data_2WED # _entry.id 2WED # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.292 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 2WED WWPDB D_1000178747 # _pdbx_database_PDB_obs_spr.id SPRSDE _pdbx_database_PDB_obs_spr.date 1998-05-27 _pdbx_database_PDB_obs_spr.pdb_id 2WED _pdbx_database_PDB_obs_spr.replace_pdb_id 1WED _pdbx_database_PDB_obs_spr.details ? # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2WED _pdbx_database_status.recvd_initial_deposition_date 1998-02-03 _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 'Ding, J.' 1 'Fraser, M.E.' 2 'James, M.N.G.' 3 # loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.journal_id_ASTM _citation.country _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_publisher _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary ;Macrocyclic Inhibitors of Penicillopepsin. II. X-Ray Crystallographic Analyses of Penicillopepsin Complexed with a P3-P1 Macrocyclic Peptidyl Inhibitor and with its Two Acyclic Analogues ; J.Am.Chem.Soc. 120 4610 4621 1998 JACSAT US 0002-7863 0004 ? -1 ? 1 'Macrocyclic Inhibitors of Penicillopepsin. I. Design, Synthesis, and Evaluation of an Inhibitor Bridged between P1 and P3' 'To be Published' ? ? ? ? ? ? ? 0353 ? ? ? 2 'Crystallographic Analysis of Transition-State Mimics Bound to Penicillopepsin: Phosphorus-Containing Peptide Analogues' Biochemistry 31 5201 ? 1992 BICHAW US 0006-2960 0033 ? ? ? 3 ;Crystallographic Analysis of Transition State Mimics Bound to Penicillopepsin: Difluorostatine-and Difluorostatone-Containing Peptides ; Biochemistry 31 3872 ? 1992 BICHAW US 0006-2960 0033 ? ? ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Ding, J.' 1 primary 'Fraser, M.E.' 2 primary 'Meyer, J.H.' 3 primary 'Bartlett, P.A.' 4 primary 'James, M.N.G.' 5 1 'Meyer, J.H.' 6 1 'Bartlett, P.A.' 7 2 'Fraser, M.E.' 8 2 'Strynadka, N.C.' 9 2 'Bartlett, P.A.' 10 2 'Hanson, J.E.' 11 2 'James, M.N.' 12 3 'James, M.N.' 13 3 'Sielecki, A.R.' 14 3 'Hayakawa, K.' 15 3 'Gelb, M.H.' 16 # _cell.entry_id 2WED _cell.length_a 97.880 _cell.length_b 46.640 _cell.length_c 66.590 _cell.angle_alpha 90.00 _cell.angle_beta 116.14 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 2WED _symmetry.space_group_name_H-M 'C 1 2 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 5 # 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 nat PENICILLOPEPSIN 33468.809 1 3.4.23.20 ? ? ? 2 non-polymer man ALPHA-D-MANNOSE 180.156 2 ? ? ? ? 3 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 4 non-polymer syn ;METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE] ; 551.547 1 ? ? ? ? 5 water nat water 18.015 281 ? ? ? ? # _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 ;AASGVATNTPTANDEEYITPVTIGGTTLNLNFDTGSADLWVFSTELPASQQSGHSVYNPSATGKELSGYTWSISYGDGSS ASGNVFTDSVTVGGVTAHGQAVQAAQQISAQFQQDTNNDGLLGLAFSSINTVQPQSQTTFFDTVKSSLAQPLFAVALKHQ QPGVYDFGFIDSSKYTGSLTYTGVDNSQGFWSFNVDSYTAGSQSGDGFSGIADTGTTLLLLDDSVVSQYYSQVSGAQQDS NAGGYVFDCSTNLPDFSVSISGYTATVPGSLINYGPSGDGSTCLGGIQSNSGIGFSIFGDIFLKSQYVVFDSDGPQLGFA PQA ; _entity_poly.pdbx_seq_one_letter_code_can ;AASGVATNTPTANDEEYITPVTIGGTTLNLNFDTGSADLWVFSTELPASQQSGHSVYNPSATGKELSGYTWSISYGDGSS ASGNVFTDSVTVGGVTAHGQAVQAAQQISAQFQQDTNNDGLLGLAFSSINTVQPQSQTTFFDTVKSSLAQPLFAVALKHQ QPGVYDFGFIDSSKYTGSLTYTGVDNSQGFWSFNVDSYTAGSQSGDGFSGIADTGTTLLLLDDSVVSQYYSQVSGAQQDS NAGGYVFDCSTNLPDFSVSISGYTATVPGSLINYGPSGDGSTCLGGIQSNSGIGFSIFGDIFLKSQYVVFDSDGPQLGFA PQA ; _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 ALA n 1 2 ALA n 1 3 SER n 1 4 GLY n 1 5 VAL n 1 6 ALA n 1 7 THR n 1 8 ASN n 1 9 THR n 1 10 PRO n 1 11 THR n 1 12 ALA n 1 13 ASN n 1 14 ASP n 1 15 GLU n 1 16 GLU n 1 17 TYR n 1 18 ILE n 1 19 THR n 1 20 PRO n 1 21 VAL n 1 22 THR n 1 23 ILE n 1 24 GLY n 1 25 GLY n 1 26 THR n 1 27 THR n 1 28 LEU n 1 29 ASN n 1 30 LEU n 1 31 ASN n 1 32 PHE n 1 33 ASP n 1 34 THR n 1 35 GLY n 1 36 SER n 1 37 ALA n 1 38 ASP n 1 39 LEU n 1 40 TRP n 1 41 VAL n 1 42 PHE n 1 43 SER n 1 44 THR n 1 45 GLU n 1 46 LEU n 1 47 PRO n 1 48 ALA n 1 49 SER n 1 50 GLN n 1 51 GLN n 1 52 SER n 1 53 GLY n 1 54 HIS n 1 55 SER n 1 56 VAL n 1 57 TYR n 1 58 ASN n 1 59 PRO n 1 60 SER n 1 61 ALA n 1 62 THR n 1 63 GLY n 1 64 LYS n 1 65 GLU n 1 66 LEU n 1 67 SER n 1 68 GLY n 1 69 TYR n 1 70 THR n 1 71 TRP n 1 72 SER n 1 73 ILE n 1 74 SER n 1 75 TYR n 1 76 GLY n 1 77 ASP n 1 78 GLY n 1 79 SER n 1 80 SER n 1 81 ALA n 1 82 SER n 1 83 GLY n 1 84 ASN n 1 85 VAL n 1 86 PHE n 1 87 THR n 1 88 ASP n 1 89 SER n 1 90 VAL n 1 91 THR n 1 92 VAL n 1 93 GLY n 1 94 GLY n 1 95 VAL n 1 96 THR n 1 97 ALA n 1 98 HIS n 1 99 GLY n 1 100 GLN n 1 101 ALA n 1 102 VAL n 1 103 GLN n 1 104 ALA n 1 105 ALA n 1 106 GLN n 1 107 GLN n 1 108 ILE n 1 109 SER n 1 110 ALA n 1 111 GLN n 1 112 PHE n 1 113 GLN n 1 114 GLN n 1 115 ASP n 1 116 THR n 1 117 ASN n 1 118 ASN n 1 119 ASP n 1 120 GLY n 1 121 LEU n 1 122 LEU n 1 123 GLY n 1 124 LEU n 1 125 ALA n 1 126 PHE n 1 127 SER n 1 128 SER n 1 129 ILE n 1 130 ASN n 1 131 THR n 1 132 VAL n 1 133 GLN n 1 134 PRO n 1 135 GLN n 1 136 SER n 1 137 GLN n 1 138 THR n 1 139 THR n 1 140 PHE n 1 141 PHE n 1 142 ASP n 1 143 THR n 1 144 VAL n 1 145 LYS n 1 146 SER n 1 147 SER n 1 148 LEU n 1 149 ALA n 1 150 GLN n 1 151 PRO n 1 152 LEU n 1 153 PHE n 1 154 ALA n 1 155 VAL n 1 156 ALA n 1 157 LEU n 1 158 LYS n 1 159 HIS n 1 160 GLN n 1 161 GLN n 1 162 PRO n 1 163 GLY n 1 164 VAL n 1 165 TYR n 1 166 ASP n 1 167 PHE n 1 168 GLY n 1 169 PHE n 1 170 ILE n 1 171 ASP n 1 172 SER n 1 173 SER n 1 174 LYS n 1 175 TYR n 1 176 THR n 1 177 GLY n 1 178 SER n 1 179 LEU n 1 180 THR n 1 181 TYR n 1 182 THR n 1 183 GLY n 1 184 VAL n 1 185 ASP n 1 186 ASN n 1 187 SER n 1 188 GLN n 1 189 GLY n 1 190 PHE n 1 191 TRP n 1 192 SER n 1 193 PHE n 1 194 ASN n 1 195 VAL n 1 196 ASP n 1 197 SER n 1 198 TYR n 1 199 THR n 1 200 ALA n 1 201 GLY n 1 202 SER n 1 203 GLN n 1 204 SER n 1 205 GLY n 1 206 ASP n 1 207 GLY n 1 208 PHE n 1 209 SER n 1 210 GLY n 1 211 ILE n 1 212 ALA n 1 213 ASP n 1 214 THR n 1 215 GLY n 1 216 THR n 1 217 THR n 1 218 LEU n 1 219 LEU n 1 220 LEU n 1 221 LEU n 1 222 ASP n 1 223 ASP n 1 224 SER n 1 225 VAL n 1 226 VAL n 1 227 SER n 1 228 GLN n 1 229 TYR n 1 230 TYR n 1 231 SER n 1 232 GLN n 1 233 VAL n 1 234 SER n 1 235 GLY n 1 236 ALA n 1 237 GLN n 1 238 GLN n 1 239 ASP n 1 240 SER n 1 241 ASN n 1 242 ALA n 1 243 GLY n 1 244 GLY n 1 245 TYR n 1 246 VAL n 1 247 PHE n 1 248 ASP n 1 249 CYS n 1 250 SER n 1 251 THR n 1 252 ASN n 1 253 LEU n 1 254 PRO n 1 255 ASP n 1 256 PHE n 1 257 SER n 1 258 VAL n 1 259 SER n 1 260 ILE n 1 261 SER n 1 262 GLY n 1 263 TYR n 1 264 THR n 1 265 ALA n 1 266 THR n 1 267 VAL n 1 268 PRO n 1 269 GLY n 1 270 SER n 1 271 LEU n 1 272 ILE n 1 273 ASN n 1 274 TYR n 1 275 GLY n 1 276 PRO n 1 277 SER n 1 278 GLY n 1 279 ASP n 1 280 GLY n 1 281 SER n 1 282 THR n 1 283 CYS n 1 284 LEU n 1 285 GLY n 1 286 GLY n 1 287 ILE n 1 288 GLN n 1 289 SER n 1 290 ASN n 1 291 SER n 1 292 GLY n 1 293 ILE n 1 294 GLY n 1 295 PHE n 1 296 SER n 1 297 ILE n 1 298 PHE n 1 299 GLY n 1 300 ASP n 1 301 ILE n 1 302 PHE n 1 303 LEU n 1 304 LYS n 1 305 SER n 1 306 GLN n 1 307 TYR n 1 308 VAL n 1 309 VAL n 1 310 PHE n 1 311 ASP n 1 312 SER n 1 313 ASP n 1 314 GLY n 1 315 PRO n 1 316 GLN n 1 317 LEU n 1 318 GLY n 1 319 PHE n 1 320 ALA n 1 321 PRO n 1 322 GLN n 1 323 ALA n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name ? _entity_src_nat.pdbx_organism_scientific 'Penicillium janthinellum' _entity_src_nat.pdbx_ncbi_taxonomy_id 5079 _entity_src_nat.genus Penicillium _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code PENP_PENJA _struct_ref.entity_id 1 _struct_ref.pdbx_db_accession P00798 _struct_ref.pdbx_align_begin 1 _struct_ref.pdbx_seq_one_letter_code ;AASGVATNTPTANDEEYITPVTIGGTTLNLNFDTGSADLWVFSTELPASQQSGHSVYNPSATGKELSGYTWSISYGDGSS ASGNVFTDSVTVGGVTAHGQAVQAAQQISAQFQQDTNNDGLLGLAFSSINTVQPQSQTTFFDTVKSSLAQPLFAVALKHQ QPGVYDFGFIDSSKYTGSLTYTGVDNSQGFWSFNVDSYTAGSQSGDGFSGIADTGTTLLLLDDSVVSQYYSQVSGAQQDS NAGGYVFDCSTNLPDFSVSISGYTATVPGSLINYGPSGDGSTCLGGIQSNSGIGFSIFGDIFLKSQYVVFDSDGPQLGFA PQA ; _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 2WED _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 323 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P00798 _struct_ref_seq.db_align_beg 1 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 323 _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 323 # 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 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 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PP6 non-polymer . ;METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE] ; ? 'C29 H32 N2 O7 P -1' 551.547 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 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 2WED _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.04 _exptl_crystal.density_percent_sol 39.64 _exptl_crystal.description ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 4.4 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '0.1M NAC2H3O2 PH=4.4 35-40% SATURATED (NH4)2SO4' # _diffrn.id 1 _diffrn.ambient_temp 293 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type MACSCIENCE _diffrn_detector.pdbx_collection_date 1997-02-16 _diffrn_detector.details 'DOUBLE-MIRRORS FOCUSING' # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.5418 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type OTHER _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength 1.5418 _diffrn_source.pdbx_wavelength_list ? # _reflns.entry_id 2WED _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 20.0 _reflns.d_resolution_high 1.5 _reflns.number_obs 38650 _reflns.number_all ? _reflns.percent_possible_obs 89.18 _reflns.pdbx_Rmerge_I_obs 0.079 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 20.98 _reflns.B_iso_Wilson_estimate 13.64 _reflns.pdbx_redundancy 4.2 _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 # _reflns_shell.d_res_high 1.50 _reflns_shell.d_res_low 1.55 _reflns_shell.percent_possible_all 77.55 _reflns_shell.Rmerge_I_obs 0.289 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 3.4 _reflns_shell.pdbx_redundancy ? _reflns_shell.pdbx_diffrn_id ? _reflns_shell.pdbx_ordinal 1 # _refine.entry_id 2WED _refine.ls_number_reflns_obs 36649 _refine.ls_number_reflns_all 38650 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 2.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 20.0 _refine.ls_d_res_high 1.5 _refine.ls_percent_reflns_obs 84. _refine.ls_R_factor_obs 0.158 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.154 _refine.ls_R_factor_R_free 0.19 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 10.0 _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 0.631 _refine.solvent_model_param_bsol 118.5 _refine.pdbx_ls_cross_valid_method ? _refine.details 'X-PLOR, TNT ESD FROM SIGMAA (A) : 0.149658 UNCERTAINTY IN RMS ERROR SQUARED : 0.002037' _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'DIFFERENCE FOURIER METHOD' _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 2375 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 72 _refine_hist.number_atoms_solvent 281 _refine_hist.number_atoms_total 2728 _refine_hist.d_res_high 1.5 _refine_hist.d_res_low 20.0 # 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 t_bond_d 0.010 ? 1.0 2507 'X-RAY DIFFRACTION' ? t_angle_deg 1.305 ? 1.0 3400 'X-RAY DIFFRACTION' ? t_dihedral_angle_d 14.988 ? 5. 1407 'X-RAY DIFFRACTION' ? t_incorr_chiral_ct 0 ? ? ? 'X-RAY DIFFRACTION' ? t_pseud_angle ? ? ? ? 'X-RAY DIFFRACTION' ? t_trig_c_planes 0.012 ? 2. 68 'X-RAY DIFFRACTION' ? t_gen_planes 0.019 ? 3. 367 'X-RAY DIFFRACTION' ? t_it 1.456 ? 0.55 2507 'X-RAY DIFFRACTION' ? t_nbd 0.019 ? 9. 37 'X-RAY DIFFRACTION' ? # _pdbx_refine.entry_id 2WED _pdbx_refine.R_factor_all_no_cutoff 0.163 _pdbx_refine.R_factor_obs_no_cutoff 0.159 _pdbx_refine.free_R_factor_no_cutoff 0.198 _pdbx_refine.free_R_val_test_set_size_perc_no_cutoff 10.0 _pdbx_refine.free_R_val_test_set_ct_no_cutoff ? _pdbx_refine.R_factor_all_4sig_cutoff ? _pdbx_refine.R_factor_obs_4sig_cutoff ? _pdbx_refine.free_R_factor_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_ct_4sig_cutoff ? _pdbx_refine.number_reflns_obs_4sig_cutoff ? _pdbx_refine.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine.free_R_error_no_cutoff ? # _struct.entry_id 2WED _struct.title ;ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE MACROCYCLIC INHIBITOR:METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE], SODIUM SALT ; _struct.pdbx_descriptor ;PENICILLOPEPSIN, METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE] ; _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2WED _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'PENICILLOPEPSIN, MACROCYCLIC INHIBITOR, HYDROLASE' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? E N N 4 ? F N N 5 ? # _struct_biol.id 1 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 ALA A 12 ? ASP A 14 ? ALA A 12 ASP A 14 5 ? 3 HELX_P HELX_P2 2 ALA A 48 ? GLN A 51 ? ALA A 48 GLN A 51 1 ? 4 HELX_P HELX_P3 3 PRO A 59 ? THR A 62 ? PRO A 59 THR A 62 1 ? 4 HELX_P HELX_P4 4 ALA A 110 ? GLN A 114 ? ALA A 110 GLN A 114 1 ? 5 HELX_P HELX_P5 5 SER A 127 ? ILE A 129 ? SER A 127 ILE A 129 5 ? 3 HELX_P HELX_P6 6 PHE A 140 ? SER A 147 ? PHE A 140 SER A 147 1 ? 8 HELX_P HELX_P7 7 SER A 172 ? LYS A 174 ? SER A 172 LYS A 174 5 ? 3 HELX_P HELX_P8 8 ASP A 223 ? GLN A 232 ? ASP A 223 GLN A 232 1 ? 10 HELX_P HELX_P9 9 GLY A 269 ? ILE A 272 ? GLY A 269 ILE A 272 1 ? 4 HELX_P HELX_P10 10 ASP A 300 ? SER A 305 ? ASP A 300 SER A 305 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 249 SG ? ? ? 1_555 A CYS 283 SG ? ? A CYS 249 A CYS 283 1_555 ? ? ? ? ? ? ? 2.038 ? covale1 covale ? ? A SER 3 OG ? ? ? 1_555 B MAN . C1 ? ? A SER 3 A MAN 324 1_555 ? ? ? ? ? ? ? 1.402 ? covale2 covale ? ? A THR 7 OG1 ? ? ? 1_555 C MAN . C1 ? ? A THR 7 A MAN 325 1_555 ? ? ? ? ? ? ? 1.408 ? # 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 GLN 133 A . ? GLN 133 A PRO 134 A ? PRO 134 A 1 0.13 2 GLY 314 A . ? GLY 314 A PRO 315 A ? PRO 315 A 1 -5.58 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 10 ? B ? 3 ? C ? 2 ? D ? 3 ? E ? 4 ? F ? 2 ? G ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel A 5 6 ? anti-parallel A 6 7 ? anti-parallel A 7 8 ? anti-parallel A 8 9 ? anti-parallel A 9 10 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel C 1 2 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel F 1 2 ? parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel G 3 4 ? 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 LEU A 39 ? VAL A 41 ? LEU A 39 VAL A 41 A 2 GLY A 120 ? GLY A 123 ? GLY A 120 GLY A 123 A 3 THR A 26 ? ASP A 33 ? THR A 26 ASP A 33 A 4 TYR A 17 ? ILE A 23 ? TYR A 17 ILE A 23 A 5 GLY A 4 ? PRO A 10 ? GLY A 4 PRO A 10 A 6 GLY A 163 ? PHE A 167 ? GLY A 163 PHE A 167 A 7 LEU A 152 ? ALA A 156 ? LEU A 152 ALA A 156 A 8 GLN A 306 ? ASP A 311 ? GLN A 306 ASP A 311 A 9 GLN A 316 ? PRO A 321 ? GLN A 316 PRO A 321 A 10 THR A 180 ? GLY A 183 ? THR A 180 GLY A 183 B 1 THR A 70 ? SER A 74 ? THR A 70 SER A 74 B 2 SER A 80 ? ASP A 88 ? SER A 80 ASP A 88 B 3 GLN A 100 ? ILE A 108 ? GLN A 100 ILE A 108 C 1 VAL A 90 ? VAL A 92 ? VAL A 90 VAL A 92 C 2 VAL A 95 ? ALA A 97 ? VAL A 95 ALA A 97 D 1 SER A 192 ? VAL A 195 ? SER A 192 VAL A 195 D 2 PHE A 208 ? ALA A 212 ? PHE A 208 ALA A 212 D 3 SER A 296 ? PHE A 298 ? SER A 296 PHE A 298 E 1 GLN A 203 ? ASP A 206 ? GLN A 203 ASP A 206 E 2 SER A 197 ? ALA A 200 ? SER A 197 ALA A 200 E 3 PHE A 256 ? ILE A 260 ? PHE A 256 ILE A 260 E 4 TYR A 263 ? VAL A 267 ? TYR A 263 VAL A 267 F 1 LEU A 219 ? LEU A 221 ? LEU A 219 LEU A 221 F 2 ILE A 287 ? SER A 289 ? ILE A 287 SER A 289 G 1 GLN A 237 ? ASP A 239 ? GLN A 237 ASP A 239 G 2 GLY A 244 ? ASP A 248 ? GLY A 244 ASP A 248 G 3 THR A 282 ? GLY A 285 ? THR A 282 GLY A 285 G 4 ASN A 273 ? PRO A 276 ? ASN A 273 PRO A 276 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 O TRP A 40 ? O TRP A 40 N LEU A 121 ? N LEU A 121 A 2 3 O LEU A 122 ? O LEU A 122 N ASN A 31 ? N ASN A 31 A 3 4 O THR A 26 ? O THR A 26 N ILE A 23 ? N ILE A 23 A 4 5 O ILE A 18 ? O ILE A 18 N THR A 9 ? N THR A 9 A 5 6 O GLY A 4 ? O GLY A 4 N PHE A 167 ? N PHE A 167 A 6 7 O VAL A 164 ? O VAL A 164 N ALA A 156 ? N ALA A 156 A 7 8 O PHE A 153 ? O PHE A 153 N PHE A 310 ? N PHE A 310 A 8 9 O TYR A 307 ? O TYR A 307 N ALA A 320 ? N ALA A 320 A 9 10 O LEU A 317 ? O LEU A 317 N THR A 182 ? N THR A 182 B 1 2 O TRP A 71 ? O TRP A 71 N GLY A 83 ? N GLY A 83 B 2 3 O SER A 82 ? O SER A 82 N GLN A 107 ? N GLN A 107 C 1 2 O VAL A 90 ? O VAL A 90 N ALA A 97 ? N ALA A 97 D 1 2 O PHE A 193 ? O PHE A 193 N GLY A 210 ? N GLY A 210 D 2 3 O ILE A 211 ? O ILE A 211 N SER A 296 ? N SER A 296 E 1 2 O GLN A 203 ? O GLN A 203 N ALA A 200 ? N ALA A 200 E 2 3 O SER A 197 ? O SER A 197 N SER A 259 ? N SER A 259 E 3 4 O PHE A 256 ? O PHE A 256 N VAL A 267 ? N VAL A 267 F 1 2 O LEU A 219 ? O LEU A 219 N GLN A 288 ? N GLN A 288 G 1 2 O GLN A 237 ? O GLN A 237 N VAL A 246 ? N VAL A 246 G 2 3 O PHE A 247 ? O PHE A 247 N CYS A 283 ? N CYS A 283 G 3 4 O LEU A 284 ? O LEU A 284 N GLY A 275 ? N GLY A 275 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details CIC Unknown ? ? ? ? 2 'CATALYTIC SITE.' AC1 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE MAN A 324' AC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE MAN A 325' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 326' AC4 Software ? ? ? ? 16 'BINDING SITE FOR RESIDUE PP6 A 327' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 CIC 2 ASP A 33 ? ASP A 33 . ? 1_555 ? 2 CIC 2 ASP A 213 ? ASP A 213 . ? 1_555 ? 3 AC1 8 SER A 3 ? SER A 3 . ? 1_555 ? 4 AC1 8 THR A 9 ? THR A 9 . ? 4_555 ? 5 AC1 8 PRO A 10 ? PRO A 10 . ? 4_555 ? 6 AC1 8 THR A 11 ? THR A 11 . ? 4_555 ? 7 AC1 8 GLN A 160 ? GLN A 160 . ? 4_555 ? 8 AC1 8 GLN A 161 ? GLN A 161 . ? 4_555 ? 9 AC1 8 PRO A 162 ? PRO A 162 . ? 4_555 ? 10 AC1 8 HOH F . ? HOH A 360 . ? 4_555 ? 11 AC2 6 VAL A 5 ? VAL A 5 . ? 1_555 ? 12 AC2 6 THR A 7 ? THR A 7 . ? 1_555 ? 13 AC2 6 GLN A 150 ? GLN A 150 . ? 4_545 ? 14 AC2 6 HOH F . ? HOH A 434 . ? 1_555 ? 15 AC2 6 HOH F . ? HOH A 572 . ? 4_545 ? 16 AC2 6 HOH F . ? HOH A 582 . ? 4_545 ? 17 AC3 4 TYR A 175 ? TYR A 175 . ? 1_555 ? 18 AC3 4 GLY A 177 ? GLY A 177 . ? 1_555 ? 19 AC3 4 SER A 178 ? SER A 178 . ? 1_555 ? 20 AC3 4 LEU A 179 ? LEU A 179 . ? 1_555 ? 21 AC4 16 ASP A 33 ? ASP A 33 . ? 1_555 ? 22 AC4 16 GLY A 35 ? GLY A 35 . ? 1_555 ? 23 AC4 16 SER A 74 ? SER A 74 . ? 1_555 ? 24 AC4 16 TYR A 75 ? TYR A 75 . ? 1_555 ? 25 AC4 16 GLY A 76 ? GLY A 76 . ? 1_555 ? 26 AC4 16 ASP A 77 ? ASP A 77 . ? 1_555 ? 27 AC4 16 SER A 79 ? SER A 79 . ? 1_555 ? 28 AC4 16 GLN A 133 ? GLN A 133 . ? 2_656 ? 29 AC4 16 PRO A 134 ? PRO A 134 . ? 2_656 ? 30 AC4 16 ASP A 213 ? ASP A 213 . ? 1_555 ? 31 AC4 16 GLY A 215 ? GLY A 215 . ? 1_555 ? 32 AC4 16 THR A 216 ? THR A 216 . ? 1_555 ? 33 AC4 16 THR A 217 ? THR A 217 . ? 1_555 ? 34 AC4 16 ILE A 297 ? ILE A 297 . ? 1_555 ? 35 AC4 16 HOH F . ? HOH A 343 . ? 1_555 ? 36 AC4 16 HOH F . ? HOH A 357 . ? 1_555 ? # _database_PDB_matrix.entry_id 2WED _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 2WED _atom_sites.fract_transf_matrix[1][1] 0.010217 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005014 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.021441 _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] 0.016728 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O P 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 . ALA A 1 1 ? 37.515 31.893 0.811 1.00 29.53 ? 1 ALA A N 1 ATOM 2 C CA . ALA A 1 1 ? 36.802 31.287 1.961 1.00 29.69 ? 1 ALA A CA 1 ATOM 3 C C . ALA A 1 1 ? 36.205 29.899 1.636 1.00 28.21 ? 1 ALA A C 1 ATOM 4 O O . ALA A 1 1 ? 35.898 29.586 0.486 1.00 30.22 ? 1 ALA A O 1 ATOM 5 C CB . ALA A 1 1 ? 35.728 32.250 2.514 1.00 30.13 ? 1 ALA A CB 1 ATOM 6 N N . ALA A 1 2 ? 36.160 29.015 2.615 1.00 24.09 ? 2 ALA A N 1 ATOM 7 C CA . ALA A 1 2 ? 35.653 27.698 2.324 1.00 19.72 ? 2 ALA A CA 1 ATOM 8 C C . ALA A 1 2 ? 34.151 27.552 2.649 1.00 16.59 ? 2 ALA A C 1 ATOM 9 O O . ALA A 1 2 ? 33.557 28.309 3.435 1.00 15.80 ? 2 ALA A O 1 ATOM 10 C CB . ALA A 1 2 ? 36.503 26.604 3.039 1.00 19.09 ? 2 ALA A CB 1 ATOM 11 N N . SER A 1 3 ? 33.555 26.562 2.011 1.00 14.32 ? 3 SER A N 1 ATOM 12 C CA . SER A 1 3 ? 32.168 26.233 2.273 1.00 13.78 ? 3 SER A CA 1 ATOM 13 C C . SER A 1 3 ? 32.016 24.892 1.585 1.00 12.33 ? 3 SER A C 1 ATOM 14 O O . SER A 1 3 ? 32.844 24.493 0.768 1.00 12.50 ? 3 SER A O 1 ATOM 15 C CB . SER A 1 3 ? 31.224 27.252 1.649 1.00 14.94 ? 3 SER A CB 1 ATOM 16 O OG . SER A 1 3 ? 31.182 27.038 0.258 1.00 16.57 ? 3 SER A OG 1 ATOM 17 N N . GLY A 1 4 ? 30.984 24.153 1.944 1.00 11.70 ? 4 GLY A N 1 ATOM 18 C CA . GLY A 1 4 ? 30.799 22.864 1.316 1.00 11.96 ? 4 GLY A CA 1 ATOM 19 C C . GLY A 1 4 ? 29.438 22.321 1.677 1.00 11.77 ? 4 GLY A C 1 ATOM 20 O O . GLY A 1 4 ? 28.812 22.785 2.624 1.00 11.89 ? 4 GLY A O 1 ATOM 21 N N . VAL A 1 5 ? 29.031 21.294 0.962 1.00 11.79 ? 5 VAL A N 1 ATOM 22 C CA . VAL A 1 5 ? 27.761 20.671 1.198 1.00 12.71 ? 5 VAL A CA 1 ATOM 23 C C . VAL A 1 5 ? 28.015 19.196 1.264 1.00 13.44 ? 5 VAL A C 1 ATOM 24 O O . VAL A 1 5 ? 28.589 18.632 0.335 1.00 14.46 ? 5 VAL A O 1 ATOM 25 C CB . VAL A 1 5 ? 26.833 20.911 -0.018 1.00 14.27 ? 5 VAL A CB 1 ATOM 26 C CG1 . VAL A 1 5 ? 25.510 20.126 0.136 1.00 14.89 ? 5 VAL A CG1 1 ATOM 27 C CG2 . VAL A 1 5 ? 26.563 22.400 -0.179 1.00 14.47 ? 5 VAL A CG2 1 ATOM 28 N N . ALA A 1 6 ? 27.645 18.580 2.393 1.00 12.67 ? 6 ALA A N 1 ATOM 29 C CA . ALA A 1 6 ? 27.762 17.134 2.583 1.00 12.50 ? 6 ALA A CA 1 ATOM 30 C C . ALA A 1 6 ? 26.338 16.566 2.493 1.00 13.11 ? 6 ALA A C 1 ATOM 31 O O . ALA A 1 6 ? 25.409 17.140 3.059 1.00 13.36 ? 6 ALA A O 1 ATOM 32 C CB . ALA A 1 6 ? 28.367 16.830 3.945 1.00 13.13 ? 6 ALA A CB 1 ATOM 33 N N . THR A 1 7 ? 26.166 15.471 1.773 1.00 13.07 ? 7 THR A N 1 ATOM 34 C CA . THR A 1 7 ? 24.870 14.861 1.631 1.00 15.17 ? 7 THR A CA 1 ATOM 35 C C . THR A 1 7 ? 24.668 13.764 2.667 1.00 15.31 ? 7 THR A C 1 ATOM 36 O O . THR A 1 7 ? 25.530 12.902 2.836 1.00 16.02 ? 7 THR A O 1 ATOM 37 C CB . THR A 1 7 ? 24.702 14.329 0.192 1.00 18.63 ? 7 THR A CB 1 ATOM 38 O OG1 . THR A 1 7 ? 24.584 15.453 -0.685 1.00 23.54 ? 7 THR A OG1 1 ATOM 39 C CG2 . THR A 1 7 ? 23.470 13.445 0.069 1.00 17.91 ? 7 THR A CG2 1 ATOM 40 N N . ASN A 1 8 ? 23.548 13.806 3.386 1.00 13.49 ? 8 ASN A N 1 ATOM 41 C CA . ASN A 1 8 ? 23.248 12.768 4.373 1.00 12.79 ? 8 ASN A CA 1 ATOM 42 C C . ASN A 1 8 ? 22.141 11.869 3.854 1.00 12.65 ? 8 ASN A C 1 ATOM 43 O O . ASN A 1 8 ? 21.314 12.300 3.052 1.00 13.48 ? 8 ASN A O 1 ATOM 44 C CB . ASN A 1 8 ? 22.887 13.405 5.713 1.00 13.55 ? 8 ASN A CB 1 ATOM 45 C CG . ASN A 1 8 ? 21.644 14.297 5.641 1.00 14.39 ? 8 ASN A CG 1 ATOM 46 O OD1 . ASN A 1 8 ? 20.579 13.845 5.247 1.00 15.77 ? 8 ASN A OD1 1 ATOM 47 N ND2 . ASN A 1 8 ? 21.798 15.579 5.982 1.00 13.78 ? 8 ASN A ND2 1 ATOM 48 N N . THR A 1 9 ? 22.082 10.640 4.334 1.00 11.78 ? 9 THR A N 1 ATOM 49 C CA . THR A 1 9 ? 21.033 9.777 3.867 1.00 13.03 ? 9 THR A CA 1 ATOM 50 C C . THR A 1 9 ? 20.529 8.952 5.033 1.00 12.37 ? 9 THR A C 1 ATOM 51 O O . THR A 1 9 ? 21.311 8.410 5.797 1.00 12.20 ? 9 THR A O 1 ATOM 52 C CB . THR A 1 9 ? 21.566 8.844 2.799 1.00 16.10 ? 9 THR A CB 1 ATOM 53 O OG1 A THR A 1 9 ? 22.463 7.908 3.404 0.45 17.86 ? 9 THR A OG1 1 ATOM 54 O OG1 B THR A 1 9 ? 20.549 7.912 2.390 0.55 16.01 ? 9 THR A OG1 1 ATOM 55 C CG2 A THR A 1 9 ? 22.318 9.615 1.749 0.45 15.00 ? 9 THR A CG2 1 ATOM 56 C CG2 B THR A 1 9 ? 22.825 8.144 3.275 0.55 17.35 ? 9 THR A CG2 1 ATOM 57 N N . PRO A 1 10 ? 19.210 8.895 5.202 1.00 12.52 ? 10 PRO A N 1 ATOM 58 C CA . PRO A 1 10 ? 18.650 8.141 6.312 1.00 13.15 ? 10 PRO A CA 1 ATOM 59 C C . PRO A 1 10 ? 18.706 6.651 6.061 1.00 14.22 ? 10 PRO A C 1 ATOM 60 O O . PRO A 1 10 ? 18.614 6.216 4.920 1.00 15.04 ? 10 PRO A O 1 ATOM 61 C CB . PRO A 1 10 ? 17.177 8.595 6.365 1.00 13.93 ? 10 PRO A CB 1 ATOM 62 C CG . PRO A 1 10 ? 16.876 9.144 4.979 1.00 13.64 ? 10 PRO A CG 1 ATOM 63 C CD . PRO A 1 10 ? 18.199 9.626 4.418 1.00 13.15 ? 10 PRO A CD 1 ATOM 64 N N . THR A 1 11 ? 18.883 5.887 7.132 1.00 13.27 ? 11 THR A N 1 ATOM 65 C CA . THR A 1 11 ? 18.815 4.441 7.078 1.00 14.89 ? 11 THR A CA 1 ATOM 66 C C . THR A 1 11 ? 17.327 4.073 7.199 1.00 16.18 ? 11 THR A C 1 ATOM 67 O O . THR A 1 11 ? 16.464 4.944 7.198 1.00 16.13 ? 11 THR A O 1 ATOM 68 C CB . THR A 1 11 ? 19.597 3.797 8.245 1.00 15.76 ? 11 THR A CB 1 ATOM 69 O OG1 . THR A 1 11 ? 19.050 4.264 9.482 1.00 14.66 ? 11 THR A OG1 1 ATOM 70 C CG2 . THR A 1 11 ? 21.108 4.177 8.169 1.00 16.28 ? 11 THR A CG2 1 ATOM 71 N N . ALA A 1 12 ? 17.023 2.789 7.317 1.00 17.84 ? 12 ALA A N 1 ATOM 72 C CA . ALA A 1 12 ? 15.636 2.354 7.420 1.00 19.56 ? 12 ALA A CA 1 ATOM 73 C C . ALA A 1 12 ? 14.887 3.088 8.542 1.00 19.84 ? 12 ALA A C 1 ATOM 74 O O . ALA A 1 12 ? 15.406 3.265 9.641 1.00 19.85 ? 12 ALA A O 1 ATOM 75 C CB . ALA A 1 12 ? 15.584 0.828 7.640 1.00 20.56 ? 12 ALA A CB 1 ATOM 76 N N . ASN A 1 13 ? 13.670 3.529 8.240 1.00 19.82 ? 13 ASN A N 1 ATOM 77 C CA . ASN A 1 13 ? 12.855 4.257 9.190 1.00 20.15 ? 13 ASN A CA 1 ATOM 78 C C . ASN A 1 13 ? 13.480 5.547 9.705 1.00 18.50 ? 13 ASN A C 1 ATOM 79 O O . ASN A 1 13 ? 13.069 6.049 10.757 1.00 18.80 ? 13 ASN A O 1 ATOM 80 C CB . ASN A 1 13 ? 12.469 3.367 10.356 1.00 23.31 ? 13 ASN A CB 1 ATOM 81 C CG . ASN A 1 13 ? 11.586 2.224 9.930 1.00 26.73 ? 13 ASN A CG 1 ATOM 82 O OD1 . ASN A 1 13 ? 11.783 1.084 10.355 1.00 29.33 ? 13 ASN A OD1 1 ATOM 83 N ND2 . ASN A 1 13 ? 10.607 2.516 9.070 1.00 26.76 ? 13 ASN A ND2 1 ATOM 84 N N . ASP A 1 14 ? 14.457 6.092 8.984 1.00 15.03 ? 14 ASP A N 1 ATOM 85 C CA . ASP A 1 14 ? 15.112 7.314 9.435 1.00 12.95 ? 14 ASP A CA 1 ATOM 86 C C . ASP A 1 14 ? 15.711 7.095 10.829 1.00 12.77 ? 14 ASP A C 1 ATOM 87 O O . ASP A 1 14 ? 15.753 8.013 11.639 1.00 12.42 ? 14 ASP A O 1 ATOM 88 C CB . ASP A 1 14 ? 14.155 8.492 9.512 1.00 12.97 ? 14 ASP A CB 1 ATOM 89 C CG . ASP A 1 14 ? 13.484 8.807 8.200 1.00 13.77 ? 14 ASP A CG 1 ATOM 90 O OD1 . ASP A 1 14 ? 13.942 8.358 7.122 1.00 13.94 ? 14 ASP A OD1 1 ATOM 91 O OD2 . ASP A 1 14 ? 12.486 9.564 8.249 1.00 13.75 ? 14 ASP A OD2 1 ATOM 92 N N . GLU A 1 15 ? 16.148 5.884 11.135 1.00 13.31 ? 15 GLU A N 1 ATOM 93 C CA . GLU A 1 15 ? 16.724 5.656 12.443 1.00 15.64 ? 15 GLU A CA 1 ATOM 94 C C . GLU A 1 15 ? 17.994 6.467 12.677 1.00 15.03 ? 15 GLU A C 1 ATOM 95 O O . GLU A 1 15 ? 18.282 6.914 13.801 1.00 15.02 ? 15 GLU A O 1 ATOM 96 C CB . GLU A 1 15 ? 17.009 4.187 12.627 1.00 21.15 ? 15 GLU A CB 1 ATOM 97 C CG . GLU A 1 15 ? 17.409 3.907 14.040 1.00 28.37 ? 15 GLU A CG 1 ATOM 98 C CD . GLU A 1 15 ? 17.441 2.434 14.325 1.00 34.92 ? 15 GLU A CD 1 ATOM 99 O OE1 . GLU A 1 15 ? 17.065 1.652 13.411 1.00 36.84 ? 15 GLU A OE1 1 ATOM 100 O OE2 . GLU A 1 15 ? 17.863 2.063 15.452 1.00 37.78 ? 15 GLU A OE2 1 ATOM 101 N N . GLU A 1 16 ? 18.779 6.650 11.625 1.00 14.49 ? 16 GLU A N 1 ATOM 102 C CA . GLU A 1 16 ? 19.987 7.468 11.735 1.00 14.63 ? 16 GLU A CA 1 ATOM 103 C C . GLU A 1 16 ? 20.345 7.965 10.352 1.00 12.92 ? 16 GLU A C 1 ATOM 104 O O . GLU A 1 16 ? 19.830 7.452 9.367 1.00 12.23 ? 16 GLU A O 1 ATOM 105 C CB . GLU A 1 16 ? 21.146 6.682 12.320 1.00 17.22 ? 16 GLU A CB 1 ATOM 106 C CG . GLU A 1 16 ? 21.591 5.523 11.481 1.00 20.18 ? 16 GLU A CG 1 ATOM 107 C CD . GLU A 1 16 ? 22.718 4.735 12.163 1.00 24.11 ? 16 GLU A CD 1 ATOM 108 O OE1 . GLU A 1 16 ? 23.765 5.344 12.478 1.00 25.81 ? 16 GLU A OE1 1 ATOM 109 O OE2 . GLU A 1 16 ? 22.561 3.511 12.366 1.00 25.42 ? 16 GLU A OE2 1 ATOM 110 N N . TYR A 1 17 ? 21.110 9.050 10.303 1.00 11.70 ? 17 TYR A N 1 ATOM 111 C CA . TYR A 1 17 ? 21.505 9.666 9.047 1.00 10.94 ? 17 TYR A CA 1 ATOM 112 C C . TYR A 1 17 ? 23.025 9.550 8.875 1.00 13.26 ? 17 TYR A C 1 ATOM 113 O O . TYR A 1 17 ? 23.775 9.930 9.785 1.00 14.52 ? 17 TYR A O 1 ATOM 114 C CB . TYR A 1 17 ? 21.089 11.118 9.065 1.00 10.09 ? 17 TYR A CB 1 ATOM 115 C CG . TYR A 1 17 ? 19.580 11.290 9.010 1.00 10.48 ? 17 TYR A CG 1 ATOM 116 C CD1 . TYR A 1 17 ? 18.787 11.049 10.137 1.00 10.27 ? 17 TYR A CD1 1 ATOM 117 C CD2 . TYR A 1 17 ? 18.938 11.637 7.802 1.00 10.30 ? 17 TYR A CD2 1 ATOM 118 C CE1 . TYR A 1 17 ? 17.416 11.153 10.069 1.00 11.11 ? 17 TYR A CE1 1 ATOM 119 C CE2 . TYR A 1 17 ? 17.537 11.747 7.734 1.00 10.22 ? 17 TYR A CE2 1 ATOM 120 C CZ . TYR A 1 17 ? 16.803 11.545 8.867 1.00 11.38 ? 17 TYR A CZ 1 ATOM 121 O OH . TYR A 1 17 ? 15.442 11.638 8.780 1.00 12.85 ? 17 TYR A OH 1 ATOM 122 N N . ILE A 1 18 ? 23.466 8.966 7.766 1.00 12.67 ? 18 ILE A N 1 ATOM 123 C CA . ILE A 1 18 ? 24.890 8.833 7.512 1.00 13.19 ? 18 ILE A CA 1 ATOM 124 C C . ILE A 1 18 ? 25.390 9.814 6.437 1.00 12.25 ? 18 ILE A C 1 ATOM 125 O O . ILE A 1 18 ? 24.668 10.157 5.480 1.00 12.08 ? 18 ILE A O 1 ATOM 126 C CB . ILE A 1 18 ? 25.272 7.397 7.233 1.00 16.48 ? 18 ILE A CB 1 ATOM 127 C CG1 . ILE A 1 18 ? 24.678 6.924 5.922 1.00 18.66 ? 18 ILE A CG1 1 ATOM 128 C CG2 . ILE A 1 18 ? 24.710 6.494 8.340 1.00 17.32 ? 18 ILE A CG2 1 ATOM 129 C CD1 . ILE A 1 18 ? 25.197 5.555 5.516 1.00 20.81 ? 18 ILE A CD1 1 ATOM 130 N N . THR A 1 19 ? 26.672 10.150 6.537 1.00 10.74 ? 19 THR A N 1 ATOM 131 C CA . THR A 1 19 ? 27.320 11.089 5.638 1.00 10.43 ? 19 THR A CA 1 ATOM 132 C C . THR A 1 19 ? 28.778 10.613 5.466 1.00 11.33 ? 19 THR A C 1 ATOM 133 O O . THR A 1 19 ? 29.433 10.250 6.424 1.00 12.10 ? 19 THR A O 1 ATOM 134 C CB . THR A 1 19 ? 27.338 12.473 6.305 1.00 11.74 ? 19 THR A CB 1 ATOM 135 O OG1 . THR A 1 19 ? 25.985 12.888 6.553 1.00 12.75 ? 19 THR A OG1 1 ATOM 136 C CG2 . THR A 1 19 ? 28.060 13.506 5.460 1.00 11.23 ? 19 THR A CG2 1 ATOM 137 N N . PRO A 1 20 ? 29.268 10.569 4.230 1.00 11.79 ? 20 PRO A N 1 ATOM 138 C CA . PRO A 1 20 ? 30.637 10.111 3.985 1.00 11.90 ? 20 PRO A CA 1 ATOM 139 C C . PRO A 1 20 ? 31.663 11.151 4.452 1.00 11.93 ? 20 PRO A C 1 ATOM 140 O O . PRO A 1 20 ? 31.481 12.358 4.249 1.00 13.43 ? 20 PRO A O 1 ATOM 141 C CB . PRO A 1 20 ? 30.676 9.944 2.469 1.00 13.08 ? 20 PRO A CB 1 ATOM 142 C CG . PRO A 1 20 ? 29.627 10.875 1.951 1.00 12.97 ? 20 PRO A CG 1 ATOM 143 C CD . PRO A 1 20 ? 28.537 10.867 2.981 1.00 11.61 ? 20 PRO A CD 1 ATOM 144 N N . VAL A 1 21 ? 32.761 10.675 5.028 1.00 10.58 ? 21 VAL A N 1 ATOM 145 C CA . VAL A 1 21 ? 33.809 11.551 5.525 1.00 10.10 ? 21 VAL A CA 1 ATOM 146 C C . VAL A 1 21 ? 35.124 10.847 5.162 1.00 10.11 ? 21 VAL A C 1 ATOM 147 O O . VAL A 1 21 ? 35.260 9.644 5.342 1.00 10.34 ? 21 VAL A O 1 ATOM 148 C CB . VAL A 1 21 ? 33.755 11.625 7.064 1.00 12.58 ? 21 VAL A CB 1 ATOM 149 C CG1 . VAL A 1 21 ? 34.905 12.501 7.593 1.00 12.49 ? 21 VAL A CG1 1 ATOM 150 C CG2 . VAL A 1 21 ? 32.391 12.192 7.511 1.00 13.25 ? 21 VAL A CG2 1 ATOM 151 N N . THR A 1 22 ? 36.047 11.572 4.545 1.00 10.60 ? 22 THR A N 1 ATOM 152 C CA . THR A 1 22 ? 37.310 10.948 4.154 1.00 10.17 ? 22 THR A CA 1 ATOM 153 C C . THR A 1 22 ? 38.374 11.297 5.147 1.00 9.21 ? 22 THR A C 1 ATOM 154 O O . THR A 1 22 ? 38.648 12.477 5.388 1.00 10.20 ? 22 THR A O 1 ATOM 155 C CB . THR A 1 22 ? 37.693 11.361 2.762 1.00 12.32 ? 22 THR A CB 1 ATOM 156 O OG1 . THR A 1 22 ? 36.613 10.976 1.901 1.00 13.75 ? 22 THR A OG1 1 ATOM 157 C CG2 . THR A 1 22 ? 38.974 10.602 2.317 1.00 11.89 ? 22 THR A CG2 1 ATOM 158 N N . ILE A 1 23 ? 39.022 10.265 5.656 1.00 10.39 ? 23 ILE A N 1 ATOM 159 C CA . ILE A 1 23 ? 40.050 10.456 6.666 1.00 12.63 ? 23 ILE A CA 1 ATOM 160 C C . ILE A 1 23 ? 41.313 9.758 6.212 1.00 13.95 ? 23 ILE A C 1 ATOM 161 O O . ILE A 1 23 ? 41.307 8.552 5.951 1.00 13.51 ? 23 ILE A O 1 ATOM 162 C CB . ILE A 1 23 ? 39.593 9.837 7.969 1.00 14.30 ? 23 ILE A CB 1 ATOM 163 C CG1 . ILE A 1 23 ? 38.320 10.560 8.425 1.00 15.53 ? 23 ILE A CG1 1 ATOM 164 C CG2 . ILE A 1 23 ? 40.697 9.909 9.013 1.00 14.81 ? 23 ILE A CG2 1 ATOM 165 C CD1 . ILE A 1 23 ? 37.694 9.929 9.652 1.00 17.25 ? 23 ILE A CD1 1 ATOM 166 N N . GLY A 1 24 ? 42.354 10.550 5.992 1.00 15.48 ? 24 GLY A N 1 ATOM 167 C CA . GLY A 1 24 ? 43.602 9.974 5.490 1.00 18.34 ? 24 GLY A CA 1 ATOM 168 C C . GLY A 1 24 ? 43.371 9.196 4.178 1.00 20.42 ? 