101 GLY A CA 1 ATOM 715 C C . GLY A 1 101 ? -3.791 49.154 6.231 1.00 16.99 ? 101 GLY A C 1 ATOM 716 O O . GLY A 1 101 ? -3.707 50.311 6.636 1.00 18.40 ? 101 GLY A O 1 ATOM 717 N N . ILE A 1 102 ? -3.288 48.908 5.074 1.00 13.79 ? 102 ILE A N 1 ATOM 718 C CA . ILE A 1 102 ? -2.645 49.751 4.105 1.00 8.88 ? 102 ILE A CA 1 ATOM 719 C C . ILE A 1 102 ? -3.506 49.275 2.937 1.00 7.57 ? 102 ILE A C 1 ATOM 720 O O . ILE A 1 102 ? -3.692 48.050 2.775 1.00 7.16 ? 102 ILE A O 1 ATOM 721 C CB . ILE A 1 102 ? -1.130 49.471 3.858 1.00 8.00 ? 102 ILE A CB 1 ATOM 722 C CG1 . ILE A 1 102 ? -0.448 49.363 5.235 1.00 5.24 ? 102 ILE A CG1 1 ATOM 723 C CG2 . ILE A 1 102 ? -0.390 50.461 2.915 1.00 8.47 ? 102 ILE A CG2 1 ATOM 724 C CD1 . ILE A 1 102 ? 0.502 50.485 5.656 1.00 7.91 ? 102 ILE A CD1 1 ATOM 725 N N . THR A 1 103 ? -3.966 50.251 2.229 1.00 7.44 ? 103 THR A N 1 ATOM 726 C CA . THR A 1 103 ? -4.798 49.946 1.037 1.00 8.52 ? 103 THR A CA 1 ATOM 727 C C . THR A 1 103 ? -3.936 50.746 0.057 1.00 8.39 ? 103 THR A C 1 ATOM 728 O O . THR A 1 103 ? -3.641 51.927 0.308 1.00 9.01 ? 103 THR A O 1 ATOM 729 C CB . THR A 1 103 ? -6.325 50.189 1.169 1.00 7.29 ? 103 THR A CB 1 ATOM 730 O OG1 . THR A 1 103 ? -6.518 51.604 0.819 1.00 8.49 ? 103 THR A OG1 1 ATOM 731 C CG2 . THR A 1 103 ? -6.856 49.934 2.561 1.00 7.86 ? 103 THR A CG2 1 ATOM 732 N N . VAL A 1 104 ? -3.556 50.046 -0.967 1.00 7.87 ? 104 VAL A N 1 ATOM 733 C CA . VAL A 1 104 ? -2.682 50.564 -2.062 1.00 6.72 ? 104 VAL A CA 1 ATOM 734 C C . VAL A 1 104 ? -3.316 50.115 -3.375 1.00 5.48 ? 104 VAL A C 1 ATOM 735 O O . VAL A 1 104 ? -4.031 49.104 -3.325 1.00 4.70 ? 104 VAL A O 1 ATOM 736 C CB . VAL A 1 104 ? -1.346 49.942 -1.682 1.00 2.54 ? 104 VAL A CB 1 ATOM 737 C CG1 . VAL A 1 104 ? -1.581 48.415 -1.799 1.00 7.41 ? 104 VAL A CG1 1 ATOM 738 C CG2 . VAL A 1 104 ? -0.123 50.229 -2.520 1.00 6.64 ? 104 VAL A CG2 1 ATOM 739 N N . THR A 1 105 ? -3.130 50.795 -4.485 1.00 6.53 ? 105 THR A N 1 ATOM 740 C CA . THR A 1 105 ? -3.695 50.443 -5.784 1.00 6.74 ? 105 THR A CA 1 ATOM 741 C C . THR A 1 105 ? -2.560 49.683 -6.482 1.00 6.43 ? 105 THR A C 1 ATOM 742 O O . THR A 1 105 ? -1.500 50.230 -6.733 1.00 5.55 ? 105 THR A O 1 ATOM 743 C CB . THR A 1 105 ? -4.188 51.589 -6.739 1.00 8.73 ? 105 THR A CB 1 ATOM 744 O OG1 . THR A 1 105 ? -5.167 52.489 -6.152 1.00 6.77 ? 105 THR A OG1 1 ATOM 745 C CG2 . THR A 1 105 ? -4.704 50.843 -8.004 1.00 9.61 ? 105 THR A CG2 1 ATOM 746 N N . GLN A 1 106 ? -2.756 48.436 -6.757 1.00 8.06 ? 106 GLN A N 1 ATOM 747 C CA . GLN A 1 106 ? -1.808 47.529 -7.388 1.00 5.28 ? 106 GLN A CA 1 ATOM 748 C C . GLN A 1 106 ? -2.257 46.896 -8.678 1.00 5.34 ? 106 GLN A C 1 ATOM 749 O O . GLN A 1 106 ? -3.435 46.592 -8.916 1.00 7.97 ? 106 GLN A O 1 ATOM 750 C CB . GLN A 1 106 ? -1.615 46.453 -6.323 1.00 5.62 ? 106 GLN A CB 1 ATOM 751 C CG . GLN A 1 106 ? -0.242 45.976 -5.994 1.00 5.10 ? 106 GLN A CG 1 ATOM 752 C CD . GLN A 1 106 ? 0.891 46.850 -6.438 1.00 6.20 ? 106 GLN A CD 1 ATOM 753 O OE1 . GLN A 1 106 ? 1.351 47.846 -5.909 1.00 7.94 ? 106 GLN A OE1 1 ATOM 754 N NE2 . GLN A 1 106 ? 1.466 46.454 -7.569 1.00 10.74 ? 106 GLN A NE2 1 ATOM 755 N N . MET A 1 107 ? -1.348 46.658 -9.548 1.00 5.64 ? 107 MET A N 1 ATOM 756 C CA . MET A 1 107 ? -1.518 46.006 -10.851 1.00 10.45 ? 107 MET A CA 1 ATOM 757 C C . MET A 1 107 ? -1.235 44.591 -10.315 1.00 11.04 ? 107 MET A C 1 ATOM 758 O O . MET A 1 107 ? -0.314 44.679 -9.480 1.00 14.08 ? 107 MET A O 1 ATOM 759 C CB . MET A 1 107 ? -0.439 46.257 -11.874 1.00 12.89 ? 107 MET A CB 1 ATOM 760 C CG . MET A 1 107 ? -0.388 47.656 -12.407 1.00 20.68 ? 107 MET A CG 1 ATOM 761 S SD . MET A 1 107 ? -0.601 47.466 -14.227 1.00 29.82 ? 107 MET A SD 1 ATOM 762 C CE . MET A 1 107 ? -2.399 47.505 -14.321 1.00 27.16 ? 107 MET A CE 1 ATOM 763 N N . PHE A 1 108 ? -1.807 43.494 -10.639 1.00 10.05 ? 108 PHE A N 1 ATOM 764 C CA . PHE A 1 108 ? -1.531 42.161 -10.140 1.00 7.63 ? 108 PHE A CA 1 ATOM 765 C C . PHE A 1 108 ? -1.970 41.255 -11.296 1.00 7.52 ? 108 PHE A C 1 ATOM 766 O O . PHE A 1 108 ? -2.762 41.744 -12.092 1.00 7.78 ? 108 PHE A O 1 ATOM 767 C CB . PHE A 1 108 ? -2.252 41.710 -8.859 1.00 6.46 ? 108 PHE A CB 1 ATOM 768 C CG . PHE A 1 108 ? -3.760 41.777 -8.879 1.00 6.66 ? 108 PHE A CG 1 ATOM 769 C CD1 . PHE A 1 108 ? -4.428 42.992 -8.656 1.00 4.54 ? 108 PHE A CD1 1 ATOM 770 C CD2 . PHE A 1 108 ? -4.488 40.602 -9.139 1.00 5.03 ? 108 PHE A CD2 1 ATOM 771 C CE1 . PHE A 1 108 ? -5.825 43.004 -8.681 1.00 4.79 ? 108 PHE A CE1 1 ATOM 772 C CE2 . PHE A 1 108 ? -5.875 40.642 -9.161 1.00 5.77 ? 108 PHE A CE2 1 ATOM 773 C CZ . PHE A 1 108 ? -6.574 41.842 -8.932 1.00 3.55 ? 108 PHE A CZ 1 ATOM 774 N N . GLY A 1 109 ? -1.495 40.035 -11.361 1.00 8.42 ? 109 GLY A N 1 ATOM 775 C CA . GLY A 1 109 ? -1.818 39.055 -12.382 1.00 7.69 ? 109 GLY A CA 1 ATOM 776 C C . GLY A 1 109 ? -2.955 38.169 -11.854 1.00 8.52 ? 109 GLY A C 1 ATOM 777 O O . GLY A 1 109 ? -2.889 37.712 -10.730 1.00 7.69 ? 109 GLY A O 1 ATOM 778 N N . GLU A 1 110 ? -3.941 37.965 -12.687 1.00 10.53 ? 110 GLU A N 1 ATOM 779 C CA . GLU A 1 110 ? -5.127 37.148 -12.409 1.00 11.31 ? 110 GLU A CA 1 ATOM 780 C C . GLU A 1 110 ? -4.747 35.812 -13.061 1.00 12.03 ? 110 GLU A C 1 ATOM 781 O O . GLU A 1 110 ? -4.752 35.760 -14.298 1.00 11.99 ? 110 GLU A O 1 ATOM 782 C CB . GLU A 1 110 ? -6.374 37.773 -12.976 1.00 11.44 ? 110 GLU A CB 1 ATOM 783 C CG . GLU A 1 110 ? -7.354 38.515 -12.095 1.00 14.56 ? 110 GLU A CG 1 ATOM 784 C CD . GLU A 1 110 ? -8.706 38.798 -12.667 1.00 17.45 ? 110 GLU A CD 1 ATOM 785 O OE1 . GLU A 1 110 ? -8.849 39.798 -13.413 1.00 16.58 ? 110 GLU A OE1 1 ATOM 786 O OE2 . GLU A 1 110 ? -9.654 38.067 -12.420 1.00 21.15 ? 110 GLU A OE2 1 ATOM 787 N N . VAL A 1 111 ? -4.423 34.815 -12.248 1.00 12.38 ? 111 VAL A N 1 ATOM 788 C CA . VAL A 1 111 ? -4.003 33.502 -12.735 1.00 15.26 ? 111 VAL A CA 1 ATOM 789 C C . VAL A 1 111 ? -5.112 32.598 -13.243 1.00 15.74 ? 111 VAL A C 1 ATOM 790 O O . VAL A 1 111 ? -6.071 32.175 -12.645 1.00 18.39 ? 111 VAL A O 1 ATOM 791 C CB . VAL A 1 111 ? -3.025 32.873 -11.719 1.00 14.59 ? 111 VAL A CB 1 ATOM 792 C CG1 . VAL A 1 111 ? -2.807 31.422 -12.066 1.00 14.63 ? 111 VAL A CG1 1 ATOM 793 C CG2 . VAL A 1 111 ? -1.784 33.737 -11.692 1.00 10.70 ? 111 VAL A CG2 1 ATOM 794 N N . THR A 1 112 ? -4.961 32.262 -14.491 1.00 17.37 ? 112 THR A N 1 ATOM 795 C CA . THR A 1 112 ? -5.784 31.482 -15.391 1.00 19.59 ? 112 THR A CA 1 ATOM 796 C C . THR A 1 112 ? -5.292 30.131 -15.771 1.00 23.44 ? 112 THR A C 1 ATOM 797 O O . THR A 1 112 ? -6.079 29.430 -16.426 1.00 25.48 ? 112 THR A O 1 ATOM 798 C CB . THR A 1 112 ? -5.840 32.489 -16.617 1.00 18.93 ? 112 THR A CB 1 ATOM 799 O OG1 . THR A 1 112 ? -7.186 33.043 -16.444 1.00 22.34 ? 112 THR A OG1 1 ATOM 800 C CG2 . THR A 1 112 ? -5.487 31.924 -17.960 1.00 20.70 ? 112 THR A CG2 1 ATOM 801 N N . GLU A 1 113 ? -4.078 29.807 -15.393 1.00 26.04 ? 113 GLU A N 1 ATOM 802 C CA . GLU A 1 113 ? -3.430 28.529 -15.652 1.00 28.94 ? 113 GLU A CA 1 ATOM 803 C C . GLU A 1 113 ? -2.365 28.336 -14.557 1.00 30.35 ? 113 GLU A C 1 ATOM 804 O O . GLU A 1 113 ? -1.394 29.075 -14.347 1.00 30.25 ? 113 GLU A O 1 ATOM 805 C CB . GLU A 1 113 ? -2.781 28.275 -16.988 1.00 31.99 ? 113 GLU A CB 1 ATOM 806 C CG . GLU A 1 113 ? -3.726 28.287 -18.180 1.00 37.33 ? 113 GLU A CG 1 ATOM 807 C CD . GLU A 1 113 ? -3.400 29.171 -19.347 1.00 41.63 ? 113 GLU A CD 1 ATOM 808 O OE1 . GLU A 1 113 ? -2.266 29.716 -19.275 1.00 42.96 ? 113 GLU A OE1 1 ATOM 809 O OE2 . GLU A 1 113 ? -4.189 29.336 -20.282 1.00 43.47 ? 113 GLU A OE2 1 ATOM 810 N N . MET A 1 114 ? -2.602 27.274 -13.832 1.00 31.00 ? 114 MET A N 1 ATOM 811 C CA . MET A 1 114 ? -1.854 26.758 -12.713 1.00 32.42 ? 114 MET A CA 1 ATOM 812 C C . MET A 1 114 ? -1.588 25.269 -12.923 1.00 33.19 ? 114 MET A C 1 ATOM 813 O O . MET A 1 114 ? -2.517 24.534 -13.220 1.00 32.57 ? 114 MET A O 1 ATOM 814 C CB . MET A 1 114 ? -2.626 26.867 -11.388 1.00 29.93 ? 114 MET A CB 1 ATOM 815 C CG . MET A 1 114 ? -2.428 28.164 -10.704 1.00 28.68 ? 114 MET A CG 1 ATOM 816 S SD . MET A 1 114 ? -3.526 28.321 -9.252 1.00 27.67 ? 114 MET A SD 1 ATOM 817 C CE . MET A 1 114 ? -2.238 28.453 -7.975 1.00 28.90 ? 114 MET A CE 1 ATOM 818 N N . PRO A 1 115 ? -0.332 24.926 -12.741 1.00 35.63 ? 115 PRO A N 1 ATOM 819 C CA . PRO A 1 115 ? 0.060 23.518 -12.900 1.00 36.54 ? 115 PRO A CA 1 ATOM 820 C C . PRO A 1 115 ? -0.490 22.732 -11.712 1.00 37.70 ? 115 PRO A C 1 ATOM 821 O O . PRO A 1 115 ? -0.454 23.186 -10.556 1.00 37.38 ? 115 PRO A O 1 ATOM 822 C CB . PRO A 1 115 ? 1.565 23.543 -13.041 1.00 35.92 ? 115 PRO A CB 1 ATOM 823 C CG . PRO A 1 115 ? 2.007 24.897 -12.562 1.00 36.28 ? 115 PRO A CG 1 ATOM 824 C CD . PRO A 1 115 ? 0.800 25.793 -12.380 1.00 34.61 ? 115 PRO A CD 1 ATOM 825 N N . ALA A 1 116 ? -0.979 21.556 -12.061 1.00 38.79 ? 116 ALA A N 1 ATOM 826 C CA . ALA A 1 116 ? -1.573 20.649 -11.084 1.00 40.68 ? 116 ALA A CA 1 ATOM 827 C C . ALA A 1 116 ? -0.703 19.911 -10.097 1.00 41.99 ? 116 ALA A C 1 ATOM 828 O O . ALA A 1 116 ? -1.358 19.111 -9.371 1.00 41.95 ? 116 ALA A O 1 ATOM 829 C CB . ALA A 1 116 ? -2.525 19.766 -11.913 1.00 41.33 ? 116 ALA A CB 1 ATOM 830 N N . LEU A 1 117 ? 0.604 20.106 -9.989 1.00 44.42 ? 117 LEU A N 1 ATOM 831 C CA . LEU A 1 117 ? 1.337 19.299 -8.970 1.00 46.35 ? 117 LEU A CA 1 ATOM 832 C C . LEU A 1 117 ? 1.902 20.071 -7.804 1.00 47.15 ? 117 LEU A C 1 ATOM 833 O O . LEU A 1 117 ? 1.509 19.714 -6.665 1.00 48.68 ? 117 LEU A O 1 ATOM 834 C CB . LEU A 1 117 ? 2.361 18.341 -9.607 1.00 45.97 ? 117 LEU A CB 1 ATOM 835 C CG . LEU A 1 117 ? 1.644 17.047 -10.026 1.00 48.36 ? 117 LEU A CG 1 ATOM 836 C CD1 . LEU A 1 117 ? 2.559 16.196 -10.903 1.00 48.35 ? 117 LEU A CD1 1 ATOM 837 C CD2 . LEU A 1 117 ? 1.135 16.313 -8.778 1.00 47.78 ? 117 LEU A CD2 1 ATOM 838 N N . PRO A 1 118 ? 2.747 21.026 -8.118 1.00 46.32 ? 118 PRO A N 1 ATOM 839 C CA . PRO A 1 118 ? 3.311 21.844 -7.042 1.00 44.75 ? 118 PRO A CA 1 ATOM 840 C C . PRO A 1 118 ? 2.151 22.614 -6.393 1.00 43.38 ? 118 PRO A C 1 ATOM 841 O O . PRO A 1 118 ? 2.055 22.668 -5.154 1.00 44.12 ? 118 PRO A O 1 ATOM 842 C CB . PRO A 1 118 ? 4.273 22.775 -7.773 1.00 45.17 ? 118 PRO A CB 1 ATOM 843 C CG . PRO A 1 118 ? 3.634 22.896 -9.144 1.00 46.05 ? 118 PRO A CG 1 ATOM 844 C CD . PRO A 1 118 ? 3.195 21.444 -9.448 1.00 46.23 ? 118 PRO A CD 1 ATOM 845 N N . PHE A 1 119 ? 1.275 23.199 -7.201 1.00 41.44 ? 119 PHE A N 1 ATOM 846 C CA . PHE A 1 119 ? 0.165 24.009 -6.660 1.00 40.60 ? 119 PHE A CA 1 ATOM 847 C C . PHE A 1 119 ? -0.998 23.363 -5.938 1.00 40.83 ? 119 PHE A C 1 ATOM 848 O O . PHE A 1 119 ? -1.624 24.092 -5.123 1.00 40.69 ? 119 PHE A O 1 ATOM 849 C CB . PHE A 1 119 ? -0.292 25.064 -7.693 1.00 37.55 ? 119 PHE A CB 1 ATOM 850 C CG . PHE A 1 119 ? 0.751 26.155 -7.752 1.00 34.78 ? 119 PHE A CG 1 ATOM 851 C CD1 . PHE A 1 119 ? 1.106 26.853 -6.603 1.00 33.69 ? 119 PHE A CD1 1 ATOM 852 C CD2 . PHE A 1 119 ? 1.370 26.453 -8.961 1.00 33.58 ? 119 PHE A CD2 1 ATOM 853 C CE1 . PHE A 1 119 ? 2.080 27.861 -6.666 1.00 33.06 ? 119 PHE A CE1 1 ATOM 854 C CE2 . PHE A 1 119 ? 2.346 27.442 -9.045 1.00 32.35 ? 119 PHE A CE2 1 ATOM 855 C CZ . PHE A 1 119 ? 2.696 28.145 -7.898 1.00 31.77 ? 119 PHE A CZ 1 ATOM 856 N N . MET A 1 120 ? -1.244 22.114 -6.202 1.00 40.34 ? 120 MET A N 1 ATOM 857 C CA . MET A 1 120 ? -2.323 21.388 -5.562 1.00 39.93 ? 120 MET A CA 1 ATOM 858 C C . MET A 1 120 ? -2.161 21.315 -4.046 1.00 39.04 ? 120 MET A C 1 ATOM 859 O O . MET A 1 120 ? -3.122 21.445 -3.252 1.00 39.59 ? 120 MET A O 1 ATOM 860 C CB . MET A 1 120 ? -2.265 19.997 -6.211 1.00 43.92 ? 120 MET A CB 1 ATOM 861 C CG . MET A 1 120 ? -3.391 19.138 -5.689 1.00 48.66 ? 120 MET A CG 1 ATOM 862 S SD . MET A 1 120 ? -4.946 20.112 -5.893 1.00 51.30 ? 120 MET A SD 1 ATOM 863 C CE . MET A 1 120 ? -4.977 20.078 -7.705 1.00 51.57 ? 120 MET A CE 1 ATOM 864 N N . LEU A 1 121 ? -0.921 21.085 -3.633 1.00 36.60 ? 121 LEU A N 1 ATOM 865 C CA . LEU A 1 121 ? -0.536 20.961 -2.220 1.00 34.53 ? 121 LEU A CA 1 ATOM 866 C C . LEU A 1 121 ? 0.286 22.194 -1.833 1.00 32.91 ? 121 LEU A C 1 ATOM 867 O O . LEU A 1 121 ? 1.499 22.147 -1.587 1.00 33.42 ? 121 LEU A O 1 ATOM 868 C CB . LEU A 1 121 ? 0.325 19.737 -2.073 1.00 35.21 ? 121 LEU A CB 1 ATOM 869 C CG . LEU A 1 121 ? 0.131 18.293 -2.403 1.00 35.01 ? 121 LEU A CG 1 ATOM 870 C CD1 . LEU A 1 121 ? 0.320 17.982 -3.887 1.00 33.43 ? 121 LEU A CD1 1 ATOM 871 C CD2 . LEU A 1 121 ? 1.209 17.618 -1.534 1.00 34.18 ? 121 LEU A CD2 1 ATOM 872 N N . ALA A 1 122 ? -0.379 23.312 -1.800 1.00 30.49 ? 122 ALA A N 1 ATOM 873 C CA . ALA A 1 122 ? 0.121 24.645 -1.491 1.00 25.80 ? 122 ALA A CA 1 ATOM 874 C C . ALA A 1 122 ? -1.053 25.267 -0.743 1.00 22.89 ? 122 ALA A C 1 ATOM 875 O O . ALA A 1 122 ? -2.068 25.527 -1.396 1.00 23.41 ? 122 ALA A O 1 ATOM 876 C CB . ALA A 1 122 ? 0.392 25.429 -2.761 1.00 23.34 ? 122 ALA A CB 1 ATOM 877 N N . GLU A 1 123 ? -0.835 25.433 0.529 1.00 20.04 ? 123 GLU A N 1 ATOM 878 C CA . GLU A 1 123 ? -1.873 26.023 1.370 1.00 18.47 ? 123 GLU A CA 1 ATOM 879 C C . GLU A 1 123 ? -2.189 27.456 0.978 1.00 16.42 ? 123 GLU A C 1 ATOM 880 O O . GLU A 1 123 ? -3.209 27.981 1.449 1.00 15.34 ? 123 GLU A O 1 ATOM 881 C CB . GLU A 1 123 ? -1.381 25.873 2.803 1.00 20.83 ? 123 GLU A CB 1 ATOM 882 C CG . GLU A 1 123 ? -1.110 24.386 3.112 1.00 25.34 ? 123 GLU A CG 1 ATOM 883 C CD . GLU A 1 123 ? -2.358 23.625 3.502 1.00 28.73 ? 123 GLU A CD 1 ATOM 884 O OE1 . GLU A 1 123 ? -3.288 24.274 4.006 1.00 29.66 ? 123 GLU A OE1 1 ATOM 885 O OE2 . GLU A 1 123 ? -2.274 22.388 3.257 1.00 26.40 ? 123 GLU A OE2 1 ATOM 886 N N . PHE A 1 124 ? -1.407 28.086 0.149 1.00 14.39 ? 124 PHE A N 1 ATOM 887 C CA . PHE A 1 124 ? -1.572 29.461 -0.305 1.00 14.05 ? 124 PHE A CA 1 ATOM 888 C C . PHE A 1 124 ? -2.223 29.568 -1.668 1.00 14.67 ? 124 PHE A C 1 ATOM 889 O O . PHE A 1 124 ? -2.197 28.652 -2.542 1.00 16.82 ? 124 PHE A O 1 ATOM 890 C CB . PHE A 1 124 ? -0.200 30.129 -0.134 1.00 17.13 ? 124 PHE A CB 1 ATOM 891 C CG . PHE A 1 124 ? 0.849 29.538 -1.038 1.00 18.28 ? 124 PHE A CG 1 ATOM 892 C CD1 . PHE A 1 124 ? 0.975 30.009 -2.351 1.00 19.04 ? 124 PHE A CD1 1 ATOM 893 C CD2 . PHE A 1 124 ? 1.686 28.512 -0.588 1.00 16.17 ? 124 PHE A CD2 1 ATOM 894 C CE1 . PHE A 1 124 ? 1.926 29.484 -3.218 1.00 18.26 ? 124 PHE A CE1 1 ATOM 895 C CE2 . PHE A 1 124 ? 2.644 27.976 -1.417 1.00 12.74 ? 124 PHE A CE2 1 ATOM 896 C CZ . PHE A 1 124 ? 2.753 28.457 -2.730 1.00 17.38 ? 124 PHE A CZ 1 ATOM 897 N N . ASP A 1 125 ? -2.868 30.720 -1.878 1.00 12.76 ? 125 ASP A N 1 ATOM 898 C CA . ASP A 1 125 ? -3.609 31.028 -3.118 1.00 9.52 ? 125 ASP A CA 1 ATOM 899 C C . ASP A 1 125 ? -2.825 31.775 -4.167 1.00 10.70 ? 125 ASP A C 1 ATOM 900 O O . ASP A 1 125 ? -3.070 31.650 -5.385 1.00 11.47 ? 125 ASP A O 1 ATOM 901 C CB . ASP A 1 125 ? -4.752 31.931 -2.742 1.00 9.86 ? 125 ASP A CB 1 ATOM 902 C CG . ASP A 1 125 ? -5.941 31.312 -2.064 1.00 8.49 ? 125 ASP A CG 1 ATOM 903 O OD1 . ASP A 1 125 ? -6.803 30.806 -2.796 1.00 10.68 ? 125 ASP A OD1 1 ATOM 904 O OD2 . ASP A 1 125 ? -5.878 31.434 -0.842 1.00 3.87 ? 125 ASP A OD2 1 ATOM 905 N N . GLY A 1 126 ? -1.896 32.573 -3.645 1.00 10.86 ? 126 GLY A N 1 ATOM 906 C CA . GLY A 1 126 ? -1.082 33.367 -4.604 1.00 11.84 ? 126 GLY A CA 1 ATOM 907 C C . GLY A 1 126 ? 0.110 33.942 -3.901 1.00 9.45 ? 126 GLY A C 1 ATOM 908 O O . GLY A 1 126 ? 0.290 33.453 -2.791 1.00 12.77 ? 126 GLY A O 1 ATOM 909 N N . VAL A 1 127 ? 0.779 34.857 -4.514 1.00 7.97 ? 127 VAL A N 1 ATOM 910 C CA . VAL A 1 127 ? 1.996 35.499 -3.995 1.00 6.09 ? 127 VAL A CA 1 ATOM 911 C C . VAL A 1 127 ? 2.037 37.003 -4.186 1.00 5.78 ? 127 VAL A C 1 ATOM 912 O O . VAL A 1 127 ? 1.568 37.558 -5.181 1.00 4.74 ? 127 VAL A O 1 ATOM 913 C CB . VAL A 1 127 ? 3.153 34.824 -4.808 1.00 4.13 ? 127 VAL A CB 1 ATOM 914 C CG1 . VAL A 1 127 ? 4.535 35.423 -4.582 1.00 5.60 ? 127 VAL A CG1 1 ATOM 915 C CG2 . VAL A 1 127 ? 3.226 33.326 -4.565 1.00 2.00 ? 127 VAL A CG2 1 ATOM 916 N N . VAL A 1 128 ? 2.606 37.709 -3.238 1.00 4.12 ? 128 VAL A N 1 ATOM 917 C CA . VAL A 1 128 ? 2.876 39.116 -3.074 1.00 2.00 ? 128 VAL A CA 1 ATOM 918 C C . VAL A 1 128 ? 4.455 39.070 -2.999 1.00 3.68 ? 128 VAL A C 1 ATOM 919 O O . VAL A 1 128 ? 5.043 38.587 -1.970 1.00 2.38 ? 128 VAL A O 1 ATOM 920 C CB . VAL A 1 128 ? 2.337 39.729 -1.795 1.00 2.00 ? 128 VAL A CB 1 ATOM 921 C CG1 . VAL A 1 128 ? 2.950 41.131 -1.616 1.00 3.36 ? 128 VAL A CG1 1 ATOM 922 C CG2 . VAL A 1 128 ? 0.828 39.787 -1.598 1.00 2.00 ? 128 VAL A CG2 1 ATOM 923 N N . GLY A 1 129 ? 5.119 39.529 -4.035 1.00 2.00 ? 129 GLY A N 1 ATOM 924 C CA . GLY A 1 129 ? 6.593 39.489 -3.983 1.00 4.56 ? 129 GLY A CA 1 ATOM 925 C C . GLY A 1 129 ? 7.128 40.802 -3.348 1.00 4.74 ? 129 GLY A C 1 ATOM 926 O O . GLY A 1 129 ? 6.654 41.909 -3.616 1.00 2.00 ? 129 GLY A O 1 ATOM 927 N N . MET A 1 130 ? 8.153 40.556 -2.534 1.00 6.65 ? 130 MET A N 1 ATOM 928 C CA . MET A 1 130 ? 8.751 41.725 -1.823 1.00 7.29 ? 130 MET A CA 1 ATOM 929 C C . MET A 1 130 ? 10.013 42.301 -2.437 1.00 5.94 ? 130 MET A C 1 ATOM 930 O O . MET A 1 130 ? 10.745 43.038 -1.780 1.00 6.96 ? 130 MET A O 1 ATOM 931 C CB . MET A 1 130 ? 8.755 41.236 -0.388 1.00 4.75 ? 130 MET A CB 1 ATOM 932 C CG . MET A 1 130 ? 8.089 42.300 0.402 1.00 4.05 ? 130 MET A CG 1 ATOM 933 S SD . MET A 1 130 ? 6.280 42.286 0.228 1.00 4.65 ? 130 MET A SD 1 ATOM 934 C CE . MET A 1 130 ? 6.046 43.195 1.786 1.00 4.02 ? 130 MET A CE 1 ATOM 935 N N . GLY A 1 131 ? 10.212 41.973 -3.663 1.00 3.65 ? 131 GLY A N 1 ATOM 936 C CA . GLY A 1 131 ? 11.266 42.309 -4.578 1.00 5.82 ? 131 GLY A CA 1 ATOM 937 C C . GLY A 1 131 ? 11.271 43.686 -5.202 1.00 6.27 ? 131 GLY A C 1 ATOM 938 O O . GLY A 1 131 ? 10.422 44.524 -5.067 1.00 5.46 ? 131 GLY A O 1 ATOM 939 N N . PHE A 1 132 ? 12.335 43.968 -5.936 1.00 8.28 ? 132 PHE A N 1 ATOM 940 C CA . PHE A 1 132 ? 12.652 45.224 -6.615 1.00 5.16 ? 132 PHE A CA 1 ATOM 941 C C . PHE A 1 132 ? 12.070 45.312 -8.001 1.00 6.12 ? 132 PHE A C 1 ATOM 942 O O . PHE A 1 132 ? 11.944 44.269 -8.644 1.00 5.91 ? 132 PHE A O 1 ATOM 943 C CB . PHE A 1 132 ? 14.160 45.328 -6.641 1.00 5.53 ? 132 PHE A CB 1 ATOM 944 C CG . PHE A 1 132 ? 14.812 45.441 -5.291 1.00 4.69 ? 132 PHE A CG 1 ATOM 945 C CD1 . PHE A 1 132 ? 14.943 44.337 -4.462 1.00 2.00 ? 132 PHE A CD1 1 ATOM 946 C CD2 . PHE A 1 132 ? 15.303 46.699 -4.877 1.00 4.04 ? 132 PHE A CD2 1 ATOM 947 C CE1 . PHE A 1 132 ? 15.558 44.454 -3.225 1.00 2.00 ? 132 PHE A CE1 1 ATOM 948 C CE2 . PHE A 1 132 ? 15.896 46.852 -3.642 1.00 2.00 ? 132 PHE A CE2 1 ATOM 949 C CZ . PHE A 1 132 ? 16.024 45.729 -2.841 1.00 2.00 ? 132 PHE A CZ 1 ATOM 950 N N . ILE A 1 133 ? 11.752 46.537 -8.394 1.00 6.19 ? 133 ILE A N 1 ATOM 951 C CA . ILE A 1 133 ? 11.150 46.717 -9.713 1.00 7.30 ? 133 ILE A CA 1 ATOM 952 C C . ILE A 1 133 ? 11.887 45.935 -10.784 1.00 9.32 ? 133 ILE A C 1 ATOM 953 O O . ILE A 1 133 ? 11.260 45.424 -11.717 1.00 9.01 ? 133 ILE A O 1 ATOM 954 C CB . ILE A 1 133 ? 10.781 48.195 -10.082 1.00 4.86 ? 133 ILE A CB 1 ATOM 955 C CG1 . ILE A 1 133 ? 9.732 47.974 -11.198 1.00 2.31 ? 133 ILE A CG1 1 ATOM 956 C CG2 . ILE A 1 133 ? 12.037 49.043 -10.430 1.00 2.39 ? 133 ILE A CG2 1 ATOM 957 C CD1 . ILE A 1 133 ? 9.070 49.200 -11.859 1.00 2.52 ? 133 ILE A CD1 1 ATOM 958 N N . GLU A 1 134 ? 13.184 45.812 -10.648 1.00 12.86 ? 134 GLU A N 1 ATOM 959 C CA . GLU A 1 134 ? 14.007 45.080 -11.617 1.00 13.96 ? 134 GLU A CA 1 ATOM 960 C C . GLU A 1 134 ? 13.695 43.626 -11.819 1.00 14.77 ? 134 GLU A C 1 ATOM 961 O O . GLU A 1 134 ? 14.201 43.088 -12.827 1.00 17.48 ? 134 GLU A O 1 ATOM 962 C CB . GLU A 1 134 ? 15.462 44.996 -11.133 1.00 15.90 ? 134 GLU A CB 1 ATOM 963 C CG . GLU A 1 134 ? 16.349 46.213 -11.116 1.00 18.55 ? 134 GLU A CG 1 ATOM 964 C CD . GLU A 1 134 ? 15.718 47.376 -10.420 1.00 20.44 ? 134 GLU A CD 1 ATOM 965 O OE1 . GLU A 1 134 ? 14.791 48.023 -10.842 1.00 23.76 ? 134 GLU A OE1 1 ATOM 966 O OE2 . GLU A 1 134 ? 16.226 47.644 -9.328 1.00 23.50 ? 134 GLU A OE2 1 ATOM 967 N N . GLN A 1 135 ? 12.974 42.971 -10.957 1.00 16.00 ? 135 GLN A N 1 ATOM 968 C CA . GLN A 1 135 ? 12.655 41.536 -11.074 1.00 15.00 ? 135 GLN A CA 1 ATOM 969 C C . GLN A 1 135 ? 11.212 41.291 -11.486 1.00 13.63 ? 135 GLN A C 1 ATOM 970 O O . GLN A 1 135 ? 10.713 40.141 -11.538 1.00 14.05 ? 