24 GLY A C 1 ATOM 169 O O . GLY A 1 24 ? 43.918 8.094 4.007 1.00 22.95 ? 24 GLY A O 1 ATOM 170 N N . GLY A 1 25 ? 42.510 9.720 3.301 1.00 18.98 ? 25 GLY A N 1 ATOM 171 C CA . GLY A 1 25 ? 42.211 9.073 2.009 1.00 18.39 ? 25 GLY A CA 1 ATOM 172 C C . GLY A 1 25 ? 41.202 7.902 2.020 1.00 18.40 ? 25 GLY A C 1 ATOM 173 O O . GLY A 1 25 ? 40.864 7.376 0.945 1.00 19.42 ? 25 GLY A O 1 ATOM 174 N N . THR A 1 26 ? 40.783 7.445 3.200 1.00 15.04 ? 26 THR A N 1 ATOM 175 C CA . THR A 1 26 ? 39.777 6.378 3.294 1.00 14.68 ? 26 THR A CA 1 ATOM 176 C C . THR A 1 26 ? 38.418 7.020 3.617 1.00 13.26 ? 26 THR A C 1 ATOM 177 O O . THR A 1 26 ? 38.324 7.825 4.549 1.00 12.76 ? 26 THR A O 1 ATOM 178 C CB . THR A 1 26 ? 40.097 5.421 4.440 1.00 16.64 ? 26 THR A CB 1 ATOM 179 O OG1 . THR A 1 26 ? 41.383 4.838 4.200 1.00 18.54 ? 26 THR A OG1 1 ATOM 180 C CG2 . THR A 1 26 ? 39.060 4.311 4.547 1.00 17.12 ? 26 THR A CG2 1 ATOM 181 N N . THR A 1 27 ? 37.376 6.650 2.872 1.00 11.51 ? 27 THR A N 1 ATOM 182 C CA . THR A 1 27 ? 36.036 7.198 3.116 1.00 10.26 ? 27 THR A CA 1 ATOM 183 C C . THR A 1 27 ? 35.239 6.281 4.056 1.00 10.49 ? 27 THR A C 1 ATOM 184 O O . THR A 1 27 ? 35.086 5.082 3.794 1.00 9.94 ? 27 THR A O 1 ATOM 185 C CB . THR A 1 27 ? 35.256 7.405 1.772 1.00 10.95 ? 27 THR A CB 1 ATOM 186 O OG1 . THR A 1 27 ? 35.976 8.327 0.952 1.00 12.30 ? 27 THR A OG1 1 ATOM 187 C CG2 . THR A 1 27 ? 33.913 8.037 2.011 1.00 10.99 ? 27 THR A CG2 1 ATOM 188 N N . LEU A 1 28 ? 34.640 6.877 5.085 1.00 10.48 ? 28 LEU A N 1 ATOM 189 C CA . LEU A 1 28 ? 33.842 6.129 6.051 1.00 11.67 ? 28 LEU A CA 1 ATOM 190 C C . LEU A 1 28 ? 32.482 6.815 6.159 1.00 10.25 ? 28 LEU A C 1 ATOM 191 O O . LEU A 1 28 ? 32.373 8.018 5.933 1.00 10.16 ? 28 LEU A O 1 ATOM 192 C CB . LEU A 1 28 ? 34.497 6.165 7.448 1.00 14.18 ? 28 LEU A CB 1 ATOM 193 C CG . LEU A 1 28 ? 35.771 5.364 7.733 1.00 17.79 ? 28 LEU A CG 1 ATOM 194 C CD1 . LEU A 1 28 ? 36.903 6.064 7.095 1.00 19.54 ? 28 LEU A CD1 1 ATOM 195 C CD2 . LEU A 1 28 ? 36.005 5.259 9.214 1.00 18.82 ? 28 LEU A CD2 1 ATOM 196 N N . ASN A 1 29 ? 31.453 6.031 6.462 1.00 9.68 ? 29 ASN A N 1 ATOM 197 C CA . ASN A 1 29 ? 30.125 6.571 6.612 1.00 10.05 ? 29 ASN A CA 1 ATOM 198 C C . ASN A 1 29 ? 29.885 6.853 8.101 1.00 9.89 ? 29 ASN A C 1 ATOM 199 O O . ASN A 1 29 ? 29.805 5.937 8.897 1.00 11.45 ? 29 ASN A O 1 ATOM 200 C CB . ASN A 1 29 ? 29.120 5.569 6.060 1.00 11.67 ? 29 ASN A CB 1 ATOM 201 C CG . ASN A 1 29 ? 29.136 5.522 4.542 1.00 13.46 ? 29 ASN A CG 1 ATOM 202 O OD1 . ASN A 1 29 ? 29.465 6.511 3.891 1.00 15.81 ? 29 ASN A OD1 1 ATOM 203 N ND2 . ASN A 1 29 ? 28.788 4.390 3.982 1.00 13.62 ? 29 ASN A ND2 1 ATOM 204 N N . LEU A 1 30 ? 29.823 8.126 8.464 1.00 9.40 ? 30 LEU A N 1 ATOM 205 C CA . LEU A 1 30 ? 29.647 8.513 9.854 1.00 9.14 ? 30 LEU A CA 1 ATOM 206 C C . LEU A 1 30 ? 28.278 9.105 10.162 1.00 9.54 ? 30 LEU A C 1 ATOM 207 O O . LEU A 1 30 ? 27.629 9.662 9.294 1.00 10.18 ? 30 LEU A O 1 ATOM 208 C CB . LEU A 1 30 ? 30.733 9.492 10.274 1.00 9.52 ? 30 LEU A CB 1 ATOM 209 C CG . LEU A 1 30 ? 32.186 9.000 10.088 1.00 10.64 ? 30 LEU A CG 1 ATOM 210 C CD1 . LEU A 1 30 ? 33.160 10.009 10.682 1.00 11.11 ? 30 LEU A CD1 1 ATOM 211 C CD2 . LEU A 1 30 ? 32.394 7.641 10.703 1.00 10.14 ? 30 LEU A CD2 1 ATOM 212 N N . ASN A 1 31 ? 27.880 9.018 11.421 1.00 8.46 ? 31 ASN A N 1 ATOM 213 C CA . ASN A 1 31 ? 26.629 9.602 11.910 1.00 9.84 ? 31 ASN A CA 1 ATOM 214 C C . ASN A 1 31 ? 27.007 10.960 12.495 1.00 8.76 ? 31 ASN A C 1 ATOM 215 O O . ASN A 1 31 ? 27.766 11.014 13.453 1.00 9.44 ? 31 ASN A O 1 ATOM 216 C CB . ASN A 1 31 ? 26.131 8.650 13.011 1.00 12.44 ? 31 ASN A CB 1 ATOM 217 C CG . ASN A 1 31 ? 24.811 9.066 13.629 1.00 15.71 ? 31 ASN A CG 1 ATOM 218 O OD1 . ASN A 1 31 ? 24.294 10.147 13.377 1.00 16.13 ? 31 ASN A OD1 1 ATOM 219 N ND2 . ASN A 1 31 ? 24.278 8.194 14.479 1.00 16.43 ? 31 ASN A ND2 1 ATOM 220 N N . PHE A 1 32 ? 26.556 12.048 11.892 1.00 7.71 ? 32 PHE A N 1 ATOM 221 C CA . PHE A 1 32 ? 26.870 13.383 12.395 1.00 8.36 ? 32 PHE A CA 1 ATOM 222 C C . PHE A 1 32 ? 25.982 13.656 13.596 1.00 9.54 ? 32 PHE A C 1 ATOM 223 O O . PHE A 1 32 ? 24.750 13.599 13.471 1.00 10.07 ? 32 PHE A O 1 ATOM 224 C CB . PHE A 1 32 ? 26.630 14.434 11.303 1.00 9.15 ? 32 PHE A CB 1 ATOM 225 C CG . PHE A 1 32 ? 27.755 14.544 10.306 1.00 8.95 ? 32 PHE A CG 1 ATOM 226 C CD1 . PHE A 1 32 ? 28.517 13.435 9.980 1.00 9.30 ? 32 PHE A CD1 1 ATOM 227 C CD2 . PHE A 1 32 ? 27.957 15.736 9.591 1.00 10.71 ? 32 PHE A CD2 1 ATOM 228 C CE1 . PHE A 1 32 ? 29.567 13.528 9.033 1.00 9.62 ? 32 PHE A CE1 1 ATOM 229 C CE2 . PHE A 1 32 ? 28.964 15.817 8.618 1.00 10.86 ? 32 PHE A CE2 1 ATOM 230 C CZ . PHE A 1 32 ? 29.757 14.705 8.345 1.00 10.50 ? 32 PHE A CZ 1 ATOM 231 N N . ASP A 1 33 ? 26.568 14.100 14.709 1.00 8.02 ? 33 ASP A N 1 ATOM 232 C CA . ASP A 1 33 ? 25.786 14.234 15.933 1.00 7.46 ? 33 ASP A CA 1 ATOM 233 C C . ASP A 1 33 ? 26.005 15.549 16.647 1.00 7.85 ? 33 ASP A C 1 ATOM 234 O O . ASP A 1 33 ? 27.050 15.749 17.256 1.00 8.00 ? 33 ASP A O 1 ATOM 235 C CB . ASP A 1 33 ? 26.278 13.096 16.840 1.00 7.76 ? 33 ASP A CB 1 ATOM 236 C CG . ASP A 1 33 ? 25.643 13.109 18.215 1.00 8.96 ? 33 ASP A CG 1 ATOM 237 O OD1 . ASP A 1 33 ? 24.618 13.791 18.396 1.00 8.28 ? 33 ASP A OD1 1 ATOM 238 O OD2 . ASP A 1 33 ? 26.121 12.323 19.080 1.00 9.52 ? 33 ASP A OD2 1 ATOM 239 N N . THR A 1 34 ? 25.020 16.443 16.593 1.00 6.41 ? 34 THR A N 1 ATOM 240 C CA . THR A 1 34 ? 25.148 17.719 17.262 1.00 6.93 ? 34 THR A CA 1 ATOM 241 C C . THR A 1 34 ? 25.065 17.622 18.808 1.00 8.01 ? 34 THR A C 1 ATOM 242 O O . THR A 1 34 ? 25.183 18.629 19.496 1.00 9.46 ? 34 THR A O 1 ATOM 243 C CB . THR A 1 34 ? 24.137 18.774 16.742 1.00 7.61 ? 34 THR A CB 1 ATOM 244 O OG1 . THR A 1 34 ? 22.793 18.275 16.884 1.00 7.32 ? 34 THR A OG1 1 ATOM 245 C CG2 . THR A 1 34 ? 24.434 19.135 15.290 1.00 7.48 ? 34 THR A CG2 1 ATOM 246 N N . GLY A 1 35 ? 24.804 16.422 19.310 1.00 8.38 ? 35 GLY A N 1 ATOM 247 C CA . GLY A 1 35 ? 24.709 16.155 20.751 1.00 9.55 ? 35 GLY A CA 1 ATOM 248 C C . GLY A 1 35 ? 26.003 15.675 21.451 1.00 10.02 ? 35 GLY A C 1 ATOM 249 O O . GLY A 1 35 ? 26.004 15.446 22.667 1.00 10.29 ? 35 GLY A O 1 ATOM 250 N N . SER A 1 36 ? 27.094 15.517 20.702 1.00 8.85 ? 36 SER A N 1 ATOM 251 C CA . SER A 1 36 ? 28.368 15.115 21.323 1.00 9.18 ? 36 SER A CA 1 ATOM 252 C C . SER A 1 36 ? 29.501 15.764 20.533 1.00 9.47 ? 36 SER A C 1 ATOM 253 O O . SER A 1 36 ? 29.267 16.371 19.467 1.00 9.12 ? 36 SER A O 1 ATOM 254 C CB . SER A 1 36 ? 28.538 13.593 21.406 1.00 10.73 ? 36 SER A CB 1 ATOM 255 O OG . SER A 1 36 ? 28.670 13.043 20.110 1.00 12.39 ? 36 SER A OG 1 ATOM 256 N N . ALA A 1 37 ? 30.691 15.773 21.142 1.00 8.80 ? 37 ALA A N 1 ATOM 257 C CA . ALA A 1 37 ? 31.845 16.442 20.585 1.00 7.56 ? 37 ALA A CA 1 ATOM 258 C C . ALA A 1 37 ? 33.034 15.590 20.186 1.00 8.45 ? 37 ALA A C 1 ATOM 259 O O . ALA A 1 37 ? 34.155 16.108 20.049 1.00 9.53 ? 37 ALA A O 1 ATOM 260 C CB . ALA A 1 37 ? 32.285 17.590 21.480 1.00 8.46 ? 37 ALA A CB 1 ATOM 261 N N . ASP A 1 38 ? 32.830 14.289 20.047 1.00 8.40 ? 38 ASP A N 1 ATOM 262 C CA . ASP A 1 38 ? 33.929 13.417 19.647 1.00 9.00 ? 38 ASP A CA 1 ATOM 263 C C . ASP A 1 38 ? 33.809 12.910 18.215 1.00 10.66 ? 38 ASP A C 1 ATOM 264 O O . ASP A 1 38 ? 32.711 12.545 17.764 1.00 10.95 ? 38 ASP A O 1 ATOM 265 C CB . ASP A 1 38 ? 34.030 12.202 20.565 1.00 9.73 ? 38 ASP A CB 1 ATOM 266 C CG . ASP A 1 38 ? 34.513 12.564 21.970 1.00 11.18 ? 38 ASP A CG 1 ATOM 267 O OD1 . ASP A 1 38 ? 34.045 13.574 22.550 1.00 10.35 ? 38 ASP A OD1 1 ATOM 268 O OD2 . ASP A 1 38 ? 35.431 11.870 22.446 1.00 12.53 ? 38 ASP A OD2 1 ATOM 269 N N . LEU A 1 39 ? 34.939 12.844 17.507 1.00 10.26 ? 39 LEU A N 1 ATOM 270 C CA . LEU A 1 39 ? 34.921 12.266 16.164 1.00 10.56 ? 39 LEU A CA 1 ATOM 271 C C . LEU A 1 39 ? 35.624 10.944 16.368 1.00 9.45 ? 39 LEU A C 1 ATOM 272 O O . LEU A 1 39 ? 36.847 10.932 16.603 1.00 9.36 ? 39 LEU A O 1 ATOM 273 C CB . LEU A 1 39 ? 35.731 13.170 15.215 1.00 12.60 ? 39 LEU A CB 1 ATOM 274 C CG . LEU A 1 39 ? 35.624 12.889 13.700 1.00 14.03 ? 39 LEU A CG 1 ATOM 275 C CD1 . LEU A 1 39 ? 36.512 13.813 12.881 1.00 13.11 ? 39 LEU A CD1 1 ATOM 276 C CD2 . LEU A 1 39 ? 35.784 11.445 13.284 1.00 14.60 ? 39 LEU A CD2 1 ATOM 277 N N . TRP A 1 40 ? 34.902 9.831 16.327 1.00 7.75 ? 40 TRP A N 1 ATOM 278 C CA . TRP A 1 40 ? 35.593 8.560 16.535 1.00 7.88 ? 40 TRP A CA 1 ATOM 279 C C . TRP A 1 40 ? 35.196 7.605 15.436 1.00 8.43 ? 40 TRP A C 1 ATOM 280 O O . TRP A 1 40 ? 34.091 7.689 14.899 1.00 8.03 ? 40 TRP A O 1 ATOM 281 C CB . TRP A 1 40 ? 35.314 7.975 17.912 1.00 8.84 ? 40 TRP A CB 1 ATOM 282 C CG . TRP A 1 40 ? 33.910 7.420 18.140 1.00 9.52 ? 40 TRP A CG 1 ATOM 283 C CD1 . TRP A 1 40 ? 32.851 8.076 18.697 1.00 10.98 ? 40 TRP A CD1 1 ATOM 284 C CD2 . TRP A 1 40 ? 33.461 6.074 17.880 1.00 9.89 ? 40 TRP A CD2 1 ATOM 285 N NE1 . TRP A 1 40 ? 31.753 7.234 18.762 1.00 11.49 ? 40 TRP A NE1 1 ATOM 286 C CE2 . TRP A 1 40 ? 32.089 6.013 18.239 1.00 10.62 ? 40 TRP A CE2 1 ATOM 287 C CE3 . TRP A 1 40 ? 34.038 4.971 17.239 1.00 10.39 ? 40 TRP A CE3 1 ATOM 288 C CZ2 . TRP A 1 40 ? 31.325 4.855 18.106 1.00 11.24 ? 40 TRP A CZ2 1 ATOM 289 C CZ3 . TRP A 1 40 ? 33.272 3.808 17.082 1.00 11.24 ? 40 TRP A CZ3 1 ATOM 290 C CH2 . TRP A 1 40 ? 31.939 3.746 17.564 1.00 11.47 ? 40 TRP A CH2 1 ATOM 291 N N . VAL A 1 41 ? 36.092 6.675 15.110 1.00 8.75 ? 41 VAL A N 1 ATOM 292 C CA . VAL A 1 41 ? 35.821 5.777 13.999 1.00 8.61 ? 41 VAL A CA 1 ATOM 293 C C . VAL A 1 41 ? 36.270 4.370 14.263 1.00 9.88 ? 41 VAL A C 1 ATOM 294 O O . VAL A 1 41 ? 37.144 4.125 15.103 1.00 10.42 ? 41 VAL A O 1 ATOM 295 C CB . VAL A 1 41 ? 36.617 6.235 12.761 1.00 10.16 ? 41 VAL A CB 1 ATOM 296 C CG1 . VAL A 1 41 ? 36.172 7.625 12.329 1.00 10.51 ? 41 VAL A CG1 1 ATOM 297 C CG2 . VAL A 1 41 ? 38.122 6.282 13.106 1.00 10.36 ? 41 VAL A CG2 1 ATOM 298 N N . PHE A 1 42 ? 35.626 3.418 13.596 1.00 9.26 ? 42 PHE A N 1 ATOM 299 C CA . PHE A 1 42 ? 36.071 2.024 13.707 1.00 9.55 ? 42 PHE A CA 1 ATOM 300 C C . PHE A 1 42 ? 37.500 2.029 13.156 1.00 10.59 ? 42 PHE A C 1 ATOM 301 O O . PHE A 1 42 ? 37.779 2.748 12.197 1.00 11.24 ? 42 PHE A O 1 ATOM 302 C CB . PHE A 1 42 ? 35.192 1.147 12.823 1.00 10.63 ? 42 PHE A CB 1 ATOM 303 C CG . PHE A 1 42 ? 33.915 0.702 13.499 1.00 11.73 ? 42 PHE A CG 1 ATOM 304 C CD1 . PHE A 1 42 ? 32.987 1.627 13.957 1.00 12.22 ? 42 PHE A CD1 1 ATOM 305 C CD2 . PHE A 1 42 ? 33.625 -0.647 13.625 1.00 12.78 ? 42 PHE A CD2 1 ATOM 306 C CE1 . PHE A 1 42 ? 31.818 1.210 14.585 1.00 11.70 ? 42 PHE A CE1 1 ATOM 307 C CE2 . PHE A 1 42 ? 32.487 -1.075 14.270 1.00 13.19 ? 42 PHE A CE2 1 ATOM 308 C CZ . PHE A 1 42 ? 31.572 -0.148 14.730 1.00 12.71 ? 42 PHE A CZ 1 ATOM 309 N N . SER A 1 43 ? 38.397 1.203 13.691 1.00 11.25 ? 43 SER A N 1 ATOM 310 C CA . SER A 1 43 ? 39.800 1.240 13.225 1.00 10.75 ? 43 SER A CA 1 ATOM 311 C C . SER A 1 43 ? 40.406 -0.145 13.216 1.00 11.74 ? 43 SER A C 1 ATOM 312 O O . SER A 1 43 ? 39.804 -1.107 13.674 1.00 11.99 ? 43 SER A O 1 ATOM 313 C CB . SER A 1 43 ? 40.673 2.050 14.204 1.00 10.84 ? 43 SER A CB 1 ATOM 314 O OG . SER A 1 43 ? 40.942 1.279 15.361 1.00 11.23 ? 43 SER A OG 1 ATOM 315 N N . THR A 1 44 ? 41.630 -0.237 12.707 1.00 13.09 ? 44 THR A N 1 ATOM 316 C CA . THR A 1 44 ? 42.311 -1.522 12.657 1.00 13.51 ? 44 THR A CA 1 ATOM 317 C C . THR A 1 44 ? 42.736 -2.009 14.021 1.00 13.68 ? 44 THR A C 1 ATOM 318 O O . THR A 1 44 ? 43.294 -3.108 14.137 1.00 14.45 ? 44 THR A O 1 ATOM 319 C CB . THR A 1 44 ? 43.539 -1.459 11.735 1.00 14.92 ? 44 THR A CB 1 ATOM 320 O OG1 . THR A 1 44 ? 44.363 -0.351 12.124 1.00 15.86 ? 44 THR A OG1 1 ATOM 321 C CG2 . THR A 1 44 ? 43.081 -1.282 10.292 1.00 15.45 ? 44 THR A CG2 1 ATOM 322 N N . GLU A 1 45 ? 42.574 -1.155 15.034 1.00 12.18 ? 45 GLU A N 1 ATOM 323 C CA . GLU A 1 45 ? 42.932 -1.534 16.403 1.00 11.79 ? 45 GLU A CA 1 ATOM 324 C C . GLU A 1 45 ? 41.891 -2.426 17.053 1.00 12.96 ? 45 GLU A C 1 ATOM 325 O O . GLU A 1 45 ? 42.139 -2.958 18.129 1.00 14.80 ? 45 GLU A O 1 ATOM 326 C CB . GLU A 1 45 ? 43.243 -0.325 17.263 1.00 11.79 ? 45 GLU A CB 1 ATOM 327 C CG . GLU A 1 45 ? 44.318 0.530 16.659 1.00 13.13 ? 45 GLU A CG 1 ATOM 328 C CD . GLU A 1 45 ? 44.595 1.799 17.448 1.00 14.93 ? 45 GLU A CD 1 ATOM 329 O OE1 . GLU A 1 45 ? 43.658 2.526 17.829 1.00 14.22 ? 45 GLU A OE1 1 ATOM 330 O OE2 . GLU A 1 45 ? 45.789 2.078 17.672 1.00 16.58 ? 45 GLU A OE2 1 ATOM 331 N N . LEU A 1 46 ? 40.702 -2.522 16.452 1.00 13.62 ? 46 LEU A N 1 ATOM 332 C CA . LEU A 1 46 ? 39.632 -3.410 16.946 1.00 13.63 ? 46 LEU A CA 1 ATOM 333 C C . LEU A 1 46 ? 39.982 -4.830 16.560 1.00 14.16 ? 46 LEU A C 1 ATOM 334 O O . LEU A 1 46 ? 40.691 -5.034 15.606 1.00 14.20 ? 46 LEU A O 1 ATOM 335 C CB . LEU A 1 46 ? 38.299 -3.084 16.262 1.00 14.54 ? 46 LEU A CB 1 ATOM 336 C CG . LEU A 1 46 ? 37.726 -1.706 16.624 1.00 14.92 ? 46 LEU A CG 1 ATOM 337 C CD1 . LEU A 1 46 ? 36.525 -1.376 15.707 1.00 15.09 ? 46 LEU A CD1 1 ATOM 338 C CD2 . LEU A 1 46 ? 37.308 -1.710 18.074 1.00 15.60 ? 46 LEU A CD2 1 ATOM 339 N N . PRO A 1 47 ? 39.418 -5.806 17.267 1.00 16.70 ? 47 PRO A N 1 ATOM 340 C CA . PRO A 1 47 ? 39.632 -7.199 16.934 1.00 17.09 ? 47 PRO A CA 1 ATOM 341 C C . PRO A 1 47 ? 39.073 -7.315 15.546 1.00 17.54 ? 47 PRO A C 1 ATOM 342 O O . PRO A 1 47 ? 38.143 -6.589 15.162 1.00 17.83 ? 47 PRO A O 1 ATOM 343 C CB . PRO A 1 47 ? 38.726 -7.933 17.906 1.00 17.83 ? 47 PRO A CB 1 ATOM 344 C CG . PRO A 1 47 ? 38.643 -7.033 19.065 1.00 18.65 ? 47 PRO A CG 1 ATOM 345 C CD . PRO A 1 47 ? 38.589 -5.651 18.470 1.00 17.97 ? 47 PRO A CD 1 ATOM 346 N N . ALA A 1 48 ? 39.657 -8.213 14.776 1.00 17.68 ? 48 ALA A N 1 ATOM 347 C CA . ALA A 1 48 ? 39.261 -8.389 13.397 1.00 19.00 ? 48 ALA A CA 1 ATOM 348 C C . ALA A 1 48 ? 37.767 -8.672 13.223 1.00 18.99 ? 48 ALA A C 1 ATOM 349 O O . ALA A 1 48 ? 37.129 -8.167 12.295 1.00 19.07 ? 48 ALA A O 1 ATOM 350 C CB . ALA A 1 48 ? 40.079 -9.522 12.770 1.00 20.28 ? 48 ALA A CB 1 ATOM 351 N N . SER A 1 49 ? 37.218 -9.499 14.089 1.00 19.68 ? 49 SER A N 1 ATOM 352 C CA . SER A 1 49 ? 35.825 -9.846 13.922 1.00 21.18 ? 49 SER A CA 1 ATOM 353 C C . SER A 1 49 ? 34.906 -8.641 14.071 1.00 21.96 ? 49 SER A C 1 ATOM 354 O O . SER A 1 49 ? 33.813 -8.624 13.513 1.00 23.49 ? 49 SER A O 1 ATOM 355 C CB . SER A 1 49 ? 35.424 -10.974 14.853 1.00 22.55 ? 49 SER A CB 1 ATOM 356 O OG . SER A 1 49 ? 35.525 -10.540 16.187 1.00 24.27 ? 49 SER A OG 1 ATOM 357 N N . GLN A 1 50 ? 35.343 -7.615 14.790 1.00 19.88 ? 50 GLN A N 1 ATOM 358 C CA . GLN A 1 50 ? 34.513 -6.425 14.931 1.00 19.49 ? 50 GLN A CA 1 ATOM 359 C C . GLN A 1 50 ? 34.644 -5.439 13.763 1.00 20.26 ? 50 GLN A C 1 ATOM 360 O O . GLN A 1 50 ? 33.918 -4.440 13.685 1.00 21.12 ? 50 GLN A O 1 ATOM 361 C CB . GLN A 1 50 ? 34.797 -5.752 16.267 1.00 19.75 ? 50 GLN A CB 1 ATOM 362 C CG . GLN A 1 50 ? 34.515 -6.670 17.435 1.00 20.85 ? 50 GLN A CG 1 ATOM 363 C CD . GLN A 1 50 ? 34.751 -6.034 18.789 1.00 22.35 ? 50 GLN A CD 1 ATOM 364 O OE1 . GLN A 1 50 ? 35.097 -4.853 18.911 1.00 21.81 ? 50 GLN A OE1 1 ATOM 365 N NE2 . GLN A 1 50 ? 34.637 -6.847 19.820 1.00 24.09 ? 50 GLN A NE2 1 ATOM 366 N N . GLN A 1 51 ? 35.657 -5.643 12.927 1.00 20.54 ? 51 GLN A N 1 ATOM 367 C CA . GLN A 1 51 ? 35.908 -4.762 11.783 1.00 20.26 ? 51 GLN A CA 1 ATOM 368 C C . GLN A 1 51 ? 35.022 -5.140 10.610 1.00 20.17 ? 51 GLN A C 1 ATOM 369 O O . GLN A 1 51 ? 34.780 -4.327 9.724 1.00 19.93 ? 51 GLN A O 1 ATOM 370 C CB . GLN A 1 51 ? 37.379 -4.860 11.336 1.00 19.93 ? 51 GLN A CB 1 ATOM 371 C CG . GLN A 1 51 ? 38.396 -4.498 12.421 1.00 20.22 ? 51 GLN A CG 1 ATOM 372 C CD . GLN A 1 51 ? 39.818 -4.480 11.883 1.00 19.95 ? 51 GLN A CD 1 ATOM 373 O OE1 . GLN A 1 51 ? 40.022 -4.337 10.679 1.00 20.53 ? 51 GLN A OE1 1 ATOM 374 N NE2 . GLN A 1 51 ? 40.792 -4.730 12.753 1.00 19.35 ? 51 GLN A NE2 1 ATOM 375 N N . SER A 1 52 ? 34.604 -6.402 10.577 1.00 20.95 ? 52 SER A N 1 ATOM 376 C CA . SER A 1 52 ? 33.783 -6.918 9.487 1.00 23.26 ? 52 SER A CA 1 ATOM 377 C C . SER A 1 52 ? 32.559 -6.076 9.218 1.00 22.12 ? 52 SER A C 1 ATOM 378 O O . SER A 1 52 ? 31.813 -5.741 10.142 1.00 21.83 ? 52 SER A O 1 ATOM 379 C CB . SER A 1 52 ? 33.294 -8.325 9.818 1.00 26.13 ? 52 SER A CB 1 ATOM 380 O OG . SER A 1 52 ? 34.406 -9.145 10.102 1.00 29.66 ? 52 SER A OG 1 ATOM 381 N N . GLY A 1 53 ? 32.296 -5.847 7.936 1.00 21.45 ? 53 GLY A N 1 ATOM 382 C CA . GLY A 1 53 ? 31.129 -5.078 7.535 1.00 20.57 ? 53 GLY A CA 1 ATOM 383 C C . GLY A 1 53 ? 31.297 -3.582 7.744 1.00 19.70 ? 53 GLY A C 1 ATOM 384 O O . GLY A 1 53 ? 30.320 -2.838 7.700 1.00 21.43 ? 53 GLY A O 1 ATOM 385 N N . HIS A 1 54 ? 32.525 -3.123 7.924 1.00 16.44 ? 54 HIS A N 1 ATOM 386 C CA . HIS A 1 54 ? 32.726 -1.701 8.125 1.00 15.63 ? 54 HIS A CA 1 ATOM 387 C C . HIS A 1 54 ? 33.890 -1.227 7.311 1.00 15.49 ? 54 HIS A C 1 ATOM 388 O O . HIS A 1 54 ? 34.718 -2.018 6.917 1.00 16.62 ? 54 HIS A O 1 ATOM 389 C CB . HIS A 1 54 ? 33.083 -1.425 9.615 1.00 15.28 ? 54 HIS A CB 1 ATOM 390 C CG . HIS A 1 54 ? 31.900 -1.416 10.534 1.00 15.00 ? 54 HIS A CG 1 ATOM 391 N ND1 . HIS A 1 54 ? 31.514 -2.514 11.284 1.00 16.75 ? 54 HIS A ND1 1 ATOM 392 C CD2 . HIS A 1 54 ? 30.981 -0.454 10.778 1.00 13.22 ? 54 HIS A CD2 1 ATOM 393 C CE1 . HIS A 1 54 ? 30.408 -2.225 11.947 1.00 15.27 ? 54 HIS A CE1 1 ATOM 394 N NE2 . HIS A 1 54 ? 30.075 -0.976 11.671 1.00 15.27 ? 54 HIS A NE2 1 ATOM 395 N N . SER A 1 55 ? 33.914 0.058 6.996 1.00 13.65 ? 55 SER A N 1 ATOM 396 C CA . SER A 1 55 ? 35.084 0.657 6.392 1.00 14.49 ? 55 SER A CA 1 ATOM 397 C C . SER A 1 55 ? 35.813 1.090 7.659 1.00 15.01 ? 55 SER A C 1 ATOM 398 O O . SER A 1 55 ? 35.180 1.629 8.566 1.00 14.55 ? 55 SER A O 1 ATOM 399 C CB . SER A 1 55 ? 34.710 1.864 5.546 1.00 16.46 ? 55 SER A CB 1 ATOM 400 O OG . SER A 1 55 ? 33.942 1.421 4.434 1.00 19.06 ? 55 SER A OG 1 ATOM 401 N N . VAL A 1 56 ? 37.132 0.887 7.721 1.00 15.18 ? 56 VAL A N 1 ATOM 402 C CA . VAL A 1 56 ? 37.872 1.185 8.930 1.00 15.10 ? 56 VAL A CA 1 ATOM 403 C C . VAL A 1 56 ? 39.101 2.030 8.675 1.00 15.02 ? 56 VAL A C 1 ATOM 404 O O . VAL A 1 56 ? 39.710 1.968 7.596 1.00 16.09 ? 56 VAL A O 1 ATOM 405 C CB . VAL A 1 56 ? 38.338 -0.132 9.625 1.00 16.97 ? 56 VAL A CB 1 ATOM 406 C CG1 . VAL A 1 56 ? 37.144 -1.061 9.917 1.00 17.61 ? 56 VAL A CG1 1 ATOM 407 C CG2 . VAL A 1 56 ? 39.359 -0.847 8.797 1.00 17.12 ? 56 VAL A CG2 1 ATOM 408 N N . TYR A 1 57 ? 39.408 2.888 9.647 1.00 13.28 ? 57 TYR A N 1 ATOM 409 C CA . TYR A 1 57 ? 40.581 3.750 9.602 1.00 13.41 ? 57 TYR A CA 1 ATOM 410 C C . TYR A 1 57 ? 41.832 2.981 10.030 1.00 14.46 ? 57 TYR A C 1 ATOM 411 O O . TYR A 1 57 ? 41.772 2.147 10.948 1.00 14.15 ? 57 TYR A O 1 ATOM 412 C CB . TYR A 1 57 ? 40.332 4.907 10.555 1.00 12.75 ? 57 TYR A CB 1 ATOM 413 C CG . TYR A 1 57 ? 41.493 5.817 10.752 1.00 12.39 ? 57 TYR A CG 1 ATOM 414 C CD1 . TYR A 1 57 ? 42.047 6.499 9.676 1.00 12.04 ? 57 TYR A CD1 1 ATOM 415 C CD2 . TYR A 1 57 ? 41.936 6.133 12.029 1.00 12.18 ? 57 TYR A CD2 1 ATOM 416 C CE1 . TYR A 1 57 ? 43.041 7.436 9.867 1.00 12.18 ? 57 TYR A CE1 1 ATOM 417 C CE2 . TYR A 1 57 ? 42.960 7.035 12.218 1.00 12.79 ? 57 TYR A CE2 1 ATOM 418 C CZ . TYR A 1 57 ? 43.521 7.664 11.135 1.00 12.64 ? 57 TYR A CZ 1 ATOM 419 O OH . TYR A 1 57 ? 44.533 8.563 11.335 1.00 13.50 ? 57 TYR A OH 1 ATOM 420 N N . ASN A 1 58 ? 42.933 3.167 9.301 1.00 15.59 ? 58 ASN A N 1 ATOM 421 C CA . ASN A 1 58 ? 44.189 2.498 9.648 1.00 17.97 ? 58 ASN A CA 1 ATOM 422 C C . ASN A 1 58 ? 45.106 3.627 10.041 1.00 17.22 ? 58 ASN A C 1 ATOM 423 O O . ASN A 1 58 ? 45.624 4.299 9.178 1.00 17.44 ? 58 ASN A O 1 ATOM 424 C CB . ASN A 1 58 ? 44.764 1.780 8.426 1.00 20.54 ? 58 ASN A CB 1 ATOM 425 C CG . ASN A 1 58 ? 46.074 1.068 8.730 1.00 23.10 ? 58 ASN A CG 1 ATOM 426 O OD1 . ASN A 1 58 ? 46.708 1.294 9.762 1.00 23.89 ? 58 ASN A OD1 1 ATOM 427 N ND2 . ASN A 1 58 ? 46.444 0.148 7.859 1.00 24.46 ? 58 ASN A ND2 1 ATOM 428 N N . PRO A 1 59 ? 45.261 3.877 11.331 1.00 17.72 ? 59 PRO A N 1 ATOM 429 C CA . PRO A 1 59 ? 46.060 5.011 11.786 1.00 19.53 ? 59 PRO A CA 1 ATOM 430 C C . PRO A 1 59 ? 47.532 4.952 11.411 1.00 22.43 ? 59 PRO A C 1 ATOM 431 O O . PRO A 1 59 ? 48.161 5.999 11.225 1.00 22.92 ? 59 PRO A O 1 ATOM 432 C CB . PRO A 1 59 ? 45.888 5.009 13.303 1.00 19.35 ? 59 PRO A CB 1 ATOM 433 C CG . PRO A 1 59 ? 45.204 3.747 13.652 1.00 19.32 ? 59 PRO A CG 1 ATOM 434 C CD . PRO A 1 59 ? 44.576 3.170 12.422 1.00 18.41 ? 59 PRO A CD 1 ATOM 435 N N . SER A 1 60 ? 48.067 3.737 11.266 1.00 24.63 ? 60 SER A N 1 ATOM 436 C CA . SER A 1 60 ? 49.492 3.557 10.926 1.00 27.63 ? 60 SER A CA 1 ATOM 437 C C . SER A 1 60 ? 49.880 4.115 9.564 1.00 28.87 ? 60 SER A C 1 ATOM 438 O O . SER A 1 60 ? 51.039 4.506 9.345 1.00 30.31 ? 60 SER A O 1 ATOM 439 C CB . SER A 1 60 ? 49.862 2.082 10.910 1.00 28.63 ? 60 SER A CB 1 ATOM 440 O OG A SER A 1 60 ? 49.371 1.477 9.725 0.49 28.98 ? 60 SER A OG 1 ATOM 441 O OG B SER A 1 60 ? 49.661 1.497 12.185 0.51 29.17 ? 60 SER A OG 1 ATOM 442 N N . ALA A 1 61 ? 48.939 4.097 8.625 1.00 27.64 ? 61 ALA A N 1 ATOM 443 C CA . ALA A 1 61 ? 49.223 4.583 7.286 1.00 26.57 ? 61 ALA A CA 1 ATOM 444 C C . ALA A 1 61 ? 49.435 6.086 7.123 1.00 25.34 ? 61 ALA A C 1 ATOM 445 O O . ALA A 1 61 ? 50.282 6.512 6.322 1.00 25.41 ? 61 ALA A O 1 ATOM 446 C CB . ALA A 1 61 ? 48.160 4.131 6.335 1.00 27.27 ? 61 ALA A CB 1 ATOM 447 N N . THR A 1 62 ? 48.679 6.885 7.880 1.00 22.04 ? 62 THR A N 1 ATOM 448 C CA . THR A 1 62 ? 48.688 8.325 7.698 1.00 19.32 ? 62 THR A CA 1 ATOM 449 C C . THR A 1 62 ? 48.584 9.183 8.950 1.00 17.90 ? 62 THR A C 1 ATOM 450 O O . THR A 1 62 ? 48.808 10.393 8.903 1.00 17.50 ? 62 THR A O 1 ATOM 451 C CB . THR A 1 62 ? 47.463 8.696 6.825 1.00 19.45 ? 62 THR A CB 1 ATOM 452 O OG1 . THR A 1 62 ? 46.258 8.216 7.450 1.00 18.45 ? 62 THR A OG1 1 ATOM 453 C CG2 . THR A 1 62 ? 47.584 8.002 5.480 1.00 20.30 ? 62 THR A CG2 1 ATOM 454 N N . GLY A 1 63 ? 48.192 8.592 10.067 1.00 17.50 ? 63 GLY A N 1 ATOM 455 C CA . GLY A 1 63 ? 48.006 9.418 11.259 1.00 17.66 ? 63 GLY A CA 1 ATOM 456 C C . GLY A 1 63 ? 49.232 9.660 12.112 1.00 16.87 ? 63 GLY A C 1 ATOM 457 O O . GLY A 1 63 ? 50.180 8.905 12.043 1.00 16.83 ? 63 GLY A O 1 ATOM 458 N N . LYS A 1 64 ? 49.229 10.760 12.851 1.00 16.02 ? 64 LYS A N 1 ATOM 459 C CA . LYS A 1 64 ? 50.289 11.082 13.796 1.00 17.39 ? 64 LYS A CA 1 ATOM 460 C C . LYS A 1 64 ? 49.741 10.765 15.182 1.00 16.10 ? 64 LYS A C 1 ATOM 461 O O . LYS A 1 64 ? 48.818 11.437 15.622 1.00 14.91 ? 64 LYS A O 1 ATOM 462 C CB . LYS A 1 64 ? 50.613 12.576 13.739 1.00 21.66 ? 64 LYS A CB 1 ATOM 463 C CG . LYS A 1 64 ? 51.201 13.009 12.413 1.00 27.14 ? 64 LYS A CG 1 ATOM 464 C CD . LYS A 1 64 ? 51.293 14.548 12.286 1.00 31.45 ? 64 LYS A CD 1 ATOM 465 C CE . LYS A 1 64 ? 51.778 14.946 10.878 1.00 34.70 ? 64 LYS A CE 1 ATOM 466 N NZ . LYS A 1 64 ? 51.677 16.436 10.666 1.00 36.84 ? 64 LYS A NZ 1 ATOM 467 N N . GLU A 1 65 ? 50.321 9.797 15.884 1.00 15.42 ? 65 GLU A N 1 ATOM 468 C CA . GLU A 1 65 ? 49.848 9.422 17.225 1.00 16.26 ? 65 GLU A CA 1 ATOM 469 C C . GLU A 1 65 ? 50.100 10.490 18.303 1.00 16.31 ? 65 GLU A C 1 ATOM 470 O O . GLU A 1 65 ? 51.174 11.105 18.304 1.00 17.39 ? 65 GLU A O 1 ATOM 471 C CB . GLU A 1 65 ? 50.539 8.129 17.652 1.00 17.73 ? 65 GLU A CB 1 ATOM 472 C CG . GLU A 1 65 ? 50.105 7.618 18.999 1.00 20.54 ? 65 GLU A CG 1 ATOM 473 C CD . GLU A 1 65 ? 50.665 6.234 19.336 1.00 23.49 ? 65 GLU A CD 1 ATOM 474 O OE1 . GLU A 1 65 ? 51.457 5.672 18.558 1.00 25.48 ? 65 GLU A OE1 1 ATOM 475 O OE2 . GLU A 1 65 ? 50.291 5.679 20.380 1.00 24.12 ? 65 GLU A OE2 1 ATOM 476 N N . LEU A 1 66 ? 49.110 10.774 19.164 1.00 13.98 ? 66 LEU A N 1 ATOM 477 C CA . LEU A 1 66 ? 49.343 11.684 20.306 1.00 14.47 ? 66 LEU A CA 1 ATOM 478 C C . LEU A 1 66 ? 49.697 10.746 21.462 1.00 14.62 ? 66 LEU A C 1 ATOM 479 O O . LEU A 1 66 ? 48.820 10.121 22.071 1.00 12.99 ? 66 LEU A O 1 ATOM 480 C CB . LEU A 1 66 ? 48.104 12.493 20.670 1.00 15.57 ? 66 LEU A CB 1 ATOM 481 C CG . LEU A 1 66 ? 47.627 13.512 19.638 1.00 18.24 ? 66 LEU A CG 1 ATOM 482 C CD1 . LEU A 1 66 ? 46.524 14.366 20.235 1.00 19.06 ? 66 LEU A CD1 1 ATOM 483 C CD2 . LEU A 1 66 ? 48.735 14.394 19.195 1.00 20.39 ? 66 LEU A CD2 1 ATOM 484 N N . SER A 1 67 ? 50.986 10.572 21.741 1.00 15.22 ? 67 SER A N 1 ATOM 485 C CA . SER A 1 67 ? 51.352 9.609 22.782 1.00 16.02 ? 67 SER A CA 1 ATOM 486 C C . SER A 1 67 ? 50.764 9.981 24.148 1.00 15.55 ? 67 SER A C 1 ATOM 487 O O . SER A 1 67 ? 50.783 11.147 24.552 1.00 15.53 ? 67 SER A O 1 ATOM 488 C CB . SER A 1 67 ? 52.882 9.413 22.867 1.00 16.16 ? 67 SER A CB 1 ATOM 489 O OG A SER A 1 67 ? 53.247 8.469 23.872 0.55 16.27 ? 67 SER A OG 1 ATOM 490 O OG B SER A 1 67 ? 53.540 10.627 23.167 0.45 16.20 ? 67 SER A OG 1 ATOM 491 N N . GLY A 1 68 ? 50.239 8.975 24.832 1.00 15.57 ? 68 GLY A N 1 ATOM 492 C CA . GLY A 1 68 ? 49.661 9.156 26.156 1.00 16.07 ? 68 GLY A CA 1 ATOM 493 C C . GLY A 1 68 ? 48.210 9.658 26.184 1.00 15.90 ? 68 GLY A C 1 ATOM 494 O O . GLY A 1 68 ? 47.658 9.856 27.263 1.00 16.76 ? 68 GLY A O 1 ATOM 495 N N . TYR A 1 69 ? 47.641 9.965 25.019 1.00 14.53 ? 69 TYR A N 1 ATOM 496 C CA . TYR A 1 69 ? 46.265 10.471 24.961 1.00 13.31 ? 69 TYR A CA 1 ATOM 497 C C . TYR A 1 69 ? 45.271 9.329 24.774 1.00 13.36 ? 69 TYR A C 1 ATOM 498 O O . TYR A 1 69 ? 45.538 8.362 24.056 1.00 14.26 ? 69 TYR A O 1 ATOM 499 C CB . TYR A 1 69 ? 46.121 11.524 23.849 1.00 13.00 ? 69 TYR A CB 1 ATOM 500 C CG . TYR A 1 69 ? 46.696 12.876 24.213 1.00 13.67 ? 69 TYR A CG 1 ATOM 501 C CD1 . TYR A 1 69 ? 48.049 13.046 24.460 1.00 14.63 ? 69 TYR A CD1 1 ATOM 502 C CD2 . TYR A 1 69 ? 45.886 13.989 24.255 1.00 14.58 ? 69 TYR A CD2 1 ATOM 503 C CE1 . TYR A 1 69 ? 48.553 14.296 24.808 1.00 15.21 ? 69 TYR A CE1 1 ATOM 504 C CE2 . TYR A 1 69 ? 46.381 15.221 24.563 1.00 15.76 ? 69 TYR A CE2 1 ATOM 505 C CZ . TYR A 1 69 ? 47.703 15.366 24.855 1.00 17.35 ? 69 TYR A CZ 1 ATOM 506 O OH . TYR A 1 69 ? 48.153 16.623 25.171 1.00 20.79 ? 69 TYR A OH 1 ATOM 507 N N . THR A 1 70 ? 44.094 9.472 25.365 1.00 11.96 ? 70 THR A N 1 ATOM 508 C CA . THR A 1 70 ? 43.072 8.439 25.241 1.00 12.49 ? 70 THR A CA 1 ATOM 509 C C . THR A 1 70 ? 41.712 9.128 25.243 1.00 11.66 ? 70 THR A C 1 ATOM 510 O O . THR A 1 70 ? 41.606 10.328 25.514 1.00 11.25 ? 70 THR A O 1 ATOM 511 C CB . THR A 1 70 ? 43.102 7.476 26.448 1.00 14.92 ? 70 THR A CB 1 ATOM 512 O OG1 . THR A 1 70 ? 42.862 8.223 27.659 1.00 15.75 ? 70 THR A OG1 1 ATOM 513 C CG2 . THR A 1 70 ? 44.495 6.769 26.541 1.00 15.80 ? 70 THR A CG2 1 ATOM 514 N N . TRP A 1 71 ? 40.686 8.361 24.906 1.00 10.73 ? 71 TRP A N 1 ATOM 515 C CA . TRP A 1 71 ? 39.325 8.905 24.908 1.00 10.81 ? 71 TRP A CA 1 ATOM 516 C C . TRP A 1 71 ? 38.383 7.763 25.326 1.00 11.05 ? 71 TRP A C 1 ATOM 517 O O . TRP A 1 71 ? 38.701 6.579 25.175 1.00 9.98 ? 71 TRP A O 1 ATOM 518 C CB . TRP A 1 71 ? 38.920 9.483 23.544 1.00 9.12 ? 71 TRP A CB 1 ATOM 519 C CG . TRP A 1 71 ? 38.919 8.454 22.445 1.00 9.82 ? 71 TRP A CG 1 ATOM 520 C CD1 . TRP A 1 71 ? 40.016 7.964 21.769 1.00 9.59 ? 71 TRP A CD1 1 ATOM 521 C CD2 . TRP A 1 71 ? 37.788 7.693 21.963 1.00 10.39 ? 71 TRP A CD2 1 ATOM 522 N NE1 . TRP A 1 71 ? 39.635 6.946 20.909 1.00 9.50 ? 71 TRP A NE1 1 ATOM 523 C CE2 . TRP A 1 71 ? 38.274 6.782 20.995 1.00 10.05 ? 71 TRP A CE2 1 ATOM 524 C CE3 . TRP A 1 71 ? 36.421 7.664 22.289 1.00 10.78 ? 71 TRP A CE3 1 ATOM 525 C CZ2 . TRP A 1 71 ? 37.426 5.926 20.283 1.00 10.56 ? 71 TRP A CZ2 1 ATOM 526 C CZ3 . TRP A 1 71 ? 35.594 6.795 21.594 1.00 10.97 ? 71 TRP A CZ3 1 ATOM 527 C CH2 . TRP A 1 71 ? 36.099 5.920 20.628 1.00 10.51 ? 71 TRP A CH2 1 ATOM 528 N N . SER A 1 72 ? 37.232 8.145 25.879 1.00 11.99 ? 72 SER A N 1 ATOM 529 C CA . SER A 1 72 ? 36.237 7.179 26.335 1.00 13.87 ? 72 SER A CA 1 ATOM 530 C C . SER A 1 72 ? 34.923 7.936 26.398 1.00 14.34 ? 72 SER A C 1 ATOM 531 O O . SER A 1 72 ? 34.835 8.989 27.035 1.00 14.56 ? 72 SER A O 1 ATOM 532 C CB . SER A 1 72 ? 36.609 6.737 27.737 1.00 16.71 ? 72 SER A CB 1 ATOM 533 O OG . SER A 1 72 ? 35.703 5.761 28.182 1.00 18.76 ? 72 SER A OG 1 ATOM 534 N N . ILE A 1 73 ? 33.883 7.404 25.778 1.00 13.88 ? 73 ILE A N 1 ATOM 535 C CA . ILE A 1 73 ? 32.635 8.145 25.759 1.00 13.78 ? 73 ILE A CA 1 ATOM 536 C C . ILE A 1 73 ? 31.482 7.175 25.982 1.00 15.20 ? 73 ILE A C 1 ATOM 537 O O . ILE A 1 73 ? 31.573 5.987 25.613 1.00 14.24 ? 73 ILE A O 1 ATOM 538 C CB . ILE A 1 73 ? 32.474 8.910 24.414 1.00 13.82 ? 73 ILE A CB 1 ATOM 539 C CG1 . ILE A 1 73 ? 31.224 9.803 24.439 1.00 14.02 ? 73 ILE A CG1 1 ATOM 540 C CG2 . ILE A 1 73 ? 32.371 7.918 23.241 1.00 13.39 ? 73 ILE A CG2 1 ATOM 541 C CD1 . ILE A 1 73 ? 31.125 10.755 23.245 1.00 14.04 ? 73 ILE A CD1 1 ATOM 542 N N . SER A 1 74 ? 30.431 7.682 26.643 1.00 15.89 ? 74 SER A N 1 ATOM 543 C CA . SER A 1 74 ? 29.229 6.897 26.952 1.00 18.40 ? 74 SER A CA 1 ATOM 544 C C . SER A 1 74 ? 28.040 7.754 26.550 1.00 16.20 ? 74 SER A C 1 ATOM 545 O O . SER A 1 74 ? 27.984 8.937 26.860 1.00 16.53 ? 74 SER A O 1 ATOM 546 C CB . SER A 1 74 ? 29.106 6.620 28.459 1.00 22.73 ? 74 SER A CB 1 ATOM 547 O OG . SER A 1 74 ? 30.169 5.803 28.918 1.00 26.01 ? 74 SER A OG 1 ATOM 548 N N . TYR A 1 75 ? 27.137 7.159 25.793 1.00 13.86 ? 75 TYR A N 1 ATOM 549 C CA . TYR A 1 75 ? 25.978 7.876 25.277 1.00 14.61 ? 75 TYR A CA 1 ATOM 550 C C . TYR A 1 75 ? 24.753 7.618 26.123 1.00 16.55 ? 75 TYR A C 1 ATOM 551 O O . TYR A 1 75 ? 24.718 6.641 26.890 1.00 16.66 ? 75 TYR A O 1 ATOM 552 C CB . TYR A 1 75 ? 25.725 7.501 23.806 1.00 14.21 ? 75 TYR A CB 1 ATOM 553 C CG . TYR A 1 75 ? 26.894 7.874 22.901 1.00 13.85 ? 75 TYR A CG 1 ATOM 554 C CD1 . TYR A 1 75 ? 27.030 9.164 22.414 1.00 13.19 ? 75 TYR A CD1 1 ATOM 555 C CD2 . TYR A 1 75 ? 27.871 6.931 22.549 1.00 14.05 ? 75 TYR A CD2 1 ATOM 556 C CE1 . TYR A 1 75 ? 28.092 9.514 21.562 1.00 13.24 ? 75 TYR A CE1 1 ATOM 557 C CE2 . TYR A 1 75 ? 28.949 7.282 21.720 1.00 13.78 ? 75 TYR A CE2 1 ATOM 558 C CZ . TYR A 1 75 ? 29.045 8.578 21.238 1.00 13.56 ? 75 TYR A CZ 1 ATOM 559 O OH . TYR A 1 75 ? 30.099 8.938 20.409 1.00 13.71 ? 75 TYR A OH 1 ATOM 560 N N . GLY A 1 76 ? 23.723 8.430 25.878 1.00 17.65 ? 76 GLY A N 1 ATOM 561 C CA . GLY A 1 76 ? 22.449 8.360 26.600 1.00 19.05 ? 76 GLY A CA 1 ATOM 562 C C . GLY A 1 76 ? 21.800 6.979 26.633 1.00 21.80 ? 76 GLY A C 1 ATOM 563 O O . GLY A 1 76 ? 21.128 6.623 27.616 1.00 22.49 ? 76 GLY A O 1 ATOM 564 N N . ASP A 1 77 ? 21.979 6.199 25.573 1.00 23.00 ? 77 ASP A N 1 ATOM 565 C CA . ASP A 1 77 ? 21.391 4.866 25.514 1.00 24.37 ? 77 ASP A CA 1 ATOM 566 C C . ASP A 1 77 ? 22.243 3.832 26.249 1.00 24.23 ? 77 ASP A C 1 ATOM 567 O O . ASP A 1 77 ? 21.928 2.648 26.229 1.00 25.00 ? 77 ASP A O 1 ATOM 568 C CB . ASP A 1 77 ? 21.219 4.411 24.066 1.00 26.10 ? 77 ASP A CB 1 ATOM 569 C CG . ASP A 1 77 ? 22.529 4.007 23.445 1.00 27.42 ? 77 ASP A CG 1 ATOM 570 O OD1 . ASP A 1 77 ? 23.556 4.660 23.768 1.00 26.49 ? 77 ASP A OD1 1 ATOM 571 O OD2 . ASP A 1 77 ? 22.560 2.926 22.805 1.00 29.01 ? 77 ASP A OD2 1 ATOM 572 N N . GLY A 1 78 ? 23.344 4.261 26.856 1.00 23.58 ? 78 GLY A N 1 ATOM 573 C CA . GLY A 1 78 ? 24.215 3.322 27.573 1.00 22.93 ? 78 GLY A CA 1 ATOM 574 C C . GLY A 1 78 ? 25.359 2.701 26.756 1.00 22.75 ? 78 GLY A C 1 ATOM 575 O O . GLY A 1 78 ? 26.212 1.987 27.292 1.00 23.31 ? 78 GLY A O 1 ATOM 576 N N . SER A 1 79 ? 25.368 2.939 25.454 1.00 21.09 ? 79 SER A N 1 ATOM 577 C CA . SER A 1 79 ? 26.431 2.380 24.617 1.00 19.53 ? 79 SER A CA 1 ATOM 578 C C . SER A 1 79 ? 27.734 3.166 24.886 1.00 17.49 ? 79 SER A C 1 ATOM 579 O O . SER A 1 79 ? 27.703 4.293 25.379 1.00 16.62 ? 79 SER A O 1 ATOM 580 C CB . SER A 1 79 ? 26.018 2.464 23.148 1.00 19.67 ? 79 SER A CB 1 ATOM 581 O OG . SER A 1 79 ? 25.812 3.824 22.798 1.00 20.28 ? 79 SER A OG 1 ATOM 582 N N . SER A 1 80 ? 28.879 2.583 24.547 1.00 16.25 ? 80 SER A N 1 ATOM 583 C CA . SER A 1 80 ? 30.135 3.283 24.805 1.00 15.76 ? 80 SER A CA 1 ATOM 584 C C . SER A 1 80 ? 31.233 2.815 23.852 1.00 14.76 ? 80 SER A C 1 ATOM 585 O O . SER A 1 80 ? 31.105 1.776 23.163 1.00 14.15 ? 80 SER A O 1 ATOM 586 C CB . SER A 1 80 ? 30.589 3.046 26.239 1.00 17.41 ? 80 SER A CB 1 ATOM 587 O OG . SER A 1 80 ? 30.814 1.649 26.442 1.00 19.47 ? 80 SER A OG 1 ATOM 588 N N . ALA A 1 81 ? 32.317 3.591 23.841 1.00 12.65 ? 81 ALA A N 1 ATOM 589 C CA . ALA A 1 81 ? 33.455 3.274 23.002 1.00 12.50 ? 81 ALA A CA 1 ATOM 590 C C . ALA A 1 81 ? 34.670 3.972 23.602 1.00 11.79 ? 81 ALA A C 1 ATOM 591 O O . ALA A 1 81 ? 34.529 4.987 24.276 1.00 11.89 ? 81 ALA A O 1 ATOM 592 C CB . ALA A 1 81 ? 33.188 3.762 21.533 1.00 13.14 ? 81 ALA A CB 1 ATOM 593 N N . SER A 1 82 ? 35.873 3.461 23.337 1.00 12.31 ? 82 SER A N 1 ATOM 594 C CA . SER A 1 82 ? 37.072 4.131 23.852 1.00 11.71 ? 82 SER A CA 1 ATOM 595 C C . SER A 1 82 ? 38.282 3.730 22.977 1.00 10.88 ? 82 SER A C 1 ATOM 596 O O . SER A 1 82 ? 38.216 2.761 22.216 1.00 11.28 ? 82 SER A O 1 ATOM 597 C CB . SER A 1 82 ? 37.305 3.733 25.303 1.00 11.45 ? 82 SER A CB 1 ATOM 598 O OG . SER A 1 82 ? 37.521 2.340 25.378 1.00 12.28 ? 82 SER A OG 1 ATOM 599 N N . GLY A 1 83 ? 39.359 4.496 23.058 1.00 9.55 ? 83 GLY A N 1 ATOM 600 C CA . GLY A 1 83 ? 40.543 4.192 22.248 1.00 9.30 ? 83 GLY A CA 1 ATOM 601 C C . GLY A 1 83 ? 41.641 5.247 22.431 1.00 10.16 ? 83 GLY A C 1 ATOM 602 O O . GLY A 1 83 ? 41.828 5.813 23.536 1.00 9.85 ? 83 GLY A O 1 ATOM 603 N N . ASN A 1 84 ? 42.488 5.340 21.406 1.00 9.95 ? 84 ASN A N 1 ATOM 604 C CA . ASN A 1 84 ? 43.586 6.282 21.376 1.00 10.78 ? 84 ASN A CA 1 ATOM 605 C C . ASN A 1 84 ? 43.376 7.355 20.323 1.00 11.03 ? 84 ASN A C 1 ATOM 606 O O . ASN A 1 84 ? 42.342 7.354 19.618 1.00 10.76 ? 84 ASN A O 1 ATOM 607 C CB . ASN A 1 84 ? 44.945 5.587 21.310 1.00 11.94 ? 84 ASN A CB 1 ATOM 608 C CG . ASN A 1 84 ? 45.058 4.576 20.163 1.00 12.68 ? 84 ASN A CG 1 ATOM 609 O OD1 . ASN A 1 84 ? 46.113 3.943 19.999 1.00 15.56 ? 84 ASN A OD1 1 ATOM 610 N ND2 . ASN A 1 84 ? 44.037 4.452 19.359 1.00 9.62 ? 84 ASN A ND2 1 ATOM 611 N N . VAL A 1 85 ? 44.340 8.272 20.193 1.00 9.20 ? 85 VAL A N 1 ATOM 612 C CA . VAL A 1 85 ? 44.129 9.420 19.366 1.00 8.99 ? 85 VAL A CA 1 ATOM 613 C C . VAL A 1 85 ? 45.264 9.703 18.390 1.00 10.22 ? 85 VAL A C 1 ATOM 614 O O . VAL A 1 85 ? 46.449 9.638 18.762 1.00 10.47 ? 85 VAL A O 1 ATOM 615 C CB . VAL A 1 85 ? 43.992 10.643 20.278 1.00 10.27 ? 85 VAL A CB 1 ATOM 616 C CG1 . VAL A 1 85 ? 43.673 11.891 19.498 1.00 10.97 ? 85 VAL A CG1 1 ATOM 617 C CG2 . VAL A 1 85 ? 42.945 10.394 21.394 1.00 11.70 ? 85 VAL A CG2 1 ATOM 618 N N . PHE A 1 86 ? 44.885 10.085 17.162 1.00 9.92 ? 86 PHE A N 1 ATOM 619 C CA . PHE A 1 86 ? 45.835 10.420 16.098 1.00 9.98 ? 86 PHE A CA 1 ATOM 620 C C . PHE A 1 86 ? 45.319 11.672 15.431 1.00 12.07 ? 86 PHE A C 1 ATOM 621 O O . PHE A 1 86 ? 44.103 11.949 15.475 1.00 14.47 ? 86 PHE A O 1 ATOM 622 C CB . PHE A 1 86 ? 45.832 9.333 15.026 1.00 10.56 ? 86 PHE A CB 1 ATOM 623 C CG . PHE A 1 86 ? 46.287 8.005 15.523 1.00 12.15 ? 86 PHE A CG 1 ATOM 624 C CD1 . PHE A 1 86 ? 45.413 7.163 16.174 1.00 13.49 ? 86 PHE A CD1 1 ATOM 625 C CD2 . PHE A 1 86 ? 47.610 7.605 15.371 1.00 13.48 ? 86 PHE A CD2 1 ATOM 626 C CE1 . PHE A 1 86 ? 45.853 5.931 16.682 1.00 13.90 ? 86 PHE A CE1 1 ATOM 627 C CE2 . PHE A 1 86 ? 48.038 6.368 15.831 1.00 14.38 ? 86 PHE A CE2 1 ATOM 628 C CZ . PHE A 1 86 ? 47.156 5.537 16.499 1.00 14.17 ? 86 PHE A CZ 1 ATOM 629 N N . THR A 1 87 ? 46.224 12.458 14.843 1.00 11.05 ? 87 THR A N 1 ATOM 630 C CA . THR A 1 87 ? 45.796 13.610 14.051 1.00 11.88 ? 87 THR A CA 1 ATOM 631 C C . THR A 1 87 ? 45.913 13.183 12.582 1.00 12.56 ? 87 THR A C 1 ATOM 632 O O . THR A 1 87 ? 46.820 12.419 12.221 1.00 12.54 ? 87 THR A O 1 ATOM 633 C CB . THR A 1 87 ? 46.617 14.867 14.325 1.00 14.33 ? 87 THR A CB 1 ATOM 634 O OG1 . THR A 1 87 ? 48.009 14.598 14.087 1.00 15.87 ? 87 THR A OG1 1 ATOM 635 C CG2 . THR A 1 87 ? 46.425 15.339 15.775 1.00 15.04 ? 87 THR A CG2 1 ATOM 636 N N . ASP A 1 88 ? 45.047 13.700 11.719 1.00 11.49 ? 88 ASP A N 1 ATOM 637 C CA . ASP A 1 88 ? 45.085 13.276 10.322 1.00 10.63 ? 88 ASP A CA 1 ATOM 638 C C . ASP A 1 88 ? 44.222 14.245 9.550 1.00 11.22 ? 88 ASP A C 1 ATOM 639 O O . ASP A 1 88 ? 43.711 15.195 10.128 1.00 12.28 ? 88 ASP A O 1 ATOM 640 C CB . ASP A 1 88 ? 44.515 11.852 10.227 1.00 10.89 ? 88 ASP A CB 1 ATOM 641 C CG . ASP A 1 88 ? 45.071 11.069 9.026 1.00 12.44 ? 88 ASP A CG 1 ATOM 642 O OD1 . ASP A 1 88 ? 45.446 11.672 8.012 1.00 12.54 ? 88 ASP A OD1 1 ATOM 643 O OD2 . ASP A 1 88 ? 45.189 9.839 9.123 1.00 13.10 ? 88 ASP A OD2 1 ATOM 644 N N . SER A 1 89 ? 44.176 14.098 8.234 1.00 11.86 ? 89 SER A N 1 ATOM 645 C CA . SER A 1 89 ? 43.346 14.965 7.407 1.00 14.20 ? 89 SER A CA 1 ATOM 646 C C . SER A 1 89 ? 41.939 14.424 7.384 1.00 12.75 ? 89 SER A C 1 ATOM 647 O O . SER A 1 89 ? 41.754 13.233 7.141 1.00 13.16 ? 89 SER A O 1 ATOM 648 C CB . SER A 1 89 ? 43.861 15.032 5.967 1.00 18.51 ? 89 SER A CB 1 ATOM 649 O OG . SER A 1 89 ? 44.975 15.902 5.940 1.00 23.78 ? 89 SER A OG 1 ATOM 650 N N . VAL A 1 90 ? 40.964 15.323 7.512 1.00 11.71 ? 90 VAL A N 1 ATOM 651 C CA . VAL A 1 90 ? 39.569 14.911 7.514 1.00 11.01 ? 90 VAL A CA 1 ATOM 652 C C . VAL A 1 90 ? 38.789 15.825 6.573 1.00 11.20 ? 90 VAL A C 1 ATOM 653 O O . VAL A 1 90 ? 38.850 17.047 6.677 1.00 11.58 ? 90 VAL A O 1 ATOM 654 C CB . VAL A 1 90 ? 38.970 15.026 8.943 1.00 11.34 ? 90 VAL A CB 1 ATOM 655 C CG1 . VAL A 1 90 ? 37.450 14.706 8.908 1.00 12.29 ? 90 VAL A CG1 1 ATOM 656 C CG2 . VAL A 1 90 ? 39.693 14.061 9.898 1.00 10.05 ? 90 VAL A CG2 1 ATOM 657 N N . THR A 1 91 ? 38.173 15.226 5.564 1.00 11.11 ? 91 THR A N 1 ATOM 658 C CA . THR A 1 91 ? 37.418 16.017 4.597 1.00 11.07 ? 91 THR A CA 1 ATOM 659 C C . THR A 1 91 ? 35.921 15.712 4.648 1.00 11.44 ? 91 THR A C 1 ATOM 660 O O . THR A 1 91 ? 35.516 14.547 4.553 1.00 10.31 ? 91 THR A O 1 ATOM 661 C CB . THR A 1 91 ? 37.946 15.758 3.185 1.00 12.67 ? 91 THR A CB 1 ATOM 662 O OG1 . THR A 1 91 ? 39.343 16.085 3.172 1.00 14.10 ? 91 THR A OG1 1 ATOM 663 C CG2 . THR A 1 91 ? 37.220 16.619 2.185 1.00 12.33 ? 91 THR A CG2 1 ATOM 664 N N . VAL A 1 92 ? 35.115 16.775 4.692 1.00 11.26 ? 92 VAL A N 1 ATOM 665 C CA . VAL A 1 92 ? 33.664 16.633 4.730 1.00 12.27 ? 92 VAL A CA 1 ATOM 666 C C . VAL A 1 92 ? 33.121 17.637 3.715 1.00 11.83 ? 92 VAL A C 1 ATOM 667 O O . VAL A 1 92 ? 33.383 18.835 3.817 1.00 11.42 ? 92 VAL A O 1 ATOM 668 C CB . VAL A 1 92 ? 33.105 17.025 6.141 1.00 13.46 ? 92 VAL A CB 1 ATOM 669 C CG1 . VAL A 1 92 ? 31.600 16.941 6.161 1.00 13.96 ? 92 VAL A CG1 1 ATOM 670 C CG2 . VAL A 1 92 ? 33.682 16.115 7.243 1.00 13.11 ? 92 VAL A CG2 1 ATOM 671 N N . GLY A 1 93 ? 32.411 17.133 2.712 1.00 12.31 ? 93 GLY A N 1 ATOM 672 C CA . GLY A 1 93 ? 31.800 18.023 1.719 1.00 13.12 ? 93 GLY A CA 1 ATOM 673 C C . GLY A 1 93 ? 32.814 18.937 1.034 1.00 14.71 ? 93 GLY A C 1 ATOM 674 O O . GLY A 1 93 ? 32.530 20.093 0.727 1.00 16.38 ? 93 GLY A O 1 ATOM 675 N N . GLY A 1 94 ? 34.009 18.429 0.805 1.00 16.00 ? 94 GLY A N 1 ATOM 676 C CA . GLY A 1 94 ? 35.027 19.228 0.139 1.00 16.45 ? 94 GLY A CA 1 ATOM 677 C C . GLY A 1 94 ? 35.760 20.187 1.071 1.00 17.01 ? 94 GLY A C 1 ATOM 678 O O . GLY A 1 94 ? 36.604 20.973 0.617 1.00 18.49 ? 94 GLY A O 1 ATOM 679 N N . VAL A 1 95 ? 35.383 20.216 2.338 1.00 14.68 ? 95 VAL A N 1 ATOM 680 C CA . VAL A 1 95 ? 36.084 21.077 3.270 1.00 14.76 ? 95 VAL A CA 1 ATOM 681 C C . VAL A 1 95 ? 37.073 20.200 4.037 1.00 14.62 ? 95 VAL A C 1 ATOM 682 O O . VAL A 1 95 ? 36.682 19.156 4.582 1.00 13.47 ? 95 VAL A O 1 ATOM 683 C CB . VAL A 1 95 ? 35.125 21.751 4.212 1.00 16.40 ? 95 VAL A CB 1 ATOM 684 C CG1 . VAL A 1 95 ? 35.903 22.570 5.231 1.00 17.43 ? 95 VAL A CG1 1 ATOM 685 C CG2 . VAL A 1 95 ? 34.156 22.645 3.421 1.00 17.28 ? 95 VAL A CG2 1 ATOM 686 N N . THR A 1 96 ? 38.356 20.573 4.008 1.00 15.70 ? 96 THR A N 1 ATOM 687 C CA . THR A 1 96 ? 39.396 19.779 4.664 1.00 16.41 ? 96 THR A CA 1 ATOM 688 C C . THR A 1 96 ? 39.979 20.364 5.939 1.00 16.77 ? 96 THR A C 1 ATOM 689 O O . THR A 1 96 ? 40.410 21.519 5.961 1.00 17.66 ? 96 THR A O 1 ATOM 690 C CB . THR A 1 96 ? 40.553 19.359 3.705 1.00 17.23 ? 96 THR A CB 1 ATOM 691 O OG1 . THR A 1 96 ? 40.034 18.586 2.618 1.00 17.07 ? 96 THR A OG1 1 ATOM 692 C CG2 . THR A 1 96 ? 41.542 18.488 4.438 1.00 18.07 ? 96 THR A CG2 1 ATOM 693 N N . ALA A 1 97 ? 39.961 19.565 7.003 1.00 16.04 ? 97 ALA A N 1 ATOM 694 C CA . ALA A 1 97 ? 40.584 19.934 8.257 1.00 17.27 ? 97 ALA A CA 1 ATOM 695 C C . ALA A 1 97 ? 41.941 19.220 8.341 1.00 18.34 ? 97 ALA A C 1 ATOM 696 O O . ALA A 1 97 ? 42.025 17.986 8.330 1.00 17.92 ? 97 ALA A O 1 ATOM 697 C CB . ALA A 1 97 ? 39.712 19.559 9.427 1.00 17.64 ? 97 ALA A CB 1 ATOM 698 N N . HIS A 1 98 ? 43.005 19.999 8.356 1.00 19.77 ? 98 HIS A N 1 ATOM 699 C CA . HIS A 1 98 ? 44.301 19.408 8.492 1.00 22.71 ? 98 HIS A CA 1 ATOM 700 C C . HIS A 1 98 ? 44.605 19.356 9.999 1.00 22.20 ? 98 HIS A C 1 ATOM 701 O O . HIS A 1 98 ? 44.286 20.294 10.757 1.00 22.75 ? 98 HIS A O 1 ATOM 702 C CB . HIS A 1 98 ? 45.327 20.236 7.717 1.00 27.23 ? 98 HIS A CB 1 ATOM 703 C CG . HIS A 1 98 ? 45.067 20.271 6.244 1.00 31.10 ? 98 HIS A CG 1 ATOM 704 N ND1 . HIS A 1 98 ? 45.451 19.250 5.399 1.00 33.39 ? 98 HIS A ND1 1 ATOM 705 C CD2 . HIS A 1 98 ? 44.445 21.190 5.463 1.00 32.63 ? 98 HIS A CD2 1 ATOM 706 C CE1 . HIS A 1 98 ? 45.093 19.548 4.160 1.00 33.89 ? 98 HIS A CE1 1 ATOM 707 N NE2 . HIS A 1 98 ? 44.472 20.717 4.174 1.00 33.46 ? 98 HIS A NE2 1 ATOM 708 N N . GLY A 1 99 ? 45.187 18.256 10.444 1.00 20.26 ? 99 GLY A N 1 ATOM 709 C CA . GLY A 1 99 ? 45.522 18.138 11.850 1.00 18.75 ? 99 GLY A CA 1 ATOM 710 C C . GLY A 1 99 ? 44.336 17.876 12.786 1.00 17.74 ? 99 GLY A C 1 ATOM 711 O O . GLY A 1 99 ? 44.441 18.117 13.988 1.00 19.68 ? 99 GLY A O 1 ATOM 712 N N . GLN A 1 100 ? 43.208 17.421 12.246 1.00 13.82 ? 100 GLN A N 1 ATOM 713 C CA . GLN A 1 100 ? 42.027 17.115 13.066 1.00 11.14 ? 100 GLN A CA 1 ATOM 714 C C . GLN A 1 100 ? 42.306 15.879 13.926 1.00 10.48 ? 100 GLN A C 1 ATOM 715 O O . GLN A 1 100 ? 42.860 14.897 13.446 1.00 10.99 ? 100 GLN A O 1 ATOM 716 C CB . GLN A 1 100 ? 40.832 16.820 12.152 1.00 11.06 ? 100 GLN A CB 1 ATOM 717 C CG . GLN A 1 100 ? 39.534 16.331 12.852 1.00 10.56 ? 100 GLN A CG 1 ATOM 718 C CD . GLN A 1 100 ? 38.975 17.329 13.853 1.00 10.93 ? 100 GLN A CD 1 ATOM 719 O OE1 . GLN A 1 100 ? 38.997 18.541 13.637 1.00 11.50 ? 100 GLN A OE1 1 ATOM 720 N NE2 . GLN A 1 100 ? 38.568 16.819 15.016 1.00 11.34 ? 100 GLN A NE2 1 ATOM 721 N N . ALA A 1 101 ? 41.909 15.922 15.192 1.00 9.45 ? 101 ALA A N 1 ATOM 722 C CA . ALA A 1 101 ? 42.085 14.781 16.076 1.00 9.03 ? 101 ALA A CA 1 ATOM 723 C C . ALA A 1 101 ? 41.068 13.702 15.710 1.00 9.97 ? 101 ALA A C 1 ATOM 724 O O . ALA A 1 101 ? 39.870 13.977 15.628 1.00 10.74 ? 101 ALA A O 1 ATOM 725 C CB . ALA A 1 101 ? 41.891 15.210 17.517 1.00 9.30 ? 101 ALA A CB 1 ATOM 726 N N . VAL A 1 102 ? 41.546 12.498 15.425 1.00 9.16 ? 102 VAL A N 1 ATOM 727 C CA . VAL A 1 102 ? 40.695 11.383 15.078 1.00 9.33 ? 102 VAL A CA 1 ATOM 728 C C . VAL A 1 102 ? 40.788 10.346 16.174 1.00 9.63 ? 102 VAL A C 1 ATOM 729 O O . VAL A 1 102 ? 41.877 9.872 16.491 1.00 10.41 ? 102 VAL A O 1 ATOM 730 C CB . VAL A 1 102 ? 41.159 10.768 13.763 1.00 9.57 ? 102 VAL A CB 1 ATOM 731 C CG1 . VAL A 1 102 ? 40.356 9.511 13.449 1.00 10.12 ? 102 VAL A CG1 1 ATOM 732 C CG2 . VAL A 1 102 ? 41.049 11.794 12.667 1.00 10.44 ? 102 VAL A CG2 1 ATOM 733 N N . GLN A 1 103 ? 39.659 9.993 16.770 1.00 8.39 ? 103 GLN A N 1 ATOM 734 C CA . GLN A 1 103 ? 39.650 9.041 17.865 1.00 8.70 ? 103 GLN A CA 1 ATOM 735 C C . GLN A 1 103 ? 39.440 7.627 17.359 1.00 9.68 ? 103 GLN A C 1 ATOM 736 O O . GLN A 1 103 ? 38.346 7.255 16.934 1.00 9.70 ? 103 GLN A O 1 ATOM 737 C CB . GLN A 1 103 ? 38.597 9.486 18.881 1.00 9.00 ? 103 GLN A CB 1 ATOM 738 C CG . GLN A 1 103 ? 38.848 10.957 19.266 1.00 8.84 ? 103 GLN A CG 1 ATOM 739 C CD . GLN A 1 103 ? 37.713 11.557 20.083 1.00 9.53 ? 103 GLN A CD 1 ATOM 740 O OE1 . GLN A 1 103 ? 37.434 12.770 19.969 1.00 10.22 ? 103 GLN A OE1 1 ATOM 741 N NE2 . GLN A 1 103 ? 37.099 10.735 20.951 1.00 7.76 ? 103 GLN A NE2 1 ATOM 742 N N . ALA A 1 104 ? 40.523 6.848 17.378 1.00 9.41 ? 104 ALA A N 1 ATOM 743 C CA . ALA A 1 104 ? 40.498 5.476 16.877 1.00 9.45 ? 104 ALA A CA 1 ATOM 744 C C . ALA A 1 104 ? 39.982 4.512 17.923 1.00 9.65 ? 104 ALA A C 1 ATOM 745 O O . ALA A 1 104 ? 40.530 4.394 19.012 1.00 9.94 ? 104 ALA A O 1 ATOM 746 C CB . ALA A 1 104 ? 41.926 5.056 16.450 1.00 10.50 ? 104 ALA A CB 1 ATOM 747 N N . ALA A 1 105 ? 38.922 3.806 17.591 1.00 10.50 ? 105 ALA A N 1 ATOM 748 C CA . ALA A 1 105 ? 38.361 2.898 18.546 1.00 11.39 ? 105 ALA A CA 1 ATOM 749 C C . ALA A 1 105 ? 39.245 1.685 18.829 1.00 11.53 ? 105 ALA A C 1 ATOM 750 O O . ALA A 1 105 ? 39.798 1.068 17.907 1.00 10.79 ? 105 ALA A O 1 ATOM 751 C CB . ALA A 1 105 ? 37.029 2.448 18.066 1.00 11.15 ? 105 ALA A CB 1 ATOM 752 N N . GLN A 1 106 ? 39.355 1.355 20.114 1.00 12.41 ? 106 GLN A N 1 ATOM 753 C CA . GLN A 1 106 ? 39.987 0.127 20.581 1.00 13.83 ? 106 GLN A CA 1 ATOM 754 C C . GLN A 1 106 ? 38.944 -0.828 21.180 1.00 14.84 ? 106 GLN A C 1 ATOM 755 O O . GLN A 1 106 ? 39.122 -2.062 21.177 1.00 15.46 ? 106 GLN A O 1 ATOM 756 C CB . GLN A 1 106 ? 41.092 0.419 21.588 1.00 14.97 ? 106 GLN A CB 1 ATOM 757 C CG . GLN A 1 106 ? 42.345 0.904 20.920 1.00 15.38 ? 106 GLN A CG 1 ATOM 758 C CD . GLN A 1 106 ? 43.399 1.292 21.905 1.00 17.93 ? 106 GLN A CD 1 ATOM 759 O OE1 . GLN A 1 106 ? 43.157 2.121 22.784 1.00 18.55 ? 106 GLN A OE1 1 ATOM 760 N NE2 . GLN A 1 106 ? 44.577 0.654 21.805 1.00 18.46 ? 106 GLN A NE2 1 ATOM 761 N N . GLN A 1 107 ? 37.861 -0.263 21.690 1.00 14.61 ? 107 GLN A N 1 ATOM 762 C CA . GLN A 1 107 ? 36.806 -1.063 22.296 1.00 16.87 ? 107 GLN A CA 1 ATOM 763 C C . GLN A 1 107 ? 35.480 -0.372 21.981 1.00 15.74 ? 107 GLN A C 1 ATOM 764 O O . GLN A 1 107 ? 35.392 0.857 21.984 1.00 15.16 ? 107 GLN A O 1 ATOM 765 C CB . GLN A 1 107 ? 36.959 -1.096 23.815 1.00 22.54 ? 107 GLN A CB 1 ATOM 766 C CG . GLN A 1 107 ? 38.238 -1.713 24.323 1.00 29.99 ? 107 GLN A CG 1 ATOM 767 C CD . GLN A 1 107 ? 38.298 -1.799 25.866 1.00 36.34 ? 107 GLN A CD 1 ATOM 768 O OE1 . GLN A 1 107 ? 37.502 -1.156 26.581 1.00 38.48 ? 107 GLN A OE1 1 ATOM 769 N NE2 . GLN A 1 107 ? 39.259 -2.584 26.384 1.00 38.31 ? 107 GLN A NE2 1 ATOM 770 N N . ILE A 1 108 ? 34.455 -1.185 21.738 1.00 14.91 ? 108 ILE A N 1 ATOM 771 C CA . ILE A 1 108 ? 33.099 -0.708 21.445 1.00 15.02 ? 108 ILE A CA 1 ATOM 772 C C . ILE A 1 108 ? 32.098 -1.669 22.082 1.00 16.24 ? 108 ILE A C 1 ATOM 773 O O . ILE A 1 108 ? 32.344 -2.880 22.152 1.00 16.16 ? 108 ILE A O 1 ATOM 774 C CB . ILE A 1 108 ? 32.797 -0.672 19.929 1.00 14.72 ? 108 ILE A CB 1 ATOM 775 C CG1 . ILE A 1 108 ? 33.076 -2.041 19.279 1.00 14.89 ? 108 ILE A CG1 1 ATOM 776 C CG2 . ILE A 1 108 ? 33.573 0.439 19.258 1.00 15.52 ? 108 ILE A CG2 1 ATOM 777 C CD1 . ILE A 1 108 ? 32.681 -2.132 17.784 1.00 14.72 ? 108 ILE A CD1 1 ATOM 778 N N . SER A 1 109 ? 30.996 -1.107 22.583 1.00 17.51 ? 109 SER A N 1 ATOM 779 C CA . SER A 1 109 ? 29.952 -1.891 23.240 1.00 18.57 ? 109 SER A CA 1 ATOM 780 C C . SER A 1 109 ? 29.127 -2.634 22.207 1.00 21.37 ? 109 SER A C 1 ATOM 781 O O . SER A 1 109 ? 29.259 -2.403 21.004 1.00 20.82 ? 109 SER A O 1 ATOM 782 C CB . SER A 1 109 ? 29.071 -1.004 24.125 1.00 18.42 ? 109 SER A CB 1 ATOM 783 O OG . SER A 1 109 ? 28.420 -0.007 23.372 1.00 18.28 ? 109 SER A OG 1 ATOM 784 N N . ALA A 1 110 ? 28.245 -3.508 22.677 1.00 23.13 ? 110 ALA A N 1 ATOM 785 C CA . ALA A 1 110 ? 27.436 -4.316 21.769 1.00 24.16 ? 110 ALA A CA 1 ATOM 786 C C . ALA A 1 110 ? 26.585 -3.563 20.758 1.00 23.94 ? 110 ALA A C 1 ATOM 787 O O . ALA A 1 110 ? 26.381 -4.035 19.647 1.00 23.89 ? 110 ALA A O 1 ATOM 788 C CB . ALA A 1 110 ? 26.584 -5.293 22.548 1.00 24.62 ? 110 ALA A CB 1 ATOM 789 N N . GLN A 1 111 ? 26.034 -2.426 21.154 1.00 24.66 ? 111 GLN A N 1 ATOM 790 C CA . GLN A 1 111 ? 25.201 -1.687 20.233 1.00 26.25 ? 111 GLN A CA 1 ATOM 791 C C . GLN A 1 111 ? 26.005 -1.355 18.979 1.00 25.64 ? 111 GLN A C 1 ATOM 792 O O . GLN A 1 111 ? 25.505 -1.449 17.857 1.00 26.46 ? 111 GLN A O 1 ATOM 793 C CB . GLN A 1 111 ? 24.662 -0.395 20.855 1.00 29.01 ? 111 GLN A CB 1 ATOM 794 C CG . GLN A 1 111 ? 23.802 -0.548 22.104 1.00 31.99 ? 111 GLN A CG 1 ATOM 795 C CD . GLN A 1 111 ? 24.610 -0.689 23.407 1.00 34.63 ? 111 GLN A CD 1 ATOM 796 O OE1 . GLN A 1 111 ? 24.113 -0.373 24.498 1.00 36.12 ? 111 GLN A OE1 1 ATOM 797 N NE2 . GLN A 1 111 ? 25.854 -1.148 23.297 1.00 34.54 ? 111 GLN A NE2 1 ATOM 798 N N . PHE A 1 112 ? 27.258 -0.954 19.162 1.00 23.31 ? 112 PHE A N 1 ATOM 799 C CA . PHE A 1 112 ? 28.066 -0.620 18.010 1.00 22.16 ? 112 PHE A CA 1 ATOM 800 C C . PHE A 1 112 ? 28.485 -1.849 17.218 1.00 24.90 ? 112 PHE A C 1 ATOM 801 O O . PHE A 1 112 ? 28.505 -1.831 15.994 1.00 25.07 ? 112 PHE A O 1 ATOM 802 C CB . PHE A 1 112 ? 29.249 0.239 18.409 1.00 18.58 ? 112 PHE A CB 1 ATOM 803 C CG . PHE A 1 112 ? 28.847 1.580 18.909 1.00 16.16 ? 112 PHE A CG 1 ATOM 804 C CD1 . PHE A 1 112 ? 28.192 2.453 18.079 1.00 15.89 ? 112 PHE A CD1 1 ATOM 805 C CD2 . PHE A 1 112 ? 29.125 1.969 20.206 1.00 15.96 ? 112 PHE A CD2 1 ATOM 806 C CE1 . PHE A 1 112 ? 27.807 3.690 18.523 1.00 16.30 ? 112 PHE A CE1 1 ATOM 807 C CE2 . PHE A 1 112 ? 28.753 3.226 20.666 1.00 15.98 ? 112 PHE A CE2 1 ATOM 808 C CZ . PHE A 1 112 ? 28.095 4.089 19.822 1.00 16.19 ? 112 PHE A CZ 1 ATOM 809 N N . GLN A 1 113 ? 28.803 -2.923 17.922 1.00 27.36 ? 113 GLN A N 1 ATOM 810 C CA . GLN A 1 113 ? 29.201 -4.147 17.253 1.00 30.75 ? 113 GLN A CA 1 ATOM 811 C C . GLN A 1 113 ? 28.057 -4.690 16.395 1.00 32.94 ? 113 GLN A C 1 ATOM 812 O O . GLN A 1 113 ? 28.249 -5.635 15.641 1.00 33.27 ? 113 GLN A O 1 ATOM 813 C CB . GLN A 1 113 ? 29.584 -5.190 18.294 1.00 32.69 ? 113 GLN A CB 1 ATOM 814 C CG . GLN A 1 113 ? 30.596 -4.680 19.304 1.00 35.00 ? 113 GLN A CG 1 ATOM 815 C CD . GLN A 1 113 ? 30.964 -5.722 20.338 1.00 36.33 ? 113 GLN A CD 1 ATOM 816 O OE1 . GLN A 1 113 ? 30.836 -6.922 20.080 1.00 37.58 ? 113 GLN A OE1 1 ATOM 817 N NE2 . GLN A 1 113 ? 31.323 -5.275 21.548 1.00 36.04 ? 113 GLN A NE2 1 ATOM 818 N N . GLN A 1 114 ? 26.836 -4.201 16.616 1.00 34.35 ? 114 GLN A N 1 ATOM 819 C CA . GLN A 1 114 ? 25.696 -4.680 15.842 1.00 35.61 ? 114 GLN A CA 1 ATOM 820 C C . GLN A 1 114 ? 25.300 -3.816 14.679 1.00 33.86 ? 114 GLN A C 1 ATOM 821 O O . GLN A 1 114 ? 24.772 -4.312 13.687 1.00 34.66 ? 114 GLN A O 1 ATOM 822 C CB . GLN A 1 114 ? 24.492 -4.993 16.716 1.00 39.11 ? 114 GLN A CB 1 ATOM 823 C CG . GLN A 1 114 ? 24.760 -6.160 17.612 1.00 43.18 ? 114 GLN A CG 1 ATOM 824 C CD . GLN A 1 114 ? 23.537 -6.619 18.350 1.00 47.14 ? 114 GLN A CD 1 ATOM 825 O OE1 . GLN A 1 114 ? 22.665 -5.815 18.710 1.00 48.40 ? 114 GLN A OE1 1 ATOM 826 N NE2 . GLN A 1 114 ? 23.432 -7.937 18.543 1.00 48.75 ? 114 GLN A NE2 1 ATOM 827 N N . ASP A 1 115 ? 25.513 -2.516 14.813 1.00 31.28 ? 115 ASP A N 1 ATOM 828 C CA . ASP A 1 115 ? 25.129 -1.593 13.762 1.00 29.83 ? 115 ASP A CA 1 ATOM 829 C C . ASP A 1 115 ? 26.144 -1.533 12.648 1.00 27.52 ? 115 ASP A C 1 ATOM 830 O O . ASP A 1 115 ? 27.195 -0.916 12.812 1.00 27.96 ? 115 ASP A O 1 ATOM 831 C CB . ASP A 1 115 ? 24.984 -0.193 14.333 1.00 30.86 ? 115 ASP A CB 1 ATOM 832 C CG . ASP A 1 115 ? 24.421 0.786 13.324 1.00 32.15 ? 115 ASP A CG 1 ATOM 833 O OD1 . ASP A 1 115 ? 24.210 0.410 12.137 1.00 32.95 ? 115 ASP A OD1 1 ATOM 834 O OD2 . ASP A 1 115 ? 24.137 1.926 13.738 1.00 32.24 ? 115 ASP A OD2 1 ATOM 835 N N . THR A 1 116 ? 25.815 -2.103 11.496 1.00 25.57 ? 116 THR A N 1 ATOM 836 C CA . THR A 1 116 ? 26.741 -2.021 10.373 1.00 25.51 ? 116 THR A CA 1 ATOM 837 C C . THR A 1 116 ? 26.443 -0.833 9.488 1.00 23.26 ? 116 THR A C 1 ATOM 838 O O . THR A 1 116 ? 27.050 -0.692 8.433 1.00 23.78 ? 116 THR A O 1 ATOM 839 C CB . THR A 1 116 ? 26.845 -3.313 9.528 1.00 28.38 ? 116 THR A CB 1 ATOM 840 O OG1 . THR A 1 116 ? 25.551 -3.674 9.024 1.00 30.67 ? 116 THR A OG1 1 ATOM 841 C CG2 . THR A 1 116 ? 27.399 -4.466 10.349 1.00 28.02 ? 116 THR A CG2 1 ATOM 842 N N . ASN A 1 117 ? 25.479 -0.010 9.891 1.00 21.05 ? 117 ASN A N 1 ATOM 843 C CA . ASN A 1 117 ? 25.119 1.164 9.107 1.00 21.19 ? 117 ASN A CA 1 ATOM 844 C C . ASN A 1 117 ? 26.130 2.314 9.192 1.00 18.53 ? 117 ASN A C 1 ATOM 845 O O . ASN A 1 117 ? 26.174 3.168 8.300 1.00 19.04 ? 117 ASN A O 1 ATOM 846 C CB . ASN A 1 117 ? 23.748 1.691 9.506 1.00 24.85 ? 117 ASN A CB 1 ATOM 847 C CG . ASN A 1 117 ? 22.616 0.795 9.041 1.00 28.82 ? 117 ASN A CG 1 ATOM 848 O OD1 . ASN A 1 117 ? 22.613 0.320 7.896 1.00 30.72 ? 117 ASN A OD1 1 ATOM 849 N ND2 . ASN A 1 117 ? 21.660 0.536 9.936 1.00 29.13 ? 117 ASN A ND2 1 ATOM 850 N N . ASN A 1 118 ? 26.910 2.381 10.264 1.00 15.03 ? 118 ASN A N 1 ATOM 851 C CA . ASN A 1 118 ? 27.872 3.463 10.350 1.00 13.25 ? 118 ASN A CA 1 ATOM 852 C C . ASN A 1 118 ? 29.205 2.934 10.770 1.00 11.90 ? 118 ASN A C 1 ATOM 853 O O . ASN A 1 118 ? 29.323 1.789 11.227 1.00 11.99 ? 118 ASN A O 1 ATOM 854 C CB . ASN A 1 118 ? 27.445 4.600 11.281 1.00 15.07 ? 118 ASN A CB 1 ATOM 855 C CG . ASN A 1 118 ? 27.538 4.241 12.780 1.00 17.17 ? 118 ASN A CG 1 ATOM 856 O OD1 . ASN A 1 118 ? 28.579 3.847 13.304 1.00 16.85 ? 118 ASN A OD1 1 ATOM 857 N ND2 . ASN A 1 118 ? 26.395 4.331 13.459 1.00 19.41 ? 118 ASN A ND2 1 ATOM 858 N N . ASP A 1 119 ? 30.213 3.767 10.544 1.00 10.10 ? 119 ASP A N 1 ATOM 859 C CA . ASP A 1 119 ? 31.580 3.435 10.895 1.00 10.41 ? 119 ASP A CA 1 ATOM 860 C C . ASP A 1 119 ? 32.108 4.336 12.019 1.00 10.71 ? 119 ASP A C 1 ATOM 861 O O . ASP A 1 119 ? 33.323 4.495 12.155 1.00 10.45 ? 119 ASP A O 1 ATOM 862 C CB . ASP A 1 119 ? 32.464 3.578 9.652 1.00 9.99 ? 119 ASP A CB 1 ATOM 863 C CG . ASP A 1 119 ? 31.970 2.740 8.489 1.00 10.92 ? 119 ASP A CG 1 ATOM 864 O OD1 . ASP A 1 119 ? 31.661 1.551 8.728 1.00 10.48 ? 119 ASP A OD1 1 ATOM 865 O OD2 . ASP A 1 119 ? 31.795 3.300 7.375 1.00 12.39 ? 119 ASP A OD2 1 ATOM 866 N N . GLY A 1 120 ? 31.216 5.044 12.712 1.00 9.78 ? 120 GLY A N 1 ATOM 867 C CA . GLY A 1 120 ? 31.649 5.948 13.777 1.00 8.99 ? 120 GLY A CA 1 ATOM 868 C C . GLY A 1 120 ? 30.707 7.152 13.826 1.00 10.55 ? 120 GLY A C 1 ATOM 869 O O . GLY A 1 120 ? 29.737 7.257 13.035 1.00 10.21 ? 120 GLY A O 1 ATOM 870 N N . LEU A 1 121 ? 31.061 8.120 14.666 1.00 9.94 ? 121 LEU A N 1 ATOM 871 C CA . LEU A 1 121 ? 30.252 9.328 14.788 1.00 9.87 ? 121 LEU A CA 1 ATOM 872 C C . LEU A 1 121 ? 31.140 10.540 14.695 1.00 9.59 ? 121 LEU A C 1 ATOM 873 O O . LEU A 1 121 ? 32.305 10.482 15.077 1.00 10.91 ? 121 LEU A O 1 ATOM 874 C CB . LEU A 1 121 ? 29.594 9.398 16.169 1.00 10.86 ? 121 LEU A CB 1 ATOM 875 C CG . LEU A 1 121 ? 28.320 8.579 16.387 1.00 13.28 ? 121 LEU A CG 1 ATOM 876 C CD1 . LEU A 1 121 ? 28.565 7.097 16.513 1.00 13.84 ? 121 LEU A CD1 1 ATOM 877 C CD2 . LEU A 1 121 ? 27.607 9.113 17.607 1.00 14.96 ? 121 LEU A CD2 1 ATOM 878 N N . LEU A 1 122 ? 30.621 11.602 14.095 1.00 8.20 ? 122 LEU A N 1 ATOM 879 C CA . LEU A 1 122 ? 31.338 12.855 14.011 1.00 8.43 ? 122 LEU A CA 1 ATOM 880 C C . LEU A 1 122 ? 30.559 13.877 14.870 1.00 9.07 ? 122 LEU A C 1 ATOM 881 O O . LEU A 1 122 ? 29.421 14.231 14.529 1.00 10.50 ? 122 LEU A O 1 ATOM 882 C CB . LEU A 1 122 ? 31.482 13.275 12.546 1.00 9.28 ? 122 LEU A CB 1 ATOM 883 C CG . LEU A 1 122 ? 32.310 14.548 12.306 1.00 9.65 ? 122 LEU A CG 1 ATOM 884 C CD1 . LEU A 1 122 ? 32.934 14.514 10.921 1.00 9.33 ? 122 LEU A CD1 1 ATOM 885 C CD2 . LEU A 1 122 ? 31.471 15.825 12.420 1.00 11.01 ? 122 LEU A CD2 1 ATOM 886 N N . GLY A 1 123 ? 31.141 14.298 15.999 1.00 8.56 ? 123 GLY A N 1 ATOM 887 C CA . GLY A 1 123 ? 30.478 15.221 16.927 1.00 8.30 ? 123 GLY A CA 1 ATOM 888 C C . GLY A 1 123 ? 30.465 16.665 16.473 1.00 8.93 ? 123 GLY A C 1 ATOM 889 O O . GLY A 1 123 ? 31.513 17.216 16.110 1.00 9.78 ? 123 GLY A O 1 ATOM 890 N N . LEU A 1 124 ? 29.331 17.328 16.686 1.00 7.63 ? 124 LEU A N 1 ATOM 891 C CA . LEU A 1 124 ? 29.192 18.723 16.316 1.00 7.63 ? 124 LEU A CA 1 ATOM 892 C C . LEU A 1 124 ? 28.664 19.578 17.458 1.00 7.87 ? 124 LEU A C 1 ATOM 893 O O . LEU A 1 124 ? 28.216 20.712 17.225 1.00 7.86 ? 124 LEU A O 1 ATOM 894 C CB . LEU A 1 124 ? 28.293 18.886 15.078 1.00 9.72 ? 124 LEU A CB 1 ATOM 895 C CG . LEU A 1 124 ? 28.907 18.324 13.788 1.00 12.30 ? 124 LEU A CG 1 ATOM 896 C CD1 . LEU A 1 124 ? 27.844 18.302 12.678 1.00 12.80 ? 124 LEU A CD1 1 ATOM 897 C CD2 . LEU A 1 124 ? 30.144 19.204 13.363 1.00 12.85 ? 124 LEU A CD2 1 ATOM 898 N N . ALA A 1 125 ? 28.700 19.039 18.677 1.00 6.75 ? 125 ALA A N 1 ATOM 899 C CA . ALA A 1 125 ? 28.362 19.831 19.866 1.00 8.06 ? 125 ALA A CA 1 ATOM 900 C C . ALA A 1 125 ? 29.580 20.736 20.146 1.00 8.66 ? 125 ALA A C 1 ATOM 901 O O . ALA A 1 125 ? 30.564 20.708 19.394 1.00 9.95 ? 125 ALA A O 1 ATOM 902 C CB . ALA A 1 125 ? 28.123 18.904 21.066 1.00 8.99 ? 125 ALA A CB 1 ATOM 903 N N . PHE A 1 126 ? 29.544 21.554 21.195 1.00 8.45 ? 126 PHE A N 1 ATOM 904 C CA . PHE A 1 126 ? 30.699 22.400 21.509 1.00 9.51 ? 126 PHE A CA 1 ATOM 905 C C . PHE A 1 126 ? 31.898 21.580 22.005 1.00 9.45 ? 126 PHE A C 1 ATOM 906 O O . PHE A 1 126 ? 31.740 20.575 22.688 1.00 9.31 ? 126 PHE A O 1 ATOM 907 C CB . PHE A 1 126 ? 30.338 23.495 22.495 1.00 9.53 ? 126 PHE A CB 1 ATOM 908 C CG . PHE A 1 126 ? 29.364 24.478 21.942 1.00 10.38 ? 126 PHE A CG 1 ATOM 909 C CD1 . PHE A 1 126 ? 28.021 24.190 21.915 1.00 11.14 ? 126 PHE A CD1 1 ATOM 910 C CD2 . PHE A 1 126 ? 29.808 25.656 21.376 1.00 12.12 ? 126 PHE A CD2 1 ATOM 911 C CE1 . PHE A 1 126 ? 27.129 25.079 21.358 1.00 11.90 ? 126 PHE A CE1 1 ATOM 912 C CE2 . PHE A 1 126 ? 28.931 26.547 20.820 1.00 12.59 ? 126 PHE A CE2 1 ATOM 913 C CZ . PHE A 1 126 ? 27.586 26.244 20.785 1.00 12.10 ? 126 PHE A CZ 1 ATOM 914 N N . SER A 1 127 ? 33.102 22.029 21.649 1.00 9.86 ? 127 SER A N 1 ATOM 915 C CA . SER A 1 127 ? 34.322 21.281 21.971 1.00 10.73 ? 127 SER A CA 1 ATOM 916 C C . SER A 1 127 ? 34.588 21.106 23.463 1.00 11.76 ? 127 SER A C 1 ATOM 917 O O . SER A 1 127 ? 35.349 20.211 23.862 1.00 11.70 ? 127 SER A O 1 ATOM 918 C CB . SER A 1 127 ? 35.547 21.918 21.295 1.00 11.30 ? 127 SER A CB 1 ATOM 919 O OG . SER A 1 127 ? 35.435 21.819 19.883 1.00 11.82 ? 127 SER A OG 1 ATOM 920 N N . SER A 1 128 ? 33.970 21.954 24.281 1.00 11.50 ? 128 SER A N 1 ATOM 921 C CA . SER A 1 128 ? 34.186 21.866 25.727 1.00 12.38 ? 128 SER A CA 1 ATOM 922 C C . SER A 1 128 ? 33.841 20.497 26.301 1.00 13.37 ? 128 SER A C 1 ATOM 923 O O . SER A 1 128 ? 34.296 20.148 27.392 1.00 15.37 ? 128 SER A O 1 ATOM 924 C CB . SER A 1 128 ? 33.427 22.966 26.464 1.00 13.58 ? 128 SER A CB 1 ATOM 925 O OG . SER A 1 128 ? 32.037 22.786 26.253 1.00 15.09 ? 128 SER A OG 1 ATOM 926 N N . ILE A 1 129 ? 33.008 19.728 25.606 1.00 10.92 ? 129 ILE A N 1 ATOM 927 C CA . ILE A 1 129 ? 32.641 18.404 26.091 1.00 10.58 ? 129 ILE A CA 1 ATOM 928 C C . ILE A 1 129 ? 33.331 17.249 25.364 1.00 10.61 ? 129 ILE A C 1 ATOM 929 O O . ILE A 1 129 ? 32.934 16.090 25.484 1.00 10.90 ? 129 ILE A O 1 ATOM 930 C CB . ILE A 1 129 ? 31.120 18.194 26.208 1.00 11.24 ? 129 ILE A CB 1 ATOM 931 C CG1 . ILE A 1 129 ? 30.414 18.341 24.848 1.00 11.65 ? 129 ILE A CG1 1 ATOM 932 C CG2 . ILE A 1 129 ? 30.546 19.193 27.201 1.00 12.54 ? 129 ILE A CG2 1 ATOM 933 C CD1 . ILE A 1 129 ? 28.938 17.870 24.890 1.00 11.16 ? 129 ILE A CD1 1 ATOM 934 N N . ASN A 1 130 ? 34.374 17.570 24.604 1.00 9.95 ? 130 ASN A N 1 ATOM 935 C CA . ASN A 1 130 ? 35.152 16.512 23.942 1.00 9.20 ? 130 ASN A CA 1 ATOM 936 C C . ASN A 1 130 ? 35.822 15.677 25.043 1.00 9.63 ? 130 ASN A C 1 ATOM 937 O O . ASN A 1 130 ? 36.331 16.260 26.014 1.00 10.56 ? 130 ASN A O 1 ATOM 938 C CB . ASN A 1 130 ? 36.203 17.149 23.025 1.00 9.59 ? 130 ASN A CB 1 ATOM 939 C CG . ASN A 1 130 ? 37.138 16.116 22.422 1.00 10.98 ? 130 ASN A CG 1 ATOM 940 O OD1 . ASN A 1 130 ? 38.183 15.819 23.012 1.00 11.66 ? 130 ASN A OD1 1 ATOM 941 N ND2 . ASN A 1 130 ? 36.674 15.416 21.361 1.00 10.64 ? 130 ASN A ND2 1 ATOM 942 N N . THR A 1 131 ? 35.820 14.348 24.905 1.00 8.89 ? 131 THR A N 1 ATOM 943 C CA . THR A 1 131 ? 36.333 13.455 25.941 1.00 9.58 ? 131 THR A CA 1 ATOM 944 C C . THR A 1 131 ? 37.828 13.128 25.939 1.00 11.53 ? 131 THR A C 1 ATOM 945 O O . THR A 1 131 ? 38.277 12.310 26.758 1.00 12.77 ? 131 THR A O 1 ATOM 946 C CB . THR A 1 131 ? 35.570 12.127 26.020 1.00 10.48 ? 131 THR A CB 1 ATOM 947 O OG1 . THR A 1 131 ? 35.983 11.272 24.968 1.00 10.88 ? 131 THR A OG1 1 ATOM 948 C CG2 . THR A 1 131 ? 34.012 12.346 25.946 1.00 10.84 ? 131 THR A CG2 1 ATOM 949 N N . VAL A 1 132 ? 38.593 13.661 24.992 1.00 11.08 ? 132 VAL A N 1 ATOM 950 C CA . VAL A 1 132 ? 40.015 13.298 24.932 1.00 10.91 ? 132 VAL A CA 1 ATOM 951 C C . VAL A 1 132 ? 40.758 13.744 26.204 1.00 10.67 ? 132 VAL A C 1 ATOM 952 O O . VAL A 1 132 ? 40.556 14.860 26.655 1.00 11.04 ? 132 VAL A O 1 ATOM 953 C CB . VAL A 1 132 ? 40.651 13.875 23.661 1.00 11.00 ? 132 VAL A CB 1 ATOM 954 C CG1 . VAL A 1 132 ? 42.166 13.642 23.678 1.00 11.19 ? 132 VAL A CG1 1 ATOM 955 C CG2 . VAL A 1 132 ? 40.047 13.168 22.417 1.00 10.10 ? 132 VAL A CG2 1 ATOM 956 N N . GLN A 1 133 ? 41.656 12.894 26.713 1.00 11.32 ? 133 GLN A N 1 ATOM 957 C CA . GLN A 1 133 ? 42.427 13.144 27.936 1.00 14.60 ? 133 GLN A CA 1 ATOM 958 C C . GLN A 1 133 ? 43.889 12.959 27.550 1.00 13.03 ? 133 GLN A C 1 ATOM 959 O O . GLN A 1 133 ? 44.199 12.046 26.786 1.00 11.91 ? 133 GLN A O 1 ATOM 960 C CB . GLN A 1 133 ? 42.231 11.957 28.888 1.00 20.27 ? 133 GLN A CB 1 ATOM 961 C CG . GLN A 1 133 ? 40.844 11.647 29.357 1.00 26.52 ? 133 GLN A CG 1 ATOM 962 C CD . GLN A 1 133 ? 40.378 12.583 30.451 1.00 31.73 ? 133 GLN A CD 1 ATOM 963 O OE1 . GLN A 1 133 ? 40.665 13.796 30.444 1.00 33.29 ? 133 GLN A OE1 1 ATOM 964 N NE2 . GLN A 1 133 ? 39.789 11.993 31.489 1.00 34.13 ? 133 GLN A NE2 1 ATOM 965 N N . PRO A 1 134 ? 44.808 13.693 28.168 1.00 12.19 ? 134 PRO A N 1 ATOM 966 C CA . PRO A 1 134 ? 44.564 14.684 29.208 1.00 12.76 ? 134 PRO A CA 1 ATOM 967 C C . PRO A 1 134 ? 44.070 16.052 28.803 1.00 15.04 ? 134 PRO A C 1 ATOM 968 O O . PRO A 1 134 ? 43.726 16.862 29.668 1.00 15.93 ? 134 PRO A O 1 ATOM 969 C CB . PRO A 1 134 ? 45.951 14.846 29.847 1.00 12.94 ? 134 PRO A CB 1 ATOM 970 C CG . PRO A 1 134 ? 46.896 14.563 28.743 1.00 13.18 ? 134 PRO A CG 1 ATOM 971 C CD . PRO A 1 134 ? 46.246 13.377 28.029 1.00 12.10 ? 134 PRO A CD 1 ATOM 972 N N . GLN A 1 135 ? 44.067 16.342 27.509 1.00 15.07 ? 135 GLN A N 1 ATOM 973 C CA . GLN A 1 135 ? 43.630 17.651 27.044 1.00 16.43 ? 135 GLN A CA 1 ATOM 974 C C . GLN A 1 135 ? 42.679 17.403 25.902 1.00 16.15 ? 135 GLN A C 1 ATOM 975 O O . GLN A 1 135 ? 42.996 16.635 24.972 1.00 16.18 ? 135 GLN A O 1 ATOM 976 C CB . GLN A 1 135 ? 44.825 18.468 26.540 1.00 18.98 ? 135 GLN A CB 1 ATOM 977 C CG . GLN A 1 135 ? 45.857 18.757 27.625 1.00 20.86 ? 135 GLN A CG 1 ATOM 978 C CD . GLN A 1 135 ? 46.898 19.768 27.178 1.00 23.73 ? 135 GLN A CD 1 ATOM 979 O OE1 . GLN A 1 135 ? 47.305 20.628 27.948 1.00 24.32 ? 135 GLN A OE1 1 ATOM 980 N NE2 . GLN A 1 135 ? 47.345 19.658 25.934 1.00 25.01 ? 135 GLN A NE2 1 ATOM 981 N N . SER A 1 136 ? 41.491 17.996 26.014 1.00 14.26 ? 136 SER A N 1 ATOM 982 C CA . SER A 1 136 ? 40.439 17.813 25.031 1.00 14.38 ? 136 SER A CA 1 ATOM 983 C C . SER A 1 136 ? 40.809 18.445 23.690 1.00 14.24 ? 136 SER A C 1 ATOM 984 O O . SER A 1 136 ? 41.651 19.359 23.632 1.00 14.17 ? 136 SER A O 1 ATOM 985 C CB . SER A 1 136 ? 39.153 18.419 25.547 1.00 15.80 ? 136 SER A CB 1 ATOM 986 O OG . SER A 1 136 ? 39.364 19.789 25.786 1.00 17.57 ? 136 SER A OG 1 ATOM 987 N N . GLN A 1 137 ? 40.219 17.902 22.618 1.00 11.92 ? 137 GLN A N 1 ATOM 988 C CA . GLN A 1 137 ? 40.495 18.338 21.255 1.00 12.32 ? 137 GLN A CA 1 ATOM 989 C C . GLN A 1 137 ? 39.302 19.065 20.661 1.00 13.16 ? 137 GLN A C 1 ATOM 990 O O . GLN A 1 137 ? 38.204 18.963 21.194 1.00 13.73 ? 137 GLN A O 1 ATOM 991 C CB . GLN A 1 137 ? 40.800 17.092 20.424 1.00 12.40 ? 137 GLN A CB 1 ATOM 992 C CG . GLN A 1 137 ? 41.979 16.269 21.031 1.00 13.23 ? 137 GLN A CG 1 ATOM 993 C CD . GLN A 1 137 ? 43.295 17.052 21.013 1.00 15.74 ? 137 GLN A CD 1 ATOM 994 O OE1 . GLN A 1 137 ? 43.702 17.587 19.988 1.00 16.53 ? 137 GLN A OE1 1 ATOM 995 N NE2 . GLN A 1 137 ? 43.958 17.123 22.166 1.00 16.93 ? 137 GLN A NE2 1 ATOM 996 N N . THR A 1 138 ? 39.498 19.780 19.557 1.00 12.47 ? 138 THR A N 1 ATOM 997 C CA . THR A 1 138 ? 38.385 20.488 18.917 1.00 11.59 ? 138 THR A CA 1 ATOM 998 C C . THR A 1 138 ? 37.633 19.621 17.900 1.00 10.53 ? 