135 GLN A O 1 ATOM 971 C CB . GLN A 1 135 ? 12.822 40.909 -9.702 1.00 17.45 ? 135 GLN A CB 1 ATOM 972 C CG . GLN A 1 135 ? 14.111 41.269 -8.996 1.00 24.35 ? 135 GLN A CG 1 ATOM 973 C CD . GLN A 1 135 ? 15.174 40.443 -9.717 1.00 27.35 ? 135 GLN A CD 1 ATOM 974 O OE1 . GLN A 1 135 ? 15.729 40.966 -10.682 1.00 29.86 ? 135 GLN A OE1 1 ATOM 975 N NE2 . GLN A 1 135 ? 15.317 39.235 -9.168 1.00 27.93 ? 135 GLN A NE2 1 ATOM 976 N N . ALA A 1 136 ? 10.571 42.404 -11.724 1.00 14.19 ? 136 ALA A N 1 ATOM 977 C CA . ALA A 1 136 ? 9.156 42.434 -12.104 1.00 15.14 ? 136 ALA A CA 1 ATOM 978 C C . ALA A 1 136 ? 8.946 42.131 -13.575 1.00 16.51 ? 136 ALA A C 1 ATOM 979 O O . ALA A 1 136 ? 9.486 42.848 -14.430 1.00 19.38 ? 136 ALA A O 1 ATOM 980 C CB . ALA A 1 136 ? 8.537 43.786 -11.716 1.00 10.96 ? 136 ALA A CB 1 ATOM 981 N N . ILE A 1 137 ? 8.174 41.097 -13.822 1.00 17.28 ? 137 ILE A N 1 ATOM 982 C CA . ILE A 1 137 ? 7.831 40.689 -15.204 1.00 17.61 ? 137 ILE A CA 1 ATOM 983 C C . ILE A 1 137 ? 6.851 41.751 -15.706 1.00 19.49 ? 137 ILE A C 1 ATOM 984 O O . ILE A 1 137 ? 5.738 41.818 -15.135 1.00 19.53 ? 137 ILE A O 1 ATOM 985 C CB . ILE A 1 137 ? 7.264 39.244 -15.075 1.00 15.05 ? 137 ILE A CB 1 ATOM 986 C CG1 . ILE A 1 137 ? 8.370 38.311 -14.560 1.00 13.05 ? 137 ILE A CG1 1 ATOM 987 C CG2 . ILE A 1 137 ? 6.602 38.836 -16.412 1.00 15.41 ? 137 ILE A CG2 1 ATOM 988 C CD1 . ILE A 1 137 ? 9.847 38.644 -14.937 1.00 10.93 ? 137 ILE A CD1 1 ATOM 989 N N . GLY A 1 138 ? 7.271 42.534 -16.676 1.00 20.66 ? 138 GLY A N 1 ATOM 990 C CA . GLY A 1 138 ? 6.429 43.606 -17.220 1.00 22.67 ? 138 GLY A CA 1 ATOM 991 C C . GLY A 1 138 ? 6.759 44.919 -16.483 1.00 24.26 ? 138 GLY A C 1 ATOM 992 O O . GLY A 1 138 ? 6.225 46.005 -16.789 1.00 23.25 ? 138 GLY A O 1 ATOM 993 N N . ARG A 1 139 ? 7.650 44.817 -15.521 1.00 24.59 ? 139 ARG A N 1 ATOM 994 C CA . ARG A 1 139 ? 8.068 45.976 -14.705 1.00 27.49 ? 139 ARG A CA 1 ATOM 995 C C . ARG A 1 139 ? 6.824 46.625 -14.093 1.00 26.16 ? 139 ARG A C 1 ATOM 996 O O . ARG A 1 139 ? 6.534 47.829 -14.164 1.00 28.81 ? 139 ARG A O 1 ATOM 997 C CB . ARG A 1 139 ? 8.896 47.045 -15.398 1.00 30.96 ? 139 ARG A CB 1 ATOM 998 C CG . ARG A 1 139 ? 9.539 46.576 -16.691 1.00 35.91 ? 139 ARG A CG 1 ATOM 999 C CD . ARG A 1 139 ? 8.997 47.347 -17.848 1.00 40.32 ? 139 ARG A CD 1 ATOM 1000 N NE . ARG A 1 139 ? 9.958 47.856 -18.796 1.00 42.44 ? 139 ARG A NE 1 ATOM 1001 C CZ . ARG A 1 139 ? 11.217 47.480 -19.018 1.00 45.05 ? 139 ARG A CZ 1 ATOM 1002 N NH1 . ARG A 1 139 ? 11.846 46.512 -18.331 1.00 45.70 ? 139 ARG A NH1 1 ATOM 1003 N NH2 . ARG A 1 139 ? 11.870 48.127 -20.000 1.00 45.87 ? 139 ARG A NH2 1 ATOM 1004 N N . VAL A 1 140 ? 6.059 45.750 -13.477 1.00 24.26 ? 140 VAL A N 1 ATOM 1005 C CA . VAL A 1 140 ? 4.815 46.200 -12.820 1.00 21.29 ? 140 VAL A CA 1 ATOM 1006 C C . VAL A 1 140 ? 5.353 46.569 -11.426 1.00 18.80 ? 140 VAL A C 1 ATOM 1007 O O . VAL A 1 140 ? 5.830 45.655 -10.731 1.00 20.39 ? 140 VAL A O 1 ATOM 1008 C CB . VAL A 1 140 ? 3.686 45.188 -12.805 1.00 17.25 ? 140 VAL A CB 1 ATOM 1009 C CG1 . VAL A 1 140 ? 2.570 45.564 -13.758 1.00 17.58 ? 140 VAL A CG1 1 ATOM 1010 C CG2 . VAL A 1 140 ? 4.319 43.846 -13.117 1.00 21.13 ? 140 VAL A CG2 1 ATOM 1011 N N . THR A 1 141 ? 5.214 47.843 -11.162 1.00 13.86 ? 141 THR A N 1 ATOM 1012 C CA . THR A 1 141 ? 5.627 48.435 -9.899 1.00 8.44 ? 141 THR A CA 1 ATOM 1013 C C . THR A 1 141 ? 5.242 47.539 -8.740 1.00 6.23 ? 141 THR A C 1 ATOM 1014 O O . THR A 1 141 ? 4.067 47.428 -8.406 1.00 5.46 ? 141 THR A O 1 ATOM 1015 C CB . THR A 1 141 ? 4.933 49.847 -9.703 1.00 8.28 ? 141 THR A CB 1 ATOM 1016 O OG1 . THR A 1 141 ? 4.814 50.512 -11.012 1.00 7.95 ? 141 THR A OG1 1 ATOM 1017 C CG2 . THR A 1 141 ? 5.627 50.696 -8.635 1.00 6.72 ? 141 THR A CG2 1 ATOM 1018 N N . PRO A 1 142 ? 6.236 46.931 -8.128 1.00 5.98 ? 142 PRO A N 1 ATOM 1019 C CA . PRO A 1 142 ? 5.981 46.027 -6.997 1.00 7.07 ? 142 PRO A CA 1 ATOM 1020 C C . PRO A 1 142 ? 5.254 46.803 -5.907 1.00 7.57 ? 142 PRO A C 1 ATOM 1021 O O . PRO A 1 142 ? 5.431 48.006 -5.774 1.00 6.86 ? 142 PRO A O 1 ATOM 1022 C CB . PRO A 1 142 ? 7.331 45.430 -6.693 1.00 5.81 ? 142 PRO A CB 1 ATOM 1023 C CG . PRO A 1 142 ? 8.292 46.445 -7.220 1.00 5.06 ? 142 PRO A CG 1 ATOM 1024 C CD . PRO A 1 142 ? 7.648 47.014 -8.476 1.00 5.96 ? 142 PRO A CD 1 ATOM 1025 N N . ILE A 1 143 ? 4.450 46.067 -5.165 1.00 8.03 ? 143 ILE A N 1 ATOM 1026 C CA . ILE A 1 143 ? 3.651 46.625 -4.060 1.00 8.31 ? 143 ILE A CA 1 ATOM 1027 C C . ILE A 1 143 ? 4.397 47.479 -3.021 1.00 8.85 ? 143 ILE A C 1 ATOM 1028 O O . ILE A 1 143 ? 3.843 48.531 -2.590 1.00 11.15 ? 143 ILE A O 1 ATOM 1029 C CB . ILE A 1 143 ? 2.936 45.377 -3.398 1.00 4.00 ? 143 ILE A CB 1 ATOM 1030 C CG1 . ILE A 1 143 ? 1.808 45.912 -2.515 1.00 5.09 ? 143 ILE A CG1 1 ATOM 1031 C CG2 . ILE A 1 143 ? 4.034 44.523 -2.715 1.00 2.00 ? 143 ILE A CG2 1 ATOM 1032 C CD1 . ILE A 1 143 ? 0.487 45.156 -2.262 1.00 2.32 ? 143 ILE A CD1 1 ATOM 1033 N N . PHE A 1 144 ? 5.581 47.099 -2.591 1.00 5.09 ? 144 PHE A N 1 ATOM 1034 C CA . PHE A 1 144 ? 6.298 47.909 -1.601 1.00 5.62 ? 144 PHE A CA 1 ATOM 1035 C C . PHE A 1 144 ? 6.716 49.288 -2.200 1.00 6.86 ? 144 PHE A C 1 ATOM 1036 O O . PHE A 1 144 ? 6.568 50.234 -1.410 1.00 4.50 ? 144 PHE A O 1 ATOM 1037 C CB . PHE A 1 144 ? 7.479 47.250 -0.919 1.00 2.00 ? 144 PHE A CB 1 ATOM 1038 C CG . PHE A 1 144 ? 7.764 47.814 0.451 1.00 3.49 ? 144 PHE A CG 1 ATOM 1039 C CD1 . PHE A 1 144 ? 6.864 47.681 1.502 1.00 2.00 ? 144 PHE A CD1 1 ATOM 1040 C CD2 . PHE A 1 144 ? 8.990 48.478 0.667 1.00 5.39 ? 144 PHE A CD2 1 ATOM 1041 C CE1 . PHE A 1 144 ? 7.180 48.224 2.748 1.00 3.70 ? 144 PHE A CE1 1 ATOM 1042 C CE2 . PHE A 1 144 ? 9.310 49.017 1.916 1.00 2.76 ? 144 PHE A CE2 1 ATOM 1043 C CZ . PHE A 1 144 ? 8.402 48.889 2.957 1.00 3.15 ? 144 PHE A CZ 1 ATOM 1044 N N . ASP A 1 145 ? 7.162 49.401 -3.431 1.00 7.50 ? 145 ASP A N 1 ATOM 1045 C CA . ASP A 1 145 ? 7.548 50.708 -3.971 1.00 11.76 ? 145 ASP A CA 1 ATOM 1046 C C . ASP A 1 145 ? 6.335 51.664 -3.946 1.00 13.31 ? 145 ASP A C 1 ATOM 1047 O O . ASP A 1 145 ? 6.386 52.867 -3.755 1.00 12.49 ? 145 ASP A O 1 ATOM 1048 C CB . ASP A 1 145 ? 8.170 50.694 -5.364 1.00 14.12 ? 145 ASP A CB 1 ATOM 1049 C CG . ASP A 1 145 ? 9.199 49.611 -5.576 1.00 16.52 ? 145 ASP A CG 1 ATOM 1050 O OD1 . ASP A 1 145 ? 9.437 48.800 -4.670 1.00 19.36 ? 145 ASP A OD1 1 ATOM 1051 O OD2 . ASP A 1 145 ? 9.814 49.522 -6.644 1.00 17.75 ? 145 ASP A OD2 1 ATOM 1052 N N . ASN A 1 146 ? 5.237 51.025 -4.173 1.00 14.30 ? 146 ASN A N 1 ATOM 1053 C CA . ASN A 1 146 ? 3.886 51.517 -4.250 1.00 15.14 ? 146 ASN A CA 1 ATOM 1054 C C . ASN A 1 146 ? 3.395 51.855 -2.868 1.00 16.49 ? 146 ASN A C 1 ATOM 1055 O O . ASN A 1 146 ? 2.885 53.001 -2.787 1.00 18.25 ? 146 ASN A O 1 ATOM 1056 C CB . ASN A 1 146 ? 3.218 50.387 -5.040 1.00 19.25 ? 146 ASN A CB 1 ATOM 1057 C CG . ASN A 1 146 ? 2.182 50.915 -5.999 1.00 17.11 ? 146 ASN A CG 1 ATOM 1058 O OD1 . ASN A 1 146 ? 1.476 51.776 -5.485 1.00 20.23 ? 146 ASN A OD1 1 ATOM 1059 N ND2 . ASN A 1 146 ? 2.130 50.426 -7.219 1.00 18.50 ? 146 ASN A ND2 1 ATOM 1060 N N . ILE A 1 147 ? 3.513 51.009 -1.852 1.00 17.63 ? 147 ILE A N 1 ATOM 1061 C CA . ILE A 1 147 ? 3.006 51.445 -0.529 1.00 18.30 ? 147 ILE A CA 1 ATOM 1062 C C . ILE A 1 147 ? 3.994 52.461 0.057 1.00 19.79 ? 147 ILE A C 1 ATOM 1063 O O . ILE A 1 147 ? 3.551 52.989 1.109 1.00 20.17 ? 147 ILE A O 1 ATOM 1064 C CB . ILE A 1 147 ? 2.493 50.426 0.547 1.00 16.23 ? 147 ILE A CB 1 ATOM 1065 C CG1 . ILE A 1 147 ? 3.595 50.122 1.565 1.00 16.24 ? 147 ILE A CG1 1 ATOM 1066 C CG2 . ILE A 1 147 ? 1.855 49.124 -0.005 1.00 18.18 ? 147 ILE A CG2 1 ATOM 1067 C CD1 . ILE A 1 147 ? 3.908 48.636 1.794 1.00 17.64 ? 147 ILE A CD1 1 ATOM 1068 N N . ILE A 1 148 ? 5.152 52.680 -0.561 1.00 21.18 ? 148 ILE A N 1 ATOM 1069 C CA . ILE A 1 148 ? 6.113 53.670 0.025 1.00 22.44 ? 148 ILE A CA 1 ATOM 1070 C C . ILE A 1 148 ? 5.833 55.052 -0.588 1.00 24.39 ? 148 ILE A C 1 ATOM 1071 O O . ILE A 1 148 ? 6.088 56.138 -0.033 1.00 24.31 ? 148 ILE A O 1 ATOM 1072 C CB . ILE A 1 148 ? 7.644 53.338 0.111 1.00 17.78 ? 148 ILE A CB 1 ATOM 1073 C CG1 . ILE A 1 148 ? 8.466 53.099 -1.152 1.00 16.99 ? 148 ILE A CG1 1 ATOM 1074 C CG2 . ILE A 1 148 ? 7.944 52.083 1.019 1.00 20.35 ? 148 ILE A CG2 1 ATOM 1075 C CD1 . ILE A 1 148 ? 9.866 52.418 -0.908 1.00 13.55 ? 148 ILE A CD1 1 ATOM 1076 N N . SER A 1 149 ? 5.287 54.937 -1.772 1.00 25.59 ? 149 SER A N 1 ATOM 1077 C CA . SER A 1 149 ? 4.883 56.084 -2.576 1.00 27.91 ? 149 SER A CA 1 ATOM 1078 C C . SER A 1 149 ? 3.757 56.812 -1.814 1.00 29.12 ? 149 SER A C 1 ATOM 1079 O O . SER A 1 149 ? 3.707 58.040 -1.899 1.00 29.80 ? 149 SER A O 1 ATOM 1080 C CB . SER A 1 149 ? 4.446 55.589 -3.945 1.00 27.57 ? 149 SER A CB 1 ATOM 1081 O OG . SER A 1 149 ? 5.518 55.679 -4.860 1.00 28.81 ? 149 SER A OG 1 ATOM 1082 N N . GLN A 1 150 ? 2.907 56.091 -1.100 1.00 29.23 ? 150 GLN A N 1 ATOM 1083 C CA . GLN A 1 150 ? 1.787 56.633 -0.347 1.00 29.80 ? 150 GLN A CA 1 ATOM 1084 C C . GLN A 1 150 ? 2.152 57.433 0.899 1.00 28.79 ? 150 GLN A C 1 ATOM 1085 O O . GLN A 1 150 ? 1.247 58.062 1.490 1.00 28.63 ? 150 GLN A O 1 ATOM 1086 C CB . GLN A 1 150 ? 0.745 55.576 0.069 1.00 32.47 ? 150 GLN A CB 1 ATOM 1087 C CG . GLN A 1 150 ? -0.646 55.841 -0.476 1.00 38.26 ? 150 GLN A CG 1 ATOM 1088 C CD . GLN A 1 150 ? -1.340 57.091 0.037 1.00 41.26 ? 150 GLN A CD 1 ATOM 1089 O OE1 . GLN A 1 150 ? -1.230 58.216 -0.478 1.00 43.19 ? 150 GLN A OE1 1 ATOM 1090 N NE2 . GLN A 1 150 ? -2.110 56.907 1.128 1.00 42.21 ? 150 GLN A NE2 1 ATOM 1091 N N . GLY A 1 151 ? 3.416 57.374 1.238 1.00 26.43 ? 151 GLY A N 1 ATOM 1092 C CA . GLY A 1 151 ? 3.992 58.047 2.384 1.00 24.37 ? 151 GLY A CA 1 ATOM 1093 C C . GLY A 1 151 ? 3.371 57.825 3.743 1.00 23.69 ? 151 GLY A C 1 ATOM 1094 O O . GLY A 1 151 ? 3.508 58.741 4.587 1.00 25.84 ? 151 GLY A O 1 ATOM 1095 N N . VAL A 1 152 ? 2.714 56.742 4.056 1.00 20.36 ? 152 VAL A N 1 ATOM 1096 C CA . VAL A 1 152 ? 2.092 56.492 5.341 1.00 17.94 ? 152 VAL A CA 1 ATOM 1097 C C . VAL A 1 152 ? 2.929 55.813 6.427 1.00 18.23 ? 152 VAL A C 1 ATOM 1098 O O . VAL A 1 152 ? 2.581 55.907 7.637 1.00 19.19 ? 152 VAL A O 1 ATOM 1099 C CB . VAL A 1 152 ? 0.880 55.550 5.041 1.00 15.24 ? 152 VAL A CB 1 ATOM 1100 C CG1 . VAL A 1 152 ? -0.300 56.204 4.367 1.00 17.06 ? 152 VAL A CG1 1 ATOM 1101 C CG2 . VAL A 1 152 ? 1.272 54.366 4.197 1.00 13.73 ? 152 VAL A CG2 1 ATOM 1102 N N . LEU A 1 153 ? 3.966 55.124 6.011 1.00 15.66 ? 153 LEU A N 1 ATOM 1103 C CA . LEU A 1 153 ? 4.830 54.367 6.926 1.00 16.20 ? 153 LEU A CA 1 ATOM 1104 C C . LEU A 1 153 ? 5.945 55.136 7.621 1.00 14.86 ? 153 LEU A C 1 ATOM 1105 O O . LEU A 1 153 ? 6.517 56.091 7.063 1.00 14.56 ? 153 LEU A O 1 ATOM 1106 C CB . LEU A 1 153 ? 5.418 53.194 6.109 1.00 18.03 ? 153 LEU A CB 1 ATOM 1107 C CG . LEU A 1 153 ? 4.794 51.854 5.865 1.00 18.76 ? 153 LEU A CG 1 ATOM 1108 C CD1 . LEU A 1 153 ? 3.597 51.851 4.922 1.00 20.98 ? 153 LEU A CD1 1 ATOM 1109 C CD2 . LEU A 1 153 ? 5.848 51.012 5.129 1.00 19.39 ? 153 LEU A CD2 1 ATOM 1110 N N . LYS A 1 154 ? 6.228 54.643 8.813 1.00 13.21 ? 154 LYS A N 1 ATOM 1111 C CA . LYS A 1 154 ? 7.238 55.173 9.706 1.00 13.99 ? 154 LYS A CA 1 ATOM 1112 C C . LYS A 1 154 ? 8.684 55.175 9.242 1.00 13.21 ? 154 LYS A C 1 ATOM 1113 O O . LYS A 1 154 ? 9.498 56.056 9.582 1.00 14.13 ? 154 LYS A O 1 ATOM 1114 C CB . LYS A 1 154 ? 7.156 54.414 11.037 1.00 16.96 ? 154 LYS A CB 1 ATOM 1115 C CG . LYS A 1 154 ? 7.659 55.297 12.193 1.00 19.72 ? 154 LYS A CG 1 ATOM 1116 C CD . LYS A 1 154 ? 8.249 54.416 13.276 1.00 23.45 ? 154 LYS A CD 1 ATOM 1117 C CE . LYS A 1 154 ? 7.466 54.305 14.569 1.00 25.10 ? 154 LYS A CE 1 ATOM 1118 N NZ . LYS A 1 154 ? 8.038 53.209 15.425 1.00 27.39 ? 154 LYS A NZ 1 ATOM 1119 N N . GLU A 1 155 ? 9.044 54.205 8.479 1.00 11.52 ? 155 GLU A N 1 ATOM 1120 C CA . GLU A 1 155 ? 10.324 53.886 7.867 1.00 9.99 ? 155 GLU A CA 1 ATOM 1121 C C . GLU A 1 155 ? 9.988 52.892 6.720 1.00 7.72 ? 155 GLU A C 1 ATOM 1122 O O . GLU A 1 155 ? 9.084 52.052 6.907 1.00 5.11 ? 155 GLU A O 1 ATOM 1123 C CB . GLU A 1 155 ? 11.338 53.133 8.693 1.00 9.77 ? 155 GLU A CB 1 ATOM 1124 C CG . GLU A 1 155 ? 11.540 53.349 10.173 1.00 15.52 ? 155 GLU A CG 1 ATOM 1125 C CD . GLU A 1 155 ? 12.604 52.521 10.868 1.00 19.46 ? 155 GLU A CD 1 ATOM 1126 O OE1 . GLU A 1 155 ? 13.795 52.525 10.416 1.00 17.53 ? 155 GLU A OE1 1 ATOM 1127 O OE2 . GLU A 1 155 ? 12.237 51.862 11.860 1.00 22.55 ? 155 GLU A OE2 1 ATOM 1128 N N . ASP A 1 156 ? 10.718 53.080 5.654 1.00 6.13 ? 156 ASP A N 1 ATOM 1129 C CA . ASP A 1 156 ? 10.578 52.246 4.464 1.00 6.25 ? 156 ASP A CA 1 ATOM 1130 C C . ASP A 1 156 ? 11.447 50.988 4.661 1.00 5.84 ? 156 ASP A C 1 ATOM 1131 O O . ASP A 1 156 ? 12.499 50.761 4.030 1.00 8.11 ? 156 ASP A O 1 ATOM 1132 C CB . ASP A 1 156 ? 10.946 53.020 3.245 1.00 7.47 ? 156 ASP A CB 1 ATOM 1133 C CG . ASP A 1 156 ? 10.364 54.396 3.050 1.00 12.56 ? 156 ASP A CG 1 ATOM 1134 O OD1 . ASP A 1 156 ? 9.209 54.772 3.358 1.00 9.16 ? 156 ASP A OD1 1 ATOM 1135 O OD2 . ASP A 1 156 ? 11.174 55.197 2.501 1.00 19.37 ? 156 ASP A OD2 1 ATOM 1136 N N . VAL A 1 157 ? 11.006 50.173 5.552 1.00 3.19 ? 157 VAL A N 1 ATOM 1137 C CA . VAL A 1 157 ? 11.570 48.917 5.963 1.00 4.06 ? 157 VAL A CA 1 ATOM 1138 C C . VAL A 1 157 ? 10.351 48.004 6.258 1.00 3.84 ? 157 VAL A C 1 ATOM 1139 O O . VAL A 1 157 ? 9.268 48.482 6.524 1.00 4.48 ? 157 VAL A O 1 ATOM 1140 C CB . VAL A 1 157 ? 12.420 48.984 7.245 1.00 2.00 ? 157 VAL A CB 1 ATOM 1141 C CG1 . VAL A 1 157 ? 13.270 50.222 7.479 1.00 2.00 ? 157 VAL A CG1 1 ATOM 1142 C CG2 . VAL A 1 157 ? 11.478 48.797 8.423 1.00 2.00 ? 157 VAL A CG2 1 ATOM 1143 N N . PHE A 1 158 ? 10.583 46.728 6.228 1.00 4.68 ? 158 PHE A N 1 ATOM 1144 C CA . PHE A 1 158 ? 9.623 45.652 6.526 1.00 3.69 ? 158 PHE A CA 1 ATOM 1145 C C . PHE A 1 158 ? 10.558 44.550 7.072 1.00 3.02 ? 158 PHE A C 1 ATOM 1146 O O . PHE A 1 158 ? 11.645 44.317 6.541 1.00 2.00 ? 158 PHE A O 1 ATOM 1147 C CB . PHE A 1 158 ? 8.682 45.350 5.353 1.00 3.90 ? 158 PHE A CB 1 ATOM 1148 C CG . PHE A 1 158 ? 9.368 44.648 4.199 1.00 2.83 ? 158 PHE A CG 1 ATOM 1149 C CD1 . PHE A 1 158 ? 10.006 45.391 3.212 1.00 2.00 ? 158 PHE A CD1 1 ATOM 1150 C CD2 . PHE A 1 158 ? 9.384 43.250 4.148 1.00 2.06 ? 158 PHE A CD2 1 ATOM 1151 C CE1 . PHE A 1 158 ? 10.639 44.785 2.163 1.00 2.00 ? 158 PHE A CE1 1 ATOM 1152 C CE2 . PHE A 1 158 ? 10.034 42.612 3.100 1.00 2.04 ? 158 PHE A CE2 1 ATOM 1153 C CZ . PHE A 1 158 ? 10.641 43.400 2.114 1.00 2.00 ? 158 PHE A CZ 1 ATOM 1154 N N . SER A 1 159 ? 10.130 43.912 8.120 1.00 5.32 ? 159 SER A N 1 ATOM 1155 C CA . SER A 1 159 ? 10.631 42.844 8.937 1.00 6.86 ? 159 SER A CA 1 ATOM 1156 C C . SER A 1 159 ? 9.795 41.555 8.876 1.00 9.76 ? 159 SER A C 1 ATOM 1157 O O . SER A 1 159 ? 8.608 41.554 8.489 1.00 11.61 ? 159 SER A O 1 ATOM 1158 C CB . SER A 1 159 ? 10.566 43.256 10.399 1.00 9.06 ? 159 SER A CB 1 ATOM 1159 O OG . SER A 1 159 ? 11.330 44.438 10.579 1.00 14.45 ? 159 SER A OG 1 ATOM 1160 N N . PHE A 1 160 ? 10.353 40.419 9.254 1.00 8.85 ? 160 PHE A N 1 ATOM 1161 C CA . PHE A 1 160 ? 9.784 39.109 9.285 1.00 7.83 ? 160 PHE A CA 1 ATOM 1162 C C . PHE A 1 160 ? 10.202 38.223 10.465 1.00 9.60 ? 160 PHE A C 1 ATOM 1163 O O . PHE A 1 160 ? 11.392 38.137 10.768 1.00 10.77 ? 160 PHE A O 1 ATOM 1164 C CB . PHE A 1 160 ? 10.287 38.225 8.128 1.00 2.42 ? 160 PHE A CB 1 ATOM 1165 C CG . PHE A 1 160 ? 9.669 38.404 6.781 1.00 2.00 ? 160 PHE A CG 1 ATOM 1166 C CD1 . PHE A 1 160 ? 9.888 39.580 6.076 1.00 2.00 ? 160 PHE A CD1 1 ATOM 1167 C CD2 . PHE A 1 160 ? 8.875 37.404 6.209 1.00 2.00 ? 160 PHE A CD2 1 ATOM 1168 C CE1 . PHE A 1 160 ? 9.377 39.812 4.818 1.00 2.00 ? 160 PHE A CE1 1 ATOM 1169 C CE2 . PHE A 1 160 ? 8.350 37.611 4.939 1.00 2.00 ? 160 PHE A CE2 1 ATOM 1170 C CZ . PHE A 1 160 ? 8.608 38.807 4.259 1.00 2.00 ? 160 PHE A CZ 1 ATOM 1171 N N . TYR A 1 161 ? 9.200 37.566 11.027 1.00 9.48 ? 161 TYR A N 1 ATOM 1172 C CA . TYR A 1 161 ? 9.429 36.651 12.150 1.00 9.47 ? 161 TYR A CA 1 ATOM 1173 C C . TYR A 1 161 ? 8.889 35.314 11.641 1.00 12.95 ? 161 TYR A C 1 ATOM 1174 O O . TYR A 1 161 ? 7.693 35.232 11.244 1.00 11.61 ? 161 TYR A O 1 ATOM 1175 C CB . TYR A 1 161 ? 8.855 37.182 13.446 1.00 6.94 ? 161 TYR A CB 1 ATOM 1176 C CG . TYR A 1 161 ? 8.734 36.170 14.547 1.00 9.22 ? 161 TYR A CG 1 ATOM 1177 C CD1 . TYR A 1 161 ? 9.864 35.594 15.139 1.00 9.13 ? 161 TYR A CD1 1 ATOM 1178 C CD2 . TYR A 1 161 ? 7.495 35.762 15.017 1.00 8.43 ? 161 TYR A CD2 1 ATOM 1179 C CE1 . TYR A 1 161 ? 9.768 34.653 16.137 1.00 6.15 ? 161 TYR A CE1 1 ATOM 1180 C CE2 . TYR A 1 161 ? 7.364 34.822 16.024 1.00 8.48 ? 161 TYR A CE2 1 ATOM 1181 C CZ . TYR A 1 161 ? 8.518 34.269 16.584 1.00 7.45 ? 161 TYR A CZ 1 ATOM 1182 O OH . TYR A 1 161 ? 8.336 33.339 17.573 1.00 4.85 ? 161 TYR A OH 1 ATOM 1183 N N . TYR A 1 162 ? 9.809 34.334 11.652 1.00 13.88 ? 162 TYR A N 1 ATOM 1184 C CA . TYR A 1 162 ? 9.322 32.998 11.175 1.00 17.51 ? 162 TYR A CA 1 ATOM 1185 C C . TYR A 1 162 ? 9.326 32.211 12.489 1.00 20.63 ? 162 TYR A C 1 ATOM 1186 O O . TYR A 1 162 ? 10.387 32.276 13.149 1.00 21.24 ? 162 TYR A O 1 ATOM 1187 C CB . TYR A 1 162 ? 10.100 32.449 10.006 1.00 15.65 ? 162 TYR A CB 1 ATOM 1188 C CG . TYR A 1 162 ? 9.632 32.832 8.620 1.00 12.29 ? 162 TYR A CG 1 ATOM 1189 C CD1 . TYR A 1 162 ? 8.549 33.652 8.403 1.00 12.08 ? 162 TYR A CD1 1 ATOM 1190 C CD2 . TYR A 1 162 ? 10.314 32.355 7.503 1.00 14.22 ? 162 TYR A CD2 1 ATOM 1191 C CE1 . TYR A 1 162 ? 8.112 34.004 7.135 1.00 11.30 ? 162 TYR A CE1 1 ATOM 1192 C CE2 . TYR A 1 162 ? 9.902 32.686 6.207 1.00 13.93 ? 162 TYR A CE2 1 ATOM 1193 C CZ . TYR A 1 162 ? 8.789 33.514 6.035 1.00 9.96 ? 162 TYR A CZ 1 ATOM 1194 O OH . TYR A 1 162 ? 8.406 33.821 4.778 1.00 9.11 ? 162 TYR A OH 1 ATOM 1195 N N . ASN A 1 163 ? 8.217 31.571 12.815 1.00 23.25 ? 163 ASN A N 1 ATOM 1196 C CA . ASN A 1 163 ? 8.214 30.824 14.099 1.00 25.30 ? 163 ASN A CA 1 ATOM 1197 C C . ASN A 1 163 ? 8.386 29.319 13.851 1.00 25.62 ? 163 ASN A C 1 ATOM 1198 O O . ASN A 1 163 ? 8.080 28.764 12.801 1.00 22.81 ? 163 ASN A O 1 ATOM 1199 C CB . ASN A 1 163 ? 6.988 31.073 14.983 1.00 27.12 ? 163 ASN A CB 1 ATOM 1200 C CG . ASN A 1 163 ? 7.054 30.754 16.472 1.00 28.85 ? 163 ASN A CG 1 ATOM 1201 O OD1 . ASN A 1 163 ? 7.969 30.139 17.052 1.00 27.81 ? 163 ASN A OD1 1 ATOM 1202 N ND2 . ASN A 1 163 ? 6.030 31.186 17.237 1.00 27.54 ? 163 ASN A ND2 1 ATOM 1203 N N . ARG A 1 164 ? 8.872 28.748 14.934 1.00 28.19 ? 164 ARG A N 1 ATOM 1204 C CA . ARG A 1 164 ? 9.142 27.336 15.058 1.00 32.37 ? 164 ARG A CA 1 ATOM 1205 C C . ARG A 1 164 ? 7.900 26.497 15.305 1.00 36.24 ? 164 ARG A C 1 ATOM 1206 O O . ARG A 1 164 ? 7.146 26.648 16.263 1.00 35.64 ? 164 ARG A O 1 ATOM 1207 C CB . ARG A 1 164 ? 10.106 27.062 16.230 1.00 33.61 ? 164 ARG A CB 1 ATOM 1208 C CG . ARG A 1 164 ? 11.565 26.833 15.813 1.00 34.27 ? 164 ARG A CG 1 ATOM 1209 C CD . ARG A 1 164 ? 12.489 27.357 16.861 1.00 35.12 ? 164 ARG A CD 1 ATOM 1210 N NE . ARG A 1 164 ? 13.792 27.774 16.383 1.00 34.06 ? 164 ARG A NE 1 ATOM 1211 C CZ . ARG A 1 164 ? 14.855 27.027 16.099 1.00 34.07 ? 164 ARG A CZ 1 ATOM 1212 N NH1 . ARG A 1 164 ? 14.860 25.697 16.151 1.00 34.75 ? 164 ARG A NH1 1 ATOM 1213 N NH2 . ARG A 1 164 ? 15.998 27.642 15.748 1.00 33.56 ? 164 ARG A NH2 1 ATOM 1214 N N . ASP A 1 165 ? 7.708 25.570 14.389 1.00 41.40 ? 165 ASP A N 1 ATOM 1215 C CA . ASP A 1 165 ? 6.600 24.608 14.440 1.00 45.56 ? 165 ASP A CA 1 ATOM 1216 C C . ASP A 1 165 ? 7.288 23.461 15.225 1.00 49.27 ? 165 ASP A C 1 ATOM 1217 O O . ASP A 1 165 ? 7.928 22.553 14.669 1.00 50.41 ? 165 ASP A O 1 ATOM 1218 C CB . ASP A 1 165 ? 6.075 24.128 13.125 1.00 46.55 ? 165 ASP A CB 1 ATOM 1219 C CG . ASP A 1 165 ? 5.045 23.017 13.206 1.00 47.63 ? 165 ASP A CG 1 ATOM 1220 O OD1 . ASP A 1 165 ? 3.982 23.321 13.950 1.00 48.93 ? 165 ASP A OD1 1 ATOM 1221 O OD2 . ASP A 1 165 ? 5.201 21.929 12.621 1.00 47.64 ? 165 ASP A OD2 1 ATOM 1222 N N . SER A 1 171 ? 3.385 31.136 20.041 1.00 52.74 ? 171 SER A N 1 ATOM 1223 C CA . SER A 1 171 ? 2.153 30.680 19.367 1.00 50.00 ? 171 SER A CA 1 ATOM 1224 C C . SER A 1 171 ? 1.563 31.641 18.355 1.00 48.23 ? 171 SER A C 1 ATOM 1225 O O . SER A 1 171 ? 0.641 32.396 18.751 1.00 49.66 ? 171 SER A O 1 ATOM 1226 C CB . SER A 1 171 ? 