138 THR A C 1 ATOM 999 O O . THR A 1 138 ? 38.227 18.776 17.223 1.00 10.85 ? 138 THR A O 1 ATOM 1000 C CB . THR A 1 138 ? 38.875 21.767 18.205 1.00 13.22 ? 138 THR A CB 1 ATOM 1001 O OG1 . THR A 1 138 ? 39.943 21.431 17.313 1.00 13.57 ? 138 THR A OG1 1 ATOM 1002 C CG2 . THR A 1 138 ? 39.384 22.766 19.191 1.00 13.80 ? 138 THR A CG2 1 ATOM 1003 N N . THR A 1 139 ? 36.321 19.830 17.798 1.00 9.18 ? 139 THR A N 1 ATOM 1004 C CA . THR A 1 139 ? 35.493 19.104 16.831 1.00 8.97 ? 139 THR A CA 1 ATOM 1005 C C . THR A 1 139 ? 35.910 19.581 15.412 1.00 9.30 ? 139 THR A C 1 ATOM 1006 O O . THR A 1 139 ? 36.572 20.628 15.240 1.00 8.99 ? 139 THR A O 1 ATOM 1007 C CB . THR A 1 139 ? 34.003 19.533 17.003 1.00 9.59 ? 139 THR A CB 1 ATOM 1008 O OG1 . THR A 1 139 ? 33.893 20.954 16.722 1.00 9.25 ? 139 THR A OG1 1 ATOM 1009 C CG2 . THR A 1 139 ? 33.538 19.237 18.465 1.00 9.10 ? 139 THR A CG2 1 ATOM 1010 N N . PHE A 1 140 ? 35.484 18.825 14.399 1.00 9.32 ? 140 PHE A N 1 ATOM 1011 C CA . PHE A 1 140 ? 35.785 19.185 13.028 1.00 9.92 ? 140 PHE A CA 1 ATOM 1012 C C . PHE A 1 140 ? 35.300 20.599 12.761 1.00 9.78 ? 140 PHE A C 1 ATOM 1013 O O . PHE A 1 140 ? 36.016 21.402 12.130 1.00 9.82 ? 140 PHE A O 1 ATOM 1014 C CB . PHE A 1 140 ? 35.078 18.198 12.085 1.00 11.49 ? 140 PHE A CB 1 ATOM 1015 C CG . PHE A 1 140 ? 35.098 18.619 10.645 1.00 12.69 ? 140 PHE A CG 1 ATOM 1016 C CD1 . PHE A 1 140 ? 36.175 18.306 9.837 1.00 13.05 ? 140 PHE A CD1 1 ATOM 1017 C CD2 . PHE A 1 140 ? 34.026 19.303 10.094 1.00 13.46 ? 140 PHE A CD2 1 ATOM 1018 C CE1 . PHE A 1 140 ? 36.184 18.684 8.497 1.00 13.52 ? 140 PHE A CE1 1 ATOM 1019 C CE2 . PHE A 1 140 ? 34.038 19.723 8.747 1.00 14.13 ? 140 PHE A CE2 1 ATOM 1020 C CZ . PHE A 1 140 ? 35.118 19.410 7.959 1.00 13.80 ? 140 PHE A CZ 1 ATOM 1021 N N . PHE A 1 141 ? 34.093 20.930 13.229 1.00 9.45 ? 141 PHE A N 1 ATOM 1022 C CA . PHE A 1 141 ? 33.598 22.271 12.984 1.00 9.72 ? 141 PHE A CA 1 ATOM 1023 C C . PHE A 1 141 ? 34.454 23.357 13.635 1.00 10.17 ? 141 PHE A C 1 ATOM 1024 O O . PHE A 1 141 ? 34.732 24.378 13.020 1.00 10.77 ? 141 PHE A O 1 ATOM 1025 C CB . PHE A 1 141 ? 32.129 22.398 13.407 1.00 10.65 ? 141 PHE A CB 1 ATOM 1026 C CG . PHE A 1 141 ? 31.597 23.797 13.321 1.00 11.57 ? 141 PHE A CG 1 ATOM 1027 C CD1 . PHE A 1 141 ? 31.359 24.384 12.086 1.00 12.16 ? 141 PHE A CD1 1 ATOM 1028 C CD2 . PHE A 1 141 ? 31.277 24.502 14.470 1.00 12.26 ? 141 PHE A CD2 1 ATOM 1029 C CE1 . PHE A 1 141 ? 30.862 25.684 12.021 1.00 12.68 ? 141 PHE A CE1 1 ATOM 1030 C CE2 . PHE A 1 141 ? 30.774 25.791 14.405 1.00 12.28 ? 141 PHE A CE2 1 ATOM 1031 C CZ . PHE A 1 141 ? 30.563 26.379 13.179 1.00 12.75 ? 141 PHE A CZ 1 ATOM 1032 N N . ASP A 1 142 ? 34.860 23.160 14.882 1.00 10.72 ? 142 ASP A N 1 ATOM 1033 C CA . ASP A 1 142 ? 35.708 24.152 15.546 1.00 11.05 ? 142 ASP A CA 1 ATOM 1034 C C . ASP A 1 142 ? 37.096 24.253 14.894 1.00 11.38 ? 142 ASP A C 1 ATOM 1035 O O . ASP A 1 142 ? 37.730 25.344 14.871 1.00 12.62 ? 142 ASP A O 1 ATOM 1036 C CB . ASP A 1 142 ? 35.816 23.875 17.058 1.00 13.78 ? 142 ASP A CB 1 ATOM 1037 C CG . ASP A 1 142 ? 34.634 24.427 17.839 1.00 17.34 ? 142 ASP A CG 1 ATOM 1038 O OD1 . ASP A 1 142 ? 34.034 25.429 17.386 1.00 19.56 ? 142 ASP A OD1 1 ATOM 1039 O OD2 . ASP A 1 142 ? 34.294 23.881 18.907 1.00 18.05 ? 142 ASP A OD2 1 ATOM 1040 N N . THR A 1 143 ? 37.579 23.131 14.361 1.00 9.69 ? 143 THR A N 1 ATOM 1041 C CA . THR A 1 143 ? 38.872 23.149 13.712 1.00 11.07 ? 143 THR A CA 1 ATOM 1042 C C . THR A 1 143 ? 38.846 24.010 12.449 1.00 12.69 ? 143 THR A C 1 ATOM 1043 O O . THR A 1 143 ? 39.778 24.752 12.176 1.00 13.86 ? 143 THR A O 1 ATOM 1044 C CB . THR A 1 143 ? 39.300 21.727 13.335 1.00 11.97 ? 143 THR A CB 1 ATOM 1045 O OG1 . THR A 1 143 ? 39.399 20.932 14.528 1.00 12.41 ? 143 THR A OG1 1 ATOM 1046 C CG2 . THR A 1 143 ? 40.670 21.753 12.619 1.00 12.84 ? 143 THR A CG2 1 ATOM 1047 N N . VAL A 1 144 ? 37.788 23.882 11.646 1.00 12.60 ? 144 VAL A N 1 ATOM 1048 C CA . VAL A 1 144 ? 37.697 24.628 10.384 1.00 12.71 ? 144 VAL A CA 1 ATOM 1049 C C . VAL A 1 144 ? 36.983 25.966 10.407 1.00 13.82 ? 144 VAL A C 1 ATOM 1050 O O . VAL A 1 144 ? 37.074 26.730 9.443 1.00 14.06 ? 144 VAL A O 1 ATOM 1051 C CB . VAL A 1 144 ? 37.051 23.768 9.283 1.00 12.94 ? 144 VAL A CB 1 ATOM 1052 C CG1 . VAL A 1 144 ? 37.810 22.453 9.125 1.00 13.39 ? 144 VAL A CG1 1 ATOM 1053 C CG2 . VAL A 1 144 ? 35.552 23.501 9.581 1.00 11.89 ? 144 VAL A CG2 1 ATOM 1054 N N . LYS A 1 145 ? 36.231 26.245 11.475 1.00 14.72 ? 145 LYS A N 1 ATOM 1055 C CA . LYS A 1 145 ? 35.372 27.415 11.473 1.00 15.85 ? 145 LYS A CA 1 ATOM 1056 C C . LYS A 1 145 ? 35.975 28.747 11.100 1.00 16.87 ? 145 LYS A C 1 ATOM 1057 O O . LYS A 1 145 ? 35.298 29.569 10.474 1.00 17.65 ? 145 LYS A O 1 ATOM 1058 C CB . LYS A 1 145 ? 34.455 27.529 12.692 1.00 17.85 ? 145 LYS A CB 1 ATOM 1059 C CG . LYS A 1 145 ? 35.135 27.983 13.947 1.00 19.19 ? 145 LYS A CG 1 ATOM 1060 C CD . LYS A 1 145 ? 34.106 28.189 15.064 1.00 20.15 ? 145 LYS A CD 1 ATOM 1061 C CE . LYS A 1 145 ? 34.774 28.462 16.406 1.00 20.26 ? 145 LYS A CE 1 ATOM 1062 N NZ A LYS A 1 145 ? 35.529 27.304 16.943 0.56 20.35 ? 145 LYS A NZ 1 ATOM 1063 N NZ B LYS A 1 145 ? 33.877 28.024 17.513 0.44 20.34 ? 145 LYS A NZ 1 ATOM 1064 N N . SER A 1 146 ? 37.226 28.983 11.461 1.00 18.03 ? 146 SER A N 1 ATOM 1065 C CA . SER A 1 146 ? 37.808 30.275 11.111 1.00 20.11 ? 146 SER A CA 1 ATOM 1066 C C . SER A 1 146 ? 38.051 30.372 9.601 1.00 19.52 ? 146 SER A C 1 ATOM 1067 O O . SER A 1 146 ? 38.193 31.476 9.089 1.00 20.71 ? 146 SER A O 1 ATOM 1068 C CB . SER A 1 146 ? 39.085 30.575 11.913 1.00 22.34 ? 146 SER A CB 1 ATOM 1069 O OG . SER A 1 146 ? 40.169 29.738 11.517 1.00 24.64 ? 146 SER A OG 1 ATOM 1070 N N . SER A 1 147 ? 38.117 29.234 8.901 1.00 17.50 ? 147 SER A N 1 ATOM 1071 C CA . SER A 1 147 ? 38.311 29.249 7.446 1.00 17.40 ? 147 SER A CA 1 ATOM 1072 C C . SER A 1 147 ? 37.012 29.355 6.626 1.00 15.56 ? 147 SER A C 1 ATOM 1073 O O . SER A 1 147 ? 37.044 29.601 5.442 1.00 16.23 ? 147 SER A O 1 ATOM 1074 C CB . SER A 1 147 ? 39.084 28.019 6.963 1.00 17.96 ? 147 SER A CB 1 ATOM 1075 O OG A SER A 1 147 ? 38.261 26.866 7.018 0.48 18.11 ? 147 SER A OG 1 ATOM 1076 O OG B SER A 1 147 ? 40.329 27.931 7.629 0.52 18.08 ? 147 SER A OG 1 ATOM 1077 N N . LEU A 1 148 ? 35.881 29.047 7.227 1.00 13.47 ? 148 LEU A N 1 ATOM 1078 C CA . LEU A 1 148 ? 34.621 29.073 6.500 1.00 12.37 ? 148 LEU A CA 1 ATOM 1079 C C . LEU A 1 148 ? 34.229 30.499 6.188 1.00 13.04 ? 148 LEU A C 1 ATOM 1080 O O . LEU A 1 148 ? 34.663 31.437 6.853 1.00 14.38 ? 148 LEU A O 1 ATOM 1081 C CB . LEU A 1 148 ? 33.522 28.432 7.342 1.00 10.78 ? 148 LEU A CB 1 ATOM 1082 C CG . LEU A 1 148 ? 33.791 26.983 7.689 1.00 11.80 ? 148 LEU A CG 1 ATOM 1083 C CD1 . LEU A 1 148 ? 32.682 26.516 8.621 1.00 12.45 ? 148 LEU A CD1 1 ATOM 1084 C CD2 . LEU A 1 148 ? 33.766 26.129 6.411 1.00 12.48 ? 148 LEU A CD2 1 ATOM 1085 N N . ALA A 1 149 ? 33.364 30.660 5.208 1.00 13.17 ? 149 ALA A N 1 ATOM 1086 C CA . ALA A 1 149 ? 32.904 31.992 4.862 1.00 14.88 ? 149 ALA A CA 1 ATOM 1087 C C . ALA A 1 149 ? 32.107 32.598 6.025 1.00 15.53 ? 149 ALA A C 1 ATOM 1088 O O . ALA A 1 149 ? 32.211 33.790 6.314 1.00 16.56 ? 149 ALA A O 1 ATOM 1089 C CB . ALA A 1 149 ? 32.073 31.928 3.576 1.00 16.04 ? 149 ALA A CB 1 ATOM 1090 N N . GLN A 1 150 ? 31.344 31.769 6.730 1.00 14.55 ? 150 GLN A N 1 ATOM 1091 C CA . GLN A 1 150 ? 30.604 32.214 7.911 1.00 14.21 ? 150 GLN A CA 1 ATOM 1092 C C . GLN A 1 150 ? 30.736 31.047 8.850 1.00 11.56 ? 150 GLN A C 1 ATOM 1093 O O . GLN A 1 150 ? 30.687 29.929 8.425 1.00 9.99 ? 150 GLN A O 1 ATOM 1094 C CB . GLN A 1 150 ? 29.141 32.429 7.586 1.00 18.53 ? 150 GLN A CB 1 ATOM 1095 C CG . GLN A 1 150 ? 28.931 33.545 6.606 1.00 23.83 ? 150 GLN A CG 1 ATOM 1096 C CD . GLN A 1 150 ? 27.482 33.738 6.300 1.00 29.11 ? 150 GLN A CD 1 ATOM 1097 O OE1 . GLN A 1 150 ? 26.886 34.726 6.734 1.00 32.21 ? 150 GLN A OE1 1 ATOM 1098 N NE2 . GLN A 1 150 ? 26.899 32.825 5.518 1.00 30.12 ? 150 GLN A NE2 1 ATOM 1099 N N . PRO A 1 151 ? 30.992 31.329 10.113 1.00 11.99 ? 151 PRO A N 1 ATOM 1100 C CA . PRO A 1 151 ? 31.246 30.300 11.123 1.00 11.32 ? 151 PRO A CA 1 ATOM 1101 C C . PRO A 1 151 ? 29.968 29.584 11.594 1.00 10.75 ? 151 PRO A C 1 ATOM 1102 O O . PRO A 1 151 ? 29.544 29.745 12.734 1.00 11.14 ? 151 PRO A O 1 ATOM 1103 C CB . PRO A 1 151 ? 31.883 31.102 12.259 1.00 11.98 ? 151 PRO A CB 1 ATOM 1104 C CG . PRO A 1 151 ? 31.234 32.423 12.183 1.00 11.75 ? 151 PRO A CG 1 ATOM 1105 C CD . PRO A 1 151 ? 31.070 32.689 10.678 1.00 12.10 ? 151 PRO A CD 1 ATOM 1106 N N . LEU A 1 152 ? 29.354 28.835 10.694 1.00 9.18 ? 152 LEU A N 1 ATOM 1107 C CA . LEU A 1 152 ? 28.108 28.174 11.003 1.00 9.79 ? 152 LEU A CA 1 ATOM 1108 C C . LEU A 1 152 ? 27.958 26.963 10.096 1.00 9.82 ? 152 LEU A C 1 ATOM 1109 O O . LEU A 1 152 ? 28.684 26.818 9.111 1.00 9.31 ? 152 LEU A O 1 ATOM 1110 C CB . LEU A 1 152 ? 26.943 29.148 10.736 1.00 10.81 ? 152 LEU A CB 1 ATOM 1111 C CG . LEU A 1 152 ? 26.771 29.731 9.316 1.00 11.72 ? 152 LEU A CG 1 ATOM 1112 C CD1 . LEU A 1 152 ? 26.138 28.727 8.343 1.00 12.16 ? 152 LEU A CD1 1 ATOM 1113 C CD2 . LEU A 1 152 ? 26.018 31.054 9.339 1.00 12.07 ? 152 LEU A CD2 1 ATOM 1114 N N . PHE A 1 153 ? 27.016 26.096 10.452 1.00 9.32 ? 153 PHE A N 1 ATOM 1115 C CA . PHE A 1 153 ? 26.635 24.978 9.612 1.00 9.19 ? 153 PHE A CA 1 ATOM 1116 C C . PHE A 1 153 ? 25.107 24.913 9.709 1.00 10.46 ? 153 PHE A C 1 ATOM 1117 O O . PHE A 1 153 ? 24.515 25.510 10.623 1.00 11.09 ? 153 PHE A O 1 ATOM 1118 C CB . PHE A 1 153 ? 27.312 23.661 9.965 1.00 10.01 ? 153 PHE A CB 1 ATOM 1119 C CG . PHE A 1 153 ? 26.992 23.140 11.345 1.00 11.10 ? 153 PHE A CG 1 ATOM 1120 C CD1 . PHE A 1 153 ? 27.767 23.519 12.449 1.00 11.49 ? 153 PHE A CD1 1 ATOM 1121 C CD2 . PHE A 1 153 ? 25.964 22.215 11.530 1.00 11.29 ? 153 PHE A CD2 1 ATOM 1122 C CE1 . PHE A 1 153 ? 27.499 23.009 13.726 1.00 11.50 ? 153 PHE A CE1 1 ATOM 1123 C CE2 . PHE A 1 153 ? 25.710 21.696 12.802 1.00 11.75 ? 153 PHE A CE2 1 ATOM 1124 C CZ . PHE A 1 153 ? 26.468 22.114 13.899 1.00 11.58 ? 153 PHE A CZ 1 ATOM 1125 N N . ALA A 1 154 ? 24.468 24.258 8.749 1.00 9.51 ? 154 ALA A N 1 ATOM 1126 C CA . ALA A 1 154 ? 22.998 24.207 8.744 1.00 10.22 ? 154 ALA A CA 1 ATOM 1127 C C . ALA A 1 154 ? 22.599 22.834 8.299 1.00 10.64 ? 154 ALA A C 1 ATOM 1128 O O . ALA A 1 154 ? 23.366 22.140 7.600 1.00 11.16 ? 154 ALA A O 1 ATOM 1129 C CB . ALA A 1 154 ? 22.421 25.273 7.805 1.00 10.91 ? 154 ALA A CB 1 ATOM 1130 N N . VAL A 1 155 ? 21.416 22.400 8.724 1.00 9.90 ? 155 VAL A N 1 ATOM 1131 C CA . VAL A 1 155 ? 21.009 21.042 8.394 1.00 10.89 ? 155 VAL A CA 1 ATOM 1132 C C . VAL A 1 155 ? 19.555 20.889 7.988 1.00 10.47 ? 155 VAL A C 1 ATOM 1133 O O . VAL A 1 155 ? 18.670 21.551 8.515 1.00 10.04 ? 155 VAL A O 1 ATOM 1134 C CB . VAL A 1 155 ? 21.372 20.063 9.551 1.00 14.33 ? 155 VAL A CB 1 ATOM 1135 C CG1 . VAL A 1 155 ? 20.873 20.551 10.789 1.00 16.17 ? 155 VAL A CG1 1 ATOM 1136 C CG2 . VAL A 1 155 ? 20.798 18.690 9.337 1.00 15.41 ? 155 VAL A CG2 1 ATOM 1137 N N . ALA A 1 156 ? 19.351 20.028 6.998 1.00 10.01 ? 156 ALA A N 1 ATOM 1138 C CA . ALA A 1 156 ? 18.041 19.662 6.513 1.00 10.17 ? 156 ALA A CA 1 ATOM 1139 C C . ALA A 1 156 ? 18.055 18.142 6.460 1.00 10.74 ? 156 ALA A C 1 ATOM 1140 O O . ALA A 1 156 ? 18.698 17.535 5.598 1.00 11.16 ? 156 ALA A O 1 ATOM 1141 C CB . ALA A 1 156 ? 17.806 20.223 5.092 1.00 10.54 ? 156 ALA A CB 1 ATOM 1142 N N . LEU A 1 157 ? 17.390 17.528 7.432 1.00 10.47 ? 157 LEU A N 1 ATOM 1143 C CA . LEU A 1 157 ? 17.203 16.077 7.492 1.00 10.33 ? 157 LEU A CA 1 ATOM 1144 C C . LEU A 1 157 ? 15.834 15.843 6.897 1.00 11.34 ? 157 LEU A C 1 ATOM 1145 O O . LEU A 1 157 ? 14.911 16.622 7.135 1.00 10.98 ? 157 LEU A O 1 ATOM 1146 C CB . LEU A 1 157 ? 17.238 15.570 8.936 1.00 10.38 ? 157 LEU A CB 1 ATOM 1147 C CG . LEU A 1 157 ? 18.478 15.872 9.770 1.00 12.07 ? 157 LEU A CG 1 ATOM 1148 C CD1 . LEU A 1 157 ? 18.364 15.144 11.124 1.00 13.78 ? 157 LEU A CD1 1 ATOM 1149 C CD2 . LEU A 1 157 ? 19.771 15.414 9.061 1.00 12.31 ? 157 LEU A CD2 1 ATOM 1150 N N . LYS A 1 158 ? 15.672 14.756 6.160 1.00 11.43 ? 158 LYS A N 1 ATOM 1151 C CA . LYS A 1 158 ? 14.391 14.520 5.520 1.00 12.45 ? 158 LYS A CA 1 ATOM 1152 C C . LYS A 1 158 ? 13.892 13.126 5.700 1.00 12.02 ? 158 LYS A C 1 ATOM 1153 O O . LYS A 1 158 ? 14.593 12.248 6.198 1.00 12.37 ? 158 LYS A O 1 ATOM 1154 C CB . LYS A 1 158 ? 14.481 14.815 4.032 1.00 14.04 ? 158 LYS A CB 1 ATOM 1155 C CG . LYS A 1 158 ? 14.828 16.274 3.723 1.00 16.82 ? 158 LYS A CG 1 ATOM 1156 C CD . LYS A 1 158 ? 14.827 16.503 2.215 1.00 20.42 ? 158 LYS A CD 1 ATOM 1157 C CE . LYS A 1 158 ? 15.062 17.962 1.859 1.00 23.50 ? 158 LYS A CE 1 ATOM 1158 N NZ . LYS A 1 158 ? 13.928 18.826 2.313 1.00 25.40 ? 158 LYS A NZ 1 ATOM 1159 N N . HIS A 1 159 ? 12.603 12.954 5.426 1.00 12.45 ? 159 HIS A N 1 ATOM 1160 C CA . HIS A 1 159 ? 12.006 11.650 5.591 1.00 12.77 ? 159 HIS A CA 1 ATOM 1161 C C . HIS A 1 159 ? 12.236 10.798 4.355 1.00 13.27 ? 159 HIS A C 1 ATOM 1162 O O . HIS A 1 159 ? 11.741 11.134 3.270 1.00 12.89 ? 159 HIS A O 1 ATOM 1163 C CB . HIS A 1 159 ? 10.492 11.776 5.950 1.00 13.84 ? 159 HIS A CB 1 ATOM 1164 C CG . HIS A 1 159 ? 9.798 10.459 6.067 1.00 15.18 ? 159 HIS A CG 1 ATOM 1165 N ND1 . HIS A 1 159 ? 10.254 9.449 6.883 1.00 16.38 ? 159 HIS A ND1 1 ATOM 1166 C CD2 . HIS A 1 159 ? 8.662 9.995 5.492 1.00 17.16 ? 159 HIS A CD2 1 ATOM 1167 C CE1 . HIS A 1 159 ? 9.458 8.398 6.769 1.00 17.87 ? 159 HIS A CE1 1 ATOM 1168 N NE2 . HIS A 1 159 ? 8.489 8.700 5.919 1.00 17.96 ? 159 HIS A NE2 1 ATOM 1169 N N . GLN A 1 160 ? 13.010 9.722 4.516 1.00 14.49 ? 160 GLN A N 1 ATOM 1170 C CA . GLN A 1 160 ? 13.265 8.806 3.413 1.00 17.02 ? 160 GLN A CA 1 ATOM 1171 C C . GLN A 1 160 ? 13.704 9.507 2.122 1.00 16.87 ? 160 GLN A C 1 ATOM 1172 O O . GLN A 1 160 ? 13.266 9.147 1.017 1.00 16.16 ? 160 GLN A O 1 ATOM 1173 C CB . GLN A 1 160 ? 12.041 7.935 3.136 1.00 21.88 ? 160 GLN A CB 1 ATOM 1174 C CG . GLN A 1 160 ? 11.584 7.135 4.309 1.00 27.59 ? 160 GLN A CG 1 ATOM 1175 C CD . GLN A 1 160 ? 10.265 6.382 4.020 1.00 33.96 ? 160 GLN A CD 1 ATOM 1176 O OE1 . GLN A 1 160 ? 9.854 5.478 4.783 1.00 36.83 ? 160 GLN A OE1 1 ATOM 1177 N NE2 . GLN A 1 160 ? 9.591 6.760 2.920 1.00 35.39 ? 160 GLN A NE2 1 ATOM 1178 N N . GLN A 1 161 ? 14.592 10.488 2.252 1.00 15.42 ? 161 GLN A N 1 ATOM 1179 C CA . GLN A 1 161 ? 15.129 11.197 1.104 1.00 16.52 ? 161 GLN A CA 1 ATOM 1180 C C . GLN A 1 161 ? 16.483 11.722 1.551 1.00 15.42 ? 161 GLN A C 1 ATOM 1181 O O . GLN A 1 161 ? 16.691 11.974 2.739 1.00 13.16 ? 161 GLN A O 1 ATOM 1182 C CB . GLN A 1 161 ? 14.305 12.443 0.798 1.00 20.32 ? 161 GLN A CB 1 ATOM 1183 C CG . GLN A 1 161 ? 12.865 12.239 0.383 1.00 25.33 ? 161 GLN A CG 1 ATOM 1184 C CD . GLN A 1 161 ? 12.179 13.581 0.141 1.00 29.35 ? 161 GLN A CD 1 ATOM 1185 O OE1 . GLN A 1 161 ? 12.671 14.413 -0.625 1.00 31.00 ? 161 GLN A OE1 1 ATOM 1186 N NE2 . GLN A 1 161 ? 11.190 13.882 0.972 1.00 31.03 ? 161 GLN A NE2 1 ATOM 1187 N N . PRO A 1 162 ? 17.379 11.960 0.598 1.00 15.26 ? 162 PRO A N 1 ATOM 1188 C CA . PRO A 1 162 ? 18.689 12.496 0.952 1.00 14.64 ? 162 PRO A CA 1 ATOM 1189 C C . PRO A 1 162 ? 18.517 13.930 1.450 1.00 12.89 ? 162 PRO A C 1 ATOM 1190 O O . PRO A 1 162 ? 17.644 14.667 0.979 1.00 12.69 ? 162 PRO A O 1 ATOM 1191 C CB . PRO A 1 162 ? 19.459 12.462 -0.382 1.00 16.24 ? 162 PRO A CB 1 ATOM 1192 C CG . PRO A 1 162 ? 18.829 11.309 -1.128 1.00 16.52 ? 162 PRO A CG 1 ATOM 1193 C CD . PRO A 1 162 ? 17.351 11.426 -0.781 1.00 15.65 ? 162 PRO A CD 1 ATOM 1194 N N . GLY A 1 163 ? 19.400 14.337 2.356 1.00 10.84 ? 163 GLY A N 1 ATOM 1195 C CA . GLY A 1 163 ? 19.338 15.672 2.920 1.00 10.42 ? 163 GLY A CA 1 ATOM 1196 C C . GLY A 1 163 ? 20.725 16.281 2.863 1.00 10.39 ? 163 GLY A C 1 ATOM 1197 O O . GLY A 1 163 ? 21.601 15.767 2.180 1.00 10.59 ? 163 GLY A O 1 ATOM 1198 N N . VAL A 1 164 ? 20.921 17.398 3.527 1.00 9.95 ? 164 VAL A N 1 ATOM 1199 C CA . VAL A 1 164 ? 22.216 18.004 3.464 1.00 11.51 ? 164 VAL A CA 1 ATOM 1200 C C . VAL A 1 164 ? 22.646 18.593 4.795 1.00 11.64 ? 164 VAL A C 1 ATOM 1201 O O . VAL A 1 164 ? 21.809 18.923 5.651 1.00 11.13 ? 164 VAL A O 1 ATOM 1202 C CB . VAL A 1 164 ? 22.247 19.205 2.432 1.00 12.85 ? 164 VAL A CB 1 ATOM 1203 C CG1 . VAL A 1 164 ? 21.900 18.759 1.022 1.00 13.41 ? 164 VAL A CG1 1 ATOM 1204 C CG2 . VAL A 1 164 ? 21.379 20.375 2.891 1.00 12.89 ? 164 VAL A CG2 1 ATOM 1205 N N . TYR A 1 165 ? 23.964 18.812 4.880 1.00 11.00 ? 165 TYR A N 1 ATOM 1206 C CA . TYR A 1 165 ? 24.610 19.578 5.948 1.00 11.56 ? 165 TYR A CA 1 ATOM 1207 C C . TYR A 1 165 ? 25.369 20.648 5.189 1.00 11.63 ? 165 TYR A C 1 ATOM 1208 O O . TYR A 1 165 ? 26.268 20.319 4.419 1.00 12.06 ? 165 TYR A O 1 ATOM 1209 C CB . TYR A 1 165 ? 25.659 18.755 6.701 1.00 12.57 ? 165 TYR A CB 1 ATOM 1210 C CG . TYR A 1 165 ? 25.094 17.953 7.829 1.00 12.47 ? 165 TYR A CG 1 ATOM 1211 C CD1 . TYR A 1 165 ? 24.884 18.550 9.053 1.00 13.47 ? 165 TYR A CD1 1 ATOM 1212 C CD2 . TYR A 1 165 ? 24.835 16.608 7.696 1.00 13.37 ? 165 TYR A CD2 1 ATOM 1213 C CE1 . TYR A 1 165 ? 24.370 17.842 10.106 1.00 15.02 ? 165 TYR A CE1 1 ATOM 1214 C CE2 . TYR A 1 165 ? 24.253 15.878 8.742 1.00 14.08 ? 165 TYR A CE2 1 ATOM 1215 C CZ . TYR A 1 165 ? 24.045 16.515 9.950 1.00 15.75 ? 165 TYR A CZ 1 ATOM 1216 O OH . TYR A 1 165 ? 23.506 15.853 11.031 1.00 17.20 ? 165 TYR A OH 1 ATOM 1217 N N . ASP A 1 166 ? 24.941 21.900 5.302 1.00 10.41 ? 166 ASP A N 1 ATOM 1218 C CA . ASP A 1 166 ? 25.648 22.989 4.652 1.00 11.11 ? 166 ASP A CA 1 ATOM 1219 C C . ASP A 1 166 ? 26.696 23.526 5.619 1.00 11.65 ? 166 ASP A C 1 ATOM 1220 O O . ASP A 1 166 ? 26.368 23.891 6.737 1.00 12.31 ? 166 ASP A O 1 ATOM 1221 C CB . ASP A 1 166 ? 24.673 24.123 4.289 1.00 11.67 ? 166 ASP A CB 1 ATOM 1222 C CG . ASP A 1 166 ? 23.662 23.710 3.218 1.00 12.67 ? 166 ASP A CG 1 ATOM 1223 O OD1 . ASP A 1 166 ? 24.062 23.058 2.247 1.00 12.86 ? 166 ASP A OD1 1 ATOM 1224 O OD2 . ASP A 1 166 ? 22.468 24.063 3.338 1.00 13.12 ? 166 ASP A OD2 1 ATOM 1225 N N . PHE A 1 167 ? 27.962 23.580 5.202 1.00 11.06 ? 167 PHE A N 1 ATOM 1226 C CA . PHE A 1 167 ? 29.010 24.175 6.030 1.00 10.68 ? 167 PHE A CA 1 ATOM 1227 C C . PHE A 1 167 ? 29.432 25.531 5.512 1.00 10.51 ? 167 PHE A C 1 ATOM 1228 O O . PHE A 1 167 ? 29.870 25.635 4.368 1.00 11.73 ? 167 PHE A O 1 ATOM 1229 C CB . PHE A 1 167 ? 30.230 23.258 6.098 1.00 11.07 ? 167 PHE A CB 1 ATOM 1230 C CG . PHE A 1 167 ? 30.030 22.075 7.010 1.00 12.60 ? 167 PHE A CG 1 ATOM 1231 C CD1 . PHE A 1 167 ? 30.331 22.175 8.368 1.00 13.53 ? 167 PHE A CD1 1 ATOM 1232 C CD2 . PHE A 1 167 ? 29.506 20.890 6.516 1.00 13.82 ? 167 PHE A CD2 1 ATOM 1233 C CE1 . PHE A 1 167 ? 30.102 21.107 9.227 1.00 14.61 ? 167 PHE A CE1 1 ATOM 1234 C CE2 . PHE A 1 167 ? 29.265 19.827 7.356 1.00 15.00 ? 167 PHE A CE2 1 ATOM 1235 C CZ . PHE A 1 167 ? 29.553 19.948 8.726 1.00 14.66 ? 167 PHE A CZ 1 ATOM 1236 N N . GLY A 1 168 ? 29.398 26.540 6.367 1.00 10.20 ? 168 GLY A N 1 ATOM 1237 C CA . GLY A 1 168 ? 29.903 27.859 6.015 1.00 10.09 ? 168 GLY A CA 1 ATOM 1238 C C . GLY A 1 168 ? 28.978 28.773 5.232 1.00 11.80 ? 168 GLY A C 1 ATOM 1239 O O . GLY A 1 168 ? 29.360 29.915 4.948 1.00 13.91 ? 168 GLY A O 1 ATOM 1240 N N . PHE A 1 169 ? 27.760 28.310 4.919 1.00 11.19 ? 169 PHE A N 1 ATOM 1241 C CA . PHE A 1 169 ? 26.807 29.161 4.202 1.00 12.20 ? 169 PHE A CA 1 ATOM 1242 C C . PHE A 1 169 ? 25.387 28.617 4.379 1.00 12.27 ? 169 PHE A C 1 ATOM 1243 O O . PHE A 1 169 ? 25.192 27.474 4.779 1.00 11.41 ? 169 PHE A O 1 ATOM 1244 C CB . PHE A 1 169 ? 27.121 29.225 2.698 1.00 12.77 ? 169 PHE A CB 1 ATOM 1245 C CG . PHE A 1 169 ? 26.660 28.008 1.932 1.00 13.81 ? 169 PHE A CG 1 ATOM 1246 C CD1 . PHE A 1 169 ? 27.255 26.788 2.128 1.00 14.46 ? 169 PHE A CD1 1 ATOM 1247 C CD2 . PHE A 1 169 ? 25.639 28.111 0.995 1.00 14.96 ? 169 PHE A CD2 1 ATOM 1248 C CE1 . PHE A 1 169 ? 26.843 25.683 1.419 1.00 15.46 ? 169 PHE A CE1 1 ATOM 1249 C CE2 . PHE A 1 169 ? 25.200 27.037 0.314 1.00 15.66 ? 169 PHE A CE2 1 ATOM 1250 C CZ . PHE A 1 169 ? 25.807 25.802 0.512 1.00 16.47 ? 169 PHE A CZ 1 ATOM 1251 N N . ILE A 1 170 ? 24.415 29.497 4.162 1.00 12.38 ? 170 ILE A N 1 ATOM 1252 C CA . ILE A 1 170 ? 23.001 29.168 4.271 1.00 12.84 ? 170 ILE A CA 1 ATOM 1253 C C . ILE A 1 170 ? 22.390 29.041 2.878 1.00 13.23 ? 170 ILE A C 1 ATOM 1254 O O . ILE A 1 170 ? 22.529 29.952 2.036 1.00 14.11 ? 170 ILE A O 1 ATOM 1255 C CB . ILE A 1 170 ? 22.300 30.299 5.005 1.00 14.33 ? 170 ILE A CB 1 ATOM 1256 C CG1 . ILE A 1 170 ? 22.810 30.375 6.448 1.00 15.32 ? 170 ILE A CG1 1 ATOM 1257 C CG2 . ILE A 1 170 ? 20.813 30.102 4.985 1.00 14.96 ? 170 ILE A CG2 1 ATOM 1258 C CD1 . ILE A 1 170 ? 22.353 31.624 7.193 1.00 16.13 ? 170 ILE A CD1 1 ATOM 1259 N N . ASP A 1 171 ? 21.695 27.940 2.620 1.00 12.07 ? 171 ASP A N 1 ATOM 1260 C CA . ASP A 1 171 ? 21.028 27.753 1.323 1.00 11.36 ? 171 ASP A CA 1 ATOM 1261 C C . ASP A 1 171 ? 19.576 28.150 1.525 1.00 10.15 ? 171 ASP A C 1 ATOM 1262 O O . ASP A 1 171 ? 18.789 27.367 2.059 1.00 10.29 ? 171 ASP A O 1 ATOM 1263 C CB . ASP A 1 171 ? 21.128 26.293 0.923 1.00 11.75 ? 171 ASP A CB 1 ATOM 1264 C CG . ASP A 1 171 ? 20.518 25.992 -0.428 1.00 13.03 ? 171 ASP A CG 1 ATOM 1265 O OD1 . ASP A 1 171 ? 19.791 26.857 -0.983 1.00 13.03 ? 171 ASP A OD1 1 ATOM 1266 O OD2 . ASP A 1 171 ? 20.743 24.843 -0.898 1.00 13.71 ? 171 ASP A OD2 1 ATOM 1267 N N . SER A 1 172 ? 19.226 29.349 1.070 1.00 9.95 ? 172 SER A N 1 ATOM 1268 C CA . SER A 1 172 ? 17.872 29.858 1.245 1.00 10.44 ? 172 SER A CA 1 ATOM 1269 C C . SER A 1 172 ? 16.781 29.099 0.480 1.00 11.45 ? 172 SER A C 1 ATOM 1270 O O . SER A 1 172 ? 15.589 29.306 0.719 1.00 12.70 ? 172 SER A O 1 ATOM 1271 C CB . SER A 1 172 ? 17.832 31.345 0.980 1.00 10.94 ? 172 SER A CB 1 ATOM 1272 O OG . SER A 1 172 ? 18.647 31.985 1.946 0.60 11.23 ? 172 SER A OG 1 ATOM 1273 N N . SER A 1 173 ? 17.176 28.243 -0.452 1.00 10.38 ? 173 SER A N 1 ATOM 1274 C CA . SER A 1 173 ? 16.187 27.472 -1.194 1.00 11.40 ? 173 SER A CA 1 ATOM 1275 C C . SER A 1 173 ? 15.705 26.287 -0.383 1.00 12.43 ? 173 SER A C 1 ATOM 1276 O O . SER A 1 173 ? 14.846 25.530 -0.836 1.00 13.21 ? 173 SER A O 1 ATOM 1277 C CB . SER A 1 173 ? 16.740 27.008 -2.545 1.00 11.55 ? 173 SER A CB 1 ATOM 1278 O OG . SER A 1 173 ? 17.681 25.954 -2.381 1.00 12.36 ? 173 SER A OG 1 ATOM 1279 N N . LYS A 1 174 ? 16.354 26.037 0.767 1.00 12.41 ? 174 LYS A N 1 ATOM 1280 C CA . LYS A 1 174 ? 16.000 24.881 1.602 1.00 13.26 ? 174 LYS A CA 1 ATOM 1281 C C . LYS A 1 174 ? 14.859 25.114 2.612 1.00 12.43 ? 174 LYS A C 1 ATOM 1282 O O . LYS A 1 174 ? 14.423 24.183 3.303 1.00 12.67 ? 174 LYS A O 1 ATOM 1283 C CB . LYS A 1 174 ? 17.246 24.352 2.326 1.00 14.94 ? 174 LYS A CB 1 ATOM 1284 C CG . LYS A 1 174 ? 18.286 23.733 1.389 1.00 16.24 ? 174 LYS A CG 1 ATOM 1285 C CD . LYS A 1 174 ? 17.717 22.454 0.854 1.00 18.51 ? 174 LYS A CD 1 ATOM 1286 C CE . LYS A 1 174 ? 18.649 21.772 -0.112 1.00 21.84 ? 174 LYS A CE 1 ATOM 1287 N NZ A LYS A 1 174 ? 18.940 22.642 -1.291 0.48 22.92 ? 174 LYS A NZ 1 ATOM 1288 N NZ B LYS A 1 174 ? 18.931 22.640 -1.295 0.52 23.00 ? 174 LYS A NZ 1 ATOM 1289 N N . TYR A 1 175 ? 14.370 26.353 2.674 1.00 11.16 ? 175 TYR A N 1 ATOM 1290 C CA . TYR A 1 175 ? 13.304 26.698 3.602 1.00 11.26 ? 175 TYR A CA 1 ATOM 1291 C C . TYR A 1 175 ? 12.390 27.777 3.047 1.00 13.06 ? 175 TYR A C 1 ATOM 1292 O O . TYR A 1 175 ? 12.722 28.457 2.061 1.00 12.65 ? 175 TYR A O 1 ATOM 1293 C CB . TYR A 1 175 ? 13.884 27.158 4.953 1.00 11.46 ? 175 TYR A CB 1 ATOM 1294 C CG . TYR A 1 175 ? 14.779 28.375 4.885 1.00 11.52 ? 175 TYR A CG 1 ATOM 1295 C CD1 . TYR A 1 175 ? 14.263 29.656 5.019 1.00 11.66 ? 175 TYR A CD1 1 ATOM 1296 C CD2 . TYR A 1 175 ? 16.157 28.236 4.732 1.00 12.13 ? 175 TYR A CD2 1 ATOM 1297 C CE1 . TYR A 1 175 ? 15.092 30.783 4.984 1.00 12.60 ? 175 TYR A CE1 1 ATOM 1298 C CE2 . TYR A 1 175 ? 16.989 29.348 4.703 1.00 12.45 ? 175 TYR A CE2 1 ATOM 1299 C CZ . TYR A 1 175 ? 16.454 30.611 4.819 1.00 13.80 ? 175 TYR A CZ 1 ATOM 1300 O OH . TYR A 1 175 ? 17.293 31.720 4.750 1.00 15.87 ? 175 TYR A OH 1 ATOM 1301 N N . THR A 1 176 ? 11.205 27.870 3.653 1.00 14.53 ? 176 THR A N 1 ATOM 1302 C CA . THR A 1 176 ? 10.201 28.858 3.281 1.00 16.10 ? 176 THR A CA 1 ATOM 1303 C C . THR A 1 176 ? 10.314 30.080 4.180 1.00 15.58 ? 176 THR A C 1 ATOM 1304 O O . THR A 1 176 ? 10.490 29.947 5.378 1.00 15.19 ? 176 THR A O 1 ATOM 1305 C CB . THR A 1 176 ? 8.791 28.299 3.524 1.00 19.21 ? 176 THR A CB 1 ATOM 1306 O OG1 . THR A 1 176 ? 8.645 27.060 2.822 1.00 21.08 ? 176 THR A OG1 1 ATOM 1307 C CG2 . THR A 1 176 ? 7.756 29.291 3.029 1.00 20.30 ? 176 THR A CG2 1 ATOM 1308 N N . GLY A 1 177 ? 10.134 31.271 3.626 1.00 15.71 ? 177 GLY A N 1 ATOM 1309 C CA . GLY A 1 177 ? 10.193 32.467 4.434 1.00 16.54 ? 177 GLY A CA 1 ATOM 1310 C C . GLY A 1 177 ? 11.594 32.776 4.928 1.00 17.11 ? 177 GLY A C 1 ATOM 1311 O O . GLY A 1 177 ? 12.601 32.411 4.298 1.00 17.37 ? 177 GLY A O 1 ATOM 1312 N N . SER A 1 178 ? 11.640 33.547 6.009 1.00 17.03 ? 178 SER A N 1 ATOM 1313 C CA . SER A 1 178 ? 12.883 33.957 6.639 1.00 17.99 ? 178 SER A CA 1 ATOM 1314 C C . SER A 1 178 ? 13.163 33.128 7.900 1.00 15.37 ? 178 SER A C 1 ATOM 1315 O O . SER A 1 178 ? 12.250 32.595 8.513 1.00 14.78 ? 178 SER A O 1 ATOM 1316 C CB . SER A 1 178 ? 12.783 35.428 7.039 1.00 21.84 ? 178 SER A CB 1 ATOM 1317 O OG . SER A 1 178 ? 12.459 36.223 5.909 1.00 25.47 ? 178 SER A OG 1 ATOM 1318 N N . LEU A 1 179 ? 14.432 33.068 8.288 1.00 13.68 ? 179 LEU A N 1 ATOM 1319 C CA . LEU A 1 179 ? 14.850 32.360 9.503 1.00 12.92 ? 179 LEU A CA 1 ATOM 1320 C C . LEU A 1 179 ? 14.567 33.212 10.747 1.00 12.81 ? 179 LEU A C 1 ATOM 1321 O O . LEU A 1 179 ? 14.637 34.460 10.694 1.00 12.65 ? 179 LEU A O 1 ATOM 1322 C CB . LEU A 1 179 ? 16.359 32.154 9.452 1.00 13.09 ? 179 LEU A CB 1 ATOM 1323 C CG . LEU A 1 179 ? 16.844 31.197 8.380 1.00 14.03 ? 179 LEU A CG 1 ATOM 1324 C CD1 . LEU A 1 179 ? 18.341 31.371 8.240 1.00 13.89 ? 179 LEU A CD1 1 ATOM 1325 C CD2 . LEU A 1 179 ? 16.542 29.803 8.846 1.00 13.86 ? 179 LEU A CD2 1 ATOM 1326 N N . THR A 1 180 ? 14.211 32.532 11.839 1.00 11.48 ? 180 THR A N 1 ATOM 1327 C CA . THR A 1 180 ? 14.011 33.171 13.144 1.00 12.48 ? 180 THR A CA 1 ATOM 1328 C C . THR A 1 180 ? 15.101 32.635 14.053 1.00 12.63 ? 180 THR A C 1 ATOM 1329 O O . THR A 1 180 ? 15.319 31.428 14.127 1.00 12.80 ? 180 THR A O 1 ATOM 1330 C CB . THR A 1 180 ? 12.631 32.845 13.760 1.00 13.38 ? 180 THR A CB 1 ATOM 1331 O OG1 . THR A 1 180 ? 11.623 33.327 12.873 1.00 13.43 ? 180 THR A OG1 1 ATOM 1332 C CG2 . THR A 1 180 ? 12.479 33.551 15.134 1.00 13.95 ? 180 THR A CG2 1 ATOM 1333 N N . TYR A 1 181 ? 15.838 33.524 14.687 1.00 13.33 ? 181 TYR A N 1 ATOM 1334 C CA . TYR A 1 181 ? 16.928 33.083 15.547 1.00 13.82 ? 181 TYR A CA 1 ATOM 1335 C C . TYR A 1 181 ? 16.563 33.134 17.003 1.00 13.14 ? 181 TYR A C 1 ATOM 1336 O O . TYR A 1 181 ? 15.810 34.008 17.424 1.00 13.04 ? 181 TYR A O 1 ATOM 1337 C CB . TYR A 1 181 ? 18.175 33.951 15.322 1.00 15.10 ? 181 TYR A CB 1 ATOM 1338 C CG . TYR A 1 181 ? 18.853 33.671 14.003 1.00 17.11 ? 181 TYR A CG 1 ATOM 1339 C CD1 . TYR A 1 181 ? 18.432 34.307 12.839 1.00 18.22 ? 181 TYR A CD1 1 ATOM 1340 C CD2 . TYR A 1 181 ? 19.847 32.707 13.901 1.00 18.32 ? 181 TYR A CD2 1 ATOM 1341 C CE1 . TYR A 1 181 ? 19.046 34.027 11.622 1.00 19.15 ? 181 TYR A CE1 1 ATOM 1342 C CE2 . TYR A 1 181 ? 20.464 32.444 12.680 1.00 19.19 ? 181 TYR A CE2 1 ATOM 1343 C CZ . TYR A 1 181 ? 20.048 33.109 11.556 1.00 19.40 ? 181 TYR A CZ 1 ATOM 1344 O OH . TYR A 1 181 ? 20.678 32.853 10.367 1.00 21.05 ? 181 TYR A OH 1 ATOM 1345 N N . THR A 1 182 ? 17.253 32.325 17.798 1.00 12.56 ? 182 THR A N 1 ATOM 1346 C CA . THR A 1 182 ? 17.058 32.352 19.240 1.00 12.87 ? 182 THR A CA 1 ATOM 1347 C C . THR A 1 182 ? 18.429 32.095 19.887 1.00 13.05 ? 182 THR A C 1 ATOM 1348 O O . THR A 1 182 ? 19.314 31.497 19.260 1.00 11.96 ? 182 THR A O 1 ATOM 1349 C CB . THR A 1 182 ? 16.002 31.288 19.715 1.00 13.25 ? 182 THR A CB 1 ATOM 1350 O OG1 . THR A 1 182 ? 15.656 31.554 21.078 1.00 14.85 ? 182 THR A OG1 1 ATOM 1351 C CG2 . THR A 1 182 ? 16.541 29.857 19.598 1.00 12.39 ? 182 THR A CG2 1 ATOM 1352 N N . GLY A 1 183 ? 18.634 32.602 21.103 1.00 12.18 ? 183 GLY A N 1 ATOM 1353 C CA . GLY A 1 183 ? 19.927 32.430 21.769 1.00 11.77 ? 183 GLY A CA 1 ATOM 1354 C C . GLY A 1 183 ? 20.234 31.018 22.262 1.00 11.57 ? 183 GLY A C 1 ATOM 1355 O O . GLY A 1 183 ? 19.336 30.265 22.649 1.00 12.91 ? 183 GLY A O 1 ATOM 1356 N N . VAL A 1 184 ? 21.511 30.651 22.222 1.00 10.32 ? 184 VAL A N 1 ATOM 1357 C CA . VAL A 1 184 ? 21.933 29.341 22.684 1.00 10.55 ? 184 VAL A CA 1 ATOM 1358 C C . VAL A 1 184 ? 22.699 29.418 23.999 1.00 11.20 ? 184 VAL A C 1 ATOM 1359 O O . VAL A 1 184 ? 23.522 30.308 24.179 1.00 11.78 ? 184 VAL A O 1 ATOM 1360 C CB . VAL A 1 184 ? 22.790 28.655 21.602 1.00 11.45 ? 184 VAL A CB 1 ATOM 1361 C CG1 . VAL A 1 184 ? 23.513 27.464 22.173 1.00 11.02 ? 184 VAL A CG1 1 ATOM 1362 C CG2 . VAL A 1 184 ? 21.877 28.202 20.472 1.00 12.26 ? 184 VAL A CG2 1 ATOM 1363 N N . ASP A 1 185 ? 22.407 28.497 24.914 1.00 11.21 ? 185 ASP A N 1 ATOM 1364 C CA . ASP A 1 185 ? 23.129 28.382 26.180 1.00 11.68 ? 185 ASP A CA 1 ATOM 1365 C C . ASP A 1 185 ? 24.066 27.194 25.968 1.00 11.29 ? 185 ASP A C 1 ATOM 1366 O O . ASP A 1 185 ? 23.627 26.046 25.900 1.00 10.96 ? 185 ASP A O 1 ATOM 1367 C CB . ASP A 1 185 ? 22.143 28.081 27.309 1.00 13.16 ? 185 ASP A CB 1 ATOM 1368 C CG . ASP A 1 185 ? 22.827 27.690 28.597 1.00 17.42 ? 185 ASP A CG 1 ATOM 1369 O OD1 . ASP A 1 185 ? 24.062 27.834 28.723 1.00 16.59 ? 185 ASP A OD1 1 ATOM 1370 O OD2 . ASP A 1 185 ? 22.122 27.186 29.481 1.00 20.17 ? 185 ASP A OD2 1 ATOM 1371 N N . ASN A 1 186 ? 25.355 27.478 25.819 1.00 11.04 ? 186 ASN A N 1 ATOM 1372 C CA . ASN A 1 186 ? 26.328 26.401 25.606 1.00 12.48 ? 186 ASN A CA 1 ATOM 1373 C C . ASN A 1 186 ? 27.051 25.952 26.872 1.00 11.99 ? 186 ASN A C 1 ATOM 1374 O O . ASN A 1 186 ? 28.069 25.259 26.776 1.00 12.53 ? 186 ASN A O 1 ATOM 1375 C CB . ASN A 1 186 ? 27.334 26.735 24.502 1.00 14.18 ? 186 ASN A CB 1 ATOM 1376 C CG . ASN A 1 186 ? 28.197 27.939 24.836 1.00 17.74 ? 186 ASN A CG 1 ATOM 1377 O OD1 . ASN A 1 186 ? 27.905 28.696 25.752 1.00 19.38 ? 186 ASN A OD1 1 ATOM 1378 N ND2 . ASN A 1 186 ? 29.269 28.136 24.063 1.00 19.59 ? 186 ASN A ND2 1 ATOM 1379 N N . SER A 1 187 ? 26.553 26.358 28.040 1.00 11.79 ? 187 SER A N 1 ATOM 1380 C CA . SER A 1 187 ? 27.229 26.042 29.299 1.00 12.91 ? 187 SER A CA 1 ATOM 1381 C C . SER A 1 187 ? 27.464 24.546 29.572 1.00 14.08 ? 187 SER A C 1 ATOM 1382 O O . SER A 1 187 ? 28.428 24.178 30.258 1.00 15.83 ? 187 SER A O 1 ATOM 1383 C CB . SER A 1 187 ? 26.535 26.732 30.477 1.00 15.05 ? 187 SER A CB 1 ATOM 1384 O OG . SER A 1 187 ? 25.262 26.172 30.681 1.00 16.37 ? 187 SER A OG 1 ATOM 1385 N N . GLN A 1 188 ? 26.580 23.678 29.088 1.00 11.47 ? 188 GLN A N 1 ATOM 1386 C CA . GLN A 1 188 ? 26.787 22.240 29.233 1.00 11.31 ? 188 GLN A CA 1 ATOM 1387 C C . GLN A 1 188 ? 27.318 21.608 27.936 1.00 11.22 ? 188 GLN A C 1 ATOM 1388 O O . GLN A 1 188 ? 27.298 20.391 27.788 1.00 10.80 ? 188 GLN A O 1 ATOM 1389 C CB . GLN A 1 188 ? 25.527 21.549 29.738 1.00 11.94 ? 188 GLN A CB 1 ATOM 1390 C CG . GLN A 1 188 ? 25.264 21.828 31.229 1.00 13.67 ? 188 GLN A CG 1 ATOM 1391 C CD . GLN A 1 188 ? 26.252 21.082 32.156 1.00 16.09 ? 188 GLN A CD 1 ATOM 1392 O OE1 . GLN A 1 188 ? 26.784 20.020 31.812 1.00 15.24 ? 188 GLN A OE1 1 ATOM 1393 N NE2 . GLN A 1 188 ? 26.527 21.675 33.321 1.00 18.44 ? 188 GLN A NE2 1 ATOM 1394 N N . GLY A 1 189 ? 27.790 22.457 27.011 1.00 11.02 ? 189 GLY A N 1 ATOM 1395 C CA . GLY A 1 189 ? 28.336 21.995 25.725 1.00 11.10 ? 189 GLY A CA 1 ATOM 1396 C C . GLY A 1 189 ? 27.313 21.680 24.612 1.00 10.31 ? 189 GLY A C 1 ATOM 1397 O O . GLY A 1 189 ? 27.692 21.197 23.547 1.00 10.81 ? 189 GLY A O 1 ATOM 1398 N N . PHE A 1 190 ? 26.022 21.821 24.874 1.00 9.77 ? 190 PHE A N 1 ATOM 1399 C CA . PHE A 1 190 ? 25.025 21.488 23.853 1.00 9.70 ? 190 PHE A CA 1 ATOM 1400 C C . PHE A 1 190 ? 24.492 22.702 23.143 1.00 9.29 ? 190 PHE A C 1 ATOM 1401 O O . PHE A 1 190 ? 24.621 23.815 23.644 1.00 9.48 ? 190 PHE A O 1 ATOM 1402 C CB . PHE A 1 190 ? 23.811 20.787 24.500 1.00 9.45 ? 190 PHE A CB 1 ATOM 1403 C CG . PHE A 1 190 ? 24.160 19.548 25.278 1.00 9.78 ? 190 PHE A CG 1 ATOM 1404 C CD1 . PHE A 1 190 ? 24.629 18.420 24.625 1.00 10.48 ? 190 PHE A CD1 1 ATOM 1405 C CD2 . PHE A 1 190 ? 23.870 19.460 26.635 1.00 9.93 ? 190 PHE A CD2 1 ATOM 1406 C CE1 . PHE A 1 190 ? 24.858 17.227 25.316 1.00 11.40 ? 190 PHE A CE1 1 ATOM 1407 C CE2 . PHE A 1 190 ? 24.077 18.263 27.329 1.00 10.50 ? 190 PHE A CE2 1 ATOM 1408 C CZ . PHE A 1 190 ? 24.572 17.157 26.677 1.00 11.04 ? 190 PHE A CZ 1 ATOM 1409 N N . TRP A 1 191 ? 23.796 22.480 22.018 1.00 8.51 ? 191 TRP A N 1 ATOM 1410 C CA . TRP A 1 191 ? 23.097 23.572 21.355 1.00 9.53 ? 191 TRP A CA 1 ATOM 1411 C C . TRP A 1 191 ? 21.723 23.646 22.039 1.00 9.90 ? 191 TRP A C 1 ATOM 1412 O O . TRP A 1 191 ? 20.750 23.108 21.531 1.00 10.05 ? 191 TRP A O 1 ATOM 1413 C CB . TRP A 1 191 ? 22.951 23.277 19.866 1.00 9.38 ? 191 TRP A CB 1 ATOM 1414 C CG . TRP A 1 191 ? 24.289 23.352 19.148 1.00 9.22 ? 191 TRP A CG 1 ATOM 1415 C CD1 . TRP A 1 191 ? 25.183 22.313 18.956 1.00 9.83 ? 191 TRP A CD1 1 ATOM 1416 C CD2 . TRP A 1 191 ? 24.894 24.519 18.564 1.00 8.26 ? 191 TRP A CD2 1 ATOM 1417 N NE1 . TRP A 1 191 ? 26.303 22.784 18.285 1.00 9.33 ? 191 TRP A NE1 1 ATOM 1418 C CE2 . TRP A 1 191 ? 26.146 24.124 18.030 1.00 8.20 ? 191 TRP A CE2 1 ATOM 1419 C CE3 . TRP A 1 191 ? 24.472 25.845 18.376 1.00 8.82 ? 191 TRP A CE3 1 ATOM 1420 C CZ2 . TRP A 1 191 ? 26.997 25.018 17.360 1.00 8.71 ? 191 TRP A CZ2 1 ATOM 1421 C CZ3 . TRP A 1 191 ? 25.338 26.746 17.724 1.00 9.06 ? 191 TRP A CZ3 1 ATOM 1422 C CH2 . TRP A 1 191 ? 26.575 26.309 17.203 1.00 9.03 ? 191 TRP A CH2 1 ATOM 1423 N N . SER A 1 192 ? 21.694 24.271 23.212 1.00 9.51 ? 192 SER A N 1 ATOM 1424 C CA . SER A 1 192 ? 20.493 24.350 24.047 1.00 11.11 ? 192 SER A CA 1 ATOM 1425 C C . SER A 1 192 ? 19.724 25.640 23.801 1.00 10.30 ? 192 SER A C 1 ATOM 1426 O O . SER A 1 192 ? 20.331 26.690 23.720 1.00 10.83 ? 192 SER A O 1 ATOM 1427 C CB . SER A 1 192 ? 20.889 24.220 25.531 1.00 12.75 ? 192 SER A CB 1 ATOM 1428 O OG . SER A 1 192 ? 19.737 24.215 26.374 1.00 14.19 ? 192 SER A OG 1 ATOM 1429 N N . PHE A 1 193 ? 18.395 25.561 23.777 1.00 9.11 ? 193 PHE A N 1 ATOM 1430 C CA . PHE A 1 193 ? 17.595 26.752 23.549 1.00 10.12 ? 193 PHE A CA 1 ATOM 1431 C C . PHE A 1 193 ? 16.306 26.660 24.341 1.00 10.69 ? 193 PHE A C 1 ATOM 1432 O O . PHE A 1 193 ? 15.964 25.587 24.858 1.00 11.23 ? 193 PHE A O 1 ATOM 1433 C CB . PHE A 1 193 ? 17.277 26.922 22.046 1.00 9.84 ? 193 PHE A CB 1 ATOM 1434 C CG . PHE A 1 193 ? 16.455 25.797 21.445 1.00 10.24 ? 193 PHE A CG 1 ATOM 1435 C CD1 . PHE A 1 193 ? 17.055 24.604 21.053 1.00 9.74 ? 193 PHE A CD1 1 ATOM 1436 C CD2 . PHE A 1 193 ? 15.094 25.947 21.218 1.00 11.52 ? 193 PHE A CD2 1 ATOM 1437 C CE1 . PHE A 1 193 ? 16.315 23.574 20.486 1.00 10.82 ? 193 PHE A CE1 1 ATOM 1438 C CE2 . PHE A 1 193 ? 14.329 24.902 20.665 1.00 11.87 ? 193 PHE A CE2 1 ATOM 1439 C CZ . PHE A 1 193 ? 14.946 23.710 20.296 1.00 11.49 ? 193 PHE A CZ 1 ATOM 1440 N N . ASN A 1 194 ? 15.641 27.800 24.503 1.00 10.73 ? 194 ASN A N 1 ATOM 1441 C CA . ASN A 1 194 ? 14.378 27.847 25.235 1.00 13.08 ? 194 ASN A CA 1 ATOM 1442 C C . ASN A 1 194 ? 13.155 27.960 24.354 1.00 12.29 ? 194 ASN A C 1 ATOM 1443 O O . ASN A 1 194 ? 13.179 28.686 23.352 1.00 12.61 ? 194 ASN A O 1 ATOM 1444 C CB . ASN A 1 194 ? 14.383 29.043 26.205 1.00 16.69 ? 194 ASN A CB 1 ATOM 1445 C CG . ASN A 1 194 ? 15.496 28.928 27.270 1.00 21.91 ? 194 ASN A CG 1 ATOM 1446 O OD1 . ASN A 1 194 ? 16.109 29.933 27.679 1.00 25.19 ? 194 ASN A OD1 1 ATOM 1447 N ND2 . ASN A 1 194 ? 15.788 27.699 27.686 1.00 21.68 ? 194 ASN A ND2 1 ATOM 1448 N N . VAL A 1 195 ? 12.079 27.264 24.739 1.00 11.58 ? 195 VAL A N 1 ATOM 1449 C CA . VAL A 1 195 ? 10.779 27.428 24.078 1.00 12.93 ? 195 VAL A CA 1 ATOM 1450 C C . VAL A 1 195 ? 9.824 28.071 25.085 1.00 11.50 ? 195 VAL A C 1 ATOM 1451 O O . VAL A 1 195 ? 9.851 27.758 26.271 1.00 11.97 ? 195 VAL A O 1 ATOM 1452 C CB . VAL A 1 195 ? 10.180 26.127 23.506 1.00 15.80 ? 195 VAL A CB 1 ATOM 1453 C CG1 . VAL A 1 195 ? 11.246 25.329 22.714 1.00 16.36 ? 195 VAL A CG1 1 ATOM 1454 C CG2 . VAL A 1 195 ? 9.505 25.292 24.570 1.00 16.03 ? 195 VAL A CG2 1 ATOM 1455 N N . ASP A 1 196 ? 9.047 29.024 24.627 1.00 11.10 ? 196 ASP A N 1 ATOM 1456 C CA . ASP A 1 196 ? 8.134 29.723 25.518 1.00 13.29 ? 196 ASP A CA 1 ATOM 1457 C C . ASP A 1 196 ? 6.863 28.950 25.855 1.00 14.12 ? 196 ASP A C 1 ATOM 1458 O O . ASP A 1 196 ? 6.226 29.227 26.883 1.00 16.37 ? 196 ASP A O 1 ATOM 1459 C CB . ASP A 1 196 ? 7.795 31.069 24.927 1.00 14.80 ? 196 ASP A CB 1 ATOM 1460 C CG . ASP A 1 196 ? 8.918 32.033 25.063 1.00 18.72 ? 196 ASP A CG 1 ATOM 1461 O OD1 . ASP A 1 196 ? 9.462 32.126 26.193 1.00 20.31 ? 196 ASP A OD1 1 ATOM 1462 O OD2 . ASP A 1 196 ? 9.270 32.676 24.053 1.00 20.03 ? 196 ASP A OD2 1 ATOM 1463 N N . SER A 1 197 ? 6.458 28.045 24.966 1.00 12.32 ? 197 SER A N 1 ATOM 1464 C CA . SER A 1 197 ? 5.250 27.246 25.168 1.00 12.83 ? 197 SER A CA 1 ATOM 1465 C C . SER A 1 197 ? 5.181 26.156 24.120 1.00 11.86 ? 197 SER A C 1 ATOM 1466 O O . SER A 1 197 ? 5.971 26.154 23.162 1.00 11.15 ? 197 SER A O 1 ATOM 1467 C CB . SER A 1 197 ? 3.979 28.096 25.052 1.00 15.68 ? 197 SER A CB 1 ATOM 1468 O OG . SER A 1 197 ? 3.824 28.646 23.759 1.00 18.11 ? 197 SER A OG 1 ATOM 1469 N N . TYR A 1 198 ? 4.203 25.264 24.273 1.00 10.85 ? 198 TYR A N 1 ATOM 1470 C CA . TYR A 1 198 ? 4.020 24.213 23.299 1.00 11.33 ? 198 TYR A CA 1 ATOM 1471 C C . TYR A 1 198 ? 2.534 23.958 23.101 1.00 12.66 ? 198 TYR A C 1 ATOM 1472 O O . TYR A 1 198 ? 1.705 24.337 23.933 1.00 13.09 ? 198 TYR A O 1 ATOM 1473 C CB . TYR A 1 198 ? 4.714 22.911 23.737 1.00 11.98 ? 198 TYR A CB 1 ATOM 1474 C CG . TYR A 1 198 ? 4.069 22.241 24.936 1.00 13.89 ? 198 TYR A CG 1 ATOM 1475 C CD1 . TYR A 1 198 ? 4.408 22.619 26.229 1.00 15.34 ? 198 TYR A CD1 1 ATOM 1476 C CD2 . TYR A 1 198 ? 3.069 21.294 24.777 1.00 14.56 ? 198 TYR A CD2 1 ATOM 1477 C CE1 . TYR A 1 198 ? 3.788 22.053 27.324 1.00 16.34 ? 198 TYR A CE1 1 ATOM 1478 C CE2 . TYR A 1 198 ? 2.432 20.742 25.860 1.00 15.55 ? 198 TYR A CE2 1 ATOM 1479 C CZ . TYR A 1 198 ? 2.804 21.132 27.136 1.00 17.03 ? 198 TYR A CZ 1 ATOM 1480 O OH . TYR A 1 198 ? 2.199 20.579 28.241 1.00 18.97 ? 198 TYR A OH 1 ATOM 1481 N N . THR A 1 199 ? 2.211 23.270 22.015 1.00 12.67 ? 199 THR A N 1 ATOM 1482 C CA . THR A 1 199 ? 0.847 22.851 21.751 1.00 13.50 ? 199 THR A CA 1 ATOM 1483 C C . THR A 1 199 ? 0.910 21.419 21.234 1.00 13.69 ? 199 THR A C 1 ATOM 1484 O O . THR A 1 199 ? 1.595 21.132 20.245 1.00 14.51 ? 199 THR A O 1 ATOM 1485 C CB . THR A 1 199 ? 0.185 23.700 20.660 1.00 15.32 ? 199 THR A CB 1 ATOM 1486 O OG1 . THR A 1 199 ? 0.093 25.057 21.117 1.00 16.82 ? 199 THR A OG1 1 ATOM 1487 C CG2 . THR A 1 199 ? -1.212 23.146 20.324 1.00 15.45 ? 199 THR A CG2 1 ATOM 1488 N N . ALA A 1 200 ? 0.325 20.513 22.003 1.00 11.99 ? 200 ALA A N 1 ATOM 1489 C CA . ALA A 1 200 ? 0.231 19.116 21.653 1.00 12.01 ? 200 ALA A CA 1 ATOM 1490 C C . ALA A 1 200 ? -1.227 18.888 21.291 1.00 13.45 ? 200 ALA A C 1 ATOM 1491 O O . ALA A 1 200 ? -2.066 18.709 22.173 1.00 12.72 ? 200 ALA A O 1 ATOM 1492 C CB . ALA A 1 200 ? 0.610 18.259 22.820 1.00 11.78 ? 200 ALA A CB 1 ATOM 1493 N N . GLY A 1 201 ? -1.541 18.907 20.000 1.00 14.36 ? 201 GLY A N 1 ATOM 1494 C CA . GLY A 1 201 ? -2.916 18.697 19.578 1.00 14.67 ? 201 GLY A CA 1 ATOM 1495 C C . GLY A 1 201 ? -3.783 19.775 20.186 1.00 15.59 ? 201 GLY A C 1 ATOM 1496 O O . GLY A 1 201 ? -3.566 20.963 19.946 1.00 17.18 ? 201 GLY A O 1 ATOM 1497 N N . SER A 1 202 ? -4.813 19.360 20.915 1.00 14.45 ? 202 SER A N 1 ATOM 1498 C CA . SER A 1 202 ? -5.747 20.305 21.529 1.00 14.76 ? 202 SER A CA 1 ATOM 1499 C C . SER A 1 202 ? -5.339 20.858 22.910 1.00 16.27 ? 202 SER A C 1 ATOM 1500 O O . SER A 1 202 ? -6.136 21.564 23.543 1.00 16.90 ? 202 SER A O 1 ATOM 1501 C CB . SER A 1 202 ? -7.108 19.658 21.676 1.00 14.51 ? 202 SER A CB 1 ATOM 1502 O OG A SER A 1 202 ? -7.458 18.943 20.514 0.43 13.50 ? 202 SER A OG 1 ATOM 1503 O OG B SER A 1 202 ? -7.012 18.525 22.515 0.57 16.09 ? 202 SER A OG 1 ATOM 1504 N N . GLN A 1 203 ? -4.126 20.566 23.383 1.00 15.45 ? 203 GLN A N 1 ATOM 1505 C CA . GLN A 1 203 ? -3.703 21.050 24.700 1.00 16.97 ? 203 GLN A CA 1 ATOM 1506 C C . GLN A 1 203 ? -2.405 21.866 24.571 1.00 16.63 ? 203 GLN A C 1 ATOM 1507 O O . GLN A 1 203 ? -1.520 21.510 23.797 1.00 16.36 ? 203 GLN A O 1 ATOM 1508 C CB . GLN A 1 203 ? -3.347 19.853 25.578 1.00 20.96 ? 203 GLN A CB 1 ATOM 1509 C CG . GLN A 1 203 ? -4.408 18.798 25.732 1.00 26.40 ? 203 GLN A CG 1 ATOM 1510 C CD . GLN A 1 203 ? -5.494 19.221 26.666 1.00 31.35 ? 203 GLN A CD 1 ATOM 1511 O OE1 . GLN A 1 203 ? -5.279 20.070 27.552 1.00 33.38 ? 203 GLN A OE1 1 ATOM 1512 N NE2 . GLN A 1 203 ? -6.672 18.611 26.514 1.00 32.86 ? 203 GLN A NE2 1 ATOM 1513 N N . SER A 1 204 ? -2.326 22.985 25.279 1.00 16.29 ? 204 SER A N 1 ATOM 1514 C CA . SER A 1 204 ? -1.135 23.823 25.293 1.00 17.35 ? 204 SER A CA 1 ATOM 1515 C C . SER A 1 204 ? -0.486 23.748 26.670 1.00 19.57 ? 204 SER A C 1 ATOM 1516 O O . SER A 1 204 ? -1.111 23.293 27.636 1.00 21.44 ? 204 SER A O 1 ATOM 1517 C CB . SER A 1 204 ? -1.463 25.274 24.931 1.00 17.70 ? 204 SER A CB 1 ATOM 1518 O OG . SER A 1 204 ? -1.922 25.365 23.588 1.00 18.55 ? 204 SER A OG 1 ATOM 1519 N N . GLY A 1 205 ? 0.738 24.244 26.801 1.00 18.58 ? 205 GLY A N 1 ATOM 1520 C CA . GLY A 1 205 ? 1.418 24.179 28.091 1.00 17.45 ? 205 GLY A CA 1 ATOM 1521 C C . GLY A 1 205 ? 2.572 25.170 28.122 1.00 17.39 ? 205 GLY A C 1 ATOM 1522 O O . GLY A 1 205 ? 2.845 25.861 27.151 1.00 16.55 ? 205 GLY A O 1 ATOM 1523 N N . ASP A 1 206 ? 3.178 25.279 29.294 1.00 18.70 ? 206 ASP A N 1 ATOM 1524 C CA . ASP A 1 206 ? 4.271 26.186 29.546 1.00 20.57 ? 206 ASP A CA 1 ATOM 1525 C C . ASP A 1 206 ? 5.555 25.695 28.878 1.00 16.73 ? 206 ASP A C 1 ATOM 1526 O O . ASP A 1 206 ? 5.704 24.508 28.561 1.00 15.56 ? 206 ASP A O 1 ATOM 1527 C CB . ASP A 1 206 ? 4.485 26.273 31.064 1.00 26.65 ? 206 ASP A CB 1 ATOM 1528 C CG . ASP A 1 206 ? 5.389 27.413 31.452 1.00 32.68 ? 206 ASP A CG 1 ATOM 1529 O OD1 . ASP A 1 206 ? 5.412 28.421 30.689 1.00 34.88 ? 206 ASP A OD1 1 ATOM 1530 O OD2 . ASP A 1 206 ? 6.124 27.279 32.469 1.00 34.47 ? 206 ASP A OD2 1 ATOM 1531 N N . GLY A 1 207 ? 6.501 26.616 28.769 1.00 15.35 ? 207 GLY A N 1 ATOM 1532 C CA . GLY A 1 207 ? 7.808 26.375 28.150 1.00 14.80 ? 207 GLY A CA 1 ATOM 1533 C C . GLY A 1 207 ? 8.773 25.485 28.928 1.00 14.84 ? 207 GLY A C 1 ATOM 1534 O O . GLY A 1 207 ? 8.489 25.004 30.038 1.00 14.12 ? 207 GLY A O 1 ATOM 1535 N N . PHE A 1 208 ? 9.929 25.252 28.297 1.00 14.06 ? 208 PHE A N 1 ATOM 1536 C CA . PHE A 1 208 ? 10.975 24.412 28.844 1.00 12.64 ? 208 PHE A CA 1 ATOM 1537 C C . PHE A 1 208 ? 12.173 24.592 27.943 1.00 11.30 ? 208 PHE A C 1 ATOM 1538 O O . PHE A 1 208 ? 12.133 25.417 27.036 1.00 11.82 ? 208 PHE A O 1 ATOM 1539 C CB . PHE A 1 208 ? 10.543 22.947 28.897 1.00 12.72 ? 208 PHE A CB 1 ATOM 1540 C CG . PHE A 1 208 ? 9.981 22.426 27.599 1.00 14.50 ? 208 PHE A CG 1 ATOM 1541 C CD1 . PHE A 1 208 ? 10.806 21.838 26.649 1.00 15.10 ? 208 PHE A CD1 1 ATOM 1542 C CD2 . PHE A 1 208 ? 8.624 22.492 27.345 1.00 15.31 ? 208 PHE A CD2 1 ATOM 1543 C CE1 . PHE A 1 208 ? 10.298 21.361 25.432 1.00 15.35 ? 208 PHE A CE1 1 ATOM 1544 C CE2 . PHE A 1 208 ? 8.084 21.978 26.159 1.00 16.45 ? 208 PHE A CE2 1 ATOM 1545 C CZ . PHE A 1 208 ? 8.923 21.428 25.184 1.00 16.21 ? 208 PHE A CZ 1 ATOM 1546 N N . SER A 1 209 ? 13.288 23.965 28.292 1.00 9.82 ? 209 SER A N 1 ATOM 1547 C CA . SER A 1 209 ? 14.476 24.092 27.454 1.00 9.54 ? 209 SER A CA 1 ATOM 1548 C C . SER A 1 209 ? 14.765 22.730 26.824 1.00 8.74 ? 209 SER A C 1 ATOM 1549 O O . SER A 1 209 ? 14.303 21.672 27.286 1.00 8.54 ? 209 SER A O 1 ATOM 1550 C CB . SER A 1 209 ? 15.670 24.598 28.246 1.00 10.74 ? 209 SER A CB 1 ATOM 1551 O OG . SER A 1 209 ? 16.089 23.569 29.113 1.00 13.09 ? 209 SER A OG 1 ATOM 1552 N N . GLY A 1 210 ? 15.568 22.755 25.764 1.00 8.79 ? 210 GLY A N 1 ATOM 1553 C CA . GLY A 1 210 ? 15.936 21.506 25.101 1.00 9.37 ? 210 GLY A CA 1 ATOM 1554 C C . GLY A 1 210 ? 17.143 21.705 24.203 1.00 8.35 ? 210 GLY A C 1 ATOM 1555 O O . GLY A 1 210 ? 17.635 22.820 24.060 1.00 8.77 ? 210 GLY A O 1 ATOM 1556 N N . ILE A 1 211 ? 17.658 20.593 23.694 1.00 7.76 ? 211 ILE A N 1 ATOM 1557 C CA . ILE A 1 211 ? 18.826 20.648 22.831 1.00 7.36 ? 211 ILE A CA 1 ATOM 1558 C C . ILE A 1 211 ? 18.522 20.188 21.406 1.00 7.73 ? 211 ILE A C 1 ATOM 1559 O O . ILE A 1 211 ? 17.762 19.235 21.222 1.00 8.47 ? 211 ILE A O 1 ATOM 1560 C CB . ILE A 1 211 ? 19.968 19.831 23.431 1.00 8.48 ? 211 ILE A CB 1 ATOM 1561 C CG1 . ILE A 1 211 ? 19.640 18.345 23.477 1.00 8.91 ? 211 ILE A CG1 1 ATOM 1562 C CG2 . ILE A 1 211 ? 20.267 20.321 24.844 1.00 9.53 ? 211 ILE A CG2 1 ATOM 1563 C CD1 . ILE A 1 211 ? 20.846 17.489 23.836 1.00 10.81 ? 211 ILE A CD1 1 ATOM 1564 N N . ALA A 1 212 ? 19.130 20.856 20.416 1.00 7.24 ? 212 ALA A N 1 ATOM 1565 C CA . ALA A 1 212 ? 18.980 20.469 19.009 1.00 7.93 ? 212 ALA A CA 1 ATOM 1566 C C . ALA A 1 212 ? 19.990 19.330 18.830 1.00 9.07 ? 212 ALA A C 1 ATOM 1567 O O . ALA A 1 212 ? 21.214 19.566 18.867 1.00 9.08 ? 212 ALA A O 1 ATOM 1568 C CB . ALA A 1 212 ? 19.295 21.652 18.091 1.00 8.33 ? 212 ALA A CB 1 ATOM 1569 N N . ASP A 1 213 ? 19.502 18.126 18.564 1.00 8.27 ? 213 ASP A N 1 ATOM 1570 C CA . ASP A 1 213 ? 20.368 16.953 18.588 1.00 8.54 ? 213 ASP A CA 1 ATOM 1571 C C . ASP A 1 213 ? 20.107 15.984 17.415 1.00 9.01 ? 213 ASP A C 1 ATOM 1572 O O . ASP A 1 213 ? 19.282 15.067 17.507 1.00 8.76 ? 213 ASP A O 1 ATOM 1573 C CB . ASP A 1 213 ? 20.073 16.248 19.926 1.00 8.88 ? 213 ASP A CB 1 ATOM 1574 C CG . ASP A 1 213 ? 20.919 15.031 20.162 1.00 12.58 ? 213 ASP A CG 1 ATOM 1575 O OD1 . ASP A 1 213 ? 21.798 14.713 19.336 1.00 13.09 ? 213 ASP A OD1 1 ATOM 1576 O OD2 . ASP A 1 213 ? 20.654 14.335 21.156 1.00 15.34 ? 213 ASP A OD2 1 ATOM 1577 N N . THR A 1 214 ? 20.935 16.097 16.363 1.00 8.36 ? 214 THR A N 1 ATOM 1578 C CA . THR A 1 214 ? 20.794 15.235 15.198 1.00 7.83 ? 214 THR A CA 1 ATOM 1579 C C . THR A 1 214 ? 21.079 13.787 15.503 1.00 7.12 ? 214 THR A C 1 ATOM 1580 O O . THR A 1 214 ? 20.730 12.922 14.723 1.00 8.75 ? 214 THR A O 1 ATOM 1581 C CB . THR A 1 214 ? 21.756 15.668 14.054 1.00 8.36 ? 214 THR A CB 1 ATOM 1582 O OG1 . THR A 1 214 ? 23.095 15.636 14.568 1.00 8.24 ? 214 THR A OG1 1 ATOM 1583 C CG2 . THR A 1 214 ? 21.454 17.085 13.563 1.00 8.56 ? 214 THR A CG2 1 ATOM 1584 N N . GLY A 1 215 ? 21.814 13.532 16.580 1.00 7.78 ? 215 GLY A N 1 ATOM 1585 C CA . GLY A 1 215 ? 22.208 12.172 16.948 1.00 7.67 ? 215 GLY A CA 1 ATOM 1586 C C . GLY A 1 215 ? 21.124 11.319 17.585 1.00 8.78 ? 215 GLY A C 1 ATOM 1587 O O . GLY A 1 215 ? 21.308 10.114 17.751 1.00 9.63 ? 215 GLY A O 1 ATOM 1588 N N . THR A 1 216 ? 20.048 11.955 18.048 1.00 8.35 ? 216 THR A N 1 ATOM 1589 C CA . THR A 1 216 ? 18.925 11.235 18.677 1.00 9.14 ? 216 THR A CA 1 ATOM 1590 C C . THR A 1 216 ? 17.761 11.090 17.682 1.00 9.47 ? 216 THR A C 1 ATOM 1591 O O . THR A 1 216 ? 17.356 12.049 17.032 1.00 10.66 ? 216 THR A O 1 ATOM 1592 C CB . THR A 1 216 ? 18.503 11.944 19.979 1.00 10.17 ? 216 THR A CB 1 ATOM 1593 O OG1 . THR A 1 216 ? 19.564 11.815 20.942 1.00 11.63 ? 216 THR A OG1 1 ATOM 1594 C CG2 . THR A 1 216 ? 17.217 11.375 20.521 1.00 9.23 ? 216 THR A CG2 1 ATOM 1595 N N . THR A 1 217 ? 17.257 9.877 17.538 1.00 9.52 ? 217 THR A N 1 ATOM 1596 C CA . THR A 1 217 ? 16.232 9.593 16.540 1.00 9.98 ? 217 THR A CA 1 ATOM 1597 C C . THR A 1 217 ? 14.857 10.253 16.826 1.00 9.80 ? 217 THR A C 1 ATOM 1598 O O . THR A 1 217 ? 14.187 10.733 15.907 1.00 9.22 ? 217 THR A O 1 ATOM 1599 C CB . THR A 1 217 ? 15.997 8.060 16.489 1.00 11.64 ? 217 THR A CB 1 ATOM 1600 O OG1 . THR A 1 217 ? 17.237 7.381 16.294 1.00 12.89 ? 217 THR A OG1 1 ATOM 1601 C CG2 . THR A 1 217 ? 15.075 7.683 15.392 1.00 11.91 ? 217 THR A CG2 1 ATOM 1602 N N . LEU A 1 218 ? 14.433 10.177 18.084 1.00 8.55 ? 218 LEU A N 1 ATOM 1603 C CA . LEU A 1 218 ? 13.108 10.633 18.499 1.00 9.48 ? 218 LEU A CA 1 ATOM 1604 C C . LEU A 1 218 ? 13.073 12.019 19.103 1.00 10.17 ? 218 LEU A C 1 ATOM 1605 O O . LEU A 1 218 ? 14.112 12.644 19.290 1.00 11.19 ? 218 LEU A O 1 ATOM 1606 C CB . LEU A 1 218 ? 12.530 9.638 19.508 1.00 10.30 ? 218 LEU A CB 1 ATOM 1607 C CG . LEU A 1 218 ? 12.533 8.221 18.953 1.00 12.82 ? 218 LEU A CG 1 ATOM 1608 C CD1 . LEU A 1 218 ? 12.052 7.197 19.982 1.00 14.19 ? 218 LEU A CD1 1 ATOM 1609 C CD2 . LEU A 1 218 ? 11.746 8.124 17.650 1.00 14.23 ? 218 LEU A CD2 1 ATOM 1610 N N . LEU A 1 219 ? 11.852 12.488 19.376 1.00 8.24 ? 219 LEU A N 1 ATOM 1611 C CA . LEU A 1 219 ? 11.587 13.764 20.049 1.00 8.48 ? 219 LEU A CA 1 ATOM 1612 C C . LEU A 1 219 ? 11.263 13.339 21.492 1.00 9.46 ? 219 LEU A C 1 ATOM 1613 O O . LEU A 1 219 ? 10.241 12.668 21.733 1.00 10.22 ? 219 LEU A O 1 ATOM 1614 C CB . LEU A 1 219 ? 10.386 14.449 19.378 1.00 9.30 ? 219 LEU A CB 1 ATOM 1615 C CG . LEU A 1 219 ? 9.869 15.729 20.020 1.00 11.01 ? 219 LEU A CG 1 ATOM 1616 C CD1 . LEU A 1 219 ? 11.012 16.720 20.290 1.00 11.60 ? 219 LEU A CD1 1 ATOM 1617 C CD2 . LEU A 1 219 ? 8.810 16.356 19.109 1.00 12.16 ? 219 LEU A CD2 1 ATOM 1618 N N . LEU A 1 220 ? 12.202 13.580 22.404 1.00 8.92 ? 220 LEU A N 1 ATOM 1619 C CA . LEU A 1 220 ? 12.089 13.111 23.804 1.00 9.03 ? 220 LEU A CA 1 ATOM 1620 C C . LEU A 1 220 ? 11.641 14.262 24.696 1.00 9.10 ? 220 LEU A C 1 ATOM 1621 O O . LEU A 1 220 ? 12.349 15.272 24.843 1.00 9.74 ? 220 LEU A O 1 ATOM 1622 C CB . LEU A 1 220 ? 13.425 12.505 24.259 1.00 9.01 ? 220 LEU A CB 1 ATOM 1623 C CG . LEU A 1 220 ? 13.936 11.344 23.403 1.00 10.26 ? 220 LEU A CG 1 ATOM 1624 C CD1 . LEU A 1 220 ? 15.290 10.759 23.937 1.00 11.02 ? 220 LEU A CD1 1 ATOM 1625 C CD2 . LEU A 1 220 ? 12.880 10.248 23.300 1.00 10.46 ? 220 LEU A CD2 1 ATOM 1626 N N . LEU A 1 221 ? 10.492 14.092 25.347 1.00 8.18 ? 221 LEU A N 1 ATOM 1627 C CA . LEU A 1 221 ? 9.922 15.182 26.122 1.00 9.57 ? 221 LEU A CA 1 ATOM 1628 C C . LEU A 1 221 ? 9.583 14.723 27.538 1.00 10.29 ? 221 LEU A C 1 ATOM 1629 O O . LEU A 1 221 ? 9.704 13.539 27.854 1.00 10.40 ? 221 LEU A O 1 ATOM 1630 C CB . LEU A 1 221 ? 8.625 15.655 25.441 1.00 10.58 ? 221 LEU A CB 1 ATOM 1631 C CG . LEU A 1 221 ? 8.713 16.198 23.997 1.00 11.85 ? 221 LEU A CG 1 ATOM 1632 C CD1 . LEU A 1 221 ? 7.306 16.395 23.421 1.00 11.71 ? 221 LEU A CD1 1 ATOM 1633 C CD2 . LEU A 1 221 ? 9.501 17.516 23.926 1.00 12.52 ? 221 LEU A CD2 1 ATOM 1634 N N . ASP A 1 222 ? 9.163 15.673 28.376 1.00 10.30 ? 222 ASP A N 1 ATOM 1635 C CA . ASP A 1 222 ? 8.759 15.337 29.733 1.00 11.99 ? 222 ASP A CA 1 ATOM 1636 C C . ASP A 1 222 ? 7.600 14.333 29.715 1.00 12.25 ? 222 ASP A C 1 ATOM 1637 O O . ASP A 1 222 ? 6.736 14.381 28.834 1.00 12.09 ? 222 ASP A O 1 ATOM 1638 C CB . ASP A 1 222 ? 8.315 16.586 30.489 1.00 14.18 ? 222 ASP A CB 1 ATOM 1639 C CG . ASP A 1 222 ? 9.471 17.398 31.008 1.00 17.38 ? 222 ASP A CG 1 ATOM 1640 O OD1 . ASP A 1 222 ? 10.628 16.941 30.913 1.00 19.03 ? 222 ASP A OD1 1 ATOM 1641 O OD2 . ASP A 1 222 ? 9.222 18.494 31.537 0.51 17.42 ? 222 ASP A OD2 1 ATOM 1642 N N . ASP A 1 223 ? 7.571 13.453 30.717 1.00 12.06 ? 223 ASP A N 1 ATOM 1643 C CA . ASP A 1 223 ? 6.513 12.459 30.852 1.00 13.69 ? 223 ASP A CA 1 ATOM 1644 C C . ASP A 1 223 ? 5.116 13.116 30.818 1.00 13.68 ? 223 ASP A C 1 ATOM 1645 O O . ASP A 1 223 ? 4.158 12.528 30.315 1.00 13.57 ? 223 ASP A O 1 ATOM 1646 C CB . ASP A 1 223 ? 6.661 11.758 32.211 1.00 16.13 ? 223 ASP A CB 1 ATOM 1647 C CG . ASP A 1 223 ? 7.868 10.817 32.270 1.00 20.57 ? 223 ASP A CG 1 ATOM 1648 O OD1 . ASP A 1 223 ? 8.277 10.344 31.190 1.00 22.38 ? 223 ASP A OD1 1 ATOM 1649 O OD2 . ASP A 1 223 ? 8.375 10.507 33.391 1.00 20.95 ? 223 ASP A OD2 1 ATOM 1650 N N . SER A 1 224 ? 4.985 14.296 31.417 1.00 14.47 ? 224 SER A N 1 ATOM 1651 C CA . SER A 1 224 ? 3.671 14.956 31.463 1.00 16.15 ? 224 SER A CA 1 ATOM 1652 C C . SER A 1 224 ? 3.222 15.342 30.064 1.00 15.74 ? 224 SER A C 1 ATOM 1653 O O . SER A 1 224 ? 2.063 15.175 29.705 1.00 16.27 ? 224 SER A O 1 ATOM 1654 C CB . SER A 1 224 ? 3.700 16.201 32.364 1.00 19.17 ? 224 SER A CB 1 ATOM 1655 O OG . SER A 1 224 ? 4.642 17.164 31.898 1.00 21.98 ? 224 SER A OG 1 ATOM 1656 N N . VAL A 1 225 ? 4.149 15.863 29.258 1.00 14.07 ? 225 VAL A N 1 ATOM 1657 C CA . VAL A 1 225 ? 3.818 16.238 27.870 1.00 13.08 ? 225 VAL A CA 1 ATOM 1658 C C . VAL A 1 225 ? 3.540 14.988 27.035 1.00 12.56 ? 225 VAL A C 1 ATOM 1659 O O . VAL A 1 225 ? 2.586 14.943 26.225 1.00 12.86 ? 225 VAL A O 1 ATOM 1660 C CB . VAL A 1 225 ? 4.941 17.048 27.241 1.00 13.81 ? 225 VAL A CB 1 ATOM 1661 C CG1 . VAL A 1 225 ? 4.549 17.490 25.827 1.00 13.90 ? 225 VAL A CG1 1 ATOM 1662 C CG2 . VAL A 1 225 ? 5.245 18.252 28.135 1.00 14.22 ? 225 VAL A CG2 1 ATOM 1663 N N . VAL A 1 226 ? 4.334 13.941 27.245 1.00 11.00 ? 226 VAL A N 1 ATOM 1664 C CA . VAL A 1 226 ? 4.078 12.709 26.517 1.00 11.41 ? 226 VAL A CA 1 ATOM 1665 C C . VAL A 1 226 ? 2.651 12.195 26.813 1.00 13.39 ? 226 VAL A C 1 ATOM 1666 O O . VAL A 1 226 ? 1.907 11.823 25.895 1.00 12.94 ? 226 VAL A O 1 ATOM 1667 C CB . VAL A 1 226 ? 5.127 11.651 26.878 1.00 12.06 ? 226 VAL A CB 1 ATOM 1668 C CG1 . VAL A 1 226 ? 4.833 10.310 26.205 1.00 11.53 ? 226 VAL A CG1 1 ATOM 1669 C CG2 . VAL A 1 226 ? 6.514 12.184 26.503 1.00 12.33 ? 226 VAL A CG2 1 ATOM 1670 N N . SER A 1 227 ? 2.271 12.186 28.092 1.00 14.53 ? 227 SER A N 1 ATOM 1671 C CA . SER A 1 227 ? 0.939 11.693 28.465 1.00 16.35 ? 227 SER A CA 1 ATOM 1672 C C . SER A 1 227 ? -0.146 12.537 27.818 1.00 16.10 ? 227 SER A C 1 ATOM 1673 O O . SER A 1 227 ? -1.143 12.000 27.314 1.00 16.64 ? 227 SER A O 1 ATOM 1674 C CB . SER A 1 227 ? 0.758 11.705 29.990 1.00 18.25 ? 227 SER A CB 1 ATOM 1675 O OG . SER A 1 227 ? 1.459 10.628 30.583 1.00 21.13 ? 227 SER A OG 1 ATOM 1676 N N . GLN A 1 228 ? 0.042 13.853 27.851 1.00 15.95 ? 228 GLN A N 1 ATOM 1677 C CA . GLN A 1 228 ? -0.932 14.760 27.240 1.00 17.39 ? 228 GLN A CA 1 ATOM 1678 C C . GLN A 1 228 ? -1.127 14.451 25.776 1.00 16.76 ? 228 GLN A C 1 ATOM 1679 O O . GLN A 1 228 ? -2.255 14.481 25.261 1.00 16.86 ? 228 GLN A O 1 ATOM 1680 C CB . GLN A 1 228 ? -0.468 16.203 27.283 1.00 20.35 ? 228 GLN A CB 1 ATOM 1681 C CG . GLN A 1 228 ? -0.589 16.898 28.577 1.00 24.40 ? 228 GLN A CG 1 ATOM 1682 C CD . GLN A 1 228 ? -0.410 18.396 28.395 1.00 27.90 ? 228 GLN A CD 1 ATOM 1683 O OE1 . GLN A 1 228 ? -1.032 19.196 29.100 1.00 31.40 ? 228 GLN A OE1 1 ATOM 1684 N NE2 . GLN A 1 228 ? 0.399 18.782 27.427 1.00 27.50 ? 228 GLN A NE2 1 ATOM 1685 N N . TYR A 1 229 ? -0.006 14.241 25.082 1.00 13.71 ? 229 TYR A N 1 ATOM 1686 C CA . TYR A 1 229 ? -0.060 13.962 23.662 1.00 12.43 ? 229 TYR A CA 1 ATOM 1687 C C . TYR A 1 229 ? -0.796 12.651 23.363 1.00 12.47 ? 229 TYR A C 1 ATOM 1688 O O . TYR A 1 229 ? -1.729 12.632 22.578 1.00 12.67 ? 229 TYR A O 1 ATOM 1689 C CB . TYR A 1 229 ? 1.367 13.933 23.062 1.00 11.98 ? 229 TYR A CB 1 ATOM 1690 C CG . TYR A 1 229 ? 1.349 13.761 21.567 1.00 12.19 ? 229 TYR A CG 1 ATOM 1691 C CD1 . TYR A 1 229 ? 1.182 14.876 20.714 1.00 12.07 ? 229 TYR A CD1 1 ATOM 1692 C CD2 . TYR A 1 229 ? 1.467 12.497 20.995 1.00 12.09 ? 229 TYR A CD2 1 ATOM 1693 C CE1 . TYR A 1 229 ? 1.082 14.720 19.336 1.00 11.99 ? 229 TYR A CE1 1 ATOM 1694 C CE2 . TYR A 1 229 ? 1.419 12.331 19.618 1.00 11.76 ? 229 TYR A CE2 1 ATOM 1695 C CZ . TYR A 1 229 ? 1.185 13.444 18.787 1.00 12.06 ? 229 TYR A CZ 1 ATOM 1696 O OH . TYR A 1 229 ? 1.117 13.267 17.427 1.00 11.85 ? 229 TYR A OH 1 ATOM 1697 N N . TYR A 1 230 ? -0.377 11.552 23.981 1.00 12.48 ? 230 TYR A N 1 ATOM 1698 C CA . TYR A 1 230 ? -1.000 10.282 23.666 1.00 12.90 ? 230 TYR A CA 1 ATOM 1699 C C . TYR A 1 230 ? -2.426 10.090 24.189 1.00 13.49 ? 230 TYR A C 1 ATOM 1700 O O . TYR A 1 230 ? -3.120 9.184 23.742 1.00 13.67 ? 230 TYR A O 1 ATOM 1701 C CB . TYR A 1 230 ? -0.098 9.118 24.008 1.00 12.82 ? 230 TYR A CB 1 ATOM 1702 C CG . TYR A 1 230 ? 1.123 9.115 23.113 1.00 13.17 ? 230 TYR A CG 1 ATOM 1703 C CD1 . TYR A 1 230 ? 1.010 8.744 21.792 1.00 13.00 ? 230 TYR A CD1 1 ATOM 1704 C CD2 . TYR A 1 230 ? 2.381 9.467 23.604 1.00 12.95 ? 230 TYR A CD2 1 ATOM 1705 C CE1 . TYR A 1 230 ? 2.117 8.733 20.953 1.00 13.29 ? 230 TYR A CE1 1 ATOM 1706 C CE2 . TYR A 1 230 ? 3.510 9.430 22.767 1.00 13.21 ? 230 TYR A CE2 1 ATOM 1707 C CZ . TYR A 1 230 ? 3.356 9.114 21.429 1.00 12.86 ? 230 TYR A CZ 1 ATOM 1708 O OH . TYR A 1 230 ? 4.449 9.114 20.548 1.00 11.74 ? 230 TYR A OH 1 ATOM 1709 N N . SER A 1 231 ? -2.834 10.927 25.134 1.00 14.77 ? 231 SER A N 1 ATOM 1710 C CA . SER A 1 231 ? -4.207 10.846 25.642 1.00 17.22 ? 231 SER A CA 1 ATOM 1711 C C . SER A 1 231 ? -5.154 11.173 24.478 1.00 18.76 ? 231 SER A C 1 ATOM 1712 O O . SER A 1 231 ? -6.339 10.820 24.500 1.00 19.57 ? 231 SER A O 1 ATOM 1713 C CB . SER A 1 231 ? -4.427 11.835 26.790 1.00 18.16 ? 231 SER A CB 1 ATOM 1714 O OG . SER A 1 231 ? -4.393 13.193 26.354 1.00 19.48 ? 231 SER A OG 1 ATOM 1715 N N . GLN A 1 232 ? -4.633 11.870 23.472 1.00 18.08 ? 232 GLN A N 1 ATOM 1716 C CA . GLN A 1 232 ? -5.407 12.255 22.298 1.00 18.86 ? 232 GLN A CA 1 ATOM 1717 C C . GLN A 1 232 ? -5.366 11.267 21.129 1.00 20.17 ? 232 GLN A C 1 ATOM 1718 O O . GLN A 1 232 ? -5.931 11.518 20.066 1.00 21.24 ? 232 GLN A O 1 ATOM 1719 C CB . GLN A 1 232 ? -4.941 13.627 21.840 1.00 18.63 ? 232 GLN A CB 1 ATOM 1720 C CG . GLN A 1 232 ? -5.049 14.624 22.949 1.00 18.36 ? 232 GLN A CG 1 ATOM 1721 C CD . GLN A 1 232 ? -4.534 15.975 22.569 1.00 19.35 ? 232 GLN A CD 1 ATOM 1722 O OE1 . GLN A 1 232 ? -4.906 16.541 21.535 1.00 20.04 ? 232 GLN A OE1 1 ATOM 1723 N NE2 . GLN A 1 232 ? -3.550 16.431 23.312 1.00 19.34 ? 232 GLN A NE2 1 ATOM 1724 N N . VAL A 1 233 ? -4.565 10.221 21.265 1.00 20.29 ? 233 VAL A N 1 ATOM 1725 C CA . VAL A 1 233 ? -4.412 9.244 20.204 1.00 20.93 ? 233 VAL A CA 1 ATOM 1726 C C . VAL A 1 233 ? -5.216 8.019 20.547 1.00 22.58 ? 233 VAL A C 1 ATOM 1727 O O . VAL A 1 233 ? -4.908 7.304 21.495 1.00 20.96 ? 233 VAL A O 1 ATOM 1728 C CB . VAL A 1 233 ? -2.948 8.870 20.047 1.00 20.66 ? 233 VAL A CB 1 ATOM 1729 C CG1 . VAL A 1 233 ? -2.780 7.795 18.969 1.00 20.67 ? 233 VAL A CG1 1 ATOM 1730 C CG2 . VAL A 1 233 ? -2.157 10.134 19.697 1.00 21.17 ? 233 VAL A CG2 1 ATOM 1731 N N . SER A 1 234 ? -6.241 7.758 19.757 1.00 26.13 ? 234 SER A N 1 ATOM 1732 C CA . SER A 1 234 ? -7.096 6.643 20.075 1.00 28.82 ? 234 SER A CA 1 ATOM 1733 C C . SER A 1 234 ? -6.353 5.324 20.022 1.00 28.04 ? 234 SER A C 1 ATOM 1734 O O . SER A 1 234 ? -5.745 4.986 19.012 1.00 28.93 ? 234 SER A O 1 ATOM 1735 C CB . SER A 1 234 ? -8.321 6.615 19.171 1.00 32.08 ? 234 SER A CB 1 ATOM 1736 O OG . SER A 1 234 ? -9.298 5.762 19.745 1.00 34.06 ? 234 SER A OG 1 ATOM 1737 N N . GLY A 1 235 ? -6.456 4.570 21.106 1.00 27.51 ? 235 GLY A N 1 ATOM 1738 C CA . GLY A 1 235 ? -5.824 3.260 21.208 1.00 27.55 ? 235 GLY A CA 1 ATOM 1739 C C . GLY A 1 235 ? -4.337 3.249 21.596 1.00 26.34 ? 235 GLY A C 1 ATOM 1740 O O . GLY A 1 235 ? -3.769 2.184 21.763 1.00 26.31 ? 235 GLY A O 1 ATOM 1741 N N . ALA A 1 236 ? -3.716 4.413 21.753 1.00 25.13 ? 236 ALA A N 1 ATOM 1742 C CA . ALA A 1 236 ? -2.293 4.445 22.100 1.00 24.98 ? 236 ALA A CA 1 ATOM 1743 C C . ALA A 1 236 ? -2.057 3.667 23.386 1.00 25.51 ? 236 ALA A C 1 ATOM 1744 O O . ALA A 1 236 ? -2.827 3.784 24.320 1.00 26.89 ? 236 ALA A O 1 ATOM 1745 C CB . ALA A 1 236 ? -1.787 5.872 22.240 1.00 23.96 ? 236 ALA A CB 1 ATOM 1746 N N . GLN A 1 237 ? -0.941 2.947 23.462 1.00 24.29 ? 237 GLN A N 1 ATOM 1747 C CA . GLN A 1 237 ? -0.616 2.124 24.630 1.00 24.28 ? 237 GLN A CA 1 ATOM 1748 C C . GLN A 1 237 ? 0.897 1.961 24.664 1.00 19.59 ? 237 GLN A C 1 ATOM 1749 O O . GLN A 1 237 ? 1.515 1.904 23.614 1.00 16.90 ? 237 GLN A O 1 ATOM 1750 C CB . GLN A 1 237 ? -1.173 0.709 24.372 1.00 28.69 ? 237 GLN A CB 1 ATOM 1751 C CG . GLN A 1 237 ? -0.827 0.267 22.918 1.00 32.97 ? 237 GLN A CG 1 ATOM 1752 C CD . GLN A 1 237 ? -0.919 -1.236 22.636 1.00 36.84 ? 237 GLN A CD 1 ATOM 1753 O OE1 . GLN A 1 237 ? -0.322 -2.064 23.342 1.00 38.59 ? 237 GLN A OE1 1 ATOM 1754 N NE2 . GLN A 1 237 ? -1.608 -1.585 21.550 1.00 37.82 ? 237 GLN A NE2 1 ATOM 1755 N N . GLN A 1 238 ? 1.470 1.815 25.855 1.00 18.23 ? 238 GLN A N 1 ATOM 1756 C CA . GLN A 1 238 ? 2.886 1.553 25.947 1.00 18.13 ? 238 GLN A CA 1 ATOM 1757 C C . GLN A 1 238 ? 3.159 0.112 25.617 1.00 16.88 ? 238 GLN A C 1 ATOM 1758 O O . GLN A 1 238 ? 2.372 -0.760 25.955 1.00 17.30 ? 238 GLN A O 1 ATOM 1759 C CB . GLN A 1 238 ? 3.416 1.880 27.299 1.00 20.77 ? 238 GLN A CB 1 ATOM 1760 C CG . GLN A 1 238 ? 3.340 3.343 27.529 1.00 24.70 ? 238 GLN A CG 1 ATOM 1761 C CD . GLN A 1 238 ? 4.414 3.789 28.449 1.00 28.75 ? 238 GLN A CD 1 ATOM 1762 O OE1 . GLN A 1 238 ? 4.184 4.634 29.305 1.00 30.79 ? 238 GLN A OE1 1 ATOM 1763 N NE2 . GLN A 1 238 ? 5.639 3.300 28.218 1.00 30.12 ? 238 GLN A NE2 1 ATOM 1764 N N . ASP A 1 239 ? 4.282 -0.145 24.959 1.00 14.96 ? 239 ASP A N 1 ATOM 1765 C CA . ASP A 1 239 ? 4.648 -1.515 24.600 1.00 14.28 ? 239 ASP A CA 1 ATOM 1766 C C . ASP A 1 239 ? 6.176 -1.568 24.734 1.00 14.37 ? 239 ASP A C 1 ATOM 1767 O O . ASP A 1 239 ? 6.911 -1.021 23.903 1.00 14.46 ? 239 ASP A O 1 ATOM 1768 C CB . ASP A 1 239 ? 4.181 -1.816 23.167 1.00 14.82 ? 239 ASP A CB 1 ATOM 1769 C CG . ASP A 1 239 ? 4.596 -3.192 22.682 1.00 17.32 ? 239 ASP A CG 1 ATOM 1770 O OD1 . ASP A 1 239 ? 5.430 -3.845 23.339 1.00 17.23 ? 239 ASP A OD1 1 ATOM 1771 O OD2 . ASP A 1 239 ? 4.109 -3.600 21.591 1.00 19.05 ? 239 ASP A OD2 1 ATOM 1772 N N . SER A 1 240 ? 6.637 -2.179 25.820 1.00 13.90 ? 240 SER A N 1 ATOM 1773 C CA . SER A 1 240 ? 8.052 -2.250 26.081 1.00 16.40 ? 240 SER A CA 1 ATOM 1774 C C . SER A 1 240 ? 8.790 -3.022 24.981 1.00 18.60 ? 240 SER A C 1 ATOM 1775 O O . SER A 1 240 ? 9.998 -2.819 24.796 1.00 19.88 ? 240 SER A O 1 ATOM 1776 C CB . SER A 1 240 ? 8.319 -2.859 27.473 1.00 16.66 ? 240 SER A CB 1 ATOM 1777 O OG . SER A 1 240 ? 7.765 -4.163 27.577 1.00 16.64 ? 240 SER A OG 1 ATOM 1778 N N . ASN A 1 241 ? 8.090 -3.907 24.267 1.00 18.79 ? 241 ASN A N 1 ATOM 1779 C CA . ASN A 1 241 ? 8.726 -4.636 23.170 1.00 19.69 ? 241 ASN A CA 1 ATOM 1780 C C . ASN A 1 241 ? 9.140 -3.631 22.089 1.00 21.16 ? 241 ASN A C 1 ATOM 1781 O O . ASN A 1 241 ? 10.153 -3.818 21.405 1.00 22.24 ? 241 ASN A O 1 ATOM 1782 C CB . ASN A 1 241 ? 7.756 -5.627 22.553 1.00 19.64 ? 241 ASN A CB 1 ATOM 1783 C CG . ASN A 1 241 ? 7.373 -6.728 23.506 1.00 21.41 ? 241 ASN A CG 1 ATOM 1784 O OD1 . ASN A 1 241 ? 8.168 -7.151 24.347 1.00 21.85 ? 241 ASN A OD1 1 ATOM 1785 N ND2 . ASN A 1 241 ? 6.138 -7.189 23.395 1.00 22.13 ? 241 ASN A ND2 1 ATOM 1786 N N . ALA A 1 242 ? 8.324 -2.601 21.891 1.00 20.42 ? 242 ALA A N 1 ATOM 1787 C CA . ALA A 1 242 ? 8.600 -1.586 20.878 1.00 20.28 ? 242 ALA A CA 1 ATOM 1788 C C . ALA A 1 242 ? 9.410 -0.415 21.413 1.00 20.84 ? 242 ALA A C 1 ATOM 1789 O O . ALA A 1 242 ? 10.033 0.305 20.654 1.00 22.68 ? 242 ALA A O 1 ATOM 1790 C CB . ALA A 1 242 ? 7.314 -1.097 20.241 1.00 19.83 ? 242 ALA A CB 1 ATOM 1791 N N . GLY A 1 243 ? 9.437 -0.237 22.726 1.00 19.63 ? 243 GLY A N 1 ATOM 1792 C CA . GLY A 1 243 ? 10.195 0.873 23.301 1.00 18.54 ? 243 GLY A CA 1 ATOM 1793 C C . GLY A 1 243 ? 9.401 2.112 23.707 1.00 17.95 ? 243 GLY A C 1 ATOM 1794 O O . GLY A 1 243 ? 9.974 3.177 23.989 1.00 20.01 ? 243 GLY A O 1 ATOM 1795 N N . GLY A 1 244 ? 8.084 2.013 23.746 1.00 15.00 ? 244 GLY A N 1 ATOM 1796 C CA . GLY A 1 244 ? 7.322 3.183 24.137 1.00 13.86 ? 244 GLY A CA 1 ATOM 1797 C C . GLY A 1 244 ? 5.889 3.074 23.649 1.00 14.19 ? 244 GLY A C 1 ATOM 1798 O O . GLY A 1 244 ? 5.392 1.982 23.391 1.00 14.08 ? 244 GLY A O 1 ATOM 1799 N N . TYR A 1 245 ? 5.247 4.224 23.496 1.00 13.62 ? 245 TYR A N 1 ATOM 1800 C CA . TYR A 1 245 ? 3.885 4.268 23.012 1.00 15.26 ? 245 TYR A CA 1 ATOM 1801 C C . TYR A 1 245 ? 3.797 3.846 21.572 1.00 14.44 ? 245 TYR A C 1 ATOM 1802 O O . TYR A 1 245 ? 4.515 4.359 20.731 1.00 14.78 ? 245 TYR A O 1 ATOM 1803 C CB . TYR A 1 245 ? 