1.060 30.314 20.382 1.00 49.87 ? 171 SER A CB 1 ATOM 1227 O OG . SER A 1 171 ? -0.105 29.795 19.737 1.00 49.60 ? 171 SER A OG 1 ATOM 1228 N N . LEU A 1 172 ? 2.072 31.567 17.132 1.00 43.96 ? 172 LEU A N 1 ATOM 1229 C CA . LEU A 1 172 ? 1.539 32.490 16.109 1.00 38.84 ? 172 LEU A CA 1 ATOM 1230 C C . LEU A 1 172 ? 1.670 31.914 14.703 1.00 36.07 ? 172 LEU A C 1 ATOM 1231 O O . LEU A 1 172 ? 0.760 31.928 13.861 1.00 35.60 ? 172 LEU A O 1 ATOM 1232 C CB . LEU A 1 172 ? 2.488 33.657 16.237 1.00 36.77 ? 172 LEU A CB 1 ATOM 1233 C CG . LEU A 1 172 ? 2.547 35.057 16.714 1.00 35.07 ? 172 LEU A CG 1 ATOM 1234 C CD1 . LEU A 1 172 ? 4.001 35.522 16.535 1.00 33.75 ? 172 LEU A CD1 1 ATOM 1235 C CD2 . LEU A 1 172 ? 1.689 36.001 15.888 1.00 33.87 ? 172 LEU A CD2 1 ATOM 1236 N N . GLY A 1 173 ? 2.907 31.448 14.567 1.00 32.10 ? 173 GLY A N 1 ATOM 1237 C CA . GLY A 1 173 ? 3.362 30.839 13.310 1.00 27.68 ? 173 GLY A CA 1 ATOM 1238 C C . GLY A 1 173 ? 4.435 31.760 12.696 1.00 22.60 ? 173 GLY A C 1 ATOM 1239 O O . GLY A 1 173 ? 5.534 31.325 12.287 1.00 24.49 ? 173 GLY A O 1 ATOM 1240 N N . GLY A 1 174 ? 4.161 33.025 12.609 1.00 17.86 ? 174 GLY A N 1 ATOM 1241 C CA . GLY A 1 174 ? 5.087 34.006 12.033 1.00 13.91 ? 174 GLY A CA 1 ATOM 1242 C C . GLY A 1 174 ? 4.481 35.385 11.986 1.00 12.57 ? 174 GLY A C 1 ATOM 1243 O O . GLY A 1 174 ? 3.324 35.601 12.400 1.00 12.32 ? 174 GLY A O 1 ATOM 1244 N N . GLN A 1 175 ? 5.275 36.315 11.478 1.00 12.08 ? 175 GLN A N 1 ATOM 1245 C CA . GLN A 1 175 ? 4.830 37.709 11.376 1.00 10.43 ? 175 GLN A CA 1 ATOM 1246 C C . GLN A 1 175 ? 5.646 38.713 10.615 1.00 9.03 ? 175 GLN A C 1 ATOM 1247 O O . GLN A 1 175 ? 6.840 38.855 10.871 1.00 12.78 ? 175 GLN A O 1 ATOM 1248 C CB . GLN A 1 175 ? 4.741 38.221 12.839 1.00 13.86 ? 175 GLN A CB 1 ATOM 1249 C CG . GLN A 1 175 ? 4.087 39.596 12.945 1.00 16.24 ? 175 GLN A CG 1 ATOM 1250 C CD . GLN A 1 175 ? 4.707 40.347 14.105 1.00 16.57 ? 175 GLN A CD 1 ATOM 1251 O OE1 . GLN A 1 175 ? 4.026 40.796 15.016 1.00 18.72 ? 175 GLN A OE1 1 ATOM 1252 N NE2 . GLN A 1 175 ? 6.012 40.466 14.035 1.00 15.63 ? 175 GLN A NE2 1 ATOM 1253 N N . ILE A 1 176 ? 5.069 39.452 9.708 1.00 7.44 ? 176 ILE A N 1 ATOM 1254 C CA . ILE A 1 176 ? 5.587 40.495 8.863 1.00 3.58 ? 176 ILE A CA 1 ATOM 1255 C C . ILE A 1 176 ? 5.068 41.792 9.434 1.00 3.44 ? 176 ILE A C 1 ATOM 1256 O O . ILE A 1 176 ? 3.879 42.006 9.770 1.00 5.40 ? 176 ILE A O 1 ATOM 1257 C CB . ILE A 1 176 ? 5.192 40.369 7.362 1.00 2.56 ? 176 ILE A CB 1 ATOM 1258 C CG1 . ILE A 1 176 ? 5.490 41.730 6.658 1.00 2.00 ? 176 ILE A CG1 1 ATOM 1259 C CG2 . ILE A 1 176 ? 3.718 40.028 7.015 1.00 4.78 ? 176 ILE A CG2 1 ATOM 1260 C CD1 . ILE A 1 176 ? 6.104 41.408 5.256 1.00 5.63 ? 176 ILE A CD1 1 ATOM 1261 N N . VAL A 1 177 ? 5.946 42.709 9.553 1.00 4.49 ? 177 VAL A N 1 ATOM 1262 C CA . VAL A 1 177 ? 5.638 44.055 10.079 1.00 4.76 ? 177 VAL A CA 1 ATOM 1263 C C . VAL A 1 177 ? 6.176 44.929 8.944 1.00 5.66 ? 177 VAL A C 1 ATOM 1264 O O . VAL A 1 177 ? 7.317 44.673 8.564 1.00 4.66 ? 177 VAL A O 1 ATOM 1265 C CB . VAL A 1 177 ? 6.265 44.396 11.424 1.00 4.66 ? 177 VAL A CB 1 ATOM 1266 C CG1 . VAL A 1 177 ? 6.649 45.914 11.445 1.00 6.57 ? 177 VAL A CG1 1 ATOM 1267 C CG2 . VAL A 1 177 ? 5.471 43.981 12.646 1.00 2.84 ? 177 VAL A CG2 1 ATOM 1268 N N . LEU A 1 178 ? 5.346 45.851 8.534 1.00 7.14 ? 178 LEU A N 1 ATOM 1269 C CA . LEU A 1 178 ? 5.697 46.794 7.458 1.00 7.05 ? 178 LEU A CA 1 ATOM 1270 C C . LEU A 1 178 ? 5.895 48.143 8.133 1.00 8.24 ? 178 LEU A C 1 ATOM 1271 O O . LEU A 1 178 ? 5.036 48.432 8.986 1.00 8.62 ? 178 LEU A O 1 ATOM 1272 C CB . LEU A 1 178 ? 4.550 46.731 6.478 1.00 7.60 ? 178 LEU A CB 1 ATOM 1273 C CG . LEU A 1 178 ? 4.270 45.629 5.495 1.00 2.38 ? 178 LEU A CG 1 ATOM 1274 C CD1 . LEU A 1 178 ? 2.791 45.353 5.492 1.00 5.02 ? 178 LEU A CD1 1 ATOM 1275 C CD2 . LEU A 1 178 ? 4.542 46.194 4.110 1.00 2.85 ? 178 LEU A CD2 1 ATOM 1276 N N . GLY A 1 179 ? 6.954 48.887 7.798 1.00 6.93 ? 179 GLY A N 1 ATOM 1277 C CA . GLY A 1 179 ? 7.130 50.170 8.458 1.00 6.34 ? 179 GLY A CA 1 ATOM 1278 C C . GLY A 1 179 ? 7.993 50.136 9.713 1.00 6.47 ? 179 GLY A C 1 ATOM 1279 O O . GLY A 1 179 ? 8.432 51.268 10.085 1.00 6.42 ? 179 GLY A O 1 ATOM 1280 N N . GLY A 1 180 ? 8.231 48.986 10.284 1.00 5.52 ? 180 GLY A N 1 ATOM 1281 C CA . GLY A 1 180 ? 9.098 48.903 11.500 1.00 6.54 ? 180 GLY A CA 1 ATOM 1282 C C . GLY A 1 180 ? 9.619 47.505 11.806 1.00 6.44 ? 180 GLY A C 1 ATOM 1283 O O . GLY A 1 180 ? 9.896 46.699 10.879 1.00 6.05 ? 180 GLY A O 1 ATOM 1284 N N . SER A 1 181 ? 9.763 47.206 13.091 1.00 7.68 ? 181 SER A N 1 ATOM 1285 C CA . SER A 1 181 ? 10.220 45.897 13.603 1.00 11.32 ? 181 SER A CA 1 ATOM 1286 C C . SER A 1 181 ? 9.482 45.677 14.948 1.00 12.35 ? 181 SER A C 1 ATOM 1287 O O . SER A 1 181 ? 9.161 46.719 15.505 1.00 13.49 ? 181 SER A O 1 ATOM 1288 C CB . SER A 1 181 ? 11.667 45.556 13.881 1.00 10.37 ? 181 SER A CB 1 ATOM 1289 O OG . SER A 1 181 ? 12.428 45.767 12.725 1.00 15.14 ? 181 SER A OG 1 ATOM 1290 N N . ASP A 1 182 ? 9.286 44.436 15.338 1.00 13.26 ? 182 ASP A N 1 ATOM 1291 C CA . ASP A 1 182 ? 8.577 44.090 16.579 1.00 13.44 ? 182 ASP A CA 1 ATOM 1292 C C . ASP A 1 182 ? 9.582 43.546 17.601 1.00 13.88 ? 182 ASP A C 1 ATOM 1293 O O . ASP A 1 182 ? 10.082 42.434 17.502 1.00 13.45 ? 182 ASP A O 1 ATOM 1294 C CB . ASP A 1 182 ? 7.387 43.183 16.262 1.00 10.87 ? 182 ASP A CB 1 ATOM 1295 C CG . ASP A 1 182 ? 6.559 42.839 17.486 1.00 13.23 ? 182 ASP A CG 1 ATOM 1296 O OD1 . ASP A 1 182 ? 6.984 43.412 18.502 1.00 12.44 ? 182 ASP A OD1 1 ATOM 1297 O OD2 . ASP A 1 182 ? 5.563 42.092 17.589 1.00 12.94 ? 182 ASP A OD2 1 ATOM 1298 N N . PRO A 1 183 ? 9.845 44.389 18.575 1.00 15.54 ? 183 PRO A N 1 ATOM 1299 C CA . PRO A 1 183 ? 10.773 44.116 19.674 1.00 15.43 ? 183 PRO A CA 1 ATOM 1300 C C . PRO A 1 183 ? 10.344 42.903 20.463 1.00 14.74 ? 183 PRO A C 1 ATOM 1301 O O . PRO A 1 183 ? 11.326 42.285 20.913 1.00 14.56 ? 183 PRO A O 1 ATOM 1302 C CB . PRO A 1 183 ? 10.799 45.391 20.520 1.00 15.00 ? 183 PRO A CB 1 ATOM 1303 C CG . PRO A 1 183 ? 9.346 45.802 20.322 1.00 15.51 ? 183 PRO A CG 1 ATOM 1304 C CD . PRO A 1 183 ? 9.262 45.756 18.781 1.00 14.99 ? 183 PRO A CD 1 ATOM 1305 N N . GLN A 1 184 ? 9.065 42.588 20.618 1.00 14.44 ? 184 GLN A N 1 ATOM 1306 C CA . GLN A 1 184 ? 8.894 41.356 21.434 1.00 15.72 ? 184 GLN A CA 1 ATOM 1307 C C . GLN A 1 184 ? 9.404 40.101 20.721 1.00 13.80 ? 184 GLN A C 1 ATOM 1308 O O . GLN A 1 184 ? 9.413 39.101 21.477 1.00 13.62 ? 184 GLN A O 1 ATOM 1309 C CB . GLN A 1 184 ? 7.505 41.082 21.961 1.00 17.15 ? 184 GLN A CB 1 ATOM 1310 C CG . GLN A 1 184 ? 6.494 40.594 20.932 1.00 18.09 ? 184 GLN A CG 1 ATOM 1311 C CD . GLN A 1 184 ? 5.128 40.894 21.576 1.00 17.73 ? 184 GLN A CD 1 ATOM 1312 O OE1 . GLN A 1 184 ? 4.819 42.091 21.601 1.00 18.84 ? 184 GLN A OE1 1 ATOM 1313 N NE2 . GLN A 1 184 ? 4.497 39.812 22.014 1.00 15.71 ? 184 GLN A NE2 1 ATOM 1314 N N . HIS A 1 185 ? 9.745 40.241 19.440 1.00 11.58 ? 185 HIS A N 1 ATOM 1315 C CA . HIS A 1 185 ? 10.194 39.057 18.710 1.00 11.29 ? 185 HIS A CA 1 ATOM 1316 C C . HIS A 1 185 ? 11.631 38.919 18.216 1.00 11.01 ? 185 HIS A C 1 ATOM 1317 O O . HIS A 1 185 ? 11.950 38.048 17.375 1.00 7.30 ? 185 HIS A O 1 ATOM 1318 C CB . HIS A 1 185 ? 9.324 38.847 17.452 1.00 12.64 ? 185 HIS A CB 1 ATOM 1319 C CG . HIS A 1 185 ? 7.958 38.327 17.751 1.00 12.46 ? 185 HIS A CG 1 ATOM 1320 N ND1 . HIS A 1 185 ? 7.650 37.283 18.556 1.00 12.76 ? 185 HIS A ND1 1 ATOM 1321 C CD2 . HIS A 1 185 ? 6.777 38.821 17.254 1.00 12.67 ? 185 HIS A CD2 1 ATOM 1322 C CE1 . HIS A 1 185 ? 6.310 37.141 18.538 1.00 12.90 ? 185 HIS A CE1 1 ATOM 1323 N NE2 . HIS A 1 185 ? 5.764 38.066 17.759 1.00 13.19 ? 185 HIS A NE2 1 ATOM 1324 N N . TYR A 1 186 ? 12.457 39.786 18.738 1.00 11.65 ? 186 TYR A N 1 ATOM 1325 C CA . TYR A 1 186 ? 13.896 39.787 18.399 1.00 14.08 ? 186 TYR A CA 1 ATOM 1326 C C . TYR A 1 186 ? 14.499 40.230 19.739 1.00 13.34 ? 186 TYR A C 1 ATOM 1327 O O . TYR A 1 186 ? 13.784 40.765 20.597 1.00 12.72 ? 186 TYR A O 1 ATOM 1328 C CB . TYR A 1 186 ? 14.342 40.656 17.241 1.00 14.36 ? 186 TYR A CB 1 ATOM 1329 C CG . TYR A 1 186 ? 14.272 42.153 17.428 1.00 13.68 ? 186 TYR A CG 1 ATOM 1330 C CD1 . TYR A 1 186 ? 15.329 42.812 18.057 1.00 13.66 ? 186 TYR A CD1 1 ATOM 1331 C CD2 . TYR A 1 186 ? 13.177 42.910 17.007 1.00 12.21 ? 186 TYR A CD2 1 ATOM 1332 C CE1 . TYR A 1 186 ? 15.285 44.199 18.241 1.00 13.55 ? 186 TYR A CE1 1 ATOM 1333 C CE2 . TYR A 1 186 ? 13.108 44.283 17.169 1.00 11.51 ? 186 TYR A CE2 1 ATOM 1334 C CZ . TYR A 1 186 ? 14.175 44.922 17.792 1.00 14.05 ? 186 TYR A CZ 1 ATOM 1335 O OH . TYR A 1 186 ? 14.215 46.288 18.002 1.00 15.51 ? 186 TYR A OH 1 ATOM 1336 N N . GLU A 1 187 ? 15.761 39.984 19.828 1.00 13.99 ? 187 GLU A N 1 ATOM 1337 C CA . GLU A 1 187 ? 16.531 40.315 21.019 1.00 14.22 ? 187 GLU A CA 1 ATOM 1338 C C . GLU A 1 187 ? 17.945 40.691 20.609 1.00 13.59 ? 187 GLU A C 1 ATOM 1339 O O . GLU A 1 187 ? 18.524 40.108 19.695 1.00 10.66 ? 187 GLU A O 1 ATOM 1340 C CB . GLU A 1 187 ? 16.519 39.169 21.978 1.00 19.30 ? 187 GLU A CB 1 ATOM 1341 C CG . GLU A 1 187 ? 17.818 38.410 22.207 1.00 28.42 ? 187 GLU A CG 1 ATOM 1342 C CD . GLU A 1 187 ? 17.600 37.307 23.211 1.00 32.58 ? 187 GLU A CD 1 ATOM 1343 O OE1 . GLU A 1 187 ? 16.489 36.808 23.302 1.00 35.25 ? 187 GLU A OE1 1 ATOM 1344 O OE2 . GLU A 1 187 ? 18.645 37.045 23.847 1.00 36.06 ? 187 GLU A OE2 1 ATOM 1345 N N . GLY A 1 188 ? 18.416 41.678 21.348 1.00 13.61 ? 188 GLY A N 1 ATOM 1346 C CA . GLY A 1 188 ? 19.785 42.124 21.041 1.00 15.57 ? 188 GLY A CA 1 ATOM 1347 C C . GLY A 1 188 ? 19.679 43.244 20.029 1.00 15.18 ? 188 GLY A C 1 ATOM 1348 O O . GLY A 1 188 ? 18.678 43.967 20.093 1.00 16.21 ? 188 GLY A O 1 ATOM 1349 N N . ASN A 1 189 ? 20.689 43.337 19.184 1.00 14.97 ? 189 ASN A N 1 ATOM 1350 C CA . ASN A 1 189 ? 20.625 44.442 18.209 1.00 14.57 ? 189 ASN A CA 1 ATOM 1351 C C . ASN A 1 189 ? 20.949 43.992 16.811 1.00 13.90 ? 189 ASN A C 1 ATOM 1352 O O . ASN A 1 189 ? 21.681 43.000 16.663 1.00 16.03 ? 189 ASN A O 1 ATOM 1353 C CB . ASN A 1 189 ? 21.589 45.535 18.657 1.00 17.07 ? 189 ASN A CB 1 ATOM 1354 C CG . ASN A 1 189 ? 21.001 46.411 19.751 1.00 20.77 ? 189 ASN A CG 1 ATOM 1355 O OD1 . ASN A 1 189 ? 19.915 47.015 19.673 1.00 22.07 ? 189 ASN A OD1 1 ATOM 1356 N ND2 . ASN A 1 189 ? 21.794 46.467 20.831 1.00 23.56 ? 189 ASN A ND2 1 ATOM 1357 N N . PHE A 1 190 ? 20.375 44.769 15.916 1.00 10.47 ? 190 PHE A N 1 ATOM 1358 C CA . PHE A 1 190 ? 20.573 44.510 14.504 1.00 9.10 ? 190 PHE A CA 1 ATOM 1359 C C . PHE A 1 190 ? 22.005 44.849 14.072 1.00 8.56 ? 190 PHE A C 1 ATOM 1360 O O . PHE A 1 190 ? 22.592 45.775 14.640 1.00 7.84 ? 190 PHE A O 1 ATOM 1361 C CB . PHE A 1 190 ? 19.644 45.441 13.728 1.00 9.39 ? 190 PHE A CB 1 ATOM 1362 C CG . PHE A 1 190 ? 18.257 44.888 13.662 1.00 7.41 ? 190 PHE A CG 1 ATOM 1363 C CD1 . PHE A 1 190 ? 17.990 43.802 12.848 1.00 7.82 ? 190 PHE A CD1 1 ATOM 1364 C CD2 . PHE A 1 190 ? 17.263 45.457 14.439 1.00 6.78 ? 190 PHE A CD2 1 ATOM 1365 C CE1 . PHE A 1 190 ? 16.692 43.286 12.799 1.00 10.51 ? 190 PHE A CE1 1 ATOM 1366 C CE2 . PHE A 1 190 ? 15.977 44.951 14.395 1.00 6.48 ? 190 PHE A CE2 1 ATOM 1367 C CZ . PHE A 1 190 ? 15.679 43.867 13.586 1.00 8.65 ? 190 PHE A CZ 1 ATOM 1368 N N . HIS A 1 191 ? 22.456 44.108 13.099 1.00 7.44 ? 191 HIS A N 1 ATOM 1369 C CA . HIS A 1 191 ? 23.803 44.357 12.536 1.00 9.54 ? 191 HIS A CA 1 ATOM 1370 C C . HIS A 1 191 ? 23.329 44.352 11.061 1.00 7.90 ? 191 HIS A C 1 ATOM 1371 O O . HIS A 1 191 ? 22.680 43.318 10.807 1.00 5.90 ? 191 HIS A O 1 ATOM 1372 C CB . HIS A 1 191 ? 24.986 43.418 12.762 1.00 13.10 ? 191 HIS A CB 1 ATOM 1373 C CG . HIS A 1 191 ? 26.180 43.678 11.885 1.00 18.29 ? 191 HIS A CG 1 ATOM 1374 N ND1 . HIS A 1 191 ? 27.037 44.773 12.002 1.00 20.64 ? 191 HIS A ND1 1 ATOM 1375 C CD2 . HIS A 1 191 ? 26.669 42.922 10.863 1.00 18.10 ? 191 HIS A CD2 1 ATOM 1376 C CE1 . HIS A 1 191 ? 27.990 44.698 11.098 1.00 19.60 ? 191 HIS A CE1 1 ATOM 1377 N NE2 . HIS A 1 191 ? 27.772 43.588 10.402 1.00 21.27 ? 191 HIS A NE2 1 ATOM 1378 N N . TYR A 1 192 ? 23.625 45.380 10.309 1.00 7.06 ? 192 TYR A N 1 ATOM 1379 C CA . TYR A 1 192 ? 23.220 45.454 8.926 1.00 9.61 ? 192 TYR A CA 1 ATOM 1380 C C . TYR A 1 192 ? 24.397 45.138 7.990 1.00 12.45 ? 192 TYR A C 1 ATOM 1381 O O . TYR A 1 192 ? 25.561 45.461 8.282 1.00 11.76 ? 192 TYR A O 1 ATOM 1382 C CB . TYR A 1 192 ? 22.624 46.834 8.478 1.00 7.77 ? 192 TYR A CB 1 ATOM 1383 C CG . TYR A 1 192 ? 21.437 47.139 9.379 1.00 8.84 ? 192 TYR A CG 1 ATOM 1384 C CD1 . TYR A 1 192 ? 21.666 47.521 10.722 1.00 9.20 ? 192 TYR A CD1 1 ATOM 1385 C CD2 . TYR A 1 192 ? 20.131 47.019 8.963 1.00 7.49 ? 192 TYR A CD2 1 ATOM 1386 C CE1 . TYR A 1 192 ? 20.610 47.780 11.569 1.00 5.81 ? 192 TYR A CE1 1 ATOM 1387 C CE2 . TYR A 1 192 ? 19.054 47.275 9.810 1.00 6.34 ? 192 TYR A CE2 1 ATOM 1388 C CZ . TYR A 1 192 ? 19.315 47.659 11.101 1.00 6.60 ? 192 TYR A CZ 1 ATOM 1389 O OH . TYR A 1 192 ? 18.261 47.926 11.924 1.00 9.72 ? 192 TYR A OH 1 ATOM 1390 N N . ILE A 1 193 ? 24.014 44.509 6.892 1.00 13.70 ? 193 ILE A N 1 ATOM 1391 C CA . ILE A 1 193 ? 24.889 44.096 5.801 1.00 15.27 ? 193 ILE A CA 1 ATOM 1392 C C . ILE A 1 193 ? 24.228 44.808 4.593 1.00 18.12 ? 193 ILE A C 1 ATOM 1393 O O . ILE A 1 193 ? 22.968 44.800 4.546 1.00 17.64 ? 193 ILE A O 1 ATOM 1394 C CB . ILE A 1 193 ? 25.034 42.575 5.594 1.00 16.16 ? 193 ILE A CB 1 ATOM 1395 C CG1 . ILE A 1 193 ? 25.529 41.794 6.825 1.00 15.58 ? 193 ILE A CG1 1 ATOM 1396 C CG2 . ILE A 1 193 ? 25.979 42.211 4.401 1.00 17.50 ? 193 ILE A CG2 1 ATOM 1397 C CD1 . ILE A 1 193 ? 24.950 42.226 8.198 1.00 18.28 ? 193 ILE A CD1 1 ATOM 1398 N N . ASN A 1 194 ? 25.030 45.380 3.712 1.00 17.58 ? 194 ASN A N 1 ATOM 1399 C CA . ASN A 1 194 ? 24.523 46.088 2.550 1.00 18.55 ? 194 ASN A CA 1 ATOM 1400 C C . ASN A 1 194 ? 24.290 45.275 1.281 1.00 19.42 ? 194 ASN A C 1 ATOM 1401 O O . ASN A 1 194 ? 25.082 44.363 1.017 1.00 20.91 ? 194 ASN A O 1 ATOM 1402 C CB . ASN A 1 194 ? 25.533 47.174 2.170 1.00 20.48 ? 194 ASN A CB 1 ATOM 1403 C CG . ASN A 1 194 ? 25.199 48.523 2.756 1.00 19.84 ? 194 ASN A CG 1 ATOM 1404 O OD1 . ASN A 1 194 ? 25.825 48.841 3.758 1.00 20.59 ? 194 ASN A OD1 1 ATOM 1405 N ND2 . ASN A 1 194 ? 24.266 49.243 2.157 1.00 21.51 ? 194 ASN A ND2 1 ATOM 1406 N N . LEU A 1 195 ? 23.253 45.655 0.543 1.00 17.92 ? 195 LEU A N 1 ATOM 1407 C CA . LEU A 1 195 ? 22.942 44.934 -0.708 1.00 16.79 ? 195 LEU A CA 1 ATOM 1408 C C . LEU A 1 195 ? 24.185 45.095 -1.568 1.00 18.57 ? 195 LEU A C 1 ATOM 1409 O O . LEU A 1 195 ? 24.707 46.205 -1.568 1.00 18.60 ? 195 LEU A O 1 ATOM 1410 C CB . LEU A 1 195 ? 21.667 45.504 -1.267 1.00 13.77 ? 195 LEU A CB 1 ATOM 1411 C CG . LEU A 1 195 ? 20.301 44.870 -1.310 1.00 9.51 ? 195 LEU A CG 1 ATOM 1412 C CD1 . LEU A 1 195 ? 20.117 43.782 -0.280 1.00 7.26 ? 195 LEU A CD1 1 ATOM 1413 C CD2 . LEU A 1 195 ? 19.287 46.000 -1.082 1.00 8.07 ? 195 LEU A CD2 1 ATOM 1414 N N . ILE A 1 196 ? 24.598 44.043 -2.232 1.00 21.04 ? 196 ILE A N 1 ATOM 1415 C CA . ILE A 1 196 ? 25.756 43.983 -3.117 1.00 21.56 ? 196 ILE A CA 1 ATOM 1416 C C . ILE A 1 196 ? 25.429 44.755 -4.390 1.00 22.07 ? 196 ILE A C 1 ATOM 1417 O O . ILE A 1 196 ? 26.365 45.310 -4.956 1.00 23.97 ? 196 ILE A O 1 ATOM 1418 C CB . ILE A 1 196 ? 26.298 42.542 -3.418 1.00 21.70 ? 196 ILE A CB 1 ATOM 1419 C CG1 . ILE A 1 196 ? 27.810 42.623 -3.714 1.00 21.19 ? 196 ILE A CG1 1 ATOM 1420 C CG2 . ILE A 1 196 ? 25.685 41.772 -4.617 1.00 22.28 ? 196 ILE A CG2 1 ATOM 1421 C CD1 . ILE A 1 196 ? 28.447 41.226 -3.533 1.00 25.14 ? 196 ILE A CD1 1 ATOM 1422 N N . LYS A 1 197 ? 24.209 44.804 -4.814 1.00 23.17 ? 197 LYS A N 1 ATOM 1423 C CA . LYS A 1 197 ? 23.722 45.513 -6.002 1.00 24.16 ? 197 LYS A CA 1 ATOM 1424 C C . LYS A 1 197 ? 22.208 45.617 -5.840 1.00 25.45 ? 197 LYS A C 1 ATOM 1425 O O . LYS A 1 197 ? 21.637 44.575 -5.444 1.00 24.94 ? 197 LYS A O 1 ATOM 1426 C CB . LYS A 1 197 ? 24.097 44.777 -7.266 1.00 26.11 ? 197 LYS A CB 1 ATOM 1427 C CG . LYS A 1 197 ? 23.056 44.043 -8.105 1.00 26.06 ? 197 LYS A CG 1 ATOM 1428 C CD . LYS A 1 197 ? 23.440 42.572 -8.273 1.00 27.46 ? 197 LYS A CD 1 ATOM 1429 C CE . LYS A 1 197 ? 23.458 41.874 -6.917 1.00 29.47 ? 197 LYS A CE 1 ATOM 1430 N NZ . LYS A 1 197 ? 23.920 40.472 -7.027 1.00 30.16 ? 197 LYS A NZ 1 ATOM 1431 N N . THR A 1 198 ? 21.614 46.755 -6.112 1.00 26.18 ? 198 THR A N 1 ATOM 1432 C CA . THR A 1 198 ? 20.135 46.916 -5.975 1.00 26.82 ? 198 THR A CA 1 ATOM 1433 C C . THR A 1 198 ? 19.487 46.138 -7.118 1.00 26.30 ? 198 THR A C 1 ATOM 1434 O O . THR A 1 198 ? 20.115 45.785 -8.147 1.00 26.61 ? 198 THR A O 1 ATOM 1435 C CB . THR A 1 198 ? 19.696 48.431 -5.829 1.00 29.80 ? 198 THR A CB 1 ATOM 1436 O OG1 . THR A 1 198 ? 20.532 48.905 -4.679 1.00 31.42 ? 198 THR A OG1 1 ATOM 1437 C CG2 . THR A 1 198 ? 18.265 48.895 -5.546 1.00 24.91 ? 198 THR A CG2 1 ATOM 1438 N N . GLY A 1 199 ? 18.212 45.869 -6.907 1.00 24.80 ? 199 GLY A N 1 ATOM 1439 C CA . GLY A 1 199 ? 17.455 45.100 -7.935 1.00 22.41 ? 199 GLY A CA 1 ATOM 1440 C C . GLY A 1 199 ? 17.181 43.728 -7.310 1.00 20.31 ? 199 GLY A C 1 ATOM 1441 O O . GLY A 1 199 ? 16.162 43.092 -7.651 1.00 23.07 ? 199 GLY A O 1 ATOM 1442 N N . VAL A 1 200 ? 18.075 43.317 -6.421 1.00 15.79 ? 200 VAL A N 1 ATOM 1443 C CA . VAL A 1 200 ? 17.984 42.046 -5.718 1.00 11.07 ? 200 VAL A CA 1 ATOM 1444 C C . VAL A 1 200 ? 18.300 42.195 -4.250 1.00 9.52 ? 200 VAL A C 1 ATOM 1445 O O . VAL A 1 200 ? 19.087 43.073 -3.992 1.00 9.57 ? 200 VAL A O 1 ATOM 1446 C CB . VAL A 1 200 ? 19.035 41.020 -6.194 1.00 10.30 ? 200 VAL A CB 1 ATOM 1447 C CG1 . VAL A 1 200 ? 18.406 39.704 -6.531 1.00 4.95 ? 200 VAL A CG1 1 ATOM 1448 C CG2 . VAL A 1 200 ? 19.907 41.683 -7.272 1.00 10.63 ? 200 VAL A CG2 1 ATOM 1449 N N . TRP A 1 201 ? 17.724 41.375 -3.417 1.00 10.53 ? 201 TRP A N 1 ATOM 1450 C CA . TRP A 1 201 ? 17.862 41.333 -1.973 1.00 10.04 ? 201 TRP A CA 1 ATOM 1451 C C . TRP A 1 201 ? 18.931 40.270 -1.703 1.00 10.62 ? 201 TRP A C 1 ATOM 1452 O O . TRP A 1 201 ? 18.669 39.178 -1.124 1.00 11.82 ? 201 TRP A O 1 ATOM 1453 C CB . TRP A 1 201 ? 16.504 40.932 -1.408 1.00 9.68 ? 201 TRP A CB 1 ATOM 1454 C CG . TRP A 1 201 ? 15.457 41.939 -1.146 1.00 7.86 ? 201 TRP A CG 1 ATOM 1455 C CD1 . TRP A 1 201 ? 14.166 41.944 -1.573 1.00 7.01 ? 201 TRP A CD1 1 ATOM 1456 C CD2 . TRP A 1 201 ? 15.599 43.142 -0.365 1.00 7.19 ? 201 TRP A CD2 1 ATOM 1457 N NE1 . TRP A 1 201 ? 13.501 43.058 -1.124 1.00 5.92 ? 201 TRP A NE1 1 ATOM 1458 C CE2 . TRP A 1 201 ? 14.350 43.810 -0.392 1.00 6.43 ? 201 TRP A CE2 1 ATOM 1459 C CE3 . TRP A 1 201 ? 16.653 43.699 0.319 1.00 6.38 ? 201 TRP A CE3 1 ATOM 1460 C CZ2 . TRP A 1 201 ? 14.139 45.009 0.263 1.00 5.87 ? 201 TRP A CZ2 1 ATOM 1461 C CZ3 . TRP A 1 201 ? 16.439 44.901 0.986 1.00 7.15 ? 201 TRP A CZ3 1 ATOM 1462 C CH2 . TRP A 1 201 ? 15.216 45.540 0.965 1.00 6.03 ? 201 TRP A CH2 1 ATOM 1463 N N . GLN A 1 202 ? 20.108 40.640 -2.156 1.00 8.71 ? 202 GLN A N 1 ATOM 1464 C CA . GLN A 1 202 ? 21.309 39.775 -2.066 1.00 8.44 ? 202 GLN A CA 1 ATOM 1465 C C . GLN A 1 202 ? 22.490 40.434 -1.405 1.00 9.29 ? 202 GLN A C 1 ATOM 1466 O O . GLN A 1 202 ? 22.836 41.592 -1.783 1.00 8.94 ? 202 GLN A O 1 ATOM 1467 C CB . GLN A 1 202 ? 21.597 39.358 -3.518 1.00 6.81 ? 202 GLN A CB 1 ATOM 1468 C CG . GLN A 1 202 ? 22.753 38.375 -3.728 1.00 7.40 ? 202 GLN A CG 1 ATOM 1469 C CD . GLN A 1 202 ? 22.633 37.727 -5.080 1.00 2.00 ? 202 GLN A CD 1 ATOM 1470 O OE1 . GLN A 1 202 ? 22.511 38.447 -6.056 1.00 4.49 ? 202 GLN A OE1 1 ATOM 1471 N NE2 . GLN A 1 202 ? 22.646 36.449 -5.254 1.00 2.00 ? 202 GLN A NE2 1 ATOM 1472 N N . ILE A 1 203 ? 23.060 39.691 -0.438 1.00 10.44 ? 203 ILE A N 1 ATOM 1473 C CA . ILE A 1 203 ? 24.254 40.292 0.267 1.00 11.77 ? 203 ILE A CA 1 ATOM 1474 C C . ILE A 1 203 ? 25.465 39.449 -0.071 1.00 12.60 ? 203 ILE A C 1 ATOM 1475 O O . ILE A 1 203 ? 25.321 38.440 -0.786 1.00 12.98 ? 203 ILE A O 1 ATOM 1476 C CB . ILE A 1 203 ? 23.850 40.788 1.673 1.00 9.96 ? 203 ILE A CB 1 ATOM 1477 C CG1 . ILE A 1 203 ? 23.132 39.772 2.552 1.00 13.85 ? 203 ILE A CG1 1 ATOM 1478 C CG2 . ILE A 1 203 ? 22.911 42.015 1.338 1.00 12.62 ? 203 ILE A CG2 1 ATOM 1479 C CD1 . ILE A 1 203 ? 23.847 38.390 2.744 1.00 14.91 ? 