3.325 5.692 23.126 1.00 17.03 ? 245 TYR A CB 1 ATOM 1804 C CG . TYR A 1 245 ? 2.962 6.083 24.526 1.00 19.06 ? 245 TYR A CG 1 ATOM 1805 C CD1 . TYR A 1 245 ? 1.687 5.818 25.025 1.00 20.69 ? 245 TYR A CD1 1 ATOM 1806 C CD2 . TYR A 1 245 ? 3.900 6.672 25.372 1.00 20.18 ? 245 TYR A CD2 1 ATOM 1807 C CE1 . TYR A 1 245 ? 1.362 6.141 26.338 1.00 22.42 ? 245 TYR A CE1 1 ATOM 1808 C CE2 . TYR A 1 245 ? 3.592 7.005 26.680 1.00 21.35 ? 245 TYR A CE2 1 ATOM 1809 C CZ . TYR A 1 245 ? 2.331 6.726 27.160 1.00 23.52 ? 245 TYR A CZ 1 ATOM 1810 O OH . TYR A 1 245 ? 2.019 7.086 28.456 1.00 26.51 ? 245 TYR A OH 1 ATOM 1811 N N . VAL A 1 246 ? 2.801 3.035 21.270 1.00 13.59 ? 246 VAL A N 1 ATOM 1812 C CA . VAL A 1 246 ? 2.549 2.574 19.919 1.00 13.58 ? 246 VAL A CA 1 ATOM 1813 C C . VAL A 1 246 ? 1.042 2.782 19.703 1.00 14.58 ? 246 VAL A C 1 ATOM 1814 O O . VAL A 1 246 ? 0.331 3.032 20.666 1.00 14.87 ? 246 VAL A O 1 ATOM 1815 C CB . VAL A 1 246 ? 2.899 1.091 19.737 1.00 12.69 ? 246 VAL A CB 1 ATOM 1816 C CG1 . VAL A 1 246 ? 4.335 0.865 20.100 1.00 12.15 ? 246 VAL A CG1 1 ATOM 1817 C CG2 . VAL A 1 246 ? 1.966 0.172 20.596 1.00 12.45 ? 246 VAL A CG2 1 ATOM 1818 N N . PHE A 1 247 ? 0.594 2.683 18.450 1.00 15.24 ? 247 PHE A N 1 ATOM 1819 C CA . PHE A 1 247 ? -0.808 2.881 18.089 1.00 17.26 ? 247 PHE A CA 1 ATOM 1820 C C . PHE A 1 247 ? -1.012 2.306 16.695 1.00 19.82 ? 247 PHE A C 1 ATOM 1821 O O . PHE A 1 247 ? -0.041 1.936 16.027 1.00 18.58 ? 247 PHE A O 1 ATOM 1822 C CB . PHE A 1 247 ? -1.143 4.364 18.069 1.00 16.57 ? 247 PHE A CB 1 ATOM 1823 C CG . PHE A 1 247 ? -0.073 5.188 17.427 1.00 17.93 ? 247 PHE A CG 1 ATOM 1824 C CD1 . PHE A 1 247 ? 0.097 5.190 16.060 1.00 18.48 ? 247 PHE A CD1 1 ATOM 1825 C CD2 . PHE A 1 247 ? 0.839 5.875 18.206 1.00 19.08 ? 247 PHE A CD2 1 ATOM 1826 C CE1 . PHE A 1 247 ? 1.164 5.894 15.475 1.00 19.01 ? 247 PHE A CE1 1 ATOM 1827 C CE2 . PHE A 1 247 ? 1.906 6.552 17.630 1.00 18.60 ? 247 PHE A CE2 1 ATOM 1828 C CZ . PHE A 1 247 ? 2.061 6.565 16.270 1.00 18.00 ? 247 PHE A CZ 1 ATOM 1829 N N . ASP A 1 248 ? -2.274 2.168 16.281 1.00 22.40 ? 248 ASP A N 1 ATOM 1830 C CA . ASP A 1 248 ? -2.561 1.619 14.957 1.00 24.99 ? 248 ASP A CA 1 ATOM 1831 C C . ASP A 1 248 ? -1.986 2.539 13.892 1.00 22.62 ? 248 ASP A C 1 ATOM 1832 O O . ASP A 1 248 ? -2.147 3.754 13.961 1.00 21.63 ? 248 ASP A O 1 ATOM 1833 C CB . ASP A 1 248 ? -4.064 1.362 14.738 1.00 29.90 ? 248 ASP A CB 1 ATOM 1834 C CG . ASP A 1 248 ? -4.350 0.672 13.387 1.00 34.65 ? 248 ASP A CG 1 ATOM 1835 O OD1 . ASP A 1 248 ? -4.319 1.365 12.334 1.00 35.76 ? 248 ASP A OD1 1 ATOM 1836 O OD2 . ASP A 1 248 ? -4.464 -0.592 13.360 1.00 36.94 ? 248 ASP A OD2 1 ATOM 1837 N N . CYS A 1 249 ? -1.305 1.953 12.915 1.00 22.12 ? 249 CYS A N 1 ATOM 1838 C CA . CYS A 1 249 ? -0.659 2.735 11.887 1.00 21.93 ? 249 CYS A CA 1 ATOM 1839 C C . CYS A 1 249 ? -1.562 3.687 11.116 1.00 22.66 ? 249 CYS A C 1 ATOM 1840 O O . CYS A 1 249 ? -1.081 4.661 10.543 1.00 22.79 ? 249 CYS A O 1 ATOM 1841 C CB . CYS A 1 249 ? 0.143 1.846 10.951 1.00 22.19 ? 249 CYS A CB 1 ATOM 1842 S SG . CYS A 1 249 ? 1.552 0.964 11.717 1.00 21.96 ? 249 CYS A SG 1 ATOM 1843 N N . SER A 1 250 ? -2.859 3.402 11.088 1.00 22.24 ? 250 SER A N 1 ATOM 1844 C CA . SER A 1 250 ? -3.805 4.238 10.363 1.00 23.21 ? 250 SER A CA 1 ATOM 1845 C C . SER A 1 250 ? -4.283 5.457 11.140 1.00 24.64 ? 250 SER A C 1 ATOM 1846 O O . SER A 1 250 ? -4.961 6.320 10.599 1.00 25.18 ? 250 SER A O 1 ATOM 1847 C CB . SER A 1 250 ? -5.003 3.414 9.876 1.00 22.94 ? 250 SER A CB 1 ATOM 1848 O OG . SER A 1 250 ? -5.715 2.868 10.962 0.47 22.66 ? 250 SER A OG 1 ATOM 1849 N N . THR A 1 251 ? -3.922 5.536 12.406 1.00 25.61 ? 251 THR A N 1 ATOM 1850 C CA . THR A 1 251 ? -4.350 6.639 13.263 1.00 26.87 ? 251 THR A CA 1 ATOM 1851 C C . THR A 1 251 ? -4.029 8.047 12.805 1.00 26.99 ? 251 THR A C 1 ATOM 1852 O O . THR A 1 251 ? -2.980 8.299 12.243 1.00 27.35 ? 251 THR A O 1 ATOM 1853 C CB . THR A 1 251 ? -3.727 6.504 14.629 1.00 28.14 ? 251 THR A CB 1 ATOM 1854 O OG1 . THR A 1 251 ? -4.132 5.257 15.193 1.00 29.27 ? 251 THR A OG1 1 ATOM 1855 C CG2 . THR A 1 251 ? -4.184 7.617 15.494 1.00 28.69 ? 251 THR A CG2 1 ATOM 1856 N N . ASN A 1 252 ? -4.933 8.973 13.087 1.00 27.71 ? 252 ASN A N 1 ATOM 1857 C CA . ASN A 1 252 ? -4.707 10.370 12.761 1.00 29.45 ? 252 ASN A CA 1 ATOM 1858 C C . ASN A 1 252 ? -3.975 10.963 13.958 1.00 27.30 ? 252 ASN A C 1 ATOM 1859 O O . ASN A 1 252 ? -4.545 11.040 15.040 1.00 29.32 ? 252 ASN A O 1 ATOM 1860 C CB . ASN A 1 252 ? -6.056 11.079 12.616 1.00 33.29 ? 252 ASN A CB 1 ATOM 1861 C CG . ASN A 1 252 ? -6.954 10.419 11.564 1.00 36.07 ? 252 ASN A CG 1 ATOM 1862 O OD1 . ASN A 1 252 ? -8.113 10.085 11.833 1.00 36.47 ? 252 ASN A OD1 1 ATOM 1863 N ND2 . ASN A 1 252 ? -6.416 10.245 10.350 1.00 37.05 ? 252 ASN A ND2 1 ATOM 1864 N N . LEU A 1 253 ? -2.716 11.360 13.787 1.00 22.88 ? 253 LEU A N 1 ATOM 1865 C CA . LEU A 1 253 ? -1.949 11.938 14.894 1.00 18.44 ? 253 LEU A CA 1 ATOM 1866 C C . LEU A 1 253 ? -2.058 13.460 14.890 1.00 16.62 ? 253 LEU A C 1 ATOM 1867 O O . LEU A 1 253 ? -1.949 14.085 13.844 1.00 16.40 ? 253 LEU A O 1 ATOM 1868 C CB . LEU A 1 253 ? -0.468 11.551 14.764 1.00 18.08 ? 253 LEU A CB 1 ATOM 1869 C CG . LEU A 1 253 ? -0.115 10.061 14.859 1.00 18.31 ? 253 LEU A CG 1 ATOM 1870 C CD1 . LEU A 1 253 ? 1.386 9.891 14.629 1.00 18.99 ? 253 LEU A CD1 1 ATOM 1871 C CD2 . LEU A 1 253 ? -0.487 9.506 16.224 1.00 17.99 ? 253 LEU A CD2 1 ATOM 1872 N N . PRO A 1 254 ? -2.187 14.066 16.060 1.00 15.34 ? 254 PRO A N 1 ATOM 1873 C CA . PRO A 1 254 ? -2.264 15.517 16.137 1.00 14.89 ? 254 PRO A CA 1 ATOM 1874 C C . PRO A 1 254 ? -0.884 16.096 15.900 1.00 14.15 ? 254 PRO A C 1 ATOM 1875 O O . PRO A 1 254 ? 0.131 15.410 16.056 1.00 14.05 ? 254 PRO A O 1 ATOM 1876 C CB . PRO A 1 254 ? -2.659 15.790 17.590 1.00 15.33 ? 254 PRO A CB 1 ATOM 1877 C CG . PRO A 1 254 ? -3.045 14.472 18.160 1.00 16.34 ? 254 PRO A CG 1 ATOM 1878 C CD . PRO A 1 254 ? -2.485 13.397 17.329 1.00 15.59 ? 254 PRO A CD 1 ATOM 1879 N N . ASP A 1 255 ? -0.843 17.370 15.551 1.00 13.38 ? 255 ASP A N 1 ATOM 1880 C CA . ASP A 1 255 ? 0.429 18.037 15.375 1.00 13.33 ? 255 ASP A CA 1 ATOM 1881 C C . ASP A 1 255 ? 1.022 18.337 16.752 1.00 13.09 ? 255 ASP A C 1 ATOM 1882 O O . ASP A 1 255 ? 0.313 18.317 17.763 1.00 12.89 ? 255 ASP A O 1 ATOM 1883 C CB . ASP A 1 255 ? 0.227 19.361 14.669 1.00 14.13 ? 255 ASP A CB 1 ATOM 1884 C CG . ASP A 1 255 ? -0.345 19.206 13.275 1.00 17.07 ? 255 ASP A CG 1 ATOM 1885 O OD1 . ASP A 1 255 ? -0.257 18.111 12.657 1.00 15.41 ? 255 ASP A OD1 1 ATOM 1886 O OD2 . ASP A 1 255 ? -0.874 20.228 12.784 1.00 19.99 ? 255 ASP A OD2 1 ATOM 1887 N N . PHE A 1 256 ? 2.295 18.732 16.746 1.00 11.37 ? 256 PHE A N 1 ATOM 1888 C CA . PHE A 1 256 ? 3.011 19.156 17.932 1.00 10.96 ? 256 PHE A CA 1 ATOM 1889 C C . PHE A 1 256 ? 3.772 20.407 17.528 1.00 11.05 ? 256 PHE A C 1 ATOM 1890 O O . PHE A 1 256 ? 4.497 20.378 16.538 1.00 12.51 ? 256 PHE A O 1 ATOM 1891 C CB . PHE A 1 256 ? 4.030 18.103 18.340 1.00 11.14 ? 256 PHE A CB 1 ATOM 1892 C CG . PHE A 1 256 ? 4.805 18.496 19.547 1.00 11.48 ? 256 PHE A CG 1 ATOM 1893 C CD1 . PHE A 1 256 ? 4.246 18.365 20.806 1.00 12.10 ? 256 PHE A CD1 1 ATOM 1894 C CD2 . PHE A 1 256 ? 6.047 19.062 19.422 1.00 12.63 ? 256 PHE A CD2 1 ATOM 1895 C CE1 . PHE A 1 256 ? 4.912 18.826 21.940 1.00 13.61 ? 256 PHE A CE1 1 ATOM 1896 C CE2 . PHE A 1 256 ? 6.742 19.509 20.551 1.00 13.61 ? 256 PHE A CE2 1 ATOM 1897 C CZ . PHE A 1 256 ? 6.176 19.384 21.810 1.00 13.50 ? 256 PHE A CZ 1 ATOM 1898 N N . SER A 1 257 ? 3.657 21.481 18.305 1.00 8.77 ? 257 SER A N 1 ATOM 1899 C CA . SER A 1 257 ? 4.319 22.742 17.979 1.00 9.24 ? 257 SER A CA 1 ATOM 1900 C C . SER A 1 257 ? 4.995 23.320 19.211 1.00 10.12 ? 257 SER A C 1 ATOM 1901 O O . SER A 1 257 ? 4.539 23.093 20.326 1.00 9.91 ? 257 SER A O 1 ATOM 1902 C CB . SER A 1 257 ? 3.247 23.784 17.542 1.00 10.38 ? 257 SER A CB 1 ATOM 1903 O OG . SER A 1 257 ? 2.543 23.293 16.426 0.40 10.46 ? 257 SER A OG 1 ATOM 1904 N N . VAL A 1 258 ? 6.004 24.169 19.006 1.00 10.54 ? 258 VAL A N 1 ATOM 1905 C CA . VAL A 1 258 ? 6.633 24.873 20.132 1.00 10.62 ? 258 VAL A CA 1 ATOM 1906 C C . VAL A 1 258 ? 6.868 26.283 19.658 1.00 11.79 ? 258 VAL A C 1 ATOM 1907 O O . VAL A 1 258 ? 7.028 26.530 18.463 1.00 12.75 ? 258 VAL A O 1 ATOM 1908 C CB . VAL A 1 258 ? 7.990 24.288 20.572 1.00 11.19 ? 258 VAL A CB 1 ATOM 1909 C CG1 . VAL A 1 258 ? 7.801 22.894 21.140 1.00 11.22 ? 258 VAL A CG1 1 ATOM 1910 C CG2 . VAL A 1 258 ? 8.958 24.240 19.410 1.00 12.07 ? 258 VAL A CG2 1 ATOM 1911 N N . SER A 1 259 ? 6.772 27.234 20.572 1.00 11.73 ? 259 SER A N 1 ATOM 1912 C CA . SER A 1 259 ? 6.980 28.621 20.204 1.00 13.53 ? 259 SER A CA 1 ATOM 1913 C C . SER A 1 259 ? 8.403 28.962 20.611 1.00 13.60 ? 259 SER A C 1 ATOM 1914 O O . SER A 1 259 ? 8.756 28.823 21.778 1.00 13.49 ? 259 SER A O 1 ATOM 1915 C CB . SER A 1 259 ? 5.984 29.492 20.961 1.00 15.58 ? 259 SER A CB 1 ATOM 1916 O OG . SER A 1 259 ? 6.287 30.847 20.730 1.00 18.11 ? 259 SER A OG 1 ATOM 1917 N N . ILE A 1 260 ? 9.172 29.506 19.675 1.00 14.82 ? 260 ILE A N 1 ATOM 1918 C CA . ILE A 1 260 ? 10.571 29.843 19.901 1.00 15.94 ? 260 ILE A CA 1 ATOM 1919 C C . ILE A 1 260 ? 10.777 31.261 19.430 1.00 16.92 ? 260 ILE A C 1 ATOM 1920 O O . ILE A 1 260 ? 10.754 31.522 18.229 1.00 16.54 ? 260 ILE A O 1 ATOM 1921 C CB . ILE A 1 260 ? 11.452 28.980 18.950 1.00 16.99 ? 260 ILE A CB 1 ATOM 1922 C CG1 . ILE A 1 260 ? 11.184 27.489 19.183 1.00 17.39 ? 260 ILE A CG1 1 ATOM 1923 C CG2 . ILE A 1 260 ? 12.918 29.305 19.167 1.00 17.84 ? 260 ILE A CG2 1 ATOM 1924 C CD1 . ILE A 1 260 ? 11.802 26.526 18.161 1.00 18.16 ? 260 ILE A CD1 1 ATOM 1925 N N . SER A 1 261 ? 10.955 32.181 20.372 1.00 18.84 ? 261 SER A N 1 ATOM 1926 C CA . SER A 1 261 ? 11.161 33.588 20.040 1.00 20.59 ? 261 SER A CA 1 ATOM 1927 C C . SER A 1 261 ? 10.150 34.124 19.034 1.00 20.86 ? 261 SER A C 1 ATOM 1928 O O . SER A 1 261 ? 10.524 34.795 18.083 1.00 20.92 ? 261 SER A O 1 ATOM 1929 C CB . SER A 1 261 ? 12.599 33.856 19.583 1.00 22.02 ? 261 SER A CB 1 ATOM 1930 O OG . SER A 1 261 ? 13.519 33.521 20.626 1.00 23.33 ? 261 SER A OG 1 ATOM 1931 N N . GLY A 1 262 ? 8.867 33.805 19.230 1.00 20.97 ? 262 GLY A N 1 ATOM 1932 C CA . GLY A 1 262 ? 7.815 34.310 18.346 1.00 21.14 ? 262 GLY A CA 1 ATOM 1933 C C . GLY A 1 262 ? 7.506 33.439 17.137 1.00 21.53 ? 262 GLY A C 1 ATOM 1934 O O . GLY A 1 262 ? 6.452 33.592 16.495 1.00 23.36 ? 262 GLY A O 1 ATOM 1935 N N . TYR A 1 263 ? 8.412 32.524 16.815 1.00 18.27 ? 263 TYR A N 1 ATOM 1936 C CA . TYR A 1 263 ? 8.199 31.609 15.700 1.00 15.28 ? 263 TYR A CA 1 ATOM 1937 C C . TYR A 1 263 ? 7.548 30.319 16.180 1.00 14.64 ? 263 TYR A C 1 ATOM 1938 O O . TYR A 1 263 ? 7.977 29.740 17.175 1.00 14.70 ? 263 TYR A O 1 ATOM 1939 C CB . TYR A 1 263 ? 9.552 31.286 15.054 1.00 13.29 ? 263 TYR A CB 1 ATOM 1940 C CG . TYR A 1 263 ? 9.535 30.124 14.100 1.00 12.79 ? 263 TYR A CG 1 ATOM 1941 C CD1 . TYR A 1 263 ? 8.958 30.227 12.859 1.00 13.11 ? 263 TYR A CD1 1 ATOM 1942 C CD2 . TYR A 1 263 ? 10.207 28.945 14.399 1.00 12.81 ? 263 TYR A CD2 1 ATOM 1943 C CE1 . TYR A 1 263 ? 8.982 29.158 11.969 1.00 13.72 ? 263 TYR A CE1 1 ATOM 1944 C CE2 . TYR A 1 263 ? 10.277 27.884 13.492 1.00 12.28 ? 263 TYR A CE2 1 ATOM 1945 C CZ . TYR A 1 263 ? 9.656 27.997 12.284 1.00 13.21 ? 263 TYR A CZ 1 ATOM 1946 O OH . TYR A 1 263 ? 9.646 26.920 11.413 1.00 14.01 ? 263 TYR A OH 1 ATOM 1947 N N . THR A 1 264 ? 6.564 29.836 15.427 1.00 14.06 ? 264 THR A N 1 ATOM 1948 C CA . THR A 1 264 ? 5.927 28.580 15.738 1.00 14.51 ? 264 THR A CA 1 ATOM 1949 C C . THR A 1 264 ? 6.490 27.433 14.903 1.00 14.39 ? 264 THR A C 1 ATOM 1950 O O . THR A 1 264 ? 6.188 27.312 13.705 1.00 14.95 ? 264 THR A O 1 ATOM 1951 C CB . THR A 1 264 ? 4.403 28.661 15.550 1.00 15.88 ? 264 THR A CB 1 ATOM 1952 O OG1 . THR A 1 264 ? 3.875 29.663 16.431 1.00 16.69 ? 264 THR A OG1 1 ATOM 1953 C CG2 . THR A 1 264 ? 3.772 27.341 15.891 1.00 16.48 ? 264 THR A CG2 1 ATOM 1954 N N . ALA A 1 265 ? 7.295 26.585 15.531 1.00 12.65 ? 265 ALA A N 1 ATOM 1955 C CA . ALA A 1 265 ? 7.846 25.432 14.839 1.00 11.93 ? 265 ALA A CA 1 ATOM 1956 C C . ALA A 1 265 ? 6.850 24.288 14.962 1.00 12.04 ? 265 ALA A C 1 ATOM 1957 O O . ALA A 1 265 ? 6.605 23.803 16.049 1.00 13.69 ? 265 ALA A O 1 ATOM 1958 C CB . ALA A 1 265 ? 9.145 25.050 15.474 1.00 11.56 ? 265 ALA A CB 1 ATOM 1959 N N . THR A 1 266 ? 6.295 23.836 13.850 1.00 10.89 ? 266 THR A N 1 ATOM 1960 C CA . THR A 1 266 ? 5.309 22.779 13.866 1.00 10.89 ? 266 THR A CA 1 ATOM 1961 C C . THR A 1 266 ? 5.779 21.457 13.290 1.00 11.04 ? 266 THR A C 1 ATOM 1962 O O . THR A 1 266 ? 6.340 21.430 12.204 1.00 11.81 ? 266 THR A O 1 ATOM 1963 C CB . THR A 1 266 ? 4.045 23.245 13.097 1.00 12.77 ? 266 THR A CB 1 ATOM 1964 O OG1 . THR A 1 266 ? 3.481 24.400 13.760 1.00 13.65 ? 266 THR A OG1 1 ATOM 1965 C CG2 . THR A 1 266 ? 3.015 22.105 13.020 1.00 13.41 ? 266 THR A CG2 1 ATOM 1966 N N . VAL A 1 267 ? 5.607 20.379 14.043 1.00 10.87 ? 267 VAL A N 1 ATOM 1967 C CA . VAL A 1 267 ? 5.925 19.051 13.549 1.00 12.59 ? 267 VAL A CA 1 ATOM 1968 C C . VAL A 1 267 ? 4.556 18.447 13.168 1.00 14.86 ? 267 VAL A C 1 ATOM 1969 O O . VAL A 1 267 ? 3.749 18.122 14.045 1.00 14.54 ? 267 VAL A O 1 ATOM 1970 C CB . VAL A 1 267 ? 6.575 18.193 14.649 1.00 12.56 ? 267 VAL A CB 1 ATOM 1971 C CG1 . VAL A 1 267 ? 6.939 16.805 14.120 1.00 12.39 ? 267 VAL A CG1 1 ATOM 1972 C CG2 . VAL A 1 267 ? 7.792 18.901 15.230 1.00 12.88 ? 267 VAL A CG2 1 ATOM 1973 N N . PRO A 1 268 ? 4.289 18.256 11.879 1.00 16.14 ? 268 PRO A N 1 ATOM 1974 C CA . PRO A 1 268 ? 2.998 17.703 11.497 1.00 15.41 ? 268 PRO A CA 1 ATOM 1975 C C . PRO A 1 268 ? 2.813 16.294 12.021 1.00 13.88 ? 268 PRO A C 1 ATOM 1976 O O . PRO A 1 268 ? 3.772 15.527 12.115 1.00 13.20 ? 268 PRO A O 1 ATOM 1977 C CB . PRO A 1 268 ? 3.014 17.749 9.957 1.00 16.45 ? 268 PRO A CB 1 ATOM 1978 C CG . PRO A 1 268 ? 4.443 18.039 9.596 1.00 18.15 ? 268 PRO A CG 1 ATOM 1979 C CD . PRO A 1 268 ? 5.003 18.832 10.729 1.00 17.92 ? 268 PRO A CD 1 ATOM 1980 N N . GLY A 1 269 ? 1.570 15.927 12.330 1.00 12.88 ? 269 GLY A N 1 ATOM 1981 C CA . GLY A 1 269 ? 1.327 14.597 12.846 1.00 13.52 ? 269 GLY A CA 1 ATOM 1982 C C . GLY A 1 269 ? 1.897 13.456 11.974 1.00 14.56 ? 269 GLY A C 1 ATOM 1983 O O . GLY A 1 269 ? 2.346 12.427 12.483 1.00 14.48 ? 269 GLY A O 1 ATOM 1984 N N . SER A 1 270 ? 1.914 13.633 10.662 1.00 15.61 ? 270 SER A N 1 ATOM 1985 C CA . SER A 1 270 ? 2.406 12.542 9.818 1.00 17.21 ? 270 SER A CA 1 ATOM 1986 C C . SER A 1 270 ? 3.859 12.200 10.114 1.00 17.01 ? 270 SER A C 1 ATOM 1987 O O . SER A 1 270 ? 4.274 11.045 9.978 1.00 18.09 ? 270 SER A O 1 ATOM 1988 C CB . SER A 1 270 ? 2.194 12.872 8.345 1.00 19.74 ? 270 SER A CB 1 ATOM 1989 O OG . SER A 1 270 ? 2.688 14.175 8.100 1.00 22.29 ? 270 SER A OG 1 ATOM 1990 N N . LEU A 1 271 ? 4.632 13.186 10.544 1.00 15.44 ? 271 LEU A N 1 ATOM 1991 C CA . LEU A 1 271 ? 6.023 12.913 10.852 1.00 16.07 ? 271 LEU A CA 1 ATOM 1992 C C . LEU A 1 271 ? 6.174 12.258 12.202 1.00 16.21 ? 271 LEU A C 1 ATOM 1993 O O . LEU A 1 271 ? 7.201 11.662 12.501 1.00 17.47 ? 271 LEU A O 1 ATOM 1994 C CB . LEU A 1 271 ? 6.865 14.182 10.777 1.00 17.43 ? 271 LEU A CB 1 ATOM 1995 C CG . LEU A 1 271 ? 7.157 14.740 9.386 1.00 18.80 ? 271 LEU A CG 1 ATOM 1996 C CD1 . LEU A 1 271 ? 8.003 16.031 9.508 1.00 19.44 ? 271 LEU A CD1 1 ATOM 1997 C CD2 . LEU A 1 271 ? 7.930 13.682 8.572 1.00 19.67 ? 271 LEU A CD2 1 ATOM 1998 N N . ILE A 1 272 ? 5.161 12.393 13.040 1.00 15.18 ? 272 ILE A N 1 ATOM 1999 C CA . ILE A 1 272 ? 5.227 11.780 14.354 1.00 15.19 ? 272 ILE A CA 1 ATOM 2000 C C . ILE A 1 272 ? 5.023 10.259 14.304 1.00 16.38 ? 272 ILE A C 1 ATOM 2001 O O . ILE A 1 272 ? 5.284 9.544 15.280 1.00 18.23 ? 272 ILE A O 1 ATOM 2002 C CB . ILE A 1 272 ? 4.341 12.524 15.386 1.00 13.91 ? 272 ILE A CB 1 ATOM 2003 C CG1 . ILE A 1 272 ? 4.834 13.972 15.516 1.00 13.09 ? 272 ILE A CG1 1 ATOM 2004 C CG2 . ILE A 1 272 ? 4.402 11.825 16.738 1.00 13.51 ? 272 ILE A CG2 1 ATOM 2005 C CD1 . ILE A 1 272 ? 3.906 14.938 16.264 1.00 12.57 ? 272 ILE A CD1 1 ATOM 2006 N N . ASN A 1 273 ? 4.542 9.746 13.183 1.00 15.40 ? 273 ASN A N 1 ATOM 2007 C CA . ASN A 1 273 ? 4.426 8.309 13.081 1.00 16.78 ? 273 ASN A CA 1 ATOM 2008 C C . ASN A 1 273 ? 5.812 7.858 12.647 1.00 18.12 ? 273 ASN A C 1 ATOM 2009 O O . ASN A 1 273 ? 6.177 7.997 11.468 1.00 19.53 ? 273 ASN A O 1 ATOM 2010 C CB . ASN A 1 273 ? 3.424 7.924 12.012 1.00 19.05 ? 273 ASN A CB 1 ATOM 2011 C CG . ASN A 1 273 ? 3.275 6.419 11.888 1.00 21.18 ? 273 ASN A CG 1 ATOM 2012 O OD1 . ASN A 1 273 ? 4.130 5.657 12.344 1.00 21.55 ? 273 ASN A OD1 1 ATOM 2013 N ND2 . ASN A 1 273 ? 2.165 5.979 11.295 1.00 23.02 ? 273 ASN A ND2 1 ATOM 2014 N N . TYR A 1 274 ? 6.578 7.294 13.567 1.00 17.80 ? 274 TYR A N 1 ATOM 2015 C CA . TYR A 1 274 ? 7.939 6.877 13.247 1.00 18.95 ? 274 TYR A CA 1 ATOM 2016 C C . TYR A 1 274 ? 8.020 5.714 12.231 1.00 20.68 ? 274 TYR A C 1 ATOM 2017 O O . TYR A 1 274 ? 8.937 5.668 11.386 1.00 21.35 ? 274 TYR A O 1 ATOM 2018 C CB . TYR A 1 274 ? 8.701 6.575 14.535 1.00 18.83 ? 274 TYR A CB 1 ATOM 2019 C CG . TYR A 1 274 ? 10.055 5.945 14.339 1.00 20.30 ? 274 TYR A CG 1 ATOM 2020 C CD1 . TYR A 1 274 ? 11.154 6.706 13.983 1.00 20.89 ? 274 TYR A CD1 1 ATOM 2021 C CD2 . TYR A 1 274 ? 10.236 4.587 14.544 1.00 21.15 ? 274 TYR A CD2 1 ATOM 2022 C CE1 . TYR A 1 274 ? 12.400 6.121 13.833 1.00 21.09 ? 274 TYR A CE1 1 ATOM 2023 C CE2 . TYR A 1 274 ? 11.478 3.998 14.405 1.00 21.92 ? 274 TYR A CE2 1 ATOM 2024 C CZ . TYR A 1 274 ? 12.552 4.779 14.046 1.00 22.19 ? 274 TYR A CZ 1 ATOM 2025 O OH . TYR A 1 274 ? 13.782 4.202 13.885 1.00 23.42 ? 274 TYR A OH 1 ATOM 2026 N N . GLY A 1 275 ? 7.089 4.768 12.326 1.00 20.91 ? 275 GLY A N 1 ATOM 2027 C CA . GLY A 1 275 ? 7.105 3.632 11.416 1.00 22.20 ? 275 GLY A CA 1 ATOM 2028 C C . GLY A 1 275 ? 6.639 2.399 12.174 1.00 24.12 ? 275 GLY A C 1 ATOM 2029 O O . GLY A 1 275 ? 6.281 2.474 13.351 1.00 23.16 ? 275 GLY A O 1 ATOM 2030 N N . PRO A 1 276 ? 6.686 1.251 11.519 1.00 26.65 ? 276 PRO A N 1 ATOM 2031 C CA . PRO A 1 276 ? 6.237 0.001 12.152 1.00 28.55 ? 276 PRO A CA 1 ATOM 2032 C C . PRO A 1 276 ? 7.000 -0.213 13.444 1.00 30.79 ? 276 PRO A C 1 ATOM 2033 O O . PRO A 1 276 ? 8.201 0.071 13.519 1.00 32.02 ? 276 PRO A O 1 ATOM 2034 C CB . PRO A 1 276 ? 6.592 -1.090 11.132 1.00 28.46 ? 276 PRO A CB 1 ATOM 2035 C CG . PRO A 1 276 ? 7.206 -0.390 9.948 1.00 28.44 ? 276 PRO A CG 1 ATOM 2036 C CD . PRO A 1 276 ? 7.031 1.099 10.098 1.00 27.90 ? 276 PRO A CD 1 ATOM 2037 N N . SER A 1 277 ? 6.283 -0.637 14.477 1.00 32.14 ? 277 SER A N 1 ATOM 2038 C CA . SER A 1 277 ? 6.862 -0.850 15.804 1.00 33.92 ? 277 SER A CA 1 ATOM 2039 C C . SER A 1 277 ? 7.732 -2.088 15.853 1.00 37.80 ? 277 SER A C 1 ATOM 2040 O O . SER A 1 277 ? 8.488 -2.283 16.798 1.00 37.94 ? 277 SER A O 1 ATOM 2041 C CB . SER A 1 277 ? 5.760 -1.039 16.836 1.00 32.07 ? 277 SER A CB 1 ATOM 2042 O OG . SER A 1 277 ? 5.145 -2.296 16.624 1.00 31.30 ? 277 SER A OG 1 ATOM 2043 N N . GLY A 1 278 ? 7.581 -2.974 14.882 1.00 41.25 ? 278 GLY A N 1 ATOM 2044 C CA . GLY A 1 278 ? 8.392 -4.173 14.926 1.00 44.93 ? 278 GLY A CA 1 ATOM 2045 C C . GLY A 1 278 ? 7.934 -5.013 16.116 1.00 48.33 ? 278 GLY A C 1 ATOM 2046 O O . GLY A 1 278 ? 8.753 -5.494 16.925 1.00 49.80 ? 278 GLY A O 1 ATOM 2047 N N . ASP A 1 279 ? 6.617 -5.096 16.262 1.00 49.22 ? 279 ASP A N 1 ATOM 2048 C CA . ASP A 1 279 ? 5.985 -5.873 17.313 1.00 50.14 ? 279 ASP A CA 1 ATOM 2049 C C . ASP A 1 279 ? 4.553 -5.840 16.830 1.00 49.41 ? 279 ASP A C 1 ATOM 2050 O O . ASP A 1 279 ? 3.881 -4.807 16.880 1.00 49.67 ? 279 ASP A O 1 ATOM 2051 C CB . ASP A 1 279 ? 6.110 -5.177 18.689 1.00 51.96 ? 279 ASP A CB 1 ATOM 2052 C CG . ASP A 1 279 ? 5.752 -6.116 19.877 1.00 53.83 ? 279 ASP A CG 1 ATOM 2053 O OD1 . ASP A 1 279 ? 5.783 -7.360 19.701 1.00 54.68 ? 279 ASP A OD1 1 ATOM 2054 O OD2 . ASP A 1 279 ? 5.411 -5.617 20.981 1.00 54.16 ? 279 ASP A OD2 1 ATOM 2055 N N . GLY A 1 280 ? 4.090 -6.963 16.312 1.00 48.66 ? 280 GLY A N 1 ATOM 2056 C CA . GLY A 1 280 ? 2.745 -6.985 15.770 1.00 47.54 ? 280 GLY A CA 1 ATOM 2057 C C . GLY A 1 280 ? 2.687 -6.062 14.541 1.00 45.42 ? 280 GLY A C 1 ATOM 2058 O O . GLY A 1 280 ? 3.627 -5.982 13.736 1.00 45.75 ? 280 GLY A O 1 ATOM 2059 N N . SER A 1 281 ? 1.612 -5.295 14.467 1.00 42.41 ? 281 SER A N 1 ATOM 2060 C CA . SER A 1 281 ? 1.399 -4.444 13.337 1.00 39.23 ? 281 SER A CA 1 ATOM 2061 C C . SER A 1 281 ? 1.082 -3.021 13.736 1.00 35.53 ? 281 SER A C 1 ATOM 2062 O O . SER A 1 281 ? 0.395 -2.302 13.021 1.00 36.75 ? 281 SER A O 1 ATOM 2063 C CB . SER A 1 281 ? 0.282 -5.042 12.518 1.00 40.70 ? 281 SER A CB 1 ATOM 2064 O OG . SER A 1 281 ? 0.625 -6.392 12.262 1.00 42.15 ? 281 SER A OG 1 ATOM 2065 N N . THR A 1 282 ? 1.564 -2.619 14.902 1.00 30.40 ? 282 THR A N 1 ATOM 2066 C CA . THR A 1 282 ? 1.393 -1.242 15.347 1.00 25.97 ? 282 THR A CA 1 ATOM 2067 C C . THR A 1 282 ? 2.595 -0.393 14.895 1.00 21.71 ? 282 THR A C 1 ATOM 2068 O O . THR A 1 282 ? 3.611 -0.918 14.416 1.00 21.80 ? 282 THR A O 1 ATOM 2069 C CB . THR A 1 282 ? 1.305 -1.166 16.873 1.00 25.87 ? 282 THR A CB 1 ATOM 2070 O OG1 . THR A 1 282 ? 2.508 -1.703 17.439 1.00 25.37 ? 282 THR A OG1 1 ATOM 2071 C CG2 . THR A 1 282 ? 0.115 -1.991 17.366 1.00 26.19 ? 282 THR A CG2 1 ATOM 2072 N N . CYS A 1 283 ? 2.442 0.914 14.992 1.00 17.70 ? 283 CYS A N 1 ATOM 2073 C CA . CYS A 1 283 ? 3.508 1.849 14.679 1.00 16.94 ? 283 CYS A CA 1 ATOM 2074 C C . CYS A 1 283 ? 4.014 2.507 15.970 1.00 16.50 ? 283 CYS A C 1 ATOM 2075 O O . CYS A 1 283 ? 3.225 2.750 16.899 1.00 16.13 ? 283 CYS A O 1 ATOM 2076 C CB . CYS A 1 283 ? 3.006 2.911 13.696 1.00 17.91 ? 283 CYS A CB 1 ATOM 2077 S SG . CYS A 1 283 ? 2.989 2.391 11.941 1.00 19.22 ? 283 CYS A SG 1 ATOM 2078 N N . LEU A 1 284 ? 5.302 2.867 16.001 1.00 15.07 ? 284 LEU A N 1 ATOM 2079 C CA . LEU A 1 284 ? 5.899 3.502 17.168 1.00 13.61 ? 284 LEU A CA 1 ATOM 2080 C C . LEU A 1 284 ? 5.751 5.011 17.032 1.00 12.51 ? 284 LEU A C 1 ATOM 2081 O O . LEU A 1 284 ? 5.946 5.543 15.956 1.00 13.26 ? 284 LEU A O 1 ATOM 2082 C CB . LEU A 1 284 ? 7.376 3.122 17.219 1.00 15.03 ? 284 LEU A CB 1 ATOM 2083 C CG . LEU A 1 284 ? 8.215 3.686 18.370 1.00 16.64 ? 284 LEU A CG 1 ATOM 2084 C CD1 . LEU A 1 284 ? 7.762 3.105 19.702 1.00 15.88 ? 284 LEU A CD1 1 ATOM 2085 C CD2 . LEU A 1 284 ? 9.734 3.490 18.155 1.00 17.57 ? 284 LEU A CD2 1 ATOM 2086 N N . GLY A 1 285 ? 5.461 5.715 18.118 1.00 11.28 ? 285 GLY A N 1 ATOM 2087 C CA . GLY A 1 285 ? 5.304 7.165 18.045 1.00 10.92 ? 285 GLY A CA 1 ATOM 2088 C C . GLY A 1 285 ? 6.647 7.854 18.071 1.00 10.89 ? 285 GLY A C 1 ATOM 2089 O O . GLY A 1 285 ? 7.588 7.365 18.720 1.00 10.23 ? 285 GLY A O 1 ATOM 2090 N N . GLY A 1 286 ? 6.726 8.993 17.382 1.00 10.38 ? 286 GLY A N 1 ATOM 2091 C CA . GLY A 1 286 ? 7.965 9.769 17.291 1.00 10.20 ? 286 GLY A CA 1 ATOM 2092 C C . GLY A 1 286 ? 8.256 10.493 18.589 1.00 11.12 ? 286 GLY A C 1 ATOM 2093 O O . GLY A 1 286 ? 9.380 10.950 18.805 1.00 12.06 ? 286 GLY A O 1 ATOM 2094 N N . ILE A 1 287 ? 7.218 10.706 19.399 1.00 9.75 ? 287 ILE A N 1 ATOM 2095 C CA . ILE A 1 287 ? 7.357 11.353 20.698 1.00 9.46 ? 287 ILE A CA 1 ATOM 2096 C C . ILE A 1 287 ? 7.450 10.287 21.802 1.00 9.52 ? 287 ILE A C 1 ATOM 2097 O O . ILE A 1 287 ? 6.615 9.399 21.859 1.00 9.60 ? 287 ILE A O 1 ATOM 2098 C CB . ILE A 1 287 ? 6.159 12.307 20.962 1.00 9.39 ? 287 ILE A CB 1 ATOM 2099 C CG1 . ILE A 1 287 ? 6.272 13.548 20.077 1.00 10.27 ? 287 ILE A CG1 1 ATOM 2100 C CG2 . ILE A 1 287 ? 6.090 12.689 22.443 1.00 10.47 ? 287 ILE A CG2 1 ATOM 2101 C CD1 . ILE A 1 287 ? 5.113 14.554 20.273 1.00 10.98 ? 287 ILE A CD1 1 ATOM 2102 N N . GLN A 1 288 ? 8.462 10.373 22.671 1.00 9.47 ? 288 GLN A N 1 ATOM 2103 C CA . GLN A 1 288 ? 8.604 9.395 23.768 1.00 9.22 ? 288 GLN A CA 1 ATOM 2104 C C . GLN A 1 288 ? 9.229 10.113 24.961 1.00 9.33 ? 288 GLN A C 1 ATOM 2105 O O . GLN A 1 288 ? 9.571 11.305 24.859 1.00 9.41 ? 288 GLN A O 1 ATOM 2106 C CB . GLN A 1 288 ? 9.450 8.188 23.357 1.00 8.67 ? 288 GLN A CB 1 ATOM 2107 C CG . GLN A 1 288 ? 8.924 7.450 22.136 1.00 10.63 ? 288 GLN A CG 1 ATOM 2108 C CD . GLN A 1 288 ? 7.631 6.691 22.372 1.00 11.60 ? 288 GLN A CD 1 ATOM 2109 O OE1 . GLN A 1 288 ? 7.229 6.443 23.523 1.00 11.52 ? 288 GLN A OE1 1 ATOM 2110 N NE2 . GLN A 1 288 ? 7.018 6.229 21.281 1.00 11.42 ? 288 GLN A NE2 1 ATOM 2111 N N . SER A 1 289 ? 9.266 9.432 26.108 1.00 9.86 ? 289 SER A N 1 ATOM 2112 C CA . SER A 1 289 ? 9.768 10.003 27.365 1.00 11.16 ? 289 SER A CA 1 ATOM 2113 C C . SER A 1 289 ? 11.273 10.315 27.392 1.00 11.12 ? 289 SER A C 1 ATOM 2114 O O . SER A 1 289 ? 12.064 9.553 26.843 1.00 11.07 ? 289 SER A O 1 ATOM 2115 C CB . SER A 1 289 ? 9.476 8.996 28.495 1.00 13.84 ? 289 SER A CB 1 ATOM 2116 O OG . SER A 1 289 ? 10.132 9.381 29.704 1.00 15.84 ? 289 SER A OG 1 ATOM 2117 N N . ASN A 1 290 ? 11.649 11.384 28.100 1.00 10.62 ? 290 ASN A N 1 ATOM 2118 C CA . ASN A 1 290 ? 13.045 11.729 28.309 1.00 10.84 ? 290 ASN A CA 1 ATOM 2119 C C . ASN A 1 290 ? 13.597 11.141 29.618 1.00 12.57 ? 290 ASN A C 1 ATOM 2120 O O . ASN A 1 290 ? 14.683 11.533 30.058 1.00 13.62 ? 290 ASN A O 1 ATOM 2121 C CB . ASN A 1 290 ? 13.266 13.232 28.292 1.00 10.71 ? 290 ASN A CB 1 ATOM 2122 C CG . ASN A 1 290 ? 12.539 13.933 29.408 1.00 11.93 ? 290 ASN A CG 1 ATOM 2123 O OD1 . ASN A 1 290 ? 11.937 13.287 30.265 1.00 12.44 ? 290 ASN A OD1 1 ATOM 2124 N ND2 . ASN A 1 290 ? 12.560 15.253 29.390 1.00 12.26 ? 290 ASN A ND2 1 ATOM 2125 N N . SER A 1 291 ? 12.848 10.235 30.251 1.00 12.55 ? 291 SER A N 1 ATOM 2126 C CA . SER A 1 291 ? 13.302 9.543 31.461 1.00 14.58 ? 291 SER A CA 1 ATOM 2127 C C . SER A 1 291 ? 13.537 10.423 32.658 1.00 14.38 ? 291 SER A C 1 ATOM 2128 O O . SER A 1 291 ? 14.286 10.038 33.564 1.00 15.24 ? 291 SER A O 1 ATOM 2129 C CB . SER A 1 291 ? 14.577 8.735 31.236 1.00 17.99 ? 291 SER A CB 1 ATOM 2130 O OG . SER A 1 291 ? 14.385 7.715 30.282 1.00 21.40 ? 291 SER A OG 1 ATOM 2131 N N . GLY A 1 292 ? 12.986 11.624 32.621 1.00 13.64 ? 292 GLY A N 1 ATOM 2132 C CA . GLY A 1 292 ? 13.086 12.535 33.744 1.00 13.81 ? 292 GLY A CA 1 ATOM 2133 C C . GLY A 1 292 ? 14.345 13.363 33.871 1.00 14.67 ? 292 GLY A C 1 ATOM 2134 O O . GLY A 1 292 ? 14.595 13.928 34.941 1.00 14.40 ? 292 GLY A O 1 ATOM 2135 N N . ILE A 1 293 ? 15.132 13.457 32.800 1.00 14.21 ? 293 ILE A N 1 ATOM 2136 C CA . ILE A 1 293 ? 16.374 14.239 32.853 1.00 14.39 ? 293 ILE A CA 1 ATOM 2137 C C . ILE A 1 293 ? 16.250 15.741 33.047 1.00 14.15 ? 293 ILE A C 1 ATOM 2138 O O . ILE A 1 293 ? 17.252 16.394 33.318 1.00 16.34 ? 293 ILE A O 1 ATOM 2139 C CB . ILE A 1 293 ? 17.303 13.981 31.667 1.00 14.94 ? 293 ILE A CB 1 ATOM 2140 C CG1 . ILE A 1 293 ? 16.641 14.465 30.375 1.00 15.55 ? 293 ILE A CG1 1 ATOM 2141 C CG2 . ILE A 1 293 ? 17.677 12.506 31.588 1.00 14.94 ? 293 ILE A CG2 1 ATOM 2142 C CD1 . ILE A 1 293 ? 17.520 14.309 29.158 1.00 17.51 ? 293 ILE A CD1 1 ATOM 2143 N N . GLY A 1 294 ? 15.059 16.312 32.886 1.00 11.78 ? 294 GLY A N 1 ATOM 2144 C CA . GLY A 1 294 ? 14.890 17.746 33.140 1.00 11.11 ? 294 GLY A CA 1 ATOM 2145 C C . GLY A 1 294 ? 14.941 18.725 31.976 1.00 11.29 ? 294 GLY A C 1 ATOM 2146 O O . GLY A 1 294 ? 14.817 19.942 32.176 1.00 11.13 ? 294 GLY A O 1 ATOM 2147 N N . PHE A 1 295 ? 15.130 18.204 30.757 1.00 11.15 ? 295 PHE A N 1 ATOM 2148 C CA . PHE A 1 295 ? 15.156 19.045 29.553 1.00 11.20 ? 295 PHE A CA 1 ATOM 2149 C C . PHE A 1 295 ? 14.825 18.112 28.407 1.00 10.19 ? 295 PHE A C 1 ATOM 2150 O O . PHE A 1 295 ? 14.814 16.888 28.585 1.00 10.15 ? 295 PHE A O 1 ATOM 2151 C CB . PHE A 1 295 ? 16.496 19.786 29.323 1.00 12.70 ? 295 PHE A CB 1 ATOM 2152 C CG . PHE A 1 295 ? 17.680 18.869 29.133 1.00 14.22 ? 295 PHE A CG 1 ATOM 2153 C CD1 . PHE A 1 295 ? 18.398 18.398 30.224 1.00 14.62 ? 295 PHE A CD1 1 ATOM 2154 C CD2 . PHE A 1 295 ? 18.041 18.432 27.866 1.00 15.56 ? 295 PHE A CD2 1 ATOM 2155 C CE1 . PHE A 1 295 ? 19.471 17.539 30.041 1.00 15.73 ? 295 PHE A CE1 1 ATOM 2156 C CE2 . PHE A 1 295 ? 19.099 17.548 27.691 1.00 15.72 ? 295 PHE A CE2 1 ATOM 2157 C CZ . PHE A 1 295 ? 19.812 17.104 28.771 1.00 15.90 ? 295 PHE A CZ 1 ATOM 2158 N N . SER A 1 296 ? 14.404 18.696 27.289 1.00 9.46 ? 296 SER A N 1 ATOM 2159 C CA . SER A 1 296 ? 13.950 17.907 26.139 1.00 9.65 ? 296 SER A CA 1 ATOM 2160 C C . SER A 1 296 ? 15.010 17.737 25.058 1.00 8.86 ? 296 SER A C 1 ATOM 2161 O O . SER A 1 296 ? 15.945 18.545 24.953 1.00 8.78 ? 296 SER A O 1 ATOM 2162 C CB . SER A 1 296 ? 12.677 18.532 25.561 1.00 11.40 ? 296 SER A CB 1 ATOM 2163 O OG . SER A 1 296 ? 11.649 18.435 26.551 1.00 12.56 ? 296 SER A OG 1 ATOM 2164 N N . ILE A 1 297 ? 14.901 16.644 24.315 1.00 8.18 ? 297 ILE A N 1 ATOM 2165 C CA . ILE A 1 297 ? 15.857 16.387 23.238 1.00 8.40 ? 297 ILE A CA 1 ATOM 2166 C C . ILE A 1 297 ? 15.108 16.524 21.912 1.00 7.38 ? 297 ILE A C 1 ATOM 2167 O O . ILE A 1 297 ? 14.223 15.708 21.596 1.00 8.16 ? 297 ILE A O 1 ATOM 2168 C CB . ILE A 1 297 ? 16.432 14.977 23.368 1.00 11.14 ? 297 ILE A CB 1 ATOM 2169 C CG1 . ILE A 1 297 ? 17.001 14.773 24.784 1.00 12.39 ? 297 ILE A CG1 1 ATOM 2170 C CG2 . ILE A 1 297 ? 17.514 14.734 22.298 1.00 11.98 ? 297 ILE A CG2 1 ATOM 2171 C CD1 A ILE A 1 297 ? 17.208 13.358 25.114 0.52 12.68 ? 297 ILE A CD1 1 ATOM 2172 C CD1 B ILE A 1 297 ? 18.015 15.753 25.190 0.48 11.71 ? 297 ILE A CD1 1 ATOM 2173 N N . PHE A 1 298 ? 15.428 17.576 21.168 1.00 6.89 ? 298 PHE A N 1 ATOM 2174 C CA . PHE A 1 298 ? 14.811 17.793 19.862 1.00 8.11 ? 298 PHE A CA 1 ATOM 2175 C C . PHE A 1 298 ? 15.595 17.000 18.807 1.00 8.83 ? 298 PHE A C 1 ATOM 2176 O O . PHE A 1 298 ? 16.530 17.524 18.199 1.00 9.48 ? 298 PHE A O 1 ATOM 2177 C CB . PHE A 1 298 ? 14.815 19.286 19.558 1.00 9.63 ? 298 PHE A CB 1 ATOM 2178 C CG . PHE A 1 298 ? 13.837 20.073 20.414 1.00 12.35 ? 298 PHE A CG 1 ATOM 2179 C CD1 . PHE A 1 298 ? 12.502 20.139 20.059 1.00 13.52 ? 298 PHE A CD1 1 ATOM 2180 C CD2 . PHE A 1 298 ? 14.248 20.712 21.568 1.00 14.05 ? 298 PHE A CD2 1 ATOM 2181 C CE1 . PHE A 1 298 ? 11.569 20.855 20.835 1.00 13.90 ? 298 PHE A CE1 1 ATOM 2182 C CE2 . PHE A 1 298 ? 13.338 21.442 22.339 1.00 15.24 ? 298 PHE A CE2 1 ATOM 2183 C CZ . PHE A 1 298 ? 11.994 21.509 21.972 1.00 14.46 ? 298 PHE A CZ 1 ATOM 2184 N N . GLY A 1 299 ? 15.252 15.717 18.694 1.00 7.93 ? 299 GLY A N 1 ATOM 2185 C CA . GLY A 1 299 ? 15.886 14.756 17.806 1.00 7.06 ? 299 GLY A CA 1 ATOM 2186 C C . GLY A 1 299 ? 15.379 14.834 16.367 1.00 7.97 ? 299 GLY A C 1 ATOM 2187 O O . GLY A 1 299 ? 14.696 15.782 15.952 1.00 8.22 ? 299 GLY A O 1 ATOM 2188 N N . ASP A 1 300 ? 15.709 13.794 15.616 1.00 7.82 ? 300 ASP A N 1 ATOM 2189 C CA . ASP A 1 300 ? 15.408 13.751 14.201 1.00 7.64 ? 300 ASP A CA 1 ATOM 2190 C C . ASP A 1 300 ? 13.945 13.971 13.841 1.00 8.11 ? 300 ASP A C 1 ATOM 2191 O O . ASP A 1 300 ? 13.652 14.610 12.822 1.00 8.90 ? 300 ASP A O 1 ATOM 2192 C CB . ASP A 1 300 ? 15.931 12.446 13.612 1.00 7.80 ? 300 ASP A CB 1 ATOM 2193 C CG . ASP A 1 300 ? 17.446 12.312 13.758 1.00 10.05 ? 300 ASP A CG 1 ATOM 2194 O OD1 . ASP A 1 300 ? 18.137 13.354 13.928 1.00 10.36 ? 300 ASP A OD1 1 ATOM 2195 O OD2 . ASP A 1 300 ? 17.961 11.178 13.707 1.00 11.12 ? 300 ASP A OD2 1 ATOM 2196 N N . ILE A 1 301 ? 13.026 13.450 14.659 1.00 7.85 ? 301 ILE A N 1 ATOM 2197 C CA . ILE A 1 301 ? 11.582 13.630 14.367 1.00 8.20 ? 301 ILE A CA 1 ATOM 2198 C C . ILE A 1 301 ? 11.233 15.095 14.225 1.00 8.73 ? 301 ILE A C 1 ATOM 2199 O O . ILE A 1 301 ? 10.486 15.476 13.326 1.00 10.34 ? 301 ILE A O 1 ATOM 2200 C CB . ILE A 1 301 ? 10.728 13.010 15.509 1.00 8.85 ? 301 ILE A CB 1 ATOM 2201 C CG1 . ILE A 1 301 ? 10.881 11.485 15.488 1.00 9.17 ? 301 ILE A CG1 1 ATOM 2202 C CG2 . ILE A 1 301 ? 9.253 13.470 15.422 1.00 9.48 ? 301 ILE A CG2 1 ATOM 2203 C CD1 . ILE A 1 301 ? 10.169 10.832 14.307 1.00 11.13 ? 301 ILE A CD1 1 ATOM 2204 N N . PHE A 1 302 ? 11.802 15.921 15.103 1.00 7.39 ? 302 PHE A N 1 ATOM 2205 C CA . PHE A 1 302 ? 11.567 17.349 15.053 1.00 8.25 ? 302 PHE A CA 1 ATOM 2206 C C . PHE A 1 302 ? 12.320 18.006 13.903 1.00 9.44 ? 302 PHE A C 1 ATOM 2207 O O . PHE A 1 302 ? 11.782 18.849 13.162 1.00 10.07 ? 302 PHE A O 1 ATOM 2208 C CB . PHE A 1 302 ? 12.007 17.980 16.379 1.00 9.18 ? 302 PHE A CB 1 ATOM 2209 C CG . PHE A 1 302 ? 11.977 19.485 16.374 1.00 11.02 ? 302 PHE A CG 1 ATOM 2210 C CD1 . PHE A 1 302 ? 10.792 20.171 16.585 1.00 12.71 ? 302 PHE A CD1 1 ATOM 2211 C CD2 . PHE A 1 302 ? 13.136 20.206 16.219 1.00 11.50 ? 302 PHE A CD2 1 ATOM 2212 C CE1 . PHE A 1 302 ? 10.765 21.568 16.594 1.00 13.54 ? 302 PHE A CE1 1 ATOM 2213 C CE2 . PHE A 1 302 ? 13.117 21.601 16.209 1.00 12.95 ? 302 PHE A CE2 1 ATOM 2214 C CZ . PHE A 1 302 ? 11.926 22.280 16.401 1.00 13.28 ? 302 PHE A CZ 1 ATOM 2215 N N . LEU A 1 303 ? 13.583 17.616 13.755 1.00 9.25 ? 303 LEU A N 1 ATOM 2216 C CA . LEU A 1 303 ? 14.460 18.254 12.757 1.00 9.84 ? 303 LEU A CA 1 ATOM 2217 C C . LEU A 1 303 ? 13.986 18.050 11.319 1.00 9.73 ? 303 LEU A C 1 ATOM 2218 O O . LEU A 1 303 ? 14.224 18.899 10.462 1.00 9.68 ? 303 LEU A O 1 ATOM 2219 C CB . LEU A 1 303 ? 15.917 17.806 12.969 1.00 11.01 ? 303 LEU A CB 1 ATOM 2220 C CG . LEU A 1 303 ? 16.458 18.160 14.356 1.00 11.50 ? 303 LEU A CG 1 ATOM 2221 C CD1 . LEU A 1 303 ? 17.793 17.454 14.587 1.00 12.89 ? 303 LEU A CD1 1 ATOM 2222 C CD2 . LEU A 1 303 ? 16.658 19.652 14.433 1.00 10.70 ? 303 LEU A CD2 1 ATOM 2223 N N . LYS A 1 304 ? 13.281 16.946 11.067 1.00 9.96 ? 304 LYS A N 1 ATOM 2224 C CA . LYS A 1 304 ? 12.725 16.669 9.739 1.00 11.27 ? 304 LYS A CA 1 ATOM 2225 C C . LYS A 1 304 ? 11.749 17.723 9.266 1.00 11.86 ? 304 LYS A C 1 ATOM 2226 O O . LYS A 1 304 ? 11.396 17.765 8.086 1.00 13.68 ? 304 LYS A O 1 ATOM 2227 C CB . LYS A 1 304 ? 12.041 15.293 9.691 1.00 12.15 ? 304 LYS A CB 1 ATOM 2228 C CG . LYS A 1 304 ? 13.016 14.165 9.472 1.00 12.98 ? 304 LYS A CG 1 ATOM 2229 C CD . LYS A 1 304 ? 12.363 12.791 9.489 1.00 13.17 ? 304 LYS A CD 1 ATOM 2230 C CE . LYS A 1 304 ? 12.403 12.155 10.832 1.00 13.41 ? 304 LYS A CE 1 ATOM 2231 N NZ . LYS A 1 304 ? 12.002 10.731 10.723 1.00 12.91 ? 304 LYS A NZ 1 ATOM 2232 N N . SER A 1 305 ? 11.244 18.532 10.178 1.00 10.16 ? 305 SER A N 1 ATOM 2233 C CA . SER A 1 305 ? 10.293 19.554 9.766 1.00 9.51 ? 305 SER A CA 1 ATOM 2234 C C . SER A 1 305 ? 10.933 20.910 9.568 1.00 10.49 ? 305 SER A C 1 ATOM 2235 O O . SER A 1 305 ? 10.250 21.821 9.127 1.00 11.79 ? 305 SER A O 1 ATOM 2236 C CB . SER A 1 305 ? 9.177 19.696 10.809 1.00 9.19 ? 305 SER A CB 1 ATOM 2237 O OG . SER A 1 305 ? 9.656 20.261 12.038 1.00 10.04 ? 305 SER A OG 1 ATOM 2238 N N . GLN A 1 306 ? 12.207 21.080 9.938 1.00 8.89 ? 306 GLN A N 1 ATOM 2239 C CA . GLN A 1 306 ? 12.804 22.421 9.897 1.00 10.04 ? 306 GLN A CA 1 ATOM 2240 C C . GLN A 1 306 ? 14.163 22.433 9.231 1.00 9.78 ? 306 GLN A C 1 ATOM 2241 O O . GLN A 1 306 ? 14.776 21.383 9.070 1.00 10.18 ? 306 GLN A O 1 ATOM 2242 C CB . GLN A 1 306 ? 13.122 22.869 11.338 1.00 11.18 ? 306 GLN A CB 1 ATOM 2243 C CG . GLN A 1 306 ? 11.972 22.715 12.348 1.00 12.65 ? 306 GLN A CG 1 ATOM 2244 C CD . GLN A 1 306 ? 10.880 23.746 12.157 1.00 13.83 ? 306 GLN A CD 1 ATOM 2245 O OE1 . GLN A 1 306 ? 11.150 24.948 12.057 1.00 14.55 ? 306 GLN A OE1 1 ATOM 2246 N NE2 . GLN A 1 306 ? 9.645 23.276 12.046 1.00 13.92 ? 306 GLN A NE2 1 ATOM 2247 N N . TYR A 1 307 ? 14.552 23.604 8.751 1.00 8.87 ? 307 TYR A N 1 ATOM 2248 C CA . TYR A 1 307 ? 15.929 23.821 8.279 1.00 8.86 ? 307 TYR A CA 1 ATOM 2249 C C . TYR A 1 307 ? 16.530 24.529 9.496 1.00 9.50 ? 307 TYR A C 1 ATOM 2250 O O . TYR A 1 307 ? 15.960 25.521 9.976 1.00 9.88 ? 307 TYR A O 1 ATOM 2251 C CB . TYR A 1 307 ? 15.982 24.762 7.066 1.00 8.96 ? 307 TYR A CB 1 ATOM 2252 C CG . TYR A 1 307 ? 17.396 25.066 6.561 1.00 9.29 ? 307 TYR A CG 1 ATOM 2253 C CD1 . TYR A 1 307 ? 18.110 24.119 5.835 1.00 9.65 ? 307 TYR A CD1 1 ATOM 2254 C CD2 . TYR A 1 307 ? 17.940 26.309 6.693 1.00 9.44 ? 307 TYR A CD2 1 ATOM 2255 C CE1 . TYR A 1 307 ? 19.360 24.414 5.275 1.00 9.66 ? 307 TYR A CE1 1 ATOM 2256 C CE2 . TYR A 1 307 ? 19.210 26.606 6.152 1.00 10.33 ? 307 TYR A CE2 1 ATOM 2257 C CZ . TYR A 1 307 ? 19.900 25.653 5.449 1.00 10.22 ? 307 TYR A CZ 1 ATOM 2258 O OH . TYR A 1 307 ? 21.148 25.958 4.919 1.00 11.42 ? 307 TYR A OH 1 ATOM 2259 N N . VAL A 1 308 ? 17.599 23.984 10.064 1.00 9.27 ? 308 VAL A N 1 ATOM 2260 C CA . VAL A 1 308 ? 18.172 24.588 11.274 1.00 9.17 ? 308 VAL A CA 1 ATOM 2261 C C . VAL A 1 308 ? 19.589 25.124 11.066 1.00 9.37 ? 308 VAL A C 1 ATOM 2262 O O . VAL A 1 308 ? 20.436 24.396 10.559 1.00 9.88 ? 308 VAL A O 1 ATOM 2263 C CB . VAL A 1 308 ? 18.229 23.542 12.374 1.00 10.91 ? 308 VAL A CB 1 ATOM 2264 C CG1 . VAL A 1 308 ? 18.695 24.163 13.696 1.00 11.54 ? 308 VAL A CG1 1 ATOM 2265 C CG2 . VAL A 1 308 ? 16.877 22.838 12.490 1.00 12.51 ? 308 VAL A CG2 1 ATOM 2266 N N . VAL A 1 309 ? 19.840 26.360 11.451 1.00 8.21 ? 309 VAL A N 1 ATOM 2267 C CA . VAL A 1 309 ? 21.173 26.930 11.324 1.00 8.89 ? 309 VAL A CA 1 ATOM 2268 C C . VAL A 1 309 ? 21.861 26.941 12.696 1.00 9.69 ? 309 VAL A C 1 ATOM 2269 O O . VAL A 1 309 ? 21.302 27.461 13.669 1.00 10.02 ? 309 VAL A O 1 ATOM 2270 C CB . VAL A 1 309 ? 21.104 28.361 10.782 1.00 9.75 ? 309 VAL A CB 1 ATOM 2271 C CG1 . VAL A 1 309 ? 22.505 29.000 10.749 1.00 10.16 ? 309 VAL A CG1 1 ATOM 2272 C CG2 . VAL A 1 309 ? 20.496 28.364 9.386 1.00 11.23 ? 309 VAL A CG2 1 ATOM 2273 N N . PHE A 1 310 ? 23.056 26.355 12.779 1.00 9.53 ? 310 PHE A N 1 ATOM 2274 C CA . PHE A 1 310 ? 23.848 26.339 14.014 1.00 8.38 ? 310 PHE A CA 1 ATOM 2275 C C . PHE A 1 310 ? 24.923 27.388 13.839 1.00 9.00 ? 310 PHE A C 1 ATOM 2276 O O . PHE A 1 310 ? 25.878 27.176 13.115 1.00 9.19 ? 310 PHE A O 1 ATOM 2277 C CB . PHE A 1 310 ? 24.466 24.965 14.186 1.00 8.28 ? 310 PHE A CB 1 ATOM 2278 C CG . PHE A 1 310 ? 23.459 23.889 14.457 1.00 9.24 ? 310 PHE A CG 1 ATOM 2279 C CD1 . PHE A 1 310 ? 22.663 23.389 13.436 1.00 9.88 ? 310 PHE A CD1 1 ATOM 2280 C CD2 . PHE A 1 310 ? 23.372 23.300 15.729 1.00 9.67 ? 310 PHE A CD2 1 ATOM 2281 C CE1 . PHE A 1 310 ? 21.774 22.326 13.687 1.00 10.60 ? 310 PHE A CE1 1 ATOM 2282 C CE2 . PHE A 1 310 ? 22.470 22.257 15.983 1.00 10.17 ? 310 PHE A CE2 1 ATOM 2283 C CZ . PHE A 1 310 ? 21.678 21.771 14.983 1.00 10.53 ? 310 PHE A CZ 1 ATOM 2284 N N . ASP A 1 311 ? 24.754 28.531 14.477 1.00 9.93 ? 311 ASP A N 1 ATOM 2285 C CA . ASP A 1 311 ? 25.662 29.655 14.290 1.00 10.90 ? 311 ASP A CA 1 ATOM 2286 C C . ASP A 1 311 ? 26.563 29.878 15.504 1.00 11.69 ? 311 ASP A C 1 ATOM 2287 O O . ASP A 1 311 ? 26.064 30.078 16.626 1.00 11.90 ? 311 ASP A O 1 ATOM 2288 C CB . ASP A 1 311 ? 24.788 30.865 13.989 1.00 13.22 ? 311 ASP A CB 1 ATOM 2289 C CG . ASP A 1 311 ? 25.579 32.109 13.607 1.00 16.33 ? 311 ASP A CG 1 ATOM 2290 O OD1 . ASP A 1 311 ? 26.826 32.131 13.731 1.00 16.64 ? 311 ASP A OD1 1 ATOM 2291 O OD2 . ASP A 1 311 ? 24.907 33.104 13.229 1.00 17.36 ? 311 ASP A OD2 1 ATOM 2292 N N . SER A 1 312 ? 27.886 29.775 15.321 1.00 11.83 ? 312 SER A N 1 ATOM 2293 C CA . SER A 1 312 ? 28.784 29.962 16.450 1.00 14.63 ? 312 SER A CA 1 ATOM 2294 C C . SER A 1 312 ? 28.821 31.399 16.930 1.00 15.02 ? 312 SER A C 1 ATOM 2295 O O . SER A 1 312 ? 29.275 31.626 18.027 1.00 15.79 ? 312 SER A O 1 ATOM 2296 C CB . SER A 1 312 ? 30.200 29.439 16.183 1.00 17.93 ? 312 SER A CB 1 ATOM 2297 O OG . SER A 1 312 ? 30.790 30.237 15.185 1.00 20.67 ? 312 SER A OG 1 ATOM 2298 N N . ASP A 1 313 ? 28.391 32.363 16.114 1.00 15.23 ? 313 ASP A N 1 ATOM 2299 C CA . ASP A 1 313 ? 28.338 33.770 16.548 1.00 18.65 ? 313 ASP A CA 1 ATOM 2300 C C . ASP A 1 313 ? 27.102 33.972 17.425 1.00 18.54 ? 313 ASP A C 1 ATOM 2301 O O . ASP A 1 313 ? 25.975 33.946 16.935 1.00 19.66 ? 313 ASP A O 1 ATOM 2302 C CB . ASP A 1 313 ? 28.227 34.724 15.345 1.00 24.09 ? 313 ASP A CB 1 ATOM 2303 C CG . ASP A 1 313 ? 29.572 34.961 14.636 1.00 30.66 ? 313 ASP A CG 1 ATOM 2304 O OD1 . ASP A 1 313 ? 30.671 34.668 15.235 1.00 32.25 ? 313 ASP A OD1 1 ATOM 2305 O OD2 . ASP A 1 313 ? 29.539 35.503 13.488 1.00 33.25 ? 313 ASP A OD2 1 ATOM 2306 N N . GLY A 1 314 ? 27.303 34.161 18.721 1.00 17.32 ? 314 GLY A N 1 ATOM 2307 C CA . GLY A 1 314 ? 26.183 34.336 19.644 1.00 16.62 ? 314 GLY A CA 1 ATOM 2308 C C . GLY A 1 314 ? 26.501 33.534 20.904 1.00 16.43 ? 314 GLY A C 1 ATOM 2309 O O . GLY A 1 314 ? 26.883 34.093 21.922 1.00 19.25 ? 314 GLY A O 1 ATOM 2310 N N . PRO A 1 315 ? 26.435 32.215 20.833 1.00 13.06 ? 315 PRO A N 1 ATOM 2311 C CA . PRO A 1 315 ? 25.966 31.466 19.665 1.00 11.46 ? 315 PRO A CA 1 ATOM 2312 C C . PRO A 1 315 ? 24.436 31.543 19.543 1.00 11.28 ? 315 PRO A C 1 ATOM 2313 O O . PRO A 1 315 ? 23.767 32.003 20.469 1.00 12.01 ? 315 PRO A O 1 ATOM 2314 C CB . PRO A 1 315 ? 26.397 30.031 19.987 1.00 11.40 ? 315 PRO A CB 1 ATOM 2315 C CG . PRO A 1 315 ? 26.516 29.989 21.487 1.00 12.62 ? 315 PRO A CG 1 ATOM 2316 C CD . PRO A 1 315 ? 26.959 31.349 21.902 1.00 12.94 ? 315 PRO A CD 1 ATOM 2317 N N . GLN A 1 316 ? 23.878 31.075 18.426 1.00 11.97 ? 316 GLN A N 1 ATOM 2318 C CA . GLN A 1 316 ? 22.432 31.112 18.236 1.00 13.06 ? 316 GLN A CA 1 ATOM 2319 C C . GLN A 1 316 ? 21.989 30.076 17.210 1.00 11.90 ? 316 GLN A C 1 ATOM 2320 O O . GLN A 1 316 ? 22.813 29.526 16.478 1.00 12.34 ? 316 GLN A O 1 ATOM 2321 C CB . GLN A 1 316 ? 21.988 32.509 17.789 1.00 15.68 ? 316 GLN A CB 1 ATOM 2322 C CG . GLN A 1 316 ? 22.573 32.899 16.473 1.00 19.43 ? 316 GLN A CG 1 ATOM 2323 C CD . GLN A 1 316 ? 22.397 34.382 16.172 1.00 23.41 ? 316 GLN A CD 1 ATOM 2324 O OE1 . GLN A 1 316 ? 21.472 35.022 16.647 1.00 23.63 ? 316 GLN A OE1 1 ATOM 2325 N NE2 . GLN A 1 316 ? 23.341 34.945 15.434 1.00 26.05 ? 316 GLN A NE2 1 ATOM 2326 N N . LEU A 1 317 ? 20.721 29.699 17.300 1.00 10.22 ? 317 LEU A N 1 ATOM 2327 C CA . LEU A 1 317 ? 20.100 28.774 16.372 1.00 9.62 ? 317 LEU A CA 1 ATOM 2328 C C . LEU A 1 317 ? 19.066 29.521 15.540 1.00 10.22 ? 317 LEU A C 1 ATOM 2329 O O . LEU A 1 317 ? 18.339 30.382 16.061 1.00 11.21 ? 317 LEU A O 1 ATOM 2330 C CB . LEU A 1 317 ? 19.389 27.680 17.135 1.00 10.28 ? 317 LEU A CB 1 ATOM 2331 C CG . LEU A 1 317 ? 20.282 26.614 17.759 1.00 11.20 ? 317 LEU A CG 1 ATOM 2332 C CD1 . LEU A 1 317 ? 19.405 25.802 18.739 1.00 12.32 ? 317 LEU A CD1 1 ATOM 2333 C CD2 . LEU A 1 317 ? 20.751 25.677 16.672 1.00 10.96 ? 317 LEU A CD2 1 ATOM 2334 N N . GLY A 1 318 ? 18.997 29.196 14.255 1.00 9.86 ? 318 GLY A N 1 ATOM 2335 C CA . GLY A 1 318 ? 18.012 29.769 13.352 1.00 9.63 ? 318 GLY A CA 1 ATOM 2336 C C . GLY A 1 318 ? 17.070 28.641 12.895 1.00 9.63 ? 318 GLY A C 1 ATOM 2337 O O . GLY A 1 318 ? 17.525 27.529 12.542 1.00 9.49 ? 318 GLY A O 1 ATOM 2338 N N . PHE A 1 319 ? 15.783 28.963 12.755 1.00 9.46 ? 319 PHE A N 1 ATOM 2339 C CA . PHE A 1 319 ? 14.785 27.975 12.319 1.00 9.84 ? 319 PHE A CA 1 ATOM 2340 C C . PHE A 1 319 ? 13.828 28.543 11.270 1.00 8.63 ? 319 PHE A C 1 ATOM 2341 O O . PHE A 1 319 ? 13.453 29.712 11.337 1.00 8.97 ? 319 PHE A O 1 ATOM 2342 C CB . PHE A 1 319 ? 13.865 27.606 13.512 1.00 10.29 ? 319 PHE A CB 1 ATOM 2343 C CG . PHE A 1 319 ? 14.573 26.972 14.679 1.00 11.04 ? 319 PHE A CG 1 ATOM 2344 C CD1 . PHE A 1 319 ? 15.086 27.759 15.707 1.00 11.54 ? 319 PHE A CD1 1 ATOM 2345 C CD2 . PHE A 1 319 ? 14.673 25.596 14.773 1.00 11.38 ? 319 PHE A CD2 1 ATOM 2346 C CE1 . PHE A 1 319 ? 15.714 27.166 16.798 1.00 11.84 ? 319 PHE A CE1 1 ATOM 2347 C CE2 . PHE A 1 319 ? 15.312 25.008 15.860 1.00 11.84 ? 319 PHE A CE2 1 ATOM 2348 C CZ . PHE A 1 319 ? 15.807 25.793 16.868 1.00 11.46 ? 319 PHE A CZ 1 ATOM 2349 N N . ALA A 1 320 ? 13.376 27.664 10.368 1.00 9.66 ? 320 ALA A N 1 ATOM 2350 C CA . ALA A 1 320 ? 12.343 27.984 9.392 1.00 10.20 ? 320 ALA A CA 1 ATOM 2351 C C . ALA A 1 320 ? 11.850 26.650 8.853 1.00 11.04 ? 320 ALA A C 1 ATOM 2352 O O . ALA A 1 320 ? 12.556 25.640 8.964 1.00 11.89 ? 320 ALA A O 1 ATOM 2353 C CB . ALA A 1 320 ? 12.887 28.872 8.270 1.00 10.39 ? 320 ALA A CB 1 ATOM 2354 N N . PRO A 1 321 ? 10.629 26.606 8.333 1.00 9.85 ? 321 PRO A N 1 ATOM 2355 C CA . PRO A 1 321 ? 10.090 25.346 7.835 1.00 10.45 ? 321 PRO A CA 1 ATOM 2356 C C . PRO A 1 321 ? 10.833 24.893 6.592 1.00 10.97 ? 321 PRO A C 1 ATOM 2357 O O . PRO A 1 321 ? 11.130 25.708 5.707 1.00 11.34 ? 321 PRO A O 1 ATOM 2358 C CB . PRO A 1 321 ? 8.631 25.692 7.467 1.00 10.75 ? 321 PRO A CB 1 ATOM 2359 C CG . PRO A 1 321 ? 8.379 27.017 8.021 1.00 10.76 ? 321 PRO A CG 1 ATOM 2360 C CD . PRO A 1 321 ? 9.683 27.718 8.178 1.00 10.47 ? 321 PRO A CD 1 ATOM 2361 N N . GLN A 1 322 ? 11.133 23.605 6.506 1.00 12.16 ? 322 GLN A N 1 ATOM 2362 C CA . GLN A 1 322 ? 11.820 23.103 5.306 1.00 14.43 ? 322 GLN A CA 1 ATOM 2363 C C . GLN A 1 322 ? 10.932 23.293 4.083 1.00 17.77 ? 322 GLN A C 1 ATOM 2364 O O . GLN A 1 322 ? 9.707 23.112 4.156 1.00 18.21 ? 322 GLN A O 1 ATOM 2365 C CB . GLN A 1 322 ? 12.156 21.613 5.399 1.00 15.69 ? 322 GLN A CB 1 ATOM 2366 C CG . GLN A 1 322 ? 13.348 21.289 6.228 1.00 17.72 ? 322 GLN A CG 1 ATOM 2367 C CD . GLN A 1 322 ? 13.777 19.831 6.086 1.00 18.23 ? 322 GLN A CD 1 ATOM 2368 O OE1 . GLN A 1 322 ? 13.586 19.215 5.039 1.00 20.26 ? 322 GLN A OE1 1 ATOM 2369 N NE2 . GLN A 1 322 ? 14.259 19.256 7.163 1.00 16.67 ? 322 GLN A NE2 1 ATOM 2370 N N . ALA A 1 323 ? 11.543 23.621 2.951 1.00 20.28 ? 323 ALA A N 1 ATOM 2371 C CA . ALA A 1 323 ? 10.771 23.787 1.723 1.00 24.13 ? 323 ALA A CA 1 ATOM 2372 C C . ALA A 1 323 ? 10.473 22.420 1.094 1.00 29.65 ? 323 ALA A C 1 ATOM 2373 O O . ALA A 1 323 ? 11.210 21.441 1.344 1.00 30.55 ? 323 ALA A O 1 ATOM 2374 C CB . ALA A 1 323 ? 11.486 24.675 0.773 1.00 23.17 ? 323 ALA A CB 1 ATOM 2375 O OXT . ALA A 1 323 ? 9.467 22.281 0.363 1.00 32.62 ? 323 ALA A OXT 1 HETATM 2376 C C1 . MAN B 2 . ? 30.296 27.879 -0.430 1.00 18.41 ? 324 MAN A C1 1 HETATM 2377 C C2 . MAN B 2 . ? 30.355 27.480 -1.893 1.00 20.95 ? 324 MAN A C2 1 HETATM 2378 C C3 . MAN B 2 . ? 31.770 27.707 -2.389 1.00 21.83 ? 324 MAN A C3 1 HETATM 2379 C C4 . MAN B 2 . ? 32.137 29.163 -2.186 1.00 20.96 ? 324 MAN A C4 1 HETATM 2380 C C5 . MAN B 2 . ? 32.047 29.468 -0.699 1.00 20.08 ? 324 MAN A C5 1 HETATM 2381 C C6 . MAN B 2 . ? 32.438 30.886 -0.322 1.00 20.88 ? 324 MAN A C6 1 HETATM 2382 O O2 . MAN B 2 . ? 29.436 28.301 -2.643 1.00 22.10 ? 324 MAN A O2 1 HETATM 2383 O O3 . MAN B 2 . ? 31.875 27.374 -3.779 1.00 23.57 ? 324 MAN A O3 1 HETATM 2384 O O4 . MAN B 2 . ? 33.460 29.367 -2.641 1.00 21.43 ? 324 MAN A O4 1 HETATM 2385 O O5 . MAN B 2 . ? 30.696 29.236 -0.267 1.00 18.27 ? 324 MAN A O5 1 HETATM 2386 O O6 . MAN B 2 . ? 31.535 31.830 -0.884 1.00 22.06 ? 324 MAN A O6 1 HETATM 2387 C C1 . MAN C 2 . ? 25.381 15.478 -1.845 1.00 30.77 ? 325 MAN A C1 1 HETATM 2388 C C2 . MAN C 2 . ? 25.581 16.928 -2.267 1.00 33.81 ? 325 MAN A C2 1 HETATM 2389 C C3 . MAN C 2 . ? 24.257 17.539 -2.632 1.00 34.86 ? 325 MAN A C3 1 HETATM 2390 C C4 . MAN C 2 . ? 23.633 16.743 -3.743 1.00 36.21 ? 325 MAN A C4 1 HETATM 2391 C C5 . MAN C 2 . ? 23.476 15.296 -3.291 1.00 36.34 ? 325 MAN A C5 1 HETATM 2392 C C6 . MAN C 2 . ? 22.964 14.379 -4.387 1.00 38.88 ? 325 MAN A C6 1 HETATM 2393 O O2 . MAN C 2 . ? 26.378 16.979 -3.453 1.00 35.88 ? 325 MAN A O2 1 HETATM 2394 O O3 . MAN C 2 . ? 24.419 18.877 -3.106 1.00 35.02 ? 325 MAN A O3 1 HETATM 2395 O O4 . MAN C 2 . ? 22.347 17.308 -3.905 1.00 38.01 ? 325 MAN A O4 1 HETATM 2396 O O5 . MAN C 2 . ? 24.750 14.757 -2.897 1.00 33.81 ? 325 MAN A O5 1 HETATM 2397 O O6 . MAN C 2 . ? 23.512 13.023 -4.225 1.00 40.19 ? 325 MAN A O6 1 HETATM 2398 S S . SO4 D 3 . ? 16.465 34.815 5.712 1.00 58.42 ? 326 SO4 A S 1 HETATM 2399 O O1 . SO4 D 3 . ? 17.906 34.894 5.545 1.00 58.98 ? 326 SO4 A O1 1 HETATM 2400 O O2 . SO4 D 3 . ? 16.182 35.018 7.101 1.00 58.70 ? 326 SO4 A O2 1 HETATM 2401 O O3 . SO4 D 3 . ? 15.850 35.875 4.915 1.00 58.97 ? 326 SO4 A O3 1 HETATM 2402 O O4 . SO4 D 3 . ? 15.943 33.497 5.280 1.00 58.35 ? 326 SO4 A O4 1 HETATM 2403 O OI . PP6 E 4 . ? 18.565 8.155 19.663 1.00 15.22 ? 327 PP6 A OI 1 HETATM 2404 C C1 . PP6 E 4 . ? 21.044 5.474 19.163 1.00 16.02 ? 327 PP6 A C1 1 HETATM 2405 C C2 . PP6 E 4 . ? 20.940 4.100 19.149 1.00 18.42 ? 327 PP6 A C2 1 HETATM 2406 C C3 . PP6 E 4 . ? 22.021 3.263 19.505 1.00 18.14 ? 327 PP6 A C3 1 HETATM 2407 C C4 . PP6 E 4 . ? 23.273 3.770 19.770 1.00 17.47 ? 327 PP6 A C4 1 HETATM 2408 C C5 . PP6 E 4 . ? 23.441 5.206 19.778 1.00 15.93 ? 327 PP6 A C5 1 HETATM 2409 C C6 . PP6 E 4 . ? 22.339 6.053 19.453 1.00 15.11 ? 327 PP6 A C6 1 HETATM 2410 C C7 . PP6 E 4 . ? 22.508 7.460 19.546 1.00 13.32 ? 327 PP6 A C7 1 HETATM 2411 C C8 . PP6 E 4 . ? 23.719 8.017 19.897 1.00 13.20 ? 327 PP6 A C8 1 HETATM 2412 C C9 . PP6 E 4 . ? 24.811 7.171 20.200 1.00 13.14 ? 327 PP6 A C9 1 HETATM 2413 C C10 . PP6 E 4 . ? 24.654 5.813 20.169 1.00 13.91 ? 327 PP6 A C10 1 HETATM 2414 C C11 . PP6 E 4 . ? 19.796 6.315 18.899 1.00 14.97 ? 327 PP6 A C11 1 HETATM 2415 C C12 . PP6 E 4 . ? 19.447 7.308 19.993 1.00 14.72 ? 327 PP6 A C12 1 HETATM 2416 C C13 . PP6 E 4 . ? 23.875 9.510 19.976 1.00 11.99 ? 327 PP6 A C13 1 HETATM 2417 C C14 . PP6 E 4 . ? 23.340 9.986 21.335 1.00 12.36 ? 327 PP6 A C14 1 HETATM 2418 N NV . PP6 E 4 . ? 20.015 7.334 21.198 1.00 13.65 ? 327 PP6 A NV 1 HETATM 2419 C CAV . PP6 E 4 . ? 19.870 8.339 22.250 1.00 14.33 ? 327 PP6 A CAV 1 HETATM 2420 C CV . PP6 E 4 . ? 21.375 8.687 22.223 1.00 13.91 ? 327 PP6 A CV 1 HETATM 2421 O OV . PP6 E 4 . ? 22.180 8.078 22.948 1.00 13.55 ? 327 PP6 A OV 1 HETATM 2422 C CBV . PP6 E 4 . ? 19.330 7.877 23.622 1.00 15.43 ? 327 PP6 A CBV 1 HETATM 2423 C CV1 . PP6 E 4 . ? 19.178 9.322 24.099 1.00 16.05 ? 327 PP6 A CV1 1 HETATM 2424 C CV2 . PP6 E 4 . ? 17.943 7.537 23.064 1.00 16.25 ? 327 PP6 A CV2 1 HETATM 2425 N NL . PP6 E 4 . ? 21.927 9.665 21.494 1.00 13.28 ? 327 PP6 A NL 1 HETATM 2426 P P . PP6 E 4 . ? 23.516 11.772 21.455 1.00 12.47 ? 327 PP6 A P 1 HETATM 2427 O O . PP6 E 4 . ? 24.929 12.126 21.295 1.00 12.03 ? 327 PP6 A O 1 HETATM 2428 O OH . PP6 E 4 . ? 22.613 12.442 20.523 1.00 13.78 ? 327 PP6 A OH 1 HETATM 2429 C CA . PP6 E 4 . ? 24.046 12.973 23.776 1.00 18.73 ? 327 PP6 A CA 1 HETATM 2430 C CB . PP6 E 4 . ? 23.247 13.789 24.826 1.00 20.08 ? 327 PP6 A CB 1 HETATM 2431 C CG A PP6 E 4 . ? 21.977 13.133 25.310 0.45 20.64 ? 327 PP6 A CG 1 HETATM 2432 C CG B PP6 E 4 . ? 22.756 12.954 26.012 0.55 19.14 ? 327 PP6 A CG 1 HETATM 2433 C CD1 A PP6 E 4 . ? 20.987 12.752 24.427 0.45 20.51 ? 327 PP6 A CD1 1 HETATM 2434 C CD1 B PP6 E 4 . ? 21.421 12.582 26.103 0.55 18.81 ? 327 PP6 A CD1 1 HETATM 2435 C CD2 A PP6 E 4 . ? 21.741 12.982 26.664 0.45 20.67 ? 327 PP6 A CD2 1 HETATM 2436 C CD2 B PP6 E 4 . ? 23.612 12.571 27.045 0.55 18.50 ? 327 PP6 A CD2 1 HETATM 2437 C CE1 A PP6 E 4 . ? 19.870 12.110 24.868 0.45 20.12 ? 327 PP6 A CE1 1 HETATM 2438 C CE1 B PP6 E 4 . ? 20.963 11.824 27.171 0.55 18.04 ? 327 PP6 A CE1 1 HETATM 2439 C CE2 A PP6 E 4 . ? 20.579 12.382 27.115 0.45 20.19 ? 327 PP6 A CE2 1 HETATM 2440 C CE2 B PP6 E 4 . ? 23.161 11.776 28.088 0.55 18.28 ? 327 PP6 A CE2 1 HETATM 2441 C CZ A PP6 E 4 . ? 19.638 11.961 26.211 0.45 19.86 ? 327 PP6 A CZ 1 HETATM 2442 C CZ B PP6 E 4 . ? 21.831 11.438 28.165 0.55 17.80 ? 327 PP6 A CZ 1 HETATM 2443 C C . PP6 E 4 . ? 24.872 11.890 24.461 1.00 23.59 ? 327 PP6 A C 1 HETATM 2444 C CS . PP6 E 4 . ? 27.035 11.771 25.469 1.00 28.69 ? 327 PP6 A CS 1 HETATM 2445 O OP . PP6 E 4 . ? 23.251 12.170 22.960 1.00 14.92 ? 327 PP6 A OP 1 HETATM 2446 O OS . PP6 E 4 . ? 25.743 12.497 25.260 1.00 27.82 ? 327 PP6 A OS 1 HETATM 2447 O OE . PP6 E 4 . ? 24.623 10.724 24.565 1.00 24.13 ? 327 PP6 A OE 1 HETATM 2448 O O . HOH F 5 . ? 34.101 16.341 15.333 1.00 9.06 ? 328 HOH A O 1 HETATM 2449 O O . HOH F 5 . ? 13.987 22.348 30.965 1.00 14.07 ? 329 HOH A O 1 HETATM 2450 O O . HOH F 5 . ? 35.662 15.897 17.713 0.97 10.78 ? 330 HOH A O 1 HETATM 2451 O O . HOH F 5 . ? 17.829 13.305 4.918 0.99 10.19 ? 331 HOH A O 1 HETATM 2452 O O . HOH F 5 . ? 23.163 19.892 21.036 0.95 10.31 ? 332 HOH A O 1 HETATM 2453 O O . HOH F 5 . ? 24.477 23.590 26.911 1.00 12.34 ? 333 HOH A O 1 HETATM 2454 O O . HOH F 5 . ? 8.904 18.492 27.461 1.00 17.01 ? 334 HOH A O 1 HETATM 2455 O O . HOH F 5 . ? 37.942 14.472 17.903 1.00 13.19 ? 335 HOH A O 1 HETATM 2456 O O . HOH F 5 . ? 9.777 35.237 24.092 0.92 37.96 ? 336 HOH A O 1 HETATM 2457 O O . HOH F 5 . ? 16.909 19.472 9.610 0.94 8.88 ? 337 HOH A O 1 HETATM 2458 O O . HOH F 5 . ? 41.035 18.330 16.555 1.00 12.35 ? 338 HOH A O 1 HETATM 2459 O O . HOH F 5 . ? 46.831 8.051 21.685 0.94 15.42 ? 339 HOH A O 1 HETATM 2460 O O . HOH F 5 . ? 13.688 9.811 12.789 0.95 14.41 ? 340 HOH A O 1 HETATM 2461 O O . HOH F 5 . ? 31.487 14.547 23.479 1.00 12.33 ? 341 HOH A O 1 HETATM 2462 O O . HOH F 5 . ? -3.335 19.001 15.779 1.00 17.50 ? 342 HOH A O 1 HETATM 2463 O O . HOH F 5 . ? 15.717 8.242 20.039 0.97 15.28 ? 343 HOH A O 1 HETATM 2464 O O . HOH F 5 . ? 22.420 22.927 0.225 0.93 12.47 ? 344 HOH A O 1 HETATM 2465 O O . HOH F 5 . ? 13.689 31.185 1.773 0.95 14.07 ? 345 HOH A O 1 HETATM 2466 O O . HOH F 5 . ? 16.697 30.372 23.426 0.99 15.61 ? 346 HOH A O 1 HETATM 2467 O O . HOH F 5 . ? 7.931 6.942 26.257 0.90 16.70 ? 347 HOH A O 1 HETATM 2468 O O . HOH F 5 . ? 7.158 25.051 11.293 1.00 18.01 ? 348 HOH A O 1 HETATM 2469 O O . HOH F 5 . ? 12.791 26.372 -2.307 0.84 15.56 ? 349 HOH A O 1 HETATM 2470 O O . HOH F 5 . ? 11.686 19.436 29.034 0.88 16.87 ? 350 HOH A O 1 HETATM 2471 O O . HOH F 5 . ? 22.068 8.667 15.639 0.90 16.56 ? 351 HOH A O 1 HETATM 2472 O O . HOH F 5 . ? 42.453 19.750 18.903 0.99 21.13 ? 352 HOH A O 1 HETATM 2473 O O . HOH F 5 . ? 31.677 22.322 17.433 0.84 15.94 ? 353 HOH A O 1 HETATM 2474 O O . HOH F 5 . ? 25.170 12.155 9.300 0.97 18.95 ? 354 HOH A O 1 HETATM 2475 O O . HOH F 5 . ? 37.487 4.849 0.612 0.88 14.66 ? 355 HOH A O 1 HETATM 2476 O O . HOH F 5 . ? 17.020 13.271 36.600 1.00 26.15 ? 356 HOH A O 1 HETATM 2477 O O . HOH F 5 . ? 27.291 14.444 24.693 0.54 20.57 ? 357 HOH A O 1 HETATM 2478 O O . HOH F 5 . ? 28.088 1.520 14.656 0.99 21.18 ? 358 HOH A O 1 HETATM 2479 O O . HOH F 5 . ? 31.338 14.417 2.641 0.96 20.80 ? 359 HOH A O 1 HETATM 2480 O O . HOH F 5 . ? 14.363 6.158 5.472 0.87 18.09 ? 360 HOH A O 1 HETATM 2481 O O . HOH F 5 . ? 21.680 10.968 12.831 0.90 16.10 ? 361 HOH A O 1 HETATM 2482 O O . HOH F 5 . ? 9.041 10.763 10.773 0.96 19.84 ? 362 HOH A O 1 HETATM 2483 O O . HOH F 5 . ? 33.323 25.351 20.803 0.83 21.17 ? 363 HOH A O 1 HETATM 2484 O O . HOH F 5 . ? 20.551 30.228 -1.353 0.85 18.26 ? 364 HOH A O 1 HETATM 2485 O O . HOH F 5 . ? 34.307 32.097 9.598 0.82 19.82 ? 365 HOH A O 1 HETATM 2486 O O . HOH F 5 . ? 18.675 26.945 27.282 0.92 23.57 ? 366 HOH A O 1 HETATM 2487 O O . HOH F 5 . ? 27.307 17.967 28.870 0.99 24.01 ? 367 HOH A O 1 HETATM 2488 O O . HOH F 5 . ? 19.828 9.346 14.750 0.97 23.61 ? 368 HOH A O 1 HETATM 2489 O O . HOH F 5 . ? 15.514 36.405 14.149 0.77 23.57 ? 369 HOH A O 1 HETATM 2490 O O . HOH F 5 . ? 38.176 10.183 28.347 0.96 19.34 ? 370 HOH A O 1 HETATM 2491 O O . HOH F 5 . ? 10.315 31.262 0.602 0.91 18.00 ? 371 HOH A O 1 HETATM 2492 O O . HOH F 5 . ? 35.319 -4.076 21.478 1.00 21.25 ? 372 HOH A O 1 HETATM 2493 O O . HOH F 5 . ? -2.201 21.181 17.253 0.86 20.50 ? 373 HOH A O 1 HETATM 2494 O O . HOH F 5 . ? 31.256 1.684 5.153 0.95 20.78 ? 374 HOH A O 1 HETATM 2495 O O . HOH F 5 . ? 30.772 25.084 26.177 0.87 25.65 ? 375 HOH A O 1 HETATM 2496 O O . HOH F 5 . ? 29.420 0.690 7.371 1.00 23.76 ? 376 HOH A O 1 HETATM 2497 O O . HOH F 5 . ? 33.623 24.807 23.487 0.83 18.61 ? 377 HOH A O 1 HETATM 2498 O O . HOH F 5 . ? 11.203 31.503 10.856 0.96 16.40 ? 378 HOH A O 1 HETATM 2499 O O . HOH F 5 . ? 28.617 14.376 0.632 0.66 17.85 ? 379 HOH A O 1 HETATM 2500 O O . HOH F 5 . ? 40.298 1.819 25.279 0.95 23.45 ? 380 HOH A O 1 HETATM 2501 O O . HOH F 5 . ? 47.586 20.637 30.776 0.76 21.34 ? 381 HOH A O 1 HETATM 2502 O O . HOH F 5 . ? 38.847 27.622 13.565 0.82 16.02 ? 382 HOH A O 1 HETATM 2503 O O . HOH F 5 . ? 7.687 32.854 21.785 0.98 25.56 ? 383 HOH A O 1 HETATM 2504 O O . HOH F 5 . ? 38.372 15.837 28.212 1.00 32.52 ? 384 HOH A O 1 HETATM 2505 O O . HOH F 5 . ? 23.248 13.223 11.118 0.86 16.00 ? 385 HOH A O 1 HETATM 2506 O O . HOH F 5 . ? 52.393 3.167 19.733 1.00 31.84 ? 386 HOH A O 1 HETATM 2507 O O . HOH F 5 . ? 41.439 4.059 25.885 0.84 23.82 ? 387 HOH A O 1 HETATM 2508 O O . HOH F 5 . ? 0.394 21.837 17.115 1.00 29.66 ? 388 HOH A O 1 HETATM 2509 O O . HOH F 5 . ? 0.407 26.688 18.512 0.94 32.17 ? 389 HOH A O 1 HETATM 2510 O O . HOH F 5 . ? 34.284 15.491 0.173 0.98 32.48 ? 390 HOH A O 1 HETATM 2511 O O . HOH F 5 . ? 11.657 17.071 5.504 0.84 25.61 ? 391 HOH A O 1 HETATM 2512 O O . HOH F 5 . ? 10.993 15.107 4.512 0.96 33.10 ? 392 HOH A O 1 HETATM 2513 O O . HOH F 5 . ? 25.195 32.255 3.539 1.00 28.19 ? 393 HOH A O 1 HETATM 2514 O O . HOH F 5 . ? 49.773 6.306 24.098 0.87 39.07 ? 394 HOH A O 1 HETATM 2515 O O . HOH F 5 . ? 7.012 0.884 27.332 1.00 28.36 ? 395 HOH A O 1 HETATM 2516 O O . HOH F 5 . ? 40.245 8.279 28.483 0.98 25.94 ? 396 HOH A O 1 HETATM 2517 O O . HOH F 5 . ? 51.530 3.766 21.777 1.00 24.11 ? 397 HOH A O 1 HETATM 2518 O O . HOH F 5 . ? 32.561 -10.914 12.395 0.60 23.10 ? 398 HOH A O 1 HETATM 2519 O O . HOH F 5 . ? 6.632 15.209 33.761 0.80 21.96 ? 399 HOH A O 1 HETATM 2520 O O . HOH F 5 . ? 14.923 8.627 27.495 0.93 28.29 ? 400 HOH A O 1 HETATM 2521 O O . HOH F 5 . ? 25.732 30.455 25.710 0.85 30.24 ? 401 HOH A O 1 HETATM 2522 O O . HOH F 5 . ? 34.900 1.422 26.057 0.99 34.67 ? 402 HOH A O 1 HETATM 2523 O O . HOH F 5 . ? 49.621 22.070 28.308 0.63 14.78 ? 403 HOH A O 1 HETATM 2524 O O . HOH F 5 . ? -5.028 7.248 24.289 1.00 31.86 ? 404 HOH A O 1 HETATM 2525 O O . HOH F 5 . ? 33.474 -0.159 25.211 1.00 36.23 ? 405 HOH A O 1 HETATM 2526 O O . HOH F 5 . ? 9.797 13.648 32.598 0.95 23.23 ? 406 HOH A O 1 HETATM 2527 O O . HOH F 5 . ? 44.600 6.175 6.366 0.92 39.23 ? 407 HOH A O 1 HETATM 2528 O O . HOH F 5 . ? 21.340 32.382 1.538 0.89 29.48 ? 408 HOH A O 1 HETATM 2529 O O . HOH F 5 . ? 39.102 23.144 2.847 0.75 24.62 ? 409 HOH A O 1 HETATM 2530 O O . HOH F 5 . ? 12.203 31.055 22.776 1.00 29.29 ? 410 HOH A O 1 HETATM 2531 O O . HOH F 5 . ? 10.664 7.812 10.708 0.74 22.17 ? 411 HOH A O 1 HETATM 2532 O O . HOH F 5 . ? 43.185 -6.262 15.894 0.88 24.02 ? 412 HOH A O 1 HETATM 2533 O O . HOH F 5 . ? 46.458 18.698 22.823 0.93 28.84 ? 413 HOH A O 1 HETATM 2534 O O . HOH F 5 . ? 30.922 10.054 28.099 1.00 27.77 ? 414 HOH A O 1 HETATM 2535 O O . HOH F 5 . ? -6.330 16.107 18.985 0.77 28.74 ? 415 HOH A O 1 HETATM 2536 O O . HOH F 5 . ? 14.756 33.511 2.186 1.00 48.42 ? 416 HOH A O 1 HETATM 2537 O O . HOH F 5 . ? 7.867 21.629 7.376 0.99 44.99 ? 417 HOH A O 1 HETATM 2538 O O . HOH F 5 . ? 46.124 18.673 19.079 0.76 41.10 ? 418 HOH A O 1 HETATM 2539 O O . HOH F 5 . ? 37.695 -1.341 5.059 0.89 50.19 ? 419 HOH A O 1 HETATM 2540 O O . HOH F 5 . ? 18.386 22.211 27.594 0.67 19.53 ? 420 HOH A O 1 HETATM 2541 O O . HOH F 5 . ? 45.273 9.177 28.828 0.98 31.13 ? 421 HOH A O 1 HETATM 2542 O O . HOH F 5 . ? 25.039 10.143 1.580 0.84 53.03 ? 422 HOH A O 1 HETATM 2543 O O . HOH F 5 . ? 34.230 12.774 1.779 1.00 24.70 ? 423 HOH A O 1 HETATM 2544 O O . HOH F 5 . ? 43.824 -5.405 12.348 0.50 22.30 ? 424 HOH A O 1 HETATM 2545 O O . HOH F 5 . ? 16.467 15.359 -1.329 0.42 21.49 ? 425 HOH A O 1 HETATM 2546 O O . HOH F 5 . ? 42.106 23.079 16.674 0.86 31.16 ? 426 HOH A O 1 HETATM 2547 O O . HOH F 5 . ? -1.144 17.878 9.589 0.90 40.23 ? 427 HOH A O 1 HETATM 2548 O O . HOH F 5 . ? 0.838 28.134 27.070 1.00 39.32 ? 428 HOH A O 1 HETATM 2549 O O . HOH F 5 . ? 12.966 4.723 4.373 0.53 34.58 ? 429 HOH A O 1 HETATM 2550 O O . HOH F 5 . ? 9.470 31.077 7.655 0.84 32.49 ? 430 HOH A O 1 HETATM 2551 O O . HOH F 5 . ? 9.754 24.107 32.249 1.00 33.90 ? 431 HOH A O 1 HETATM 2552 O O . HOH F 5 . ? 36.828 -4.051 7.171 0.97 35.93 ? 432 HOH A O 1 HETATM 2553 O O . HOH F 5 . ? -0.340 15.512 9.232 1.00 42.91 ? 433 HOH A O 1 HETATM 2554 O O . HOH F 5 . ? 22.613 20.889 -2.405 1.00 37.91 ? 434 HOH A O 1 HETATM 2555 O O . HOH F 5 . ? -8.488 4.070 10.363 1.00 37.29 ? 435 HOH A O 1 HETATM 2556 O O . HOH F 5 . ? -2.504 16.240 12.530 0.77 28.66 ? 436 HOH A O 1 HETATM 2557 O O . HOH F 5 . ? 23.854 36.804 11.113 0.79 57.95 ? 437 HOH A O 1 HETATM 2558 O O . HOH F 5 . ? 20.104 34.634 8.321 0.62 21.73 ? 438 HOH A O 1 HETATM 2559 O O . HOH F 5 . ? 5.402 31.391 13.167 0.72 20.41 ? 439 HOH A O 1 HETATM 2560 O O . HOH F 5 . ? 27.780 2.199 5.826 0.80 27.09 ? 440 HOH A O 1 HETATM 2561 O O . HOH F 5 . ? 17.120 34.452 22.812 0.99 42.34 ? 441 HOH A O 1 HETATM 2562 O O . HOH F 5 . ? 48.358 1.452 16.221 1.00 35.18 ? 442 HOH A O 1 HETATM 2563 O O . HOH F 5 . ? 38.221 -4.463 21.802 0.65 19.95 ? 443 HOH A O 1 HETATM 2564 O O . HOH F 5 . ? 38.783 -11.367 15.487 1.00 46.02 ? 444 HOH A O 1 HETATM 2565 O O . HOH F 5 . ? 44.087 3.115 24.993 1.00 33.27 ? 445 HOH A O 1 HETATM 2566 O O . HOH F 5 . ? -6.022 -2.679 15.301 0.74 25.70 ? 446 HOH A O 1 HETATM 2567 O O . HOH F 5 . ? 46.623 -1.270 13.705 1.00 36.00 ? 447 HOH A O 1 HETATM 2568 O O . HOH F 5 . ? 36.122 27.851 -1.492 0.83 37.34 ? 448 HOH A O 1 HETATM 2569 O O . HOH F 5 . ? 42.934 6.408 30.092 0.70 28.68 ? 449 HOH A O 1 HETATM 2570 O O . HOH F 5 . ? 50.345 19.526 24.814 1.00 55.52 ? 450 HOH A O 1 HETATM 2571 O O . HOH F 5 . ? 17.256 10.454 28.536 0.78 34.36 ? 451 HOH A O 1 HETATM 2572 O O . HOH F 5 . ? 26.189 29.991 29.491 1.00 54.13 ? 452 HOH A O 1 HETATM 2573 O O . HOH F 5 . ? 23.678 24.878 32.853 0.91 41.70 ? 453 HOH A O 1 HETATM 2574 O O . HOH F 5 . ? 31.932 14.941 28.270 0.69 34.11 ? 454 HOH A O 1 HETATM 2575 O O . HOH F 5 . ? 38.352 21.077 23.507 0.88 28.84 ? 455 HOH A O 1 HETATM 2576 O O . HOH F 5 . ? 50.890 6.527 13.275 0.41 21.99 ? 456 HOH A O 1 HETATM 2577 O O . HOH F 5 . ? 28.574 32.199 3.510 0.82 28.54 ? 457 HOH A O 1 HETATM 2578 O O . HOH F 5 . ? 25.903 35.568 12.629 0.96 29.41 ? 458 HOH A O 1 HETATM 2579 O O . HOH F 5 . ? 34.775 -6.206 5.659 1.00 51.82 ? 459 HOH A O 1 HETATM 2580 O O . HOH F 5 . ? 5.225 31.842 18.300 1.00 39.82 ? 460 HOH A O 1 HETATM 2581 O O . HOH F 5 . ? 8.721 27.644 -0.382 0.80 30.67 ? 461 HOH A O 1 HETATM 2582 O O . HOH F 5 . ? 23.254 5.379 15.919 1.00 50.04 ? 462 HOH A O 1 HETATM 2583 O O . HOH F 5 . ? 26.325 9.898 28.443 1.00 50.26 ? 463 HOH A O 1 HETATM 2584 O O . HOH F 5 . ? 5.033 22.385 9.691 1.00 51.76 ? 464 HOH A O 1 HETATM 2585 O O . HOH F 5 . ? 27.929 33.738 11.803 0.53 21.65 ? 465 HOH A O 1 HETATM 2586 O O . HOH F 5 . ? 49.008 12.477 10.043 0.81 36.74 ? 466 HOH A O 1 HETATM 2587 O O . HOH F 5 . ? 31.253 25.692 18.009 0.81 38.26 ? 467 HOH A O 1 HETATM 2588 O O . HOH F 5 . ? 29.206 19.476 30.689 1.00 35.87 ? 468 HOH A O 1 HETATM 2589 O O . HOH F 5 . ? 30.799 22.350 28.907 0.76 32.73 ? 469 HOH A O 1 HETATM 2590 O O . HOH F 5 . ? 2.343 23.205 31.836 0.94 50.94 ? 470 HOH A O 1 HETATM 2591 O O . HOH F 5 . ? 19.004 29.404 25.702 0.60 22.79 ? 471 HOH A O 1 HETATM 2592 O O . HOH F 5 . ? -5.966 -0.265 10.223 0.88 53.68 ? 472 HOH A O 1 HETATM 2593 O O . HOH F 5 . ? 22.286 23.030 28.451 0.77 22.26 ? 473 HOH A O 1 HETATM 2594 O O . HOH F 5 . ? 42.639 4.360 6.759 0.82 20.39 ? 474 HOH A O 1 HETATM 2595 O O . HOH F 5 . ? -7.357 22.698 25.436 1.00 29.42 ? 475 HOH A O 1 HETATM 2596 O O . HOH F 5 . ? 10.838 28.811 28.756 0.88 37.00 ? 476 HOH A O 1 HETATM 2597 O O . HOH F 5 . ? 20.739 36.215 21.353 1.00 64.50 ? 477 HOH A O 1 HETATM 2598 O O . HOH F 5 . ? 16.168 32.001 29.700 1.00 43.32 ? 478 HOH A O 1 HETATM 2599 O O . HOH F 5 . ? -3.009 13.631 30.638 0.75 37.80 ? 479 HOH A O 1 HETATM 2600 O O . HOH F 5 . ? 55.952 12.112 22.028 0.76 42.25 ? 480 HOH A O 1 HETATM 2601 O O . HOH F 5 . ? 11.750 33.950 1.278 0.72 29.39 ? 481 HOH A O 1 HETATM 2602 O O . HOH F 5 . ? 6.581 22.492 30.424 0.68 31.84 ? 482 HOH A O 1 HETATM 2603 O O . HOH F 5 . ? -1.555 8.643 27.872 1.00 31.40 ? 483 HOH A O 1 HETATM 2604 O O . HOH F 5 . ? 37.655 0.988 3.110 0.81 27.76 ? 484 HOH A O 1 HETATM 2605 O O . HOH F 5 . ? 48.152 15.026 11.158 0.92 27.61 ? 485 HOH A O 1 HETATM 2606 O O . HOH F 5 . ? 30.596 11.317 19.532 1.00 14.45 ? 486 HOH A O 1 HETATM 2607 O O . HOH F 5 . ? 28.166 5.574 31.783 0.70 23.30 ? 487 HOH A O 1 HETATM 2608 O O . HOH F 5 . ? 2.120 28.964 29.441 1.00 70.19 ? 488 HOH A O 1 HETATM 2609 O O . HOH F 5 . ? 46.987 12.258 5.884 0.86 30.16 ? 489 HOH A O 1 HETATM 2610 O O . HOH F 5 . ? 6.940 9.226 9.264 0.95 45.43 ? 490 HOH A O 1 HETATM 2611 O O . HOH F 5 . ? -1.803 -1.054 12.647 0.82 36.06 ? 