203 ILE A CD1 1 ATOM 1480 N N . GLN A 1 204 ? 26.632 39.872 0.354 1.00 14.32 ? 204 GLN A N 1 ATOM 1481 C CA . GLN A 1 204 ? 27.907 39.185 0.107 1.00 16.68 ? 204 GLN A CA 1 ATOM 1482 C C . GLN A 1 204 ? 28.298 38.384 1.363 1.00 16.76 ? 204 GLN A C 1 ATOM 1483 O O . GLN A 1 204 ? 28.328 38.956 2.456 1.00 15.50 ? 204 GLN A O 1 ATOM 1484 C CB . GLN A 1 204 ? 29.108 40.026 -0.283 1.00 18.79 ? 204 GLN A CB 1 ATOM 1485 C CG . GLN A 1 204 ? 30.394 39.184 -0.380 1.00 22.32 ? 204 GLN A CG 1 ATOM 1486 C CD . GLN A 1 204 ? 31.009 39.386 -1.749 1.00 24.92 ? 204 GLN A CD 1 ATOM 1487 O OE1 . GLN A 1 204 ? 30.959 38.566 -2.689 1.00 27.33 ? 204 GLN A OE1 1 ATOM 1488 N NE2 . GLN A 1 204 ? 31.593 40.595 -1.796 1.00 25.50 ? 204 GLN A NE2 1 ATOM 1489 N N . MET A 1 205 ? 28.572 37.117 1.098 1.00 18.42 ? 205 MET A N 1 ATOM 1490 C CA . MET A 1 205 ? 28.950 36.140 2.142 1.00 21.21 ? 205 MET A CA 1 ATOM 1491 C C . MET A 1 205 ? 30.439 35.836 2.064 1.00 24.32 ? 205 MET A C 1 ATOM 1492 O O . MET A 1 205 ? 30.951 35.683 0.934 1.00 25.55 ? 205 MET A O 1 ATOM 1493 C CB . MET A 1 205 ? 28.065 34.907 2.016 1.00 22.29 ? 205 MET A CB 1 ATOM 1494 C CG . MET A 1 205 ? 28.480 33.724 2.808 1.00 21.77 ? 205 MET A CG 1 ATOM 1495 S SD . MET A 1 205 ? 26.961 32.834 3.334 1.00 22.23 ? 205 MET A SD 1 ATOM 1496 C CE . MET A 1 205 ? 26.777 31.816 1.860 1.00 21.81 ? 205 MET A CE 1 ATOM 1497 N N . LYS A 1 206 ? 31.053 35.756 3.238 1.00 25.11 ? 206 LYS A N 1 ATOM 1498 C CA . LYS A 1 206 ? 32.504 35.466 3.253 1.00 26.58 ? 206 LYS A CA 1 ATOM 1499 C C . LYS A 1 206 ? 32.757 34.104 3.889 1.00 27.86 ? 206 LYS A C 1 ATOM 1500 O O . LYS A 1 206 ? 33.398 34.009 4.951 1.00 27.11 ? 206 LYS A O 1 ATOM 1501 C CB . LYS A 1 206 ? 33.271 36.591 3.940 1.00 27.55 ? 206 LYS A CB 1 ATOM 1502 C CG . LYS A 1 206 ? 33.967 37.548 2.981 1.00 30.51 ? 206 LYS A CG 1 ATOM 1503 C CD . LYS A 1 206 ? 33.882 39.002 3.425 1.00 33.43 ? 206 LYS A CD 1 ATOM 1504 C CE . LYS A 1 206 ? 34.467 39.932 2.369 1.00 36.64 ? 206 LYS A CE 1 ATOM 1505 N NZ . LYS A 1 206 ? 33.743 41.253 2.432 1.00 40.20 ? 206 LYS A NZ 1 ATOM 1506 N N . GLY A 1 207 ? 32.272 33.022 3.282 1.00 28.36 ? 207 GLY A N 1 ATOM 1507 C CA . GLY A 1 207 ? 32.484 31.684 3.809 1.00 27.55 ? 207 GLY A CA 1 ATOM 1508 C C . GLY A 1 207 ? 31.510 30.964 4.701 1.00 27.01 ? 207 GLY A C 1 ATOM 1509 O O . GLY A 1 207 ? 30.696 31.597 5.373 1.00 26.36 ? 207 GLY A O 1 ATOM 1510 N N . VAL A 1 208 ? 31.630 29.632 4.676 1.00 25.66 ? 208 VAL A N 1 ATOM 1511 C CA . VAL A 1 208 ? 30.788 28.748 5.486 1.00 25.40 ? 208 VAL A CA 1 ATOM 1512 C C . VAL A 1 208 ? 31.635 27.810 6.355 1.00 26.80 ? 208 VAL A C 1 ATOM 1513 O O . VAL A 1 208 ? 32.312 26.873 5.855 1.00 26.61 ? 208 VAL A O 1 ATOM 1514 C CB . VAL A 1 208 ? 29.812 28.009 4.548 1.00 23.87 ? 208 VAL A CB 1 ATOM 1515 C CG1 . VAL A 1 208 ? 28.603 27.451 5.278 1.00 23.06 ? 208 VAL A CG1 1 ATOM 1516 C CG2 . VAL A 1 208 ? 29.417 28.886 3.372 1.00 25.18 ? 208 VAL A CG2 1 ATOM 1517 N N . SER A 1 209 ? 31.622 28.020 7.657 1.00 27.36 ? 209 SER A N 1 ATOM 1518 C CA . SER A 1 209 ? 32.390 27.150 8.565 1.00 27.85 ? 209 SER A CA 1 ATOM 1519 C C . SER A 1 209 ? 31.499 25.945 8.878 1.00 29.80 ? 209 SER A C 1 ATOM 1520 O O . SER A 1 209 ? 30.597 26.073 9.718 1.00 29.24 ? 209 SER A O 1 ATOM 1521 C CB . SER A 1 209 ? 32.825 27.756 9.863 1.00 27.00 ? 209 SER A CB 1 ATOM 1522 O OG . SER A 1 209 ? 32.974 29.152 9.793 1.00 27.13 ? 209 SER A OG 1 ATOM 1523 N N . VAL A 1 210 ? 31.772 24.837 8.205 1.00 33.38 ? 210 VAL A N 1 ATOM 1524 C CA . VAL A 1 210 ? 30.958 23.637 8.484 1.00 36.91 ? 210 VAL A CA 1 ATOM 1525 C C . VAL A 1 210 ? 31.626 22.868 9.660 1.00 38.87 ? 210 VAL A C 1 ATOM 1526 O O . VAL A 1 210 ? 31.840 21.645 9.612 1.00 39.37 ? 210 VAL A O 1 ATOM 1527 C CB . VAL A 1 210 ? 30.583 22.739 7.320 1.00 37.49 ? 210 VAL A CB 1 ATOM 1528 C CG1 . VAL A 1 210 ? 29.785 21.532 7.846 1.00 40.78 ? 210 VAL A CG1 1 ATOM 1529 C CG2 . VAL A 1 210 ? 29.744 23.341 6.210 1.00 38.33 ? 210 VAL A CG2 1 ATOM 1530 N N . GLY A 1 211 ? 31.933 23.581 10.723 1.00 39.84 ? 211 GLY A N 1 ATOM 1531 C CA . GLY A 1 211 ? 32.538 23.065 11.952 1.00 42.65 ? 211 GLY A CA 1 ATOM 1532 C C . GLY A 1 211 ? 32.831 24.209 12.919 1.00 45.76 ? 211 GLY A C 1 ATOM 1533 O O . GLY A 1 211 ? 32.028 24.919 13.541 1.00 46.42 ? 211 GLY A O 1 ATOM 1534 N N . SER A 1 212 ? 34.103 24.431 13.086 1.00 48.21 ? 212 SER A N 1 ATOM 1535 C CA . SER A 1 212 ? 34.901 25.394 13.806 1.00 50.11 ? 212 SER A CA 1 ATOM 1536 C C . SER A 1 212 ? 36.189 25.328 12.911 1.00 50.78 ? 212 SER A C 1 ATOM 1537 O O . SER A 1 212 ? 37.250 25.840 13.236 1.00 51.99 ? 212 SER A O 1 ATOM 1538 C CB . SER A 1 212 ? 35.343 25.457 15.246 1.00 52.14 ? 212 SER A CB 1 ATOM 1539 O OG . SER A 1 212 ? 35.719 26.829 15.542 1.00 52.50 ? 212 SER A OG 1 ATOM 1540 N N . SER A 1 213 ? 35.952 24.667 11.787 1.00 99.99 ? 213 SER A N 1 ATOM 1541 C CA . SER A 1 213 ? 36.952 24.395 10.767 1.00 99.99 ? 213 SER A CA 1 ATOM 1542 C C . SER A 1 213 ? 36.620 24.317 9.301 1.00 99.99 ? 213 SER A C 1 ATOM 1543 O O . SER A 1 213 ? 37.304 25.138 8.605 1.00 99.99 ? 213 SER A O 1 ATOM 1544 C CB . SER A 1 213 ? 37.487 23.020 11.260 1.00 99.99 ? 213 SER A CB 1 ATOM 1545 O OG . SER A 1 213 ? 37.417 22.909 12.690 1.00 99.99 ? 213 SER A OG 1 ATOM 1546 N N . THR A 1 214 ? 35.731 23.473 8.780 1.00 99.99 ? 214 THR A N 1 ATOM 1547 C CA . THR A 1 214 ? 35.472 23.488 7.308 1.00 99.99 ? 214 THR A CA 1 ATOM 1548 C C . THR A 1 214 ? 35.291 24.984 6.924 1.00 99.99 ? 214 THR A C 1 ATOM 1549 O O . THR A 1 214 ? 34.965 25.840 7.774 1.00 99.99 ? 214 THR A O 1 ATOM 1550 C CB . THR A 1 214 ? 34.259 22.643 6.739 1.00 99.99 ? 214 THR A CB 1 ATOM 1551 O OG1 . THR A 1 214 ? 34.538 21.238 7.001 1.00 99.99 ? 214 THR A OG1 1 ATOM 1552 C CG2 . THR A 1 214 ? 33.889 22.783 5.239 1.00 99.99 ? 214 THR A CG2 1 ATOM 1553 N N . LEU A 1 215 ? 35.505 25.256 5.657 1.00 44.55 ? 215 LEU A N 1 ATOM 1554 C CA . LEU A 1 215 ? 35.392 26.581 5.062 1.00 42.61 ? 215 LEU A CA 1 ATOM 1555 C C . LEU A 1 215 ? 35.027 26.374 3.589 1.00 41.87 ? 215 LEU A C 1 ATOM 1556 O O . LEU A 1 215 ? 35.751 25.798 2.783 1.00 41.66 ? 215 LEU A O 1 ATOM 1557 C CB . LEU A 1 215 ? 36.647 27.380 5.334 1.00 41.45 ? 215 LEU A CB 1 ATOM 1558 C CG . LEU A 1 215 ? 36.694 28.509 6.336 1.00 41.70 ? 215 LEU A CG 1 ATOM 1559 C CD1 . LEU A 1 215 ? 36.057 29.788 5.784 1.00 43.27 ? 215 LEU A CD1 1 ATOM 1560 C CD2 . LEU A 1 215 ? 35.998 28.167 7.647 1.00 40.24 ? 215 LEU A CD2 1 ATOM 1561 N N . LEU A 1 216 ? 33.843 26.855 3.286 1.00 41.15 ? 216 LEU A N 1 ATOM 1562 C CA . LEU A 1 216 ? 33.249 26.822 1.949 1.00 41.44 ? 216 LEU A CA 1 ATOM 1563 C C . LEU A 1 216 ? 33.277 28.330 1.606 1.00 41.27 ? 216 LEU A C 1 ATOM 1564 O O . LEU A 1 216 ? 33.350 29.136 2.555 1.00 40.92 ? 216 LEU A O 1 ATOM 1565 C CB . LEU A 1 216 ? 31.829 26.301 1.882 1.00 41.58 ? 216 LEU A CB 1 ATOM 1566 C CG . LEU A 1 216 ? 31.466 24.892 1.461 1.00 42.65 ? 216 LEU A CG 1 ATOM 1567 C CD1 . LEU A 1 216 ? 29.946 24.726 1.503 1.00 43.56 ? 216 LEU A CD1 1 ATOM 1568 C CD2 . LEU A 1 216 ? 32.003 24.610 0.062 1.00 41.82 ? 216 LEU A CD2 1 ATOM 1569 N N . CYS A 1 217 ? 33.224 28.611 0.341 1.00 41.87 ? 217 CYS A N 1 ATOM 1570 C CA . CYS A 1 217 ? 33.208 30.041 -0.055 1.00 44.49 ? 217 CYS A CA 1 ATOM 1571 C C . CYS A 1 217 ? 34.164 30.951 0.687 1.00 45.76 ? 217 CYS A C 1 ATOM 1572 O O . CYS A 1 217 ? 33.892 32.149 0.903 1.00 45.22 ? 217 CYS A O 1 ATOM 1573 C CB . CYS A 1 217 ? 31.719 30.385 0.034 1.00 43.88 ? 217 CYS A CB 1 ATOM 1574 S SG . CYS A 1 217 ? 31.104 31.917 0.732 1.00 41.77 ? 217 CYS A SG 1 ATOM 1575 N N . GLU A 1 218 ? 35.305 30.411 1.083 1.00 48.79 ? 218 GLU A N 1 ATOM 1576 C CA . GLU A 1 218 ? 36.351 31.194 1.781 1.00 51.01 ? 218 GLU A CA 1 ATOM 1577 C C . GLU A 1 218 ? 36.887 31.924 0.538 1.00 51.96 ? 218 GLU A C 1 ATOM 1578 O O . GLU A 1 218 ? 37.919 31.526 -0.031 1.00 53.23 ? 218 GLU A O 1 ATOM 1579 C CB . GLU A 1 218 ? 37.442 30.390 2.452 1.00 53.33 ? 218 GLU A CB 1 ATOM 1580 C CG . GLU A 1 218 ? 38.151 30.952 3.662 1.00 56.83 ? 218 GLU A CG 1 ATOM 1581 C CD . GLU A 1 218 ? 39.496 30.545 4.171 1.00 59.30 ? 218 GLU A CD 1 ATOM 1582 O OE1 . GLU A 1 218 ? 39.975 29.409 4.179 1.00 60.03 ? 218 GLU A OE1 1 ATOM 1583 O OE2 . GLU A 1 218 ? 40.155 31.527 4.643 1.00 59.77 ? 218 GLU A OE2 1 ATOM 1584 N N . ASP A 1 219 ? 36.156 32.952 0.120 1.00 51.29 ? 219 ASP A N 1 ATOM 1585 C CA . ASP A 1 219 ? 36.493 33.749 -1.064 1.00 50.23 ? 219 ASP A CA 1 ATOM 1586 C C . ASP A 1 219 ? 35.571 34.962 -1.208 1.00 48.77 ? 219 ASP A C 1 ATOM 1587 O O . ASP A 1 219 ? 35.898 36.139 -1.396 1.00 50.01 ? 219 ASP A O 1 ATOM 1588 C CB . ASP A 1 219 ? 36.318 32.899 -2.336 1.00 51.46 ? 219 ASP A CB 1 ATOM 1589 C CG . ASP A 1 219 ? 37.607 32.458 -2.992 1.00 53.51 ? 219 ASP A CG 1 ATOM 1590 O OD1 . ASP A 1 219 ? 38.515 33.322 -3.026 1.00 54.55 ? 219 ASP A OD1 1 ATOM 1591 O OD2 . ASP A 1 219 ? 37.693 31.299 -3.447 1.00 53.58 ? 219 ASP A OD2 1 ATOM 1592 N N . GLY A 1 220 ? 34.317 34.592 -1.125 1.00 46.59 ? 220 GLY A N 1 ATOM 1593 C CA . GLY A 1 220 ? 33.093 35.401 -1.233 1.00 43.25 ? 220 GLY A CA 1 ATOM 1594 C C . GLY A 1 220 ? 32.200 34.468 -2.089 1.00 40.99 ? 220 GLY A C 1 ATOM 1595 O O . GLY A 1 220 ? 32.715 33.724 -2.950 1.00 42.05 ? 220 GLY A O 1 ATOM 1596 N N . CYS A 1 221 ? 30.927 34.504 -1.822 1.00 36.64 ? 221 CYS A N 1 ATOM 1597 C CA . CYS A 1 221 ? 29.924 33.691 -2.539 1.00 33.39 ? 221 CYS A CA 1 ATOM 1598 C C . CYS A 1 221 ? 28.688 34.563 -2.352 1.00 28.52 ? 221 CYS A C 1 ATOM 1599 O O . CYS A 1 221 ? 28.848 35.379 -1.427 1.00 30.59 ? 221 CYS A O 1 ATOM 1600 C CB . CYS A 1 221 ? 29.814 32.280 -2.032 1.00 36.40 ? 221 CYS A CB 1 ATOM 1601 S SG . CYS A 1 221 ? 29.403 32.213 -0.281 1.00 41.09 ? 221 CYS A SG 1 ATOM 1602 N N . LEU A 1 222 ? 27.649 34.448 -3.119 1.00 22.18 ? 222 LEU A N 1 ATOM 1603 C CA . LEU A 1 222 ? 26.503 35.349 -2.879 1.00 16.52 ? 222 LEU A CA 1 ATOM 1604 C C . LEU A 1 222 ? 25.422 34.612 -2.118 1.00 14.38 ? 222 LEU A C 1 ATOM 1605 O O . LEU A 1 222 ? 25.214 33.403 -2.298 1.00 12.56 ? 222 LEU A O 1 ATOM 1606 C CB . LEU A 1 222 ? 26.156 35.845 -4.250 1.00 15.22 ? 222 LEU A CB 1 ATOM 1607 C CG . LEU A 1 222 ? 26.412 37.197 -4.849 1.00 14.99 ? 222 LEU A CG 1 ATOM 1608 C CD1 . LEU A 1 222 ? 27.816 37.734 -4.598 1.00 15.57 ? 222 LEU A CD1 1 ATOM 1609 C CD2 . LEU A 1 222 ? 26.166 37.018 -6.357 1.00 15.35 ? 222 LEU A CD2 1 ATOM 1610 N N . ALA A 1 223 ? 24.740 35.363 -1.287 1.00 14.32 ? 223 ALA A N 1 ATOM 1611 C CA . ALA A 1 223 ? 23.639 34.905 -0.448 1.00 13.63 ? 223 ALA A CA 1 ATOM 1612 C C . ALA A 1 223 ? 22.341 35.693 -0.607 1.00 13.62 ? 223 ALA A C 1 ATOM 1613 O O . ALA A 1 223 ? 22.294 36.782 -0.027 1.00 14.71 ? 223 ALA A O 1 ATOM 1614 C CB . ALA A 1 223 ? 24.027 35.032 1.024 1.00 15.98 ? 223 ALA A CB 1 ATOM 1615 N N . LEU A 1 224 ? 21.337 35.183 -1.276 1.00 12.42 ? 224 LEU A N 1 ATOM 1616 C CA . LEU A 1 224 ? 20.050 35.904 -1.434 1.00 10.83 ? 224 LEU A CA 1 ATOM 1617 C C . LEU A 1 224 ? 19.113 35.620 -0.249 1.00 10.78 ? 224 LEU A C 1 ATOM 1618 O O . LEU A 1 224 ? 18.777 34.433 -0.020 1.00 9.68 ? 224 LEU A O 1 ATOM 1619 C CB . LEU A 1 224 ? 19.519 35.474 -2.766 1.00 7.61 ? 224 LEU A CB 1 ATOM 1620 C CG . LEU A 1 224 ? 18.138 35.217 -3.204 1.00 4.97 ? 224 LEU A CG 1 ATOM 1621 C CD1 . LEU A 1 224 ? 17.639 36.574 -3.746 1.00 4.59 ? 224 LEU A CD1 1 ATOM 1622 C CD2 . LEU A 1 224 ? 18.102 34.225 -4.388 1.00 3.57 ? 224 LEU A CD2 1 ATOM 1623 N N . VAL A 1 225 ? 18.746 36.727 0.434 1.00 8.10 ? 225 VAL A N 1 ATOM 1624 C CA . VAL A 1 225 ? 17.847 36.588 1.598 1.00 7.84 ? 225 VAL A CA 1 ATOM 1625 C C . VAL A 1 225 ? 16.414 36.447 1.017 1.00 9.37 ? 225 VAL A C 1 ATOM 1626 O O . VAL A 1 225 ? 15.745 37.402 0.615 1.00 7.15 ? 225 VAL A O 1 ATOM 1627 C CB . VAL A 1 225 ? 18.096 37.734 2.566 1.00 5.87 ? 225 VAL A CB 1 ATOM 1628 C CG1 . VAL A 1 225 ? 17.006 37.698 3.621 1.00 3.50 ? 225 VAL A CG1 1 ATOM 1629 C CG2 . VAL A 1 225 ? 19.467 37.776 3.241 1.00 4.01 ? 225 VAL A CG2 1 ATOM 1630 N N . ASP A 1 226 ? 15.977 35.179 0.975 1.00 9.25 ? 226 ASP A N 1 ATOM 1631 C CA . ASP A 1 226 ? 14.687 34.795 0.423 1.00 9.05 ? 226 ASP A CA 1 ATOM 1632 C C . ASP A 1 226 ? 13.648 34.161 1.328 1.00 9.39 ? 226 ASP A C 1 ATOM 1633 O O . ASP A 1 226 ? 13.780 32.999 1.650 1.00 8.57 ? 226 ASP A O 1 ATOM 1634 C CB . ASP A 1 226 ? 15.083 33.898 -0.740 1.00 11.73 ? 226 ASP A CB 1 ATOM 1635 C CG . ASP A 1 226 ? 14.040 33.490 -1.746 1.00 11.92 ? 226 ASP A CG 1 ATOM 1636 O OD1 . ASP A 1 226 ? 12.876 33.873 -1.827 1.00 15.02 ? 226 ASP A OD1 1 ATOM 1637 O OD2 . ASP A 1 226 ? 14.456 32.677 -2.568 1.00 10.54 ? 226 ASP A OD2 1 ATOM 1638 N N . THR A 1 227 ? 12.658 34.988 1.678 1.00 8.85 ? 227 THR A N 1 ATOM 1639 C CA . THR A 1 227 ? 11.525 34.666 2.535 1.00 6.41 ? 227 THR A CA 1 ATOM 1640 C C . THR A 1 227 ? 10.659 33.588 1.884 1.00 6.86 ? 227 THR A C 1 ATOM 1641 O O . THR A 1 227 ? 10.088 32.837 2.660 1.00 3.74 ? 227 THR A O 1 ATOM 1642 C CB . THR A 1 227 ? 10.626 35.925 2.875 1.00 3.69 ? 227 THR A CB 1 ATOM 1643 O OG1 . THR A 1 227 ? 10.212 36.586 1.614 1.00 2.00 ? 227 THR A OG1 1 ATOM 1644 C CG2 . THR A 1 227 ? 11.399 36.887 3.784 1.00 4.25 ? 227 THR A CG2 1 ATOM 1645 N N . GLY A 1 228 ? 10.641 33.629 0.558 1.00 7.24 ? 228 GLY A N 1 ATOM 1646 C CA . GLY A 1 228 ? 9.804 32.628 -0.109 1.00 10.84 ? 228 GLY A CA 1 ATOM 1647 C C . GLY A 1 228 ? 10.301 31.196 0.025 1.00 11.79 ? 228 GLY A C 1 ATOM 1648 O O . GLY A 1 228 ? 9.494 30.254 -0.098 1.00 11.59 ? 228 GLY A O 1 ATOM 1649 N N . ALA A 1 229 ? 11.583 31.024 0.272 1.00 11.43 ? 229 ALA A N 1 ATOM 1650 C CA . ALA A 1 229 ? 12.229 29.719 0.422 1.00 9.48 ? 229 ALA A CA 1 ATOM 1651 C C . ALA A 1 229 ? 12.073 29.031 1.775 1.00 11.57 ? 229 ALA A C 1 ATOM 1652 O O . ALA A 1 229 ? 12.171 29.554 2.927 1.00 11.94 ? 229 ALA A O 1 ATOM 1653 C CB . ALA A 1 229 ? 13.697 29.947 0.132 1.00 7.77 ? 229 ALA A CB 1 ATOM 1654 N N . SER A 1 230 ? 11.831 27.735 1.636 1.00 11.37 ? 230 SER A N 1 ATOM 1655 C CA . SER A 1 230 ? 11.651 26.851 2.811 1.00 13.87 ? 230 SER A CA 1 ATOM 1656 C C . SER A 1 230 ? 12.938 26.365 3.442 1.00 14.98 ? 230 SER A C 1 ATOM 1657 O O . SER A 1 230 ? 12.978 26.234 4.711 1.00 16.48 ? 230 SER A O 1 ATOM 1658 C CB . SER A 1 230 ? 10.626 25.805 2.399 1.00 13.96 ? 230 SER A CB 1 ATOM 1659 O OG . SER A 1 230 ? 10.111 26.147 1.102 1.00 14.85 ? 230 SER A OG 1 ATOM 1660 N N . TYR A 1 231 ? 13.985 26.120 2.678 1.00 15.83 ? 231 TYR A N 1 ATOM 1661 C CA . TYR A 1 231 ? 15.277 25.641 3.209 1.00 17.44 ? 231 TYR A CA 1 ATOM 1662 C C . TYR A 1 231 ? 16.419 26.610 3.009 1.00 15.86 ? 231 TYR A C 1 ATOM 1663 O O . TYR A 1 231 ? 16.198 27.675 2.419 1.00 15.55 ? 231 TYR A O 1 ATOM 1664 C CB . TYR A 1 231 ? 15.612 24.263 2.517 1.00 20.60 ? 231 TYR A CB 1 ATOM 1665 C CG . TYR A 1 231 ? 14.444 23.307 2.509 1.00 22.45 ? 231 TYR A CG 1 ATOM 1666 C CD1 . TYR A 1 231 ? 14.207 22.485 3.604 1.00 24.14 ? 231 TYR A CD1 1 ATOM 1667 C CD2 . TYR A 1 231 ? 13.550 23.238 1.435 1.00 24.83 ? 231 TYR A CD2 1 ATOM 1668 C CE1 . TYR A 1 231 ? 13.117 21.600 3.636 1.00 26.07 ? 231 TYR A CE1 1 ATOM 1669 C CE2 . TYR A 1 231 ? 12.446 22.378 1.434 1.00 24.53 ? 231 TYR A CE2 1 ATOM 1670 C CZ . TYR A 1 231 ? 12.249 21.560 2.537 1.00 26.27 ? 231 TYR A CZ 1 ATOM 1671 O OH . TYR A 1 231 ? 11.187 20.700 2.566 1.00 28.28 ? 231 TYR A OH 1 ATOM 1672 N N . ILE A 1 232 ? 17.617 26.267 3.476 1.00 16.63 ? 232 ILE A N 1 ATOM 1673 C CA . ILE A 1 232 ? 18.810 27.117 3.277 1.00 17.42 ? 232 ILE A CA 1 ATOM 1674 C C . ILE A 1 232 ? 19.429 26.450 2.013 1.00 16.14 ? 232 ILE A C 1 ATOM 1675 O O . ILE A 1 232 ? 19.668 25.265 2.262 1.00 15.30 ? 232 ILE A O 1 ATOM 1676 C CB . ILE A 1 232 ? 19.904 27.181 4.349 1.00 18.40 ? 232 ILE A CB 1 ATOM 1677 C CG1 . ILE A 1 232 ? 19.671 28.266 5.427 1.00 18.99 ? 232 ILE A CG1 1 ATOM 1678 C CG2 . ILE A 1 232 ? 21.328 27.407 3.735 1.00 20.12 ? 232 ILE A CG2 1 ATOM 1679 C CD1 . ILE A 1 232 ? 20.334 27.871 6.783 1.00 19.36 ? 232 ILE A CD1 1 ATOM 1680 N N . SER A 1 233 ? 19.628 27.078 0.891 1.00 16.27 ? 233 SER A N 1 ATOM 1681 C CA . SER A 1 233 ? 20.214 26.406 -0.264 1.00 18.52 ? 233 SER A CA 1 ATOM 1682 C C . SER A 1 233 ? 21.552 27.029 -0.735 1.00 20.17 ? 233 SER A C 1 ATOM 1683 O O . SER A 1 233 ? 22.024 28.146 -0.529 1.00 18.74 ? 233 SER A O 1 ATOM 1684 C CB . SER A 1 233 ? 19.335 26.202 -1.466 1.00 17.68 ? 233 SER A CB 1 ATOM 1685 O OG . SER A 1 233 ? 18.608 27.316 -1.850 1.00 21.12 ? 233 SER A OG 1 ATOM 1686 N N . GLY A 1 234 ? 22.237 26.155 -1.464 1.00 21.98 ? 234 GLY A N 1 ATOM 1687 C CA . GLY A 1 234 ? 23.539 26.301 -2.102 1.00 23.53 ? 234 GLY A CA 1 ATOM 1688 C C . GLY A 1 234 ? 23.532 25.430 -3.367 1.00 24.39 ? 234 GLY A C 1 ATOM 1689 O O . GLY A 1 234 ? 22.590 24.670 -3.501 1.00 24.09 ? 234 GLY A O 1 ATOM 1690 N N . SER A 1 235 ? 24.539 25.584 -4.197 1.00 25.81 ? 235 SER A N 1 ATOM 1691 C CA . SER A 1 235 ? 24.772 24.905 -5.469 1.00 24.53 ? 235 SER A CA 1 ATOM 1692 C C . SER A 1 235 ? 25.080 23.450 -5.149 1.00 25.15 ? 235 SER A C 1 ATOM 1693 O O . SER A 1 235 ? 25.647 23.242 -4.067 1.00 26.05 ? 235 SER A O 1 ATOM 1694 C CB . SER A 1 235 ? 25.908 25.529 -6.244 1.00 24.13 ? 235 SER A CB 1 ATOM 1695 O OG . SER A 1 235 ? 27.187 25.342 -5.642 1.00 25.38 ? 235 SER A OG 1 ATOM 1696 N N . THR A 1 236 ? 24.711 22.563 -6.045 1.00 24.95 ? 236 THR A N 1 ATOM 1697 C CA . THR A 1 236 ? 24.919 21.133 -5.818 1.00 25.98 ? 236 THR A CA 1 ATOM 1698 C C . THR A 1 236 ? 26.324 20.836 -5.324 1.00 27.64 ? 236 THR A C 1 ATOM 1699 O O . THR A 1 236 ? 26.555 20.115 -4.330 1.00 26.97 ? 236 THR A O 1 ATOM 1700 C CB . THR A 1 236 ? 24.556 20.296 -7.099 1.00 26.18 ? 236 THR A CB 1 ATOM 1701 O OG1 . THR A 1 236 ? 24.516 21.288 -8.161 1.00 27.03 ? 236 THR A OG1 1 ATOM 1702 C CG2 . THR A 1 236 ? 23.243 19.534 -7.071 1.00 27.46 ? 236 THR A CG2 1 ATOM 1703 N N . SER A 1 237 ? 27.201 21.449 -6.116 1.00 29.12 ? 237 SER A N 1 ATOM 1704 C CA . SER A 1 237 ? 28.643 21.331 -5.920 1.00 28.36 ? 237 SER A CA 1 ATOM 1705 C C . SER A 1 237 ? 29.010 21.679 -4.488 1.00 30.38 ? 237 SER A C 1 ATOM 1706 O O . SER A 1 237 ? 29.661 20.870 -3.828 1.00 31.52 ? 237 SER A O 1 ATOM 1707 C CB . SER A 1 237 ? 29.377 22.234 -6.889 1.00 26.36 ? 237 SER A CB 1 ATOM 1708 O OG . SER A 1 237 ? 30.566 22.633 -6.226 1.00 23.96 ? 237 SER A OG 1 ATOM 1709 N N . SER A 1 238 ? 28.562 22.864 -4.130 1.00 31.09 ? 238 SER A N 1 ATOM 1710 C CA . SER A 1 238 ? 28.803 23.415 -2.803 1.00 31.72 ? 238 SER A CA 1 ATOM 1711 C C . SER A 1 238 ? 28.131 22.588 -1.721 1.00 32.32 ? 238 SER A C 1 ATOM 1712 O O . SER A 1 238 ? 28.767 22.229 -0.714 1.00 33.87 ? 238 SER A O 1 ATOM 1713 C CB . SER A 1 238 ? 28.291 24.854 -2.759 1.00 31.19 ? 238 SER A CB 1 ATOM 1714 O OG . SER A 1 238 ? 29.375 25.694 -2.391 1.00 31.40 ? 238 SER A OG 1 ATOM 1715 N N . ILE A 1 239 ? 26.865 22.301 -1.939 1.00 32.68 ? 239 ILE A N 1 ATOM 1716 C CA . ILE A 1 239 ? 26.085 21.529 -0.959 1.00 33.41 ? 239 ILE A CA 1 ATOM 1717 C C . ILE A 1 239 ? 26.587 20.108 -0.769 1.00 35.90 ? 239 ILE A C 1 ATOM 1718 O O . ILE A 1 239 ? 26.357 19.602 0.374 1.00 37.43 ? 239 ILE A O 1 ATOM 1719 C CB . ILE A 1 239 ? 24.558 21.705 -1.299 1.00 30.82 ? 239 ILE A CB 1 ATOM 1720 C CG1 . ILE A 1 239 ? 24.025 23.089 -0.855 1.00 29.05 ? 239 ILE A CG1 1 ATOM 1721 C CG2 . ILE A 1 239 ? 23.687 20.558 -0.713 1.00 29.29 ? 239 ILE A CG2 1 ATOM 1722 C CD1 . ILE A 1 239 ? 24.465 23.761 0.459 1.00 27.02 ? 239 ILE A CD1 1 ATOM 1723 N N . GLU A 1 240 ? 27.223 19.455 -1.736 1.00 36.96 ? 240 GLU A N 1 ATOM 1724 C CA . GLU A 1 240 ? 27.653 18.069 -1.406 1.00 39.24 ? 240 GLU A CA 1 ATOM 1725 C C . GLU A 1 240 ? 29.001 17.982 -0.705 1.00 38.76 ? 240 GLU A C 1 ATOM 1726 O O . GLU A 1 240 ? 29.434 16.866 -0.347 1.00 39.71 ? 240 GLU A O 1 ATOM 1727 C CB . GLU A 1 240 ? 27.634 17.112 -2.585 1.00 41.29 ? 240 GLU A CB 1 ATOM 1728 C CG . GLU A 1 240 ? 28.422 17.503 -3.830 1.00 42.28 ? 240 GLU A CG 1 ATOM 1729 C CD . GLU A 1 240 ? 28.000 16.694 -5.033 1.00 43.23 ? 240 GLU A CD 1 ATOM 1730 O OE1 . GLU A 1 240 ? 26.757 16.682 -5.207 1.00 41.37 ? 240 GLU A OE1 1 ATOM 1731 O OE2 . GLU A 1 240 ? 28.869 16.140 -5.698 1.00 45.05 ? 240 GLU A OE2 1 ATOM 1732 N N . LYS A 1 241 ? 29.686 19.077 -0.489 1.00 38.69 ? 241 LYS A N 1 ATOM 1733 C CA . LYS A 1 241 ? 30.982 19.038 0.207 1.00 38.34 ? 241 LYS A CA 1 ATOM 1734 C C . LYS A 1 241 ? 30.638 19.203 1.697 1.00 38.45 ? 241 LYS A C 1 ATOM 1735 O O . LYS A 1 241 ? 31.199 18.636 2.647 1.00 38.56 ? 241 LYS A O 1 ATOM 1736 C CB . LYS A 1 241 ? 31.967 20.121 -0.172 1.00 37.44 ? 241 LYS A CB 1 ATOM 1737 C CG . LYS A 1 241 ? 32.927 19.728 -1.283 1.00 40.12 ? 241 LYS A CG 1 ATOM 1738 C CD . LYS A 1 241 ? 34.034 20.734 -1.546 1.00 42.11 ? 241 LYS A CD 1 ATOM 1739 C CE . LYS A 1 241 ? 35.377 20.431 -0.922 1.00 42.95 ? 241 LYS A CE 1 ATOM 1740 N NZ . LYS A 1 241 ? 35.531 21.085 0.412 1.00 42.03 ? 241 LYS A NZ 1 ATOM 1741 N N . LEU A 1 242 ? 29.638 20.059 1.859 1.00 39.08 ? 242 LEU A N 1 ATOM 1742 C CA . LEU A 1 242 ? 29.045 20.480 3.140 1.00 38.74 ? 242 LEU A CA 1 ATOM 1743 C C . LEU A 1 242 ? 28.267 19.322 3.756 1.00 38.69 ? 242 LEU A C 1 ATOM 1744 O O . LEU A 1 242 ? 28.319 19.128 4.983 1.00 39.24 ? 242 LEU A O 1 ATOM 1745 C CB . LEU A 1 242 ? 28.239 21.776 2.917 1.00 37.79 ? 242 LEU A CB 1 ATOM 1746 C CG . LEU A 1 242 ? 27.360 22.318 4.030 1.00 36.73 ? 242 LEU A CG 1 ATOM 1747 C CD1 . LEU A 1 242 ? 27.102 23.817 3.892 1.00 36.00 ? 242 LEU A CD1 1 ATOM 1748 C CD2 . LEU A 1 242 ? 25.997 21.618 3.987 1.00 35.34 ? 242 LEU A CD2 1 ATOM 1749 N N . MET A 1 243 ? 27.577 18.603 2.875 1.00 38.98 ? 243 MET A N 1 ATOM 1750 C CA . MET A 1 243 ? 26.801 17.467 3.440 1.00 40.04 ? 243 MET A CA 1 ATOM 1751 C C . MET A 1 243 ? 27.795 16.372 3.843 1.00 41.79 ? 243 MET A C 1 ATOM 1752 O O . MET A 1 243 ? 27.614 15.645 4.845 1.00 41.37 ? 243 MET A O 1 ATOM 1753 C CB . MET A 1 243 ? 25.625 17.094 2.563 1.00 37.02 ? 243 MET A CB 1 ATOM 1754 C CG . MET A 1 243 ? 24.501 16.780 3.526 1.00 36.27 ? 243 MET A CG 1 ATOM 1755 S SD . MET A 1 243 ? 23.969 18.319 4.352 1.00 35.55 ? 243 MET A SD 1 ATOM 1756 C CE . MET A 1 243 ? 22.486 18.671 3.406 1.00 35.04 ? 243 MET A CE 1 ATOM 1757 N N . GLU A 1 244 ? 28.851 16.286 3.042 1.00 43.48 ? 244 GLU A N 1 ATOM 1758 C CA . GLU A 1 244 ? 29.932 15.309 3.219 1.00 43.03 ? 244 GLU A CA 1 ATOM 1759 C C . GLU A 1 244 ? 30.465 15.391 4.644 1.00 42.46 ? 244 GLU A C 1 ATOM 1760 O O . GLU A 1 244 ? 30.275 14.438 5.414 1.00 42.09 ? 244 GLU A O 1 ATOM 1761 C CB . GLU A 1 244 ? 31.064 15.534 2.234 1.00 44.38 ? 244 GLU A CB 1 ATOM 1762 C CG . GLU A 1 244 ? 31.552 14.488 1.241 1.00 45.80 ? 244 GLU A CG 1 ATOM 1763 C CD . GLU A 1 244 ? 32.754 14.942 0.435 1.00 47.13 ? 244 GLU A CD 1 ATOM 1764 O OE1 . GLU A 1 244 ? 33.913 15.012 0.843 1.00 46.65 ? 244 GLU A OE1 1 ATOM 1765 O OE2 . GLU A 1 244 ? 32.392 15.245 -0.731 1.00 47.72 ? 244 GLU A OE2 1 ATOM 1766 N N . ALA A 1 245 ? 31.099 16.502 4.934 1.00 42.66 ? 245 ALA A N 1 ATOM 1767 C CA . ALA A 1 245 ? 31.699 16.789 6.247 1.00 44.04 ? 245 ALA A CA 1 ATOM 1768 C C . ALA A 1 245 ? 30.602 17.085 7.252 1.00 45.44 ? 245 ALA A C 1 ATOM 1769 O O . ALA A 1 245 ? 30.524 18.225 7.748 1.00 46.42 ? 245 ALA A O 1 ATOM 1770 C CB . ALA A 1 245 ? 32.565 18.029 5.997 1.00 45.17 ? 245 ALA A CB 1 ATOM 1771 N N . LEU A 1 246 ? 29.771 16.093 7.535 1.00 46.11 ? 246 LEU A N 1 ATOM 1772 C CA . LEU A 1 246 ? 28.649 16.311 8.470 1.00 46.22 ? 246 LEU A CA 1 ATOM 1773 C C . LEU A 1 246 ? 27.898 15.052 8.870 1.00 46.99 ? 246 LEU A C 1 ATOM 1774 O O . LEU A 1 246 ? 27.811 14.815 10.108 1.00 49.43 ? 246 LEU A O 1 ATOM 1775 C CB . LEU A 1 246 ? 27.821 17.375 7.708 1.00 43.12 ? 246 LEU A CB 1 ATOM 1776 C CG . LEU A 1 246 ? 27.026 18.439 8.431 1.00 41.86 ? 246 LEU A CG 1 ATOM 1777 C CD1 . LEU A 1 246 ? 27.910 19.470 9.144 1.00 39.03 ? 246 LEU A CD1 1 ATOM 1778 C CD2 . LEU A 1 246 ? 26.120 19.145 7.408 1.00 40.45 ? 246 LEU A CD2 1 ATOM 1779 N N . GLY A 1 247 ? 27.367 14.263 7.957 1.00 45.24 ? 247 GLY A N 1 ATOM 1780 C CA . GLY A 1 247 ? 26.622 13.038 8.349 1.00 44.49 ? 247 GLY A CA 1 ATOM 1781 C C . GLY A 1 247 ? 26.269 12.382 7.017 1.00 43.49 ? 247 GLY A C 1 ATOM 1782 O O . GLY A 1 247 ? 26.429 11.200 6.787 1.00 43.54 ? 247 GLY A O 1 ATOM 1783 N N . ALA A 1 248 ? 25.785 13.219 6.150 1.00 99.99 ? 248 ALA A N 1 ATOM 1784 C CA . ALA A 1 248 ? 25.401 12.926 4.794 1.00 99.99 ? 248 ALA A CA 1 ATOM 1785 C C . ALA A 1 248 ? 24.159 12.125 4.500 1.00 99.99 ? 248 ALA A C 1 ATOM 1786 O O . ALA A 1 248 ? 23.059 12.449 4.973 1.00 99.99 ? 248 ALA A O 1 ATOM 1787 C CB . ALA A 1 248 ? 26.633 12.236 4.148 1.00 99.99 ? 248 ALA A CB 1 ATOM 1788 N N . LYS A 1 249 ? 24.380 11.115 3.700 1.00 99.99 ? 249 LYS A N 1 ATOM 1789 C CA . LYS A 1 249 ? 23.372 10.181 3.212 1.00 99.99 ? 249 LYS A CA 1 ATOM 1790 C C . LYS A 1 249 ? 22.614 11.035 2.181 1.00 99.99 ? 249 LYS A C 1 ATOM 1791 O O . LYS A 1 249 ? 21.608 11.711 2.375 1.00 99.99 ? 249 LYS A O 1 ATOM 1792 C CB . LYS A 1 249 ? 22.530 9.486 4.252 1.00 99.99 ? 249 LYS A CB 1 ATOM 1793 C CG . LYS A 1 249 ? 23.369 8.968 5.433 1.00 99.99 ? 249 LYS A CG 1 ATOM 1794 C CD . LYS A 1 249 ? 23.698 7.499 5.297 1.00 99.99 ? 249 LYS A CD 1 ATOM 1795 C CE . LYS A 1 249 ? 22.590 6.593 5.820 1.00 99.99 ? 249 LYS A CE 1 ATOM 1796 N NZ . LYS A 1 249 ? 22.689 5.262 5.163 1.00 99.99 ? 249 LYS A NZ 1 ATOM 1797 N N . LYS A 1 250 ? 23.225 10.959 1.015 1.00 99.99 ? 250 LYS A N 1 ATOM 1798 C CA . LYS A 1 250 ? 22.904 11.561 -0.271 1.00 99.99 ? 250 LYS A CA 1 ATOM 1799 C C . LYS A 1 250 ? 21.546 11.011 -0.763 1.00 99.99 ? 250 LYS A C 1 ATOM 1800 O O . LYS A 1 250 ? 21.215 9.816 -0.728 1.00 99.99 ? 250 LYS A O 1 ATOM 1801 C CB . LYS A 1 250 ? 23.997 11.266 -1.288 1.00 99.99 ? 250 LYS A CB 1 ATOM 1802 C CG . LYS A 1 250 ? 24.322 12.362 -2.303 1.00 99.99 ? 250 LYS A CG 1 ATOM 1803 C CD . LYS A 1 250 ? 25.710 12.947 -2.073 1.00 99.99 ? 250 LYS A CD 1 ATOM 1804 C CE . LYS A 1 250 ? 26.811 12.382 -2.946 1.00 99.99 ? 250 LYS A CE 1 ATOM 1805 N NZ . LYS A 1 250 ? 28.178 12.862 -2.568 1.00 99.99 ? 250 LYS A NZ 1 ATOM 1806 N N . ARG A 1 251 ? 20.774 11.980 -1.223 1.00 99.99 ? 251 ARG A N 1 ATOM 1807 C CA . ARG A 1 251 ? 19.411 11.778 -1.745 1.00 99.99 ? 251 ARG A CA 1 ATOM 1808 C C . ARG A 1 251 ? 18.614 10.991 -0.706 1.00 99.99 ? 251 ARG A C 1 ATOM 1809 O O . ARG A 1 251 ? 18.776 11.255 0.510 1.00 99.99 ? 251 ARG A O 1 ATOM 1810 C CB . ARG A 1 251 ? 19.440 11.212 -3.161 1.00 99.99 ? 251 ARG A CB 1 ATOM 1811 C CG . ARG A 1 251 ? 19.694 12.294 -4.222 1.00 99.99 ? 251 ARG A CG 1 ATOM 1812 C CD . ARG A 1 251 ? 18.424 12.748 -4.878 1.00 99.99 ? 251 ARG A CD 1 ATOM 1813 N NE . ARG A 1 251 ? 17.367 12.994 -3.925 1.00 99.99 ? 251 ARG A NE 1 ATOM 1814 C CZ . ARG A 1 251 ? 16.208 13.633 -3.984 1.00 99.99 ? 251 ARG A CZ 1 ATOM 1815 N NH1 . ARG A 1 251 ? 15.824 14.405 -4.997 1.00 99.99 ? 251 ARG A NH1 1 ATOM 1816 N NH2 . ARG A 1 251 ? 15.379 13.462 -2.940 1.00 99.99 ? 251 ARG A NH2 1 ATOM 1817 N N . LEU A 1 252 ? 17.775 10.057 -1.107 1.00 99.99 ? 252 LEU A N 1 ATOM 1818 C CA . LEU A 1 252 ? 16.987 9.279 -0.137 1.00 99.99 ? 252 LEU A CA 1 ATOM 1819 C C . LEU A 1 252 ? 16.263 10.223 0.822 1.00 99.99 ? 252 LEU A C 1 ATOM 1820 O O . LEU A 1 252 ? 16.294 10.405 2.037 1.00 99.99 ? 252 LEU A O 1 ATOM 1821 C CB . LEU A 1 252 ? 17.862 8.207 0.510 1.00 99.99 ? 252 LEU A CB 1 ATOM 1822 C CG . LEU A 1 252 ? 17.534 6.858 -0.152 1.00 99.99 ? 252 LEU A CG 1 ATOM 1823 C CD1 . LEU A 1 252 ? 18.794 6.008 -0.234 1.00 99.99 ? 252 LEU A CD1 1 ATOM 1824 C CD2 . LEU A 1 252 ? 16.418 6.173 0.640 1.00 99.99 ? 252 LEU A CD2 1 ATOM 1825 N N . PHE A 1 253 ? 15.442 10.955 0.123 1.00 99.99 ? 253 PHE A N 1 ATOM 1826 C CA . PHE A 1 253 ? 14.476 12.023 0.324 1.00 99.99 ? 253 PHE A CA 1 ATOM 1827 C C . PHE A 1 253 ? 14.914 13.065 1.349 1.00 99.99 ? 253 PHE A C 1 ATOM 1828 O O . PHE A 1 253 ? 14.719 13.489 2.472 1.00 99.99 ? 253 PHE A O 1 ATOM 1829 C CB . PHE A 1 253 ? 13.019 11.519 0.251 1.00 99.99 ? 253 PHE A CB 1 ATOM 1830 C CG . PHE A 1 253 ? 12.944 11.343 -1.267 1.00 99.99 ? 253 PHE A CG 1 ATOM 1831 C CD1 . PHE A 1 253 ? 12.572 12.416 -2.073 1.00 99.99 ? 253 PHE A CD1 1 ATOM 1832 C CD2 . PHE A 1 253 ? 13.301 10.103 -1.807 1.00 99.99 ? 253 PHE A CD2 1 ATOM 1833 C CE1 . PHE A 1 253 ? 12.533 12.228 -3.461 1.00 99.99 ? 253 PHE A CE1 1 ATOM 1834 C CE2 . PHE A 1 253 ? 13.266 9.915 -3.177 1.00 99.99 ? 253 PHE A CE2 1 ATOM 1835 C CZ . PHE A 1 253 ? 12.881 10.975 -4.001 1.00 99.99 ? 253 PHE A CZ 1 ATOM 1836 N N . ASP A 1 254 ? 15.840 13.744 0.726 1.00 99.99 ? 254 ASP A N 1 ATOM 1837 C CA . ASP A 1 254 ? 16.796 14.780 0.696 1.00 99.99 ? 254 ASP A CA 1 ATOM 1838 C C . ASP A 1 254 ? 17.679 15.048 1.906 1.00 99.99 ? 254 ASP A C 1 ATOM 1839 O O . ASP A 1 254 ? 17.300 15.714 2.870 1.00 99.99 ? 254 ASP A O 1 ATOM 1840 C CB . ASP A 1 254 ? 16.126 16.060 0.132 1.00 99.99 ? 254 ASP A CB 1 ATOM 1841 C CG . ASP A 1 254 ? 16.763 16.153 -1.263 1.00 99.99 ? 254 ASP A CG 1 ATOM 1842 O OD1 . ASP A 1 254 ? 17.956 15.756 -1.293 1.00 99.99 ? 254 ASP A OD1 1 ATOM 1843 O OD2 . ASP A 1 254 ? 16.138 16.569 -2.245 1.00 99.99 ? 254 ASP A OD2 1 ATOM 1844 N N . TYR A 1 255 ? 18.867 14.480 1.703 1.00 58.20 ? 255 TYR A N 1 ATOM 1845 C CA . TYR A 1 255 ? 19.948 14.564 2.707 1.00 57.21 ? 255 TYR A CA 1 ATOM 1846 C C . TYR A 1 255 ? 19.310 14.136 4.027 1.00 56.81 ? 255 TYR A C 1 ATOM 1847 O O . TYR A 1 255 ? 18.561 14.886 4.676 1.00 57.44 ? 255 TYR A O 1 ATOM 1848 C CB . TYR A 1 255 ? 20.545 15.945 2.672 1.00 56.73 ? 255 TYR A CB 1 ATOM 1849 C CG . TYR A 1 255 ? 21.545 16.178 1.569 1.00 57.14 ? 255 TYR A CG 1 ATOM 1850 C CD1 . TYR A 1 255 ? 22.812 15.598 1.629 1.00 56.20 ? 255 TYR A CD1 1 ATOM 1851 C CD2 . TYR A 1 255 ? 21.220 16.987 0.467 1.00 57.04 ? 255 TYR A CD2 1 ATOM 1852 C CE1 . TYR A 1 255 ? 23.748 15.818 0.623 1.00 56.11 ? 255 TYR A CE1 1 ATOM 1853 C CE2 . TYR A 1 255 ? 22.156 17.210 -0.547 1.00 56.69 ? 255 TYR A CE2 1 ATOM 1854 C CZ . TYR A 1 255 ? 23.421 16.624 -0.457 1.00 56.57 ? 255 TYR A CZ 1 ATOM 1855 O OH . TYR A 1 255 ? 24.365 16.815 -1.428 1.00 57.21 ? 255 TYR A OH 1 ATOM 1856 N N . VAL A 1 256 ? 19.622 12.905 4.384 1.00 55.46 ? 256 VAL A N 1 ATOM 1857 C CA . VAL A 1 256 ? 19.062 12.320 5.621 1.00 54.22 ? 256 VAL A CA 1 ATOM 1858 C C . VAL A 1 256 ? 20.176 11.843 6.521 1.00 54.83 ? 256 VAL A C 1 ATOM 1859 O O . VAL A 1 256 ? 21.095 11.216 5.972 1.00 54.76 ? 256 VAL A O 1 ATOM 1860 C CB . VAL A 1 256 ? 18.055 11.286 5.059 1.00 52.57 ? 256 VAL A CB 1 ATOM 1861 C CG1 . VAL A 1 256 ? 18.700 10.008 4.535 1.00 51.20 ? 256 VAL A CG1 1 ATOM 1862 C CG2 . VAL A 1 256 ? 16.917 11.005 6.024 1.00 52.33 ? 256 VAL A CG2 1 ATOM 1863 N N . VAL A 1 257 ? 20.082 12.132 7.809 1.00 55.34 ? 257 VAL A N 1 ATOM 1864 C CA . VAL A 1 257 ? 21.147 11.667 8.709 1.00 56.30 ? 257 VAL A CA 1 ATOM 1865 C C . VAL A 1 257 ? 20.587 10.775 9.819 1.00 57.18 ? 257 VAL A C 1 ATOM 1866 O O . VAL A 1 257 ? 19.397 10.540 10.043 1.00 58.14 ? 257 VAL A O 1 ATOM 1867 C CB . VAL A 1 257 ? 21.993 12.842 9.221 1.00 56.05 ? 257 VAL A CB 1 ATOM 1868 C CG1 . VAL A 1 257 ? 21.550 13.467 10.528 1.00 55.61 ? 257 VAL A CG1 1 ATOM 1869 C CG2 . VAL A 1 257 ? 23.440 12.379 9.347 1.00 55.87 ? 257 VAL A CG2 1 ATOM 1870 N N . LYS A 1 258 ? 21.557 10.264 10.546 1.00 57.65 ? 258 LYS A N 1 ATOM 1871 C CA . LYS A 1 258 ? 21.438 9.371 11.704 1.00 57.22 ? 258 LYS A CA 1 ATOM 1872 C C . LYS A 1 258 ? 20.758 10.178 12.791 1.00 56.98 ? 258 LYS A C 1 ATOM 1873 O O . LYS A 1 258 ? 21.137 11.343 13.012 1.00 57.60 ? 258 LYS A O 1 ATOM 1874 C CB . LYS A 1 258 ? 22.809 8.823 12.073 1.00 57.27 ? 258 LYS A CB 1 ATOM 1875 C CG . LYS A 1 258 ? 23.983 9.728 11.683 1.00 57.16 ? 258 LYS A CG 1 ATOM 1876 C CD . LYS A 1 258 ? 24.483 9.570 10.265 1.00 57.43 ? 258 LYS A CD 1 ATOM 1877 C CE . LYS A 1 258 ? 25.921 10.077 10.120 1.00 57.79 ? 258 LYS A CE 1 ATOM 1878 N NZ . LYS A 1 258 ? 26.789 9.083 9.428 1.00 57.47 ? 258 LYS A NZ 1 ATOM 1879 N N . CYS A 1 259 ? 19.792 9.566 13.421 1.00 56.72 ? 259 CYS A N 1 ATOM 1880 C CA . CYS A 1 259 ? 19.054 10.283 14.475 1.00 57.04 ? 259 CYS A CA 1 ATOM 1881 C C . CYS A 1 259 ? 19.699 10.240 15.837 1.00 58.29 ? 259 CYS A C 1 ATOM 1882 O O . CYS A 1 259 ? 19.421 11.145 16.646 1.00 59.10 ? 259 CYS A O 1 ATOM 1883 C CB . CYS A 1 259 ? 17.635 9.706 14.397 1.00 55.39 ? 259 CYS A CB 1 ATOM 1884 S SG . CYS A 1 259 ? 16.737 9.960 12.874 1.00 56.68 ? 259 CYS A SG 1 ATOM 1885 N N . ASN A 1 260 ? 20.513 9.232 16.063 1.00 59.29 ? 260 ASN A N 1 ATOM 1886 C CA . ASN A 1 260 ? 21.197 9.077 17.367 1.00 60.43 ? 260 ASN A CA 1 ATOM 1887 C C . ASN A 1 260 ? 22.171 10.248 17.463 1.00 61.15 ? 260 ASN A C 1 ATOM 1888 O O . ASN A 1 260 ? 22.312 10.897 18.517 1.00 61.16 ? 260 ASN A O 1 ATOM 1889 C CB . ASN A 1 260 ? 21.720 7.650 17.464 1.00 62.54 ? 260 ASN A CB 1 ATOM 1890 C CG . ASN A 1 260 ? 20.693 6.755 18.160 1.00 64.26 ? 260 ASN A CG 1 ATOM 1891 O OD1 . ASN A 1 260 ? 21.020 5.947 19.050 1.00 65.11 ? 260 ASN A OD1 1 ATOM 1892 N ND2 . ASN A 1 260 ? 19.426 6.903 17.754 1.00 65.17 ? 260 ASN A ND2 1 ATOM 1893 N N . GLU A 1 261 ? 22.808 10.479 16.319 1.00 61.42 ? 261 GLU A N 1 ATOM 1894 C CA . GLU A 1 261 ? 23.792 11.568 16.203 1.00 61.48 ? 261 GLU A CA 1 ATOM 1895 C C . GLU A 1 261 ? 23.214 12.709 15.389 1.00 60.90 ? 261 GLU A C 1 ATOM 1896 O O . GLU A 1 261 ? 23.515 12.928 14.209 1.00 61.54 ? 261 GLU A O 1 ATOM 1897 C CB . GLU A 1 261 ? 25.103 11.091 15.582 1.00 63.94 ? 261 GLU A CB 1 ATOM 1898 C CG . GLU A 1 261 ? 25.943 10.314 16.585 1.00 66.20 ? 261 GLU A CG 1 ATOM 1899 C CD . GLU A 1 261 ? 27.112 9.476 16.226 1.00 66.31 ? 261 GLU A CD 1 ATOM 1900 O OE1 . GLU A 1 261 ? 27.748 9.831 15.220 1.00 66.61 ? 261 GLU A OE1 1 ATOM 1901 O OE2 . GLU A 1 261 ? 27.399 8.505 16.915 1.00 67.77 ? 261 GLU A OE2 1 ATOM 1902 N N . GLY A 1 262 ? 22.357 13.423 16.090 1.00 59.12 ? 262 GLY A N 1 ATOM 1903 C CA . GLY A 1 262 ? 21.623 14.609 15.596 1.00 55.74 ? 262 GLY A CA 1 ATOM 1904 C C . GLY A 1 262 ? 22.221 15.685 16.508 1.00 54.52 ? 262 GLY A C 1 ATOM 1905 O O . GLY A 1 262 ? 22.881 16.574 15.987 1.00 55.14 ? 262 GLY A O 1 ATOM 1906 N N . PRO A 1 263 ? 21.977 15.527 17.795 1.00 53.29 ? 263 PRO A N 1 ATOM 1907 C CA . PRO A 1 263 ? 22.474 16.454 18.827 1.00 51.50 ? 263 PRO A CA 1 ATOM 1908 C C . PRO A 1 263 ? 23.961 16.713 18.641 1.00 49.69 ? 263 PRO A C 1 ATOM 1909 O O . PRO A 1 263 ? 24.497 17.803 18.844 1.00 49.11 ? 263 PRO A O 1 ATOM 1910 C CB . PRO A 1 263 ? 22.099 15.770 20.134 1.00 51.67 ? 263 PRO A CB 1 ATOM 1911 C CG . PRO A 1 263 ? 20.825 15.045 19.770 1.00 52.01 ? 263 PRO A CG 1 ATOM 1912 C CD . PRO A 1 263 ? 21.184 14.444 18.410 1.00 53.44 ? 263 PRO A CD 1 ATOM 1913 N N . THR A 1 264 ? 24.606 15.647 18.235 1.00 47.00 ? 264 THR A N 1 ATOM 1914 C CA . THR A 1 264 ? 25.995 15.413 17.909 1.00 44.18 ? 264 THR A CA 1 ATOM 1915 C C . THR A 1 264 ? 26.567 16.213 16.731 1.00 41.13 ? 264 THR A C 1 ATOM 1916 O O . THR A 1 264 ? 27.780 16.547 16.752 1.00 41.16 ? 264 THR A O 1 ATOM 1917 C CB . THR A 1 264 ? 26.105 13.844 17.584 1.00 45.65 ? 264 THR A CB 1 ATOM 1918 O OG1 . THR A 1 264 ? 25.806 13.146 18.844 1.00 47.01 ? 264 THR A OG1 1 ATOM 1919 C CG2 . THR A 1 264 ? 27.414 13.391 16.938 1.00 45.84 ? 264 THR A CG2 1 ATOM 1920 N N . LEU A 1 265 ? 25.768 16.522 15.714 1.00 36.41 ? 265 LEU A N 1 ATOM 1921 C CA . LEU A 1 265 ? 26.223 17.280 14.557 1.00 32.98 ? 265 LEU A CA 1 ATOM 1922 C C . LEU A 1 265 ? 26.788 18.631 15.005 1.00 32.68 ? 265 LEU A C 1 ATOM 1923 O O . LEU A 1 265 ? 26.315 19.152 16.028 1.00 32.35 ? 265 LEU A O 1 ATOM 1924 C CB . LEU A 1 265 ? 25.074 17.518 13.587 1.00 31.44 ? 265 LEU A CB 1 ATOM 1925 C CG . LEU A 1 265 ? 25.013 16.708 12.318 1.00 31.60 ? 265 LEU A CG 1 ATOM 1926 C CD1 . LEU A 1 265 ? 25.409 15.259 12.599 1.00 32.64 ? 265 LEU A CD1 1 ATOM 1927 C CD2 . LEU A 1 265 ? 23.575 16.763 11.802 1.00 31.06 ? 265 LEU A CD2 1 ATOM 1928 N N . PRO A 1 266 ? 27.738 19.136 14.239 1.00 31.38 ? 266 PRO A N 1 ATOM 1929 C CA . PRO A 1 266 ? 28.376 20.415 14.511 1.00 30.06 ? 266 PRO A CA 1 ATOM 1930 C C . PRO A 1 266 ? 27.546 21.624 14.111 1.00 29.51 ? 266 PRO A C 1 ATOM 1931 O O . PRO A 1 266 ? 26.440 21.529 13.549 1.00 29.80 ? 266 PRO A O 1 ATOM 1932 C CB . PRO A 1 266 ? 29.648 20.345 13.653 1.00 30.39 ? 266 PRO A CB 1 ATOM 1933 C CG . PRO A 1 266 ? 29.252 19.510 12.456 1.00 31.18 ? 266 PRO A CG 1 ATOM 1934 C CD . PRO A 1 266 ? 28.278 18.478 13.016 1.00 31.91 ? 266 PRO A CD 1 ATOM 1935 N N . ASP A 1 267 ? 28.088 22.795 14.383 1.00 27.77 ? 267 ASP A N 1 ATOM 1936 C CA . ASP A 1 267 ? 27.420 24.069 14.033 1.00 27.17 ? 267 ASP A CA 1 ATOM 1937 C C . ASP A 1 267 ? 27.744 24.391 12.564 1.00 26.28 ? 267 ASP A C 1 ATOM 1938 O O . ASP A 1 267 ? 28.696 23.856 11.955 1.00 26.43 ? 267 ASP A O 1 ATOM 1939 C CB . ASP A 1 267 ? 27.793 25.126 15.068 1.00 26.98 ? 267 ASP A CB 1 ATOM 1940 C CG . ASP A 1 267 ? 27.225 24.736 16.430 1.00 29.28 ? 267 ASP A CG 1 ATOM 1941 O OD1 . ASP A 1 267 ? 26.780 23.580 16.617 1.00 31.97 ? 267 ASP A OD1 1 ATOM 1942 O OD2 . ASP A 1 267 ? 27.232 25.622 17.304 1.00 28.59 ? 267 ASP A OD2 1 ATOM 1943 N N . ILE A 1 268 ? 26.952 25.264 11.995 1.00 24.07 ? 268 ILE A N 1 ATOM 1944 C CA . ILE A 1 268 ? 27.029 25.751 10.628 1.00 23.12 ? 268 ILE A CA 1 ATOM 1945 C C . ILE A 1 268 ? 26.872 27.291 10.746 1.00 23.59 ? 268 ILE A C 1 ATOM 1946 O O . ILE A 1 268 ? 25.843 27.839 11.199 1.00 22.87 ? 268 ILE A O 1 ATOM 1947 C CB . ILE A 1 268 ? 26.059 25.120 9.584 1.00 21.96 ? 268 ILE A CB 1 ATOM 1948 C CG1 . ILE A 1 268 ? 26.083 23.580 9.545 1.00 21.67 ? 268 ILE A CG1 1 ATOM 1949 C CG2 . ILE A 1 268 ? 26.416 25.793 8.218 1.00 23.46 ? 268 ILE A CG2 1 ATOM 1950 C CD1 . ILE A 1 268 ? 25.601 22.858 8.249 1.00 17.08 ? 268 ILE A CD1 1 ATOM 1951 N N . SER A 1 269 ? 27.969 27.910 10.317 1.00 22.37 ? 269 SER A N 1 ATOM 1952 C CA . SER A 1 269 ? 28.126 29.363 10.337 1.00 21.37 ? 269 SER A CA 1 ATOM 1953 C C . SER A 1 269 ? 28.432 30.070 9.022 1.00 20.36 ? 269 SER A C 1 ATOM 1954 O O . SER A 1 269 ? 29.320 29.705 8.238 1.00 22.35 ? 269 SER A O 1 ATOM 1955 C CB . SER A 1 269 ? 29.275 29.681 11.313 1.00 19.68 ? 269 SER A CB 1 ATOM 1956 O OG . SER A 1 269 ? 28.849 29.107 12.530 1.00 16.05 ? 269 SER A OG 1 ATOM 1957 N N . PHE A 1 270 ? 27.670 31.105 8.854 1.00 17.33 ? 270 PHE A N 1 ATOM 1958 C CA . PHE A 1 270 ? 27.648 32.001 7.713 1.00 17.85 ? 270 PHE A CA 1 ATOM 1959 C C . PHE A 1 270 ? 28.388 33.240 8.122 1.00 19.83 ? 270 PHE A C 1 ATOM 1960 O O . PHE A 1 270 ? 28.038 33.730 9.191 1.00 23.20 ? 270 PHE A O 1 ATOM 1961 C CB . PHE A 1 270 ? 26.164 32.207 7.303 1.00 14.50 ? 270 PHE A CB 1 ATOM 1962 C CG . PHE A 1 270 ? 25.556 30.873 6.925 1.00 11.40 ? 270 PHE A CG 1 ATOM 1963 C CD1 . PHE A 1 270 ? 25.087 30.003 7.900 1.00 8.00 ? 270 PHE A CD1 1 ATOM 1964 C CD2 . PHE A 1 270 ? 25.490 30.501 5.572 1.00 12.69 ? 270 PHE A CD2 1 ATOM 1965 C CE1 . PHE A 1 270 ? 24.548 28.782 7.541 1.00 8.58 ? 270 PHE A CE1 1 ATOM 1966 C CE2 . PHE A 1 270 ? 24.953 29.261 5.202 1.00 11.34 ? 270 PHE A CE2 1 ATOM 1967 C CZ . PHE A 1 270 ? 24.485 28.398 6.208 1.00 8.36 ? 270 PHE A CZ 1 ATOM 1968 N N . HIS A 1 271 ? 29.324 33.688 7.353 1.00 20.01 ? 271 HIS A N 1 ATOM 1969 C CA . HIS A 1 271 ? 30.072 34.898 7.698 1.00 22.43 ? 271 HIS A CA 1 ATOM 1970 C C . HIS A 1 271 ? 29.424 36.018 6.877 1.00 22.49 ? 271 HIS A C 1 ATOM 1971 O O . HIS A 1 271 ? 29.682 36.151 5.654 1.00 21.55 ? 271 HIS A O 1 ATOM 1972 C CB . HIS A 1 271 ? 31.582 34.710 7.446 1.00 25.93 ? 271 HIS A CB 1 ATOM 1973 C CG . HIS A 1 271 ? 32.333 35.873 8.000 1.00 29.04 ? 271 HIS A CG 1 ATOM 1974 N ND1 . HIS A 1 271 ? 33.103 36.718 7.241 1.00 32.36 ? 271 HIS A ND1 1 ATOM 1975 C CD2 . HIS A 1 271 ? 32.403 36.314 9.275 1.00 29.65 ? 271 HIS A CD2 1 ATOM 1976 C CE1 . HIS A 1 271 ? 33.626 37.644 8.054 1.00 32.57 ? 271 HIS A CE1 1 ATOM 1977 N NE2 . HIS A 1 271 ? 33.216 37.412 9.286 1.00 31.29 ? 271 HIS A NE2 1 ATOM 1978 N N . LEU A 1 272 ? 28.598 36.780 7.576 1.00 21.44 ? 272 LEU A N 1 ATOM 1979 C CA . LEU A 1 272 ? 27.864 37.891 6.963 1.00 21.32 ? 272 LEU A CA 1 ATOM 1980 C C . LEU A 1 272 ? 28.217 39.245 7.567 1.00 21.69 ? 272 LEU A C 1 ATOM 1981 O O . LEU A 1 272 ? 27.874 39.554 8.704 1.00 21.50 ? 272 LEU A O 1 ATOM 1982 C CB . LEU A 1 272 ? 26.326 37.775 7.078 1.00 16.76 ? 272 LEU A CB 1 ATOM 1983 C CG . LEU A 1 272 ? 25.831 36.475 6.506 1.00 18.17 ? 272 LEU A CG 1 ATOM 1984 C CD1 . LEU A 1 272 ? 25.168 35.626 7.576 1.00 18.57 ? 272 LEU A CD1 1 ATOM 1985 C CD2 . LEU A 1 272 ? 24.886 36.858 5.390 1.00 19.67 ? 272 LEU A CD2 1 ATOM 1986 N N . GLY A 1 273 ? 28.878 39.969 6.720 1.00 23.41 ? 273 GLY A N 1 ATOM 1987 C CA . GLY A 1 273 ? 