491 HOH A O 1 HETATM 2612 O O . HOH F 5 . ? 43.110 -5.240 17.933 0.79 37.21 ? 492 HOH A O 1 HETATM 2613 O O . HOH F 5 . ? 11.774 6.536 30.238 1.00 34.72 ? 493 HOH A O 1 HETATM 2614 O O . HOH F 5 . ? 47.069 16.651 9.008 0.79 41.00 ? 494 HOH A O 1 HETATM 2615 O O . HOH F 5 . ? 20.381 2.353 11.597 0.84 49.83 ? 495 HOH A O 1 HETATM 2616 O O . HOH F 5 . ? 2.911 9.132 8.494 0.62 26.03 ? 496 HOH A O 1 HETATM 2617 O O . HOH F 5 . ? 34.519 -12.723 11.494 0.81 37.00 ? 497 HOH A O 1 HETATM 2618 O O . HOH F 5 . ? 26.328 1.884 30.354 1.00 76.98 ? 498 HOH A O 1 HETATM 2619 O O . HOH F 5 . ? 30.629 20.659 -1.594 0.90 38.20 ? 499 HOH A O 1 HETATM 2620 O O . HOH F 5 . ? 5.679 8.255 29.942 1.00 43.57 ? 500 HOH A O 1 HETATM 2621 O O . HOH F 5 . ? 21.497 7.262 30.157 0.96 40.88 ? 501 HOH A O 1 HETATM 2622 O O . HOH F 5 . ? 24.105 34.321 6.702 1.00 63.22 ? 502 HOH A O 1 HETATM 2623 O O . HOH F 5 . ? 3.973 32.058 15.173 0.85 27.15 ? 503 HOH A O 1 HETATM 2624 O O . HOH F 5 . ? 16.061 32.333 24.919 0.58 26.88 ? 504 HOH A O 1 HETATM 2625 O O . HOH F 5 . ? 28.224 0.289 27.361 0.96 37.22 ? 505 HOH A O 1 HETATM 2626 O O . HOH F 5 . ? 17.381 36.491 0.715 1.00 64.20 ? 506 HOH A O 1 HETATM 2627 O O . HOH F 5 . ? 28.735 31.942 25.404 0.55 35.99 ? 507 HOH A O 1 HETATM 2628 O O . HOH F 5 . ? -6.656 13.453 18.193 0.81 38.04 ? 508 HOH A O 1 HETATM 2629 O O . HOH F 5 . ? 32.172 28.964 21.113 0.83 71.54 ? 509 HOH A O 1 HETATM 2630 O O . HOH F 5 . ? -8.892 12.974 24.301 0.66 34.47 ? 510 HOH A O 1 HETATM 2631 O O . HOH F 5 . ? 0.184 21.919 30.737 1.00 50.35 ? 511 HOH A O 1 HETATM 2632 O O . HOH F 5 . ? 16.780 4.735 17.146 0.97 50.83 ? 512 HOH A O 1 HETATM 2633 O O . HOH F 5 . ? 36.573 24.733 0.451 0.84 52.50 ? 513 HOH A O 1 HETATM 2634 O O . HOH F 5 . ? 37.024 21.670 -2.323 0.72 38.15 ? 514 HOH A O 1 HETATM 2635 O O . HOH F 5 . ? 24.869 26.827 -3.624 1.00 69.97 ? 515 HOH A O 1 HETATM 2636 O O . HOH F 5 . ? 25.611 27.438 34.647 1.00 50.30 ? 516 HOH A O 1 HETATM 2637 O O . HOH F 5 . ? 23.308 33.397 10.736 0.88 35.14 ? 517 HOH A O 1 HETATM 2638 O O . HOH F 5 . ? 19.171 0.002 7.126 0.67 39.48 ? 518 HOH A O 1 HETATM 2639 O O . HOH F 5 . ? 8.688 4.966 8.110 0.80 31.94 ? 519 HOH A O 1 HETATM 2640 O O . HOH F 5 . ? 41.026 13.872 3.826 0.70 30.80 ? 520 HOH A O 1 HETATM 2641 O O . HOH F 5 . ? 41.843 9.416 -1.762 1.00 45.36 ? 521 HOH A O 1 HETATM 2642 O O . HOH F 5 . ? 42.649 -9.657 15.208 1.00 60.08 ? 522 HOH A O 1 HETATM 2643 O O . HOH F 5 . ? 30.190 -10.332 11.184 0.52 32.26 ? 523 HOH A O 1 HETATM 2644 O O . HOH F 5 . ? 34.270 9.980 29.890 0.37 23.88 ? 524 HOH A O 1 HETATM 2645 O O . HOH F 5 . ? 30.473 -8.499 4.661 1.00 74.93 ? 525 HOH A O 1 HETATM 2646 O O . HOH F 5 . ? 32.494 -10.456 4.283 0.90 46.04 ? 526 HOH A O 1 HETATM 2647 O O . HOH F 5 . ? 34.635 -2.614 -0.034 0.62 53.81 ? 527 HOH A O 1 HETATM 2648 O O . HOH F 5 . ? 53.543 2.232 9.191 0.83 40.79 ? 528 HOH A O 1 HETATM 2649 O O . HOH F 5 . ? 50.672 15.864 22.429 0.93 44.03 ? 529 HOH A O 1 HETATM 2650 O O . HOH F 5 . ? 53.122 12.210 20.873 0.88 34.47 ? 530 HOH A O 1 HETATM 2651 O O . HOH F 5 . ? 45.610 3.863 27.668 0.70 83.14 ? 531 HOH A O 1 HETATM 2652 O O . HOH F 5 . ? 46.795 5.635 24.776 0.64 28.30 ? 532 HOH A O 1 HETATM 2653 O O . HOH F 5 . ? 19.946 9.572 29.851 0.90 42.69 ? 533 HOH A O 1 HETATM 2654 O O . HOH F 5 . ? 19.700 1.248 21.700 1.00 43.72 ? 534 HOH A O 1 HETATM 2655 O O . HOH F 5 . ? 21.290 -1.030 19.901 0.81 50.34 ? 535 HOH A O 1 HETATM 2656 O O . HOH F 5 . ? 48.432 15.691 5.913 0.81 59.35 ? 536 HOH A O 1 HETATM 2657 O O . HOH F 5 . ? 38.552 26.555 17.443 0.66 44.87 ? 537 HOH A O 1 HETATM 2658 O O . HOH F 5 . ? 29.747 34.623 19.871 0.84 34.25 ? 538 HOH A O 1 HETATM 2659 O O . HOH F 5 . ? 27.937 -3.305 26.211 1.00 55.65 ? 539 HOH A O 1 HETATM 2660 O O . HOH F 5 . ? 27.496 -8.431 19.721 1.00 44.64 ? 540 HOH A O 1 HETATM 2661 O O . HOH F 5 . ? 25.936 -8.693 17.750 0.92 53.96 ? 541 HOH A O 1 HETATM 2662 O O . HOH F 5 . ? 26.785 -9.534 21.843 1.00 53.31 ? 542 HOH A O 1 HETATM 2663 O O . HOH F 5 . ? 21.362 -9.540 13.697 0.88 50.68 ? 543 HOH A O 1 HETATM 2664 O O . HOH F 5 . ? 18.972 -10.153 14.508 0.40 36.14 ? 544 HOH A O 1 HETATM 2665 O O . HOH F 5 . ? 27.879 15.759 27.793 1.00 40.55 ? 545 HOH A O 1 HETATM 2666 O O . HOH F 5 . ? 12.130 -0.269 26.407 0.86 56.66 ? 546 HOH A O 1 HETATM 2667 O O . HOH F 5 . ? 13.404 1.209 13.764 0.88 52.46 ? 547 HOH A O 1 HETATM 2668 O O . HOH F 5 . ? 41.370 22.981 23.023 0.94 63.52 ? 548 HOH A O 1 HETATM 2669 O O . HOH F 5 . ? 39.568 26.507 19.721 0.73 32.88 ? 549 HOH A O 1 HETATM 2670 O O . HOH F 5 . ? 40.434 24.990 26.041 1.00 60.71 ? 550 HOH A O 1 HETATM 2671 O O . HOH F 5 . ? 9.587 4.390 26.512 0.67 38.79 ? 551 HOH A O 1 HETATM 2672 O O . HOH F 5 . ? 4.841 -3.570 13.716 1.00 40.00 ? 552 HOH A O 1 HETATM 2673 O O . HOH F 5 . ? 45.468 21.397 23.547 1.00 58.62 ? 553 HOH A O 1 HETATM 2674 O O . HOH F 5 . ? 38.280 29.128 15.756 0.54 31.97 ? 554 HOH A O 1 HETATM 2675 O O . HOH F 5 . ? 38.919 34.203 1.515 0.86 44.07 ? 555 HOH A O 1 HETATM 2676 O O . HOH F 5 . ? 14.252 21.461 2.380 0.97 44.82 ? 556 HOH A O 1 HETATM 2677 O O . HOH F 5 . ? 20.726 16.208 -0.928 0.67 35.29 ? 557 HOH A O 1 HETATM 2678 O O . HOH F 5 . ? 20.423 23.489 -3.091 0.64 31.03 ? 558 HOH A O 1 HETATM 2679 O O . HOH F 5 . ? 7.598 24.881 3.768 0.79 26.72 ? 559 HOH A O 1 HETATM 2680 O O . HOH F 5 . ? 12.320 35.993 10.888 0.66 42.21 ? 560 HOH A O 1 HETATM 2681 O O . HOH F 5 . ? 9.024 37.064 21.445 1.00 59.65 ? 561 HOH A O 1 HETATM 2682 O O . HOH F 5 . ? 30.965 21.492 -5.497 1.00 59.69 ? 562 HOH A O 1 HETATM 2683 O O . HOH F 5 . ? 18.881 37.669 25.743 1.00 46.33 ? 563 HOH A O 1 HETATM 2684 O O . HOH F 5 . ? -4.758 23.832 26.398 1.00 36.19 ? 564 HOH A O 1 HETATM 2685 O O . HOH F 5 . ? 14.335 4.213 18.258 0.97 59.25 ? 565 HOH A O 1 HETATM 2686 O O . HOH F 5 . ? -4.299 15.999 29.744 0.63 30.61 ? 566 HOH A O 1 HETATM 2687 O O . HOH F 5 . ? 22.613 34.106 0.706 0.86 55.36 ? 567 HOH A O 1 HETATM 2688 O O . HOH F 5 . ? 19.818 37.233 3.627 1.00 59.56 ? 568 HOH A O 1 HETATM 2689 O O . HOH F 5 . ? 15.735 4.131 20.270 1.00 72.04 ? 569 HOH A O 1 HETATM 2690 O O . HOH F 5 . ? 33.467 32.461 21.362 0.55 44.85 ? 570 HOH A O 1 HETATM 2691 O O . HOH F 5 . ? 8.652 34.797 6.903 1.00 40.38 ? 571 HOH A O 1 HETATM 2692 O O . HOH F 5 . ? 20.569 39.714 2.222 0.79 45.63 ? 572 HOH A O 1 HETATM 2693 O O . HOH F 5 . ? 32.072 -0.066 2.490 0.87 34.27 ? 573 HOH A O 1 HETATM 2694 O O . HOH F 5 . ? 47.819 -1.970 10.374 1.00 56.67 ? 574 HOH A O 1 HETATM 2695 O O . HOH F 5 . ? 4.755 28.427 6.481 0.94 60.05 ? 575 HOH A O 1 HETATM 2696 O O . HOH F 5 . ? -4.933 -0.020 7.253 0.72 54.61 ? 576 HOH A O 1 HETATM 2697 O O . HOH F 5 . ? 22.676 28.785 32.351 1.00 67.22 ? 577 HOH A O 1 HETATM 2698 O O . HOH F 5 . ? 32.250 32.807 15.790 1.00 36.51 ? 578 HOH A O 1 HETATM 2699 O O . HOH F 5 . ? 9.652 11.507 2.249 0.89 56.69 ? 579 HOH A O 1 HETATM 2700 O O . HOH F 5 . ? 22.815 9.371 -0.991 1.00 43.66 ? 580 HOH A O 1 HETATM 2701 O O . HOH F 5 . ? 23.388 31.025 -1.007 0.98 49.09 ? 581 HOH A O 1 HETATM 2702 O O . HOH F 5 . ? 22.976 34.602 3.885 1.00 64.14 ? 582 HOH A O 1 HETATM 2703 O O . HOH F 5 . ? 15.948 19.733 -4.082 0.95 51.15 ? 583 HOH A O 1 HETATM 2704 O O . HOH F 5 . ? 10.835 37.906 19.438 1.00 80.12 ? 584 HOH A O 1 HETATM 2705 O O . HOH F 5 . ? 19.941 35.370 24.838 1.00 66.13 ? 585 HOH A O 1 HETATM 2706 O O . HOH F 5 . ? -8.925 16.648 22.297 0.70 27.90 ? 586 HOH A O 1 HETATM 2707 O O . HOH F 5 . ? 8.094 19.981 29.870 0.95 40.06 ? 587 HOH A O 1 HETATM 2708 O O . HOH F 5 . ? 12.190 15.586 32.911 0.96 22.07 ? 588 HOH A O 1 HETATM 2709 O O . HOH F 5 . ? 2.746 11.434 33.116 0.43 25.37 ? 589 HOH A O 1 HETATM 2710 O O . HOH F 5 . ? -0.596 15.473 32.193 1.00 47.90 ? 590 HOH A O 1 HETATM 2711 O O . HOH F 5 . ? -6.946 9.578 17.824 1.00 45.69 ? 591 HOH A O 1 HETATM 2712 O O . HOH F 5 . ? -8.201 8.560 22.678 0.92 75.55 ? 592 HOH A O 1 HETATM 2713 O O . HOH F 5 . ? 13.741 -1.166 22.076 0.84 47.34 ? 593 HOH A O 1 HETATM 2714 O O . HOH F 5 . ? 1.494 21.626 9.523 1.00 51.21 ? 594 HOH A O 1 HETATM 2715 O O . HOH F 5 . ? 13.417 6.403 24.719 1.00 51.81 ? 595 HOH A O 1 HETATM 2716 O O . HOH F 5 . ? 18.683 22.544 -5.129 0.65 35.19 ? 596 HOH A O 1 HETATM 2717 O O . HOH F 5 . ? -7.484 9.248 14.265 0.97 54.21 ? 597 HOH A O 1 HETATM 2718 O O . HOH F 5 . ? 3.861 13.365 35.085 1.00 66.02 ? 598 HOH A O 1 HETATM 2719 O O . HOH F 5 . ? 8.965 34.765 13.247 0.52 28.98 ? 599 HOH A O 1 HETATM 2720 O O . HOH F 5 . ? 5.019 -10.073 16.734 0.67 48.88 ? 600 HOH A O 1 HETATM 2721 O O . HOH F 5 . ? 25.457 -7.283 26.246 1.00 81.68 ? 601 HOH A O 1 HETATM 2722 O O . HOH F 5 . ? 40.081 26.267 0.745 0.90 58.42 ? 602 HOH A O 1 HETATM 2723 O O . HOH F 5 . ? 39.427 -5.427 7.486 0.64 44.23 ? 603 HOH A O 1 HETATM 2724 O O . HOH F 5 . ? 41.707 -1.883 6.412 0.82 47.57 ? 604 HOH A O 1 HETATM 2725 O O . HOH F 5 . ? 4.107 19.951 5.909 0.61 40.36 ? 605 HOH A O 1 HETATM 2726 O O . HOH F 5 . ? 3.006 20.063 31.024 1.00 55.37 ? 606 HOH A O 1 HETATM 2727 O O . HOH F 5 . ? 23.434 -7.500 13.940 0.95 94.79 ? 607 HOH A O 1 HETATM 2728 O O . HOH F 5 . ? 18.925 -11.301 18.809 0.47 23.76 ? 608 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 ALA 1 1 1 ALA ALA A . n A 1 2 ALA 2 2 2 ALA ALA A . n A 1 3 SER 3 3 3 SER SER A . n A 1 4 GLY 4 4 4 GLY GLY A . n A 1 5 VAL 5 5 5 VAL VAL A . n A 1 6 ALA 6 6 6 ALA ALA A . n A 1 7 THR 7 7 7 THR THR A . n A 1 8 ASN 8 8 8 ASN ASN A . n A 1 9 THR 9 9 9 THR THR A . n A 1 10 PRO 10 10 10 PRO PRO A . n A 1 11 THR 11 11 11 THR THR A . n A 1 12 ALA 12 12 12 ALA ALA A . n A 1 13 ASN 13 13 13 ASN ASN A . n A 1 14 ASP 14 14 14 ASP ASP A . n A 1 15 GLU 15 15 15 GLU GLU A . n A 1 16 GLU 16 16 16 GLU GLU A . n A 1 17 TYR 17 17 17 TYR TYR A . n A 1 18 ILE 18 18 18 ILE ILE A . n A 1 19 THR 19 19 19 THR THR A . n A 1 20 PRO 20 20 20 PRO PRO A . n A 1 21 VAL 21 21 21 VAL VAL A . n A 1 22 THR 22 22 22 THR THR A . n A 1 23 ILE 23 23 23 ILE ILE A . n A 1 24 GLY 24 24 24 GLY GLY A . n A 1 25 GLY 25 25 25 GLY GLY A . n A 1 26 THR 26 26 26 THR THR A . n A 1 27 THR 27 27 27 THR THR A . n A 1 28 LEU 28 28 28 LEU LEU A . n A 1 29 ASN 29 29 29 ASN ASN A . n A 1 30 LEU 30 30 30 LEU LEU A . n A 1 31 ASN 31 31 31 ASN ASN A . n A 1 32 PHE 32 32 32 PHE PHE A . n A 1 33 ASP 33 33 33 ASP ASP A . n A 1 34 THR 34 34 34 THR THR A . n A 1 35 GLY 35 35 35 GLY GLY A . n A 1 36 SER 36 36 36 SER SER A . n A 1 37 ALA 37 37 37 ALA ALA A . n A 1 38 ASP 38 38 38 ASP ASP A . n A 1 39 LEU 39 39 39 LEU LEU A . n A 1 40 TRP 40 40 40 TRP TRP A . n A 1 41 VAL 41 41 41 VAL VAL A . n A 1 42 PHE 42 42 42 PHE PHE A . n A 1 43 SER 43 43 43 SER SER A . n A 1 44 THR 44 44 44 THR THR A . n A 1 45 GLU 45 45 45 GLU GLU A . n A 1 46 LEU 46 46 46 LEU LEU A . n A 1 47 PRO 47 47 47 PRO PRO A . n A 1 48 ALA 48 48 48 ALA ALA A . n A 1 49 SER 49 49 49 SER SER A . n A 1 50 GLN 50 50 50 GLN GLN A . n A 1 51 GLN 51 51 51 GLN GLN A . n A 1 52 SER 52 52 52 SER SER A . n A 1 53 GLY 53 53 53 GLY GLY A . n A 1 54 HIS 54 54 54 HIS HIS A . n A 1 55 SER 55 55 55 SER SER A . n A 1 56 VAL 56 56 56 VAL VAL A . n A 1 57 TYR 57 57 57 TYR TYR A . n A 1 58 ASN 58 58 58 ASN ASN A . n A 1 59 PRO 59 59 59 PRO PRO A . n A 1 60 SER 60 60 60 SER SER A . n A 1 61 ALA 61 61 61 ALA ALA A . n A 1 62 THR 62 62 62 THR THR A . n A 1 63 GLY 63 63 63 GLY GLY A . n A 1 64 LYS 64 64 64 LYS LYS A . n A 1 65 GLU 65 65 65 GLU GLU A . n A 1 66 LEU 66 66 66 LEU LEU A . n A 1 67 SER 67 67 67 SER SER A . n A 1 68 GLY 68 68 68 GLY GLY A . n A 1 69 TYR 69 69 69 TYR TYR A . n A 1 70 THR 70 70 70 THR THR A . n A 1 71 TRP 71 71 71 TRP TRP A . n A 1 72 SER 72 72 72 SER SER A . n A 1 73 ILE 73 73 73 ILE ILE A . n A 1 74 SER 74 74 74 SER SER A . n A 1 75 TYR 75 75 75 TYR TYR A . n A 1 76 GLY 76 76 76 GLY GLY A . n A 1 77 ASP 77 77 77 ASP ASP A . n A 1 78 GLY 78 78 78 GLY GLY A . n A 1 79 SER 79 79 79 SER SER A . n A 1 80 SER 80 80 80 SER SER A . n A 1 81 ALA 81 81 81 ALA ALA A . n A 1 82 SER 82 82 82 SER SER A . n A 1 83 GLY 83 83 83 GLY GLY A . n A 1 84 ASN 84 84 84 ASN ASN A . n A 1 85 VAL 85 85 85 VAL VAL A . n A 1 86 PHE 86 86 86 PHE PHE A . n A 1 87 THR 87 87 87 THR THR A . n A 1 88 ASP 88 88 88 ASP ASP A . n A 1 89 SER 89 89 89 SER SER A . n A 1 90 VAL 90 90 90 VAL VAL A . n A 1 91 THR 91 91 91 THR THR A . n A 1 92 VAL 92 92 92 VAL VAL A . n A 1 93 GLY 93 93 93 GLY GLY A . n A 1 94 GLY 94 94 94 GLY GLY A . n A 1 95 VAL 95 95 95 VAL VAL A . n A 1 96 THR 96 96 96 THR THR A . n A 1 97 ALA 97 97 97 ALA ALA A . n A 1 98 HIS 98 98 98 HIS HIS A . n A 1 99 GLY 99 99 99 GLY GLY A . n A 1 100 GLN 100 100 100 GLN GLN A . n A 1 101 ALA 101 101 101 ALA ALA A . n A 1 102 VAL 102 102 102 VAL VAL A . n A 1 103 GLN 103 103 103 GLN GLN A . n A 1 104 ALA 104 104 104 ALA ALA A . n A 1 105 ALA 105 105 105 ALA ALA A . n A 1 106 GLN 106 106 106 GLN GLN A . n A 1 107 GLN 107 107 107 GLN GLN A . n A 1 108 ILE 108 108 108 ILE ILE A . n A 1 109 SER 109 109 109 SER SER A . n A 1 110 ALA 110 110 110 ALA ALA A . n A 1 111 GLN 111 111 111 GLN GLN A . n A 1 112 PHE 112 112 112 PHE PHE A . n A 1 113 GLN 113 113 113 GLN GLN A . n A 1 114 GLN 114 114 114 GLN GLN A . n A 1 115 ASP 115 115 115 ASP ASP A . n A 1 116 THR 116 116 116 THR THR A . n A 1 117 ASN 117 117 117 ASN ASN A . n A 1 118 ASN 118 118 118 ASN ASN A . n A 1 119 ASP 119 119 119 ASP ASP A . n A 1 120 GLY 120 120 120 GLY GLY A . n A 1 121 LEU 121 121 121 LEU LEU A . n A 1 122 LEU 122 122 122 LEU LEU A . n A 1 123 GLY 123 123 123 GLY GLY A . n A 1 124 LEU 124 124 124 LEU LEU A . n A 1 125 ALA 125 125 125 ALA ALA A . n A 1 126 PHE 126 126 126 PHE PHE A . n A 1 127 SER 127 127 127 SER SER A . n A 1 128 SER 128 128 128 SER SER A . n A 1 129 ILE 129 129 129 ILE ILE A . n A 1 130 ASN 130 130 130 ASN ASN A . n A 1 131 THR 131 131 131 THR THR A . n A 1 132 VAL 132 132 132 VAL VAL A . n A 1 133 GLN 133 133 133 GLN GLN A . n A 1 134 PRO 134 134 134 PRO PRO A . n A 1 135 GLN 135 135 135 GLN GLN A . n A 1 136 SER 136 136 136 SER SER A . n A 1 137 GLN 137 137 137 GLN GLN A . n A 1 138 THR 138 138 138 THR THR A . n A 1 139 THR 139 139 139 THR THR A . n A 1 140 PHE 140 140 140 PHE PHE A . n A 1 141 PHE 141 141 141 PHE PHE A . n A 1 142 ASP 142 142 142 ASP ASP A . n A 1 143 THR 143 143 143 THR THR A . n A 1 144 VAL 144 144 144 VAL VAL A . n A 1 145 LYS 145 145 145 LYS LYS A . n A 1 146 SER 146 146 146 SER SER A . n A 1 147 SER 147 147 147 SER SER A . n A 1 148 LEU 148 148 148 LEU LEU A . n A 1 149 ALA 149 149 149 ALA ALA A . n A 1 150 GLN 150 150 150 GLN GLN A . n A 1 151 PRO 151 151 151 PRO PRO A . n A 1 152 LEU 152 152 152 LEU LEU A . n A 1 153 PHE 153 153 153 PHE PHE A . n A 1 154 ALA 154 154 154 ALA ALA A . n A 1 155 VAL 155 155 155 VAL VAL A . n A 1 156 ALA 156 156 156 ALA ALA A . n A 1 157 LEU 157 157 157 LEU LEU A . n A 1 158 LYS 158 158 158 LYS LYS A . n A 1 159 HIS 159 159 159 HIS HIS A . n A 1 160 GLN 160 160 160 GLN GLN A . n A 1 161 GLN 161 161 161 GLN GLN A . n A 1 162 PRO 162 162 162 PRO PRO A . n A 1 163 GLY 163 163 163 GLY GLY A . n A 1 164 VAL 164 164 164 VAL VAL A . n A 1 165 TYR 165 165 165 TYR TYR A . n A 1 166 ASP 166 166 166 ASP ASP A . n A 1 167 PHE 167 167 167 PHE PHE A . n A 1 168 GLY 168 168 168 GLY GLY A . n A 1 169 PHE 169 169 169 PHE PHE A . n A 1 170 ILE 170 170 170 ILE ILE A . n A 1 171 ASP 171 171 171 ASP ASP A . n A 1 172 SER 172 172 172 SER SER A . n A 1 173 SER 173 173 173 SER SER A . n A 1 174 LYS 174 174 174 LYS LYS A . n A 1 175 TYR 175 175 175 TYR TYR A . n A 1 176 THR 176 176 176 THR THR A . n A 1 177 GLY 177 177 177 GLY GLY A . n A 1 178 SER 178 178 178 SER SER A . n A 1 179 LEU 179 179 179 LEU LEU A . n A 1 180 THR 180 180 180 THR THR A . n A 1 181 TYR 181 181 181 TYR TYR A . n A 1 182 THR 182 182 182 THR THR A . n A 1 183 GLY 183 183 183 GLY GLY A . n A 1 184 VAL 184 184 184 VAL VAL A . n A 1 185 ASP 185 185 185 ASP ASP A . n A 1 186 ASN 186 186 186 ASN ASN A . n A 1 187 SER 187 187 187 SER SER A . n A 1 188 GLN 188 188 188 GLN GLN A . n A 1 189 GLY 189 189 189 GLY GLY A . n A 1 190 PHE 190 190 190 PHE PHE A . n A 1 191 TRP 191 191 191 TRP TRP A . n A 1 192 SER 192 192 192 SER SER A . n A 1 193 PHE 193 193 193 PHE PHE A . n A 1 194 ASN 194 194 194 ASN ASN A . n A 1 195 VAL 195 195 195 VAL VAL A . n A 1 196 ASP 196 196 196 ASP ASP A . n A 1 197 SER 197 197 197 SER SER A . n A 1 198 TYR 198 198 198 TYR TYR A . n A 1 199 THR 199 199 199 THR THR A . n A 1 200 ALA 200 200 200 ALA ALA A . n A 1 201 GLY 201 201 201 GLY GLY A . n A 1 202 SER 202 202 202 SER SER A . n A 1 203 GLN 203 203 203 GLN GLN A . n A 1 204 SER 204 204 204 SER SER A . n A 1 205 GLY 205 205 205 GLY GLY A . n A 1 206 ASP 206 206 206 ASP ASP A . n A 1 207 GLY 207 207 207 GLY GLY A . n A 1 208 PHE 208 208 208 PHE PHE A . n A 1 209 SER 209 209 209 SER SER A . n A 1 210 GLY 210 210 210 GLY GLY A . n A 1 211 ILE 211 211 211 ILE ILE A . n A 1 212 ALA 212 212 212 ALA ALA A . n A 1 213 ASP 213 213 213 ASP ASP A . n A 1 214 THR 214 214 214 THR THR A . n A 1 215 GLY 215 215 215 GLY GLY A . n A 1 216 THR 216 216 216 THR THR A . n A 1 217 THR 217 217 217 THR THR A . n A 1 218 LEU 218 218 218 LEU LEU A . n A 1 219 LEU 219 219 219 LEU LEU A . n A 1 220 LEU 220 220 220 LEU LEU A . n A 1 221 LEU 221 221 221 LEU LEU A . n A 1 222 ASP 222 222 222 ASP ASP A . n A 1 223 ASP 223 223 223 ASP ASP A . n A 1 224 SER 224 224 224 SER SER A . n A 1 225 VAL 225 225 225 VAL VAL A . n A 1 226 VAL 226 226 226 VAL VAL A . n A 1 227 SER 227 227 227 SER SER A . n A 1 228 GLN 228 228 228 GLN GLN A . n A 1 229 TYR 229 229 229 TYR TYR A . n A 1 230 TYR 230 230 230 TYR TYR A . n A 1 231 SER 231 231 231 SER SER A . n A 1 232 GLN 232 232 232 GLN GLN A . n A 1 233 VAL 233 233 233 VAL VAL A . n A 1 234 SER 234 234 234 SER SER A . n A 1 235 GLY 235 235 235 GLY GLY A . n A 1 236 ALA 236 236 236 ALA ALA A . n A 1 237 GLN 237 237 237 GLN GLN A . n A 1 238 GLN 238 238 238 GLN GLN A . n A 1 239 ASP 239 239 239 ASP ASP A . n A 1 240 SER 240 240 240 SER SER A . n A 1 241 ASN 241 241 241 ASN ASN A . n A 1 242 ALA 242 242 242 ALA ALA A . n A 1 243 GLY 243 243 243 GLY GLY A . n A 1 244 GLY 244 244 244 GLY GLY A . n A 1 245 TYR 245 245 245 TYR TYR A . n A 1 246 VAL 246 246 246 VAL VAL A . n A 1 247 PHE 247 247 247 PHE PHE A . n A 1 248 ASP 248 248 248 ASP ASP A . n A 1 249 CYS 249 249 249 CYS CYS A . n A 1 250 SER 250 250 250 SER SER A . n A 1 251 THR 251 251 251 THR THR A . n A 1 252 ASN 252 252 252 ASN ASN A . n A 1 253 LEU 253 253 253 LEU LEU A . n A 1 254 PRO 254 254 254 PRO PRO A . n A 1 255 ASP 255 255 255 ASP ASP A . n A 1 256 PHE 256 256 256 PHE PHE A . n A 1 257 SER 257 257 257 SER SER A . n A 1 258 VAL 258 258 258 VAL VAL A . n A 1 259 SER 259 259 259 SER SER A . n A 1 260 ILE 260 260 260 ILE ILE A . n A 1 261 SER 261 261 261 SER SER A . n A 1 262 GLY 262 262 262 GLY GLY A . n A 1 263 TYR 263 263 263 TYR TYR A . n A 1 264 THR 264 264 264 THR THR A . n A 1 265 ALA 265 265 265 ALA ALA A . n A 1 266 THR 266 266 266 THR THR A . n A 1 267 VAL 267 267 267 VAL VAL A . n A 1 268 PRO 268 268 268 PRO PRO A . n A 1 269 GLY 269 269 269 GLY GLY A . n A 1 270 SER 270 270 270 SER SER A . n A 1 271 LEU 271 271 271 LEU LEU A . n A 1 272 ILE 272 272 272 ILE ILE A . n A 1 273 ASN 273 273 273 ASN ASN A . n A 1 274 TYR 274 274 274 TYR TYR A . n A 1 275 GLY 275 275 275 GLY GLY A . n A 1 276 PRO 276 276 276 PRO PRO A . n A 1 277 SER 277 277 277 SER SER A . n A 1 278 GLY 278 278 278 GLY GLY A . n A 1 279 ASP 279 279 279 ASP ASP A . n A 1 280 GLY 280 280 280 GLY GLY A . n A 1 281 SER 281 281 281 SER SER A . n A 1 282 THR 282 282 282 THR THR A . n A 1 283 CYS 283 283 283 CYS CYS A . n A 1 284 LEU 284 284 284 LEU LEU A . n A 1 285 GLY 285 285 285 GLY GLY A . n A 1 286 GLY 286 286 286 GLY GLY A . n A 1 287 ILE 287 287 287 ILE ILE A . n A 1 288 GLN 288 288 288 GLN GLN A . n A 1 289 SER 289 289 289 SER SER A . n A 1 290 ASN 290 290 290 ASN ASN A . n A 1 291 SER 291 291 291 SER SER A . n A 1 292 GLY 292 292 292 GLY GLY A . n A 1 293 ILE 293 293 293 ILE ILE A . n A 1 294 GLY 294 294 294 GLY GLY A . n A 1 295 PHE 295 295 295 PHE PHE A . n A 1 296 SER 296 296 296 SER SER A . n A 1 297 ILE 297 297 297 ILE ILE A . n A 1 298 PHE 298 298 298 PHE PHE A . n A 1 299 GLY 299 299 299 GLY GLY A . n A 1 300 ASP 300 300 300 ASP ASP A . n A 1 301 ILE 301 301 301 ILE ILE A . n A 1 302 PHE 302 302 302 PHE PHE A . n A 1 303 LEU 303 303 303 LEU LEU A . n A 1 304 LYS 304 304 304 LYS LYS A . n A 1 305 SER 305 305 305 SER SER A . n A 1 306 GLN 306 306 306 GLN GLN A . n A 1 307 TYR 307 307 307 TYR TYR A . n A 1 308 VAL 308 308 308 VAL VAL A . n A 1 309 VAL 309 309 309 VAL VAL A . n A 1 310 PHE 310 310 310 PHE PHE A . n A 1 311 ASP 311 311 311 ASP ASP A . n A 1 312 SER 312 312 312 SER SER A . n A 1 313 ASP 313 313 313 ASP ASP A . n A 1 314 GLY 314 314 314 GLY GLY A . n A 1 315 PRO 315 315 315 PRO PRO A . n A 1 316 GLN 316 316 316 GLN GLN A . n A 1 317 LEU 317 317 317 LEU LEU A . n A 1 318 GLY 318 318 318 GLY GLY A . n A 1 319 PHE 319 319 319 PHE PHE A . n A 1 320 ALA 320 320 320 ALA ALA A . n A 1 321 PRO 321 321 321 PRO PRO A . n A 1 322 GLN 322 322 322 GLN GLN A . n A 1 323 ALA 323 323 323 ALA ALA A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 MAN 1 324 324 MAN MAN A . C 2 MAN 1 325 325 MAN MAN A . D 3 SO4 1 326 282 SO4 SO4 A . E 4 PP6 1 327 326 PP6 PP6 A . F 5 HOH 1 328 1 HOH HOH A . F 5 HOH 2 329 2 HOH HOH A . F 5 HOH 3 330 3 HOH HOH A . F 5 HOH 4 331 4 HOH HOH A . F 5 HOH 5 332 5 HOH HOH A . F 5 HOH 6 333 6 HOH HOH A . F 5 HOH 7 334 7 HOH HOH A . F 5 HOH 8 335 8 HOH HOH A . F 5 HOH 9 336 9 HOH HOH A . F 5 HOH 10 337 10 HOH HOH A . F 5 HOH 11 338 11 HOH HOH A . F 5 HOH 12 339 12 HOH HOH A . F 5 HOH 13 340 13 HOH HOH A . F 5 HOH 14 341 14 HOH HOH A . F 5 HOH 15 342 15 HOH HOH A . F 5 HOH 16 343 16 HOH HOH A . F 5 HOH 17 344 17 HOH HOH A . F 5 HOH 18 345 18 HOH HOH A . F 5 HOH 19 346 19 HOH HOH A . F 5 HOH 20 347 20 HOH HOH A . F 5 HOH 21 348 21 HOH HOH A . F 5 HOH 22 349 22 HOH HOH A . F 5 HOH 23 350 23 HOH HOH A . F 5 HOH 24 351 24 HOH HOH A . F 5 HOH 25 352 25 HOH HOH A . F 5 HOH 26 353 26 HOH HOH A . F 5 HOH 27 354 27 HOH HOH A . F 5 HOH 28 355 28 HOH HOH A . F 5 HOH 29 356 29 HOH HOH A . F 5 HOH 30 357 30 HOH HOH A . F 5 HOH 31 358 31 HOH HOH A . F 5 HOH 32 359 32 HOH HOH A . F 5 HOH 33 360 33 HOH HOH A . F 5 HOH 34 361 34 HOH HOH A . F 5 HOH 35 362 35 HOH HOH A . F 5 HOH 36 363 36 HOH HOH A . F 5 HOH 37 364 37 HOH HOH A . F 5 HOH 38 365 38 HOH HOH A . F 5 HOH 39 366 39 HOH HOH A . F 5 HOH 40 367 40 HOH HOH A . F 5 HOH 41 368 41 HOH HOH A . F 5 HOH 42 369 42 HOH HOH A . F 5 HOH 43 370 43 HOH HOH A . F 5 HOH 44 371 44 HOH HOH A . F 5 HOH 45 372 45 HOH HOH A . F 5 HOH 46 373 46 HOH HOH A . F 5 HOH 47 374 47 HOH HOH A . F 5 HOH 48 375 48 HOH HOH A . F 5 HOH 49 376 49 HOH HOH A . F 5 HOH 50 377 50 HOH HOH A . F 5 HOH 51 378 51 HOH HOH A . F 5 HOH 52 379 52 HOH HOH A . F 5 HOH 53 380 53 HOH HOH A . F 5 HOH 54 381 54 HOH HOH A . F 5 HOH 55 382 55 HOH HOH A . F 5 HOH 56 383 56 HOH HOH A . F 5 HOH 57 384 57 HOH HOH A . F 5 HOH 58 385 58 HOH HOH A . F 5 HOH 59 386 59 HOH HOH A . F 5 HOH 60 387 60 HOH HOH A . F 5 HOH 61 388 61 HOH HOH A . F 5 HOH 62 389 62 HOH HOH A . F 5 HOH 63 390 63 HOH HOH A . F 5 HOH 64 391 64 HOH HOH A . F 5 HOH 65 392 65 HOH HOH A . F 5 HOH 66 393 66 HOH HOH A . F 5 HOH 67 394 67 HOH HOH A . F 5 HOH 68 395 68 HOH HOH A . F 5 HOH 69 396 69 HOH HOH A . F 5 HOH 70 397 70 HOH HOH A . F 5 HOH 71 398 71 HOH HOH A . F 5 HOH 72 399 72 HOH HOH A . F 5 HOH 73 400 73 HOH HOH A . F 5 HOH 74 401 74 HOH HOH A . F 5 HOH 75 402 75 HOH HOH A . F 5 HOH 76 403 76 HOH HOH A . F 5 HOH 77 404 77 HOH HOH A . F 5 HOH 78 405 78 HOH HOH A . F 5 HOH 79 406 79 HOH HOH A . F 5 HOH 80 407 80 HOH HOH A . F 5 HOH 81 408 81 HOH HOH A . F 5 HOH 82 409 82 HOH HOH A . F 5 HOH 83 410 83 HOH HOH A . F 5 HOH 84 411 84 HOH HOH A . F 5 HOH 85 412 85 HOH HOH A . F 5 HOH 86 413 86 HOH HOH A . F 5 HOH 87 414 87 HOH HOH A . F 5 HOH 88 415 88 HOH HOH A . F 5 HOH 89 416 89 HOH HOH A . F 5 HOH 90 417 90 HOH HOH A . F 5 HOH 91 418 91 HOH HOH A . F 5 HOH 92 419 92 HOH HOH A . F 5 HOH 93 420 93 HOH HOH A . F 5 HOH 94 421 94 HOH HOH A . F 5 HOH 95 422 95 HOH HOH A . F 5 HOH 96 423 96 HOH HOH A . F 5 HOH 97 424 97 HOH HOH A . F 5 HOH 98 425 98 HOH HOH A . F 5 HOH 99 426 99 HOH HOH A . F 5 HOH 100 427 100 HOH HOH A . F 5 HOH 101 428 101 HOH HOH A . F 5 HOH 102 429 102 HOH HOH A . F 5 HOH 103 430 103 HOH HOH A . F 5 HOH 104 431 104 HOH HOH A . F 5 HOH 105 432 105 HOH HOH A . F 5 HOH 106 433 106 HOH HOH A . F 5 HOH 107 434 107 HOH HOH A . F 5 HOH 108 435 108 HOH HOH A . F 5 HOH 109 436 109 HOH HOH A . F 5 HOH 110 437 110 HOH HOH A . F 5 HOH 111 438 111 HOH HOH A . F 5 HOH 112 439 112 HOH HOH A . F 5 HOH 113 440 113 HOH HOH A . F 5 HOH 114 441 114 HOH HOH A . F 5 HOH 115 442 115 HOH HOH A . F 5 HOH 116 443 116 HOH HOH A . F 5 HOH 117 444 117 HOH HOH A . F 5 HOH 118 445 118 HOH HOH A . F 5 HOH 119 446 119 HOH HOH A . F 5 HOH 120 447 120 HOH HOH A . F 5 HOH 121 448 121 HOH HOH A . F 5 HOH 122 449 122 HOH HOH A . F 5 HOH 123 450 123 HOH HOH A . F 5 HOH 124 451 124 HOH HOH A . F 5 HOH 125 452 125 HOH HOH A . F 5 HOH 126 453 126 HOH HOH A . F 5 HOH 127 454 127 HOH HOH A . F 5 HOH 128 455 128 HOH HOH A . F 5 HOH 129 456 129 HOH HOH A . F 5 HOH 130 457 130 HOH HOH A . F 5 HOH 131 458 131 HOH HOH A . F 5 HOH 132 459 132 HOH HOH A . F 5 HOH 133 460 133 HOH HOH A . F 5 HOH 134 461 134 HOH HOH A . F 5 HOH 135 462 135 HOH HOH A . F 5 HOH 136 463 136 HOH HOH A . F 5 HOH 137 464 137 HOH HOH A . F 5 HOH 138 465 138 HOH HOH A . F 5 HOH 139 466 139 HOH HOH A . F 5 HOH 140 467 140 HOH HOH A . F 5 HOH 141 468 141 HOH HOH A . F 5 HOH 142 469 142 HOH HOH A . F 5 HOH 143 470 143 HOH HOH A . F 5 HOH 144 471 144 HOH HOH A . F 5 HOH 145 472 145 HOH HOH A . F 5 HOH 146 473 146 HOH HOH A . F 5 HOH 147 474 147 HOH HOH A . F 5 HOH 148 475 148 HOH HOH A . F 5 HOH 149 476 149 HOH HOH A . F 5 HOH 150 477 150 HOH HOH A . F 5 HOH 151 478 151 HOH HOH A . F 5 HOH 152 479 152 HOH HOH A . F 5 HOH 153 480 153 HOH HOH A . F 5 HOH 154 481 154 HOH HOH A . F 5 HOH 155 482 155 HOH HOH A . F 5 HOH 156 483 156 HOH HOH A . F 5 HOH 157 484 157 HOH HOH A . F 5 HOH 158 485 158 HOH HOH A . F 5 HOH 159 486 159 HOH HOH A . F 5 HOH 160 487 160 HOH HOH A . F 5 HOH 161 488 161 HOH HOH A . F 5 HOH 162 489 162 HOH HOH A . F 5 HOH 163 490 163 HOH HOH A . F 5 HOH 164 491 164 HOH HOH A . F 5 HOH 165 492 165 HOH HOH A . F 5 HOH 166 493 166 HOH HOH A . F 5 HOH 167 494 167 HOH HOH A . F 5 HOH 168 495 168 HOH HOH A . F 5 HOH 169 496 169 HOH HOH A . F 5 HOH 170 497 170 HOH HOH A . F 5 HOH 171 498 171 HOH HOH A . F 5 HOH 172 499 172 HOH HOH A . F 5 HOH 173 500 173 HOH HOH A . F 5 HOH 174 501 174 HOH HOH A . F 5 HOH 175 502 175 HOH HOH A . F 5 HOH 176 503 176 HOH HOH A . F 5 HOH 177 504 177 HOH HOH A . F 5 HOH 178 505 178 HOH HOH A . F 5 HOH 179 506 179 HOH HOH A . F 5 HOH 180 507 180 HOH HOH A . F 5 HOH 181 508 181 HOH HOH A . F 5 HOH 182 509 182 HOH HOH A . F 5 HOH 183 510 183 HOH HOH A . F 5 HOH 184 511 184 HOH HOH A . F 5 HOH 185 512 185 HOH HOH A . F 5 HOH 186 513 186 HOH HOH A . F 5 HOH 187 514 187 HOH HOH A . F 5 HOH 188 515 188 HOH HOH A . F 5 HOH 189 516 189 HOH HOH A . F 5 HOH 190 517 190 HOH HOH A . F 5 HOH 191 518 191 HOH HOH A . F 5 HOH 192 519 192 HOH HOH A . F 5 HOH 193 520 193 HOH HOH A . F 5 HOH 194 521 194 HOH HOH A . F 5 HOH 195 522 195 HOH HOH A . F 5 HOH 196 523 196 HOH HOH A . F 5 HOH 197 524 197 HOH HOH A . F 5 HOH 198 525 198 HOH HOH A . F 5 HOH 199 526 199 HOH HOH A . F 5 HOH 200 527 200 HOH HOH A . F 5 HOH 201 528 201 HOH HOH A . F 5 HOH 202 529 202 HOH HOH A . F 5 HOH 203 530 203 HOH HOH A . F 5 HOH 204 531 204 HOH HOH A . F 5 HOH 205 532 205 HOH HOH A . F 5 HOH 206 533 206 HOH HOH A . F 5 HOH 207 534 207 HOH HOH A . F 5 HOH 208 535 208 HOH HOH A . F 5 HOH 209 536 209 HOH HOH A . F 5 HOH 210 537 210 HOH HOH A . F 5 HOH 211 538 211 HOH HOH A . F 5 HOH 212 539 212 HOH HOH A . F 5 HOH 213 540 213 HOH HOH A . F 5 HOH 214 541 214 HOH HOH A . F 5 HOH 215 542 215 HOH HOH A . F 5 HOH 216 543 216 HOH HOH A . F 5 HOH 217 544 217 HOH HOH A . F 5 HOH 218 545 218 HOH HOH A . F 5 HOH 219 546 219 HOH HOH A . F 5 HOH 220 547 220 HOH HOH A . F 5 HOH 221 548 221 HOH HOH A . F 5 HOH 222 549 222 HOH HOH A . F 5 HOH 223 550 223 HOH HOH A . F 5 HOH 224 551 224 HOH HOH A . F 5 HOH 225 552 225 HOH HOH A . F 5 HOH 226 553 226 HOH HOH A . F 5 HOH 227 554 227 HOH HOH A . F 5 HOH 228 555 228 HOH HOH A . F 5 HOH 229 556 229 HOH HOH A . F 5 HOH 230 557 230 HOH HOH A . F 5 HOH 231 558 231 HOH HOH A . F 5 HOH 232 559 232 HOH HOH A . F 5 HOH 233 560 233 HOH HOH A . F 5 HOH 234 561 234 HOH HOH A . F 5 HOH 235 562 235 HOH HOH A . F 5 HOH 236 563 236 HOH HOH A . F 5 HOH 237 564 237 HOH HOH A . F 5 HOH 238 565 238 HOH HOH A . F 5 HOH 239 566 239 HOH HOH A . F 5 HOH 240 567 240 HOH HOH A . F 5 HOH 241 568 241 HOH HOH A . F 5 HOH 242 569 242 HOH HOH A . F 5 HOH 243 570 243 HOH HOH A . F 5 HOH 244 571 244 HOH HOH A . F 5 HOH 245 572 245 HOH HOH A . F 5 HOH 246 573 246 HOH HOH A . F 5 HOH 247 574 247 HOH HOH A . F 5 HOH 248 575 248 HOH HOH A . F 5 HOH 249 576 249 HOH HOH A . F 5 HOH 250 577 250 HOH HOH A . F 5 HOH 251 578 251 HOH HOH A . F 5 HOH 252 579 252 HOH HOH A . F 5 HOH 253 580 253 HOH HOH A . F 5 HOH 254 581 254 HOH HOH A . F 5 HOH 255 582 255 HOH HOH A . F 5 HOH 256 583 256 HOH HOH A . F 5 HOH 257 584 257 HOH HOH A . F 5 HOH 258 585 258 HOH HOH A . F 5 HOH 259 586 259 HOH HOH A . F 5 HOH 260 587 260 HOH HOH A . F 5 HOH 261 588 261 HOH HOH A . F 5 HOH 262 589 262 HOH HOH A . F 5 HOH 263 590 263 HOH HOH A . F 5 HOH 264 591 264 HOH HOH A . F 5 HOH 265 592 265 HOH HOH A . F 5 HOH 266 593 266 HOH HOH A . F 5 HOH 267 594 267 HOH HOH A . F 5 HOH 268 595 268 HOH HOH A . F 5 HOH 269 596 269 HOH HOH A . F 5 HOH 270 597 270 HOH HOH A . F 5 HOH 271 598 271 HOH HOH A . F 5 HOH 272 599 272 HOH HOH A . F 5 HOH 273 600 273 HOH HOH A . F 5 HOH 274 601 274 HOH HOH A . F 5 HOH 275 602 275 HOH HOH A . F 5 HOH 276 603 276 HOH HOH A . F 5 HOH 277 604 277 HOH HOH A . F 5 HOH 278 605 278 HOH HOH A . F 5 HOH 279 606 279 HOH HOH A . F 5 HOH 280 607 280 HOH HOH A . F 5 HOH 281 608 281 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A SER 3 A SER 3 ? SER 'GLYCOSYLATION SITE' 2 A THR 7 A THR 7 ? THR 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details dimeric _pdbx_struct_assembly.oligomeric_count 2 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 2_656 -x+1,y,-z+1 -1.0000000000 0.0000000000 0.0000000000 68.5427097861 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 59.7791895471 # _pdbx_struct_special_symmetry.id 1 _pdbx_struct_special_symmetry.PDB_model_num 1 _pdbx_struct_special_symmetry.auth_asym_id A _pdbx_struct_special_symmetry.auth_comp_id HOH _pdbx_struct_special_symmetry.auth_seq_id 524 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id F _pdbx_struct_special_symmetry.label_comp_id HOH _pdbx_struct_special_symmetry.label_seq_id . # 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 1998-05-27 2 'Structure model' 1 1 2008-03-25 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2018-04-04 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Version format compliance' 3 4 'Structure model' 'Data collection' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 4 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category diffrn_source # _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 '_diffrn_source.type' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal DENZO 'data reduction' . ? 1 SCALEPACK 'data scaling' . ? 2 X-PLOR 'model building' . ? 3 TNT refinement 5E ? 4 X-PLOR refinement . ? 5 X-PLOR phasing . ? 6 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASN A 13 ? ? 59.21 19.98 2 1 THR A 62 ? ? -142.82 -15.00 3 1 ASP A 279 ? ? -168.89 106.36 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 ALPHA-D-MANNOSE MAN 3 'SULFATE ION' SO4 4 ;METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE] ; PP6 5 water HOH #