29.342 41.318 7.019 1.00 25.93 ? 273 GLY A CA 1 ATOM 1988 C C . GLY A 1 273 ? 29.852 41.506 8.434 1.00 26.41 ? 273 GLY A C 1 ATOM 1989 O O . GLY A 1 273 ? 29.214 42.282 9.142 1.00 26.40 ? 273 GLY A O 1 ATOM 1990 N N . GLY A 1 274 ? 30.929 40.820 8.777 1.00 28.23 ? 274 GLY A N 1 ATOM 1991 C CA . GLY A 1 274 ? 31.470 40.985 10.133 1.00 29.08 ? 274 GLY A CA 1 ATOM 1992 C C . GLY A 1 274 ? 31.163 39.830 11.048 1.00 28.51 ? 274 GLY A C 1 ATOM 1993 O O . GLY A 1 274 ? 31.986 38.951 11.277 1.00 30.22 ? 274 GLY A O 1 ATOM 1994 N N . LYS A 1 275 ? 29.984 39.846 11.586 1.00 28.29 ? 275 LYS A N 1 ATOM 1995 C CA . LYS A 1 275 ? 29.538 38.786 12.512 1.00 27.30 ? 275 LYS A CA 1 ATOM 1996 C C . LYS A 1 275 ? 29.507 37.439 11.823 1.00 24.25 ? 275 LYS A C 1 ATOM 1997 O O . LYS A 1 275 ? 29.626 37.296 10.605 1.00 23.02 ? 275 LYS A O 1 ATOM 1998 C CB . LYS A 1 275 ? 28.174 39.320 12.995 1.00 30.09 ? 275 LYS A CB 1 ATOM 1999 C CG . LYS A 1 275 ? 28.399 40.455 14.012 1.00 32.77 ? 275 LYS A CG 1 ATOM 2000 C CD . LYS A 1 275 ? 28.683 41.818 13.404 1.00 35.96 ? 275 LYS A CD 1 ATOM 2001 C CE . LYS A 1 275 ? 30.121 42.307 13.489 1.00 37.27 ? 275 LYS A CE 1 ATOM 2002 N NZ . LYS A 1 275 ? 30.186 43.807 13.482 1.00 37.96 ? 275 LYS A NZ 1 ATOM 2003 N N . GLU A 1 276 ? 29.347 36.415 12.623 1.00 23.61 ? 276 GLU A N 1 ATOM 2004 C CA . GLU A 1 276 ? 29.238 35.011 12.204 1.00 22.49 ? 276 GLU A CA 1 ATOM 2005 C C . GLU A 1 276 ? 27.803 34.649 12.567 1.00 20.06 ? 276 GLU A C 1 ATOM 2006 O O . GLU A 1 276 ? 27.402 34.879 13.725 1.00 20.66 ? 276 GLU A O 1 ATOM 2007 C CB . GLU A 1 276 ? 30.298 34.107 12.817 1.00 26.01 ? 276 GLU A CB 1 ATOM 2008 C CG . GLU A 1 276 ? 30.862 33.075 11.799 1.00 29.01 ? 276 GLU A CG 1 ATOM 2009 C CD . GLU A 1 276 ? 32.108 33.428 11.036 1.00 31.31 ? 276 GLU A CD 1 ATOM 2010 O OE1 . GLU A 1 276 ? 32.840 34.382 11.318 1.00 33.11 ? 276 GLU A OE1 1 ATOM 2011 O OE2 . GLU A 1 276 ? 32.404 32.700 10.052 1.00 31.73 ? 276 GLU A OE2 1 ATOM 2012 N N . TYR A 1 277 ? 26.971 34.148 11.702 1.00 17.57 ? 277 TYR A N 1 ATOM 2013 C CA . TYR A 1 277 ? 25.574 33.772 11.973 1.00 14.98 ? 277 TYR A CA 1 ATOM 2014 C C . TYR A 1 277 ? 25.596 32.259 12.047 1.00 14.89 ? 277 TYR A C 1 ATOM 2015 O O . TYR A 1 277 ? 25.696 31.617 10.998 1.00 12.30 ? 277 TYR A O 1 ATOM 2016 C CB . TYR A 1 277 ? 24.560 34.253 10.908 1.00 12.93 ? 277 TYR A CB 1 ATOM 2017 C CG . TYR A 1 277 ? 24.561 35.750 11.113 1.00 13.04 ? 277 TYR A CG 1 ATOM 2018 C CD1 . TYR A 1 277 ? 25.576 36.530 10.564 1.00 10.37 ? 277 TYR A CD1 1 ATOM 2019 C CD2 . TYR A 1 277 ? 23.579 36.365 11.892 1.00 12.68 ? 277 TYR A CD2 1 ATOM 2020 C CE1 . TYR A 1 277 ? 25.577 37.903 10.770 1.00 12.36 ? 277 TYR A CE1 1 ATOM 2021 C CE2 . TYR A 1 277 ? 23.590 37.746 12.105 1.00 10.54 ? 277 TYR A CE2 1 ATOM 2022 C CZ . TYR A 1 277 ? 24.591 38.515 11.541 1.00 11.10 ? 277 TYR A CZ 1 ATOM 2023 O OH . TYR A 1 277 ? 24.610 39.856 11.733 1.00 10.82 ? 277 TYR A OH 1 ATOM 2024 N N . THR A 1 278 ? 25.494 31.787 13.293 1.00 16.70 ? 278 THR A N 1 ATOM 2025 C CA . THR A 1 278 ? 25.518 30.294 13.406 1.00 17.04 ? 278 THR A CA 1 ATOM 2026 C C . THR A 1 278 ? 24.234 29.726 13.976 1.00 15.87 ? 278 THR A C 1 ATOM 2027 O O . THR A 1 278 ? 23.729 30.299 14.916 1.00 14.79 ? 278 THR A O 1 ATOM 2028 C CB . THR A 1 278 ? 26.817 29.795 14.158 1.00 15.54 ? 278 THR A CB 1 ATOM 2029 O OG1 . THR A 1 278 ? 26.562 28.640 15.036 1.00 16.16 ? 278 THR A OG1 1 ATOM 2030 C CG2 . THR A 1 278 ? 27.494 30.962 14.889 1.00 11.00 ? 278 THR A CG2 1 ATOM 2031 N N . LEU A 1 279 ? 23.847 28.653 13.360 1.00 17.56 ? 279 LEU A N 1 ATOM 2032 C CA . LEU A 1 279 ? 22.758 27.744 13.519 1.00 19.54 ? 279 LEU A CA 1 ATOM 2033 C C . LEU A 1 279 ? 23.475 26.427 13.971 1.00 22.26 ? 279 LEU A C 1 ATOM 2034 O O . LEU A 1 279 ? 24.511 25.988 13.423 1.00 22.89 ? 279 LEU A O 1 ATOM 2035 C CB . LEU A 1 279 ? 21.979 27.296 12.286 1.00 19.97 ? 279 LEU A CB 1 ATOM 2036 C CG . LEU A 1 279 ? 21.342 28.263 11.333 1.00 20.99 ? 279 LEU A CG 1 ATOM 2037 C CD1 . LEU A 1 279 ? 22.396 28.743 10.338 1.00 21.81 ? 279 LEU A CD1 1 ATOM 2038 C CD2 . LEU A 1 279 ? 20.186 27.599 10.577 1.00 21.17 ? 279 LEU A CD2 1 ATOM 2039 N N . THR A 1 280 ? 22.830 25.887 14.973 1.00 21.51 ? 280 THR A N 1 ATOM 2040 C CA . THR A 1 280 ? 23.226 24.665 15.638 1.00 21.48 ? 280 THR A CA 1 ATOM 2041 C C . THR A 1 280 ? 22.378 23.580 14.987 1.00 22.63 ? 280 THR A C 1 ATOM 2042 O O . THR A 1 280 ? 21.407 23.857 14.253 1.00 22.43 ? 280 THR A O 1 ATOM 2043 C CB . THR A 1 280 ? 22.913 24.857 17.167 1.00 21.63 ? 280 THR A CB 1 ATOM 2044 O OG1 . THR A 1 280 ? 21.455 24.924 17.161 1.00 22.18 ? 280 THR A OG1 1 ATOM 2045 C CG2 . THR A 1 280 ? 23.518 26.116 17.820 1.00 21.26 ? 280 THR A CG2 1 ATOM 2046 N N . SER A 1 281 ? 22.732 22.348 15.272 1.00 22.81 ? 281 SER A N 1 ATOM 2047 C CA . SER A 1 281 ? 22.069 21.163 14.773 1.00 25.43 ? 281 SER A CA 1 ATOM 2048 C C . SER A 1 281 ? 20.545 21.250 14.914 1.00 26.76 ? 281 SER A C 1 ATOM 2049 O O . SER A 1 281 ? 19.804 20.886 13.981 1.00 27.12 ? 281 SER A O 1 ATOM 2050 C CB . SER A 1 281 ? 22.555 20.010 15.637 1.00 28.74 ? 281 SER A CB 1 ATOM 2051 O OG . SER A 1 281 ? 22.505 20.472 16.988 1.00 31.84 ? 281 SER A OG 1 ATOM 2052 N N . ALA A 1 282 ? 20.110 21.709 16.072 1.00 25.94 ? 282 ALA A N 1 ATOM 2053 C CA . ALA A 1 282 ? 18.701 21.854 16.384 1.00 26.97 ? 282 ALA A CA 1 ATOM 2054 C C . ALA A 1 282 ? 17.933 22.809 15.482 1.00 28.04 ? 282 ALA A C 1 ATOM 2055 O O . ALA A 1 282 ? 16.700 22.859 15.576 1.00 27.19 ? 282 ALA A O 1 ATOM 2056 C CB . ALA A 1 282 ? 18.598 22.368 17.833 1.00 29.31 ? 282 ALA A CB 1 ATOM 2057 N N . ASP A 1 283 ? 18.627 23.563 14.640 1.00 29.12 ? 283 ASP A N 1 ATOM 2058 C CA . ASP A 1 283 ? 17.938 24.523 13.761 1.00 28.97 ? 283 ASP A CA 1 ATOM 2059 C C . ASP A 1 283 ? 17.709 23.971 12.359 1.00 28.97 ? 283 ASP A C 1 ATOM 2060 O O . ASP A 1 283 ? 16.798 24.493 11.693 1.00 29.34 ? 283 ASP A O 1 ATOM 2061 C CB . ASP A 1 283 ? 18.698 25.865 13.819 1.00 26.72 ? 283 ASP A CB 1 ATOM 2062 C CG . ASP A 1 283 ? 19.095 26.345 15.200 1.00 23.94 ? 283 ASP A CG 1 ATOM 2063 O OD1 . ASP A 1 283 ? 18.499 25.955 16.207 1.00 25.17 ? 283 ASP A OD1 1 ATOM 2064 O OD2 . ASP A 1 283 ? 20.017 27.147 15.473 1.00 20.91 ? 283 ASP A OD2 1 ATOM 2065 N N . TYR A 1 284 ? 18.508 22.986 11.966 1.00 29.06 ? 284 TYR A N 1 ATOM 2066 C CA . TYR A 1 284 ? 18.395 22.414 10.619 1.00 27.95 ? 284 TYR A CA 1 ATOM 2067 C C . TYR A 1 284 ? 18.222 20.914 10.486 1.00 28.35 ? 284 TYR A C 1 ATOM 2068 O O . TYR A 1 284 ? 18.085 20.421 9.355 1.00 27.32 ? 284 TYR A O 1 ATOM 2069 C CB . TYR A 1 284 ? 19.554 22.947 9.798 1.00 28.88 ? 284 TYR A CB 1 ATOM 2070 C CG . TYR A 1 284 ? 20.913 22.496 10.270 1.00 30.53 ? 284 TYR A CG 1 ATOM 2071 C CD1 . TYR A 1 284 ? 21.362 21.203 10.006 1.00 29.96 ? 284 TYR A CD1 1 ATOM 2072 C CD2 . TYR A 1 284 ? 21.746 23.366 10.961 1.00 30.69 ? 284 TYR A CD2 1 ATOM 2073 C CE1 . TYR A 1 284 ? 22.612 20.782 10.429 1.00 32.47 ? 284 TYR A CE1 1 ATOM 2074 C CE2 . TYR A 1 284 ? 23.007 22.957 11.391 1.00 33.36 ? 284 TYR A CE2 1 ATOM 2075 C CZ . TYR A 1 284 ? 23.433 21.660 11.119 1.00 33.33 ? 284 TYR A CZ 1 ATOM 2076 O OH . TYR A 1 284 ? 24.657 21.219 11.517 1.00 35.49 ? 284 TYR A OH 1 ATOM 2077 N N . VAL A 1 285 ? 18.208 20.233 11.599 1.00 29.33 ? 285 VAL A N 1 ATOM 2078 C CA . VAL A 1 285 ? 17.990 18.786 11.622 1.00 31.87 ? 285 VAL A CA 1 ATOM 2079 C C . VAL A 1 285 ? 16.533 18.795 12.149 1.00 32.41 ? 285 VAL A C 1 ATOM 2080 O O . VAL A 1 285 ? 16.231 19.468 13.148 1.00 30.77 ? 285 VAL A O 1 ATOM 2081 C CB . VAL A 1 285 ? 18.908 17.899 12.447 1.00 32.81 ? 285 VAL A CB 1 ATOM 2082 C CG1 . VAL A 1 285 ? 18.586 16.446 12.100 1.00 32.61 ? 285 VAL A CG1 1 ATOM 2083 C CG2 . VAL A 1 285 ? 20.380 18.202 12.271 1.00 32.28 ? 285 VAL A CG2 1 ATOM 2084 N N . PHE A 1 286 ? 15.716 18.069 11.443 1.00 34.51 ? 286 PHE A N 1 ATOM 2085 C CA . PHE A 1 286 ? 14.279 17.932 11.753 1.00 36.27 ? 286 PHE A CA 1 ATOM 2086 C C . PHE A 1 286 ? 14.144 16.810 12.777 1.00 39.45 ? 286 PHE A C 1 ATOM 2087 O O . PHE A 1 286 ? 13.929 15.637 12.409 1.00 38.98 ? 286 PHE A O 1 ATOM 2088 C CB . PHE A 1 286 ? 13.578 17.664 10.439 1.00 35.32 ? 286 PHE A CB 1 ATOM 2089 C CG . PHE A 1 286 ? 13.312 18.851 9.576 1.00 34.69 ? 286 PHE A CG 1 ATOM 2090 C CD1 . PHE A 1 286 ? 12.643 19.972 10.110 1.00 35.16 ? 286 PHE A CD1 1 ATOM 2091 C CD2 . PHE A 1 286 ? 13.706 18.854 8.246 1.00 33.35 ? 286 PHE A CD2 1 ATOM 2092 C CE1 . PHE A 1 286 ? 12.367 21.094 9.318 1.00 33.33 ? 286 PHE A CE1 1 ATOM 2093 C CE2 . PHE A 1 286 ? 13.444 19.953 7.433 1.00 33.96 ? 286 PHE A CE2 1 ATOM 2094 C CZ . PHE A 1 286 ? 12.780 21.062 7.970 1.00 33.71 ? 286 PHE A CZ 1 ATOM 2095 N N . CYS A 1 296 ? 15.903 10.972 9.913 1.00 48.73 ? 296 CYS A N 1 ATOM 2096 C CA . CYS A 1 296 ? 15.729 12.434 10.089 1.00 47.49 ? 296 CYS A CA 1 ATOM 2097 C C . CYS A 1 296 ? 16.238 13.380 9.043 1.00 45.52 ? 296 CYS A C 1 ATOM 2098 O O . CYS A 1 296 ? 17.447 13.397 8.778 1.00 47.19 ? 296 CYS A O 1 ATOM 2099 C CB . CYS A 1 296 ? 16.273 12.732 11.507 1.00 50.29 ? 296 CYS A CB 1 ATOM 2100 S SG . CYS A 1 296 ? 15.663 11.694 12.878 1.00 54.28 ? 296 CYS A SG 1 ATOM 2101 N N . THR A 1 297 ? 15.356 14.176 8.463 1.00 43.11 ? 297 THR A N 1 ATOM 2102 C CA . THR A 1 297 ? 15.739 15.147 7.414 1.00 40.83 ? 297 THR A CA 1 ATOM 2103 C C . THR A 1 297 ? 16.362 16.442 7.896 1.00 38.50 ? 297 THR A C 1 ATOM 2104 O O . THR A 1 297 ? 16.061 17.072 8.916 1.00 39.15 ? 297 THR A O 1 ATOM 2105 C CB . THR A 1 297 ? 14.526 15.370 6.424 1.00 41.45 ? 297 THR A CB 1 ATOM 2106 O OG1 . THR A 1 297 ? 14.493 14.148 5.597 1.00 43.05 ? 297 THR A OG1 1 ATOM 2107 C CG2 . THR A 1 297 ? 14.606 16.600 5.523 1.00 41.40 ? 297 THR A CG2 1 ATOM 2108 N N . LEU A 1 298 ? 17.314 16.866 7.099 1.00 35.76 ? 298 LEU A N 1 ATOM 2109 C CA . LEU A 1 298 ? 18.127 18.081 7.283 1.00 33.73 ? 298 LEU A CA 1 ATOM 2110 C C . LEU A 1 298 ? 17.476 19.188 6.465 1.00 32.02 ? 298 LEU A C 1 ATOM 2111 O O . LEU A 1 298 ? 17.066 18.987 5.319 1.00 31.41 ? 298 LEU A O 1 ATOM 2112 C CB . LEU A 1 298 ? 19.519 17.618 6.924 1.00 33.68 ? 298 LEU A CB 1 ATOM 2113 C CG . LEU A 1 298 ? 20.802 17.660 7.699 1.00 35.38 ? 298 LEU A CG 1 ATOM 2114 C CD1 . LEU A 1 298 ? 20.841 16.910 9.027 1.00 35.31 ? 298 LEU A CD1 1 ATOM 2115 C CD2 . LEU A 1 298 ? 21.869 16.993 6.795 1.00 35.54 ? 298 LEU A CD2 1 ATOM 2116 N N . ALA A 1 299 ? 17.368 20.352 7.052 1.00 31.54 ? 299 ALA A N 1 ATOM 2117 C CA . ALA A 1 299 ? 16.766 21.536 6.443 1.00 31.33 ? 299 ALA A CA 1 ATOM 2118 C C . ALA A 1 299 ? 17.661 22.227 5.435 1.00 31.15 ? 299 ALA A C 1 ATOM 2119 O O . ALA A 1 299 ? 17.337 23.410 5.255 1.00 32.86 ? 299 ALA A O 1 ATOM 2120 C CB . ALA A 1 299 ? 16.354 22.543 7.514 1.00 30.82 ? 299 ALA A CB 1 ATOM 2121 N N . ILE A 1 300 ? 18.643 21.595 4.840 1.00 29.91 ? 300 ILE A N 1 ATOM 2122 C CA . ILE A 1 300 ? 19.537 22.220 3.845 1.00 28.57 ? 300 ILE A CA 1 ATOM 2123 C C . ILE A 1 300 ? 19.354 21.495 2.513 1.00 28.74 ? 300 ILE A C 1 ATOM 2124 O O . ILE A 1 300 ? 19.297 20.257 2.564 1.00 29.63 ? 300 ILE A O 1 ATOM 2125 C CB . ILE A 1 300 ? 21.046 22.201 4.260 1.00 24.76 ? 300 ILE A CB 1 ATOM 2126 C CG1 . ILE A 1 300 ? 21.279 23.153 5.443 1.00 24.64 ? 300 ILE A CG1 1 ATOM 2127 C CG2 . ILE A 1 300 ? 21.937 22.485 3.037 1.00 22.76 ? 300 ILE A CG2 1 ATOM 2128 C CD1 . ILE A 1 300 ? 22.457 22.841 6.421 1.00 25.75 ? 300 ILE A CD1 1 ATOM 2129 N N . HIS A 1 301 ? 19.264 22.201 1.426 1.00 28.80 ? 301 HIS A N 1 ATOM 2130 C CA . HIS A 1 301 ? 19.068 21.572 0.115 1.00 30.46 ? 301 HIS A CA 1 ATOM 2131 C C . HIS A 1 301 ? 19.910 22.305 -0.912 1.00 29.48 ? 301 HIS A C 1 ATOM 2132 O O . HIS A 1 301 ? 20.335 23.381 -0.517 1.00 29.12 ? 301 HIS A O 1 ATOM 2133 C CB . HIS A 1 301 ? 17.611 21.696 -0.379 1.00 33.58 ? 301 HIS A CB 1 ATOM 2134 C CG . HIS A 1 301 ? 16.572 20.730 0.034 1.00 36.45 ? 301 HIS A CG 1 ATOM 2135 N ND1 . HIS A 1 301 ? 16.409 20.213 1.308 1.00 39.53 ? 301 HIS A ND1 1 ATOM 2136 C CD2 . HIS A 1 301 ? 15.579 20.170 -0.708 1.00 36.91 ? 301 HIS A CD2 1 ATOM 2137 C CE1 . HIS A 1 301 ? 15.365 19.374 1.323 1.00 38.17 ? 301 HIS A CE1 1 ATOM 2138 N NE2 . HIS A 1 301 ? 14.850 19.335 0.110 1.00 37.62 ? 301 HIS A NE2 1 ATOM 2139 N N . ALA A 1 302 ? 20.084 21.762 -2.088 1.00 29.61 ? 302 ALA A N 1 ATOM 2140 C CA . ALA A 1 302 ? 20.879 22.393 -3.148 1.00 29.35 ? 302 ALA A CA 1 ATOM 2141 C C . ALA A 1 302 ? 19.950 23.031 -4.157 1.00 28.43 ? 302 ALA A C 1 ATOM 2142 O O . ALA A 1 302 ? 18.831 22.544 -4.153 1.00 27.04 ? 302 ALA A O 1 ATOM 2143 C CB . ALA A 1 302 ? 21.719 21.352 -3.881 1.00 29.20 ? 302 ALA A CB 1 ATOM 2144 N N . MET A 1 303 ? 20.402 23.996 -4.915 1.00 31.25 ? 303 MET A N 1 ATOM 2145 C CA . MET A 1 303 ? 19.530 24.637 -5.904 1.00 35.22 ? 303 MET A CA 1 ATOM 2146 C C . MET A 1 303 ? 20.329 25.598 -6.772 1.00 36.16 ? 303 MET A C 1 ATOM 2147 O O . MET A 1 303 ? 20.226 26.828 -6.626 1.00 36.99 ? 303 MET A O 1 ATOM 2148 C CB . MET A 1 303 ? 18.304 25.337 -5.316 1.00 38.73 ? 303 MET A CB 1 ATOM 2149 C CG . MET A 1 303 ? 17.030 24.610 -5.759 1.00 41.31 ? 303 MET A CG 1 ATOM 2150 S SD . MET A 1 303 ? 15.706 25.885 -5.830 1.00 44.35 ? 303 MET A SD 1 ATOM 2151 C CE . MET A 1 303 ? 16.477 27.028 -6.984 1.00 44.14 ? 303 MET A CE 1 ATOM 2152 N N . ASP A 1 304 ? 21.091 24.974 -7.655 1.00 36.56 ? 304 ASP A N 1 ATOM 2153 C CA . ASP A 1 304 ? 21.919 25.815 -8.570 1.00 35.98 ? 304 ASP A CA 1 ATOM 2154 C C . ASP A 1 304 ? 20.898 26.832 -9.103 1.00 36.28 ? 304 ASP A C 1 ATOM 2155 O O . ASP A 1 304 ? 19.840 26.439 -9.629 1.00 34.70 ? 304 ASP A O 1 ATOM 2156 C CB . ASP A 1 304 ? 22.668 24.942 -9.548 1.00 35.93 ? 304 ASP A CB 1 ATOM 2157 C CG . ASP A 1 304 ? 23.542 23.890 -8.883 1.00 35.79 ? 304 ASP A CG 1 ATOM 2158 O OD1 . ASP A 1 304 ? 24.729 24.119 -8.575 1.00 36.09 ? 304 ASP A OD1 1 ATOM 2159 O OD2 . ASP A 1 304 ? 23.032 22.781 -8.645 1.00 36.51 ? 304 ASP A OD2 1 ATOM 2160 N N . ILE A 1 305 ? 21.262 28.090 -8.912 1.00 36.56 ? 305 ILE A N 1 ATOM 2161 C CA . ILE A 1 305 ? 20.393 29.189 -9.368 1.00 37.01 ? 305 ILE A CA 1 ATOM 2162 C C . ILE A 1 305 ? 21.161 29.859 -10.505 1.00 37.83 ? 305 ILE A C 1 ATOM 2163 O O . ILE A 1 305 ? 22.333 30.155 -10.314 1.00 37.87 ? 305 ILE A O 1 ATOM 2164 C CB . ILE A 1 305 ? 19.940 30.178 -8.254 1.00 36.23 ? 305 ILE A CB 1 ATOM 2165 C CG1 . ILE A 1 305 ? 19.171 29.408 -7.163 1.00 36.46 ? 305 ILE A CG1 1 ATOM 2166 C CG2 . ILE A 1 305 ? 19.088 31.346 -8.831 1.00 36.13 ? 305 ILE A CG2 1 ATOM 2167 C CD1 . ILE A 1 305 ? 19.070 30.074 -5.770 1.00 36.65 ? 305 ILE A CD1 1 ATOM 2168 N N . PRO A 1 306 ? 20.478 30.055 -11.616 1.00 39.08 ? 306 PRO A N 1 ATOM 2169 C CA . PRO A 1 306 ? 21.054 30.664 -12.799 1.00 39.69 ? 306 PRO A CA 1 ATOM 2170 C C . PRO A 1 306 ? 21.226 32.171 -12.838 1.00 40.52 ? 306 PRO A C 1 ATOM 2171 O O . PRO A 1 306 ? 20.489 32.957 -12.219 1.00 41.22 ? 306 PRO A O 1 ATOM 2172 C CB . PRO A 1 306 ? 20.077 30.284 -13.934 1.00 38.90 ? 306 PRO A CB 1 ATOM 2173 C CG . PRO A 1 306 ? 18.753 30.168 -13.236 1.00 39.03 ? 306 PRO A CG 1 ATOM 2174 C CD . PRO A 1 306 ? 19.060 29.675 -11.827 1.00 38.68 ? 306 PRO A CD 1 ATOM 2175 N N . PRO A 1 307 ? 22.245 32.517 -13.619 1.00 41.25 ? 307 PRO A N 1 ATOM 2176 C CA . PRO A 1 307 ? 22.566 33.949 -13.826 1.00 42.13 ? 307 PRO A CA 1 ATOM 2177 C C . PRO A 1 307 ? 21.256 34.296 -14.550 1.00 42.55 ? 307 PRO A C 1 ATOM 2178 O O . PRO A 1 307 ? 20.756 33.391 -15.263 1.00 42.68 ? 307 PRO A O 1 ATOM 2179 C CB . PRO A 1 307 ? 23.875 33.988 -14.563 1.00 41.72 ? 307 PRO A CB 1 ATOM 2180 C CG . PRO A 1 307 ? 24.001 32.639 -15.221 1.00 41.09 ? 307 PRO A CG 1 ATOM 2181 C CD . PRO A 1 307 ? 23.153 31.684 -14.403 1.00 40.90 ? 307 PRO A CD 1 ATOM 2182 N N . PRO A 1 308 ? 20.716 35.481 -14.371 1.00 42.68 ? 308 PRO A N 1 ATOM 2183 C CA . PRO A 1 308 ? 21.283 36.544 -13.552 1.00 43.16 ? 308 PRO A CA 1 ATOM 2184 C C . PRO A 1 308 ? 21.435 36.432 -12.045 1.00 42.21 ? 308 PRO A C 1 ATOM 2185 O O . PRO A 1 308 ? 22.521 36.769 -11.533 1.00 41.29 ? 308 PRO A O 1 ATOM 2186 C CB . PRO A 1 308 ? 20.368 37.738 -13.956 1.00 43.29 ? 308 PRO A CB 1 ATOM 2187 C CG . PRO A 1 308 ? 19.037 37.095 -14.297 1.00 43.08 ? 308 PRO A CG 1 ATOM 2188 C CD . PRO A 1 308 ? 19.461 35.841 -15.048 1.00 42.35 ? 308 PRO A CD 1 ATOM 2189 N N . THR A 1 309 ? 20.425 36.003 -11.325 1.00 42.08 ? 309 THR A N 1 ATOM 2190 C CA . THR A 1 309 ? 20.397 35.865 -9.856 1.00 41.03 ? 309 THR A CA 1 ATOM 2191 C C . THR A 1 309 ? 21.410 34.850 -9.361 1.00 40.16 ? 309 THR A C 1 ATOM 2192 O O . THR A 1 309 ? 22.221 35.230 -8.473 1.00 40.29 ? 309 THR A O 1 ATOM 2193 C CB . THR A 1 309 ? 18.915 35.683 -9.386 1.00 42.76 ? 309 THR A CB 1 ATOM 2194 O OG1 . THR A 1 309 ? 18.086 35.906 -10.580 1.00 44.42 ? 309 THR A OG1 1 ATOM 2195 C CG2 . THR A 1 309 ? 18.454 36.652 -8.290 1.00 43.21 ? 309 THR A CG2 1 ATOM 2196 N N . GLY A 1 310 ? 21.388 33.645 -9.908 1.00 38.27 ? 310 GLY A N 1 ATOM 2197 C CA . GLY A 1 310 ? 22.409 32.668 -9.431 1.00 37.07 ? 310 GLY A CA 1 ATOM 2198 C C . GLY A 1 310 ? 23.712 33.019 -10.160 1.00 36.62 ? 310 GLY A C 1 ATOM 2199 O O . GLY A 1 310 ? 23.744 33.892 -11.046 1.00 36.98 ? 310 GLY A O 1 ATOM 2200 N N . PRO A 1 311 ? 24.804 32.359 -9.829 1.00 35.46 ? 311 PRO A N 1 ATOM 2201 C CA . PRO A 1 311 ? 24.963 31.297 -8.840 1.00 33.89 ? 311 PRO A CA 1 ATOM 2202 C C . PRO A 1 311 ? 24.994 31.908 -7.454 1.00 31.98 ? 311 PRO A C 1 ATOM 2203 O O . PRO A 1 311 ? 25.878 32.731 -7.218 1.00 31.05 ? 311 PRO A O 1 ATOM 2204 C CB . PRO A 1 311 ? 26.268 30.582 -9.185 1.00 34.12 ? 311 PRO A CB 1 ATOM 2205 C CG . PRO A 1 311 ? 26.538 31.110 -10.575 1.00 35.62 ? 311 PRO A CG 1 ATOM 2206 C CD . PRO A 1 311 ? 26.103 32.591 -10.468 1.00 36.12 ? 311 PRO A CD 1 ATOM 2207 N N . THR A 1 312 ? 24.048 31.463 -6.644 1.00 29.93 ? 312 THR A N 1 ATOM 2208 C CA . THR A 1 312 ? 23.914 31.946 -5.285 1.00 27.64 ? 312 THR A CA 1 ATOM 2209 C C . THR A 1 312 ? 23.352 30.953 -4.284 1.00 26.77 ? 312 THR A C 1 ATOM 2210 O O . THR A 1 312 ? 22.734 29.909 -4.547 1.00 27.49 ? 312 THR A O 1 ATOM 2211 C CB . THR A 1 312 ? 22.944 33.217 -5.336 1.00 28.01 ? 312 THR A CB 1 ATOM 2212 O OG1 . THR A 1 312 ? 23.059 33.829 -4.015 1.00 28.60 ? 312 THR A OG1 1 ATOM 2213 C CG2 . THR A 1 312 ? 21.508 32.880 -5.724 1.00 25.97 ? 312 THR A CG2 1 ATOM 2214 N N . TRP A 1 313 ? 23.608 31.361 -3.051 1.00 25.23 ? 313 TRP A N 1 ATOM 2215 C CA . TRP A 1 313 ? 23.173 30.648 -1.849 1.00 23.23 ? 313 TRP A CA 1 ATOM 2216 C C . TRP A 1 313 ? 21.813 31.354 -1.643 1.00 22.50 ? 313 TRP A C 1 ATOM 2217 O O . TRP A 1 313 ? 21.593 32.441 -2.219 1.00 23.79 ? 313 TRP A O 1 ATOM 2218 C CB . TRP A 1 313 ? 24.000 30.773 -0.617 1.00 25.20 ? 313 TRP A CB 1 ATOM 2219 C CG . TRP A 1 313 ? 25.270 30.073 -0.389 1.00 26.99 ? 313 TRP A CG 1 ATOM 2220 C CD1 . TRP A 1 313 ? 26.524 30.483 -0.764 1.00 27.44 ? 313 TRP A CD1 1 ATOM 2221 C CD2 . TRP A 1 313 ? 25.448 28.806 0.279 1.00 27.76 ? 313 TRP A CD2 1 ATOM 2222 N NE1 . TRP A 1 313 ? 27.462 29.553 -0.372 1.00 28.15 ? 313 TRP A NE1 1 ATOM 2223 C CE2 . TRP A 1 313 ? 26.827 28.514 0.262 1.00 27.35 ? 313 TRP A CE2 1 ATOM 2224 C CE3 . TRP A 1 313 ? 24.570 27.910 0.874 1.00 27.55 ? 313 TRP A CE3 1 ATOM 2225 C CZ2 . TRP A 1 313 ? 27.339 27.366 0.833 1.00 28.02 ? 313 TRP A CZ2 1 ATOM 2226 C CZ3 . TRP A 1 313 ? 25.084 26.761 1.432 1.00 26.82 ? 313 TRP A CZ3 1 ATOM 2227 C CH2 . TRP A 1 313 ? 26.444 26.484 1.415 1.00 28.02 ? 313 TRP A CH2 1 ATOM 2228 N N . ALA A 1 314 ? 21.006 30.707 -0.830 1.00 19.78 ? 314 ALA A N 1 ATOM 2229 C CA . ALA A 1 314 ? 19.681 31.254 -0.541 1.00 15.92 ? 314 ALA A CA 1 ATOM 2230 C C . ALA A 1 314 ? 19.309 31.033 0.906 1.00 13.92 ? 314 ALA A C 1 ATOM 2231 O O . ALA A 1 314 ? 18.985 29.897 1.229 1.00 13.13 ? 314 ALA A O 1 ATOM 2232 C CB . ALA A 1 314 ? 18.673 30.553 -1.440 1.00 18.44 ? 314 ALA A CB 1 ATOM 2233 N N . LEU A 1 315 ? 19.358 32.085 1.707 1.00 12.63 ? 315 LEU A N 1 ATOM 2234 C CA . LEU A 1 315 ? 18.974 31.959 3.130 1.00 9.92 ? 315 LEU A CA 1 ATOM 2235 C C . LEU A 1 315 ? 17.453 32.197 3.120 1.00 10.75 ? 315 LEU A C 1 ATOM 2236 O O . LEU A 1 315 ? 16.969 33.338 3.013 1.00 12.61 ? 315 LEU A O 1 ATOM 2237 C CB . LEU A 1 315 ? 19.896 32.922 3.837 1.00 7.29 ? 315 LEU A CB 1 ATOM 2238 C CG . LEU A 1 315 ? 21.395 32.764 3.541 1.00 3.01 ? 315 LEU A CG 1 ATOM 2239 C CD1 . LEU A 1 315 ? 22.147 33.846 4.258 1.00 2.00 ? 315 LEU A CD1 1 ATOM 2240 C CD2 . LEU A 1 315 ? 21.895 31.403 4.035 1.00 2.00 ? 315 LEU A CD2 1 ATOM 2241 N N . GLY A 1 316 ? 16.707 31.137 3.211 1.00 9.31 ? 316 GLY A N 1 ATOM 2242 C CA . GLY A 1 316 ? 15.257 31.017 3.207 1.00 8.40 ? 316 GLY A CA 1 ATOM 2243 C C . GLY A 1 316 ? 14.778 30.792 4.615 1.00 7.36 ? 316 GLY A C 1 ATOM 2244 O O . GLY A 1 316 ? 15.546 31.187 5.495 1.00 8.08 ? 316 GLY A O 1 ATOM 2245 N N . ALA A 1 317 ? 13.610 30.220 4.799 1.00 7.82 ? 317 ALA A N 1 ATOM 2246 C CA . ALA A 1 317 ? 12.999 29.958 6.111 1.00 4.32 ? 317 ALA A CA 1 ATOM 2247 C C . ALA A 1 317 ? 13.919 29.488 7.215 1.00 5.40 ? 317 ALA A C 1 ATOM 2248 O O . ALA A 1 317 ? 13.998 30.107 8.274 1.00 7.94 ? 317 ALA A O 1 ATOM 2249 C CB . ALA A 1 317 ? 11.922 28.895 6.051 1.00 2.16 ? 317 ALA A CB 1 ATOM 2250 N N . THR A 1 318 ? 14.606 28.391 6.987 1.00 4.26 ? 318 THR A N 1 ATOM 2251 C CA . THR A 1 318 ? 15.511 27.813 7.959 1.00 4.03 ? 318 THR A CA 1 ATOM 2252 C C . THR A 1 318 ? 16.396 28.890 8.587 1.00 2.00 ? 318 THR A C 1 ATOM 2253 O O . THR A 1 318 ? 16.646 28.818 9.800 1.00 2.00 ? 318 THR A O 1 ATOM 2254 C CB . THR A 1 318 ? 16.328 26.556 7.377 1.00 2.49 ? 318 THR A CB 1 ATOM 2255 O OG1 . THR A 1 318 ? 15.378 25.820 6.534 1.00 4.22 ? 318 THR A OG1 1 ATOM 2256 C CG2 . THR A 1 318 ? 16.888 25.781 8.549 1.00 2.00 ? 318 THR A CG2 1 ATOM 2257 N N . PHE A 1 319 ? 16.845 29.831 7.828 1.00 2.00 ? 319 PHE A N 1 ATOM 2258 C CA . PHE A 1 319 ? 17.716 30.899 8.400 1.00 3.24 ? 319 PHE A CA 1 ATOM 2259 C C . PHE A 1 319 ? 16.875 31.862 9.229 1.00 2.81 ? 319 PHE A C 1 ATOM 2260 O O . PHE A 1 319 ? 17.112 32.092 10.398 1.00 2.00 ? 319 PHE A O 1 ATOM 2261 C CB . PHE A 1 319 ? 18.579 31.507 7.303 1.00 4.80 ? 319 PHE A CB 1 ATOM 2262 C CG . PHE A 1 319 ? 19.618 32.461 7.815 1.00 2.90 ? 319 PHE A CG 1 ATOM 2263 C CD1 . PHE A 1 319 ? 19.286 33.810 7.961 1.00 3.18 ? 319 PHE A CD1 1 ATOM 2264 C CD2 . PHE A 1 319 ? 20.891 32.033 8.137 1.00 3.60 ? 319 PHE A CD2 1 ATOM 2265 C CE1 . PHE A 1 319 ? 20.214 34.723 8.427 1.00 2.40 ? 319 PHE A CE1 1 ATOM 2266 C CE2 . PHE A 1 319 ? 21.865 32.900 8.631 1.00 2.00 ? 319 PHE A CE2 1 ATOM 2267 C CZ . PHE A 1 319 ? 21.495 34.247 8.762 1.00 3.56 ? 319 PHE A CZ 1 ATOM 2268 N N . ILE A 1 320 ? 15.850 32.430 8.621 1.00 4.54 ? 320 ILE A N 1 ATOM 2269 C CA . ILE A 1 320 ? 14.938 33.368 9.227 1.00 3.62 ? 320 ILE A CA 1 ATOM 2270 C C . ILE A 1 320 ? 14.425 32.882 10.570 1.00 3.82 ? 320 ILE A C 1 ATOM 2271 O O . ILE A 1 320 ? 14.254 33.678 11.502 1.00 3.36 ? 320 ILE A O 1 ATOM 2272 C CB . ILE A 1 320 ? 13.785 33.815 8.287 1.00 3.74 ? 320 ILE A CB 1 ATOM 2273 C CG1 . ILE A 1 320 ? 14.465 34.290 6.974 1.00 4.65 ? 320 ILE A CG1 1 ATOM 2274 C CG2 . ILE A 1 320 ? 12.931 34.941 8.903 1.00 2.00 ? 320 ILE A CG2 1 ATOM 2275 C CD1 . ILE A 1 320 ? 13.434 34.372 5.803 1.00 6.15 ? 320 ILE A CD1 1 ATOM 2276 N N . ARG A 1 321 ? 14.207 31.607 10.636 1.00 4.96 ? 321 ARG A N 1 ATOM 2277 C CA . ARG A 1 321 ? 13.700 31.031 11.892 1.00 6.36 ? 321 ARG A CA 1 ATOM 2278 C C . ARG A 1 321 ? 14.491 31.503 13.081 1.00 6.11 ? 321 ARG A C 1 ATOM 2279 O O . ARG A 1 321 ? 13.930 31.923 14.095 1.00 8.73 ? 321 ARG A O 1 ATOM 2280 C CB . ARG A 1 321 ? 13.595 29.497 11.801 1.00 8.60 ? 321 ARG A CB 1 ATOM 2281 C CG . ARG A 1 321 ? 12.098 29.192 11.815 1.00 7.44 ? 321 ARG A CG 1 ATOM 2282 C CD . ARG A 1 321 ? 11.719 27.804 11.989 1.00 11.65 ? 321 ARG A CD 1 ATOM 2283 N NE . ARG A 1 321 ? 11.471 27.218 10.685 1.00 13.86 ? 321 ARG A NE 1 ATOM 2284 C CZ . ARG A 1 321 ? 12.312 26.387 10.070 1.00 13.11 ? 321 ARG A CZ 1 ATOM 2285 N NH1 . ARG A 1 321 ? 13.358 25.967 10.759 1.00 13.01 ? 321 ARG A NH1 1 ATOM 2286 N NH2 . ARG A 1 321 ? 12.042 26.039 8.811 1.00 12.21 ? 321 ARG A NH2 1 ATOM 2287 N N . LYS A 1 322 ? 15.762 31.453 12.946 1.00 7.59 ? 322 LYS A N 1 ATOM 2288 C CA . LYS A 1 322 ? 16.815 31.811 13.883 1.00 8.10 ? 322 LYS A CA 1 ATOM 2289 C C . LYS A 1 322 ? 17.162 33.298 13.880 1.00 6.73 ? 322 LYS A C 1 ATOM 2290 O O . LYS A 1 322 ? 17.563 33.758 14.971 1.00 3.89 ? 322 LYS A O 1 ATOM 2291 C CB . LYS A 1 322 ? 18.073 30.978 13.619 1.00 9.82 ? 322 LYS A CB 1 ATOM 2292 C CG . LYS A 1 322 ? 19.201 31.160 14.640 1.00 14.49 ? 322 LYS A CG 1 ATOM 2293 C CD . LYS A 1 322 ? 19.084 30.263 15.866 1.00 15.91 ? 322 LYS A CD 1 ATOM 2294 C CE . LYS A 1 322 ? 20.265 30.442 16.816 1.00 15.54 ? 322 LYS A CE 1 ATOM 2295 N NZ . LYS A 1 322 ? 20.964 29.154 17.032 1.00 16.68 ? 322 LYS A NZ 1 ATOM 2296 N N . PHE A 1 323 ? 17.021 33.954 12.740 1.00 6.09 ? 323 PHE A N 1 ATOM 2297 C CA . PHE A 1 323 ? 17.366 35.393 12.769 1.00 5.92 ? 323 PHE A CA 1 ATOM 2298 C C . PHE A 1 323 ? 16.251 36.298 12.233 1.00 4.73 ? 323 PHE A C 1 ATOM 2299 O O . PHE A 1 323 ? 15.985 36.095 11.051 1.00 4.51 ? 323 PHE A O 1 ATOM 2300 C CB . PHE A 1 323 ? 18.640 35.811 12.040 1.00 6.72 ? 323 PHE A CB 1 ATOM 2301 C CG . PHE A 1 323 ? 19.808 35.120 12.675 1.00 6.78 ? 323 PHE A CG 1 ATOM 2302 C CD1 . PHE A 1 323 ? 20.343 35.572 13.882 1.00 4.41 ? 323 PHE A CD1 1 ATOM 2303 C CD2 . PHE A 1 323 ? 20.314 34.003 12.011 1.00 7.49 ? 323 PHE A CD2 1 ATOM 2304 C CE1 . PHE A 1 323 ? 21.425 34.848 14.399 1.00 5.58 ? 323 PHE A CE1 1 ATOM 2305 C CE2 . PHE A 1 323 ? 21.392 33.305 12.541 1.00 6.90 ? 323 PHE A CE2 1 ATOM 2306 C CZ . PHE A 1 323 ? 21.929 33.753 13.733 1.00 4.34 ? 323 PHE A CZ 1 ATOM 2307 N N . TYR A 1 324 ? 15.770 37.131 13.094 1.00 2.32 ? 324 TYR A N 1 ATOM 2308 C CA . TYR A 1 324 ? 14.738 38.110 12.802 1.00 3.78 ? 324 TYR A CA 1 ATOM 2309 C C . TYR A 1 324 ? 15.443 39.035 11.786 1.00 3.78 ? 324 TYR A C 1 ATOM 2310 O O . TYR A 1 324 ? 16.525 39.535 12.169 1.00 2.00 ? 324 TYR A O 1 ATOM 2311 C CB . TYR A 1 324 ? 14.451 39.035 14.009 1.00 3.67 ? 324 TYR A CB 1 ATOM 2312 C CG . TYR A 1 324 ? 13.320 40.012 13.794 1.00 3.97 ? 324 TYR A CG 1 ATOM 2313 C CD1 . TYR A 1 324 ? 12.025 39.537 14.028 1.00 4.97 ? 324 TYR A CD1 1 ATOM 2314 C CD2 . TYR A 1 324 ? 13.446 41.344 13.378 1.00 3.70 ? 324 TYR A CD2 1 ATOM 2315 C CE1 . TYR A 1 324 ? 10.890 40.305 13.866 1.00 2.15 ? 324 TYR A CE1 1 ATOM 2316 C CE2 . TYR A 1 324 ? 12.319 42.149 13.206 1.00 6.08 ? 324 TYR A CE2 1 ATOM 2317 C CZ . TYR A 1 324 ? 11.042 41.625 13.454 1.00 5.35 ? 324 TYR A CZ 1 ATOM 2318 O OH . TYR A 1 324 ? 9.874 42.318 13.338 1.00 3.93 ? 324 TYR A OH 1 ATOM 2319 N N . THR A 1 325 ? 14.799 39.183 10.640 1.00 3.64 ? 325 THR A N 1 ATOM 2320 C CA . THR A 1 325 ? 15.383 40.028 9.622 1.00 4.11 ? 325 THR A CA 1 ATOM 2321 C C . THR A 1 325 ? 14.605 41.266 9.224 1.00 5.56 ? 325 THR A C 1 ATOM 2322 O O . THR A 1 325 ? 13.393 41.148 9.069 1.00 6.70 ? 325 THR A O 1 ATOM 2323 C CB . THR A 1 325 ? 15.548 39.162 8.305 1.00 2.00 ? 325 THR A CB 1 ATOM 2324 O OG1 . THR A 1 325 ? 16.238 38.057 8.903 1.00 2.00 ? 325 THR A OG1 1 ATOM 2325 C CG2 . THR A 1 325 ? 16.299 39.806 7.138 1.00 2.21 ? 325 THR A CG2 1 ATOM 2326 N N . GLU A 1 326 ? 15.344 42.327 9.046 1.00 6.14 ? 326 GLU A N 1 ATOM 2327 C CA . GLU A 1 326 ? 14.834 43.641 8.637 1.00 5.21 ? 326 GLU A CA 1 ATOM 2328 C C . GLU A 1 326 ? 15.384 43.958 7.267 1.00 4.55 ? 326 GLU A C 1 ATOM 2329 O O . GLU A 1 326 ? 16.596 43.931 7.154 1.00 3.58 ? 326 GLU A O 1 ATOM 2330 C CB . GLU A 1 326 ? 15.326 44.730 9.582 1.00 5.44 ? 326 GLU A CB 1 ATOM 2331 C CG . GLU A 1 326 ? 14.724 46.150 9.374 1.00 7.10 ? 326 GLU A CG 1 ATOM 2332 C CD . GLU A 1 326 ? 15.239 47.091 10.407 1.00 5.52 ? 326 GLU A CD 1 ATOM 2333 O OE1 . GLU A 1 326 ? 14.940 47.026 11.573 1.00 5.67 ? 326 GLU A OE1 1 ATOM 2334 O OE2 . GLU A 1 326 ? 16.019 47.915 9.922 1.00 8.96 ? 326 GLU A OE2 1 ATOM 2335 N N . PHE A 1 327 ? 14.545 44.210 6.285 1.00 5.19 ? 327 PHE A N 1 ATOM 2336 C CA . PHE A 1 327 ? 14.924 44.529 4.912 1.00 4.45 ? 327 PHE A CA 1 ATOM 2337 C C . PHE A 1 327 ? 14.751 46.060 4.865 1.00 7.80 ? 327 PHE A C 1 ATOM 2338 O O . PHE A 1 327 ? 13.611 46.479 5.141 1.00 6.43 ? 327 PHE A O 1 ATOM 2339 C CB . PHE A 1 327 ? 14.008 43.835 3.934 1.00 3.27 ? 327 PHE A CB 1 ATOM 2340 C CG . PHE A 1 327 ? 14.080 42.348 3.872 1.00 3.14 ? 327 PHE A CG 1 ATOM 2341 C CD1 . PHE A 1 327 ? 13.478 41.597 4.887 1.00 2.73 ? 327 PHE A CD1 1 ATOM 2342 C CD2 . PHE A 1 327 ? 14.710 41.687 2.818 1.00 2.00 ? 327 PHE A CD2 1 ATOM 2343 C CE1 . PHE A 1 327 ? 13.504 40.218 4.876 1.00 2.00 ? 327 PHE A CE1 1 ATOM 2344 C CE2 . PHE A 1 327 ? 14.737 40.299 2.802 1.00 2.00 ? 327 PHE A CE2 1 ATOM 2345 C CZ . PHE A 1 327 ? 14.134 39.575 3.836 1.00 2.00 ? 327 PHE A CZ 1 ATOM 2346 N N . ASP A 1 328 ? 15.822 46.773 4.554 1.00 10.75 ? 328 ASP A N 1 ATOM 2347 C CA . ASP A 1 328 ? 15.715 48.243 4.533 1.00 13.93 ? 328 ASP A CA 1 ATOM 2348 C C . ASP A 1 328 ? 15.843 48.873 3.146 1.00 16.55 ? 328 ASP A C 1 ATOM 2349 O O . ASP A 1 328 ? 16.925 48.920 2.530 1.00 18.68 ? 328 ASP A O 1 ATOM 2350 C CB . ASP A 1 328 ? 16.733 48.742 5.523 1.00 12.44 ? 328 ASP A CB 1 ATOM 2351 C CG . ASP A 1 328 ? 16.866 50.192 5.887 1.00 12.55 ? 328 ASP A CG 1 ATOM 2352 O OD1 . ASP A 1 328 ? 15.883 50.911 5.657 1.00 12.94 ? 328 ASP A OD1 1 ATOM 2353 O OD2 . ASP A 1 328 ? 17.955 50.557 6.418 1.00 9.93 ? 328 ASP A OD2 1 ATOM 2354 N N . ARG A 1 329 ? 14.690 49.374 2.712 1.00 15.98 ? 329 ARG A N 1 ATOM 2355 C CA . ARG A 1 329 ? 14.634 50.041 1.402 1.00 15.61 ? 329 ARG A CA 1 ATOM 2356 C C . ARG A 1 329 ? 15.257 51.405 1.399 1.00 16.95 ? 329 ARG A C 1 ATOM 2357 O O . ARG A 1 329 ? 15.868 51.620 0.356 1.00 19.13 ? 329 ARG A O 1 ATOM 2358 C CB . ARG A 1 329 ? 13.199 49.985 0.894 1.00 14.29 ? 329 ARG A CB 1 ATOM 2359 C CG . ARG A 1 329 ? 13.132 48.613 0.178 1.00 14.74 ? 329 ARG A CG 1 ATOM 2360 C CD . ARG A 1 329 ? 13.830 48.785 -1.134 1.00 13.02 ? 329 ARG A CD 1 ATOM 2361 N NE . ARG A 1 329 ? 12.726 48.761 -2.041 1.00 17.58 ? 329 ARG A NE 1 ATOM 2362 C CZ . ARG A 1 329 ? 12.392 49.483 -3.112 1.00 16.20 ? 329 ARG A CZ 1 ATOM 2363 N NH1 . ARG A 1 329 ? 13.159 50.436 -3.590 1.00 12.11 ? 329 ARG A NH1 1 ATOM 2364 N NH2 . ARG A 1 329 ? 11.207 49.060 -3.562 1.00 14.43 ? 329 ARG A NH2 1 ATOM 2365 N N . ARG A 1 330 ? 15.178 52.278 2.367 1.00 17.72 ? 330 ARG A N 1 ATOM 2366 C CA . ARG A 1 330 ? 15.787 53.599 2.381 1.00 17.21 ? 330 ARG A CA 1 ATOM 2367 C C . ARG A 1 330 ? 17.310 53.552 2.289 1.00 14.52 ? 330 ARG A C 1 ATOM 2368 O O . ARG A 1 330 ? 17.876 54.499 1.753 1.00 11.50 ? 330 ARG A O 1 ATOM 2369 C CB . ARG A 1 330 ? 15.441 54.369 3.674 1.00 21.76 ? 330 ARG A CB 1 ATOM 2370 C CG . ARG A 1 330 ? 16.256 55.543 4.132 1.00 28.90 ? 330 ARG A CG 1 ATOM 2371 C CD . ARG A 1 330 ? 16.573 56.725 3.267 1.00 31.98 ? 330 ARG A CD 1 ATOM 2372 N NE . ARG A 1 330 ? 15.577 57.784 3.325 1.00 34.75 ? 330 ARG A NE 1 ATOM 2373 C CZ . ARG A 1 330 ? 15.603 58.906 4.047 1.00 38.08 ? 330 ARG A CZ 1 ATOM 2374 N NH1 . ARG A 1 330 ? 16.723 59.625 4.200 1.00 39.40 ? 330 ARG A NH1 1 ATOM 2375 N NH2 . ARG A 1 330 ? 14.493 59.343 4.675 1.00 37.20 ? 330 ARG A NH2 1 ATOM 2376 N N . ASN A 1 331 ? 17.916 52.490 2.821 1.00 13.49 ? 331 ASN A N 1 ATOM 2377 C CA . ASN A 1 331 ? 19.385 52.386 2.793 1.00 11.19 ? 331 ASN A CA 1 ATOM 2378 C C . ASN A 1 331 ? 19.923 51.168 2.081 1.00 11.01 ? 331 ASN A C 1 ATOM 2379 O O . ASN A 1 331 ? 21.152 50.958 2.044 1.00 13.05 ? 331 ASN A O 1 ATOM 2380 C CB . ASN A 1 331 ? 19.864 52.398 4.241 1.00 11.54 ? 331 ASN A CB 1 ATOM 2381 C CG . ASN A 1 331 ? 19.438 53.587 5.057 1.00 10.49 ? 331 ASN A CG 1 ATOM 2382 O OD1 . ASN A 1 331 ? 19.407 54.729 4.571 1.00 13.81 ? 331 ASN A OD1 1 ATOM 2383 N ND2 . ASN A 1 331 ? 19.135 53.352 6.301 1.00 9.76 ? 331 ASN A ND2 1 ATOM 2384 N N . ASN A 1 332 ? 19.068 50.356 1.526 1.00 11.02 ? 332 ASN A N 1 ATOM 2385 C CA . ASN A 1 332 ? 19.384 49.130 0.810 1.00 9.85 ? 332 ASN A CA 1 ATOM 2386 C C . ASN A 1 332 ? 20.404 48.241 1.508 1.00 6.33 ? 332 ASN A C 1 ATOM 2387 O O . ASN A 1 332 ? 21.506 47.983 1.036 1.00 8.63 ? 332 ASN A O 1 ATOM 2388 C CB . ASN A 1 332 ? 19.879 49.301 -0.637 1.00 13.14 ? 332 ASN A CB 1 ATOM 2389 C CG . ASN A 1 332 ? 18.839 49.762 -1.623 1.00 16.17 ? 332 ASN A CG 1 ATOM 2390 O OD1 . ASN A 1 332 ? 18.266 49.002 -2.425 1.00 18.63 ? 332 ASN A OD1 1 ATOM 2391 N ND2 . ASN A 1 332 ? 18.589 51.076 -1.572 1.00 18.67 ? 332 ASN A ND2 1 ATOM 2392 N N . ARG A 1 333 ? 20.038 47.734 2.623 1.00 4.21 ? 333 ARG A N 1 ATOM 2393 C CA . ARG A 1 333 ? 20.763 46.839 3.498 1.00 2.00 ? 333 ARG A CA 1 ATOM 2394 C C . ARG A 1 333 ? 19.785 45.843 4.091 1.00 2.00 ? 333 ARG A C 1 ATOM 2395 O O . ARG A 1 333 ? 18.612 46.018 3.830 1.00 2.00 ? 333 ARG A O 1 ATOM 2396 C CB . ARG A 1 333 ? 21.361 47.755 4.539 1.00 2.00 ? 333 ARG A CB 1 ATOM 2397 C CG . ARG A 1 333 ? 20.470 48.462 5.562 1.00 2.00 ? 333 ARG A CG 1 ATOM 2398 C CD . ARG A 1 333 ? 21.267 49.567 6.247 1.00 2.13 ? 333 ARG A CD 1 ATOM 2399 N NE . ARG A 1 333 ? 20.614 49.930 7.488 1.00 3.66 ? 333 ARG A NE 1 ATOM 2400 C CZ . ARG A 1 333 ? 21.049 50.590 8.559 1.00 2.81 ? 333 ARG A CZ 1 ATOM 2401 N NH1 . ARG A 1 333 ? 22.306 51.074 8.616 1.00 3.82 ? 333 ARG A NH1 1 ATOM 2402 N NH2 . ARG A 1 333 ? 20.216 50.799 9.582 1.00 2.00 ? 333 ARG A NH2 1 ATOM 2403 N N . ILE A 1 334 ? 20.235 44.885 4.852 1.00 2.00 ? 334 ILE A N 1 ATOM 2404 C CA . ILE A 1 334 ? 19.455 43.870 5.542 1.00 2.00 ? 334 ILE A CA 1 ATOM 2405 C C . ILE A 1 334 ? 20.096 43.846 6.924 1.00 3.70 ? 334 ILE A C 1 ATOM 2406 O O . ILE A 1 334 ? 21.342 43.867 7.117 1.00 6.53 ? 334 ILE A O 1 ATOM 2407 C CB . ILE A 1 334 ? 19.401 42.493 4.834 1.00 2.84 ? 334 ILE A CB 1 ATOM 2408 C CG1 . ILE A 1 334 ? 18.904 42.521 3.346 1.00 2.91 ? 334 ILE A CG1 1 ATOM 2409 C CG2 . ILE A 1 334 ? 18.474 41.439 5.517 1.00 3.41 ? 334 ILE A CG2 1 ATOM 2410 C CD1 . ILE A 1 334 ? 19.561 41.293 2.632 1.00 2.00 ? 334 ILE A CD1 1 ATOM 2411 N N . GLY A 1 335 ? 19.315 43.825 7.952 1.00 5.26 ? 335 GLY A N 1 ATOM 2412 C CA . GLY A 1 335 ? 19.759 43.780 9.361 1.00 5.10 ? 335 GLY A CA 1 ATOM 2413 C C . GLY A 1 335 ? 19.150 42.440 9.843 1.00 5.27 ? 335 GLY A C 1 ATOM 2414 O O . GLY A 1 335 ? 18.156 41.998 9.250 1.00 3.52 ? 335 GLY A O 1 ATOM 2415 N N . PHE A 1 336 ? 19.776 41.879 10.856 1.00 4.73 ? 336 PHE A N 1 ATOM 2416 C CA . PHE A 1 336 ? 19.358 40.629 11.476 1.00 4.45 ? 336 PHE A CA 1 ATOM 2417 C C . PHE A 1 336 ? 19.670 40.791 12.994 1.00 4.69 ? 336 PHE A C 1 ATOM 2418 O O . PHE A 1 336 ? 20.617 41.488 13.448 1.00 2.56 ? 336 PHE A O 1 ATOM 2419 C CB . PHE A 1 336 ? 19.894 39.350 10.933 1.00 7.26 ? 336 PHE A CB 1 ATOM 2420 C CG . PHE A 1 336 ? 20.209 39.122 9.506 1.00 7.77 ? 336 PHE A CG 1 ATOM 2421 C CD1 . PHE A 1 336 ? 21.429 39.568 8.997 1.00 5.95 ? 336 PHE A CD1 1 ATOM 2422 C CD2 . PHE A 1 336 ? 19.309 38.449 8.667 1.00 9.45 ? 336 PHE A CD2 1 ATOM 2423 C CE1 . PHE A 1 336 ? 21.734 39.355 7.667 1.00 6.58 ? 336 PHE A CE1 1 ATOM 2424 C CE2 . PHE A 1 336 ? 19.610 38.212 7.313 1.00 7.46 ? 336 PHE A CE2 1 ATOM 2425 C CZ . PHE A 1 336 ? 20.839 38.696 6.843 1.00 4.27 ? 336 PHE A CZ 1 ATOM 2426 N N . ALA A 1 337 ? 18.788 40.104 13.710 1.00 3.34 ? 337 ALA A N 1 ATOM 2427 C CA . ALA A 1 337 ? 18.838 40.088 15.177 1.00 4.89 ? 337 ALA A CA 1 ATOM 2428 C C . ALA A 1 337 ? 18.383 38.660 15.572 1.00 7.43 ? 337 ALA A C 1 ATOM 2429 O O . ALA A 1 337 ? 17.756 37.911 14.756 1.00 3.31 ? 337 ALA A O 1 ATOM 2430 C CB . ALA A 1 337 ? 18.051 41.130 15.927 1.00 2.00 ? 337 ALA A CB 1 ATOM 2431 N N . LEU A 1 338 ? 18.789 38.393 16.821 1.00 8.93 ? 338 LEU A N 1 ATOM 2432 C CA . LEU A 1 338 ? 18.400 37.023 17.279 1.00 12.81 ? 338 LEU A CA 1 ATOM 2433 C C . LEU A 1 338 ? 16.908 36.991 17.437 1.00 13.98 ? 338 LEU A C 1 ATOM 2434 O O . LEU A 1 338 ? 16.248 37.823 18.106 1.00 17.71 ? 338 LEU A O 1 ATOM 2435 C CB . LEU A 1 338 ? 19.296 36.729 18.489 1.00 16.71 ? 338 LEU A CB 1 ATOM 2436 C CG . LEU A 1 338 ? 19.328 35.239 18.839 1.00 20.64 ? 338 LEU A CG 1 ATOM 2437 C CD1 . LEU A 1 338 ? 20.372 34.484 18.012 1.00 20.40 ? 338 LEU A CD1 1 ATOM 2438 C CD2 . LEU A 1 338 ? 19.597 35.119 20.331 1.00 21.32 ? 338 LEU A CD2 1 ATOM 2439 N N . ALA A 1 339 ? 16.246 36.052 16.834 1.00 14.94 ? 339 ALA A N 1 ATOM 2440 C CA . ALA A 1 339 ? 14.802 35.832 16.890 1.00 14.67 ? 339 ALA A CA 1 ATOM 2441 C C . ALA A 1 339 ? 14.480 35.256 18.265 1.00 15.45 ? 339 ALA A C 1 ATOM 2442 O O . ALA A 1 339 ? 15.302 34.532 18.835 1.00 14.93 ? 339 ALA A O 1 ATOM 2443 C CB . ALA A 1 339 ? 14.467 34.701 15.922 1.00 17.81 ? 339 ALA A CB 1 ATOM 2444 N N . ARG A 1 340 ? 13.336 35.531 18.785 1.00 18.08 ? 340 ARG A N 1 ATOM 2445 C CA . ARG A 1 340 ? 12.804 35.066 20.073 1.00 20.52 ? 340 ARG A CA 1 ATOM 2446 C C . ARG A 1 340 ? 11.271 35.163 20.138 1.00 22.87 ? 340 ARG A C 1 ATOM 2447 O O . ARG A 1 340 ? 10.783 34.839 21.258 1.00 24.33 ? 340 ARG A O 1 ATOM 2448 C CB . ARG A 1 340 ? 13.412 35.845 21.237 1.00 23.15 ? 340 ARG A CB 1 ATOM 2449 C CG . ARG A 1 340 ? 12.913 37.280 21.281 1.00 25.93 ? 340 ARG A CG 1 ATOM 2450 C CD . ARG A 1 340 ? 12.560 37.752 22.644 1.00 27.08 ? 340 ARG A CD 1 ATOM 2451 N NE . ARG A 1 340 ? 12.440 39.208 22.548 1.00 31.35 ? 340 ARG A NE 1 ATOM 2452 C CZ . ARG A 1 340 ? 12.381 40.064 23.563 1.00 31.94 ? 340 ARG A CZ 1 ATOM 2453 N NH1 . ARG A 1 340 ? 12.651 39.691 24.814 1.00 31.87 ? 340 ARG A NH1 1 ATOM 2454 N NH2 . ARG A 1 340 ? 12.029 41.329 23.326 1.00 32.92 ? 340 ARG A NH2 1 ATOM 2455 O OXT . ARG A 1 340 ? 10.489 35.523 19.213 1.00 22.76 ? 340 ARG A OXT 1 HETATM 2456 C C1 . NAG B 2 . ? -1.968 47.710 -18.702 1.00 39.93 ? 341 NAG A C1 1 HETATM 2457 C C2 . NAG B 2 . ? -2.098 48.507 -19.941 1.00 42.05 ? 341 NAG A C2 1 HETATM 2458 C C3 . NAG B 2 . ? -0.785 48.568 -20.764 1.00 43.01 ? 341 NAG A C3 1 HETATM 2459 C C4 . NAG B 2 . ? 0.344 48.942 -19.801 1.00 42.65 ? 341 NAG A C4 1 HETATM 2460 C C5 . NAG B 2 . ? 0.419 47.805 -18.782 1.00 42.20 ? 341 NAG A C5 1 HETATM 2461 C C6 . NAG B 2 . ? 1.539 47.898 -17.804 1.00 43.53 ? 341 NAG A C6 1 HETATM 2462 C C7 . NAG B 2 . ? -4.327 48.941 -20.845 1.00 44.92 ? 341 NAG A C7 1 HETATM 2463 C C8 . NAG B 2 . ? -5.298 48.723 -22.000 1.00 45.42 ? 341 NAG A C8 1 HETATM 2464 N N2 . NAG B 2 . ? -3.248 48.109 -20.786 1.00 43.38 ? 341 NAG A N2 1 HETATM 2465 O O3 . NAG B 2 . ? -0.948 49.532 -21.790 1.00 44.13 ? 341 NAG A O3 1 HETATM 2466 O O4 . NAG B 2 . ? 1.534 49.127 -20.540 1.00 42.38 ? 341 NAG A O4 1 HETATM 2467 O O5 . NAG B 2 . ? -0.785 47.718 -18.017 1.00 40.42 ? 341 NAG A O5 1 HETATM 2468 O O6 . NAG B 2 . ? 2.569 46.963 -18.146 1.00 44.76 ? 341 NAG A O6 1 HETATM 2469 O O7 . NAG B 2 . ? -4.679 49.646 -19.866 1.00 45.70 ? 341 NAG A O7 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 LEU 1 1 ? ? ? A . n A 1 2 THR 2 2 ? ? ? A . n A 1 3 LEU 3 3 ? ? ? A . n A 1 4 GLY 4 4 4 GLY GLY A . n A 1 5 ASN 5 5 5 ASN ASN A . n A 1 6 THR 6 6 6 THR THR A . n A 1 7 THR 7 7 7 THR THR A . n A 1 8 SER 8 8 8 SER SER A . n A 1 9 SER 9 9 9 SER SER A . n A 1 10 VAL 10 10 10 VAL VAL A . n A 1 11 ILE 11 11 11 ILE ILE A . n A 1 12 LEU 12 12 12 LEU LEU A . n A 1 13 THR 13 13 13 THR THR A . n A 1 14 ASN 14 14 14 ASN ASN A . n A 1 15 TYR 15 15 15 TYR TYR A . n A 1 16 MET 16 16 16 MET MET A . n A 1 17 ASP 17 17 17 ASP ASP A . n A 1 18 THR 18 18 18 THR THR A . n A 1 19 GLN 19 19 19 GLN GLN A . n A 1 20 TYR 20 20 20 TYR TYR A . n A 1 21 TYR 21 21 21 TYR TYR A . n A 1 22 GLY 22 22 22 GLY GLY A . n A 1 23 GLU 23 23 23 GLU GLU A . n A 1 24 ILE 24 24 24 ILE ILE A . n A 1 25 GLY 25 25 25 GLY GLY A . n A 1 26 ILE 26 26 26 ILE ILE A . n A 1 27 GLY 27 27 27 GLY GLY A . n A 1 28 THR 28 28 28 THR THR A . n A 1 29 PRO 29 29 29 PRO PRO A . n A 1 30 PRO 30 30 30 PRO PRO A . n A 1 31 GLN 31 31 31 GLN GLN A . n A 1 32 THR 32 32 32 THR THR A . n A 1 33 PHE 33 33 33 PHE PHE A . n A 1 34 LYS 34 34 34 LYS LYS A . n A 1 35 VAL 35 35 35 VAL VAL A . n A 1 36 VAL 36 36 36 VAL VAL A . n A 1 37 PHE 37 37 37 PHE PHE A . n A 1 38 ASP 38 38 38 ASP ASP A . n A 1 39 THR 39 39 39 THR THR A . n A 1 40 GLY 40 40 40 GLY GLY A . n A 1 41 SER 41 41 41 SER SER A . n A 1 42 SER 42 42 42 SER SER A . n A 1 43 ASN 43 43 43 ASN ASN A . n A 1 44 VAL 44 44 44 VAL VAL A . n A 1 45 TRP 45 45 45 TRP TRP A . n A 1 46 VAL 46 46 46 VAL VAL A . n A 1 47 PRO 47 47 47 PRO PRO A . n A 1 48 SER 48 48 48 SER SER A . n A 1 49 SER 49 49 49 SER SER A . n A 1 50 LYS 50 50 50 LYS LYS A . n A 1 51 CYS 51 51 51 CYS CYS A . n A 1 52 SER 52 52 52 SER SER A . n A 1 53 ARG 53 53 ? ? ? A . n A 1 54 LEU 54 54 ? ? ? A . n A 1 55 TYR 55 55 ? ? ? A . n A 1 56 THR 56 56 56 THR THR A . n A 1 57 ALA 57 57 57 ALA ALA A . n A 1 58 CYS 58 58 58 CYS CYS A . n A 1 59 VAL 59 59 59 VAL VAL A . n A 1 60 TYR 60 60 60 TYR TYR A . n A 1 61 HIS 61 61 61 HIS HIS A . n A 1 62 LYS 62 62 62 LYS LYS A . n A 1 63 LEU 63 63 63 LEU LEU A . n A 1 64 PHE 64 64 64 PHE PHE A . n A 1 65 ASP 65 65 65 ASP ASP A . n A 1 66 ALA 66 66 66 ALA ALA A . n A 1 67 SER 67 67 67 SER SER A . n A 1 68 ASP 68 68 68 ASP ASP A . n A 1 69 SER 69 69 69 SER SER A . n A 1 70 SER 70 70 70 SER SER A . n A 1 71 SER 71 71 71 SER SER A . n A 1 72 TYR 72 72 72 TYR TYR A . n A 1 73 LYS 73 73 73 LYS LYS A . n A 1 74 HIS 74 74 74 HIS HIS A . n A 1 75 ASN 75 75 75 ASN ASN A . n A 1 76 GLY 76 76 76 GLY GLY A . n A 1 77 THR 77 77 77 THR THR A . n A 1 78 GLU 78 78 78 GLU GLU A . n A 1 79 LEU 79 79 79 LEU LEU A . n A 1 80 THR 80 80 80 THR THR A . n A 1 81 LEU 81 81 81 LEU LEU A . n A 1 82 ARG 82 82 82 ARG ARG A . n A 1 83 TYR 83 83 83 TYR TYR A . n A 1 84 SER 84 84 84 SER SER A . n A 1 85 THR 85 85 85 THR THR A . n A 1 86 GLY 86 86 86 GLY GLY A . n A 1 87 THR 87 87 87 THR THR A . n A 1 88 VAL 88 88 88 VAL VAL A . n A 1 89 SER 89 89 89 SER SER A . n A 1 90 GLY 90 90 90 GLY GLY A . n A 1 91 PHE 91 91 91 PHE PHE A . n A 1 92 LEU 92 92 92 LEU LEU A . n A 1 93 SER 93 93 93 SER SER A . n A 1 94 GLN 94 94 94 GLN GLN A . n A 1 95 ASP 95 95 95 ASP ASP A . n A 1 96 ILE 96 96 96 ILE ILE A . n A 1 97 ILE 97 97 97 ILE ILE A . n A 1 98 THR 98 98 98 THR THR A . n A 1 99 VAL 99 99 99 VAL VAL A . n A 1 100 GLY 100 100 100 GLY GLY A . n A 1 101 GLY 101 101 101 GLY GLY A . n A 1 102 ILE 102 102 102 ILE ILE A . n A 1 103 THR 103 103 103 THR THR A . n A 1 104 VAL 104 104 104 VAL VAL A . n A 1 105 THR 105 105 105 THR THR A . n A 1 106 GLN 106 106 106 GLN GLN A . n A 1 107 MET 107 107 107 MET MET A . n A 1 108 PHE 108 108 108 PHE PHE A . n A 1 109 GLY 109 109 109 GLY GLY A . n A 1 110 GLU 110 110 110 GLU GLU A . n A 1 111 VAL 111 111 111 VAL VAL A . n A 1 112 THR 112 112 112 THR THR A . n A 1 113 GLU 113 113 113 GLU GLU A . n A 1 114 MET 114 114 114 MET MET A . n A 1 115 PRO 115 115 115 PRO PRO A . n A 1 116 ALA 116 116 116 ALA ALA A . n A 1 117 LEU 117 117 117 LEU LEU A . n A 1 118 PRO 118 118 118 PRO PRO A . n A 1 119 PHE 119 119 119 PHE PHE A . n A 1 120 MET 120 120 120 MET MET A . n A 1 121 LEU 121 121 121 LEU LEU A . n A 1 122 ALA 122 122 122 ALA ALA A . n A 1 123 GLU 123 123 123 GLU GLU A . n A 1 124 PHE 124 124 124 PHE PHE A . n A 1 125 ASP 125 125 125 ASP ASP A . n A 1 126 GLY 126 126 126 GLY GLY A . n A 1 127 VAL 127 127 127 VAL VAL A . n A 1 128 VAL 128 128 128 VAL VAL A . n A 1 129 GLY 129 129 129 GLY GLY A . n A 1 130 MET 130 130 130 MET MET A . n A 1 131 GLY 131 131 131 GLY GLY A . n A 1 132 PHE 132 132 132 PHE PHE A . n A 1 133 ILE 133 133 133 ILE ILE A . n A 1 134 GLU 134 134 134 GLU GLU A . n A 1 135 GLN 135 135 135 GLN GLN A . n A 1 136 ALA 136 136 136 ALA ALA A . n A 1 137 ILE 137 137 137 ILE ILE A . n A 1 138 GLY 138 138 138 GLY GLY A . n A 1 139 ARG 139 139 139 ARG ARG A . n A 1 140 VAL 140 140 140 VAL VAL A . n A 1 141 THR 141 141 141 THR THR A . n A 1 142 PRO 142 142 142 PRO PRO A . n A 1 143 ILE 143 143 143 ILE ILE A . n A 1 144 PHE 144 144 144 PHE PHE A . n A 1 145 ASP 145 145 145 ASP ASP A . n A 1 146 ASN 146 146 146 ASN ASN A . n A 1 147 ILE 147 147 147 ILE ILE A . n A 1 148 ILE 148 148 148 ILE ILE A . n A 1 149 SER 149 149 149 SER SER A . n A 1 150 GLN 150 150 150 GLN GLN A . n A 1 151 GLY 151 151 151 GLY GLY A . n A 1 152 VAL 152 152 152 VAL VAL A . n A 1 153 LEU 153 153 153 LEU LEU A . n A 1 154 LYS 154 154 154 LYS LYS A . n A 1 155 GLU 155 155 155 GLU GLU A . n A 1 156 ASP 156 156 156 ASP ASP A . n A 1 157 VAL 157 157 157 VAL VAL A . n A 1 158 PHE 158 158 158 PHE PHE A . n A 1 159 SER 159 159 159 SER SER A . n A 1 160 PHE 160 160 160 PHE PHE A . n A 1 161 TYR 161 161 161 TYR TYR A . n A 1 162 TYR 162 162 162 TYR TYR A . n A 1 163 ASN 163 163 163 ASN ASN A . n A 1 164 ARG 164 164 164 ARG ARG A . n A 1 165 ASP 165 165 165 ASP ASP A . n A 1 166 SER 166 166 ? ? ? A . n A 1 167 GLU 167 167 ? ? ? A . n A 1 168 ASN 168 168 ? ? ? A . n A 1 169 SER 169 169 ? ? ? A . n A 1 170 GLN 170 170 ? ? ? A . n A 1 171 SER 171 171 171 SER SER A . n A 1 172 LEU 172 172 172 LEU LEU A . n A 1 173 GLY 173 173 173 GLY GLY A . n A 1 174 GLY 174 174 174 GLY GLY A . n A 1 175 GLN 175 175 175 GLN GLN A . n A 1 176 ILE 176 176 176 ILE ILE A . n A 1 177 VAL 177 177 177 VAL VAL A . n A 1 178 LEU 178 178 178 LEU LEU A . n A 1 179 GLY 179 179 179 GLY GLY A . n A 1 180 GLY 180 180 180 GLY GLY A . n A 1 181 SER 181 181 181 SER SER A . n A 1 182 ASP 182 182 182 ASP ASP A . n A 1 183 PRO 183 183 183 PRO PRO A . n A 1 184 GLN 184 184 184 GLN GLN A . n A 1 185 HIS 185 185 185 HIS HIS A . n A 1 186 TYR 186 186 186 TYR TYR A . n A 1 187 GLU 187 187 187 GLU GLU A . n A 1 188 GLY 188 188 188 GLY GLY A . n A 1 189 ASN 189 189 189 ASN ASN A . n A 1 190 PHE 190 190 190 PHE PHE A . n A 1 191 HIS 191 191 191 HIS HIS A . n A 1 192 TYR 192 192 192 TYR TYR A . n A 1 193 ILE 193 193 193 ILE ILE A . n A 1 194 ASN 194 194 194 ASN ASN A . n A 1 195 LEU 195 195 195 LEU LEU A . n A 1 196 ILE 196 196 196 ILE ILE A . n A 1 197 LYS 197 197 197 LYS LYS A . n A 1 198 THR 198 198 198 THR THR A . n A 1 199 GLY 199 199 199 GLY GLY A . n A 1 200 VAL 200 200 200 VAL VAL A . n A 1 201 TRP 201 201 201 TRP TRP A . n A 1 202 GLN 202 202 202 GLN GLN A . n A 1 203 ILE 203 203 203 ILE ILE A . n A 1 204 GLN 204 204 204 GLN GLN A . n A 1 205 MET 205 205 205 MET MET A . n A 1 206 LYS 206 206 206 LYS LYS A . n A 1 207 GLY 207 207 207 GLY GLY A . n A 1 208 VAL 208 208 208 VAL VAL A . n A 1 209 SER 209 209 209 SER SER A . n A 1 210 VAL 210 210 210 VAL VAL A . n A 1 211 GLY 211 211 211 GLY GLY A . n A 1 212 SER 212 212 212 SER SER A . n A 1 213 SER 213 213 213 SER SER A . n A 1 214 THR 214 214 214 THR THR A . n A 1 215 LEU 215 215 215 LEU LEU A . n A 1 216 LEU 216 216 216 LEU LEU A . n A 1 217 CYS 217 217 217 CYS CYS A . n A 1 218 GLU 218 218 218 GLU GLU A . n A 1 219 ASP 219 219 219 ASP ASP A . n A 1 220 GLY 220 220 220 GLY GLY A . n A 1 221 CYS 221 221 221 CYS CYS A . n A 1 222 LEU 222 222 222 LEU LEU A . n A 1 223 ALA 223 223 223 ALA ALA A . n A 1 224 LEU 224 224 224 LEU LEU A . n A 1 225 VAL 225 225 225 VAL VAL A . n A 1 226 ASP 226 226 226 ASP ASP A . n A 1 227 THR 227 227 227 THR THR A . n A 1 228 GLY 228 228 228 GLY GLY A . n A 1 229 ALA 229 229 229 ALA ALA A . n A 1 230 SER 230 230 230 SER SER A . n A 1 231 TYR 231 231 231 TYR TYR A . n A 1 232 ILE 232 232 232 ILE ILE A . n A 1 233 SER 233 233 233 SER SER A . n A 1 234 GLY 234 234 234 GLY GLY A . n A 1 235 SER 235 235 235 SER SER A . n A 1 236 THR 236 236 236 THR THR A . n A 1 237 SER 237 237 237 SER SER A . n A 1 238 SER 238 238 238 SER SER A . n A 1 239 ILE 239 239 239 ILE ILE A . n A 1 240 GLU 240 240 240 GLU GLU A . n A 1 241 LYS 241 241 241 LYS LYS A . n A 1 242 LEU 242 242 242 LEU LEU A . n A 1 243 MET 243 243 243 MET MET A . n A 1 244 GLU 244 244 244 GLU GLU A . n A 1 245 ALA 245 245 245 ALA ALA A . n A 1 246 LEU 246 246 246 LEU LEU A . n A 1 247 GLY 247 247 247 GLY GLY A . n A 1 248 ALA 248 248 248 ALA ALA A . n A 1 249 LYS 249 249 249 LYS LYS A . n A 1 250 LYS 250 250 250 LYS LYS A . n A 1 251 ARG 251 251 251 ARG ARG A . n A 1 252 LEU 252 252 252 LEU LEU A . n A 1 253 PHE 253 253 253 PHE PHE A . n A 1 254 ASP 254 254 254 ASP ASP A . n A 1 255 TYR 255 255 255 TYR TYR A . n A 1 256 VAL 256 256 256 VAL VAL A . n A 1 257 VAL 257 257 257 VAL VAL A . n A 1 258 LYS 258 258 258 LYS LYS A . n A 1 259 CYS 259 259 259 CYS CYS A . n A 1 260 ASN 260 260 260 ASN ASN A . n A 1 261 GLU 261 261 261 GLU GLU A . n A 1 262 GLY 262 262 262 GLY GLY A . n A 1 263 PRO 263 263 263 PRO PRO A . n A 1 264 THR 264 264 264 THR THR A . n A 1 265 LEU 265 265 265 LEU LEU A . n A 1 266 PRO 266 266 266 PRO PRO A . n A 1 267 ASP 267 267 267 ASP ASP A . n A 1 268 ILE 268 268 268 ILE ILE A . n A 1 269 SER 269 269 269 SER SER A . n A 1 270 PHE 270 270 270 PHE PHE A . n A 1 271 HIS 271 271 271 HIS HIS A . n A 1 272 LEU 272 272 272 LEU LEU A . n A 1 273 GLY 273 273 273 GLY GLY A . n A 1 274 GLY 274 274 274 GLY GLY A . n A 1 275 LYS 275 275 275 LYS LYS A . n A 1 276 GLU 276 276 276 GLU GLU A . n A 1 277 TYR 277 277 277 TYR TYR A . n A 1 278 THR 278 278 278 THR THR A . n A 1 279 LEU 279 279 279 LEU LEU A . n A 1 280 THR 280 280 280 THR THR A . n A 1 281 SER 281 281 281 SER SER A . n A 1 282 ALA 282 282 282 ALA ALA A . n A 1 283 ASP 283 283 283 ASP ASP A . n A 1 284 TYR 284 284 284 TYR TYR A . n A 1 285 VAL 285 285 285 VAL VAL A . n A 1 286 PHE 286 286 286 PHE PHE A . n A 1 287 GLN 287 287 ? ? ? A . n A 1 288 GLU 288 288 ? ? ? A . n A 1 289 SER 289 289 ? ? ? A . n A 1 290 TYR 290 290 ? ? ? A . n A 1 291 SER 291 291 ? ? ? A . n A 1 292 SER 292 292 ? ? ? A . n A 1 293 LYS 293 293 ? ? ? A . n A 1 294 LYS 294 294 ? ? ? A . n A 1 295 LEU 295 295 ? ? ? A . n A 1 296 CYS 296 296 296 CYS CYS A . n A 1 297 THR 297 297 297 THR THR A . n A 1 298 LEU 298 298 298 LEU LEU A . n A 1 299 ALA 299 299 299 ALA ALA A . n A 1 300 ILE 300 300 300 ILE ILE A . n A 1 301 HIS 301 301 301 HIS HIS A . n A 1 302 ALA 302 302 302 ALA ALA A . n A 1 303 MET 303 303 303 MET MET A . n A 1 304 ASP 304 304 304 ASP ASP A . n A 1 305 ILE 305 305 305 ILE ILE A . n A 1 306 PRO 306 306 306 PRO PRO A . n A 1 307 PRO 307 307 307 PRO PRO A . n A 1 308 PRO 308 308 308 PRO PRO A . n A 1 309 THR 309 309 309 THR THR A . n A 1 310 GLY 310 310 310 GLY GLY A . n A 1 311 PRO 311 311 311 PRO PRO A . n A 1 312 THR 312 312 312 THR THR A . n A 1 313 TRP 313 313 313 TRP TRP A . n A 1 314 ALA 314 314 314 ALA ALA A . n A 1 315 LEU 315 315 315 LEU LEU A . n A 1 316 GLY 316 316 316 GLY GLY A . n A 1 317 ALA 317 317 317 ALA ALA A . n A 1 318 THR 318 318 318 THR THR A . n A 1 319 PHE 319 319 319 PHE PHE A . n A 1 320 ILE 320 320 320 ILE ILE A . n A 1 321 ARG 321 321 321 ARG ARG A . n A 1 322 LYS 322 322 322 LYS LYS A . n A 1 323 PHE 323 323 323 PHE PHE A . n A 1 324 TYR 324 324 324 TYR TYR A . n A 1 325 THR 325 325 325 THR THR A . n A 1 326 GLU 326 326 326 GLU GLU A . n A 1 327 PHE 327 327 327 PHE PHE A . n A 1 328 ASP 328 328 328 ASP ASP A . n A 1 329 ARG 329 329 329 ARG ARG A . n A 1 330 ARG 330 330 330 ARG ARG A . n A 1 331 ASN 331 331 331 ASN ASN A . n A 1 332 ASN 332 332 332 ASN ASN A . n A 1 333 ARG 333 333 333 ARG ARG A . n A 1 334 ILE 334 334 334 ILE ILE A . n A 1 335 GLY 335 335 335 GLY GLY A . n A 1 336 PHE 336 336 336 PHE PHE A . n A 1 337 ALA 337 337 337 ALA ALA A . n A 1 338 LEU 338 338 338 LEU LEU A . n A 1 339 ALA 339 339 339 ALA ALA A . n A 1 340 ARG 340 340 340 ARG ARG A . n # _pdbx_nonpoly_scheme.asym_id B _pdbx_nonpoly_scheme.entity_id 2 _pdbx_nonpoly_scheme.mon_id NAG _pdbx_nonpoly_scheme.ndb_seq_num 1 _pdbx_nonpoly_scheme.pdb_seq_num 341 _pdbx_nonpoly_scheme.auth_seq_num 341 _pdbx_nonpoly_scheme.pdb_mon_id NAG _pdbx_nonpoly_scheme.auth_mon_id NAG _pdbx_nonpoly_scheme.pdb_strand_id A _pdbx_nonpoly_scheme.pdb_ins_code . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 75 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 75 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B # _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 1994-01-31 2 'Structure model' 1 1 2008-03-25 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2017-11-29 # _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' 'Non-polymer description' 3 3 'Structure model' 'Version format compliance' 4 4 'Structure model' 'Derived calculations' 5 4 'Structure model' Other # 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' pdbx_database_status 2 4 'Structure model' struct_conf 3 4 'Structure model' struct_conf_type # _pdbx_audit_revision_item.ordinal 1 _pdbx_audit_revision_item.revision_ordinal 4 _pdbx_audit_revision_item.data_content_type 'Structure model' _pdbx_audit_revision_item.item '_pdbx_database_status.process_site' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal X-PLOR 'model building' . ? 1 GROMOS refinement . ? 2 PROLSQ refinement . ? 3 X-PLOR refinement . ? 4 X-PLOR phasing . ? 5 # _pdbx_database_remark.id 700 _pdbx_database_remark.text ;SHEET THE C-TERMINAL DOMAIN HAS MORE STRANDS THAT ARE NOT FORMALLY HYDROGEN BONDED TO OTHER STRANDS TO FORM A SHEET. THERE ARE ALSO A FEW IN THE N-TERMINAL DOMAIN. ; # _pdbx_entry_details.entry_id 2REN _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ;THE HUMAN RENIN GENE HAS BEEN SEQUENCED BY TWO GROUPS: 1. HOBART ET AL. (1984) PNAS, V. 81, P. 5026 2. HARDMAN ET AL. (1984) DNA, V. 3, P. 457 THE EXON5-EXON6 JUNCTION IN 2. HAS A 9 BASE EXON CODING FOR AN ASP-SER-GLU TRIPEPTIDE THAT IS NOT PRESENT IN 1. IN ADDITION THE C-DNA SEQUENCE OF IMAI ET AL. (1983) PNAS, V. 80, P. 7405 IS ALSO AVAILABLE AND AGREES WITH THE GENE SEQUENCE OF HARDMAN ET AL.. THE ELECTRON DENSITY MAP OF RECOMBINANT HUMAN RENIN IS EXTREMELY POOR IN THIS REGION AND THE DEPOSITORS COULD NOT RESOLVE THIS DISCREPANCY. THE COMPLETE LOOP CONTAINING THIS TRIPEPTIDE IS DISORDERED. RESIDUE NUMBERING IN THIS ENTRY AND IN THE 1989 SCIENCE PAPER FOLLOWS THE SEQUENTIAL NUMBERING DERIVED FROM THE SEQUENCE OF HARDMAN ET AL. USED IN THIS ENTRY. ; # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 OD1 A ASP 145 ? ? NH2 A ARG 329 ? ? 2.10 2 1 OG1 A THR 236 ? ? OD2 A ASP 304 ? ? 2.16 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 N A THR 6 ? ? CA A THR 6 ? ? C A THR 6 ? ? 128.03 111.00 17.03 2.70 N 2 1 CB A ILE 11 ? ? CA A ILE 11 ? ? C A ILE 11 ? ? 127.26 111.60 15.66 2.00 N 3 1 CA A LEU 12 ? ? CB A LEU 12 ? ? CG A LEU 12 ? ? 134.33 115.30 19.03 2.30 N 4 1 CB A PHE 37 ? ? CA A PHE 37 ? ? C A PHE 37 ? ? 123.85 110.40 13.45 2.00 N 5 1 CA A VAL 44 ? ? CB A VAL 44 ? ? CG1 A VAL 44 ? ? 120.55 110.90 9.65 1.50 N 6 1 CA A VAL 46 ? ? CB A VAL 46 ? ? CG1 A VAL 46 ? ? 120.62 110.90 9.72 1.50 N 7 1 N A SER 52 ? ? CA A SER 52 ? ? CB A SER 52 ? ? 120.72 110.50 10.22 1.50 N 8 1 CB A CYS 58 ? ? CA A CYS 58 ? ? C A CYS 58 ? ? 123.44 111.50 11.94 1.20 N 9 1 CB A ASP 65 ? ? CG A ASP 65 ? ? OD1 A ASP 65 ? ? 128.51 118.30 10.21 0.90 N 10 1 N A LYS 73 ? ? CA A LYS 73 ? ? CB A LYS 73 ? ? 121.58 110.60 10.98 1.80 N 11 1 CA A LEU 79 ? ? CB A LEU 79 ? ? CG A LEU 79 ? ? 129.21 115.30 13.91 2.30 N 12 1 CA A GLY 86 ? ? C A GLY 86 ? ? O A GLY 86 ? ? 132.41 120.60 11.81 1.80 N 13 1 CB A VAL 99 ? ? CA A VAL 99 ? ? C A VAL 99 ? ? 122.95 111.40 11.55 1.90 N 14 1 N A ILE 102 ? ? CA A ILE 102 ? ? C A ILE 102 ? ? 94.63 111.00 -16.37 2.70 N 15 1 N A MET 107 ? ? CA A MET 107 ? ? C A MET 107 ? ? 94.47 111.00 -16.53 2.70 N 16 1 CA A LEU 121 ? ? CB A LEU 121 ? ? CG A LEU 121 ? ? 133.70 115.30 18.40 2.30 N 17 1 CB A ASP 125 ? ? CG A ASP 125 ? ? OD2 A ASP 125 ? ? 111.54 118.30 -6.76 0.90 N 18 1 NE A ARG 139 ? ? CZ A ARG 139 ? ? NH1 A ARG 139 ? ? 124.09 120.30 3.79 0.50 N 19 1 NE A ARG 139 ? ? CZ A ARG 139 ? ? NH2 A ARG 139 ? ? 116.40 120.30 -3.90 0.50 N 20 1 CB A ASP 156 ? ? CG A ASP 156 ? ? OD1 A ASP 156 ? ? 126.74 118.30 8.44 0.90 N 21 1 CB A ASP 156 ? ? CG A ASP 156 ? ? OD2 A ASP 156 ? ? 112.78 118.30 -5.52 0.90 N 22 1 NE A ARG 164 ? ? CZ A ARG 164 ? ? NH1 A ARG 164 ? ? 123.77 120.30 3.47 0.50 N 23 1 CA A LEU 172 ? ? CB A LEU 172 ? ? CG A LEU 172 ? ? 141.59 115.30 26.29 2.30 N 24 1 N A SER 181 ? ? CA A SER 181 ? ? CB A SER 181 ? ? 124.00 110.50 13.50 1.50 N 25 1 CB A ASP 182 ? ? CG A ASP 182 ? ? OD1 A ASP 182 ? ? 111.64 118.30 -6.66 0.90 N 26 1 CB A ASP 182 ? ? CG A ASP 182 ? ? OD2 A ASP 182 ? ? 129.58 118.30 11.28 0.90 N 27 1 N A HIS 191 ? ? CA A HIS 191 ? ? CB A HIS 191 ? ? 123.02 110.60 12.42 1.80 N 28 1 N A HIS 191 ? ? CA A HIS 191 ? ? C A HIS 191 ? ? 94.77 111.00 -16.23 2.70 N 29 1 CA A THR 198 ? ? CB A THR 198 ? ? CG2 A THR 198 ? ? 124.47 112.40 12.07 1.40 N 30 1 CB A ILE 203 ? ? CA A ILE 203 ? ? C A ILE 203 ? ? 126.25 111.60 14.65 2.00 N 31 1 N A SER 212 ? ? CA A SER 212 ? ? CB A SER 212 ? ? 131.80 110.50 21.30 1.50 N 32 1 N A SER 213 ? ? CA A SER 213 ? ? CB A SER 213 ? ? 100.34 110.50 -10.16 1.50 N 33 1 CA A CYS 217 ? ? CB A CYS 217 ? ? SG A CYS 217 ? ? 123.26 114.20 9.06 1.10 N 34 1 CA A LEU 224 ? ? CB A LEU 224 ? ? CG A LEU 224 ? ? 130.39 115.30 15.09 2.30 N 35 1 CB A ASP 226 ? ? CG A ASP 226 ? ? OD1 A ASP 226 ? ? 128.04 118.30 9.74 0.90 N 36 1 CD A ARG 251 ? ? NE A ARG 251 ? ? CZ A ARG 251 ? ? 133.87 123.60 10.27 1.40 N 37 1 NE A ARG 251 ? ? CZ A ARG 251 ? ? NH1 A ARG 251 ? ? 124.50 120.30 4.20 0.50 N 38 1 NE A ARG 251 ? ? CZ A ARG 251 ? ? NH2 A ARG 251 ? ? 116.34 120.30 -3.96 0.50 N 39 1 CA A LEU 252 ? ? C A LEU 252 ? ? O A LEU 252 ? ? 134.43 120.10 14.33 2.10 N 40 1 C A LEU 252 ? ? N A PHE 253 ? ? CA A PHE 253 ? ? 139.19 121.70 17.49 2.50 Y 41 1 CA A PHE 253 ? ? CB A PHE 253 ? ? CG A PHE 253 ? ? 97.51 113.90 -16.39 2.40 N 42 1 CA A PHE 253 ? ? C A PHE 253 ? ? O A PHE 253 ? ? 144.33 120.10 24.23 2.10 N 43 1 CA A PHE 253 ? ? C A PHE 253 ? ? N A ASP 254 ? ? 103.77 117.20 -13.43 2.20 Y 44 1 O A PHE 253 ? ? C A PHE 253 ? ? N A ASP 254 ? ? 111.89 122.70 -10.81 1.60 Y 45 1 C A PHE 253 ? ? N A ASP 254 ? ? CA A ASP 254 ? ? 150.76 121.70 29.06 2.50 Y 46 1 CB A ASP 283 ? ? CG A ASP 283 ? ? OD2 A ASP 283 ? ? 126.49 118.30 8.19 0.90 N 47 1 CA A LEU 298 ? ? CB A LEU 298 ? ? CG A LEU 298 ? ? 131.08 115.30 15.78 2.30 N 48 1 N A PRO 307 ? ? CA A PRO 307 ? ? C A PRO 307 ? ? 95.70 112.10 -16.40 2.60 N 49 1 NE A ARG 321 ? ? CZ A ARG 321 ? ? NH1 A ARG 321 ? ? 117.21 120.30 -3.09 0.50 N 50 1 CB A TYR 324 ? ? CG A TYR 324 ? ? CD2 A TYR 324 ? ? 126.16 121.00 5.16 0.60 N 51 1 CB A TYR 324 ? ? CG A TYR 324 ? ? CD1 A TYR 324 ? ? 116.73 121.00 -4.27 0.60 N 52 1 CD A ARG 329 ? ? NE A ARG 329 ? ? CZ A ARG 329 ? ? 133.94 123.60 10.34 1.40 N 53 1 NH1 A ARG 329 ? ? CZ A ARG 329 ? ? NH2 A ARG 329 ? ? 128.68 119.40 9.28 1.10 N 54 1 NE A ARG 329 ? ? CZ A ARG 329 ? ? NH2 A ARG 329 ? ? 108.73 120.30 -11.57 0.50 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASP A 17 ? ? 59.72 -2.26 2 1 THR A 39 ? ? -59.06 -8.05 3 1 ALA A 57 ? ? -59.46 31.84 4 1 ASN A 75 ? ? -124.04 -64.12 5 1 ASP A 95 ? ? -170.05 -176.62 6 1 LEU A 121 ? ? -109.62 68.45 7 1 THR A 141 ? ? -42.03 109.17 8 1 LEU A 172 ? ? -152.81 -47.41 9 1 GLN A 175 ? ? -170.71 128.96 10 1 LYS A 206 ? ? -114.07 63.80 11 1 VAL A 210 ? ? -88.17 49.64 12 1 SER A 212 ? ? -154.11 11.67 13 1 SER A 213 ? ? -147.56 -57.91 14 1 THR A 214 ? ? -46.99 157.91 15 1 ASP A 219 ? ? -173.27 -50.70 16 1 LEU A 246 ? ? -171.30 -55.98 17 1 ALA A 248 ? ? 72.19 -128.16 18 1 LYS A 249 ? ? 73.62 86.46 19 1 ARG A 251 ? ? 51.79 -140.70 20 1 PHE A 253 ? ? 39.22 73.58 21 1 ASP A 254 ? ? 41.03 99.30 22 1 TYR A 255 ? ? 50.32 102.96 23 1 GLU A 261 ? ? -106.79 76.53 24 1 ALA A 299 ? ? -76.90 22.02 25 1 MET A 303 ? ? -172.89 74.38 # _pdbx_validate_planes.id 1 _pdbx_validate_planes.PDB_model_num 1 _pdbx_validate_planes.auth_comp_id ARG _pdbx_validate_planes.auth_asym_id A _pdbx_validate_planes.auth_seq_id 330 _pdbx_validate_planes.PDB_ins_code ? _pdbx_validate_planes.label_alt_id ? _pdbx_validate_planes.rmsd 0.182 _pdbx_validate_planes.type 'SIDE CHAIN' # _pdbx_validate_chiral.id 1 _pdbx_validate_chiral.PDB_model_num 1 _pdbx_validate_chiral.auth_atom_id C1 _pdbx_validate_chiral.label_alt_id ? _pdbx_validate_chiral.auth_asym_id A _pdbx_validate_chiral.auth_comp_id NAG _pdbx_validate_chiral.auth_seq_id 341 _pdbx_validate_chiral.PDB_ins_code ? _pdbx_validate_chiral.details PLANAR _pdbx_validate_chiral.omega . # 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 LEU 1 ? A LEU 1 2 1 Y 1 A THR 2 ? A THR 2 3 1 Y 1 A LEU 3 ? A LEU 3 4 1 Y 1 A ARG 53 ? A ARG 53 5 1 Y 1 A LEU 54 ? A LEU 54 6 1 Y 1 A TYR 55 ? A TYR 55 7 1 Y 1 A SER 166 ? A SER 166 8 1 Y 1 A GLU 167 ? A GLU 167 9 1 Y 1 A ASN 168 ? A ASN 168 10 1 Y 1 A SER 169 ? A SER 169 11 1 Y 1 A GLN 170 ? A GLN 170 12 1 Y 1 A GLN 287 ? A GLN 287 13 1 Y 1 A GLU 288 ? A GLU 288 14 1 Y 1 A SER 289 ? A SER 289 15 1 Y 1 A TYR 290 ? A TYR 290 16 1 Y 1 A SER 291 ? A SER 291 17 1 Y 1 A SER 292 ? A SER 292 18 1 Y 1 A LYS 293 ? A LYS 293 19 1 Y 1 A LYS 294 ? A LYS 294 20 1 Y 1 A LEU 295 ? A LEU 295 # _pdbx_entity_nonpoly.entity_id 2 _pdbx_entity_nonpoly.name N-ACETYL-D-GLUCOSAMINE _pdbx_entity_nonpoly.comp_id NAG #